A0A3Q0KQI1_SCHMA Loading...

Calponin-homology (CH) domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KQI1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 724 aa.

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

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M52.6Low81.1Confident229 Ų22986.7 Ų86.7100%1.12843%0.43SS*.  0148.70-76179.3169.200108.4
2P73.9Confident81.5Confident49 Ų4981.3 Ų81.332%0.31840%0.401SS..  trans-62.9143.5167.628.3-34.3000109.8D69P2-D69 CarbonylContact C-O 3.59Å; P2-D69 VanDerWaalsContact CA-O 3.3Å; P2-D69 WeakPolarHBondContact CA-O 3.32Å; P2-D69 HydrophobicContact CB-CB 4.35Å
3M83.8Confident81.8Confident14 Ų1475 Ų757%0.06937%0.37CS..  trans-62.1133.8170.3-160.9-176.4-179.700108.9L54 E57 M58 D69 A71 V74M3-L54 HydrophobicContact CE-CB 3.76Å; M3-L54 HydrophobicContact CE-CD2 3.77Å; M3-L54 HydrophobicContact CE-CG 4.38Å; M3-L54 WeakPolarHBondContact CE-O 3.4Å; M3-E57 HydrophobicContact CE-CB 4.17Å; M3-M58 HydrophobicContact CE-CE 3.77Å; M3-M58 HydrophobicContact CE-CG 3.95Å; M3-M58 HydrophobicContact SD-CE 4.25Å; M3-M58 HydrophobicContact SD-CG 4.04Å; M3-D69 PolarHBondContact N-O 3.2Å; M3-A71 HydrophobicContact SD-CB 3.96Å; M3-V74 HydrophobicContact CB-CG2 4.3Å; M3-V74 HydrophobicContact CE-CB 4.44Å; M3-V74 HydrophobicContact CE-CG1 3.84Å; M3-V74 HydrophobicContact CG-CB 4.48Å; M3-V74 HydrophobicContact CG-CG2 4.07Å; M3-V74 HydrophobicContact SD-CB 4.09Å; M3-V74 HydrophobicContact SD-CG1 4.15Å; M3-V74 HydrophobicContact SD-CG2 4.31Å
4R85.2Confident82Confident193 Ų19377 Ų7773%0.72838%0.383SS*.  trans-139.2151.6179.6-69.1-177.1178.8176.7-0.2109.1P6R4-P6 WeakPolarHBondContact O-CD 3.39Å
5I84.6Confident82Confident26 Ų2674.3 Ų74.313%0.13338%0.375CS..  trans-79122.1178.5-42.8-175.2000107.7I9 Q10 V74 W77I5-I9 HydrophobicContact CG2-CB 4.41Å; I5-I9 HydrophobicContact CG2-CG2 4.08Å; I5-Q10 HydrophobicContact CB-CG 4.02Å; I5-Q10 HydrophobicContact CG2-CG 3.69Å; I5-V74 HydrophobicContact CG1-CB 4.45Å; I5-V74 HydrophobicContact CG1-CG1 4.18Å; I5-V74 HydrophobicContact CG1-CG2 3.9Å; I5-W77 HydrophobicContact CD1-CB 3.63Å; I5-W77 HydrophobicContact CD1-CD2 3.22Å; I5-W77 HydrophobicContact CD1-CE3 3.41Å; I5-W77 VanDerWaalsContact CD1-CE3 3.41Å; I5-W77 HydrophobicContact CD1-CG 3.35Å; I5-W77 HydrophobicContact CD1-CZ3 4.13Å; I5-W77 HydrophobicContact CG2-CE3 4.21Å; I5-W77 HydrophobicContact CG2-CH2 4.25Å; I5-W77 HydrophobicContact CG2-CZ3 3.91Å
6P86.1Confident82.1Confident54 Ų5469.8 Ų69.835%0.35135%0.352SS..  trans-57.4137.5174.9-25.335.7000111.3R4 P8 I9 Q10 L54R4-P6 WeakPolarHBondContact O-CD 3.39Å; P6-P8 VanDerWaalsContact C-CD 3.43Å; P6-P8 VanDerWaalsContact C-N 3.34Å; P6-I9 HydrophobicContact CB-CD1 4.3Å; P6-I9 HydrophobicContact CG-CD1 4.06Å; P6-I9 PolarHBondContact O-N 2.98Å; P6-I9 VanDerWaalsContact O-N 3.11Å; P6-Q10 PolarHBondContact O-N 3.29Å; P6-L54 HydrophobicContact CG-CD1 4.16Å; P6-L54 HydrophobicContact CG-CD2 4.44Å
7Q85.8Confident82.1Confident138 Ų13867 Ų6765%0.64534%0.337SS*.Hα-helixtrans-56.4-37.4-178.6-166-179.6-5.700113.9I9 Q10 I11Q7-I9 VanDerWaalsContact C-N 3.34Å; Q7-I9 PolarHBondContact O-N 3.19Å; Q7-Q10 PolarHBondContact O-N 2.99Å; Q7-I11 HydrophobicContact CG-CD1 3.98Å; Q7-I11 HydrophobicContact CG-CG1 4.44Å; Q7-I11 WeakPolarHBondContact O-CG1 3.35Å; Q7-I11 PolarHBondContact O-N 3.37Å
8P85.6Confident82Confident78 Ų7872.3 Ų72.351%0.50635%0.354SS..Hα-helixtrans-58.5-42174.7-26.636.5000113.4P6 I11 W12 L47P6-P8 VanDerWaalsContact C-CD 3.43Å; P6-P8 VanDerWaalsContact C-N 3.34Å; P8-I11 PolarHBondContact O-N 3.38Å; P8-W12 WeakPolarHBondContact O-CB 3.31Å; P8-W12 PolarHBondContact O-N 2.84Å; P8-L47 HydrophobicContact CB-CD2 3.85Å
9I85Confident81.6Confident5 Ų568.7 Ų68.73%0.02634%0.336CS..Hα-helixtrans-66.2-39.9177.9-68.7169.2000110.5I5 P6 Q7 W12 F13 L47 I51 L54 W77I5-I9 HydrophobicContact CG2-CB 4.41Å; I5-I9 HydrophobicContact CG2-CG2 4.08Å; P6-I9 HydrophobicContact CB-CD1 4.3Å; P6-I9 HydrophobicContact CG-CD1 4.06Å; P6-I9 PolarHBondContact O-N 2.98Å; P6-I9 VanDerWaalsContact O-N 3.11Å; Q7-I9 VanDerWaalsContact C-N 3.34Å; Q7-I9 PolarHBondContact O-N 3.19Å; I9-W12 PolarHBondContact O-N 3.45Å; I9-F13 HydrophobicContact CG2-CD2 3.74Å; I9-F13 HydrophobicContact CG2-CE2 3.81Å; I9-F13 WeakPolarHBondContact O-CD2 3.4Å; I9-F13 PolarHBondContact O-N 3.22Å; I9-L47 HydrophobicContact CG1-CD2 4.06Å; I9-I51 HydrophobicContact CD1-CG1 3.98Å; I9-I51 HydrophobicContact CG1-CG1 4.29Å; I9-I51 HydrophobicContact CG2-CD1 4.21Å; I9-I51 HydrophobicContact CG2-CG1 3.86Å; I9-L54 HydrophobicContact CD1-CD1 3.7Å; I9-W77 HydrophobicContact CG2-CZ3 4.3Å
10Q85.3Confident81.2Confident76 Ų7666.3 Ų66.336%0.35532%0.323SS..Hα-helixtrans-62.7-44.9175-65.8-174.9-23.600112.5I5 P6 Q7 N14 W77I5-Q10 HydrophobicContact CB-CG 4.02Å; I5-Q10 HydrophobicContact CG2-CG 3.69Å; P6-Q10 PolarHBondContact O-N 3.29Å; Q7-Q10 PolarHBondContact O-N 2.99Å; Q10-N14 PolarHBondContact O-N 3.4Å; Q10-N14 VanDerWaalsContact O-N 3.11Å; Q10-N14 PolarHBondContact O-ND2 3.11Å; Q10-N14 VanDerWaalsContact O-ND2 3.16Å; Q10-W77 HydrophobicContact CG-CH2 4.25Å; Q10-W77 HydrophobicContact CG-CZ2 4.17Å
11I84.5Confident81Confident92 Ų9269.7 Ų69.747%0.47234%0.336SS..Hα-helixtrans-63.1-45.7178.2-67.8166.4000110.1Q7 P8 N14 S15Q7-I11 HydrophobicContact CG-CD1 3.98Å; Q7-I11 HydrophobicContact CG-CG1 4.44Å; Q7-I11 WeakPolarHBondContact O-CG1 3.35Å; Q7-I11 PolarHBondContact O-N 3.37Å; P8-I11 PolarHBondContact O-N 3.38Å; I11-N14 WeakPolarHBondContact O-CB 3.49Å; I11-N14 PolarHBondContact O-N 3.42Å; I11-S15 PolarHBondContact O-N 3.1Å; I11-S15 PolarHBondContact O-OG 2.96Å
12W85.4Confident82Confident21 Ų2161.4 Ų61.48%0.0829%0.294CS..Hα-helixtrans-62.9-46.3-179.7-176.170.7000113.1P8 I9 N14 S15 L16 D42 L47 I48 I51 I117P8-W12 WeakPolarHBondContact O-CB 3.31Å; P8-W12 PolarHBondContact O-N 2.84Å; I9-W12 PolarHBondContact O-N 3.45Å; W12-N14 VanDerWaalsContact C-N 3.29Å; W12-N14 PolarHBondContact O-N 3.29Å; W12-S15 WeakPolarHBondContact O-CB 3.46Å; W12-S15 PolarHBondContact O-N 3.42Å; W12-S15 VanDerWaalsContact O-N 3.15Å; W12-L16 HydrophobicContact CD2-CD1 3.79Å; W12-L16 HydrophobicContact CD2-CG 4.45Å; W12-L16 HydrophobicContact CE3-CD1 3.86Å; W12-L16 HydrophobicContact CH2-CD1 3.9Å; W12-L16 HydrophobicContact CZ2-CD1 3.82Å; W12-L16 HydrophobicContact CZ3-CD1 3.91Å; W12-L16 WeakPolarHBondContact O-CG 3.33Å; W12-L16 PolarHBondContact O-N 3.42Å; W12-D42 PolarHBondContact NE1-O 3.18Å; W12-L47 HydrophobicContact CB-CD1 3.58Å; W12-L47 HydrophobicContact CD2-CB 4.28Å; W12-L47 HydrophobicContact CD2-CD1 3.79Å; W12-L47 HydrophobicContact CE3-CB 4.31Å; W12-L47 HydrophobicContact CE3-CD1 4.49Å; W12-L47 HydrophobicContact CG-CD1 3.38Å; W12-I48 HydrophobicContact CH2-CD1 4.31Å; W12-I48 HydrophobicContact CH2-CG1 3.77Å; W12-I48 HydrophobicContact CZ2-CG1 4.41Å; W12-I51 HydrophobicContact CE3-CD1 4.28Å; W12-I51 HydrophobicContact CZ3-CD1 3.69Å; W12-I117 HydrophobicContact CH2-CD1 3.95Å; W12-I117 HydrophobicContact CH2-CG1 4.4Å; W12-I117 HydrophobicContact CH2-CG2 3.84Å; W12-I117 HydrophobicContact CZ2-CD1 4.04Å; W12-I117 HydrophobicContact CZ3-CG2 4.34Å
13F85.2Confident81.7Confident0 Ų059.9 Ų59.90%028%0.283CS..Hα-helixtrans-60.7-37.6173.3-88.1-67.9000112.6I9 L16 H17 I51 W77 N81 L82 L85I9-F13 HydrophobicContact CG2-CD2 3.74Å; I9-F13 HydrophobicContact CG2-CE2 3.81Å; I9-F13 WeakPolarHBondContact O-CD2 3.4Å; I9-F13 PolarHBondContact O-N 3.22Å; F13-L16 PolarHBondContact O-N 3.2Å; F13-H17 PolarHBondContact O-CD2 3.41Å; F13-H17 PolarHBondContact O-N 3.31Å; F13-I51 HydrophobicContact CE2-CD1 3.53Å; F13-I51 HydrophobicContact CE2-CG1 4.25Å; F13-I51 HydrophobicContact CZ-CD1 3.8Å; F13-W77 HydrophobicContact CB-CH2 3.84Å; F13-W77 HydrophobicContact CB-CZ2 4.5Å; F13-W77 AromaticContact CD2-CH2 3.46Å; F13-W77 HydrophobicContact CD2-CH2 3.46Å; F13-W77 VanDerWaalsContact CD2-CH2 3.46Å; F13-W77 AromaticContact CD2-CZ3 3.44Å; F13-W77 HydrophobicContact CD2-CZ3 3.44Å; F13-W77 VanDerWaalsContact CD2-CZ3 3.44Å; F13-W77 HydrophobicContact CE2-CH2 4.27Å; F13-W77 AromaticContact CE2-CZ3 3.77Å; F13-W77 HydrophobicContact CE2-CZ3 3.77Å; F13-W77 AromaticContact CG-CH2 3.91Å; F13-W77 HydrophobicContact CG-CH2 3.91Å; F13-W77 HydrophobicContact CG-CZ3 4.19Å; F13-N81 HydrophobicContact CD1-CB 3.64Å; F13-N81 HydrophobicContact CE1-CB 3.63Å; F13-N81 HydrophobicContact CG-CB 4.14Å; F13-N81 HydrophobicContact CZ-CB 4.13Å; F13-L82 HydrophobicContact CE1-CD2 4.05Å; F13-L82 HydrophobicContact CZ-CD2 3.96Å; F13-L82 HydrophobicContact CZ-CG 4.4Å; F13-L85 HydrophobicContact CD1-CD1 4.01Å; F13-L85 HydrophobicContact CE1-CD1 3.7Å; F13-L85 HydrophobicContact CE1-CG 4.48Å
14N84.9Confident81Confident103 Ų10362.6 Ų62.655%0.55130%0.296SS*.Hα-helixtrans-63.2-41.8174.6-71.3-27.7000111.9Q10 I11 W12 H17 Y18Q10-N14 PolarHBondContact O-N 3.4Å; Q10-N14 VanDerWaalsContact O-N 3.11Å; Q10-N14 PolarHBondContact O-ND2 3.11Å; Q10-N14 VanDerWaalsContact O-ND2 3.16Å; I11-N14 WeakPolarHBondContact O-CB 3.49Å; I11-N14 PolarHBondContact O-N 3.42Å; W12-N14 VanDerWaalsContact C-N 3.29Å; W12-N14 PolarHBondContact O-N 3.29Å; N14-H17 PolarHBondContact O-N 2.83Å; N14-Y18 WeakPolarHBondContact O-CB 3.45Å; N14-Y18 PolarHBondContact O-N 3.44Å
15S82.2Confident80.1Confident37 Ų3757.3 Ų57.326%0.25929%0.288SS..Hα-helixtrans-61.6-47.2173.6-61.80000111.9I11 W12 H17 Y18 Y19I11-S15 PolarHBondContact O-N 3.1Å; I11-S15 PolarHBondContact O-OG 2.96Å; W12-S15 WeakPolarHBondContact O-CB 3.46Å; W12-S15 PolarHBondContact O-N 3.42Å; W12-S15 VanDerWaalsContact O-N 3.15Å; S15-H17 PolarHBondContact O-N 3.1Å; S15-Y18 PolarHBondContact O-N 3Å; S15-Y19 VanDerWaalsContact O-CB 3.28Å; S15-Y19 WeakPolarHBondContact O-CB 3.43Å; S15-Y19 PolarHBondContact O-N 3.22Å
16L82.9Confident78.8Confident1 Ų158.2 Ų58.21%0.00529%0.292CS..Hα-helixtrans-61.2-41.4177.2-69174000112.3W12 F13 Y19 R20 I41 L85 I117W12-L16 HydrophobicContact CD2-CD1 3.79Å; W12-L16 HydrophobicContact CD2-CG 4.45Å; W12-L16 HydrophobicContact CE3-CD1 3.86Å; W12-L16 HydrophobicContact CH2-CD1 3.9Å; W12-L16 HydrophobicContact CZ2-CD1 3.82Å; W12-L16 HydrophobicContact CZ3-CD1 3.91Å; W12-L16 WeakPolarHBondContact O-CG 3.33Å; W12-L16 PolarHBondContact O-N 3.42Å; F13-L16 PolarHBondContact O-N 3.2Å; L16-Y19 PolarHBondContact O-N 3.35Å; L16-R20 VanDerWaalsContact O-CB 3.31Å; L16-R20 WeakPolarHBondContact O-CB 3.29Å; L16-R20 PolarHBondContact O-N 3Å; L16-I41 HydrophobicContact CD2-CG2 4.36Å; L16-L85 HydrophobicContact CB-CD1 4.49Å; L16-L85 HydrophobicContact CB-CD2 3.9Å; L16-L85 HydrophobicContact CD1-CD1 3.86Å; L16-I117 HydrophobicContact CD1-CD1 3.79Å; L16-I117 HydrophobicContact CD2-CD1 4.18Å
17H82.8Confident77.1Confident23 Ų2361.5 Ų61.511%0.10631%0.306CS..Hα-helixtrans-70.4-37.1176.3-73.6-50.3000113.2F13 N14 S15 Y19 K21 N81 L84F13-H17 PolarHBondContact O-CD2 3.41Å; F13-H17 PolarHBondContact O-N 3.31Å; N14-H17 PolarHBondContact O-N 2.83Å; S15-H17 PolarHBondContact O-N 3.1Å; H17-Y19 VanDerWaalsContact C-N 3.33Å; H17-K21 WeakPolarHBondContact O-CB 3.34Å; H17-K21 VanDerWaalsContact O-CG 3.26Å; H17-K21 WeakPolarHBondContact O-CG 3.19Å; H17-K21 PolarHBondContact O-N 3.33Å; H17-N81 PolarHBondContact CD2-OD1 2.97Å; H17-N81 PolarHBondContact NE2-OD1 3.04Å; H17-L84 VanDerWaalsContact CE1-CB 3.47Å; H17-L84 WeakPolarHBondContact CE1-CB 3.36Å
18Y80.3Confident75.1Confident163 Ų16360.5 Ų60.564%0.63931%0.305SS*.Hα-helixtrans-61-46.7171.9173.8-101.1000110.4N14 S15 K21 K22N14-Y18 WeakPolarHBondContact O-CB 3.45Å; N14-Y18 PolarHBondContact O-N 3.44Å; S15-Y18 PolarHBondContact O-N 3Å; Y18-K21 WeakPolarHBondContact O-CB 3.47Å; Y18-K21 PolarHBondContact O-N 3.49Å; Y18-K22 PolarHBondContact O-N 3.14Å
19Y74.2Confident73.2Confident4 Ų461.6 Ų61.62%0.01632%0.315CS..Hα-helixtrans-66.9-44.9-179.1-172-99.2000113S15 L16 H17 K21 K22 I23 D37 I41 L110 I114S15-Y19 VanDerWaalsContact O-CB 3.28Å; S15-Y19 WeakPolarHBondContact O-CB 3.43Å; S15-Y19 PolarHBondContact O-N 3.22Å; L16-Y19 PolarHBondContact O-N 3.35Å; H17-Y19 VanDerWaalsContact C-N 3.33Å; Y19-K21 VanDerWaalsContact C-N 3.31Å; Y19-K21 PolarHBondContact O-N 2.84Å; Y19-K22 WeakPolarHBondContact O-CB 3.25Å; Y19-K22 PolarHBondContact O-N 3.31Å; Y19-K22 VanDerWaalsContact O-N 3.13Å; Y19-I23 HydrophobicContact CD1-CD1 3.81Å; Y19-I23 HydrophobicContact CD1-CG1 4.47Å; Y19-I23 HydrophobicContact CE1-CD1 3.18Å; Y19-I23 HydrophobicContact CE1-CG1 3.96Å; Y19-I23 PolarHBondContact O-N 2.92Å; Y19-D37 HydrophobicContact CE2-CB 3.92Å; Y19-I41 HydrophobicContact CD1-CD1 3.9Å; Y19-I41 HydrophobicContact CD1-CG1 3.78Å; Y19-I41 HydrophobicContact CE1-CD1 3.18Å; Y19-I41 HydrophobicContact CE1-CG1 3.45Å; Y19-I41 VanDerWaalsContact CE1-CG1 3.45Å; Y19-I41 HydrophobicContact CG-CG1 4.44Å; Y19-L110 VanDerWaalsContact OH-CD1 3.31Å; Y19-L110 WeakPolarHBondContact OH-CD1 3.24Å; Y19-I114 HydrophobicContact CD1-CD1 3.97Å; Y19-I114 HydrophobicContact CE1-CD1 4.32Å
20R74.4Confident71.4Confident19 Ų1966.9 Ų66.97%0.07235%0.347CS..Hα-helixtrans-55-45.2170.7173.5175164.2-1092.6111.7L16 I23 Q24 L84 D87 I114L16-R20 VanDerWaalsContact O-CB 3.31Å; L16-R20 WeakPolarHBondContact O-CB 3.29Å; L16-R20 PolarHBondContact O-N 3Å; R20-I23 PolarHBondContact O-N 2.77Å; R20-Q24 WeakPolarHBondContact O-CB 3.44Å; R20-Q24 VanDerWaalsContact O-CG 3.31Å; R20-Q24 WeakPolarHBondContact O-CG 3.34Å; R20-Q24 PolarHBondContact O-N 3.39Å; R20-L84 PolarHBondContact NE-O 3Å; R20-L84 PolarHBondContact NH1-O 2.89Å; R20-L84 VanDerWaalsContact NH1-O 3.14Å; R20-L84 PolarHBondContact NH2-O 3.35Å; R20-D87 PolarHBondContact NH2-O 3.44Å; R20-I114 HydrophobicContact CB-CD1 4.45Å
21K77.3Confident69.6Low138 Ų13868.1 Ų68.160%0.636%0.356SS*.Hα-helixtrans-63.8-42.4175.8-76.6174.4-180179.20111.9H17 Y18 Y19 Q24 S25H17-K21 WeakPolarHBondContact O-CB 3.34Å; H17-K21 VanDerWaalsContact O-CG 3.26Å; H17-K21 WeakPolarHBondContact O-CG 3.19Å; H17-K21 PolarHBondContact O-N 3.33Å; Y18-K21 WeakPolarHBondContact O-CB 3.47Å; Y18-K21 PolarHBondContact O-N 3.49Å; Y19-K21 VanDerWaalsContact C-N 3.31Å; Y19-K21 PolarHBondContact O-N 2.84Å; K21-Q24 PolarHBondContact O-N 2.82Å; K21-S25 VanDerWaalsContact O-CB 3.31Å; K21-S25 WeakPolarHBondContact O-CB 3.26Å; K21-S25 PolarHBondContact O-N 3.06Å; K21-S25 PolarHBondContact O-OG 2.99Å; K21-S25 VanDerWaalsContact O-OG 3.14Å
22K71.9Confident67.8Low55 Ų5570.8 Ų70.824%0.23937%0.37CS..Hα-helixtrans-55.2-53.7175.9-167.1-173.3-175.3-168.70110.1Y18 Y19 Q24 S25 H26 D37Y18-K22 PolarHBondContact O-N 3.14Å; Y19-K22 WeakPolarHBondContact O-CB 3.25Å; Y19-K22 PolarHBondContact O-N 3.31Å; Y19-K22 VanDerWaalsContact O-N 3.13Å; K22-Q24 PolarHBondContact O-N 2.97Å; K22-S25 PolarHBondContact O-N 2.89Å; K22-S25 PolarHBondContact O-OG 3.47Å; K22-H26 PolarHBondContact O-CD2 3.38Å; K22-H26 PolarHBondContact O-N 3.12Å; K22-D37 IonicContact NZ-OD1 2.66Å; K22-D37 PolarHBondContact NZ-OD1 3.42Å; K22-D37 IonicContact NZ-OD2 3.87Å; K22-D37 PolarHBondContact NZ-OD2 3.23Å
23I69Low66.2Low17 Ų1771.2 Ų71.29%0.08737%0.374CS..Hα-helixtrans-57.6-49.5176.2-63.9168.2000111.4Y19 R20 S25 H26 L110 L111 I114Y19-I23 HydrophobicContact CD1-CD1 3.81Å; Y19-I23 HydrophobicContact CD1-CG1 4.47Å; Y19-I23 HydrophobicContact CE1-CD1 3.18Å; Y19-I23 HydrophobicContact CE1-CG1 3.96Å; Y19-I23 PolarHBondContact O-N 2.92Å; R20-I23 PolarHBondContact O-N 2.77Å; I23-S25 PolarHBondContact O-N 2.89Å; I23-H26 PolarHBondContact O-N 3.4Å; I23-L110 HydrophobicContact CD1-CB 4.13Å; I23-L111 HydrophobicContact CB-CD2 4.32Å; I23-L111 HydrophobicContact CD1-CD2 4.14Å; I23-L111 HydrophobicContact CD1-CG 4.39Å; I23-L111 HydrophobicContact CG2-CD1 3.94Å; I23-L111 HydrophobicContact CG2-CD2 3.9Å; I23-L111 HydrophobicContact CG2-CG 3.98Å; I23-I114 HydrophobicContact CD1-CD1 4.37Å
24Q68.4Low64.5Low72 Ų7275.9 Ų75.934%0.33640%0.399SS..Hα-helixtrans-66.5-19-177.5-74-180-20.100114.2R20 K21 K22R20-Q24 WeakPolarHBondContact O-CB 3.44Å; R20-Q24 VanDerWaalsContact O-CG 3.31Å; R20-Q24 WeakPolarHBondContact O-CG 3.34Å; R20-Q24 PolarHBondContact O-N 3.39Å; K21-Q24 PolarHBondContact O-N 2.82Å; K22-Q24 PolarHBondContact O-N 2.97Å
25S66.5Low62.9Low82 Ų8278 Ų7857%0.57340%0.403SS*.Hα-helixtrans-90.4-18.6-178.965.50000114.8K21 K22 I23 N27K21-S25 VanDerWaalsContact O-CB 3.31Å; K21-S25 WeakPolarHBondContact O-CB 3.26Å; K21-S25 PolarHBondContact O-N 3.06Å; K21-S25 PolarHBondContact O-OG 2.99Å; K21-S25 VanDerWaalsContact O-OG 3.14Å; K22-S25 PolarHBondContact O-N 2.89Å; K22-S25 PolarHBondContact O-OG 3.47Å; I23-S25 PolarHBondContact O-N 2.89Å; S25-N27 PolarHBondContact O-N 3.4Å
26H57.9Low61.3Low45 Ų4579.1 Ų79.121%0.20841%0.411CS..  trans-9375.2-171.7-73-52.9000113.3K22 I23 D28 L31 R107K22-H26 PolarHBondContact O-CD2 3.38Å; K22-H26 PolarHBondContact O-N 3.12Å; I23-H26 PolarHBondContact O-N 3.4Å; H26-D28 PolarHBondContact O-N 3.34Å; H26-L31 VanDerWaalsContact CE1-CD1 3.41Å; H26-L31 WeakPolarHBondContact CE1-CD1 3.49Å; H26-R107 PolarHBondContact O-NH1 2.71Å; H26-R107 PolarHBondContact O-NH2 3.42Å; H26-R107 VanDerWaalsContact O-NH2 3.17Å
27N50.7Low59.7Low122 Ų12280 Ų8065%0.65242%0.416SS*.  trans-68.3-15.3161.8-87.129.2000112.6S25 D93S25-N27 PolarHBondContact O-N 3.4Å; N27-D93 PolarHBondContact ND2-OD2 3.48Å
28D42.8Very low58.1Low118 Ų11882.7 Ų82.763%0.63143%0.429SS*.SBendtrans-82.9133.5174.2-67.4-41.2000112.5H26 T30 R107H26-D28 PolarHBondContact O-N 3.34Å; D28-T30 VanDerWaalsContact C-N 3.29Å; D28-T30 PolarHBondContact O-N 3.31Å; D28-R107 PolarHBondContact O-NH2 2.9Å
29S45.7Very low56.6Low100 Ų10082.2 Ų82.270%0.69943%0.43SS*.THydrogen-bonded Turntrans-84.39.5-171.348.10000114.9
30T47Very low55.4Low116 Ų11687.9 Ų87.971%0.71246%0.455SS*.THydrogen-bonded Turntrans-110.1-13.8-164.249.40000115.3D28 L32D28-T30 VanDerWaalsContact C-N 3.29Å; D28-T30 PolarHBondContact O-N 3.31Å; T30-L32 PolarHBondContact O-N 2.81Å
31L47.9Very low54.5Low102 Ų10288.1 Ų88.153%0.53446%0.457SS..  trans-89.6103.3169.8-88.2159.3000109.6H26 I33H26-L31 VanDerWaalsContact CE1-CD1 3.41Å; H26-L31 WeakPolarHBondContact CE1-CD1 3.49Å; L31-I33 PolarHBondContact O-N 2.87Å
32L46.6Very low53.5Low149 Ų14986.3 Ų86.378%0.7845%0.454SS*.  trans-45.5120.9155.9-82.8150.2000107.9T30 D34T30-L32 PolarHBondContact O-N 2.81Å; L32-D34 PolarHBondContact O-N 2.88Å
33I52.8Low53Low30 Ų3087.3 Ų87.315%0.15446%0.457CS..  trans-6698.7155.5-60.8171.1000103.1L31 D37 Y106 R107 L110L31-I33 PolarHBondContact O-N 2.87Å; I33-D37 HydrophobicContact CG2-CB 3.7Å; I33-Y106 HydrophobicContact CB-CE1 3.96Å; I33-Y106 HydrophobicContact CD1-CD1 4.05Å; I33-Y106 HydrophobicContact CD1-CE1 3.92Å; I33-Y106 HydrophobicContact CG2-CE1 3.88Å; I33-R107 HydrophobicContact CD1-CG 3.95Å; I33-L110 HydrophobicContact CD1-CD1 3.96Å
34D49.1Very low53Low98 Ų9889 Ų8952%0.52447%0.466SS..  trans-64.9146.5-176.2-173.817.9000108.1L32 S36 D37L32-D34 PolarHBondContact O-N 2.88Å; D34-S36 WeakPolarHBondContact CB-OG 3.35Å; D34-S36 VanDerWaalsContact CG-OG 3.28Å; D34-S36 PolarHBondContact O-N 3.35Å; D34-S36 PolarHBondContact OD2-OG 3.5Å; D34-D37 VanDerWaalsContact O-CB 3.3Å; D34-D37 WeakPolarHBondContact O-CB 3.45Å; D34-D37 PolarHBondContact O-N 2.9Å
35K51.4Low53.1Low146 Ų14689.2 Ų89.264%0.63547%0.474SS*.Hα-helixtrans-62.8-13.3-176.1-68.9-169.6173.5-165.40112.9D37 E38K35-D37 VanDerWaalsContact C-N 3.31Å; K35-E38 WeakPolarHBondContact O-CB 3.31Å; K35-E38 PolarHBondContact O-N 2.94Å
36S48.1Very low53.6Low61 Ų6190.4 Ų90.443%0.42747%0.473SS..Hα-helixtrans-64.6-28.5167.856.80000113.8D34 E38 K39D34-S36 WeakPolarHBondContact CB-OG 3.35Å; D34-S36 VanDerWaalsContact CG-OG 3.28Å; D34-S36 PolarHBondContact O-N 3.35Å; D34-S36 PolarHBondContact OD2-OG 3.5Å; S36-E38 VanDerWaalsContact C-N 3.34Å; S36-K39 PolarHBondContact O-N 2.91Å
37D49.2Very low54.9Low20 Ų2089.6 Ų89.611%0.10747%0.47CS..Hα-helixtrans-71.2-24.7174.5-81.1-29.9000112.5Y19 K22 I33 D34 K35 K39 F40Y19-D37 HydrophobicContact CE2-CB 3.92Å; K22-D37 IonicContact NZ-OD1 2.66Å; K22-D37 PolarHBondContact NZ-OD1 3.42Å; K22-D37 IonicContact NZ-OD2 3.87Å; K22-D37 PolarHBondContact NZ-OD2 3.23Å; I33-D37 HydrophobicContact CG2-CB 3.7Å; D34-D37 VanDerWaalsContact O-CB 3.3Å; D34-D37 WeakPolarHBondContact O-CB 3.45Å; D34-D37 PolarHBondContact O-N 2.9Å; K35-D37 VanDerWaalsContact C-N 3.31Å; D37-K39 VanDerWaalsContact C-N 3.25Å; D37-K39 PolarHBondContact O-N 3.27Å; D37-F40 WeakPolarHBondContact O-CB 3.37Å; D37-F40 PolarHBondContact O-N 3.11Å
38E48.5Very low56.4Low80 Ų8083.9 Ų83.937%0.37444%0.439SS..Hα-helixtrans-60.5-39.3175.2-65.7-177.2142.600110.6K35 S36 F40 I41 Y106K35-E38 WeakPolarHBondContact O-CB 3.31Å; K35-E38 PolarHBondContact O-N 2.94Å; S36-E38 VanDerWaalsContact C-N 3.34Å; E38-F40 PolarHBondContact O-N 3.41Å; E38-I41 CarbonylContact O-C 3.49Å; E38-I41 VanDerWaalsContact O-C 3.3Å; E38-I41 PolarHBondContact O-N 3.3Å; E38-Y106 WeakPolarHBondContact CG-OH 3.21Å; E38-Y106 WeakPolarHBondContact OE1-CE2 3.32Å; E38-Y106 PolarHBondContact OE1-OH 3.4Å
39K48.9Very low58.2Low153 Ų15378.8 Ų78.867%0.66542%0.415SS*.G310 helixtrans-65.2-15.7174.1-58-171.3175.7-1700114.1S36 D37 D42S36-K39 PolarHBondContact O-N 2.91Å; D37-K39 VanDerWaalsContact C-N 3.25Å; D37-K39 PolarHBondContact O-N 3.27Å; K39-D42 VanDerWaalsContact O-CG 3.27Å; K39-D42 PolarHBondContact O-N 3.34Å
40F48.6Very low60Low123 Ų12375 Ų7554%0.53939%0.392SS..G310 helixtrans-84.4-18.9173.4-86.4-83.2000112.9D37 E38 D42D37-F40 WeakPolarHBondContact O-CB 3.37Å; D37-F40 PolarHBondContact O-N 3.11Å; E38-F40 PolarHBondContact O-N 3.41Å; F40-D42 VanDerWaalsContact C-N 3.3Å
41I55.5Low62Low24 Ų2469.5 Ų69.512%0.12336%0.358CS..G310 helixtrans-99.744.2160.4-26.6174.9000109.8L16 Y19 E38 Y43 L110L16-I41 HydrophobicContact CD2-CG2 4.36Å; Y19-I41 HydrophobicContact CD1-CD1 3.9Å; Y19-I41 HydrophobicContact CD1-CG1 3.78Å; Y19-I41 HydrophobicContact CE1-CD1 3.18Å; Y19-I41 HydrophobicContact CE1-CG1 3.45Å; Y19-I41 VanDerWaalsContact CE1-CG1 3.45Å; Y19-I41 HydrophobicContact CG-CG1 4.44Å; E38-I41 CarbonylContact O-C 3.49Å; E38-I41 VanDerWaalsContact O-C 3.3Å; E38-I41 PolarHBondContact O-N 3.3Å; I41-Y43 PolarHBondContact O-N 3.13Å; I41-L110 HydrophobicContact CD1-CB 3.98Å; I41-L110 HydrophobicContact CD1-CD2 3.49Å; I41-L110 VanDerWaalsContact CD1-CD2 3.49Å; I41-L110 HydrophobicContact CD1-CG 4.26Å
42D56.3Low63.9Low100 Ų10064.6 Ų64.654%0.53533%0.332SS..  trans-61.493158.5-84.2-4.9000107.2W12 K39 F40 N44W12-D42 PolarHBondContact NE1-O 3.18Å; K39-D42 VanDerWaalsContact O-CG 3.27Å; K39-D42 PolarHBondContact O-N 3.34Å; F40-D42 VanDerWaalsContact C-N 3.3Å; D42-N44 WeakPolarHBondContact O-CB 3.42Å; D42-N44 PolarHBondContact O-N 2.82Å
43Y62.5Low65.7Low76 Ų7662 Ų6230%0.29832%0.319SS..  trans-51.7104.4162.8175.9-84.6000105.9I41 P45 I48 E120 S380I41-Y43 PolarHBondContact O-N 3.13Å; Y43-P45 HydrophobicContact CD1-CG 4.33Å; Y43-P45 HydrophobicContact CE1-CG 4.07Å; Y43-P45 WeakPolarHBondContact O-CD 3.29Å; Y43-I48 HydrophobicContact CD2-CD1 4.01Å; Y43-I48 HydrophobicContact CE1-CD1 4.06Å; Y43-I48 HydrophobicContact CE2-CD1 3.33Å; Y43-I48 VanDerWaalsContact OH-CD1 3.28Å; Y43-I48 WeakPolarHBondContact OH-CD1 3.36Å; Y43-E120 WeakPolarHBondContact CE2-OE2 3.39Å; Y43-E120 VanDerWaalsContact CZ-OE2 3.25Å; Y43-E120 PolarHBondContact OH-OE1 3.14Å; Y43-E120 PolarHBondContact OH-OE2 2.92Å; Y43-S380 VanDerWaalsContact OH-CB 3.28Å; Y43-S380 WeakPolarHBondContact OH-CB 3.42Å
44N69.7Low67.5Low53 Ų5361.3 Ų61.328%0.28332%0.316SS..  trans-109.6101.3-167.1-172.7-44.5000109D42 L46 L47 I48D42-N44 WeakPolarHBondContact O-CB 3.42Å; D42-N44 PolarHBondContact O-N 2.82Å; N44-L46 PolarHBondContact O-N 2.98Å; N44-L46 WeakPolarHBondContact OD1-CB 3.41Å; N44-L46 PolarHBondContact OD1-N 3.37Å; N44-L46 VanDerWaalsContact OD1-N 3.16Å; N44-L47 HydrophobicContact CB-CB 4.17Å; N44-L47 HydrophobicContact CB-CD1 3.96Å; N44-L47 HydrophobicContact CB-CG 4.11Å; N44-L47 PolarHBondContact O-N 3.43Å; N44-L47 VanDerWaalsContact O-N 3.09Å; N44-L47 PolarHBondContact OD1-N 2.95Å; N44-L47 VanDerWaalsContact OD1-N 3.16Å; N44-I48 PolarHBondContact O-N 2.84Å; N44-I48 VanDerWaalsContact O-N 3.12Å
45P70.6Confident69.4Low76 Ų7656.7 Ų56.749%0.49429%0.291SS..Hα-helixtrans-60.5-30.7-175.6-22.533.7000112.6Y43 I48 G49Y43-P45 HydrophobicContact CD1-CG 4.33Å; Y43-P45 HydrophobicContact CE1-CG 4.07Å; Y43-P45 WeakPolarHBondContact O-CD 3.29Å; P45-I48 PolarHBondContact O-N 2.92Å; P45-G49 PolarHBondContact O-N 3.15Å
46L76.9Confident71.2Confident107 Ų10751.3 Ų51.356%0.5627%0.269SS*.Hα-helixtrans-68-38178.2-56.9174.9000111.7N44 G50 E411N44-L46 PolarHBondContact O-N 2.98Å; N44-L46 WeakPolarHBondContact OD1-CB 3.41Å; N44-L46 PolarHBondContact OD1-N 3.37Å; N44-L46 VanDerWaalsContact OD1-N 3.16Å; L46-G50 PolarHBondContact O-N 3.46Å; L46-E411 WeakPolarHBondContact CD2-OE2 3.43Å
47L83.6Confident73Confident28 Ų2851.9 Ų51.915%0.14727%0.265CS..Hα-helixtrans-73.1-36.5176.2-65.8178.9000112P8 I9 W12 N44 G50 I51P8-L47 HydrophobicContact CB-CD2 3.85Å; I9-L47 HydrophobicContact CG1-CD2 4.06Å; W12-L47 HydrophobicContact CB-CD1 3.58Å; W12-L47 HydrophobicContact CD2-CB 4.28Å; W12-L47 HydrophobicContact CD2-CD1 3.79Å; W12-L47 HydrophobicContact CE3-CB 4.31Å; W12-L47 HydrophobicContact CE3-CD1 4.49Å; W12-L47 HydrophobicContact CG-CD1 3.38Å; N44-L47 HydrophobicContact CB-CB 4.17Å; N44-L47 HydrophobicContact CB-CD1 3.96Å; N44-L47 HydrophobicContact CB-CG 4.11Å; N44-L47 PolarHBondContact O-N 3.43Å; N44-L47 VanDerWaalsContact O-N 3.09Å; N44-L47 PolarHBondContact OD1-N 2.95Å; N44-L47 VanDerWaalsContact OD1-N 3.16Å; L47-G50 PolarHBondContact O-N 2.86Å; L47-I51 WeakPolarHBondContact O-CG1 3.48Å; L47-I51 PolarHBondContact O-N 2.85Å
48I82.3Confident74.8Confident1 Ų151 Ų511%0.00526%0.26CS..Hα-helixtrans-65.7-47.7173.6-65.6170.2000110.1W12 Y43 N44 P45 G50 I51 E52 L121W12-I48 HydrophobicContact CH2-CD1 4.31Å; W12-I48 HydrophobicContact CH2-CG1 3.77Å; W12-I48 HydrophobicContact CZ2-CG1 4.41Å; Y43-I48 HydrophobicContact CD2-CD1 4.01Å; Y43-I48 HydrophobicContact CE1-CD1 4.06Å; Y43-I48 HydrophobicContact CE2-CD1 3.33Å; Y43-I48 VanDerWaalsContact OH-CD1 3.28Å; Y43-I48 WeakPolarHBondContact OH-CD1 3.36Å; N44-I48 PolarHBondContact O-N 2.84Å; N44-I48 VanDerWaalsContact O-N 3.12Å; P45-I48 PolarHBondContact O-N 2.92Å; I48-G50 VanDerWaalsContact C-N 3.27Å; I48-G50 PolarHBondContact O-N 3.48Å; I48-I51 WeakPolarHBondContact O-CB 3.17Å; I48-I51 PolarHBondContact O-N 2.88Å; I48-E52 PolarHBondContact O-N 2.91Å; I48-L121 HydrophobicContact CG2-CD2 4Å; I48-L121 HydrophobicContact CG2-CG 4.46Å
49G81.1Confident76.5Confident11 Ų1148.2 Ų48.211%0.11325%0.248CC..Hα-helixtrans-59.7-35.3171.800000113.1P45 E52 N53P45-G49 PolarHBondContact O-N 3.15Å; G49-E52 PolarHBondContact O-N 3.35Å; G49-N53 WeakPolarHBondContact O-CB 3.48Å; G49-N53 VanDerWaalsContact O-CG 3.24Å; G49-N53 PolarHBondContact O-N 3.21Å; G49-N53 PolarHBondContact O-ND2 2.91Å
50G84Confident77.9Confident21 Ų2141.2 Ų41.222%0.21622%0.218CC..Hα-helixtrans-61.9-42.3170.800000113.2L46 L47 I48 N53 L54L46-G50 PolarHBondContact O-N 3.46Å; L47-G50 PolarHBondContact O-N 2.86Å; I48-G50 VanDerWaalsContact C-N 3.27Å; I48-G50 PolarHBondContact O-N 3.48Å; G50-N53 PolarHBondContact O-N 3.38Å; G50-L54 VanDerWaalsContact O-CG 3.3Å; G50-L54 WeakPolarHBondContact O-CG 3.35Å; G50-L54 PolarHBondContact O-N 3.23Å; G50-L54 VanDerWaalsContact O-N 3.1Å
51I88.9Confident78.9Confident0 Ų042.7 Ų42.70%022%0.224CC..Hα-helixtrans-66.2-42.5174.2-66160.9000110.7I9 W12 F13 L47 I48 L54 L55 I78 L121I9-I51 HydrophobicContact CD1-CG1 3.98Å; I9-I51 HydrophobicContact CG1-CG1 4.29Å; I9-I51 HydrophobicContact CG2-CD1 4.21Å; I9-I51 HydrophobicContact CG2-CG1 3.86Å; W12-I51 HydrophobicContact CE3-CD1 4.28Å; W12-I51 HydrophobicContact CZ3-CD1 3.69Å; F13-I51 HydrophobicContact CE2-CD1 3.53Å; F13-I51 HydrophobicContact CE2-CG1 4.25Å; F13-I51 HydrophobicContact CZ-CD1 3.8Å; L47-I51 WeakPolarHBondContact O-CG1 3.48Å; L47-I51 PolarHBondContact O-N 2.85Å; I48-I51 WeakPolarHBondContact O-CB 3.17Å; I48-I51 PolarHBondContact O-N 2.88Å; I51-L54 WeakPolarHBondContact O-CB 3.23Å; I51-L54 PolarHBondContact O-N 3.36Å; I51-L55 HydrophobicContact CG2-CD1 4.1Å; I51-L55 HydrophobicContact CG2-CG 4.47Å; I51-L55 WeakPolarHBondContact O-CG 3.37Å; I51-L55 PolarHBondContact O-N 2.91Å; I51-I78 HydrophobicContact CG2-CD1 4.5Å; I51-I78 HydrophobicContact CG2-CG2 4.02Å; I51-L121 HydrophobicContact CB-CD1 4.47Å; I51-L121 HydrophobicContact CB-CD2 4.44Å; I51-L121 HydrophobicContact CG2-CD1 3.78Å; I51-L121 HydrophobicContact CG2-CD2 4.1Å
52E86.8Confident79.1Confident0 Ų047 Ų470%025%0.247CC..Hα-helixtrans-60.2-46.2174.8-69.6-148.9170.800112.5I48 G49 L54 L55 L56 L121 T124 Q382 S386I48-E52 PolarHBondContact O-N 2.91Å; G49-E52 PolarHBondContact O-N 3.35Å; E52-L54 VanDerWaalsContact C-N 3.27Å; E52-L54 PolarHBondContact O-N 3.07Å; E52-L55 PolarHBondContact O-N 3.24Å; E52-L55 VanDerWaalsContact O-N 3.1Å; E52-L56 WeakPolarHBondContact O-CB 3.37Å; E52-L56 VanDerWaalsContact O-CG 3.31Å; E52-L56 WeakPolarHBondContact O-CG 3.47Å; E52-L56 PolarHBondContact O-N 2.93Å; E52-L121 HydrophobicContact CG-CD2 3.49Å; E52-L121 VanDerWaalsContact CG-CD2 3.49Å; E52-T124 HydrophobicContact CB-CG2 4.06Å; E52-T124 HydrophobicContact CG-CG2 3.91Å; E52-T124 PolarHBondContact OE1-OG1 3.13Å; E52-T124 PolarHBondContact OE2-OG1 3.46Å; E52-Q382 HydrophobicContact CG-CG 4.29Å; E52-Q382 VanDerWaalsContact OE2-CG 3.24Å; E52-Q382 WeakPolarHBondContact OE2-CG 3.47Å; E52-Q382 PolarHBondContact OE2-NE2 3.32Å; E52-S386 PolarHBondContact OE2-OG 3.3Å
53N85.8Confident78.9Confident93 Ų9347.5 Ų47.550%0.49726%0.259SS..Hα-helixtrans-61.4-37178.6-75.3-29000111.7G49 G50 E57G49-N53 WeakPolarHBondContact O-CB 3.48Å; G49-N53 VanDerWaalsContact O-CG 3.24Å; G49-N53 PolarHBondContact O-N 3.21Å; G49-N53 PolarHBondContact O-ND2 2.91Å; G50-N53 PolarHBondContact O-N 3.38Å; N53-E57 WeakPolarHBondContact O-CB 3.39Å; N53-E57 WeakPolarHBondContact O-CG 3.46Å; N53-E57 PolarHBondContact O-N 3.16Å
54L89.1Confident78.6Confident17 Ų1751 Ų519%0.08928%0.276CS..Hα-helixtrans-63.6-48.3170.7-68.8164.9000111.6M3 P6 I9 G50 I51 E52 L56 E57 M58 I78M3-L54 HydrophobicContact CE-CB 3.76Å; M3-L54 HydrophobicContact CE-CD2 3.77Å; M3-L54 HydrophobicContact CE-CG 4.38Å; M3-L54 WeakPolarHBondContact CE-O 3.4Å; P6-L54 HydrophobicContact CG-CD1 4.16Å; P6-L54 HydrophobicContact CG-CD2 4.44Å; I9-L54 HydrophobicContact CD1-CD1 3.7Å; G50-L54 VanDerWaalsContact O-CG 3.3Å; G50-L54 WeakPolarHBondContact O-CG 3.35Å; G50-L54 PolarHBondContact O-N 3.23Å; G50-L54 VanDerWaalsContact O-N 3.1Å; I51-L54 WeakPolarHBondContact O-CB 3.23Å; I51-L54 PolarHBondContact O-N 3.36Å; E52-L54 VanDerWaalsContact C-N 3.27Å; E52-L54 PolarHBondContact O-N 3.07Å; L54-L56 VanDerWaalsContact C-N 3.31Å; L54-L56 PolarHBondContact O-N 3.07Å; L54-E57 WeakPolarHBondContact O-CB 3.38Å; L54-E57 PolarHBondContact O-N 3.34Å; L54-E57 VanDerWaalsContact O-N 3.15Å; L54-M58 WeakPolarHBondContact O-CG 3.43Å; L54-M58 PolarHBondContact O-N 2.96Å; L54-I78 HydrophobicContact CB-CD1 4.37Å
55L90.8Very high78.2Confident0 Ų050 Ų500%027%0.272CS..Hα-helixtrans-59.2-42.2178.3-70.4169.9000111.7I51 E52 M58 I78 T124 I125 V128 F267I51-L55 HydrophobicContact CG2-CD1 4.1Å; I51-L55 HydrophobicContact CG2-CG 4.47Å; I51-L55 WeakPolarHBondContact O-CG 3.37Å; I51-L55 PolarHBondContact O-N 2.91Å; E52-L55 PolarHBondContact O-N 3.24Å; E52-L55 VanDerWaalsContact O-N 3.1Å; L55-M58 HydrophobicContact CD2-CE 4.11Å; L55-M58 HydrophobicContact CD2-SD 4.27Å; L55-M58 WeakPolarHBondContact O-CB 3.46Å; L55-M58 PolarHBondContact O-N 3.49Å; L55-I78 HydrophobicContact CD2-CD1 4.4Å; L55-I78 HydrophobicContact CD2-CG2 4.36Å; L55-T124 HydrophobicContact CB-CG2 4.32Å; L55-T124 HydrophobicContact CD1-CG2 4.3Å; L55-I125 HydrophobicContact CD1-CD1 4.44Å; L55-I125 HydrophobicContact CD1-CG1 3.77Å; L55-V128 HydrophobicContact CB-CG2 4.2Å; L55-V128 WeakPolarHBondContact O-CG2 3.21Å; L55-F267 HydrophobicContact CD2-CE1 3.96Å; L55-F267 HydrophobicContact CD2-CZ 4.05Å
56L87.5Confident78Confident33 Ų3351.4 Ų51.417%0.17327%0.274CS..Hα-helixtrans-67.6-33.2175.7-67172.7000112.7E52 L54 M58 I59 T124 Y127 V128E52-L56 WeakPolarHBondContact O-CB 3.37Å; E52-L56 VanDerWaalsContact O-CG 3.31Å; E52-L56 WeakPolarHBondContact O-CG 3.47Å; E52-L56 PolarHBondContact O-N 2.93Å; L54-L56 VanDerWaalsContact C-N 3.31Å; L54-L56 PolarHBondContact O-N 3.07Å; L56-M58 PolarHBondContact O-N 3.16Å; L56-I59 HydrophobicContact CD2-CD1 4.12Å; L56-I59 WeakPolarHBondContact O-CB 3.47Å; L56-I59 PolarHBondContact O-N 3.44Å; L56-I59 VanDerWaalsContact O-N 3.16Å; L56-T124 HydrophobicContact CG-CG2 4.46Å; L56-Y127 HydrophobicContact CD2-CD1 3.68Å; L56-Y127 HydrophobicContact CD2-CE1 3.61Å; L56-V128 HydrophobicContact CD2-CG2 4.29Å
57E86.6Confident77.9Confident73 Ų7347.1 Ų47.134%0.34125%0.252SS..Hα-helixtrans-62.9-19.1174.1-89.3-139.7132.800114.2M3 N53 L54 I59 K68M3-E57 HydrophobicContact CE-CB 4.17Å; N53-E57 WeakPolarHBondContact O-CB 3.39Å; N53-E57 WeakPolarHBondContact O-CG 3.46Å; N53-E57 PolarHBondContact O-N 3.16Å; L54-E57 WeakPolarHBondContact O-CB 3.38Å; L54-E57 PolarHBondContact O-N 3.34Å; L54-E57 VanDerWaalsContact O-N 3.15Å; E57-I59 VanDerWaalsContact C-N 3.26Å; E57-I59 PolarHBondContact O-N 3Å; E57-K68 VanDerWaalsContact O-CE 3.31Å; E57-K68 WeakPolarHBondContact O-CE 3.39Å; E57-K68 IonicContact OE1-NZ 3.44Å; E57-K68 PolarHBondContact OE1-NZ 3.41Å; E57-K68 IonicContact OE2-NZ 2.9Å; E57-K68 PolarHBondContact OE2-NZ 3.45Å
58M87.5Confident77.7Confident2 Ų249.3 Ų49.31%0.0126%0.26CS..THydrogen-bonded Turntrans-73.5-18.6176.9-56.5177.9-175.200112.6M3 L54 L55 L56 A71 V74 A75 I78 L263 F267M3-M58 HydrophobicContact CE-CE 3.77Å; M3-M58 HydrophobicContact CE-CG 3.95Å; M3-M58 HydrophobicContact SD-CE 4.25Å; M3-M58 HydrophobicContact SD-CG 4.04Å; L54-M58 WeakPolarHBondContact O-CG 3.43Å; L54-M58 PolarHBondContact O-N 2.96Å; L55-M58 HydrophobicContact CD2-CE 4.11Å; L55-M58 HydrophobicContact CD2-SD 4.27Å; L55-M58 WeakPolarHBondContact O-CB 3.46Å; L55-M58 PolarHBondContact O-N 3.49Å; L56-M58 PolarHBondContact O-N 3.16Å; M58-A71 HydrophobicContact CG-CB 4.36Å; M58-V74 HydrophobicContact CE-CB 4.25Å; M58-V74 HydrophobicContact CE-CG1 3.78Å; M58-A75 HydrophobicContact CE-CB 3.85Å; M58-A75 HydrophobicContact SD-CB 3.75Å; M58-I78 HydrophobicContact CE-CD1 4.24Å; M58-L263 HydrophobicContact CB-CD2 4.37Å; M58-L263 HydrophobicContact SD-CD1 4.39Å; M58-F267 HydrophobicContact SD-CE2 4.24Å; M58-F267 HydrophobicContact SD-CZ 3.79Å
59I84.2Confident77.5Confident22 Ų2255 Ų5511%0.11329%0.291CS..SBendtrans-72.7126.7179.3-57.6175.2000109.6L56 E57 K61 Y127 V128 C131 F135L56-I59 HydrophobicContact CD2-CD1 4.12Å; L56-I59 WeakPolarHBondContact O-CB 3.47Å; L56-I59 PolarHBondContact O-N 3.44Å; L56-I59 VanDerWaalsContact O-N 3.16Å; E57-I59 VanDerWaalsContact C-N 3.26Å; E57-I59 PolarHBondContact O-N 3Å; I59-K61 PolarHBondContact O-N 2.95Å; I59-K61 VanDerWaalsContact O-N 3.12Å; I59-Y127 HydrophobicContact CD1-CD1 4.09Å; I59-Y127 HydrophobicContact CD1-CE1 3.61Å; I59-V128 HydrophobicContact CD1-CG2 4.05Å; I59-V128 HydrophobicContact CG1-CG1 4.36Å; I59-V128 HydrophobicContact CG1-CG2 4.24Å; I59-C131 HydrophobicContact CD1-CB 3.93Å; I59-C131 HydrophobicContact CG1-CB 4.18Å; I59-C131 HydrophobicContact CG2-CB 4.16Å; I59-F135 HydrophobicContact CG2-CD2 4.27Å; I59-F135 HydrophobicContact CG2-CE2 3.6Å
60P76.8Confident77.6Confident5 Ų555 Ų553%0.03229%0.292CS..  trans-60.9115176.1-2434.3000112.1N62 F135 F136P60-N62 PolarHBondContact O-N 2.98Å; P60-F135 WeakPolarHBondContact O-CZ 3.36Å; P60-F136 HydrophobicContact CG-CE1 4.07Å; P60-F136 HydrophobicContact CG-CZ 3.9Å
61K70Confident77.7Confident155 Ų15554.1 Ų54.167%0.67428%0.282SS*.SBendtrans-69.3-16.3179.1-64.5-166.7176.3-169.10114.3I59I59-K61 PolarHBondContact O-N 2.95Å; I59-K61 VanDerWaalsContact O-N 3.12Å
62N59.6Low77.5Confident113 Ų11355.3 Ų55.360%0.60429%0.288SS*.SBendtrans-123.1159.3-172.5-75-41.5000111.2P60 K64P60-N62 PolarHBondContact O-N 2.98Å; N62-K64 CarbonylContact O-C 3.6Å; N62-K64 PolarHBondContact O-N 3.5Å; N62-K64 VanDerWaalsContact O-O 3.13Å
63S52.4Low77.6Confident112 Ų11261.2 Ų61.278%0.78332%0.316SS*.SBendtrans-61.8-9.8170.961.20000114.6
64K56.3Low77.7Confident150 Ų15057 Ų5765%0.65229%0.293SS*.SBendtrans-82.7114.4163.8-64.9-179.9-177.5174.90108N62 I66N62-K64 CarbonylContact O-C 3.6Å; N62-K64 PolarHBondContact O-N 3.5Å; N62-K64 VanDerWaalsContact O-O 3.13Å; K64-I66 HydrophobicContact CB-CD1 4.1Å; K64-I66 HydrophobicContact CB-CG1 4.2Å; K64-I66 HydrophobicContact CD-CD1 4.34Å; K64-I66 PolarHBondContact O-N 2.89Å
65S61.5Low77.8Confident30 Ų3056.1 Ų56.121%0.2129%0.289CS..  trans-68.134.1179.648.40000114.6I67 Q260S65-I67 PolarHBondContact O-N 3.47Å; S65-Q260 VanDerWaalsContact CB-NE2 3.33Å; S65-Q260 PolarHBondContact O-NE2 2.67Å; S65-Q260 PolarHBondContact OG-NE2 2.89Å
66I66.4Low77.8Confident106 Ų10659.5 Ų59.554%0.54430%0.304SS..  trans-81.8110.9179.7-58.1170.5000107.7K64 L256K64-I66 HydrophobicContact CB-CD1 4.1Å; K64-I66 HydrophobicContact CB-CG1 4.2Å; K64-I66 HydrophobicContact CD-CD1 4.34Å; K64-I66 PolarHBondContact O-N 2.89Å; I66-L256 HydrophobicContact CG1-CD1 4.37Å
67I74.6Confident77.9Confident17 Ų1760.9 Ų60.99%0.08731%0.307CS..PPolyproline II helixtrans-70.4150170.5-69.8169.2000108.8S65 D69 A71 F136 Q260 L263S65-I67 PolarHBondContact O-N 3.47Å; I67-D69 PolarHBondContact O-N 2.97Å; I67-A71 HydrophobicContact CG2-CB 3.55Å; I67-F136 HydrophobicContact CD1-CE2 3.87Å; I67-F136 HydrophobicContact CD1-CZ 3.73Å; I67-F136 HydrophobicContact CG1-CE2 4.43Å; I67-F136 HydrophobicContact CG1-CZ 3.83Å; I67-Q260 VanDerWaalsContact CD1-CA 3.48Å; I67-Q260 HydrophobicContact CD1-CB 4.12Å; I67-Q260 HydrophobicContact CD1-CG 3.73Å; I67-Q260 HydrophobicContact CG1-CG 4.36Å; I67-L263 HydrophobicContact CD1-CB 4.04Å; I67-L263 HydrophobicContact CD1-CD2 3.73Å; I67-L263 HydrophobicContact CG1-CD2 4.2Å; I67-L263 HydrophobicContact CG2-CD2 4.15Å
68K79.8Confident78.2Confident74 Ų7457.4 Ų57.432%0.32229%0.291SS..PPolyproline II helixtrans-66131.8173.1-62.7-168.7179.8-157.90110.4E57 G70 A71E57-K68 VanDerWaalsContact O-CE 3.31Å; E57-K68 WeakPolarHBondContact O-CE 3.39Å; E57-K68 IonicContact OE1-NZ 3.44Å; E57-K68 PolarHBondContact OE1-NZ 3.41Å; E57-K68 IonicContact OE2-NZ 2.9Å; E57-K68 PolarHBondContact OE2-NZ 3.45Å; K68-G70 PolarHBondContact O-N 3.36Å; K68-A71 HydrophobicContact CB-CB 4.43Å; K68-A71 WeakPolarHBondContact O-CB 3.25Å; K68-A71 PolarHBondContact O-N 3.4Å
69D78.3Confident78.4Confident120 Ų12057.5 Ų57.564%0.64229%0.292SS*.THydrogen-bonded Turntrans-47.8132168.4-177.921.2000110.3P2 M3 I67P2-D69 CarbonylContact C-O 3.59Å; P2-D69 VanDerWaalsContact CA-O 3.3Å; P2-D69 WeakPolarHBondContact CA-O 3.32Å; P2-D69 HydrophobicContact CB-CB 4.35Å; M3-D69 PolarHBondContact N-O 3.2Å; I67-D69 PolarHBondContact O-N 2.97Å
70G82.4Confident78.6Confident13 Ų1359.8 Ų59.813%0.13430%0.302CS..THydrogen-bonded Turntrans82.2-5.3-174.200000117.3K68 N72 E73 V74K68-G70 PolarHBondContact O-N 3.36Å; G70-N72 VanDerWaalsContact C-N 3.34Å; G70-N72 PolarHBondContact O-N 3.22Å; G70-E73 VanDerWaalsContact C-OE2 3.29Å; G70-E73 VanDerWaalsContact CA-OE2 3.26Å; G70-E73 WeakPolarHBondContact CA-OE2 3.49Å; G70-E73 PolarHBondContact O-N 2.75Å; G70-V74 WeakPolarHBondContact O-CG2 3.24Å; G70-V74 PolarHBondContact O-N 3.37Å; G70-V74 VanDerWaalsContact O-N 3.08Å
71A86.6Confident79.2Confident1 Ų160.2 Ų60.21%0.00831%0.305CS..Hα-helixtrans-66.4-32.5-175.900000113.8M3 M58 I67 K68 A75M3-A71 HydrophobicContact SD-CB 3.96Å; M58-A71 HydrophobicContact CG-CB 4.36Å; I67-A71 HydrophobicContact CG2-CB 3.55Å; K68-A71 HydrophobicContact CB-CB 4.43Å; K68-A71 WeakPolarHBondContact O-CB 3.25Å; K68-A71 PolarHBondContact O-N 3.4Å; A71-A75 WeakPolarHBondContact O-CB 3.41Å; A71-A75 PolarHBondContact O-N 3.35Å
72N85.5Confident80.2Confident26 Ų2652.9 Ų52.914%0.13927%0.272CS..Hα-helixtrans-65.1-44.6176.9-81.1-45.2000111.2G70 A75 Q76 E259 L263 I266G70-N72 VanDerWaalsContact C-N 3.34Å; G70-N72 PolarHBondContact O-N 3.22Å; N72-A75 PolarHBondContact O-N 3.45Å; N72-Q76 WeakPolarHBondContact O-CB 3.44Å; N72-Q76 PolarHBondContact O-N 3.2Å; N72-E259 PolarHBondContact ND2-O 3.11Å; N72-L263 WeakPolarHBondContact OD1-CA 3.29Å; N72-L263 VanDerWaalsContact OD1-CB 3.29Å; N72-L263 WeakPolarHBondContact OD1-CB 3.35Å; N72-L263 PolarHBondContact OD1-N 2.85Å; N72-L263 VanDerWaalsContact OD1-N 3.15Å; N72-I266 HydrophobicContact CB-CD1 4.18Å; N72-I266 WeakPolarHBondContact O-CD1 3.2Å
73E87.4Confident81.6Confident123 Ų12349 Ų4958%0.57525%0.252SS*.Hα-helixtrans-64.6-42.3178.2-66.177.4-17800111.4G70 W77G70-E73 VanDerWaalsContact C-OE2 3.29Å; G70-E73 VanDerWaalsContact CA-OE2 3.26Å; G70-E73 WeakPolarHBondContact CA-OE2 3.49Å; G70-E73 PolarHBondContact O-N 2.75Å; E73-W77 WeakPolarHBondContact O-CB 3.39Å; E73-W77 PolarHBondContact O-N 3.04Å
74V88.9Confident83.2Confident4 Ų447.1 Ų47.12%0.02423%0.232CC..Hα-helixtrans-67.9-45.7176.7175.50000111.2M3 I5 M58 G70 W77 I78M3-V74 HydrophobicContact CB-CG2 4.3Å; M3-V74 HydrophobicContact CE-CB 4.44Å; M3-V74 HydrophobicContact CE-CG1 3.84Å; M3-V74 HydrophobicContact CG-CB 4.48Å; M3-V74 HydrophobicContact CG-CG2 4.07Å; M3-V74 HydrophobicContact SD-CB 4.09Å; M3-V74 HydrophobicContact SD-CG1 4.15Å; M3-V74 HydrophobicContact SD-CG2 4.31Å; I5-V74 HydrophobicContact CG1-CB 4.45Å; I5-V74 HydrophobicContact CG1-CG1 4.18Å; I5-V74 HydrophobicContact CG1-CG2 3.9Å; M58-V74 HydrophobicContact CE-CB 4.25Å; M58-V74 HydrophobicContact CE-CG1 3.78Å; G70-V74 WeakPolarHBondContact O-CG2 3.24Å; G70-V74 PolarHBondContact O-N 3.37Å; G70-V74 VanDerWaalsContact O-N 3.08Å; V74-W77 PolarHBondContact O-N 3.26Å; V74-I78 HydrophobicContact CG1-CD1 3.71Å; V74-I78 HydrophobicContact CG1-CG1 4.39Å; V74-I78 WeakPolarHBondContact O-CG1 3.39Å; V74-I78 PolarHBondContact O-N 3.45Å
75A89.9Confident84.5Confident0 Ų040 Ų400%020%0.201CC..Hα-helixtrans-60.1-47176.100000111.7M58 A71 N72 W77 I78 C79 L263 I266 F267M58-A75 HydrophobicContact CE-CB 3.85Å; M58-A75 HydrophobicContact SD-CB 3.75Å; A71-A75 WeakPolarHBondContact O-CB 3.41Å; A71-A75 PolarHBondContact O-N 3.35Å; N72-A75 PolarHBondContact O-N 3.45Å; A75-W77 VanDerWaalsContact C-N 3.35Å; A75-W77 PolarHBondContact O-N 3.3Å; A75-I78 PolarHBondContact O-N 3.47Å; A75-C79 VanDerWaalsContact O-CB 3.29Å; A75-C79 WeakPolarHBondContact O-CB 3.26Å; A75-C79 PolarHBondContact O-N 3.33Å; A75-C79 PolarHBondContact O-SG 3.48Å; A75-L263 HydrophobicContact CB-CD1 3.61Å; A75-I266 HydrophobicContact CB-CG2 4Å; A75-F267 HydrophobicContact CB-CZ 4.31Å
76Q90.6Very high85.7Confident70 Ų7038.5 Ų38.533%0.32719%0.191SC..Hα-helixtrans-60-45.1177.9-177.3175.73700111.3N72 Q80 I266N72-Q76 WeakPolarHBondContact O-CB 3.44Å; N72-Q76 PolarHBondContact O-N 3.2Å; Q76-Q80 HydrophobicContact CG-CG 4.49Å; Q76-Q80 WeakPolarHBondContact O-CB 3.43Å; Q76-Q80 WeakPolarHBondContact O-CG 3.5Å; Q76-Q80 PolarHBondContact O-N 3.09Å; Q76-I266 HydrophobicContact CB-CD1 4.2Å
77W91.6Very high86.5Confident62 Ų6235.2 Ų35.224%0.23518%0.175CC..Hα-helixtrans-64.6-47.3178.6-172.597.2000111.8I5 I9 Q10 F13 E73 V74 A75 Q80 N81I5-W77 HydrophobicContact CD1-CB 3.63Å; I5-W77 HydrophobicContact CD1-CD2 3.22Å; I5-W77 HydrophobicContact CD1-CE3 3.41Å; I5-W77 VanDerWaalsContact CD1-CE3 3.41Å; I5-W77 HydrophobicContact CD1-CG 3.35Å; I5-W77 HydrophobicContact CD1-CZ3 4.13Å; I5-W77 HydrophobicContact CG2-CE3 4.21Å; I5-W77 HydrophobicContact CG2-CH2 4.25Å; I5-W77 HydrophobicContact CG2-CZ3 3.91Å; I9-W77 HydrophobicContact CG2-CZ3 4.3Å; Q10-W77 HydrophobicContact CG-CH2 4.25Å; Q10-W77 HydrophobicContact CG-CZ2 4.17Å; F13-W77 HydrophobicContact CB-CH2 3.84Å; F13-W77 HydrophobicContact CB-CZ2 4.5Å; F13-W77 AromaticContact CD2-CH2 3.46Å; F13-W77 HydrophobicContact CD2-CH2 3.46Å; F13-W77 VanDerWaalsContact CD2-CH2 3.46Å; F13-W77 AromaticContact CD2-CZ3 3.44Å; F13-W77 HydrophobicContact CD2-CZ3 3.44Å; F13-W77 VanDerWaalsContact CD2-CZ3 3.44Å; F13-W77 HydrophobicContact CE2-CH2 4.27Å; F13-W77 AromaticContact CE2-CZ3 3.77Å; F13-W77 HydrophobicContact CE2-CZ3 3.77Å; F13-W77 AromaticContact CG-CH2 3.91Å; F13-W77 HydrophobicContact CG-CH2 3.91Å; F13-W77 HydrophobicContact CG-CZ3 4.19Å; E73-W77 WeakPolarHBondContact O-CB 3.39Å; E73-W77 PolarHBondContact O-N 3.04Å; V74-W77 PolarHBondContact O-N 3.26Å; A75-W77 VanDerWaalsContact C-N 3.35Å; A75-W77 PolarHBondContact O-N 3.3Å; W77-Q80 PolarHBondContact O-N 3.23Å; W77-N81 PolarHBondContact O-N 3.11Å; W77-N81 PolarHBondContact O-ND2 3.46Å
78I91.1Very high86.3Confident0 Ų034.9 Ų34.90%017%0.173CC..Hα-helixtrans-60.2-50.3178.6-67.7168.5000109.8I51 L54 L55 M58 V74 A75 Q80 N81 L82I51-I78 HydrophobicContact CG2-CD1 4.5Å; I51-I78 HydrophobicContact CG2-CG2 4.02Å; L54-I78 HydrophobicContact CB-CD1 4.37Å; L55-I78 HydrophobicContact CD2-CD1 4.4Å; L55-I78 HydrophobicContact CD2-CG2 4.36Å; M58-I78 HydrophobicContact CE-CD1 4.24Å; V74-I78 HydrophobicContact CG1-CD1 3.71Å; V74-I78 HydrophobicContact CG1-CG1 4.39Å; V74-I78 WeakPolarHBondContact O-CG1 3.39Å; V74-I78 PolarHBondContact O-N 3.45Å; A75-I78 PolarHBondContact O-N 3.47Å; I78-Q80 PolarHBondContact O-N 3.38Å; I78-N81 PolarHBondContact O-N 2.94Å; I78-L82 HydrophobicContact CG2-CD1 3.81Å; I78-L82 HydrophobicContact CG2-CG 4.31Å; I78-L82 WeakPolarHBondContact O-CG 3.47Å; I78-L82 PolarHBondContact O-N 3.35Å
79C91.9Very high85.3Confident5 Ų534 Ų343%0.03417%0.172CC..Hα-helixtrans-59.4-43.1-180-68.70000112.6A75 L82 I83 I266 F270A75-C79 VanDerWaalsContact O-CB 3.29Å; A75-C79 WeakPolarHBondContact O-CB 3.26Å; A75-C79 PolarHBondContact O-N 3.33Å; A75-C79 PolarHBondContact O-SG 3.48Å; C79-L82 PolarHBondContact O-N 2.77Å; C79-I83 WeakPolarHBondContact O-CB 3.41Å; C79-I83 WeakPolarHBondContact O-CD1 3.3Å; C79-I83 VanDerWaalsContact O-CG1 3.26Å; C79-I83 WeakPolarHBondContact O-CG1 3.23Å; C79-I83 PolarHBondContact O-N 3.36Å; C79-I266 HydrophobicContact CB-CG2 4.38Å; C79-F270 HydrophobicContact CB-CB 3.95Å; C79-F270 HydrophobicContact CB-CD2 3.65Å; C79-F270 HydrophobicContact CB-CG 4.02Å
80Q88.6Confident84.1Confident69 Ų6932.9 Ų32.932%0.32217%0.165SC..Hα-helixtrans-63-41.9176.9-77.5172.8-5.500112.3Q76 W77 I78 L84Q76-Q80 HydrophobicContact CG-CG 4.49Å; Q76-Q80 WeakPolarHBondContact O-CB 3.43Å; Q76-Q80 WeakPolarHBondContact O-CG 3.5Å; Q76-Q80 PolarHBondContact O-N 3.09Å; W77-Q80 PolarHBondContact O-N 3.23Å; I78-Q80 PolarHBondContact O-N 3.38Å; Q80-L84 WeakPolarHBondContact O-CG 3.31Å; Q80-L84 PolarHBondContact O-N 3.25Å; Q80-L84 VanDerWaalsContact O-N 3.11Å
81N89.6Confident82.3Confident15 Ų1536.3 Ų36.38%0.0818%0.18CC..Hα-helixtrans-66.7-43178.3-80.3-85000111.7F13 H17 W77 I78 L84 L85F13-N81 HydrophobicContact CD1-CB 3.64Å; F13-N81 HydrophobicContact CE1-CB 3.63Å; F13-N81 HydrophobicContact CG-CB 4.14Å; F13-N81 HydrophobicContact CZ-CB 4.13Å; H17-N81 PolarHBondContact CD2-OD1 2.97Å; H17-N81 PolarHBondContact NE2-OD1 3.04Å; W77-N81 PolarHBondContact O-N 3.11Å; W77-N81 PolarHBondContact O-ND2 3.46Å; I78-N81 PolarHBondContact O-N 2.94Å; N81-L84 WeakPolarHBondContact O-CB 3.21Å; N81-L84 PolarHBondContact O-N 2.92Å; N81-L85 WeakPolarHBondContact O-CG 3.47Å; N81-L85 PolarHBondContact O-N 3.29Å
82L91.4Very high80.2Confident0 Ų042.2 Ų42.20%021%0.211CC..Hα-helixtrans-66-42.8177.1-67.2177.5000112.7F13 I78 C79 L84 L85 Y86 I117 T118 L121 I125 F270F13-L82 HydrophobicContact CE1-CD2 4.05Å; F13-L82 HydrophobicContact CZ-CD2 3.96Å; F13-L82 HydrophobicContact CZ-CG 4.4Å; I78-L82 HydrophobicContact CG2-CD1 3.81Å; I78-L82 HydrophobicContact CG2-CG 4.31Å; I78-L82 WeakPolarHBondContact O-CG 3.47Å; I78-L82 PolarHBondContact O-N 3.35Å; C79-L82 PolarHBondContact O-N 2.77Å; L82-L84 VanDerWaalsContact C-N 3.25Å; L82-L84 PolarHBondContact O-N 3.34Å; L82-L85 PolarHBondContact O-N 2.95Å; L82-L85 VanDerWaalsContact O-N 3.16Å; L82-Y86 WeakPolarHBondContact O-CB 3.36Å; L82-Y86 PolarHBondContact O-N 3.47Å; L82-I117 HydrophobicContact CD2-CG2 4.37Å; L82-T118 HydrophobicContact CB-CG2 4.03Å; L82-T118 PolarHBondContact O-OG1 2.77Å; L82-L121 HydrophobicContact CD1-CD1 3.82Å; L82-L121 HydrophobicContact CD2-CD1 3.77Å; L82-L121 HydrophobicContact CG-CD1 4.44Å; L82-I125 HydrophobicContact CD1-CD1 3.82Å; L82-F270 HydrophobicContact CB-CE2 3.73Å; L82-F270 HydrophobicContact CB-CZ 4.19Å; L82-F270 HydrophobicContact CD1-CE2 4.45Å; L82-F270 HydrophobicContact CD1-CZ 4.35Å
83I88Confident77.9Confident33 Ų3345.4 Ų45.417%0.16923%0.228CC..Hα-helixtrans-55.2-44.8172-71.9161000110.4C79 Y86 D87 F270 T273 I274 I277C79-I83 WeakPolarHBondContact O-CB 3.41Å; C79-I83 WeakPolarHBondContact O-CD1 3.3Å; C79-I83 VanDerWaalsContact O-CG1 3.26Å; C79-I83 WeakPolarHBondContact O-CG1 3.23Å; C79-I83 PolarHBondContact O-N 3.36Å; I83-Y86 PolarHBondContact O-N 3.46Å; I83-D87 VanDerWaalsContact O-CB 3.3Å; I83-D87 WeakPolarHBondContact O-CB 3.46Å; I83-D87 PolarHBondContact O-N 2.89Å; I83-F270 HydrophobicContact CD1-CD2 3.88Å; I83-F270 HydrophobicContact CG1-CD2 3.65Å; I83-F270 HydrophobicContact CG1-CE2 3.91Å; I83-T273 HydrophobicContact CD1-CG2 4.04Å; I83-T273 HydrophobicContact CG1-CG2 4.13Å; I83-T273 HydrophobicContact CG2-CG2 3.8Å; I83-I274 HydrophobicContact CG1-CD1 4Å; I83-I277 HydrophobicContact CG2-CD1 4.27Å
84L86Confident75.5Confident71 Ų7141.9 Ų41.937%0.37222%0.217SC..Hα-helixtrans-63.4-43.8177.8-76.1169.5000111.9H17 R20 Q80 N81 L82 Y86H17-L84 VanDerWaalsContact CE1-CB 3.47Å; H17-L84 WeakPolarHBondContact CE1-CB 3.36Å; R20-L84 PolarHBondContact NE-O 3Å; R20-L84 PolarHBondContact NH1-O 2.89Å; R20-L84 VanDerWaalsContact NH1-O 3.14Å; R20-L84 PolarHBondContact NH2-O 3.35Å; Q80-L84 WeakPolarHBondContact O-CG 3.31Å; Q80-L84 PolarHBondContact O-N 3.25Å; Q80-L84 VanDerWaalsContact O-N 3.11Å; N81-L84 WeakPolarHBondContact O-CB 3.21Å; N81-L84 PolarHBondContact O-N 2.92Å; L82-L84 VanDerWaalsContact C-N 3.25Å; L82-L84 PolarHBondContact O-N 3.34Å; L84-Y86 VanDerWaalsContact C-N 3.31Å; L84-Y86 PolarHBondContact O-N 3.37Å
85L85.4Confident73Confident0 Ų047.8 Ų47.80%025%0.248CC..Hα-helixtrans-63.6-37.5176.6-64.5-173.9000112.1F13 L16 N81 L82 I114F13-L85 HydrophobicContact CD1-CD1 4.01Å; F13-L85 HydrophobicContact CE1-CD1 3.7Å; F13-L85 HydrophobicContact CE1-CG 4.48Å; L16-L85 HydrophobicContact CB-CD1 4.49Å; L16-L85 HydrophobicContact CB-CD2 3.9Å; L16-L85 HydrophobicContact CD1-CD1 3.86Å; N81-L85 WeakPolarHBondContact O-CG 3.47Å; N81-L85 PolarHBondContact O-N 3.29Å; L82-L85 PolarHBondContact O-N 2.95Å; L82-L85 VanDerWaalsContact O-N 3.16Å; L85-I114 HydrophobicContact CB-CG2 3.85Å; L85-I114 HydrophobicContact CD2-CG2 3.87Å; L85-I114 HydrophobicContact CG-CG2 4.29Å
86Y85.9Confident70.6Confident0 Ų057.2 Ų57.20%029%0.289CS..Hα-helixtrans-77.8-34.1-178.9-173.9-98.4000114.1L82 I83 L84 I88 Q115 T118 I119 I274 I277 K281 E370L82-Y86 WeakPolarHBondContact O-CB 3.36Å; L82-Y86 PolarHBondContact O-N 3.47Å; I83-Y86 PolarHBondContact O-N 3.46Å; L84-Y86 VanDerWaalsContact C-N 3.31Å; L84-Y86 PolarHBondContact O-N 3.37Å; Y86-I88 VanDerWaalsContact C-N 3.26Å; Y86-I88 PolarHBondContact O-N 3.47Å; Y86-Q115 HydrophobicContact CD2-CB 4.21Å; Y86-Q115 HydrophobicContact CD2-CG 4.37Å; Y86-T118 HydrophobicContact CD2-CG2 4.36Å; Y86-T118 HydrophobicContact CG-CG2 4.32Å; Y86-I119 HydrophobicContact CD2-CG1 4.47Å; Y86-I119 HydrophobicContact CE2-CD1 4.22Å; Y86-I119 HydrophobicContact CE2-CG1 4.2Å; Y86-I274 HydrophobicContact CD1-CD1 3.67Å; Y86-I274 HydrophobicContact CD1-CG2 3.99Å; Y86-I274 HydrophobicContact CE1-CG2 3.8Å; Y86-I274 HydrophobicContact CG-CD1 3.89Å; Y86-I274 HydrophobicContact CG-CG2 4.46Å; Y86-I277 HydrophobicContact CD1-CB 3.93Å; Y86-I277 HydrophobicContact CD1-CD1 4.06Å; Y86-I277 HydrophobicContact CD1-CG2 3.59Å; Y86-I277 HydrophobicContact CE1-CB 3.66Å; Y86-I277 HydrophobicContact CE1-CG2 3.37Å; Y86-K281 PolarHBondContact O-NZ 3.47Å; Y86-E370 WeakPolarHBondContact CE2-OE1 3.43Å; Y86-E370 VanDerWaalsContact CZ-OE1 3.3Å; Y86-E370 PolarHBondContact OH-OE1 3.31Å; Y86-E370 PolarHBondContact OH-OE2 3.19Å
87D82.1Confident68.1Low37 Ų3757 Ų5720%0.19829%0.29CS..  trans-76.968.6177.1-172.635.9000112.2R20 I83 N89 I277R20-D87 PolarHBondContact NH2-O 3.44Å; I83-D87 VanDerWaalsContact O-CB 3.3Å; I83-D87 WeakPolarHBondContact O-CB 3.46Å; I83-D87 PolarHBondContact O-N 2.89Å; D87-N89 PolarHBondContact O-N 3.15Å; D87-I277 HydrophobicContact CB-CD1 3.81Å; D87-I277 HydrophobicContact CB-CG1 4.46Å
88I71.6Confident65.6Low10 Ų1058.2 Ų58.25%0.05130%0.301CS..  trans-82.598.5170.3-70.2166.1000107.5Y86 I90 L111 I114 Q115Y86-I88 VanDerWaalsContact C-N 3.26Å; Y86-I88 PolarHBondContact O-N 3.47Å; I88-I90 PolarHBondContact O-N 2.99Å; I88-L111 HydrophobicContact CD1-CB 3.84Å; I88-L111 HydrophobicContact CD1-CD2 3.65Å; I88-L111 HydrophobicContact CD1-CG 4.33Å; I88-L111 WeakPolarHBondContact CD1-O 3.48Å; I88-L111 HydrophobicContact CG1-CD2 4.15Å; I88-L111 HydrophobicContact CG2-CB 4.42Å; I88-L111 HydrophobicContact CG2-CD1 4.07Å; I88-L111 HydrophobicContact CG2-CD2 3.94Å; I88-L111 HydrophobicContact CG2-CG 4.37Å; I88-I114 HydrophobicContact CD1-CB 4.47Å; I88-I114 HydrophobicContact CD1-CG2 4.41Å; I88-Q115 HydrophobicContact CD1-CG 3.71Å
89N59.1Low63.6Low56 Ų5665.4 Ų65.430%0.29934%0.338SS..  trans-60.599.1172.6-82.5-62.1000110D87 N91 R280D87-N89 PolarHBondContact O-N 3.15Å; N89-N91 PolarHBondContact O-N 3.47Å; N89-R280 PolarHBondContact OD1-NH1 3.2Å
90I53.2Low61.4Low96 Ų9670.1 Ų70.149%0.49237%0.367SS..  trans-73.977161.6-53.3173.6000106.3I88 D92 C94I88-I90 PolarHBondContact O-N 2.99Å; I90-D92 PolarHBondContact O-N 3.4Å; I90-C94 HydrophobicContact CG2-CB 4.35Å; I90-C94 WeakPolarHBondContact CG2-SG 3.49Å
91N44.6Very low59.8Low84 Ų8470.9 Ų70.945%0.44937%0.373SS..  trans-82.6112.7177.9-74.7-21000109.7N89 D93N89-N91 PolarHBondContact O-N 3.47Å; N91-D93 VanDerWaalsContact C-N 3.27Å; N91-D93 PolarHBondContact O-N 3.49Å
92D41.5Very low58Low125 Ų12574.7 Ų74.767%0.66840%0.401SS*.SBendtrans58.2-25.3149.7-52.5-29.1000121.2I90 C94I90-D92 PolarHBondContact O-N 3.4Å; D92-C94 VanDerWaalsContact C-N 3.31Å; D92-C94 PolarHBondContact O-N 2.66Å
93D38.3Very low56.4Low93 Ų9378.2 Ų78.250%0.49742%0.419SS..G310 helixtrans-79.2-9.4-179.2-77.1-28.5000113.8N27 N91 N95 K96N27-D93 PolarHBondContact ND2-OD2 3.48Å; N91-D93 VanDerWaalsContact C-N 3.27Å; N91-D93 PolarHBondContact O-N 3.49Å; D93-N95 PolarHBondContact O-N 3.15Å; D93-N95 VanDerWaalsContact O-N 3.11Å; D93-K96 PolarHBondContact O-N 2.96Å
94C36.8Very low55Low50 Ų5078.5 Ų78.534%0.33842%0.421SS..G310 helixtrans-62.4-17175.1-81.50000114.3I90 D92 K96 L97I90-C94 HydrophobicContact CG2-CB 4.35Å; I90-C94 WeakPolarHBondContact CG2-SG 3.49Å; D92-C94 VanDerWaalsContact C-N 3.31Å; D92-C94 PolarHBondContact O-N 2.66Å; C94-K96 PolarHBondContact O-N 2.9Å; C94-K96 VanDerWaalsContact O-N 3.13Å; C94-L97 PolarHBondContact O-N 3.27Å
95N36Very low53.8Low128 Ų12878.4 Ų78.468%0.68442%0.423SS*.G310 helixtrans-71.8-0.1177.6-65.4-20.2000113.9D93D93-N95 PolarHBondContact O-N 3.15Å; D93-N95 VanDerWaalsContact O-N 3.11Å
96K38.9Very low52.7Low198 Ų19881.5 Ų81.586%0.86144%0.435SS*.G310 helixtrans-137.521.4170.2-75.2-170.3174.3-178.80113.4D93 C94 D98D93-K96 PolarHBondContact O-N 2.96Å; C94-K96 PolarHBondContact O-N 2.9Å; C94-K96 VanDerWaalsContact O-N 3.13Å; K96-D98 PolarHBondContact O-N 3.36Å
97L39.4Very low51.6Low65 Ų6583.4 Ų83.434%0.3444%0.443SS..  trans-75.196.8-173.2-127.581000112.1C94 I99 N104C94-L97 PolarHBondContact O-N 3.27Å; L97-I99 PolarHBondContact O-N 3.11Å; L97-N104 HydrophobicContact CD2-CB 4.48Å
98D37.7Very low50.9Low87 Ų8785.1 Ų85.147%0.46545%0.452SS..  trans-55.1106.2160-93.6-35.7000109.5K96 T100 N101K96-D98 PolarHBondContact O-N 3.36Å; D98-T100 PolarHBondContact O-N 3.19Å; D98-T100 VanDerWaalsContact O-N 3.09Å; D98-N101 PolarHBondContact O-N 3.03Å
99I48.8Very low50.8Low151 Ų15188.3 Ų88.377%0.77447%0.469SS*.THydrogen-bonded Turntrans-62.7-13.9177.8-60.6173.6000111.1L97L97-I99 PolarHBondContact O-N 3.11Å
100T47.4Very low51.3Low105 Ų10586.2 Ų86.264%0.64446%0.458SS*.THydrogen-bonded Turntrans-75.9-19.1-179.452.90000114.5D98 S102D98-T100 PolarHBondContact O-N 3.19Å; D98-T100 VanDerWaalsContact O-N 3.09Å; T100-S102 PolarHBondContact O-N 3.39Å
101N53.6Low52.2Low85 Ų8582.6 Ų82.646%0.45544%0.439SS..  trans-77.6106.7179.8-86.5-36000111.7D98 L103 N104 V105D98-N101 PolarHBondContact O-N 3.03Å; N101-L103 PolarHBondContact O-N 2.94Å; N101-L103 VanDerWaalsContact O-N 3.15Å; N101-N104 HydrophobicContact CB-CB 4.4Å; N101-N104 WeakPolarHBondContact O-CB 3.44Å; N101-N104 PolarHBondContact O-N 3.38Å; N101-V105 PolarHBondContact O-N 3.48Å
102S53.3Low53.7Low94 Ų9481.8 Ų81.866%0.65744%0.435SS*.Hα-helixtrans-52.7-35.3178.755.90000113.8T100 N104 V105 Y106T100-S102 PolarHBondContact O-N 3.39Å; S102-N104 VanDerWaalsContact C-N 3.3Å; S102-N104 PolarHBondContact O-N 2.88Å; S102-V105 PolarHBondContact O-N 2.86Å; S102-Y106 WeakPolarHBondContact O-CB 3.43Å; S102-Y106 PolarHBondContact O-N 3.08Å
103L56.6Low55.4Low74 Ų7478 Ų7839%0.38742%0.415SS..Hα-helixtrans-59.3-36.6173.8-75165.6000113N101 R107N101-L103 PolarHBondContact O-N 2.94Å; N101-L103 VanDerWaalsContact O-N 3.15Å; L103-R107 WeakPolarHBondContact O-CB 3.36Å; L103-R107 VanDerWaalsContact O-CG 3.23Å; L103-R107 WeakPolarHBondContact O-CG 3.2Å; L103-R107 PolarHBondContact O-N 3.46Å
104N59.2Low57.3Low39 Ų3973.6 Ų73.621%0.20939%0.391CS..Hα-helixtrans-74-38.4178.2-70.1-16000111.3L97 N101 S102 Y106 N108L97-N104 HydrophobicContact CD2-CB 4.48Å; N101-N104 HydrophobicContact CB-CB 4.4Å; N101-N104 WeakPolarHBondContact O-CB 3.44Å; N101-N104 PolarHBondContact O-N 3.38Å; S102-N104 VanDerWaalsContact C-N 3.3Å; S102-N104 PolarHBondContact O-N 2.88Å; N104-Y106 VanDerWaalsContact C-N 3.35Å; N104-N108 WeakPolarHBondContact O-CB 3.43Å; N104-N108 VanDerWaalsContact O-CG 3.24Å; N104-N108 PolarHBondContact O-N 2.99Å; N104-N108 PolarHBondContact O-ND2 2.58Å
105V60.5Low59.6Low69 Ų6972 Ų7242%0.41838%0.379SS..Hα-helixtrans-60.7-47173-177.60000110.2N101 S102 N108 N109N101-V105 PolarHBondContact O-N 3.48Å; S102-V105 PolarHBondContact O-N 2.86Å; V105-N108 PolarHBondContact O-N 3.34Å; V105-N109 VanDerWaalsContact O-CG 3.3Å; V105-N109 PolarHBondContact O-N 3.4Å
106Y62.2Low61.9Low65 Ų6566.4 Ų66.426%0.25535%0.349SS..Hα-helixtrans-62.8-49.2178.2-178.5-105.4000112.4I33 E38 S102 N104 N108 N109 L110I33-Y106 HydrophobicContact CB-CE1 3.96Å; I33-Y106 HydrophobicContact CD1-CD1 4.05Å; I33-Y106 HydrophobicContact CD1-CE1 3.92Å; I33-Y106 HydrophobicContact CG2-CE1 3.88Å; E38-Y106 WeakPolarHBondContact CG-OH 3.21Å; E38-Y106 WeakPolarHBondContact OE1-CE2 3.32Å; E38-Y106 PolarHBondContact OE1-OH 3.4Å; S102-Y106 WeakPolarHBondContact O-CB 3.43Å; S102-Y106 PolarHBondContact O-N 3.08Å; N104-Y106 VanDerWaalsContact C-N 3.35Å; Y106-N108 VanDerWaalsContact C-N 3.3Å; Y106-N108 PolarHBondContact O-N 3.31Å; Y106-N109 PolarHBondContact O-N 2.96Å; Y106-N109 VanDerWaalsContact O-N 3.13Å; Y106-L110 HydrophobicContact CD1-CD1 3.67Å; Y106-L110 HydrophobicContact CD1-CG 4.48Å; Y106-L110 HydrophobicContact CE1-CD1 3.33Å; Y106-L110 HydrophobicContact CE1-CG 4.22Å; Y106-L110 HydrophobicContact CE2-CD1 4.44Å; Y106-L110 HydrophobicContact CE2-CD2 4.38Å; Y106-L110 HydrophobicContact CG-CD1 4.37Å; Y106-L110 WeakPolarHBondContact O-CG 3.35Å; Y106-L110 PolarHBondContact O-N 3.06Å
107R63Low64.1Low40 Ų4057 Ų5715%0.15131%0.308CS..Hα-helixtrans-55.1-43.4173.5-75.6170.3176.9-159.3-3.3112.2H26 D28 I33 L103 L110 L111H26-R107 PolarHBondContact O-NH1 2.71Å; H26-R107 PolarHBondContact O-NH2 3.42Å; H26-R107 VanDerWaalsContact O-NH2 3.17Å; D28-R107 PolarHBondContact O-NH2 2.9Å; I33-R107 HydrophobicContact CD1-CG 3.95Å; L103-R107 WeakPolarHBondContact O-CB 3.36Å; L103-R107 VanDerWaalsContact O-CG 3.23Å; L103-R107 WeakPolarHBondContact O-CG 3.2Å; L103-R107 PolarHBondContact O-N 3.46Å; R107-L110 PolarHBondContact O-N 2.95Å; R107-L111 WeakPolarHBondContact O-CB 3.29Å; R107-L111 VanDerWaalsContact O-CG 3.24Å; R107-L111 WeakPolarHBondContact O-CG 2.99Å; R107-L111 PolarHBondContact O-N 2.98Å
108N67Low66.5Low73 Ų7354 Ų5439%0.3929%0.293SS..Hα-helixtrans-66.5-37.6177.8-75.9-23.9000112.6N104 V105 Y106 L111 N112N104-N108 WeakPolarHBondContact O-CB 3.43Å; N104-N108 VanDerWaalsContact O-CG 3.24Å; N104-N108 PolarHBondContact O-N 2.99Å; N104-N108 PolarHBondContact O-ND2 2.58Å; V105-N108 PolarHBondContact O-N 3.34Å; Y106-N108 VanDerWaalsContact C-N 3.3Å; Y106-N108 PolarHBondContact O-N 3.31Å; N108-L111 PolarHBondContact O-N 3.41Å; N108-N112 WeakPolarHBondContact O-CB 3.22Å; N108-N112 PolarHBondContact O-N 2.78Å; N108-N112 PolarHBondContact O-ND2 2.84Å
109N68.9Low68.9Low77 Ų7750 Ų5041%0.41227%0.271SS..Hα-helixtrans-61.8-51.3174.4-70.8-14.5000111.1V105 Y106 L111 N112 D113V105-N109 VanDerWaalsContact O-CG 3.3Å; V105-N109 PolarHBondContact O-N 3.4Å; Y106-N109 PolarHBondContact O-N 2.96Å; Y106-N109 VanDerWaalsContact O-N 3.13Å; N109-L111 VanDerWaalsContact C-N 3.29Å; N109-L111 PolarHBondContact O-N 3.37Å; N109-N112 CarbonylContact O-C 3.49Å; N109-N112 WeakPolarHBondContact O-CA 3.17Å; N109-N112 WeakPolarHBondContact O-CB 3.46Å; N109-N112 PolarHBondContact O-N 3.24Å; N109-D113 VanDerWaalsContact O-CG 3.27Å; N109-D113 PolarHBondContact O-N 3.37Å
110L70.1Confident70.8Confident13 Ų1342.9 Ų42.97%0.06823%0.234CC..Hα-helixtrans-57.9-40.4177.5-60164.6000112.2Y19 I23 I33 I41 Y106 R107 D113 I114Y19-L110 VanDerWaalsContact OH-CD1 3.31Å; Y19-L110 WeakPolarHBondContact OH-CD1 3.24Å; I23-L110 HydrophobicContact CD1-CB 4.13Å; I33-L110 HydrophobicContact CD1-CD1 3.96Å; I41-L110 HydrophobicContact CD1-CB 3.98Å; I41-L110 HydrophobicContact CD1-CD2 3.49Å; I41-L110 VanDerWaalsContact CD1-CD2 3.49Å; I41-L110 HydrophobicContact CD1-CG 4.26Å; Y106-L110 HydrophobicContact CD1-CD1 3.67Å; Y106-L110 HydrophobicContact CD1-CG 4.48Å; Y106-L110 HydrophobicContact CE1-CD1 3.33Å; Y106-L110 HydrophobicContact CE1-CG 4.22Å; Y106-L110 HydrophobicContact CE2-CD1 4.44Å; Y106-L110 HydrophobicContact CE2-CD2 4.38Å; Y106-L110 HydrophobicContact CG-CD1 4.37Å; Y106-L110 WeakPolarHBondContact O-CG 3.35Å; Y106-L110 PolarHBondContact O-N 3.06Å; R107-L110 PolarHBondContact O-N 2.95Å; L110-D113 PolarHBondContact O-N 2.93Å; L110-I114 WeakPolarHBondContact O-CG1 3.44Å; L110-I114 PolarHBondContact O-N 3.43Å; L110-I114 VanDerWaalsContact O-N 3.07Å
111L73.5Confident72.9Confident19 Ų1937.9 Ų37.910%0.09920%0.204CC..Hα-helixtrans-66.8-35.9174.9-71.3170000112.4I23 I88 R107 N108 N109 I114 Q115I23-L111 HydrophobicContact CB-CD2 4.32Å; I23-L111 HydrophobicContact CD1-CD2 4.14Å; I23-L111 HydrophobicContact CD1-CG 4.39Å; I23-L111 HydrophobicContact CG2-CD1 3.94Å; I23-L111 HydrophobicContact CG2-CD2 3.9Å; I23-L111 HydrophobicContact CG2-CG 3.98Å; I88-L111 HydrophobicContact CD1-CB 3.84Å; I88-L111 HydrophobicContact CD1-CD2 3.65Å; I88-L111 HydrophobicContact CD1-CG 4.33Å; I88-L111 WeakPolarHBondContact CD1-O 3.48Å; I88-L111 HydrophobicContact CG1-CD2 4.15Å; I88-L111 HydrophobicContact CG2-CB 4.42Å; I88-L111 HydrophobicContact CG2-CD1 4.07Å; I88-L111 HydrophobicContact CG2-CD2 3.94Å; I88-L111 HydrophobicContact CG2-CG 4.37Å; R107-L111 WeakPolarHBondContact O-CB 3.29Å; R107-L111 VanDerWaalsContact O-CG 3.24Å; R107-L111 WeakPolarHBondContact O-CG 2.99Å; R107-L111 PolarHBondContact O-N 2.98Å; N108-L111 PolarHBondContact O-N 3.41Å; N109-L111 VanDerWaalsContact C-N 3.29Å; N109-L111 PolarHBondContact O-N 3.37Å; L111-I114 PolarHBondContact O-N 3.19Å; L111-Q115 WeakPolarHBondContact O-CG 3.38Å; L111-Q115 PolarHBondContact O-N 3.12Å
112N75.5Confident74.8Confident68 Ų6833.9 Ų33.936%0.36418%0.182SC..Hα-helixtrans-68-37.6173.7-70.1-33.2000111.7N108 N109 I114 Q115 L116N108-N112 WeakPolarHBondContact O-CB 3.22Å; N108-N112 PolarHBondContact O-N 2.78Å; N108-N112 PolarHBondContact O-ND2 2.84Å; N109-N112 CarbonylContact O-C 3.49Å; N109-N112 WeakPolarHBondContact O-CA 3.17Å; N109-N112 WeakPolarHBondContact O-CB 3.46Å; N109-N112 PolarHBondContact O-N 3.24Å; N112-I114 VanDerWaalsContact C-N 3.32Å; N112-I114 PolarHBondContact O-N 3.05Å; N112-Q115 WeakPolarHBondContact O-CB 3.31Å; N112-Q115 PolarHBondContact O-N 2.93Å; N112-Q115 VanDerWaalsContact O-N 3.15Å; N112-L116 PolarHBondContact O-N 3.3Å
113D76.1Confident76.7Confident46 Ų4629.4 Ų29.425%0.24615%0.151CC..Hα-helixtrans-70.3-28.8178.2-59.7-34000111.6N109 L110 L116 K717N109-D113 VanDerWaalsContact O-CG 3.27Å; N109-D113 PolarHBondContact O-N 3.37Å; L110-D113 PolarHBondContact O-N 2.93Å; D113-L116 WeakPolarHBondContact O-CB 3.3Å; D113-K717 IonicContact OD1-NZ 2.63Å; D113-K717 PolarHBondContact OD1-NZ 3.5Å
114I79.8Confident78.4Confident0 Ų025.9 Ų25.90%013%0.133CC..Hα-helixtrans-68.5-38.5167.7-66.5165.4000111.9Y19 R20 I23 L85 I88 L110 L111 N112 L116Y19-I114 HydrophobicContact CD1-CD1 3.97Å; Y19-I114 HydrophobicContact CE1-CD1 4.32Å; R20-I114 HydrophobicContact CB-CD1 4.45Å; I23-I114 HydrophobicContact CD1-CD1 4.37Å; L85-I114 HydrophobicContact CB-CG2 3.85Å; L85-I114 HydrophobicContact CD2-CG2 3.87Å; L85-I114 HydrophobicContact CG-CG2 4.29Å; I88-I114 HydrophobicContact CD1-CB 4.47Å; I88-I114 HydrophobicContact CD1-CG2 4.41Å; L110-I114 WeakPolarHBondContact O-CG1 3.44Å; L110-I114 PolarHBondContact O-N 3.43Å; L110-I114 VanDerWaalsContact O-N 3.07Å; L111-I114 PolarHBondContact O-N 3.19Å; N112-I114 VanDerWaalsContact C-N 3.32Å; N112-I114 PolarHBondContact O-N 3.05Å; I114-L116 VanDerWaalsContact C-N 3.33Å
115Q83.9Confident80.1Confident16 Ų1624 Ų248%0.07512%0.123CC..Hα-helixtrans-67.4-36.4175.6-67.4176.541.800111.7Y86 I88 L111 N112 I117 T118 I119 K281Y86-Q115 HydrophobicContact CD2-CB 4.21Å; Y86-Q115 HydrophobicContact CD2-CG 4.37Å; I88-Q115 HydrophobicContact CD1-CG 3.71Å; L111-Q115 WeakPolarHBondContact O-CG 3.38Å; L111-Q115 PolarHBondContact O-N 3.12Å; N112-Q115 WeakPolarHBondContact O-CB 3.31Å; N112-Q115 PolarHBondContact O-N 2.93Å; N112-Q115 VanDerWaalsContact O-N 3.15Å; Q115-I117 VanDerWaalsContact C-N 3.27Å; Q115-I117 PolarHBondContact O-N 3.21Å; Q115-T118 WeakPolarHBondContact O-CB 3.38Å; Q115-T118 PolarHBondContact O-N 3.39Å; Q115-I119 PolarHBondContact O-N 2.85Å; Q115-K281 VanDerWaalsContact CD-NZ 3.34Å
116L84.7Confident81.7Confident10 Ų1020.8 Ų20.85%0.05210%0.103CC..Hα-helixtrans-53.6-41.1-179.7-176.660.2000112.2N112 D113 I114 T118 I119 E120 Y374 C378N112-L116 PolarHBondContact O-N 3.3Å; D113-L116 WeakPolarHBondContact O-CB 3.3Å; I114-L116 VanDerWaalsContact C-N 3.33Å; L116-T118 PolarHBondContact O-N 3.31Å; L116-T118 VanDerWaalsContact O-N 3.15Å; L116-I119 CarbonylContact O-C 3.48Å; L116-I119 WeakPolarHBondContact O-CA 3.48Å; L116-I119 PolarHBondContact O-N 3.43Å; L116-E120 HydrophobicContact CD1-CG 4.12Å; L116-E120 HydrophobicContact CG-CG 4.22Å; L116-E120 WeakPolarHBondContact O-CG 3.34Å; L116-E120 PolarHBondContact O-N 3.47Å; L116-Y374 HydrophobicContact CD1-CD1 3.71Å; L116-Y374 HydrophobicContact CD1-CE1 3.94Å; L116-Y374 HydrophobicContact CD1-CG 4.39Å; L116-C378 WeakPolarHBondContact CD2-O 3.35Å
117I85.9Confident83.1Confident2 Ų219.8 Ų19.81%0.0110%0.099CC..Hα-helixtrans-52.9-38.4175.3-60.3168.6000112W12 L16 L82 Q115 L121W12-I117 HydrophobicContact CH2-CD1 3.95Å; W12-I117 HydrophobicContact CH2-CG1 4.4Å; W12-I117 HydrophobicContact CH2-CG2 3.84Å; W12-I117 HydrophobicContact CZ2-CD1 4.04Å; W12-I117 HydrophobicContact CZ3-CG2 4.34Å; L16-I117 HydrophobicContact CD1-CD1 3.79Å; L16-I117 HydrophobicContact CD2-CD1 4.18Å; L82-I117 HydrophobicContact CD2-CG2 4.37Å; Q115-I117 VanDerWaalsContact C-N 3.27Å; Q115-I117 PolarHBondContact O-N 3.21Å; I117-L121 WeakPolarHBondContact O-CG 3.5Å
118T88.8Confident84.4Confident2 Ų217.9 Ų17.91%0.0129%0.092CC..Hα-helixtrans-77.2-33.2178.7-57.80000112.1L82 Y86 Q115 L116 L122 F270 I274L82-T118 HydrophobicContact CB-CG2 4.03Å; L82-T118 PolarHBondContact O-OG1 2.77Å; Y86-T118 HydrophobicContact CD2-CG2 4.36Å; Y86-T118 HydrophobicContact CG-CG2 4.32Å; Q115-T118 WeakPolarHBondContact O-CB 3.38Å; Q115-T118 PolarHBondContact O-N 3.39Å; L116-T118 PolarHBondContact O-N 3.31Å; L116-T118 VanDerWaalsContact O-N 3.15Å; T118-L122 PolarHBondContact O-N 3.21Å; T118-F270 HydrophobicContact CG2-CZ 4.05Å; T118-I274 HydrophobicContact CG2-CD1 3.96Å
119I89.1Confident85.6Confident2 Ų214.4 Ų14.41%0.017%0.073CC..Hα-helixtrans-72.9-39.6-179.9-62.7171.6000110.2Y86 Q115 L116 L121 L122 E370 Y371 Y374Y86-I119 HydrophobicContact CD2-CG1 4.47Å; Y86-I119 HydrophobicContact CE2-CD1 4.22Å; Y86-I119 HydrophobicContact CE2-CG1 4.2Å; Q115-I119 PolarHBondContact O-N 2.85Å; L116-I119 CarbonylContact O-C 3.48Å; L116-I119 WeakPolarHBondContact O-CA 3.48Å; L116-I119 PolarHBondContact O-N 3.43Å; I119-L121 PolarHBondContact O-N 3.24Å; I119-L122 WeakPolarHBondContact O-CB 3.31Å; I119-L122 PolarHBondContact O-N 3.46Å; I119-L122 VanDerWaalsContact O-N 3.09Å; I119-E370 HydrophobicContact CD1-CG 4.28Å; I119-Y371 HydrophobicContact CG2-CD2 4.02Å; I119-Y371 VanDerWaalsContact O-CD2 3.32Å; I119-Y371 WeakPolarHBondContact O-CD2 3.34Å; I119-Y374 HydrophobicContact CD1-CD2 4.49Å; I119-Y374 HydrophobicContact CD1-CE1 4.44Å; I119-Y374 HydrophobicContact CD1-CE2 3.55Å; I119-Y374 VanDerWaalsContact CD1-OH 3.25Å; I119-Y374 WeakPolarHBondContact CD1-OH 3.34Å; I119-Y374 HydrophobicContact CG2-CD2 3.99Å; I119-Y374 HydrophobicContact CG2-CE2 4.04Å
120E88.7Confident86.6Confident1 Ų110.7 Ų10.71%0.0055%0.054CC..Hα-helixtrans-66.7-33.2177.5-70.8-177.3128.800114.4Y43 L116 L122 P123 V379 S380 S383Y43-E120 WeakPolarHBondContact CE2-OE2 3.39Å; Y43-E120 VanDerWaalsContact CZ-OE2 3.25Å; Y43-E120 PolarHBondContact OH-OE1 3.14Å; Y43-E120 PolarHBondContact OH-OE2 2.92Å; L116-E120 HydrophobicContact CD1-CG 4.12Å; L116-E120 HydrophobicContact CG-CG 4.22Å; L116-E120 WeakPolarHBondContact O-CG 3.34Å; L116-E120 PolarHBondContact O-N 3.47Å; E120-L122 PolarHBondContact O-N 3.06Å; E120-P123 VanDerWaalsContact O-CD 3.3Å; E120-P123 WeakPolarHBondContact O-CD 3.31Å; E120-V379 HydrophobicContact CG-CB 4.25Å; E120-V379 HydrophobicContact CG-CG1 4.06Å; E120-V379 VanDerWaalsContact OE1-CA 3.24Å; E120-V379 WeakPolarHBondContact OE1-CA 3.26Å; E120-S380 PolarHBondContact OE1-N 3.23Å; E120-S383 WeakPolarHBondContact O-CB 3.41Å; E120-S383 PolarHBondContact O-OG 2.86Å
121L91.7Very high87.4Confident0 Ų010.1 Ų10.10%05%0.05CC..THydrogen-bonded Turntrans-76.9-8.9174.6-68.9171.6000112.2I48 I51 E52 L82 I117 I119 T124 I125I48-L121 HydrophobicContact CG2-CD2 4Å; I48-L121 HydrophobicContact CG2-CG 4.46Å; I51-L121 HydrophobicContact CB-CD1 4.47Å; I51-L121 HydrophobicContact CB-CD2 4.44Å; I51-L121 HydrophobicContact CG2-CD1 3.78Å; I51-L121 HydrophobicContact CG2-CD2 4.1Å; E52-L121 HydrophobicContact CG-CD2 3.49Å; E52-L121 VanDerWaalsContact CG-CD2 3.49Å; L82-L121 HydrophobicContact CD1-CD1 3.82Å; L82-L121 HydrophobicContact CD2-CD1 3.77Å; L82-L121 HydrophobicContact CG-CD1 4.44Å; I117-L121 WeakPolarHBondContact O-CG 3.5Å; I119-L121 PolarHBondContact O-N 3.24Å; L121-T124 WeakPolarHBondContact O-CB 3.4Å; L121-T124 PolarHBondContact O-N 3.49Å; L121-I125 HydrophobicContact CB-CD1 4.15Å; L121-I125 VanDerWaalsContact O-CG1 3.3Å; L121-I125 WeakPolarHBondContact O-CG1 3.46Å; L121-I125 PolarHBondContact O-N 2.86Å
122L93.3Very high88Confident2 Ų29.2 Ų9.21%0.015%0.046CC..Hα-helixtrans-63.8-44.3-174.6-167.358.8000113.7T118 I119 E120 T124 I125 I126 L271 L367T118-L122 PolarHBondContact O-N 3.21Å; I119-L122 WeakPolarHBondContact O-CB 3.31Å; I119-L122 PolarHBondContact O-N 3.46Å; I119-L122 VanDerWaalsContact O-N 3.09Å; E120-L122 PolarHBondContact O-N 3.06Å; L122-T124 VanDerWaalsContact C-N 3.28Å; L122-T124 PolarHBondContact O-N 3.44Å; L122-I125 PolarHBondContact O-N 3.28Å; L122-I126 HydrophobicContact CD1-CD1 4.07Å; L122-I126 HydrophobicContact CD1-CG1 4.34Å; L122-I126 HydrophobicContact CG-CD1 3.89Å; L122-I126 WeakPolarHBondContact O-CB 3.34Å; L122-I126 VanDerWaalsContact O-CG1 3.24Å; L122-I126 WeakPolarHBondContact O-CG1 3.35Å; L122-I126 PolarHBondContact O-N 2.97Å; L122-L271 HydrophobicContact CD1-CD2 3.95Å; L122-L367 HydrophobicContact CD2-CB 4.11Å; L122-L367 WeakPolarHBondContact CD2-O 3.38Å
123P92.9Very high88.4Confident0 Ų06.8 Ų6.80%03%0.032CC..Hα-helixtrans-59.6-39.3173.3-21.633.8000112.2E120 I126 Y127 Y371 L387 L390E120-P123 VanDerWaalsContact O-CD 3.3Å; E120-P123 WeakPolarHBondContact O-CD 3.31Å; P123-I126 PolarHBondContact O-N 3.29Å; P123-Y127 VanDerWaalsContact O-CB 3.27Å; P123-Y127 WeakPolarHBondContact O-CB 3.28Å; P123-Y127 PolarHBondContact O-N 3.1Å; P123-Y371 HydrophobicContact CG-CD1 4.39Å; P123-Y371 HydrophobicContact CG-CD2 3.73Å; P123-Y371 HydrophobicContact CG-CE1 4.1Å; P123-Y371 HydrophobicContact CG-CE2 3.37Å; P123-Y371 HydrophobicContact CG-CG 4.23Å; P123-L387 HydrophobicContact CB-CB 4.29Å; P123-L390 HydrophobicContact CB-CD2 4.46Å
124T92.7Very high88.6Confident0 Ų05 Ų50%02%0.022CC..Hα-helixtrans-67.4-43.8179.1-53.60000111.6E52 L55 L56 L121 L122 Y127 V128 S386E52-T124 HydrophobicContact CB-CG2 4.06Å; E52-T124 HydrophobicContact CG-CG2 3.91Å; E52-T124 PolarHBondContact OE1-OG1 3.13Å; E52-T124 PolarHBondContact OE2-OG1 3.46Å; L55-T124 HydrophobicContact CB-CG2 4.32Å; L55-T124 HydrophobicContact CD1-CG2 4.3Å; L56-T124 HydrophobicContact CG-CG2 4.46Å; L121-T124 WeakPolarHBondContact O-CB 3.4Å; L121-T124 PolarHBondContact O-N 3.49Å; L122-T124 VanDerWaalsContact C-N 3.28Å; L122-T124 PolarHBondContact O-N 3.44Å; T124-Y127 PolarHBondContact O-N 2.95Å; T124-V128 WeakPolarHBondContact O-CG2 3.31Å; T124-V128 PolarHBondContact O-N 2.86Å; T124-S386 WeakPolarHBondContact OG1-CB 3.41Å; T124-S386 PolarHBondContact OG1-OG 2.83Å
125I94.4Very high88.4Confident0 Ų06.5 Ų6.50%03%0.029CC..Hα-helixtrans-66-42.3176.1-68.6168.7000111L55 L82 L121 L122 V128 Y129 F267 F270 L271L55-I125 HydrophobicContact CD1-CD1 4.44Å; L55-I125 HydrophobicContact CD1-CG1 3.77Å; L82-I125 HydrophobicContact CD1-CD1 3.82Å; L121-I125 HydrophobicContact CB-CD1 4.15Å; L121-I125 VanDerWaalsContact O-CG1 3.3Å; L121-I125 WeakPolarHBondContact O-CG1 3.46Å; L121-I125 PolarHBondContact O-N 2.86Å; L122-I125 PolarHBondContact O-N 3.28Å; I125-V128 PolarHBondContact O-N 3.04Å; I125-Y129 WeakPolarHBondContact O-CB 3.47Å; I125-Y129 PolarHBondContact O-N 3.37Å; I125-F267 HydrophobicContact CG2-CD1 3.77Å; I125-F267 HydrophobicContact CG2-CE1 4.16Å; I125-F270 HydrophobicContact CD1-CD1 4.29Å; I125-F270 HydrophobicContact CD1-CE1 3.53Å; I125-F270 HydrophobicContact CD1-CZ 3.76Å; I125-F270 HydrophobicContact CG2-CD1 3.84Å; I125-F270 HydrophobicContact CG2-CE1 3.89Å; I125-L271 HydrophobicContact CG2-CD2 4.16Å; I125-L271 HydrophobicContact CG2-CG 4.45Å
126I93.5Very high87.9Confident0 Ų05.9 Ų5.90%03%0.026CC..Hα-helixtrans-65.3-39.6176.4-69.2171.7000110.7L122 P123 Y129 F130 L271 L364 M368 L390 F492L122-I126 HydrophobicContact CD1-CD1 4.07Å; L122-I126 HydrophobicContact CD1-CG1 4.34Å; L122-I126 HydrophobicContact CG-CD1 3.89Å; L122-I126 WeakPolarHBondContact O-CB 3.34Å; L122-I126 VanDerWaalsContact O-CG1 3.24Å; L122-I126 WeakPolarHBondContact O-CG1 3.35Å; L122-I126 PolarHBondContact O-N 2.97Å; P123-I126 PolarHBondContact O-N 3.29Å; I126-Y129 PolarHBondContact O-N 2.99Å; I126-F130 HydrophobicContact CG2-CD2 3.69Å; I126-F130 HydrophobicContact CG2-CE2 3.6Å; I126-F130 VanDerWaalsContact O-CD2 3.25Å; I126-F130 WeakPolarHBondContact O-CD2 3.27Å; I126-F130 PolarHBondContact O-N 3.14Å; I126-L271 HydrophobicContact CG1-CD2 3.87Å; I126-L364 HydrophobicContact CD1-CD2 4.36Å; I126-L364 HydrophobicContact CG1-CD2 4.18Å; I126-M368 HydrophobicContact CD1-CG 4.08Å; I126-M368 HydrophobicContact CD1-SD 3.71Å; I126-L390 HydrophobicContact CB-CD2 4.31Å; I126-L390 HydrophobicContact CG2-CD1 3.95Å; I126-L390 HydrophobicContact CG2-CD2 3.89Å; I126-F492 HydrophobicContact CG2-CZ 4.07Å
127Y91.7Very high86.9Confident44 Ų449 Ų917%0.1734%0.04CC..Hα-helixtrans-60.6-50.9173.5175.3-99.1000111.9L56 I59 P123 T124 Y129 F130 C131 K389 L393L56-Y127 HydrophobicContact CD2-CD1 3.68Å; L56-Y127 HydrophobicContact CD2-CE1 3.61Å; I59-Y127 HydrophobicContact CD1-CD1 4.09Å; I59-Y127 HydrophobicContact CD1-CE1 3.61Å; P123-Y127 VanDerWaalsContact O-CB 3.27Å; P123-Y127 WeakPolarHBondContact O-CB 3.28Å; P123-Y127 PolarHBondContact O-N 3.1Å; T124-Y127 PolarHBondContact O-N 2.95Å; Y127-Y129 VanDerWaalsContact C-N 3.34Å; Y127-Y129 PolarHBondContact O-N 3.44Å; Y127-F130 PolarHBondContact O-N 3.27Å; Y127-C131 WeakPolarHBondContact O-CB 3.33Å; Y127-C131 PolarHBondContact O-N 2.98Å; Y127-C131 PolarHBondContact O-SG 2.64Å; Y127-K389 HydrophobicContact CD2-CB 4.35Å; Y127-K389 HydrophobicContact CE2-CB 4.17Å; Y127-L393 HydrophobicContact CD2-CB 4.27Å; Y127-L393 HydrophobicContact CD2-CD2 3.82Å; Y127-L393 HydrophobicContact CE2-CB 4.1Å; Y127-L393 HydrophobicContact CE2-CD1 4.27Å; Y127-L393 HydrophobicContact CE2-CD2 4.03Å; Y127-L393 HydrophobicContact CE2-CG 4.36Å
128V90.9Very high85.3Confident0 Ų011.9 Ų11.90%06%0.061CC..Hα-helixtrans-60.3-44.1177172.60000110.8L55 L56 I59 T124 I125 F130 C131 L132 F267L55-V128 HydrophobicContact CB-CG2 4.2Å; L55-V128 WeakPolarHBondContact O-CG2 3.21Å; L56-V128 HydrophobicContact CD2-CG2 4.29Å; I59-V128 HydrophobicContact CD1-CG2 4.05Å; I59-V128 HydrophobicContact CG1-CG1 4.36Å; I59-V128 HydrophobicContact CG1-CG2 4.24Å; T124-V128 WeakPolarHBondContact O-CG2 3.31Å; T124-V128 PolarHBondContact O-N 2.86Å; I125-V128 PolarHBondContact O-N 3.04Å; V128-F130 PolarHBondContact O-N 2.86Å; V128-C131 PolarHBondContact O-N 3.42Å; V128-L132 HydrophobicContact CG1-CD1 3.8Å; V128-L132 HydrophobicContact CG1-CG 4.22Å; V128-L132 VanDerWaalsContact O-CG 3.27Å; V128-L132 WeakPolarHBondContact O-CG 3.29Å; V128-L132 PolarHBondContact O-N 2.84Å; V128-F267 HydrophobicContact CG1-CD2 4.5Å; V128-F267 HydrophobicContact CG1-CE1 4.48Å; V128-F267 HydrophobicContact CG1-CE2 3.74Å; V128-F267 HydrophobicContact CG1-CZ 3.72Å
129Y92.3Very high83.2Confident0 Ų013.9 Ų13.90%07%0.073CC..Hα-helixtrans-55-51.9174.5170.4-103000111.9I125 I126 Y127 C131 L132 F133 I264 F267 E268 L271 F355 R360 L364I125-Y129 WeakPolarHBondContact O-CB 3.47Å; I125-Y129 PolarHBondContact O-N 3.37Å; I126-Y129 PolarHBondContact O-N 2.99Å; Y127-Y129 VanDerWaalsContact C-N 3.34Å; Y127-Y129 PolarHBondContact O-N 3.44Å; Y129-C131 PolarHBondContact O-N 2.92Å; Y129-L132 PolarHBondContact O-N 2.96Å; Y129-F133 VanDerWaalsContact O-CB 3.23Å; Y129-F133 WeakPolarHBondContact O-CB 3.45Å; Y129-F133 PolarHBondContact O-N 3.44Å; Y129-I264 HydrophobicContact CE2-CG2 4.08Å; Y129-F267 HydrophobicContact CD2-CB 4.17Å; Y129-E268 HydrophobicContact CD2-CG 4.12Å; Y129-E268 HydrophobicContact CE2-CG 3.37Å; Y129-E268 VanDerWaalsContact CE2-OE1 3.26Å; Y129-E268 WeakPolarHBondContact CE2-OE1 3.1Å; Y129-E268 PolarHBondContact OH-OE1 2.6Å; Y129-L271 HydrophobicContact CD1-CD1 4.4Å; Y129-L271 HydrophobicContact CD2-CD1 4.38Å; Y129-L271 HydrophobicContact CG-CD1 4.04Å; Y129-F355 HydrophobicContact CE1-CZ 4.5Å; Y129-F355 HydrophobicContact CE2-CE1 4.45Å; Y129-F355 AromaticContact CZ-CE1 3.98Å; Y129-R360 WeakPolarHBondContact OH-CD 3.2Å; Y129-L364 HydrophobicContact CD1-CD1 4.38Å; Y129-L364 HydrophobicContact CE1-CD1 4.23Å
130F89.5Confident80.9Confident0 Ų018.7 Ų18.70%09%0.094CC..Hα-helixtrans-64.5-40.8178.7-82.8-66.2000112.4I126 Y127 V128 F133 I134 M361 L364 L390 L393 F394 V485 L488 F492I126-F130 HydrophobicContact CG2-CD2 3.69Å; I126-F130 HydrophobicContact CG2-CE2 3.6Å; I126-F130 VanDerWaalsContact O-CD2 3.25Å; I126-F130 WeakPolarHBondContact O-CD2 3.27Å; I126-F130 PolarHBondContact O-N 3.14Å; Y127-F130 PolarHBondContact O-N 3.27Å; V128-F130 PolarHBondContact O-N 2.86Å; F130-F133 PolarHBondContact O-N 3.11Å; F130-I134 WeakPolarHBondContact O-CB 3.47Å; F130-I134 VanDerWaalsContact O-CD1 3.31Å; F130-I134 WeakPolarHBondContact O-CD1 3.41Å; F130-I134 WeakPolarHBondContact O-CG1 3.47Å; F130-I134 PolarHBondContact O-N 2.96Å; F130-M361 HydrophobicContact CE1-CE 4.21Å; F130-M361 HydrophobicContact CZ-CE 3.94Å; F130-L364 HydrophobicContact CE1-CD1 4.4Å; F130-L364 HydrophobicContact CE2-CD1 3.71Å; F130-L364 HydrophobicContact CZ-CD1 3.52Å; F130-L390 HydrophobicContact CD2-CD1 4.12Å; F130-L393 HydrophobicContact CB-CD2 3.6Å; F130-F394 HydrophobicContact CD1-CE1 4.19Å; F130-F394 HydrophobicContact CD2-CE1 4Å; F130-F394 AromaticContact CD2-CZ 3.7Å; F130-F394 HydrophobicContact CD2-CZ 3.7Å; F130-F394 HydrophobicContact CE1-CE1 4.21Å; F130-F394 HydrophobicContact CE2-CE1 4.02Å; F130-F394 AromaticContact CE2-CZ 3.61Å; F130-F394 HydrophobicContact CE2-CZ 3.61Å; F130-F394 HydrophobicContact CG-CE1 4.09Å; F130-F394 HydrophobicContact CG-CZ 4.25Å; F130-F394 HydrophobicContact CZ-CE1 4.11Å; F130-F394 HydrophobicContact CZ-CZ 4.07Å; F130-V485 HydrophobicContact CD1-CG1 3.83Å; F130-V485 HydrophobicContact CD1-CG2 4.31Å; F130-V485 HydrophobicContact CE1-CG1 3.7Å; F130-L488 HydrophobicContact CZ-CD1 4.19Å; F130-F492 HydrophobicContact CE2-CE1 4.02Å; F130-F492 AromaticContact CE2-CZ 3.76Å; F130-F492 HydrophobicContact CE2-CZ 3.76Å; F130-F492 HydrophobicContact CZ-CE1 4.25Å; F130-F492 HydrophobicContact CZ-CZ 4.28Å
131C86.2Confident78.1Confident0 Ų022.4 Ų22.40%012%0.12CC..Hα-helixtrans-58-52175.2-75.10000111.5I59 Y127 V128 Y129 F133 I134 F135 F482I59-C131 HydrophobicContact CD1-CB 3.93Å; I59-C131 HydrophobicContact CG1-CB 4.18Å; I59-C131 HydrophobicContact CG2-CB 4.16Å; Y127-C131 WeakPolarHBondContact O-CB 3.33Å; Y127-C131 PolarHBondContact O-N 2.98Å; Y127-C131 PolarHBondContact O-SG 2.64Å; V128-C131 PolarHBondContact O-N 3.42Å; Y129-C131 PolarHBondContact O-N 2.92Å; C131-F133 VanDerWaalsContact C-N 3.33Å; C131-F133 PolarHBondContact O-N 3.4Å; C131-I134 PolarHBondContact O-N 3.19Å; C131-F135 WeakPolarHBondContact O-CD2 3.26Å; C131-F135 PolarHBondContact O-N 3.38Å; C131-F482 HydrophobicContact CB-CE1 4.25Å
132L86.5Confident75.3Confident0 Ų032.4 Ų32.40%016%0.159CC..Hα-helixtrans-61.6-40.5177.9-64.4173.7000111.9V128 Y129 F135 F136 L263 I264 F267V128-L132 HydrophobicContact CG1-CD1 3.8Å; V128-L132 HydrophobicContact CG1-CG 4.22Å; V128-L132 VanDerWaalsContact O-CG 3.27Å; V128-L132 WeakPolarHBondContact O-CG 3.29Å; V128-L132 PolarHBondContact O-N 2.84Å; Y129-L132 PolarHBondContact O-N 2.96Å; L132-F135 PolarHBondContact O-N 2.94Å; L132-F136 HydrophobicContact CB-CD2 4.37Å; L132-F136 HydrophobicContact CB-CE2 4.14Å; L132-F136 HydrophobicContact CD2-CE2 3.75Å; L132-F136 HydrophobicContact CD2-CZ 3.96Å; L132-F136 HydrophobicContact CG-CE2 4.49Å; L132-F136 WeakPolarHBondContact O-CD2 3.39Å; L132-F136 WeakPolarHBondContact O-CG 3.37Å; L132-F136 PolarHBondContact O-N 3.04Å; L132-L263 HydrophobicContact CD1-CD2 3.65Å; L132-L263 HydrophobicContact CD1-CG 3.77Å; L132-L263 HydrophobicContact CD2-CD2 3.93Å; L132-L263 HydrophobicContact CG-CD2 4.46Å; L132-I264 HydrophobicContact CB-CG1 4.1Å; L132-F267 HydrophobicContact CD1-CD2 3.78Å; L132-F267 HydrophobicContact CD1-CE2 3.63Å
133F84.5Confident72.3Confident18 Ų1838.5 Ų38.58%0.07919%0.188CC..Hα-helixtrans-60.4-47.9175.7-175-92.1000111.7Y129 F130 C131 E137Y129-F133 VanDerWaalsContact O-CB 3.23Å; Y129-F133 WeakPolarHBondContact O-CB 3.45Å; Y129-F133 PolarHBondContact O-N 3.44Å; F130-F133 PolarHBondContact O-N 3.11Å; C131-F133 VanDerWaalsContact C-N 3.33Å; C131-F133 PolarHBondContact O-N 3.4Å; F133-E137 HydrophobicContact CE1-CB 4.34Å; F133-E137 WeakPolarHBondContact CE1-OE2 3.46Å; F133-E137 HydrophobicContact CZ-CB 4.36Å; F133-E137 HydrophobicContact CZ-CG 4.42Å; F133-E137 WeakPolarHBondContact CZ-OE1 3.4Å; F133-E137 VanDerWaalsContact CZ-OE2 3.27Å; F133-E137 WeakPolarHBondContact CZ-OE2 3.36Å; F133-E137 WeakPolarHBondContact O-CB 3.33Å; F133-E137 PolarHBondContact O-N 3.33Å
134I79.6Confident69.1Low8 Ų844.2 Ų44.24%0.04122%0.223CC..Hα-helixtrans-60.6-47.3175.8-64.3157.5000110.8F130 C131 L393 F482 S483 V485F130-I134 WeakPolarHBondContact O-CB 3.47Å; F130-I134 VanDerWaalsContact O-CD1 3.31Å; F130-I134 WeakPolarHBondContact O-CD1 3.41Å; F130-I134 WeakPolarHBondContact O-CG1 3.47Å; F130-I134 PolarHBondContact O-N 2.96Å; C131-I134 PolarHBondContact O-N 3.19Å; I134-L393 HydrophobicContact CD1-CD1 4.04Å; I134-L393 HydrophobicContact CD1-CD2 4.37Å; I134-L393 HydrophobicContact CD1-CG 4.29Å; I134-F482 HydrophobicContact CB-CD1 4.22Å; I134-F482 HydrophobicContact CD1-CB 4.48Å; I134-F482 HydrophobicContact CD1-CD1 3.95Å; I134-F482 HydrophobicContact CG2-CB 4.1Å; I134-F482 HydrophobicContact CG2-CD1 3.83Å; I134-F482 HydrophobicContact CG2-CG 4.48Å; I134-S483 WeakPolarHBondContact CG2-O 3.3Å; I134-S483 WeakPolarHBondContact CG2-OG 3.4Å; I134-V485 HydrophobicContact CD1-CG2 3.52Å; I134-V485 HydrophobicContact CG1-CG2 3.72Å
135F74.7Confident65.9Low31 Ų3154.2 Ų54.214%0.13627%0.266CS..Hα-helixtrans-60.5-47.8-179.2-85.7-64.5000112.3I59 P60 C131 L132 S138 L480 F482I59-F135 HydrophobicContact CG2-CD2 4.27Å; I59-F135 HydrophobicContact CG2-CE2 3.6Å; P60-F135 WeakPolarHBondContact O-CZ 3.36Å; C131-F135 WeakPolarHBondContact O-CD2 3.26Å; C131-F135 PolarHBondContact O-N 3.38Å; L132-F135 PolarHBondContact O-N 2.94Å; F135-S138 PolarHBondContact O-OG 2.96Å; F135-L480 HydrophobicContact CE1-CD2 3.83Å; F135-L480 HydrophobicContact CZ-CD1 4.13Å; F135-L480 HydrophobicContact CZ-CD2 3.71Å; F135-L480 HydrophobicContact CZ-CG 4.39Å; F135-F482 HydrophobicContact CD2-CE1 4.09Å; F135-F482 HydrophobicContact CE2-CD1 4.44Å; F135-F482 AromaticContact CE2-CE1 3.45Å; F135-F482 HydrophobicContact CE2-CE1 3.45Å; F135-F482 VanDerWaalsContact CE2-CE1 3.45Å; F135-F482 AromaticContact CE2-CZ 3.89Å; F135-F482 HydrophobicContact CE2-CZ 3.89Å; F135-F482 AromaticContact CZ-CE1 3.82Å; F135-F482 HydrophobicContact CZ-CE1 3.82Å; F135-F482 HydrophobicContact CZ-CZ 4.04Å
136F73.4Confident62.6Low3 Ų357.5 Ų57.51%0.01329%0.289CS..Hα-helixtrans-94.3-20.9-170.9-51.4-34.9000114.1P60 I67 L132 S138 T139 Q260 I264P60-F136 HydrophobicContact CG-CE1 4.07Å; P60-F136 HydrophobicContact CG-CZ 3.9Å; I67-F136 HydrophobicContact CD1-CE2 3.87Å; I67-F136 HydrophobicContact CD1-CZ 3.73Å; I67-F136 HydrophobicContact CG1-CE2 4.43Å; I67-F136 HydrophobicContact CG1-CZ 3.83Å; L132-F136 HydrophobicContact CB-CD2 4.37Å; L132-F136 HydrophobicContact CB-CE2 4.14Å; L132-F136 HydrophobicContact CD2-CE2 3.75Å; L132-F136 HydrophobicContact CD2-CZ 3.96Å; L132-F136 HydrophobicContact CG-CE2 4.49Å; L132-F136 WeakPolarHBondContact O-CD2 3.39Å; L132-F136 WeakPolarHBondContact O-CG 3.37Å; L132-F136 PolarHBondContact O-N 3.04Å; F136-S138 PolarHBondContact O-N 3.24Å; F136-T139 PolarHBondContact O-N 3.41Å; F136-T139 PolarHBondContact O-OG1 3.15Å; F136-Q260 HydrophobicContact CD1-CB 4.15Å; F136-Q260 HydrophobicContact CD1-CG 3.89Å; F136-Q260 HydrophobicContact CD2-CB 3.68Å; F136-Q260 HydrophobicContact CD2-CG 4.16Å; F136-Q260 HydrophobicContact CE1-CB 4.26Å; F136-Q260 HydrophobicContact CE1-CG 3.66Å; F136-Q260 HydrophobicContact CE2-CB 3.78Å; F136-Q260 HydrophobicContact CE2-CG 3.92Å; F136-Q260 HydrophobicContact CG-CB 3.9Å; F136-Q260 HydrophobicContact CG-CG 4.17Å; F136-Q260 HydrophobicContact CZ-CB 4.1Å; F136-Q260 HydrophobicContact CZ-CG 3.69Å; F136-I264 HydrophobicContact CB-CD1 4.01Å; F136-I264 HydrophobicContact CD2-CD1 3.69Å; F136-I264 HydrophobicContact CD2-CG1 4.03Å; F136-I264 HydrophobicContact CG-CD1 4.35Å
137E64.7Low59.3Low75 Ų7564 Ų6435%0.3533%0.331SS..Hα-helixtrans-64.5-31.4169.4-174.1160.3-109.600111.6F133 T139 K140F133-E137 HydrophobicContact CE1-CB 4.34Å; F133-E137 WeakPolarHBondContact CE1-OE2 3.46Å; F133-E137 HydrophobicContact CZ-CB 4.36Å; F133-E137 HydrophobicContact CZ-CG 4.42Å; F133-E137 WeakPolarHBondContact CZ-OE1 3.4Å; F133-E137 VanDerWaalsContact CZ-OE2 3.27Å; F133-E137 WeakPolarHBondContact CZ-OE2 3.36Å; F133-E137 WeakPolarHBondContact O-CB 3.33Å; F133-E137 PolarHBondContact O-N 3.33Å; E137-T139 PolarHBondContact O-N 3.16Å; E137-K140 WeakPolarHBondContact O-CB 3.25Å; E137-K140 PolarHBondContact O-N 3.23Å
138S51.5Low56.2Low64 Ų6468 Ų6845%0.44835%0.354SS..Hα-helixtrans-57.2-31.6173.880.80000113.4F135 F136 S141F135-S138 PolarHBondContact O-OG 2.96Å; F136-S138 PolarHBondContact O-N 3.24Å; S138-S141 PolarHBondContact O-OG 2.89Å
139T46.2Very low53.1Low44 Ų4473.3 Ų73.327%0.2739%0.391SS..Hα-helixtrans-79.4-22.4-176.870.90000113F136 E137 S141 Y142F136-T139 PolarHBondContact O-N 3.41Å; F136-T139 PolarHBondContact O-OG1 3.15Å; E137-T139 PolarHBondContact O-N 3.16Å; T139-S141 PolarHBondContact O-N 3.28Å; T139-Y142 PolarHBondContact O-N 3.48Å
140K38.9Very low50Low102 Ų10278.6 Ų78.644%0.44342%0.419SS..Hα-helixtrans-61.7-25174.9-67-179.3-178.1168.80112.9E137 Y142 Q143E137-K140 WeakPolarHBondContact O-CB 3.25Å; E137-K140 PolarHBondContact O-N 3.23Å; K140-Y142 PolarHBondContact O-N 3.49Å; K140-Y142 VanDerWaalsContact O-N 3.1Å; K140-Q143 PolarHBondContact O-N 3.38Å
141S31.8Very low47Very low79 Ų7984.1 Ų84.155%0.55246%0.457SS*.THydrogen-bonded Turntrans-61-17-179.664.80000114.8S138 T139S138-S141 PolarHBondContact O-OG 2.89Å; T139-S141 PolarHBondContact O-N 3.28Å
142Y31.3Very low44.5Very low210 Ų21088.4 Ų88.482%0.82448%0.48SS*.THydrogen-bonded Turntrans-95.63.2-178.2-78.2-85.9000115.4T139 K140T139-Y142 PolarHBondContact O-N 3.48Å; K140-Y142 PolarHBondContact O-N 3.49Å; K140-Y142 VanDerWaalsContact O-N 3.1Å
143Q30.9Very low42Very low131 Ų13193.4 Ų93.461%0.61250%0.502SS*.  trans-1275.6-175.4-67.2-167.5-2.500116.2K140 K145K140-Q143 PolarHBondContact O-N 3.38Å; Q143-K145 PolarHBondContact O-N 2.91Å
144T26.9Very low39.6Very low120 Ų12096.1 Ų96.174%0.73652%0.522SS*.  trans-77.161.6-177.946.70000114.3
145K25.3Very low37.5Very low210 Ų210100.3 Ų100.391%0.91354%0.544SS*.SBendtrans-131.126158.5-80.6-163.1177-175.80113.5Q143Q143-K145 PolarHBondContact O-N 2.91Å
146S25.2Very low35.7Very low69 Ų69102.8 Ų102.848%0.48356%0.558SS.*SBendtrans-164.9129.3162.9500000109.8I148S146-I148 VanDerWaalsContact C-N 3.34Å; S146-I148 PolarHBondContact O-N 3.29Å
147P23.4Very low34Very low136 Ų136111.2 Ų111.288%0.88359%0.594SS**  trans-76.487.4172.831.9-32.4000109.3S149P147-S149 PolarHBondContact O-N 2.85Å
148I27.5Very low32.7Very low127 Ų127110 Ų11065%0.65159%0.59SS**  trans-85102.1170.3-53.2-177.9000107.5S146 I150S146-I148 VanDerWaalsContact C-N 3.34Å; S146-I148 PolarHBondContact O-N 3.29Å; I148-I150 VanDerWaalsContact C-N 3.34Å; I148-I150 HydrophobicContact CB-CG1 4.38Å; I148-I150 HydrophobicContact CG2-CD1 4.22Å; I148-I150 HydrophobicContact CG2-CG1 3.65Å; I148-I150 PolarHBondContact O-N 2.93Å
149S24Very low31.8Very low112 Ų112111.7 Ų111.778%0.78359%0.594SS**  trans-69.686.8171.844.70000110.4P147 S151P147-S149 PolarHBondContact O-N 2.85Å; S149-S151 PolarHBondContact O-N 2.79Å
150I28.4Very low31.4Very low112 Ų112119 Ų11957%0.57462%0.622SS**  trans-85.591.6175.6-54.3-178.2000109.4I148 N152I148-I150 VanDerWaalsContact C-N 3.34Å; I148-I150 HydrophobicContact CB-CG1 4.38Å; I148-I150 HydrophobicContact CG2-CD1 4.22Å; I148-I150 HydrophobicContact CG2-CG1 3.65Å; I148-I150 PolarHBondContact O-N 2.93Å; I150-N152 VanDerWaalsContact CG2-OD1 3.27Å; I150-N152 WeakPolarHBondContact CG2-OD1 3.49Å; I150-N152 PolarHBondContact O-N 3.39Å
151S26.5Very low31.3Very low116 Ų116120.6 Ų120.681%0.81164%0.635SS**  trans-78.988.2169.544.90000110.8S149S149-S151 PolarHBondContact O-N 2.79Å
152N33.4Very low31.4Very low90 Ų90122.3 Ų122.348%0.48163%0.633SS.*  trans-75.9126175.4-71.6-36.2000111I150I150-N152 VanDerWaalsContact CG2-OD1 3.27Å; I150-N152 WeakPolarHBondContact CG2-OD1 3.49Å; I150-N152 PolarHBondContact O-N 3.39Å
153K33.2Very low31.4Very low104 Ų104118.8 Ų118.845%0.45263%0.628SS.*  trans-131.5155.5173.1-103.5-156.3179.3-146.40111L188K153-L188 HydrophobicContact CB-CD1 3.67Å; K153-L188 HydrophobicContact CB-CD2 3.58Å; K153-L188 HydrophobicContact CB-CG 4.11Å; K153-L188 HydrophobicContact CD-CD1 3.79Å; K153-L188 HydrophobicContact CG-CD1 4.39Å
154P36Very low31.5Very low76 Ų76117.6 Ų117.649%0.49462%0.621SS.*  trans-83.1168.8-153.632.6-38.3000115.6L158P154-L158 HydrophobicContact CB-CD1 3.97Å
155D34.1Very low31.8Very low95 Ų95118.4 Ų118.451%0.50862%0.62SS.*  trans-75.8148.7-170-136.2-22.4000114.7K157 L158D155-K157 PolarHBondContact O-N 2.99Å; D155-L158 PolarHBondContact O-N 3.14Å; D155-L158 VanDerWaalsContact O-N 3.11Å
156I37.4Very low32.3Very low83 Ų83116.5 Ų116.543%0.42661%0.612SS.*THydrogen-bonded Turntrans-68.2-5.8-167.1-68.8161.5000113.5L189 N192I156-L189 HydrophobicContact CD1-CD1 4.08Å; I156-N192 HydrophobicContact CD1-CB 4.13Å
157K37.4Very low32.8Very low180 Ų180118.8 Ų118.878%0.78361%0.614SS**THydrogen-bonded Turntrans-79.6-20.9173.2-73.2-178.7177.5175.70114.3D155D155-K157 PolarHBondContact O-N 2.99Å
158L37.3Very low33.3Very low49 Ų49117.9 Ų117.926%0.25760%0.598SS.*G310 helixtrans-69.8-37.3179.9-91.4148.3000113P154 D155 K160 L161 F162P154-L158 HydrophobicContact CB-CD1 3.97Å; D155-L158 PolarHBondContact O-N 3.14Å; D155-L158 VanDerWaalsContact O-N 3.11Å; L158-K160 PolarHBondContact O-N 2.92Å; L158-K160 VanDerWaalsContact O-N 3.09Å; L158-L161 PolarHBondContact O-N 3.4Å; L158-F162 HydrophobicContact CD2-CE2 4.24Å
159N33Very low33.6Very low101 Ų101115.9 Ų115.954%0.5460%0.595SS.*G310 helixtrans-70.6-4.7-176.8-71.40.8000114.9
160K38.5Very low34.1Very low197 Ų197118 Ų11886%0.85760%0.596SS**G310 helixtrans-100.3-3.9176.1-75.5-168.1172.9-171.30114.5L158L158-K160 PolarHBondContact O-N 2.92Å; L158-K160 VanDerWaalsContact O-N 3.09Å
161L35.2Very low34.3Very low136 Ų136117.7 Ų117.771%0.71260%0.595SS**THydrogen-bonded Turntrans-105.5-26177.2-98.1148.5000112.8L158 N163L158-L161 PolarHBondContact O-N 3.4Å; L161-N163 PolarHBondContact O-N 3.23Å
162F34.3Very low34.7Very low115 Ų115121.1 Ų121.150%0.50460%0.596SS.*SBendtrans-77.1107.3163.6-70.8-77.6000109.6L158 F164L158-F162 HydrophobicContact CD2-CE2 4.24Å; F162-F164 HydrophobicContact CB-CD2 3.53Å; F162-F164 HydrophobicContact CB-CE2 3.55Å; F162-F164 HydrophobicContact CG-CE2 4.2Å; F162-F164 PolarHBondContact O-N 3.47Å
163N31.8Very low34.8Very low135 Ų135125.6 Ų125.672%0.72261%0.614SS**  trans-7672.8176.1-147.37.8000109.3L161 D165 K166L161-N163 PolarHBondContact O-N 3.23Å; N163-D165 PolarHBondContact O-N 3.02Å; N163-D165 VanDerWaalsContact O-N 3.12Å; N163-K166 PolarHBondContact O-N 3.19Å
164F32Very low35Very low107 Ų107125.6 Ų125.647%0.46962%0.619SS.*G310 helixtrans-59.9-22.5-168.5-103.3-84.9000114.2F162 K166 F167 H168F162-F164 HydrophobicContact CB-CD2 3.53Å; F162-F164 HydrophobicContact CB-CE2 3.55Å; F162-F164 HydrophobicContact CG-CE2 4.2Å; F162-F164 PolarHBondContact O-N 3.47Å; F164-K166 PolarHBondContact O-N 3.48Å; F164-F167 HydrophobicContact CD1-CB 4.41Å; F164-F167 WeakPolarHBondContact O-CA 3.48Å; F164-F167 WeakPolarHBondContact O-CB 3.34Å; F164-F167 PolarHBondContact O-N 3.38Å; F164-H168 PolarHBondContact O-N 3.44Å
165D34.7Very low35Very low136 Ų136130 Ų13073%0.72763%0.633SS**G310 helixtrans-65.4-21.6-176.6-60.4-29.6000113.4N163N163-D165 PolarHBondContact O-N 3.02Å; N163-D165 VanDerWaalsContact O-N 3.12Å
166K36.2Very low35.2Very low171 Ų171131.6 Ų131.674%0.74364%0.641SS**G310 helixtrans-91.3-12.3171.5-146.2179.8-176-172.10113.7N163 F164N163-K166 PolarHBondContact O-N 3.19Å; F164-K166 PolarHBondContact O-N 3.48Å
167F33.8Very low35.2Very low117 Ų117130.1 Ų130.151%0.51363%0.634SS.*THydrogen-bonded Turntrans-82.8-19.1171.9-114.7-93.4000112.3F164 S169 L171F164-F167 HydrophobicContact CD1-CB 4.41Å; F164-F167 WeakPolarHBondContact O-CA 3.48Å; F164-F167 WeakPolarHBondContact O-CB 3.34Å; F164-F167 PolarHBondContact O-N 3.38Å; F167-S169 VanDerWaalsContact C-N 3.3Å; F167-S169 PolarHBondContact O-N 2.97Å; F167-L171 HydrophobicContact CD1-CD1 4.11Å
168H33.9Very low35.3Very low117 Ų117124.5 Ų124.554%0.54262%0.615SS.*THydrogen-bonded Turntrans-73.1-14.3-172-127-60.2000115.1F164F164-H168 PolarHBondContact O-N 3.44Å
169S35Very low35.5Very low85 Ų85128.8 Ų128.859%0.59463%0.633SS**THydrogen-bonded Turntrans-87.2-24.2-177.954.20000114.5F167F167-S169 VanDerWaalsContact C-N 3.3Å; F167-S169 PolarHBondContact O-N 2.97Å
170L33.6Very low35.6Very low155 Ų155128.4 Ų128.481%0.81263%0.629SS**THydrogen-bonded Turntrans-98.1-15.5-177-77.5162.5000114K172L170-K172 VanDerWaalsContact C-N 3.34Å; L170-K172 PolarHBondContact O-N 2.95Å
171L33.3Very low35.5Very low106 Ų106123.1 Ų123.156%0.55561%0.61SS**  trans-92.418.8-179.2-88.4161.9000114.4F167 Q173F167-L171 HydrophobicContact CD1-CD1 4.11Å; L171-Q173 PolarHBondContact O-N 3.1Å
172K35.1Very low35.7Very low188 Ų188121.1 Ų121.182%0.81760%0.6SS**THydrogen-bonded Turntrans-78.533.9-168.3-145.7178.8-174.6-177.30115.1L170L170-K172 VanDerWaalsContact C-N 3.34Å; L170-K172 PolarHBondContact O-N 2.95Å
173Q35.9Very low36Very low185 Ų185123.4 Ų123.486%0.86461%0.607SS**THydrogen-bonded Turntrans-133.24.2179.8-78-168.2-15.300115.5L171L171-Q173 PolarHBondContact O-N 3.1Å
174N36.1Very low36.3Very low104 Ų104120.3 Ų120.356%0.55659%0.588SS**  trans-143.992.1174-81-55.6000112.3D176 I177N174-D176 VanDerWaalsContact C-N 3.31Å; N174-D176 PolarHBondContact O-N 3.28Å; N174-I177 HydrophobicContact CB-CD1 3.72Å; N174-I177 HydrophobicContact CB-CG1 4.08Å
175E36Very low36.5Very low169 Ų169117.5 Ų117.579%0.7958%0.581SS**Hα-helixtrans-67.6-25.9-177.1-66.6-173.5129.600114I177E175-I177 VanDerWaalsContact C-N 3.3Å; E175-I177 PolarHBondContact O-N 3.29Å
176D38.2Very low36.7Very low127 Ų127115.9 Ų115.968%0.67957%0.572SS**Hα-helixtrans-65-31.3-179.4-69.1-34000113.3N174 Q179 M180N174-D176 VanDerWaalsContact C-N 3.31Å; N174-D176 PolarHBondContact O-N 3.28Å; D176-Q179 PolarHBondContact O-N 3.39Å; D176-M180 PolarHBondContact O-N 3.12Å; D176-M180 VanDerWaalsContact O-N 3.09Å
177I38.9Very low36.9Very low53 Ų53111.3 Ų111.327%0.27256%0.556SS.*Hα-helixtrans-68.5-41.2-175.8-61.2177.6000110.4N174 E175 Q179 M180 L181N174-I177 HydrophobicContact CB-CD1 3.72Å; N174-I177 HydrophobicContact CB-CG1 4.08Å; E175-I177 VanDerWaalsContact C-N 3.3Å; E175-I177 PolarHBondContact O-N 3.29Å; I177-Q179 PolarHBondContact O-N 3.17Å; I177-M180 PolarHBondContact O-N 3.16Å; I177-L181 HydrophobicContact CG2-CD1 3.96Å; I177-L181 HydrophobicContact CG2-CG 4.47Å; I177-L181 WeakPolarHBondContact O-CB 3.48Å; I177-L181 VanDerWaalsContact O-CG 3.3Å; I177-L181 WeakPolarHBondContact O-CG 3.48Å; I177-L181 PolarHBondContact O-N 3.45Å
178T38Very low36.9Very low62 Ų62107.6 Ų107.638%0.3854%0.541SS..Hα-helixtrans-66.3-37.5179.2-47.30000111.8N182T178-N182 PolarHBondContact O-N 3.15Å; T178-N182 VanDerWaalsContact O-N 3.12Å; T178-N182 PolarHBondContact O-ND2 3.09Å
179Q41.2Very low37.1Very low139 Ų139105.6 Ų105.665%0.6554%0.535SS*.Hα-helixtrans-68.3-43.3176.4-61.9-166.826.900111.9D176 I177 L181 N182 Y183D176-Q179 PolarHBondContact O-N 3.39Å; I177-Q179 PolarHBondContact O-N 3.17Å; Q179-L181 PolarHBondContact O-N 2.75Å; Q179-N182 PolarHBondContact O-N 3.44Å; Q179-Y183 PolarHBondContact O-N 3.16Å
180M35.3Very low37.2Very low93 Ų93106.1 Ų106.146%0.45853%0.531SS..Hα-helixtrans-63.6-40.7177.4-170.7-178.267.900112.3D176 I177 Y183 Q184D176-M180 PolarHBondContact O-N 3.12Å; D176-M180 VanDerWaalsContact O-N 3.09Å; I177-M180 PolarHBondContact O-N 3.16Å; M180-Y183 PolarHBondContact O-N 3.2Å; M180-Q184 WeakPolarHBondContact O-CG 3.36Å; M180-Q184 PolarHBondContact O-N 2.94Å
181L36.5Very low37.4Very low86 Ų86103.4 Ų103.445%0.4552%0.516SS..Hα-helixtrans-62.7-43.3175.6-73.4170.3000111.9I177 Q179 Q184 S185I177-L181 HydrophobicContact CG2-CD1 3.96Å; I177-L181 HydrophobicContact CG2-CG 4.47Å; I177-L181 WeakPolarHBondContact O-CB 3.48Å; I177-L181 VanDerWaalsContact O-CG 3.3Å; I177-L181 WeakPolarHBondContact O-CG 3.48Å; I177-L181 PolarHBondContact O-N 3.45Å; Q179-L181 PolarHBondContact O-N 2.75Å; L181-Q184 PolarHBondContact O-N 3.07Å; L181-S185 WeakPolarHBondContact O-CB 3.49Å; L181-S185 PolarHBondContact O-N 2.83Å
182N40.9Very low37.5Very low94 Ų94100.3 Ų100.350%0.50350%0.5SS..Hα-helixtrans-63.7-42.3175.9-80.6-28000112.7T178 Q179 Q184 S185 N186T178-N182 PolarHBondContact O-N 3.15Å; T178-N182 VanDerWaalsContact O-N 3.12Å; T178-N182 PolarHBondContact O-ND2 3.09Å; Q179-N182 PolarHBondContact O-N 3.44Å; N182-Q184 PolarHBondContact O-N 3.3Å; N182-S185 PolarHBondContact O-N 3.35Å; N182-N186 PolarHBondContact O-N 3.1Å; N182-N186 PolarHBondContact O-ND2 2.9Å
183Y40.3Very low37.7Very low163 Ų16397.4 Ų97.464%0.63949%0.487SS*.Hα-helixtrans-62.9-43177.1-173.4-103.8000112.2Q179 M180 N187Q179-Y183 PolarHBondContact O-N 3.16Å; M180-Y183 PolarHBondContact O-N 3.2Å; Y183-N187 VanDerWaalsContact CE1-ND2 3.35Å; Y183-N187 WeakPolarHBondContact CE1-ND2 3.36Å; Y183-N187 PolarHBondContact O-N 3.21Å; Y183-N187 PolarHBondContact O-ND2 2.93Å
184Q36.8Very low37.8Very low70 Ų7095.2 Ų95.233%0.32748%0.477SS..Hα-helixtrans-68.4-35.2176.5-70-179.3-20.700112.4M180 L181 N182 L188M180-Q184 WeakPolarHBondContact O-CG 3.36Å; M180-Q184 PolarHBondContact O-N 2.94Å; L181-Q184 PolarHBondContact O-N 3.07Å; N182-Q184 PolarHBondContact O-N 3.3Å; Q184-L188 WeakPolarHBondContact O-CD1 3.36Å; Q184-L188 PolarHBondContact O-N 3.16Å
185S36.1Very low37.9Very low48 Ų4894.5 Ų94.534%0.33647%0.473SS..Hα-helixtrans-63.5-45.2175.8-168.60000112.5L181 N182 N187 L188 L189L181-S185 WeakPolarHBondContact O-CB 3.49Å; L181-S185 PolarHBondContact O-N 2.83Å; N182-S185 PolarHBondContact O-N 3.35Å; S185-N187 PolarHBondContact O-N 3.21Å; S185-L188 PolarHBondContact O-N 2.87Å; S185-L189 PolarHBondContact O-N 3.36Å
186N39.1Very low37.9Very low101 Ų10191.7 Ų91.754%0.5446%0.463SS..Hα-helixtrans-67.5-36.3-178.9-76.1-29.7000113.2N182 L188 L189N182-N186 PolarHBondContact O-N 3.1Å; N182-N186 PolarHBondContact O-ND2 2.9Å; N186-L188 VanDerWaalsContact C-N 3.34Å; N186-L188 PolarHBondContact O-N 3.35Å; N186-L189 WeakPolarHBondContact O-CB 3.42Å; N186-L189 PolarHBondContact O-N 3.5Å
187N41.5Very low38Very low76 Ų7689.8 Ų89.841%0.40645%0.452SS..Hα-helixtrans-67-33.5176.2-76.8-32.6000112.6Y183 S185Y183-N187 VanDerWaalsContact CE1-ND2 3.35Å; Y183-N187 WeakPolarHBondContact CE1-ND2 3.36Å; Y183-N187 PolarHBondContact O-N 3.21Å; Y183-N187 PolarHBondContact O-ND2 2.93Å; S185-N187 PolarHBondContact O-N 3.21Å
188L34.1Very low38.2Very low38 Ų3890.3 Ų90.320%0.19946%0.458CS..Hα-helixtrans-66.9-37.5174.3-77.9155.4000113.3K153 Q184 S185 N186 N190 I191 N192K153-L188 HydrophobicContact CB-CD1 3.67Å; K153-L188 HydrophobicContact CB-CD2 3.58Å; K153-L188 HydrophobicContact CB-CG 4.11Å; K153-L188 HydrophobicContact CD-CD1 3.79Å; K153-L188 HydrophobicContact CG-CD1 4.39Å; Q184-L188 WeakPolarHBondContact O-CD1 3.36Å; Q184-L188 PolarHBondContact O-N 3.16Å; S185-L188 PolarHBondContact O-N 2.87Å; N186-L188 VanDerWaalsContact C-N 3.34Å; N186-L188 PolarHBondContact O-N 3.35Å; L188-N190 PolarHBondContact O-N 3.12Å; L188-I191 PolarHBondContact O-N 3.29Å; L188-N192 PolarHBondContact O-N 2.83Å
189L37.2Very low38.2Very low76 Ų7693 Ų9340%0.39846%0.464SS..Hα-helixtrans-58.9-33.8-179.3-161.679.6000112.4I156 S185 N186 K193I156-L189 HydrophobicContact CD1-CD1 4.08Å; S185-L189 PolarHBondContact O-N 3.36Å; N186-L189 WeakPolarHBondContact O-CB 3.42Å; N186-L189 PolarHBondContact O-N 3.5Å; L189-K193 WeakPolarHBondContact O-CG 3.37Å
190N37.2Very low38.2Very low96 Ų9689.1 Ų89.151%0.51345%0.452SS..Hα-helixtrans-78.6-37.1-178.8-73.8-25.5000113.1L188 K193 Q194L188-N190 PolarHBondContact O-N 3.12Å; N190-K193 PolarHBondContact O-N 2.9Å; N190-Q194 PolarHBondContact O-N 3.48Å
191I37.4Very low38.6Very low97 Ų9789.5 Ų89.550%0.49745%0.453SS..Hα-helixtrans-68.9-43.2179.9-62.4171000110.8L188 K193 Q194 L195L188-I191 PolarHBondContact O-N 3.29Å; I191-K193 VanDerWaalsContact C-N 3.28Å; I191-K193 PolarHBondContact O-N 3Å; I191-Q194 PolarHBondContact O-N 3.21Å; I191-Q194 VanDerWaalsContact O-N 3.07Å; I191-L195 HydrophobicContact CG2-CD1 4.22Å; I191-L195 PolarHBondContact O-N 3.01Å
192N36Very low38.9Very low41 Ų4189 Ų8922%0.21945%0.45CS..Hα-helixtrans-66.6-26.3178.9-87-15.2000113.7I156 L188 N196I156-N192 HydrophobicContact CD1-CB 4.13Å; L188-N192 PolarHBondContact O-N 2.83Å; N192-N196 PolarHBondContact O-N 3.15Å; N192-N196 PolarHBondContact O-ND2 3.32Å
193K39.1Very low39Very low127 Ų12789.1 Ų89.155%0.55245%0.45SS*.Hα-helixtrans-66.4-43.8169.1-75.9176.7179.5176.10111.4L189 N190 I191 I197L189-K193 WeakPolarHBondContact O-CG 3.37Å; N190-K193 PolarHBondContact O-N 2.9Å; I191-K193 VanDerWaalsContact C-N 3.28Å; I191-K193 PolarHBondContact O-N 3Å; K193-I197 WeakPolarHBondContact O-CD1 3.4Å; K193-I197 VanDerWaalsContact O-CG1 3.23Å; K193-I197 WeakPolarHBondContact O-CG1 3.37Å; K193-I197 PolarHBondContact O-N 3.26Å
194Q38.5Very low39Very low140 Ų14085.9 Ų85.965%0.65444%0.443SS*.Hα-helixtrans-67-37.6179.7-69.5-174.8-11.800113.1N190 I191 I197 T198N190-Q194 PolarHBondContact O-N 3.48Å; I191-Q194 PolarHBondContact O-N 3.21Å; I191-Q194 VanDerWaalsContact O-N 3.07Å; Q194-I197 PolarHBondContact O-N 3.49Å; Q194-T198 PolarHBondContact O-N 3.12Å; Q194-T198 PolarHBondContact O-OG1 3.09Å
195L38.1Very low39.3Very low89 Ų8988.2 Ų88.247%0.46645%0.454SS..Hα-helixtrans-68.4-39.4178.9-89.7163.2000113.6I191 T198 K199I191-L195 HydrophobicContact CG2-CD1 4.22Å; I191-L195 PolarHBondContact O-N 3.01Å; L195-T198 WeakPolarHBondContact CA-OG1 3.43Å; L195-T198 PolarHBondContact O-N 3.36Å; L195-T198 PolarHBondContact O-OG1 3.42Å; L195-K199 PolarHBondContact O-N 3.48Å
196N35.9Very low39.4Very low110 Ų11088.4 Ų88.459%0.58846%0.456SS*.Hα-helixtrans-71.1-32.6175.4-76.8-37.1000112.5N192 S200N192-N196 PolarHBondContact O-N 3.15Å; N192-N196 PolarHBondContact O-ND2 3.32Å; N196-S200 WeakPolarHBondContact O-CB 3.45Å; N196-S200 PolarHBondContact O-N 3.39Å; N196-S200 VanDerWaalsContact O-N 3.13Å; N196-S200 PolarHBondContact O-OG 3.41Å
197I40.1Very low39.5Very low87 Ų8788.8 Ų88.845%0.44646%0.456SS..Hα-helixtrans-64.3-44.3170.9-69.2166.4000110.3K193 Q194 S200 Q201K193-I197 WeakPolarHBondContact O-CD1 3.4Å; K193-I197 VanDerWaalsContact O-CG1 3.23Å; K193-I197 WeakPolarHBondContact O-CG1 3.37Å; K193-I197 PolarHBondContact O-N 3.26Å; Q194-I197 PolarHBondContact O-N 3.49Å; I197-S200 PolarHBondContact O-OG 3.17Å; I197-S200 VanDerWaalsContact O-OG 3.06Å; I197-Q201 HydrophobicContact CG2-CG 4.26Å; I197-Q201 VanDerWaalsContact O-CB 3.25Å; I197-Q201 WeakPolarHBondContact O-CB 3.45Å; I197-Q201 WeakPolarHBondContact O-CG 3.43Å; I197-Q201 PolarHBondContact O-N 3.43Å
198T43Very low39.4Very low63 Ų6390.8 Ų90.839%0.38747%0.467SS..Hα-helixtrans-69.6-41.3178.5300000113.5Q194 L195 S200 Q201 I202Q194-T198 PolarHBondContact O-N 3.12Å; Q194-T198 PolarHBondContact O-OG1 3.09Å; L195-T198 WeakPolarHBondContact CA-OG1 3.43Å; L195-T198 PolarHBondContact O-N 3.36Å; L195-T198 PolarHBondContact O-OG1 3.42Å; T198-S200 PolarHBondContact O-N 3.02Å; T198-Q201 PolarHBondContact O-N 2.75Å; T198-I202 WeakPolarHBondContact O-CB 3.46Å; T198-I202 WeakPolarHBondContact O-CD1 3.48Å; T198-I202 WeakPolarHBondContact O-CG1 3.3Å; T198-I202 PolarHBondContact O-N 3.27Å
199K37.5Very low39.8Very low118 Ų11894.6 Ų94.651%0.51348%0.484SS..Hα-helixtrans-59.5-46.1174-81.4-170.9173.8-174.70112L195 I203L195-K199 PolarHBondContact O-N 3.48Å; K199-I203 WeakPolarHBondContact O-CB 3.3Å; K199-I203 WeakPolarHBondContact O-CD1 3.33Å; K199-I203 VanDerWaalsContact O-CG1 3.26Å; K199-I203 WeakPolarHBondContact O-CG1 3.49Å; K199-I203 PolarHBondContact O-N 3.32Å; K199-I203 VanDerWaalsContact O-N 3.12Å
200S41.3Very low39.7Very low58 Ų5898 Ų9841%0.40650%0.502SS..Hα-helixtrans-68.7-38178.2550000113.1N196 I197 T198 N204N196-S200 WeakPolarHBondContact O-CB 3.45Å; N196-S200 PolarHBondContact O-N 3.39Å; N196-S200 VanDerWaalsContact O-N 3.13Å; N196-S200 PolarHBondContact O-OG 3.41Å; I197-S200 PolarHBondContact O-OG 3.17Å; I197-S200 VanDerWaalsContact O-OG 3.06Å; T198-S200 PolarHBondContact O-N 3.02Å; S200-N204 WeakPolarHBondContact O-CB 3.24Å; S200-N204 VanDerWaalsContact O-CG 3.28Å; S200-N204 PolarHBondContact O-N 2.86Å; S200-N204 PolarHBondContact O-ND2 3.49Å
201Q44.1Very low39.3Very low102 Ų10297.2 Ų97.248%0.47750%0.504SS..Hα-helixtrans-66.7-42.2175-76.1174.3-14.400112.7I197 T198 N204 Q205I197-Q201 HydrophobicContact CG2-CG 4.26Å; I197-Q201 VanDerWaalsContact O-CB 3.25Å; I197-Q201 WeakPolarHBondContact O-CB 3.45Å; I197-Q201 WeakPolarHBondContact O-CG 3.43Å; I197-Q201 PolarHBondContact O-N 3.43Å; T198-Q201 PolarHBondContact O-N 2.75Å; Q201-N204 PolarHBondContact O-N 3.31Å; Q201-Q205 VanDerWaalsContact O-CB 3.31Å; Q201-Q205 WeakPolarHBondContact O-CB 3.35Å; Q201-Q205 VanDerWaalsContact O-CG 3.31Å; Q201-Q205 WeakPolarHBondContact O-CG 3.25Å; Q201-Q205 PolarHBondContact O-N 3.22Å
202I43.5Very low39Very low75 Ų7598.8 Ų98.839%0.38552%0.52SS..Hα-helixtrans-67.4-39.3179.3-68.6166.1000110.9T198 S206T198-I202 WeakPolarHBondContact O-CB 3.46Å; T198-I202 WeakPolarHBondContact O-CD1 3.48Å; T198-I202 WeakPolarHBondContact O-CG1 3.3Å; T198-I202 PolarHBondContact O-N 3.27Å; I202-S206 WeakPolarHBondContact O-CB 3.43Å; I202-S206 PolarHBondContact O-N 2.73Å; I202-S206 PolarHBondContact O-OG 2.84Å
203I43.2Very low38.8Very low96 Ų96102 Ų10249%0.49255%0.546SS..Hα-helixtrans-65.5-45.8174.8-68167.5000110.6K199 S206 I207K199-I203 WeakPolarHBondContact O-CB 3.3Å; K199-I203 WeakPolarHBondContact O-CD1 3.33Å; K199-I203 VanDerWaalsContact O-CG1 3.26Å; K199-I203 WeakPolarHBondContact O-CG1 3.49Å; K199-I203 PolarHBondContact O-N 3.32Å; K199-I203 VanDerWaalsContact O-N 3.12Å; I203-S206 PolarHBondContact O-N 2.97Å; I203-S206 PolarHBondContact O-OG 3.33Å; I203-S206 VanDerWaalsContact O-OG 3.11Å; I203-I207 HydrophobicContact CG2-CD1 3.87Å; I203-I207 WeakPolarHBondContact O-CG1 3.43Å; I203-I207 PolarHBondContact O-N 3.34Å; I203-I207 VanDerWaalsContact O-N 3.1Å
204N39.3Very low38.2Very low95 Ų95101.8 Ų101.851%0.50856%0.56SS.*Hα-helixtrans-68.8-35.4178.9-71.9-16.8000113.4S200 Q201 N208S200-N204 WeakPolarHBondContact O-CB 3.24Å; S200-N204 VanDerWaalsContact O-CG 3.28Å; S200-N204 PolarHBondContact O-N 2.86Å; S200-N204 PolarHBondContact O-ND2 3.49Å; Q201-N204 PolarHBondContact O-N 3.31Å; N204-N208 WeakPolarHBondContact O-CB 3.31Å; N204-N208 VanDerWaalsContact O-CG 3.3Å; N204-N208 PolarHBondContact O-N 2.96Å; N204-N208 VanDerWaalsContact O-N 3.1Å; N204-N208 PolarHBondContact O-ND2 2.66Å
205Q42.3Very low37.9Very low120 Ų120100.4 Ų100.456%0.56157%0.566SS**Hα-helixtrans-68.8-42.2174.3-76.9176.9-15.900111.8Q201 I207 N208 E209Q201-Q205 VanDerWaalsContact O-CB 3.31Å; Q201-Q205 WeakPolarHBondContact O-CB 3.35Å; Q201-Q205 VanDerWaalsContact O-CG 3.31Å; Q201-Q205 WeakPolarHBondContact O-CG 3.25Å; Q201-Q205 PolarHBondContact O-N 3.22Å; Q205-I207 VanDerWaalsContact C-N 3.31Å; Q205-I207 PolarHBondContact O-N 3.05Å; Q205-N208 PolarHBondContact O-N 3.45Å; Q205-E209 WeakPolarHBondContact O-CB 3.42Å; Q205-E209 WeakPolarHBondContact O-CG 3.41Å; Q205-E209 PolarHBondContact O-N 2.96Å
206S39.6Very low37.4Very low52 Ų52101.4 Ų101.436%0.36458%0.581SS.*Hα-helixtrans-69.5-25.4178.952.70000113.9I202 I203 L210I202-S206 WeakPolarHBondContact O-CB 3.43Å; I202-S206 PolarHBondContact O-N 2.73Å; I202-S206 PolarHBondContact O-OG 2.84Å; I203-S206 PolarHBondContact O-N 2.97Å; I203-S206 PolarHBondContact O-OG 3.33Å; I203-S206 VanDerWaalsContact O-OG 3.11Å; S206-L210 WeakPolarHBondContact O-CD1 3.07Å
207I40Very low37.2Very low108 Ų108105.4 Ų105.455%0.55459%0.593SS**Hα-helixtrans-77.5-40.4171.5-67.4168.2000111.3I203 Q205I203-I207 HydrophobicContact CG2-CD1 3.87Å; I203-I207 WeakPolarHBondContact O-CG1 3.43Å; I203-I207 PolarHBondContact O-N 3.34Å; I203-I207 VanDerWaalsContact O-N 3.1Å; Q205-I207 VanDerWaalsContact C-N 3.31Å; Q205-I207 PolarHBondContact O-N 3.05Å
208N40.6Very low36.6Very low119 Ų119110.2 Ų110.264%0.63661%0.611SS**Hα-helixtrans-77.8-23.1-178.3-70.9-17.2000114.4N204 Q205 L210 S211N204-N208 WeakPolarHBondContact O-CB 3.31Å; N204-N208 VanDerWaalsContact O-CG 3.3Å; N204-N208 PolarHBondContact O-N 2.96Å; N204-N208 VanDerWaalsContact O-N 3.1Å; N204-N208 PolarHBondContact O-ND2 2.66Å; Q205-N208 PolarHBondContact O-N 3.45Å; N208-L210 VanDerWaalsContact C-N 3.26Å; N208-L210 PolarHBondContact O-N 3.34Å; N208-S211 PolarHBondContact O-OG 3.18Å
209E41.9Very low36.1Very low118 Ų118116.7 Ų116.755%0.55163%0.634SS**THydrogen-bonded Turntrans-76.4-6.5175.1-76.4-174.7164.600114Q205 K248Q205-E209 WeakPolarHBondContact O-CB 3.42Å; Q205-E209 WeakPolarHBondContact O-CG 3.41Å; Q205-E209 PolarHBondContact O-N 2.96Å; E209-K248 IonicContact OE2-NZ 2.79Å; E209-K248 PolarHBondContact OE2-NZ 2.99Å
210L35Very low35.6Very low148 Ų148119 Ų11978%0.77565%0.646SS**THydrogen-bonded Turntrans-99.61.5-176.1-81.3168.5000115S206 N208S206-L210 WeakPolarHBondContact O-CD1 3.07Å; N208-L210 VanDerWaalsContact C-N 3.26Å; N208-L210 PolarHBondContact O-N 3.34Å
211S30.1Very low35Very low79 Ų79123.2 Ų123.255%0.55267%0.665SS**  trans-100.5112.917455.40000112N208 S213N208-S211 PolarHBondContact O-OG 3.18Å; S211-S213 PolarHBondContact O-N 2.92Å
212P29.6Very low34.4Very low130 Ų130124.2 Ų124.284%0.84467%0.673SS**  trans-79.780.1177.532.6-34.4000111.1S214P212-S214 PolarHBondContact O-N 3.16Å
213S32.7Very low34.1Very low108 Ų108130.5 Ų130.576%0.75570%0.698SS**  trans-73.6107.1172.760.40000110.7S211S211-S213 PolarHBondContact O-N 2.92Å
214S26.2Very low33.8Very low122 Ų122135.3 Ų135.385%0.85372%0.715SS**  trans-61.9129.817744.30000113.1P212P212-S214 PolarHBondContact O-N 3.16Å
215S32Very low33.5Very low111 Ų111139.2 Ų139.278%0.77672%0.724SS**  trans-145.5127.2155.563.50000110.8
216S27.7Very low33.2Very low110 Ų110136.2 Ų136.277%0.76972%0.716SS**  trans-82.6132.3-174.453.70000112.1
217F31.2Very low33.2Very low194 Ų194137.8 Ų137.885%0.85172%0.724SS**  trans-123.3115.7156.1-95.5-87000110.1
218K27.7Very low33.3Very low189 Ų189137.9 Ų137.982%0.82273%0.725SS**  trans-79.6133.9170-69.1179.3177-179.70108.9
219F31.8Very low33.3Very low199 Ų199136.5 Ų136.587%0.87372%0.717SS**  trans-134.9111.8156.5-104.2-83.1000108.7
220E27.5Very low33.3Very low165 Ų165136.1 Ų136.177%0.77172%0.715SS**  trans-83.5170.9171.1-70.3-179.3131.300110.7
221N28.9Very low34.2Very low147 Ų147135.7 Ų135.779%0.78671%0.707SS**  trans71.477.6171.9-54.8-27000117.3
222N32Very low34.9Very low123 Ų123136.8 Ų136.866%0.65871%0.706SS**  17491.2118-88.8-37.1000112.6K224 Y225 S226N222-K224 PolarHBondContact O-N 3.32Å; N222-Y225 PolarHBondContact O-N 3.21Å; N222-S226 PolarHBondContact O-N 2.97Å
223K36.2Very low35.7Very low208 Ų208134.9 Ų134.990%0.90469%0.688SS**THydrogen-bonded Turntrans-64.3-5.1-170.8-77.8-178.9175.5174.80116.9
224K37.6Very low36.6Very low196 Ų196137 Ų13785%0.85268%0.684SS**THydrogen-bonded Turntrans-104.7-21173.3-90.2-176.6174178.70115.2N222N222-K224 PolarHBondContact O-N 3.32Å
225Y32.6Very low37.9Very low177 Ų177137.2 Ų137.269%0.69467%0.671SS**THydrogen-bonded Turntrans-89.5-27.2174-80.7-90000112.5N222 T227 N228 I229N222-Y225 PolarHBondContact O-N 3.21Å; Y225-T227 VanDerWaalsContact C-N 3.28Å; Y225-T227 PolarHBondContact O-N 3.29Å; Y225-N228 PolarHBondContact O-N 2.91Å; Y225-I229 PolarHBondContact O-N 3.05Å
226S35.9Very low38.4Very low57 Ų57137.7 Ų137.740%0.39966%0.661SS.*Hα-helixtrans-50.8-41177.2173.90000113.8N222 I229 H230N222-S226 PolarHBondContact O-N 2.97Å; S226-I229 PolarHBondContact O-N 3.45Å; S226-H230 WeakPolarHBondContact O-CB 3.36Å; S226-H230 PolarHBondContact O-N 2.81Å
227T40.1Very low39.5Very low85 Ų85135.7 Ų135.752%0.52164%0.644SS.*Hα-helixtrans-70.4-36.4-172-12.20000113.9Y225 K231Y225-T227 VanDerWaalsContact C-N 3.28Å; Y225-T227 PolarHBondContact O-N 3.29Å; T227-K231 WeakPolarHBondContact O-CG 3.3Å; T227-K231 PolarHBondContact O-N 2.91Å
228N41.3Very low40.9Very low110 Ų110132.9 Ų132.959%0.58863%0.632SS**Hα-helixtrans-76.8-39.3175.9-81.6-8.3000111.3Y225 K231 L232Y225-N228 PolarHBondContact O-N 2.91Å; N228-K231 PolarHBondContact O-N 3.43Å; N228-L232 PolarHBondContact O-N 3.32Å
229I41Very low42.1Very low91 Ų91128.4 Ų128.447%0.46762%0.616SS.*Hα-helixtrans-63-42.7174.7-65.5172.7000110.4Y225 S226 K231 L232 I233Y225-I229 PolarHBondContact O-N 3.05Å; S226-I229 PolarHBondContact O-N 3.45Å; I229-K231 PolarHBondContact O-N 2.91Å; I229-L232 PolarHBondContact O-N 2.62Å; I229-I233 HydrophobicContact CG2-CD1 3.63Å; I229-I233 HydrophobicContact CG2-CG1 4.24Å; I229-I233 WeakPolarHBondContact O-CB 3.5Å; I229-I233 VanDerWaalsContact O-CG1 3.29Å; I229-I233 WeakPolarHBondContact O-CG1 3.28Å; I229-I233 PolarHBondContact O-N 2.86Å
230H42.7Very low42.8Very low110 Ų110122.4 Ų122.451%0.50959%0.593SS.*Hα-helixtrans-64.6-33.9174.6-95.6-45000113.8S226 K234S226-H230 WeakPolarHBondContact O-CB 3.36Å; S226-H230 PolarHBondContact O-N 2.81Å; H230-K234 WeakPolarHBondContact O-CB 3.43Å; H230-K234 WeakPolarHBondContact O-CG 3.34Å; H230-K234 PolarHBondContact O-N 3.21Å
231K53.4Low44.2Very low139 Ų139118.7 Ų118.760%0.60458%0.579SS**Hα-helixtrans-66.6-45.9173.2-80.6-178176.9-178.70111.5T227 N228 I229 K234 Q235T227-K231 WeakPolarHBondContact O-CG 3.3Å; T227-K231 PolarHBondContact O-N 2.91Å; N228-K231 PolarHBondContact O-N 3.43Å; I229-K231 PolarHBondContact O-N 2.91Å; K231-K234 PolarHBondContact O-N 3.38Å; K231-Q235 WeakPolarHBondContact O-CG 3.37Å; K231-Q235 PolarHBondContact O-N 2.71Å
232L46Very low45.8Very low102 Ų102115.5 Ų115.553%0.53456%0.559SS.*Hα-helixtrans-62.3-47.2176.3-77.1164.4000111.6N228 I229 K234 Q235 Q236N228-L232 PolarHBondContact O-N 3.32Å; I229-L232 PolarHBondContact O-N 2.62Å; L232-K234 VanDerWaalsContact C-N 3.34Å; L232-K234 PolarHBondContact O-N 3.19Å; L232-Q235 PolarHBondContact O-N 2.86Å; L232-Q235 VanDerWaalsContact O-N 3.14Å; L232-Q236 WeakPolarHBondContact O-CB 3.45Å; L232-Q236 PolarHBondContact O-N 3.37Å
233I46.5Very low47.1Very low89 Ų89114.6 Ų114.646%0.45655%0.551SS.*Hα-helixtrans-59.6-43175.9-69171.1000111.1I229 Q235 Q236 T237I229-I233 HydrophobicContact CG2-CD1 3.63Å; I229-I233 HydrophobicContact CG2-CG1 4.24Å; I229-I233 WeakPolarHBondContact O-CB 3.5Å; I229-I233 VanDerWaalsContact O-CG1 3.29Å; I229-I233 WeakPolarHBondContact O-CG1 3.28Å; I229-I233 PolarHBondContact O-N 2.86Å; I233-Q235 PolarHBondContact O-N 3.19Å; I233-Q236 PolarHBondContact O-N 3.21Å; I233-T237 PolarHBondContact O-N 3.1Å; I233-T237 PolarHBondContact O-OG1 3.3Å
234K51.5Low48.1Very low154 Ų154109 Ų10967%0.6753%0.528SS*.Hα-helixtrans-64.3-36.5175.6-79.7-175.9176.4-173.90113H230 K231 L232 T237 K238H230-K234 WeakPolarHBondContact O-CB 3.43Å; H230-K234 WeakPolarHBondContact O-CG 3.34Å; H230-K234 PolarHBondContact O-N 3.21Å; K231-K234 PolarHBondContact O-N 3.38Å; L232-K234 VanDerWaalsContact C-N 3.34Å; L232-K234 PolarHBondContact O-N 3.19Å; K234-T237 PolarHBondContact O-OG1 3.47Å; K234-K238 WeakPolarHBondContact O-CB 3.11Å; K234-K238 PolarHBondContact O-N 2.92Å; K234-K238 VanDerWaalsContact O-N 3.11Å
235Q52.5Low49.2Very low125 Ų125105.3 Ų105.358%0.58451%0.514SS*.Hα-helixtrans-68-44.3173.3-76.4177.3-23.600111.4K231 L232 I233 K238 L239K231-Q235 WeakPolarHBondContact O-CG 3.37Å; K231-Q235 PolarHBondContact O-N 2.71Å; L232-Q235 PolarHBondContact O-N 2.86Å; L232-Q235 VanDerWaalsContact O-N 3.14Å; I233-Q235 PolarHBondContact O-N 3.19Å; Q235-K238 PolarHBondContact O-N 3.36Å; Q235-L239 WeakPolarHBondContact O-CB 3.27Å; Q235-L239 PolarHBondContact O-N 3.29Å
236Q43.3Very low50.8Low121 Ų121103.4 Ų103.457%0.56551%0.509SS*.Hα-helixtrans-61.5-45.9178.2-153.886.817.200111.7L232 I233 K238 L239 N240L232-Q236 WeakPolarHBondContact O-CB 3.45Å; L232-Q236 PolarHBondContact O-N 3.37Å; I233-Q236 PolarHBondContact O-N 3.21Å; Q236-K238 PolarHBondContact O-N 2.94Å; Q236-L239 PolarHBondContact O-N 2.71Å; Q236-N240 WeakPolarHBondContact O-CB 3.47Å; Q236-N240 VanDerWaalsContact O-CG 3.28Å; Q236-N240 PolarHBondContact O-N 2.82Å; Q236-N240 PolarHBondContact O-OD1 2.77Å
237T50.4Low52.2Low69 Ų69105.4 Ų105.442%0.42352%0.515SS..Hα-helixtrans-66.8-35.6176.549.40000112.3I233 K234 N241I233-T237 PolarHBondContact O-N 3.1Å; I233-T237 PolarHBondContact O-OG1 3.3Å; K234-T237 PolarHBondContact O-OG1 3.47Å; T237-N241 VanDerWaalsContact O-CB 3.29Å; T237-N241 WeakPolarHBondContact O-CB 3.01Å; T237-N241 PolarHBondContact O-N 3.27Å; T237-N241 PolarHBondContact O-ND2 3.37Å; T237-N241 PolarHBondContact O-OD1 2.95Å
238K61.1Low53.3Low135 Ų135105.9 Ų105.959%0.58751%0.51SS*.Hα-helixtrans-64.8-45.1173.3-166.8-179.2-178.7-164.40111.7K234 Q235 Q236 N241 E242K234-K238 WeakPolarHBondContact O-CB 3.11Å; K234-K238 PolarHBondContact O-N 2.92Å; K234-K238 VanDerWaalsContact O-N 3.11Å; Q235-K238 PolarHBondContact O-N 3.36Å; Q236-K238 PolarHBondContact O-N 2.94Å; K238-N241 PolarHBondContact O-N 2.99Å; K238-E242 WeakPolarHBondContact CE-OE1 3.31Å; K238-E242 IonicContact NZ-OE1 2.77Å; K238-E242 WeakPolarHBondContact O-CB 3.34Å; K238-E242 WeakPolarHBondContact O-CG 3.24Å; K238-E242 PolarHBondContact O-N 2.94Å
239L53Low54.5Low94 Ų94107 Ų10749%0.49251%0.51SS..Hα-helixtrans-60.5-45.4175.3-107.7154.7000112.2Q235 Q236 E242 Q243Q235-L239 WeakPolarHBondContact O-CB 3.27Å; Q235-L239 PolarHBondContact O-N 3.29Å; Q236-L239 PolarHBondContact O-N 2.71Å; L239-E242 PolarHBondContact O-N 2.99Å; L239-Q243 WeakPolarHBondContact O-CB 3.33Å; L239-Q243 WeakPolarHBondContact O-CG 3.41Å; L239-Q243 PolarHBondContact O-N 2.84Å
240N45.4Very low55.8Low74 Ų74108.8 Ų108.840%0.39651%0.514SS..Hα-helixtrans-63.7-43176.5-72.11000111.4Q236 Q243 Q244Q236-N240 WeakPolarHBondContact O-CB 3.47Å; Q236-N240 VanDerWaalsContact O-CG 3.28Å; Q236-N240 PolarHBondContact O-N 2.82Å; Q236-N240 PolarHBondContact O-OD1 2.77Å; N240-Q243 PolarHBondContact O-N 2.71Å; N240-Q244 WeakPolarHBondContact O-CB 3.13Å; N240-Q244 WeakPolarHBondContact O-CG 3.23Å; N240-Q244 PolarHBondContact O-N 3.28Å
241N57.6Low57Low87 Ų87107.6 Ų107.647%0.46551%0.509SS..Hα-helixtrans-65-40.1176.5-71.3-5.5000111.7T237 K238 Q244 Q245T237-N241 VanDerWaalsContact O-CB 3.29Å; T237-N241 WeakPolarHBondContact O-CB 3.01Å; T237-N241 PolarHBondContact O-N 3.27Å; T237-N241 PolarHBondContact O-ND2 3.37Å; T237-N241 PolarHBondContact O-OD1 2.95Å; K238-N241 PolarHBondContact O-N 2.99Å; N241-Q244 PolarHBondContact O-N 2.73Å; N241-Q245 WeakPolarHBondContact O-CB 3.4Å; N241-Q245 VanDerWaalsContact O-CG 3.29Å; N241-Q245 WeakPolarHBondContact O-CG 3.17Å; N241-Q245 PolarHBondContact O-N 2.88Å
242E62.9Low57.7Low79 Ų79106 Ų10637%0.36951%0.506SS..Hα-helixtrans-66.2-38.4174.6-75.5177.3-16100112.1K238 L239 K246K238-E242 WeakPolarHBondContact CE-OE1 3.31Å; K238-E242 IonicContact NZ-OE1 2.77Å; K238-E242 WeakPolarHBondContact O-CB 3.34Å; K238-E242 WeakPolarHBondContact O-CG 3.24Å; K238-E242 PolarHBondContact O-N 2.94Å; L239-E242 PolarHBondContact O-N 2.99Å; E242-K246 WeakPolarHBondContact O-CB 3.5Å; E242-K246 VanDerWaalsContact O-CG 3.25Å; E242-K246 WeakPolarHBondContact O-CG 3.44Å; E242-K246 PolarHBondContact O-N 3.46Å
243Q58.3Low58.9Low105 Ų105105.6 Ų105.649%0.49150%0.504SS..Hα-helixtrans-67.4-44.9173.2-76.2-177.8-6.700112L239 N240 Q245 K246 N247L239-Q243 WeakPolarHBondContact O-CB 3.33Å; L239-Q243 WeakPolarHBondContact O-CG 3.41Å; L239-Q243 PolarHBondContact O-N 2.84Å; N240-Q243 PolarHBondContact O-N 2.71Å; Q243-Q245 VanDerWaalsContact C-N 3.34Å; Q243-Q245 PolarHBondContact O-N 3.38Å; Q243-K246 PolarHBondContact O-N 2.97Å; Q243-N247 WeakPolarHBondContact O-CB 3.44Å; Q243-N247 VanDerWaalsContact O-CG 3.3Å; Q243-N247 PolarHBondContact O-N 2.78Å
244Q57.6Low60Low91 Ų91105.1 Ų105.143%0.42550%0.5SS..Hα-helixtrans-61.1-41.6174.2-76.1-176.4-7.900111.7N240 N241 N247 K248N240-Q244 WeakPolarHBondContact O-CB 3.13Å; N240-Q244 WeakPolarHBondContact O-CG 3.23Å; N240-Q244 PolarHBondContact O-N 3.28Å; N241-Q244 PolarHBondContact O-N 2.73Å; Q244-N247 PolarHBondContact O-N 3.47Å; Q244-K248 WeakPolarHBondContact O-CB 3.24Å; Q244-K248 WeakPolarHBondContact O-CG 3.45Å; Q244-K248 PolarHBondContact O-N 3.4Å
245Q60.1Low61Low118 Ų118101.7 Ų101.755%0.55149%0.488SS*.Hα-helixtrans-65.6-38.3174.1-76.1-1771300112.5N241 Q243 K249N241-Q245 WeakPolarHBondContact O-CB 3.4Å; N241-Q245 VanDerWaalsContact O-CG 3.29Å; N241-Q245 WeakPolarHBondContact O-CG 3.17Å; N241-Q245 PolarHBondContact O-N 2.88Å; Q243-Q245 VanDerWaalsContact C-N 3.34Å; Q243-Q245 PolarHBondContact O-N 3.38Å; Q245-K249 VanDerWaalsContact O-CB 3.32Å; Q245-K249 WeakPolarHBondContact O-CB 3.38Å; Q245-K249 VanDerWaalsContact O-CG 3.24Å; Q245-K249 WeakPolarHBondContact O-CG 3.35Å; Q245-K249 PolarHBondContact O-N 2.78Å
246K66.5Low61.9Low137 Ų13798 Ų9860%0.59647%0.472SS*.Hα-helixtrans-63.2-43.3172.8-77.6168.9-179.1173.30111.5E242 Q243 K249 K250E242-K246 WeakPolarHBondContact O-CB 3.5Å; E242-K246 VanDerWaalsContact O-CG 3.25Å; E242-K246 WeakPolarHBondContact O-CG 3.44Å; E242-K246 PolarHBondContact O-N 3.46Å; Q243-K246 PolarHBondContact O-N 2.97Å; K246-K249 PolarHBondContact O-N 2.93Å; K246-K250 WeakPolarHBondContact O-CB 3.45Å; K246-K250 PolarHBondContact O-N 3.21Å
247N64.6Low63.4Low98 Ų9894.6 Ų94.652%0.52446%0.458SS..Hα-helixtrans-66.4-45.9177.6-70.1-8.8000111.8Q243 Q244 K249 K250 Q251Q243-N247 WeakPolarHBondContact O-CB 3.44Å; Q243-N247 VanDerWaalsContact O-CG 3.3Å; Q243-N247 PolarHBondContact O-N 2.78Å; Q244-N247 PolarHBondContact O-N 3.47Å; N247-K249 PolarHBondContact O-N 2.93Å; N247-K250 PolarHBondContact O-N 2.88Å; N247-K250 VanDerWaalsContact O-N 3.16Å; N247-Q251 WeakPolarHBondContact O-CG 3.4Å; N247-Q251 PolarHBondContact O-N 2.99Å
248K64.2Low64.5Low95 Ų9595.1 Ų95.141%0.41346%0.458SS..Hα-helixtrans-59.8-42.9174.2-73178179.1178.50111E209 Q244 K250 Q251 I252E209-K248 IonicContact OE2-NZ 2.79Å; E209-K248 PolarHBondContact OE2-NZ 2.99Å; Q244-K248 WeakPolarHBondContact O-CB 3.24Å; Q244-K248 WeakPolarHBondContact O-CG 3.45Å; Q244-K248 PolarHBondContact O-N 3.4Å; K248-K250 PolarHBondContact O-N 2.83Å; K248-Q251 PolarHBondContact O-N 3.44Å; K248-I252 WeakPolarHBondContact O-CB 3.48Å; K248-I252 WeakPolarHBondContact O-CD1 3.5Å; K248-I252 VanDerWaalsContact O-CG1 3.23Å; K248-I252 WeakPolarHBondContact O-CG1 3.46Å; K248-I252 PolarHBondContact O-N 3.24Å
249K65.8Low65.2Low134 Ų13493 Ų9358%0.58345%0.45SS*.Hα-helixtrans-62.4-40173-76.1173.5179.8179.50113.1Q245 K246 N247 N253Q245-K249 VanDerWaalsContact O-CB 3.32Å; Q245-K249 WeakPolarHBondContact O-CB 3.38Å; Q245-K249 VanDerWaalsContact O-CG 3.24Å; Q245-K249 WeakPolarHBondContact O-CG 3.35Å; Q245-K249 PolarHBondContact O-N 2.78Å; K246-K249 PolarHBondContact O-N 2.93Å; N247-K249 PolarHBondContact O-N 2.93Å; K249-N253 WeakPolarHBondContact O-CB 3.45Å; K249-N253 VanDerWaalsContact O-CG 3.26Å; K249-N253 PolarHBondContact O-N 2.92Å; K249-N253 PolarHBondContact O-OD1 3.48Å
250K68.3Low66.5Low128 Ų12888.7 Ų88.756%0.55743%0.428SS*.Hα-helixtrans-64.2-47176.7-171.2175.9-173.4-84.60111.4K246 N247 K248 I252 N253 E254K246-K250 WeakPolarHBondContact O-CB 3.45Å; K246-K250 PolarHBondContact O-N 3.21Å; N247-K250 PolarHBondContact O-N 2.88Å; N247-K250 VanDerWaalsContact O-N 3.16Å; K248-K250 PolarHBondContact O-N 2.83Å; K250-I252 PolarHBondContact O-N 3.03Å; K250-N253 PolarHBondContact O-N 3.44Å; K250-E254 WeakPolarHBondContact CE-OE1 3.38Å; K250-E254 WeakPolarHBondContact CG-OE1 3.35Å; K250-E254 IonicContact NZ-OE1 2.75Å; K250-E254 PolarHBondContact NZ-OE1 3.31Å; K250-E254 WeakPolarHBondContact O-CG 3.19Å; K250-E254 PolarHBondContact O-N 3.37Å
251Q67.6Low68.2Low85 Ų8587.3 Ų87.340%0.39742%0.419SS..Hα-helixtrans-61.3-42.4176.5-72.2173.8-17.400112.4N247 K248 E254 L255N247-Q251 WeakPolarHBondContact O-CG 3.4Å; N247-Q251 PolarHBondContact O-N 2.99Å; K248-Q251 PolarHBondContact O-N 3.44Å; Q251-E254 PolarHBondContact O-N 2.83Å; Q251-L255 WeakPolarHBondContact O-CG 3.41Å; Q251-L255 PolarHBondContact O-N 2.97Å
252I69.6Low69.5Low105 Ų10586.9 Ų86.954%0.53842%0.417SS..Hα-helixtrans-63.2-42.3175.7-69163.9000110.9K248 K250 L255 L256K248-I252 WeakPolarHBondContact O-CB 3.48Å; K248-I252 WeakPolarHBondContact O-CD1 3.5Å; K248-I252 VanDerWaalsContact O-CG1 3.23Å; K248-I252 WeakPolarHBondContact O-CG1 3.46Å; K248-I252 PolarHBondContact O-N 3.24Å; K250-I252 PolarHBondContact O-N 3.03Å; I252-L255 PolarHBondContact O-N 2.93Å; I252-L256 WeakPolarHBondContact O-CB 3.34Å; I252-L256 PolarHBondContact O-N 3.05Å
253N69.5Low70.6Confident94 Ų9483.1 Ų83.150%0.50340%0.399SS..Hα-helixtrans-65.3-39.7176.1-72.8-4000112.3K249 K250 L256 I257K249-N253 WeakPolarHBondContact O-CB 3.45Å; K249-N253 VanDerWaalsContact O-CG 3.26Å; K249-N253 PolarHBondContact O-N 2.92Å; K249-N253 PolarHBondContact O-OD1 3.48Å; K250-N253 PolarHBondContact O-N 3.44Å; N253-L256 PolarHBondContact O-N 3.05Å; N253-I257 WeakPolarHBondContact O-CB 3.42Å; N253-I257 WeakPolarHBondContact O-CD1 3.14Å; N253-I257 VanDerWaalsContact O-CG1 3.24Å; N253-I257 WeakPolarHBondContact O-CG1 3.26Å; N253-I257 PolarHBondContact O-N 3.44Å
254E71Confident72Confident79 Ų7978.5 Ų78.537%0.36938%0.378SS..Hα-helixtrans-63.8-41.9175.5-74.7166.7-176.800111.6K250 Q251 I257 N258K250-E254 WeakPolarHBondContact CE-OE1 3.38Å; K250-E254 WeakPolarHBondContact CG-OE1 3.35Å; K250-E254 IonicContact NZ-OE1 2.75Å; K250-E254 PolarHBondContact NZ-OE1 3.31Å; K250-E254 WeakPolarHBondContact O-CG 3.19Å; K250-E254 PolarHBondContact O-N 3.37Å; Q251-E254 PolarHBondContact O-N 2.83Å; E254-I257 PolarHBondContact O-N 3Å; E254-N258 WeakPolarHBondContact O-CB 3.46Å; E254-N258 PolarHBondContact O-N 3.29Å; E254-N258 PolarHBondContact O-ND2 2.98Å; E254-N258 VanDerWaalsContact O-ND2 3.15Å
255L71.8Confident73.4Confident82 Ų8276.1 Ų76.143%0.42937%0.368SS..Hα-helixtrans-62.1-46.2173.3-73.2167.7000112Q251 I252 I257 N258 E259Q251-L255 WeakPolarHBondContact O-CG 3.41Å; Q251-L255 PolarHBondContact O-N 2.97Å; I252-L255 PolarHBondContact O-N 2.93Å; L255-I257 PolarHBondContact O-N 3.13Å; L255-N258 PolarHBondContact O-N 3.06Å; L255-E259 PolarHBondContact O-N 3.49Å
256L71.7Confident74.7Confident47 Ų4772 Ų7225%0.24635%0.35CS..Hα-helixtrans-60.7-43.9178.3-166.293.7000111.9I66 I252 N253 N258 E259 Q260I66-L256 HydrophobicContact CG1-CD1 4.37Å; I252-L256 WeakPolarHBondContact O-CB 3.34Å; I252-L256 PolarHBondContact O-N 3.05Å; N253-L256 PolarHBondContact O-N 3.05Å; L256-N258 VanDerWaalsContact C-N 3.34Å; L256-E259 PolarHBondContact O-N 3.17Å; L256-Q260 VanDerWaalsContact CD2-NE2 3.34Å; L256-Q260 VanDerWaalsContact O-CG 3.22Å; L256-Q260 WeakPolarHBondContact O-CG 3.37Å; L256-Q260 PolarHBondContact O-N 3.33Å
257I74Confident75.9Confident51 Ų5165.5 Ų65.526%0.26232%0.321SS..Hα-helixtrans-64.6-39.8176.5-69.1164.3000110.7N253 E254 L255 Q260 M261N253-I257 WeakPolarHBondContact O-CB 3.42Å; N253-I257 WeakPolarHBondContact O-CD1 3.14Å; N253-I257 VanDerWaalsContact O-CG1 3.24Å; N253-I257 WeakPolarHBondContact O-CG1 3.26Å; N253-I257 PolarHBondContact O-N 3.44Å; E254-I257 PolarHBondContact O-N 3Å; L255-I257 PolarHBondContact O-N 3.13Å; I257-Q260 WeakPolarHBondContact O-CB 3.49Å; I257-Q260 PolarHBondContact O-N 3.02Å; I257-M261 HydrophobicContact CG2-CG 4.34Å; I257-M261 WeakPolarHBondContact O-CG 3.37Å; I257-M261 PolarHBondContact O-N 3.49Å
258N74.9Confident77.1Confident79 Ų7962.5 Ų62.542%0.42230%0.304SS..Hα-helixtrans-64.8-40.8176.9-71.7-25.5000111.9E254 L255 L256 Q260 M261 N262E254-N258 WeakPolarHBondContact O-CB 3.46Å; E254-N258 PolarHBondContact O-N 3.29Å; E254-N258 PolarHBondContact O-ND2 2.98Å; E254-N258 VanDerWaalsContact O-ND2 3.15Å; L255-N258 PolarHBondContact O-N 3.06Å; L256-N258 VanDerWaalsContact C-N 3.34Å; N258-Q260 VanDerWaalsContact C-N 3.32Å; N258-Q260 PolarHBondContact O-N 2.92Å; N258-M261 PolarHBondContact O-N 3.32Å; N258-N262 VanDerWaalsContact O-CB 3.31Å; N258-N262 WeakPolarHBondContact O-CB 3.01Å; N258-N262 PolarHBondContact O-N 2.94Å; N258-N262 PolarHBondContact O-ND2 3.27Å; N258-N262 PolarHBondContact O-OD1 3.48Å
259E75.6Confident78.2Confident91 Ų9161.8 Ų61.843%0.42531%0.307SS..Hα-helixtrans-63.8-36.4174.5-74.4172.2-175.300112.5N72 L255 L256 L263N72-E259 PolarHBondContact ND2-O 3.11Å; L255-E259 PolarHBondContact O-N 3.49Å; L256-E259 PolarHBondContact O-N 3.17Å; E259-L263 PolarHBondContact O-N 2.96Å; E259-L263 VanDerWaalsContact O-N 3.16Å
260Q80.2Confident79.5Confident4 Ų455.4 Ų55.42%0.01928%0.28CS..Hα-helixtrans-66-47.9174.1-70.1164.211.900113.1S65 I67 F136 L256 I257 N258 N262 L263 I264S65-Q260 VanDerWaalsContact CB-NE2 3.33Å; S65-Q260 PolarHBondContact O-NE2 2.67Å; S65-Q260 PolarHBondContact OG-NE2 2.89Å; I67-Q260 VanDerWaalsContact CD1-CA 3.48Å; I67-Q260 HydrophobicContact CD1-CB 4.12Å; I67-Q260 HydrophobicContact CD1-CG 3.73Å; I67-Q260 HydrophobicContact CG1-CG 4.36Å; F136-Q260 HydrophobicContact CD1-CB 4.15Å; F136-Q260 HydrophobicContact CD1-CG 3.89Å; F136-Q260 HydrophobicContact CD2-CB 3.68Å; F136-Q260 HydrophobicContact CD2-CG 4.16Å; F136-Q260 HydrophobicContact CE1-CB 4.26Å; F136-Q260 HydrophobicContact CE1-CG 3.66Å; F136-Q260 HydrophobicContact CE2-CB 3.78Å; F136-Q260 HydrophobicContact CE2-CG 3.92Å; F136-Q260 HydrophobicContact CG-CB 3.9Å; F136-Q260 HydrophobicContact CG-CG 4.17Å; F136-Q260 HydrophobicContact CZ-CB 4.1Å; F136-Q260 HydrophobicContact CZ-CG 3.69Å; L256-Q260 VanDerWaalsContact CD2-NE2 3.34Å; L256-Q260 VanDerWaalsContact O-CG 3.22Å; L256-Q260 WeakPolarHBondContact O-CG 3.37Å; L256-Q260 PolarHBondContact O-N 3.33Å; I257-Q260 WeakPolarHBondContact O-CB 3.49Å; I257-Q260 PolarHBondContact O-N 3.02Å; N258-Q260 VanDerWaalsContact C-N 3.32Å; N258-Q260 PolarHBondContact O-N 2.92Å; Q260-N262 VanDerWaalsContact C-N 3.32Å; Q260-N262 PolarHBondContact O-N 2.9Å; Q260-L263 PolarHBondContact O-N 3.15Å; Q260-I264 PolarHBondContact O-N 2.95Å
261M81.3Confident80.6Confident45 Ų4549.3 Ų49.322%0.22225%0.253CS..Hα-helixtrans-65.4-37.4177.3-69.2-58.4-52.900111.1I257 N258 L263 I264 N265I257-M261 HydrophobicContact CG2-CG 4.34Å; I257-M261 WeakPolarHBondContact O-CG 3.37Å; I257-M261 PolarHBondContact O-N 3.49Å; N258-M261 PolarHBondContact O-N 3.32Å; M261-L263 PolarHBondContact O-N 3.25Å; M261-I264 PolarHBondContact O-N 3.07Å; M261-N265 WeakPolarHBondContact O-CB 3.23Å; M261-N265 PolarHBondContact O-N 2.7Å; M261-N265 PolarHBondContact O-ND2 3.46Å; M261-N265 VanDerWaalsContact O-ND2 3.1Å; M261-N265 PolarHBondContact O-OD1 3.36Å
262N84Confident81.7Confident78 Ų7846.3 Ų46.342%0.41724%0.239SC..Hα-helixtrans-60.7-42.7174.9-74.5-13.7000112.3N258 Q260 N265 I266N258-N262 VanDerWaalsContact O-CB 3.31Å; N258-N262 WeakPolarHBondContact O-CB 3.01Å; N258-N262 PolarHBondContact O-N 2.94Å; N258-N262 PolarHBondContact O-ND2 3.27Å; N258-N262 PolarHBondContact O-OD1 3.48Å; Q260-N262 VanDerWaalsContact C-N 3.32Å; Q260-N262 PolarHBondContact O-N 2.9Å; N262-N265 PolarHBondContact O-N 3.15Å; N262-I266 WeakPolarHBondContact O-CG1 3.27Å; N262-I266 PolarHBondContact O-N 3.42Å
263L86.8Confident82.5Confident0 Ų042.6 Ų42.60%022%0.221CC..Hα-helixtrans-63.8-43.6178.6-170.462.6000111.8M58 I67 N72 A75 L132 E259 Q260 M261 I266 F267M58-L263 HydrophobicContact CB-CD2 4.37Å; M58-L263 HydrophobicContact SD-CD1 4.39Å; I67-L263 HydrophobicContact CD1-CB 4.04Å; I67-L263 HydrophobicContact CD1-CD2 3.73Å; I67-L263 HydrophobicContact CG1-CD2 4.2Å; I67-L263 HydrophobicContact CG2-CD2 4.15Å; N72-L263 WeakPolarHBondContact OD1-CA 3.29Å; N72-L263 VanDerWaalsContact OD1-CB 3.29Å; N72-L263 WeakPolarHBondContact OD1-CB 3.35Å; N72-L263 PolarHBondContact OD1-N 2.85Å; N72-L263 VanDerWaalsContact OD1-N 3.15Å; A75-L263 HydrophobicContact CB-CD1 3.61Å; L132-L263 HydrophobicContact CD1-CD2 3.65Å; L132-L263 HydrophobicContact CD1-CG 3.77Å; L132-L263 HydrophobicContact CD2-CD2 3.93Å; L132-L263 HydrophobicContact CG-CD2 4.46Å; E259-L263 PolarHBondContact O-N 2.96Å; E259-L263 VanDerWaalsContact O-N 3.16Å; Q260-L263 PolarHBondContact O-N 3.15Å; M261-L263 PolarHBondContact O-N 3.25Å; L263-I266 PolarHBondContact O-N 2.87Å; L263-F267 HydrophobicContact CD1-CE2 4Å; L263-F267 HydrophobicContact CG-CD2 4.48Å; L263-F267 HydrophobicContact CG-CE2 4.12Å; L263-F267 VanDerWaalsContact O-CD2 3.25Å; L263-F267 WeakPolarHBondContact O-CD2 3.34Å; L263-F267 PolarHBondContact O-N 3.41Å
264I87.1Confident83.5Confident8 Ų838.3 Ų38.34%0.04120%0.198CC..Hα-helixtrans-58.7-50172.2-69.2176.9000110.3Y129 L132 F136 Q260 M261 I266 F267 E268Y129-I264 HydrophobicContact CE2-CG2 4.08Å; L132-I264 HydrophobicContact CB-CG1 4.1Å; F136-I264 HydrophobicContact CB-CD1 4.01Å; F136-I264 HydrophobicContact CD2-CD1 3.69Å; F136-I264 HydrophobicContact CD2-CG1 4.03Å; F136-I264 HydrophobicContact CG-CD1 4.35Å; Q260-I264 PolarHBondContact O-N 2.95Å; M261-I264 PolarHBondContact O-N 3.07Å; I264-I266 VanDerWaalsContact C-N 3.25Å; I264-I266 PolarHBondContact O-N 3.5Å; I264-F267 PolarHBondContact O-N 2.87Å; I264-E268 HydrophobicContact CG2-CG 3.99Å; I264-E268 PolarHBondContact O-N 3.43Å
265N85.8Confident84.3Confident40 Ų4035 Ų3521%0.21418%0.182CC..Hα-helixtrans-59.2-35-177.2-64.6-22.7000112.3M261 N262 E268 V269M261-N265 WeakPolarHBondContact O-CB 3.23Å; M261-N265 PolarHBondContact O-N 2.7Å; M261-N265 PolarHBondContact O-ND2 3.46Å; M261-N265 VanDerWaalsContact O-ND2 3.1Å; M261-N265 PolarHBondContact O-OD1 3.36Å; N262-N265 PolarHBondContact O-N 3.15Å; N265-E268 PolarHBondContact O-N 2.69Å; N265-V269 WeakPolarHBondContact O-CB 3.24Å; N265-V269 VanDerWaalsContact O-CG2 3.24Å; N265-V269 WeakPolarHBondContact O-CG2 3.46Å; N265-V269 PolarHBondContact O-N 2.77Å
266I88.5Confident84.8Confident32 Ų3235.2 Ų35.216%0.16418%0.181CC..Hα-helixtrans-60.5-47.1175.1-71.5162000110.5N72 A75 Q76 C79 N262 L263 I264 F270N72-I266 HydrophobicContact CB-CD1 4.18Å; N72-I266 WeakPolarHBondContact O-CD1 3.2Å; A75-I266 HydrophobicContact CB-CG2 4Å; Q76-I266 HydrophobicContact CB-CD1 4.2Å; C79-I266 HydrophobicContact CB-CG2 4.38Å; N262-I266 WeakPolarHBondContact O-CG1 3.27Å; N262-I266 PolarHBondContact O-N 3.42Å; L263-I266 PolarHBondContact O-N 2.87Å; I264-I266 VanDerWaalsContact C-N 3.25Å; I264-I266 PolarHBondContact O-N 3.5Å; I266-F270 WeakPolarHBondContact O-CB 3.3Å; I266-F270 PolarHBondContact O-N 3.44Å
267F91.6Very high85.3Confident0 Ų033.8 Ų33.80%017%0.174CC..Hα-helixtrans-68.8-39.3177.6-71.8-63.5000112.8L55 M58 A75 I125 V128 Y129 L132 L263 I264 F270 L271L55-F267 HydrophobicContact CD2-CE1 3.96Å; L55-F267 HydrophobicContact CD2-CZ 4.05Å; M58-F267 HydrophobicContact SD-CE2 4.24Å; M58-F267 HydrophobicContact SD-CZ 3.79Å; A75-F267 HydrophobicContact CB-CZ 4.31Å; I125-F267 HydrophobicContact CG2-CD1 3.77Å; I125-F267 HydrophobicContact CG2-CE1 4.16Å; V128-F267 HydrophobicContact CG1-CD2 4.5Å; V128-F267 HydrophobicContact CG1-CE1 4.48Å; V128-F267 HydrophobicContact CG1-CE2 3.74Å; V128-F267 HydrophobicContact CG1-CZ 3.72Å; Y129-F267 HydrophobicContact CD2-CB 4.17Å; L132-F267 HydrophobicContact CD1-CD2 3.78Å; L132-F267 HydrophobicContact CD1-CE2 3.63Å; L263-F267 HydrophobicContact CD1-CE2 4Å; L263-F267 HydrophobicContact CG-CD2 4.48Å; L263-F267 HydrophobicContact CG-CE2 4.12Å; L263-F267 VanDerWaalsContact O-CD2 3.25Å; L263-F267 WeakPolarHBondContact O-CD2 3.34Å; L263-F267 PolarHBondContact O-N 3.41Å; I264-F267 PolarHBondContact O-N 2.87Å; F267-F270 PolarHBondContact O-N 2.71Å; F267-L271 WeakPolarHBondContact O-CB 3.11Å; F267-L271 WeakPolarHBondContact O-CD1 3.43Å; F267-L271 VanDerWaalsContact O-CG 3.25Å; F267-L271 WeakPolarHBondContact O-CG 3.16Å; F267-L271 PolarHBondContact O-N 3.33Å
268E89.6Confident85.8Confident36 Ų3632.9 Ų32.917%0.16817%0.167CC..Hα-helixtrans-64.2-42.2176.1-67.3-167.415800111.9Y129 I264 N265 F272 F355Y129-E268 HydrophobicContact CD2-CG 4.12Å; Y129-E268 HydrophobicContact CE2-CG 3.37Å; Y129-E268 VanDerWaalsContact CE2-OE1 3.26Å; Y129-E268 WeakPolarHBondContact CE2-OE1 3.1Å; Y129-E268 PolarHBondContact OH-OE1 2.6Å; I264-E268 HydrophobicContact CG2-CG 3.99Å; I264-E268 PolarHBondContact O-N 3.43Å; N265-E268 PolarHBondContact O-N 2.69Å; E268-F272 WeakPolarHBondContact O-CB 3.45Å; E268-F272 PolarHBondContact O-N 3.44Å; E268-F355 HydrophobicContact CB-CB 4.19Å; E268-F355 HydrophobicContact CB-CD1 3.69Å; E268-F355 HydrophobicContact CB-CE1 4.08Å; E268-F355 HydrophobicContact CB-CG 3.93Å; E268-F355 VanDerWaalsContact CD-CD1 3.42Å; E268-F355 HydrophobicContact CG-CD1 3.57Å; E268-F355 HydrophobicContact CG-CE1 3.55Å; E268-F355 HydrophobicContact CG-CG 4.3Å; E268-F355 HydrophobicContact CG-CZ 4.27Å; E268-F355 WeakPolarHBondContact OE1-CE1 3.43Å
269V87.5Confident85.9Confident79 Ų7931.6 Ų31.648%0.47916%0.159SC..Hα-helixtrans-64.2-40.8173.7169.40000111.2N265 T273N265-V269 WeakPolarHBondContact O-CB 3.24Å; N265-V269 VanDerWaalsContact O-CG2 3.24Å; N265-V269 WeakPolarHBondContact O-CG2 3.46Å; N265-V269 PolarHBondContact O-N 2.77Å; V269-T273 WeakPolarHBondContact O-CB 3.5Å; V269-T273 PolarHBondContact O-N 2.71Å; V269-T273 PolarHBondContact O-OG1 3.23Å
270F92.6Very high85.8Confident1 Ų132.1 Ų32.10%0.00416%0.157CC..Hα-helixtrans-60.2-57.7176.1171-96.4000111.7C79 L82 I83 T118 I125 I266 F267 F272 T273 I274C79-F270 HydrophobicContact CB-CB 3.95Å; C79-F270 HydrophobicContact CB-CD2 3.65Å; C79-F270 HydrophobicContact CB-CG 4.02Å; L82-F270 HydrophobicContact CB-CE2 3.73Å; L82-F270 HydrophobicContact CB-CZ 4.19Å; L82-F270 HydrophobicContact CD1-CE2 4.45Å; L82-F270 HydrophobicContact CD1-CZ 4.35Å; I83-F270 HydrophobicContact CD1-CD2 3.88Å; I83-F270 HydrophobicContact CG1-CD2 3.65Å; I83-F270 HydrophobicContact CG1-CE2 3.91Å; T118-F270 HydrophobicContact CG2-CZ 4.05Å; I125-F270 HydrophobicContact CD1-CD1 4.29Å; I125-F270 HydrophobicContact CD1-CE1 3.53Å; I125-F270 HydrophobicContact CD1-CZ 3.76Å; I125-F270 HydrophobicContact CG2-CD1 3.84Å; I125-F270 HydrophobicContact CG2-CE1 3.89Å; I266-F270 WeakPolarHBondContact O-CB 3.3Å; I266-F270 PolarHBondContact O-N 3.44Å; F267-F270 PolarHBondContact O-N 2.71Å; F270-F272 VanDerWaalsContact C-N 3.28Å; F270-F272 PolarHBondContact O-N 3.09Å; F270-T273 PolarHBondContact O-N 2.88Å; F270-I274 HydrophobicContact CD1-CG1 4.44Å; F270-I274 HydrophobicContact CD2-CG1 4.23Å; F270-I274 HydrophobicContact CE1-CG1 3.96Å; F270-I274 HydrophobicContact CE2-CD1 3.87Å; F270-I274 HydrophobicContact CE2-CG1 3.73Å; F270-I274 HydrophobicContact CZ-CD1 4.02Å; F270-I274 HydrophobicContact CZ-CG1 3.58Å; F270-I274 WeakPolarHBondContact O-CG1 3.14Å; F270-I274 PolarHBondContact O-N 2.9Å
271L92.1Very high85.3Confident0 Ų033.2 Ų33.20%016%0.161CC..Hα-helixtrans-58.1-42.8-177.7-69.6162.8000111.1L122 I125 I126 Y129 F267 Y275 F355 L364 L367L122-L271 HydrophobicContact CD1-CD2 3.95Å; I125-L271 HydrophobicContact CG2-CD2 4.16Å; I125-L271 HydrophobicContact CG2-CG 4.45Å; I126-L271 HydrophobicContact CG1-CD2 3.87Å; Y129-L271 HydrophobicContact CD1-CD1 4.4Å; Y129-L271 HydrophobicContact CD2-CD1 4.38Å; Y129-L271 HydrophobicContact CG-CD1 4.04Å; F267-L271 WeakPolarHBondContact O-CB 3.11Å; F267-L271 WeakPolarHBondContact O-CD1 3.43Å; F267-L271 VanDerWaalsContact O-CG 3.25Å; F267-L271 WeakPolarHBondContact O-CG 3.16Å; F267-L271 PolarHBondContact O-N 3.33Å; L271-Y275 WeakPolarHBondContact O-CB 3.48Å; L271-Y275 PolarHBondContact O-N 2.85Å; L271-F355 HydrophobicContact CB-CE2 4.12Å; L271-L364 HydrophobicContact CD1-CD2 3.97Å; L271-L364 HydrophobicContact CD2-CD2 4.24Å; L271-L367 HydrophobicContact CB-CD1 3.99Å; L271-L367 HydrophobicContact CD2-CD1 3.77Å; L271-L367 WeakPolarHBondContact O-CD1 3.32Å
272F90Very high84.6Confident21 Ų2132.8 Ų32.89%0.09216%0.16CC..Hα-helixtrans-63-41.2175.4-176.3-120.2000113.1E268 F270 Y275 Q276 E352 Y353 F355 I363E268-F272 WeakPolarHBondContact O-CB 3.45Å; E268-F272 PolarHBondContact O-N 3.44Å; F270-F272 VanDerWaalsContact C-N 3.28Å; F270-F272 PolarHBondContact O-N 3.09Å; F272-Y275 PolarHBondContact O-N 2.95Å; F272-Q276 HydrophobicContact CE1-CG 4.49Å; F272-Q276 VanDerWaalsContact CE1-NE2 3.32Å; F272-Q276 HydrophobicContact CE2-CG 4.35Å; F272-Q276 HydrophobicContact CZ-CG 4.28Å; F272-Q276 WeakPolarHBondContact O-CG 3.46Å; F272-Q276 PolarHBondContact O-N 3.35Å; F272-E352 WeakPolarHBondContact CE2-O 3.27Å; F272-E352 WeakPolarHBondContact CZ-O 3.25Å; F272-Y353 VanDerWaalsContact CZ-C 3.47Å; F272-F355 HydrophobicContact CB-CB 4.16Å; F272-F355 HydrophobicContact CB-CD2 4.04Å; F272-F355 HydrophobicContact CG-CB 4.37Å; F272-I363 HydrophobicContact CD2-CD1 3.91Å; F272-I363 HydrophobicContact CE2-CD1 4.46Å
273T87.1Confident83.6Confident28 Ų2832.2 Ų32.217%0.17216%0.157CC..Hα-helixtrans-66.6-45.4178.9-55.70000111.3I83 V269 F270 Y275 Q276 I277I83-T273 HydrophobicContact CD1-CG2 4.04Å; I83-T273 HydrophobicContact CG1-CG2 4.13Å; I83-T273 HydrophobicContact CG2-CG2 3.8Å; V269-T273 WeakPolarHBondContact O-CB 3.5Å; V269-T273 PolarHBondContact O-N 2.71Å; V269-T273 PolarHBondContact O-OG1 3.23Å; F270-T273 PolarHBondContact O-N 2.88Å; T273-Y275 VanDerWaalsContact C-N 3.31Å; T273-Y275 PolarHBondContact O-N 3.44Å; T273-Q276 PolarHBondContact O-N 3.37Å; T273-I277 HydrophobicContact CG2-CD1 3.99Å; T273-I277 WeakPolarHBondContact O-CD1 3.42Å; T273-I277 WeakPolarHBondContact O-CG1 3.28Å; T273-I277 PolarHBondContact O-N 3.48Å
274I89.8Confident82.2Confident3 Ų335.7 Ų35.72%0.01518%0.175CC..Hα-helixtrans-59.4-44.4174.7-60.3-59.6000110.3I83 Y86 T118 F270 Q276 I277 Y278 L367I83-I274 HydrophobicContact CG1-CD1 4Å; Y86-I274 HydrophobicContact CD1-CD1 3.67Å; Y86-I274 HydrophobicContact CD1-CG2 3.99Å; Y86-I274 HydrophobicContact CE1-CG2 3.8Å; Y86-I274 HydrophobicContact CG-CD1 3.89Å; Y86-I274 HydrophobicContact CG-CG2 4.46Å; T118-I274 HydrophobicContact CG2-CD1 3.96Å; F270-I274 HydrophobicContact CD1-CG1 4.44Å; F270-I274 HydrophobicContact CD2-CG1 4.23Å; F270-I274 HydrophobicContact CE1-CG1 3.96Å; F270-I274 HydrophobicContact CE2-CD1 3.87Å; F270-I274 HydrophobicContact CE2-CG1 3.73Å; F270-I274 HydrophobicContact CZ-CD1 4.02Å; F270-I274 HydrophobicContact CZ-CG1 3.58Å; F270-I274 WeakPolarHBondContact O-CG1 3.14Å; F270-I274 PolarHBondContact O-N 2.9Å; I274-Q276 PolarHBondContact O-N 2.94Å; I274-I277 PolarHBondContact O-N 2.89Å; I274-Y278 WeakPolarHBondContact O-CB 3.31Å; I274-Y278 PolarHBondContact O-N 3.38Å; I274-L367 HydrophobicContact CB-CD2 4.14Å; I274-L367 HydrophobicContact CG2-CD2 3.64Å
275Y87.8Confident80.7Confident10 Ų1041.3 Ų41.34%0.03920%0.199CC..Hα-helixtrans-59.7-43.1175.8169.3-94.5000112.9L271 F272 T273 I277 Y278 Q279 H362 I363 A366L271-Y275 WeakPolarHBondContact O-CB 3.48Å; L271-Y275 PolarHBondContact O-N 2.85Å; F272-Y275 PolarHBondContact O-N 2.95Å; T273-Y275 VanDerWaalsContact C-N 3.31Å; T273-Y275 PolarHBondContact O-N 3.44Å; Y275-I277 PolarHBondContact O-N 3.26Å; Y275-Y278 PolarHBondContact O-N 3.44Å; Y275-Q279 HydrophobicContact CD1-CG 4.35Å; Y275-Q279 HydrophobicContact CD2-CG 4.26Å; Y275-Q279 HydrophobicContact CE1-CG 3.94Å; Y275-Q279 HydrophobicContact CE2-CG 3.85Å; Y275-Q279 VanDerWaalsContact CE2-NE2 3.27Å; Y275-Q279 HydrophobicContact CG-CG 4.5Å; Y275-Q279 WeakPolarHBondContact O-CB 3.47Å; Y275-Q279 VanDerWaalsContact O-CG 3.31Å; Y275-Q279 WeakPolarHBondContact O-CG 3.47Å; Y275-Q279 PolarHBondContact O-N 2.87Å; Y275-Q279 PolarHBondContact OH-NE2 3.23Å; Y275-Q279 VanDerWaalsContact OH-NE2 3.09Å; Y275-H362 PolarHBondContact OH-CD2 2.9Å; Y275-H362 PolarHBondContact OH-NE2 3.37Å; Y275-I363 HydrophobicContact CD1-CG1 4.01Å; Y275-I363 HydrophobicContact CD1-CG2 4.47Å; Y275-I363 HydrophobicContact CD2-CB 4.32Å; Y275-I363 HydrophobicContact CD2-CG1 4.3Å; Y275-I363 HydrophobicContact CD2-CG2 4.16Å; Y275-I363 HydrophobicContact CE1-CG1 4.07Å; Y275-I363 HydrophobicContact CE2-CG1 4.34Å; Y275-I363 HydrophobicContact CG-CB 4.36Å; Y275-I363 HydrophobicContact CG-CG1 4.13Å; Y275-I363 HydrophobicContact CG-CG2 3.9Å; Y275-A366 HydrophobicContact CD2-CB 3.77Å; Y275-A366 HydrophobicContact CE2-CB 3.6Å
276Q83.1Confident78.9Confident86 Ų8643 Ų4340%0.40221%0.208SC..Hα-helixtrans-62.3-41.4175.6-75-177.5-30.800112.1F272 T273 I274 R280F272-Q276 HydrophobicContact CE1-CG 4.49Å; F272-Q276 VanDerWaalsContact CE1-NE2 3.32Å; F272-Q276 HydrophobicContact CE2-CG 4.35Å; F272-Q276 HydrophobicContact CZ-CG 4.28Å; F272-Q276 WeakPolarHBondContact O-CG 3.46Å; F272-Q276 PolarHBondContact O-N 3.35Å; T273-Q276 PolarHBondContact O-N 3.37Å; I274-Q276 PolarHBondContact O-N 2.94Å; Q276-R280 WeakPolarHBondContact O-CB 3.47Å; Q276-R280 PolarHBondContact O-N 3.06Å
277I83.1Confident76.6Confident18 Ų1845 Ų459%0.09223%0.225CC..Hα-helixtrans-66.1-43.5176.1-63.3157.3000110.6I83 Y86 D87 T273 I274 Y275 R280 K281I83-I277 HydrophobicContact CG2-CD1 4.27Å; Y86-I277 HydrophobicContact CD1-CB 3.93Å; Y86-I277 HydrophobicContact CD1-CD1 4.06Å; Y86-I277 HydrophobicContact CD1-CG2 3.59Å; Y86-I277 HydrophobicContact CE1-CB 3.66Å; Y86-I277 HydrophobicContact CE1-CG2 3.37Å; D87-I277 HydrophobicContact CB-CD1 3.81Å; D87-I277 HydrophobicContact CB-CG1 4.46Å; T273-I277 HydrophobicContact CG2-CD1 3.99Å; T273-I277 WeakPolarHBondContact O-CD1 3.42Å; T273-I277 WeakPolarHBondContact O-CG1 3.28Å; T273-I277 PolarHBondContact O-N 3.48Å; I274-I277 PolarHBondContact O-N 2.89Å; Y275-I277 PolarHBondContact O-N 3.26Å; I277-R280 PolarHBondContact O-N 3.38Å; I277-K281 HydrophobicContact CG2-CD 4.19Å; I277-K281 HydrophobicContact CG2-CG 4.49Å; I277-K281 WeakPolarHBondContact O-CB 3.01Å; I277-K281 WeakPolarHBondContact O-CG 3.14Å; I277-K281 PolarHBondContact O-N 3.18Å
278Y83.1Confident74.2Confident31 Ų3149.8 Ų49.812%0.12225%0.249CC..Hα-helixtrans-58.3-48.5175.2171.2-106.8000111.9I274 Y275 R280 K281 N282 A366 E370I274-Y278 WeakPolarHBondContact O-CB 3.31Å; I274-Y278 PolarHBondContact O-N 3.38Å; Y275-Y278 PolarHBondContact O-N 3.44Å; Y278-R280 PolarHBondContact O-N 3.15Å; Y278-K281 PolarHBondContact O-N 3.2Å; Y278-N282 VanDerWaalsContact CE1-ND2 3.34Å; Y278-N282 WeakPolarHBondContact CE1-ND2 3.45Å; Y278-N282 VanDerWaalsContact CE2-ND2 3.26Å; Y278-N282 WeakPolarHBondContact CE2-ND2 3.31Å; Y278-N282 PolarHBondContact O-N 3.43Å; Y278-N282 PolarHBondContact OH-ND2 3.5Å; Y278-A366 HydrophobicContact CE1-CB 4.21Å; Y278-E370 HydrophobicContact CD2-CB 3.99Å; Y278-E370 HydrophobicContact CD2-CG 3.94Å; Y278-E370 VanDerWaalsContact CD2-OE2 3.29Å; Y278-E370 WeakPolarHBondContact CD2-OE2 3.45Å; Y278-E370 HydrophobicContact CE2-CB 3.68Å; Y278-E370 HydrophobicContact CE2-CG 3.88Å
279Q76.9Confident71.7Confident52 Ų5251.8 Ų51.824%0.24326%0.262CS..Hα-helixtrans-62.2-44.5176.7-69.1-66.26.300111.5Y275 K281 N282 L283Y275-Q279 HydrophobicContact CD1-CG 4.35Å; Y275-Q279 HydrophobicContact CD2-CG 4.26Å; Y275-Q279 HydrophobicContact CE1-CG 3.94Å; Y275-Q279 HydrophobicContact CE2-CG 3.85Å; Y275-Q279 VanDerWaalsContact CE2-NE2 3.27Å; Y275-Q279 HydrophobicContact CG-CG 4.5Å; Y275-Q279 WeakPolarHBondContact O-CB 3.47Å; Y275-Q279 VanDerWaalsContact O-CG 3.31Å; Y275-Q279 WeakPolarHBondContact O-CG 3.47Å; Y275-Q279 PolarHBondContact O-N 2.87Å; Y275-Q279 PolarHBondContact OH-NE2 3.23Å; Y275-Q279 VanDerWaalsContact OH-NE2 3.09Å; Q279-K281 PolarHBondContact O-N 3.24Å; Q279-N282 PolarHBondContact O-N 3.27Å; Q279-L283 WeakPolarHBondContact O-CB 3.45Å; Q279-L283 WeakPolarHBondContact O-CD1 3.33Å; Q279-L283 VanDerWaalsContact O-CG 3.31Å; Q279-L283 WeakPolarHBondContact O-CG 3.29Å; Q279-L283 PolarHBondContact O-N 3Å
280R72.9Confident69.3Low103 Ų10357.2 Ų57.239%0.38928%0.282SS..Hα-helixtrans-58.3-45.2174.4-178.2-179.7172.8-153.5-5.5111.7N89 Q276 I277 Y278 N282 L283 L284N89-R280 PolarHBondContact OD1-NH1 3.2Å; Q276-R280 WeakPolarHBondContact O-CB 3.47Å; Q276-R280 PolarHBondContact O-N 3.06Å; I277-R280 PolarHBondContact O-N 3.38Å; Y278-R280 PolarHBondContact O-N 3.15Å; R280-N282 VanDerWaalsContact C-N 3.32Å; R280-N282 PolarHBondContact O-N 3.49Å; R280-L283 PolarHBondContact O-N 2.96Å; R280-L284 HydrophobicContact CG-CD1 4.15Å; R280-L284 VanDerWaalsContact O-CG 3.31Å; R280-L284 WeakPolarHBondContact O-CG 3.12Å; R280-L284 PolarHBondContact O-N 3.1Å
281K71.4Confident66.6Low26 Ų2664.1 Ų64.111%0.11332%0.319CS..Hα-helixtrans-60.5-39.6176.3-74.8172.1-178.9172.20112Y86 Q115 I277 Y278 Q279 K285Y86-K281 PolarHBondContact O-NZ 3.47Å; Q115-K281 VanDerWaalsContact CD-NZ 3.34Å; I277-K281 HydrophobicContact CG2-CD 4.19Å; I277-K281 HydrophobicContact CG2-CG 4.49Å; I277-K281 WeakPolarHBondContact O-CB 3.01Å; I277-K281 WeakPolarHBondContact O-CG 3.14Å; I277-K281 PolarHBondContact O-N 3.18Å; Y278-K281 PolarHBondContact O-N 3.2Å; Q279-K281 PolarHBondContact O-N 3.24Å; K281-K285 WeakPolarHBondContact O-CG 3.32Å; K281-K285 PolarHBondContact O-N 3.08Å
282N66.6Low63.8Low37 Ų3769.1 Ų69.120%0.19835%0.345CS..Hα-helixtrans-74.8-38.8179.2-70.2-20000112.9Y278 Q279 R280 L284 K285 L286Y278-N282 VanDerWaalsContact CE1-ND2 3.34Å; Y278-N282 WeakPolarHBondContact CE1-ND2 3.45Å; Y278-N282 VanDerWaalsContact CE2-ND2 3.26Å; Y278-N282 WeakPolarHBondContact CE2-ND2 3.31Å; Y278-N282 PolarHBondContact O-N 3.43Å; Y278-N282 PolarHBondContact OH-ND2 3.5Å; Q279-N282 PolarHBondContact O-N 3.27Å; R280-N282 VanDerWaalsContact C-N 3.32Å; R280-N282 PolarHBondContact O-N 3.49Å; N282-L284 VanDerWaalsContact C-N 3.32Å; N282-L284 PolarHBondContact O-N 2.65Å; N282-K285 WeakPolarHBondContact O-CB 3.33Å; N282-K285 PolarHBondContact O-N 2.9Å; N282-K285 PolarHBondContact OD1-NZ 2.95Å; N282-L286 WeakPolarHBondContact O-CG 3.42Å; N282-L286 PolarHBondContact O-N 2.72Å
283L62.3Low61.1Low66 Ų6674 Ų7435%0.34637%0.371SS..Hα-helixtrans-60.2-41.8172.8-72.3161.5000111.6Q279 R280 K285 L286 S287 L350Q279-L283 WeakPolarHBondContact O-CB 3.45Å; Q279-L283 WeakPolarHBondContact O-CD1 3.33Å; Q279-L283 VanDerWaalsContact O-CG 3.31Å; Q279-L283 WeakPolarHBondContact O-CG 3.29Å; Q279-L283 PolarHBondContact O-N 3Å; R280-L283 PolarHBondContact O-N 2.96Å; L283-K285 VanDerWaalsContact C-N 3.35Å; L283-K285 PolarHBondContact O-N 2.87Å; L283-L286 WeakPolarHBondContact O-CB 3.13Å; L283-L286 PolarHBondContact O-N 3.08Å; L283-L286 VanDerWaalsContact O-N 3.14Å; L283-S287 PolarHBondContact O-N 3.25Å; L283-S287 PolarHBondContact O-OG 3.28Å; L283-L350 HydrophobicContact CD1-CD1 3.86Å; L283-L350 HydrophobicContact CD1-CD2 3.88Å; L283-L350 HydrophobicContact CD1-CG 4.23Å
284L57.2Low58.5Low73 Ų7377.7 Ų77.738%0.38239%0.386SS..Hα-helixtrans-63.6-36.9174.6-71.6168.1000112.8R280 N282 L286 S287 L288R280-L284 HydrophobicContact CG-CD1 4.15Å; R280-L284 VanDerWaalsContact O-CG 3.31Å; R280-L284 WeakPolarHBondContact O-CG 3.12Å; R280-L284 PolarHBondContact O-N 3.1Å; N282-L284 VanDerWaalsContact C-N 3.32Å; N282-L284 PolarHBondContact O-N 2.65Å; L284-L286 VanDerWaalsContact C-N 3.3Å; L284-L286 PolarHBondContact O-N 3.1Å; L284-S287 WeakPolarHBondContact CA-OG 3.32Å; L284-S287 PolarHBondContact O-OG 3.39Å; L284-S287 VanDerWaalsContact O-OG 3.1Å; L284-L288 WeakPolarHBondContact O-CB 3.23Å; L284-L288 WeakPolarHBondContact O-CD1 3.47Å; L284-L288 VanDerWaalsContact O-CG 3.31Å; L284-L288 WeakPolarHBondContact O-CG 3.34Å; L284-L288 PolarHBondContact O-N 3.17Å
285K56.4Low55.9Low125 Ų12585.4 Ų85.454%0.54343%0.426SS..Hα-helixtrans-67.1-30.6173-69.2168-167.9164.80112.6K281 N282 L283 N289K281-K285 WeakPolarHBondContact O-CG 3.32Å; K281-K285 PolarHBondContact O-N 3.08Å; N282-K285 WeakPolarHBondContact O-CB 3.33Å; N282-K285 PolarHBondContact O-N 2.9Å; N282-K285 PolarHBondContact OD1-NZ 2.95Å; L283-K285 VanDerWaalsContact C-N 3.35Å; L283-K285 PolarHBondContact O-N 2.87Å; K285-N289 PolarHBondContact O-ND2 3.16Å
286L47Very low53.4Low77 Ų7790.5 Ų90.540%0.40345%0.446SS..Hα-helixtrans-74.9-45.1176.2-71.3164.4000111.1N282 L283 L284 L288 N289 E294N282-L286 WeakPolarHBondContact O-CG 3.42Å; N282-L286 PolarHBondContact O-N 2.72Å; L283-L286 WeakPolarHBondContact O-CB 3.13Å; L283-L286 PolarHBondContact O-N 3.08Å; L283-L286 VanDerWaalsContact O-N 3.14Å; L284-L286 VanDerWaalsContact C-N 3.3Å; L284-L286 PolarHBondContact O-N 3.1Å; L286-L288 VanDerWaalsContact C-N 3.28Å; L286-L288 PolarHBondContact O-N 2.96Å; L286-N289 PolarHBondContact O-N 3.13Å; L286-N289 VanDerWaalsContact O-N 3.1Å; L286-E294 HydrophobicContact CD2-CB 3.79Å; L286-E294 HydrophobicContact CD2-CG 4.02Å
287S40.9Very low51.2Low74 Ų7490.3 Ų90.352%0.51744%0.444SS..Hα-helixtrans-66.9-25.7179.260.30000114.1L283 L284 N289L283-S287 PolarHBondContact O-N 3.25Å; L283-S287 PolarHBondContact O-OG 3.28Å; L284-S287 WeakPolarHBondContact CA-OG 3.32Å; L284-S287 PolarHBondContact O-OG 3.39Å; L284-S287 VanDerWaalsContact O-OG 3.1Å; S287-N289 VanDerWaalsContact C-N 3.26Å; S287-N289 PolarHBondContact O-N 3.11Å
288L41.6Very low49.2Very low99 Ų9993.5 Ų93.552%0.51846%0.458SS..THydrogen-bonded Turntrans-80-3.5174.6-72.2168.4000113.7L284 L286L284-L288 WeakPolarHBondContact O-CB 3.23Å; L284-L288 WeakPolarHBondContact O-CD1 3.47Å; L284-L288 VanDerWaalsContact O-CG 3.31Å; L284-L288 WeakPolarHBondContact O-CG 3.34Å; L284-L288 PolarHBondContact O-N 3.17Å; L286-L288 VanDerWaalsContact C-N 3.28Å; L286-L288 PolarHBondContact O-N 2.96Å
289N37.2Very low47.4Very low79 Ų7994.2 Ų94.242%0.42247%0.467SS..  trans-124.158.6-177.2-77.8-67.6000111K285 L286 S287 D291 N292K285-N289 PolarHBondContact O-ND2 3.16Å; L286-N289 PolarHBondContact O-N 3.13Å; L286-N289 VanDerWaalsContact O-N 3.1Å; S287-N289 VanDerWaalsContact C-N 3.26Å; S287-N289 PolarHBondContact O-N 3.11Å; N289-D291 PolarHBondContact O-N 3.02Å; N289-N292 HydrophobicContact CB-CB 4.15Å; N289-N292 PolarHBondContact O-N 3.28Å
290E36.7Very low46.2Very low193 Ų19396 Ų9690%0.90248%0.477SS*.THydrogen-bonded Turntrans-54-28.3179.3-64.7-170.4139.700113.1
291D36Very low45.4Very low146 Ų14694.3 Ų94.378%0.78147%0.472SS*.THydrogen-bonded Turntrans-98.7-3.2177-76.6-33.6000115.6N289N289-D291 PolarHBondContact O-N 3.02Å
292N32.9Very low44.5Very low104 Ų10497.9 Ų97.956%0.55649%0.492SS*.  trans-130.392-173.6-77.3-72000113.9N289 E294N289-N292 HydrophobicContact CB-CB 4.15Å; N289-N292 PolarHBondContact O-N 3.28Å; N292-E294 PolarHBondContact O-N 3.44Å
293I33.2Very low43.6Very low125 Ų12598 Ų9864%0.64150%0.496SS*.  trans-37.992.3161.8-49.4168000111.9I295 Y296I293-I295 VanDerWaalsContact C-N 3.33Å; I293-I295 WeakPolarHBondContact O-CA 3.31Å; I293-I295 PolarHBondContact O-N 3.26Å; I293-Y296 HydrophobicContact CG2-CD2 3.6Å; I293-Y296 HydrophobicContact CG2-CE2 3.7Å; I293-Y296 HydrophobicContact CG2-CG 4.45Å; I293-Y296 PolarHBondContact O-N 3.43Å
294E33.2Very low43.2Very low105 Ų10597.9 Ų97.949%0.49150%0.495SS..THydrogen-bonded Turntrans25.960.3156.4-169.9-172.3-162.600114.9L286 N292 Y296 K339L286-E294 HydrophobicContact CD2-CB 3.79Å; L286-E294 HydrophobicContact CD2-CG 4.02Å; N292-E294 PolarHBondContact O-N 3.44Å; E294-Y296 VanDerWaalsContact C-N 3.25Å; E294-Y296 HydrophobicContact CB-CD2 4.32Å; E294-Y296 HydrophobicContact CB-CE2 4.08Å; E294-Y296 VanDerWaalsContact O-CD2 3.29Å; E294-Y296 WeakPolarHBondContact O-CD2 3.37Å; E294-Y296 PolarHBondContact O-N 3.44Å; E294-K339 WeakPolarHBondContact OE2-CE 3.48Å; E294-K339 IonicContact OE2-NZ 2.85Å; E294-K339 PolarHBondContact OE2-NZ 3.16Å
295I35Very low43.2Very low164 Ų16498 Ų9884%0.84150%0.501SS*.THydrogen-bonded Turntrans2.372.7-165.5-49.4-179.7000113.7I293 F297I293-I295 VanDerWaalsContact C-N 3.33Å; I293-I295 WeakPolarHBondContact O-CA 3.31Å; I293-I295 PolarHBondContact O-N 3.26Å; I295-F297 PolarHBondContact O-N 2.89Å; I295-F297 VanDerWaalsContact O-N 3.13Å
296Y33.7Very low43.4Very low118 Ų11894 Ų9446%0.46349%0.488SS..  trans-62.9123.2173.4-87-118.9000106.7I293 E294 E298 K339I293-Y296 HydrophobicContact CG2-CD2 3.6Å; I293-Y296 HydrophobicContact CG2-CE2 3.7Å; I293-Y296 HydrophobicContact CG2-CG 4.45Å; I293-Y296 PolarHBondContact O-N 3.43Å; E294-Y296 VanDerWaalsContact C-N 3.25Å; E294-Y296 HydrophobicContact CB-CD2 4.32Å; E294-Y296 HydrophobicContact CB-CE2 4.08Å; E294-Y296 VanDerWaalsContact O-CD2 3.29Å; E294-Y296 WeakPolarHBondContact O-CD2 3.37Å; E294-Y296 PolarHBondContact O-N 3.44Å; Y296-E298 VanDerWaalsContact C-N 3.28Å; Y296-E298 PolarHBondContact O-N 2.96Å; Y296-K339 VanDerWaalsContact CE2-NZ 3.3Å; Y296-K339 WeakPolarHBondContact OH-CE 3.2Å; Y296-K339 PolarHBondContact OH-NZ 3.39Å
297F37.8Very low44.3Very low82 Ų8297 Ų9736%0.3650%0.503SS..  trans-63.498.7167.2-174.6-85.8000107.2I295 P299 I300 R708I295-F297 PolarHBondContact O-N 2.89Å; I295-F297 VanDerWaalsContact O-N 3.13Å; F297-P299 WeakPolarHBondContact O-CD 3.41Å; F297-P299 VanDerWaalsContact O-N 3.08Å; F297-I300 HydrophobicContact CZ-CG1 4.27Å; F297-R708 HydrophobicContact CD2-CB 3.35Å; F297-R708 HydrophobicContact CD2-CG 3.9Å; F297-R708 HydrophobicContact CE2-CB 3.41Å; F297-R708 VanDerWaalsContact CE2-CB 3.41Å; F297-R708 HydrophobicContact CE2-CG 3.58Å
298E42.1Very low45Very low85 Ų85102.3 Ų102.340%0.39751%0.513SS..  trans-58.7110.2165.1-167.9179.2-17000105.7Y296 I300 R624Y296-E298 VanDerWaalsContact C-N 3.28Å; Y296-E298 PolarHBondContact O-N 2.96Å; E298-I300 PolarHBondContact O-N 3.5Å; E298-R624 IonicContact OE1-NH1 2.64Å; E298-R624 IonicContact OE2-CZ 3.51Å; E298-R624 IonicContact OE2-NH1 3.8Å; E298-R624 PolarHBondContact OE2-NH1 3.2Å; E298-R624 IonicContact OE2-NH2 3.45Å; E298-R624 PolarHBondContact OE2-NH2 2.88Å
299P45.2Very low45.6Very low45 Ų45100.1 Ų100.129%0.29251%0.505SS..  trans-61.1141.3-177.824.8-30.8000108.9F297 K301 Y328F297-P299 WeakPolarHBondContact O-CD 3.41Å; F297-P299 VanDerWaalsContact O-N 3.08Å; P299-K301 PolarHBondContact O-N 3.33Å; P299-Y328 WeakPolarHBondContact CD-OH 3.05Å; P299-Y328 HydrophobicContact CG-CE2 3.52Å; P299-Y328 VanDerWaalsContact CG-OH 3.26Å; P299-Y328 WeakPolarHBondContact CG-OH 3.49Å
300I51.8Low46.3Very low89 Ų89101.4 Ų101.446%0.45651%0.513SS..  trans-65101.5-177.1-57.7176.3000107.9F297 E298 L302F297-I300 HydrophobicContact CZ-CG1 4.27Å; E298-I300 PolarHBondContact O-N 3.5Å; I300-L302 PolarHBondContact O-N 2.84Å
301K55.8Low46.9Very low68 Ų6897.8 Ų97.830%0.29650%0.495SS..  trans-74.2113.5173-66.9-173.9-179.8-176.40107.7P299 C303 N304P299-K301 PolarHBondContact O-N 3.33Å; K301-C303 PolarHBondContact O-N 3.23Å; K301-C303 VanDerWaalsContact O-N 3.15Å; K301-N304 HydrophobicContact CB-CB 4.12Å; K301-N304 PolarHBondContact O-N 3.42Å
302L51.9Low47.4Very low101 Ų10196.5 Ų96.553%0.52949%0.488SS..THydrogen-bonded Turntrans-65.8-10.3175.7-66.4173.9000113.5I300I300-L302 PolarHBondContact O-N 2.84Å
303C48.2Very low48.1Very low41 Ų41100.4 Ų100.428%0.27750%0.5SS..THydrogen-bonded Turntrans-87.4-9.7169.252.90000113.8K301K301-C303 PolarHBondContact O-N 3.23Å; K301-C303 VanDerWaalsContact O-N 3.15Å
304N54.2Low48.8Very low62 Ų6297 Ų9733%0.33248%0.484SS..SBendtrans-99.6144.7172.3-69.97.8000109.5K301 S306K301-N304 HydrophobicContact CB-CB 4.12Å; K301-N304 PolarHBondContact O-N 3.42Å; N304-S306 PolarHBondContact O-N 2.77Å
305P55.5Low49.7Very low76 Ų7699.2 Ų99.249%0.49449%0.491SS..  trans-67134.6171.829.4-30.8000108.9C309 E311P305-C309 WeakPolarHBondContact CA-O 3.41Å; P305-E311 HydrophobicContact CB-CG 4.35Å; P305-E311 WeakPolarHBondContact CD-OE1 3.34Å; P305-E311 HydrophobicContact CG-CG 4.35Å
306S61.7Low50.4Low40 Ų4099.2 Ų99.228%0.2849%0.493SS..BIsolated β-bridgetrans-133170.9179.478.60000110.1N304 Y308 C309N304-S306 PolarHBondContact O-N 2.77Å; S306-Y308 PolarHBondContact O-N 3.15Å; S306-Y308 PolarHBondContact OG-N 3.32Å; S306-C309 PolarHBondContact N-O 3.27Å; S306-C309 PolarHBondContact O-N 3.35Å; S306-C309 PolarHBondContact OG-N 3.09Å
307I65.4Low51.3Low141 Ų14198.3 Ų98.372%0.72349%0.493SS*.THydrogen-bonded Turntrans-56.8-19.3176.6-58.8171.4000112W595I307-W595 HydrophobicContact CD1-CZ2 4.43Å
308Y56.6Low51.9Low185 Ų18597.8 Ų97.873%0.72549%0.493SS*.THydrogen-bonded Turntrans-109.6-12.7-177-52.5-71.7000114.7S306S306-Y308 PolarHBondContact O-N 3.15Å; S306-Y308 PolarHBondContact OG-N 3.32Å
309C52.9Low52.3Low53 Ų53100.8 Ų100.836%0.35851%0.512SS..BIsolated β-bridgetrans-150.1126.2-175.6-58.70000111.4P305 S306P305-C309 WeakPolarHBondContact CA-O 3.41Å; S306-C309 PolarHBondContact N-O 3.27Å; S306-C309 PolarHBondContact O-N 3.35Å; S306-C309 PolarHBondContact OG-N 3.09Å
310D53.1Low52.6Low107 Ų107105.5 Ų105.557%0.57253%0.528SS*.  trans-81.3147.1163.6-75-40.9000110.9L312D310-L312 PolarHBondContact O-N 2.89Å
311E48.2Very low52.5Low116 Ų116104 Ų10454%0.54252%0.52SS..G310 helixtrans-52.2-18.5177.7-96.3172.3170.600115.1P305 F313P305-E311 HydrophobicContact CB-CG 4.35Å; P305-E311 WeakPolarHBondContact CD-OE1 3.34Å; P305-E311 HydrophobicContact CG-CG 4.35Å; E311-F313 VanDerWaalsContact C-N 3.29Å; E311-F313 PolarHBondContact O-N 2.97Å
312L47.3Very low52.2Low119 Ų119105.8 Ų105.862%0.62353%0.533SS*.G310 helixtrans-66.4-21.7-167.3-78.1161.7000115D310D310-L312 PolarHBondContact O-N 2.89Å
313F46.8Very low51.9Low186 Ų186109 Ų10982%0.81654%0.539SS*.G310 helixtrans-78.9-18.2-173-79.3-80.5000115.6E311E311-F313 VanDerWaalsContact C-N 3.29Å; E311-F313 PolarHBondContact O-N 2.97Å
314N48.1Very low51.9Low54 Ų54111.9 Ų111.929%0.28955%0.551SS.*G310 helixtrans-113.813.7-166.9-82.2-24.4000116.3N316 E317 I318N314-N316 PolarHBondContact O-N 3.34Å; N314-E317 PolarHBondContact O-N 2.89Å; N314-I318 HydrophobicContact CB-CG1 4.41Å; N314-I318 WeakPolarHBondContact O-CG1 3.5Å; N314-I318 PolarHBondContact O-N 2.81Å
315K51.6Low51.6Low151 Ų151111.2 Ų111.266%0.65755%0.549SS*.THydrogen-bonded Turntrans-53.3-21.4-174.5-75.3-173.7175.4179.30116.2
316N51.3Low51.4Low164 Ų164114.9 Ų114.988%0.87756%0.557SS**THydrogen-bonded Turntrans-98.5-9.2178.7-67.2-10000114.8N314N314-N316 PolarHBondContact O-N 3.34Å
317E51.5Low50.9Low100 Ų100116.2 Ų116.247%0.46756%0.561SS.*THydrogen-bonded Turntrans-112.8-10.8-178.6-68.6-135.9114.500114.5N314 N319 K320N314-E317 PolarHBondContact O-N 2.89Å; E317-N319 PolarHBondContact O-N 3.27Å; E317-N319 VanDerWaalsContact O-N 3.07Å; E317-K320 PolarHBondContact O-N 2.98Å; E317-K320 IonicContact OE1-NZ 2.9Å; E317-K320 PolarHBondContact OE1-NZ 2.91Å
318I50.3Low50Low70 Ų70113.3 Ų113.336%0.35954%0.542SS..Hα-helixtrans-52.2-34.4-178.4-74.2162.2000112.9N314 K320 M321N314-I318 HydrophobicContact CB-CG1 4.41Å; N314-I318 WeakPolarHBondContact O-CG1 3.5Å; N314-I318 PolarHBondContact O-N 2.81Å; I318-K320 PolarHBondContact O-N 3.11Å; I318-K320 VanDerWaalsContact O-N 3.14Å; I318-M321 WeakPolarHBondContact O-CB 3.31Å; I318-M321 PolarHBondContact O-N 3.13Å
319N50.4Low49.4Very low148 Ų148108.5 Ų108.579%0.79153%0.529SS*.Hα-helixtrans-66.1-14178.2-67.4-5.3000114.8E317E317-N319 PolarHBondContact O-N 3.27Å; E317-N319 VanDerWaalsContact O-N 3.07Å
320K52.3Low48.8Very low145 Ų145111.9 Ų111.963%0.6354%0.539SS*.Hα-helixtrans-86.8-23.6169-67.8176.9-171.8160.10112.4E317 I318 D322E317-K320 PolarHBondContact O-N 2.98Å; E317-K320 IonicContact OE1-NZ 2.9Å; E317-K320 PolarHBondContact OE1-NZ 2.91Å; I318-K320 PolarHBondContact O-N 3.11Å; I318-K320 VanDerWaalsContact O-N 3.14Å; K320-D322 PolarHBondContact O-N 3.34Å
321M48.9Very low48.1Very low57 Ų57111.3 Ų111.328%0.28154%0.535SS..Hα-helixtrans-71.7-26.6-175.9-72.9-70.9-177.300112.8I318 Y323 L324 T325I318-M321 WeakPolarHBondContact O-CB 3.31Å; I318-M321 PolarHBondContact O-N 3.13Å; M321-Y323 PolarHBondContact O-N 2.95Å; M321-Y323 VanDerWaalsContact O-N 3.15Å; M321-L324 CarbonylContact O-C 3.59Å; M321-L324 WeakPolarHBondContact O-CA 3.27Å; M321-L324 WeakPolarHBondContact O-CB 3.34Å; M321-L324 PolarHBondContact O-N 3.29Å; M321-L324 HydrophobicContact SD-CD1 3.8Å; M321-T325 PolarHBondContact O-N 3.04Å; M321-T325 PolarHBondContact O-OG1 2.92Å; M321-T325 VanDerWaalsContact O-OG1 3.08Å
322D49.2Very low47.7Very low106 Ų106108.1 Ų108.157%0.56752%0.524SS*.Hα-helixtrans-54.9-33.2176.5-81.6-7.7000113.8K320 K326K320-D322 PolarHBondContact O-N 3.34Å; D322-K326 PolarHBondContact O-N 3.36Å
323Y46.6Very low46.9Very low169 Ų169106.8 Ų106.866%0.66352%0.52SS*.Hα-helixtrans-70.2-40.1175.9-173.9-99.4000112M321 K326 L327M321-Y323 PolarHBondContact O-N 2.95Å; M321-Y323 VanDerWaalsContact O-N 3.15Å; Y323-K326 PolarHBondContact O-N 3Å; Y323-L327 HydrophobicContact CD1-CD1 3.96Å; Y323-L327 HydrophobicContact CE1-CD1 3.53Å; Y323-L327 HydrophobicContact CE1-CG 4.37Å; Y323-L327 PolarHBondContact O-N 3.45Å; Y323-L327 VanDerWaalsContact O-N 3.1Å
324L48.3Very low46Very low100 Ų100102.9 Ų102.952%0.52451%0.507SS..Hα-helixtrans-69.8-36.9175.2-68.2171.4000111.4M321 L327 Y328M321-L324 CarbonylContact O-C 3.59Å; M321-L324 WeakPolarHBondContact O-CA 3.27Å; M321-L324 WeakPolarHBondContact O-CB 3.34Å; M321-L324 PolarHBondContact O-N 3.29Å; M321-L324 HydrophobicContact SD-CD1 3.8Å; L324-L327 PolarHBondContact O-N 2.94Å; L324-Y328 VanDerWaalsContact O-CB 3.26Å; L324-Y328 WeakPolarHBondContact O-CB 3.33Å; L324-Y328 PolarHBondContact O-N 3.44Å
325T48.2Very low45.4Very low49 Ų49104.4 Ų104.430%0.30151%0.512SS..Hα-helixtrans-62.4-43173-530000111.2M321 Y328 D329M321-T325 PolarHBondContact O-N 3.04Å; M321-T325 PolarHBondContact O-OG1 2.92Å; M321-T325 VanDerWaalsContact O-OG1 3.08Å; T325-Y328 WeakPolarHBondContact O-CB 3.43Å; T325-Y328 PolarHBondContact O-N 2.54Å; T325-Y328 VanDerWaalsContact O-N 3.16Å; T325-D329 PolarHBondContact O-N 3.32Å
326K51.3Low44.4Very low152 Ų152102.9 Ų102.966%0.66151%0.507SS*.Hα-helixtrans-63.7-42.9174.9-82.1179.6175.2174.10113.9D322 Y323 Y328 D329 Q330D322-K326 PolarHBondContact O-N 3.36Å; Y323-K326 PolarHBondContact O-N 3Å; K326-Y328 PolarHBondContact O-N 3.25Å; K326-D329 PolarHBondContact O-N 3.2Å; K326-Q330 WeakPolarHBondContact O-CG 3.45Å; K326-Q330 PolarHBondContact O-N 3.21Å; K326-Q330 VanDerWaalsContact O-N 3.15Å
327L51.4Low43.4Very low69 Ų6997.5 Ų97.536%0.36148%0.482SS..Hα-helixtrans-62.2-36.5172.5-80.6168.7000111.5Y323 L324 L331Y323-L327 HydrophobicContact CD1-CD1 3.96Å; Y323-L327 HydrophobicContact CE1-CD1 3.53Å; Y323-L327 HydrophobicContact CE1-CG 4.37Å; Y323-L327 PolarHBondContact O-N 3.45Å; Y323-L327 VanDerWaalsContact O-N 3.1Å; L324-L327 PolarHBondContact O-N 2.94Å; L327-L331 WeakPolarHBondContact O-CG 3.15Å; L327-L331 PolarHBondContact O-N 3.42Å
328Y46.5Very low42.4Very low79 Ų7995.3 Ų95.331%0.3147%0.473SS..Hα-helixtrans-66.6-46177.5-172.3-96.4000112.3P299 L324 T325 K326 Q330 L331 V332P299-Y328 WeakPolarHBondContact CD-OH 3.05Å; P299-Y328 HydrophobicContact CG-CE2 3.52Å; P299-Y328 VanDerWaalsContact CG-OH 3.26Å; P299-Y328 WeakPolarHBondContact CG-OH 3.49Å; L324-Y328 VanDerWaalsContact O-CB 3.26Å; L324-Y328 WeakPolarHBondContact O-CB 3.33Å; L324-Y328 PolarHBondContact O-N 3.44Å; T325-Y328 WeakPolarHBondContact O-CB 3.43Å; T325-Y328 PolarHBondContact O-N 2.54Å; T325-Y328 VanDerWaalsContact O-N 3.16Å; K326-Y328 PolarHBondContact O-N 3.25Å; Y328-Q330 VanDerWaalsContact C-N 3.3Å; Y328-Q330 PolarHBondContact O-N 3.09Å; Y328-L331 CarbonylContact O-C 3.58Å; Y328-L331 WeakPolarHBondContact O-CB 3.29Å; Y328-L331 PolarHBondContact O-N 3.19Å; Y328-L331 VanDerWaalsContact O-N 3.1Å; Y328-V332 HydrophobicContact CD1-CG2 3.97Å; Y328-V332 HydrophobicContact CE1-CG2 3.48Å; Y328-V332 VanDerWaalsContact CE1-CG2 3.48Å; Y328-V332 HydrophobicContact CE2-CG2 4.46Å; Y328-V332 WeakPolarHBondContact O-CG2 3.32Å; Y328-V332 PolarHBondContact O-N 3.48Å
329D42.9Very low41.8Very low85 Ų8594 Ų9446%0.45547%0.465SS..Hα-helixtrans-62.3-38.7177.5-65.4-23.1000111.2T325 K326 V332 V333T325-D329 PolarHBondContact O-N 3.32Å; K326-D329 PolarHBondContact O-N 3.2Å; D329-V332 PolarHBondContact O-N 2.93Å; D329-V333 WeakPolarHBondContact O-CG2 3.31Å; D329-V333 PolarHBondContact O-N 2.96Å
330Q40.1Very low40.9Very low123 Ų12392.5 Ų92.558%0.57546%0.457SS*.Hα-helixtrans-62.3-41.8171.7-71.8177.4-12.500112.6K326 Y328 V332 V333 L334K326-Q330 WeakPolarHBondContact O-CG 3.45Å; K326-Q330 PolarHBondContact O-N 3.21Å; K326-Q330 VanDerWaalsContact O-N 3.15Å; Y328-Q330 VanDerWaalsContact C-N 3.3Å; Y328-Q330 PolarHBondContact O-N 3.09Å; Q330-V332 VanDerWaalsContact C-N 3.33Å; Q330-V332 PolarHBondContact O-N 2.91Å; Q330-V333 PolarHBondContact O-N 3.45Å; Q330-L334 WeakPolarHBondContact O-CG 3.44Å; Q330-L334 PolarHBondContact O-N 3.27Å
331L38.4Very low39.9Very low95 Ų9590.2 Ų90.250%0.49745%0.451SS..Hα-helixtrans-68-28.7175.5-75.5166.5000113.3L327 Y328 K335L327-L331 WeakPolarHBondContact O-CG 3.15Å; L327-L331 PolarHBondContact O-N 3.42Å; Y328-L331 CarbonylContact O-C 3.58Å; Y328-L331 WeakPolarHBondContact O-CB 3.29Å; Y328-L331 PolarHBondContact O-N 3.19Å; Y328-L331 VanDerWaalsContact O-N 3.1Å; L331-K335 WeakPolarHBondContact O-CD 3.4Å; L331-K335 VanDerWaalsContact O-CG 3.26Å; L331-K335 WeakPolarHBondContact O-CG 3.25Å; L331-K335 PolarHBondContact O-N 3.17Å
332V39.8Very low39.3Very low49 Ų4991 Ų9130%0.29746%0.456SS..Hα-helixtrans-76.1-42.6174.3171.70000111Y328 D329 Q330 K335 Q336Y328-V332 HydrophobicContact CD1-CG2 3.97Å; Y328-V332 HydrophobicContact CE1-CG2 3.48Å; Y328-V332 VanDerWaalsContact CE1-CG2 3.48Å; Y328-V332 HydrophobicContact CE2-CG2 4.46Å; Y328-V332 WeakPolarHBondContact O-CG2 3.32Å; Y328-V332 PolarHBondContact O-N 3.48Å; D329-V332 PolarHBondContact O-N 2.93Å; Q330-V332 VanDerWaalsContact C-N 3.33Å; Q330-V332 PolarHBondContact O-N 2.91Å; V332-K335 PolarHBondContact O-N 3.47Å; V332-Q336 PolarHBondContact O-N 3.1Å
333V30.9Very low38.6Very low91 Ų9190.6 Ų90.655%0.55245%0.451SS*.Hα-helixtrans-62.4-45177169.70000111.3D329 Q330 K335 Q336 S337D329-V333 WeakPolarHBondContact O-CG2 3.31Å; D329-V333 PolarHBondContact O-N 2.96Å; Q330-V333 PolarHBondContact O-N 3.45Å; V333-K335 VanDerWaalsContact C-N 3.28Å; V333-K335 PolarHBondContact O-N 3.43Å; V333-Q336 PolarHBondContact O-N 2.91Å; V333-S337 PolarHBondContact O-N 3.22Å; V333-S337 PolarHBondContact O-OG 3.06Å
334L29.2Very low37.9Very low104 Ų10489.2 Ų89.255%0.54545%0.451SS..Hα-helixtrans-57.6-41.4174.3-75.1167.9000111.9Q330 Q336 S337 D338Q330-L334 WeakPolarHBondContact O-CG 3.44Å; Q330-L334 PolarHBondContact O-N 3.27Å; L334-Q336 VanDerWaalsContact C-N 3.34Å; L334-Q336 PolarHBondContact O-N 3.38Å; L334-S337 WeakPolarHBondContact CA-OG 3.24Å; L334-S337 PolarHBondContact O-N 3.26Å; L334-S337 PolarHBondContact O-OG 3.44Å; L334-D338 PolarHBondContact O-N 3.09Å
335K35Very low37.4Very low87 Ų8787.5 Ų87.538%0.37844%0.442SS..Hα-helixtrans-68.6-27.1175.9-75.3174.6-179.6-178.80113.7L331 V332 V333 K339L331-K335 WeakPolarHBondContact O-CD 3.4Å; L331-K335 VanDerWaalsContact O-CG 3.26Å; L331-K335 WeakPolarHBondContact O-CG 3.25Å; L331-K335 PolarHBondContact O-N 3.17Å; V332-K335 PolarHBondContact O-N 3.47Å; V333-K335 VanDerWaalsContact C-N 3.28Å; V333-K335 PolarHBondContact O-N 3.43Å; K335-K339 WeakPolarHBondContact O-CB 3.39Å; K335-K339 PolarHBondContact O-N 3.4Å
336Q31Very low36.9Very low119 Ų11987.3 Ų87.356%0.55644%0.443SS*.Hα-helixtrans-76-38.9173.6-77.8178.3-28.500112.1V332 V333 L334 D338 K339 L340V332-Q336 PolarHBondContact O-N 3.1Å; V333-Q336 PolarHBondContact O-N 2.91Å; L334-Q336 VanDerWaalsContact C-N 3.34Å; L334-Q336 PolarHBondContact O-N 3.38Å; Q336-D338 VanDerWaalsContact C-N 3.35Å; Q336-K339 WeakPolarHBondContact O-CA 3.25Å; Q336-K339 WeakPolarHBondContact O-CB 3.37Å; Q336-K339 PolarHBondContact O-N 3Å; Q336-L340 PolarHBondContact O-N 3.38Å
337S30Very low36.1Very low51 Ų5185.1 Ų85.136%0.35744%0.438SS..Hα-helixtrans-63.5-40.7170.3430000112V333 L334 K339 L340 N341V333-S337 PolarHBondContact O-N 3.22Å; V333-S337 PolarHBondContact O-OG 3.06Å; L334-S337 WeakPolarHBondContact CA-OG 3.24Å; L334-S337 PolarHBondContact O-N 3.26Å; L334-S337 PolarHBondContact O-OG 3.44Å; S337-K339 PolarHBondContact O-N 2.96Å; S337-L340 PolarHBondContact O-N 3.01Å; S337-N341 VanDerWaalsContact O-CG 3.3Å; S337-N341 PolarHBondContact O-N 3.49Å; S337-N341 VanDerWaalsContact O-N 3.11Å; S337-N341 PolarHBondContact O-ND2 3.42Å
338D30.8Very low35.4Very low53 Ų5390.1 Ų90.128%0.28345%0.453SS..Hα-helixtrans-63.1-27.2171.2-75.6-18.9000112.1L334 Q336 N342L334-D338 PolarHBondContact O-N 3.09Å; Q336-D338 VanDerWaalsContact C-N 3.35Å; D338-N342 WeakPolarHBondContact O-CB 3.48Å; D338-N342 PolarHBondContact O-N 2.93Å; D338-N342 PolarHBondContact O-ND2 3.35Å
339K36.5Very low35.3Very low44 Ų4489.4 Ų89.419%0.19145%0.451CS..Hα-helixtrans-74.2-45.3178-145.2176.1-169.3171.10112.6E294 Y296 K335 Q336 S337 N341 N342 E343E294-K339 WeakPolarHBondContact OE2-CE 3.48Å; E294-K339 IonicContact OE2-NZ 2.85Å; E294-K339 PolarHBondContact OE2-NZ 3.16Å; Y296-K339 VanDerWaalsContact CE2-NZ 3.3Å; Y296-K339 WeakPolarHBondContact OH-CE 3.2Å; Y296-K339 PolarHBondContact OH-NZ 3.39Å; K335-K339 WeakPolarHBondContact O-CB 3.39Å; K335-K339 PolarHBondContact O-N 3.4Å; Q336-K339 WeakPolarHBondContact O-CA 3.25Å; Q336-K339 WeakPolarHBondContact O-CB 3.37Å; Q336-K339 PolarHBondContact O-N 3Å; S337-K339 PolarHBondContact O-N 2.96Å; K339-N341 VanDerWaalsContact C-N 3.28Å; K339-N341 PolarHBondContact O-N 3.42Å; K339-N342 CarbonylContact O-C 3.3Å; K339-N342 PolarHBondContact O-N 3.37Å; K339-N342 VanDerWaalsContact O-N 3.1Å; K339-E343 WeakPolarHBondContact O-CB 3.45Å; K339-E343 WeakPolarHBondContact O-CG 3.46Å; K339-E343 PolarHBondContact O-N 2.92Å
340L31.4Very low35.5Very low116 Ų11689.7 Ų89.761%0.60745%0.452SS*.Hα-helixtrans-57.7-41.7171.5-86156000111.8Q336 S337 Q344Q336-L340 PolarHBondContact O-N 3.38Å; S337-L340 PolarHBondContact O-N 3.01Å; L340-Q344 PolarHBondContact O-N 3.44Å
341N32Very low35.7Very low96 Ų9688.1 Ų88.151%0.51345%0.447SS..Hα-helixtrans-65.7-43.6173.5-67.2-25.1000111.5S337 K339 E343 Q344 D345S337-N341 VanDerWaalsContact O-CG 3.3Å; S337-N341 PolarHBondContact O-N 3.49Å; S337-N341 VanDerWaalsContact O-N 3.11Å; S337-N341 PolarHBondContact O-ND2 3.42Å; K339-N341 VanDerWaalsContact C-N 3.28Å; K339-N341 PolarHBondContact O-N 3.42Å; N341-E343 PolarHBondContact O-N 3.37Å; N341-Q344 PolarHBondContact O-N 3.3Å; N341-D345 WeakPolarHBondContact O-CB 3.41Å; N341-D345 PolarHBondContact O-N 2.71Å
342N35.3Very low36.4Very low73 Ų7386.2 Ų86.239%0.3944%0.436SS..Hα-helixtrans-73.5-18.8178.6-84.4-68.2000114.8D338 K339 D345 S346 K349D338-N342 WeakPolarHBondContact O-CB 3.48Å; D338-N342 PolarHBondContact O-N 2.93Å; D338-N342 PolarHBondContact O-ND2 3.35Å; K339-N342 CarbonylContact O-C 3.3Å; K339-N342 PolarHBondContact O-N 3.37Å; K339-N342 VanDerWaalsContact O-N 3.1Å; N342-D345 CarbonylContact O-C 3.46Å; N342-S346 WeakPolarHBondContact O-CA 3.49Å; N342-S346 WeakPolarHBondContact O-CB 3.47Å; N342-S346 PolarHBondContact O-N 2.92Å; N342-S346 PolarHBondContact O-OG 2.96Å; N342-S346 VanDerWaalsContact O-OG 3.08Å; N342-K349 PolarHBondContact OD1-NZ 2.98Å
343E34.6Very low37.2Very low98 Ų9890.1 Ų90.146%0.45845%0.446SS..Hα-helixtrans-80-36.5172.8-78.9171.5-171.800111.4K339 N341 S346 N347K339-E343 WeakPolarHBondContact O-CB 3.45Å; K339-E343 WeakPolarHBondContact O-CG 3.46Å; K339-E343 PolarHBondContact O-N 2.92Å; N341-E343 PolarHBondContact O-N 3.37Å; E343-S346 WeakPolarHBondContact CA-OG 3.31Å; E343-S346 PolarHBondContact O-OG 3.18Å; E343-N347 PolarHBondContact O-N 3.35Å; E343-N347 PolarHBondContact O-ND2 3.43Å; E343-N347 VanDerWaalsContact O-ND2 3.08Å
344Q33Very low39.2Very low140 Ų14089.8 Ų89.865%0.65444%0.444SS*.Hα-helixtrans-66.7-39.5165.6-67.5-171.7-3.100111.2L340 N341 R348L340-Q344 PolarHBondContact O-N 3.44Å; N341-Q344 PolarHBondContact O-N 3.3Å; Q344-R348 PolarHBondContact O-N 2.72Å
345D37.6Very low41.6Very low65 Ų6586 Ų8635%0.34842%0.424SS..Hα-helixtrans-78-21177.3-102.57000114.2N341 N342 R348 K349N341-D345 WeakPolarHBondContact O-CB 3.41Å; N341-D345 PolarHBondContact O-N 2.71Å; N342-D345 CarbonylContact O-C 3.46Å; D345-R348 CarbonylContact O-C 3.58Å; D345-R348 WeakPolarHBondContact O-CB 3.49Å; D345-R348 PolarHBondContact O-N 3.26Å; D345-R348 WeakPolarHBondContact OD1-CD 3.47Å; D345-R348 IonicContact OD1-NH1 2.66Å; D345-K349 WeakPolarHBondContact O-CB 3.47Å; D345-K349 WeakPolarHBondContact O-CD 3.47Å; D345-K349 WeakPolarHBondContact O-CG 3.39Å; D345-K349 PolarHBondContact O-N 3.29Å
346S36.4Very low43.8Very low44 Ų4484.5 Ų84.531%0.30842%0.42SS..Hα-helixtrans-77-37.9176.560.20000111.2N342 E343 R348 K349 L350N342-S346 WeakPolarHBondContact O-CA 3.49Å; N342-S346 WeakPolarHBondContact O-CB 3.47Å; N342-S346 PolarHBondContact O-N 2.92Å; N342-S346 PolarHBondContact O-OG 2.96Å; N342-S346 VanDerWaalsContact O-OG 3.08Å; E343-S346 WeakPolarHBondContact CA-OG 3.31Å; E343-S346 PolarHBondContact O-OG 3.18Å; S346-R348 PolarHBondContact O-N 2.96Å; S346-K349 PolarHBondContact O-N 3.36Å; S346-L350 PolarHBondContact O-N 3.1Å
347N36Very low46Very low107 Ų10784.2 Ų84.257%0.57243%0.431SS*.Hα-helixtrans-62.5-26.1165.1-74-50000112.6E343 N351E343-N347 PolarHBondContact O-N 3.35Å; E343-N347 PolarHBondContact O-ND2 3.43Å; E343-N347 VanDerWaalsContact O-ND2 3.08Å; N347-N351 PolarHBondContact O-ND2 3.46Å
348R36.9Very low48.3Very low174 Ų17492.7 Ų92.766%0.65746%0.455SS*.Hα-helixtrans-80.3-37.5167.8-74.5175.6163173.3-1.7113.9Q344 D345 S346 L350 N351Q344-R348 PolarHBondContact O-N 2.72Å; D345-R348 CarbonylContact O-C 3.58Å; D345-R348 WeakPolarHBondContact O-CB 3.49Å; D345-R348 PolarHBondContact O-N 3.26Å; D345-R348 WeakPolarHBondContact OD1-CD 3.47Å; D345-R348 IonicContact OD1-NH1 2.66Å; S346-R348 PolarHBondContact O-N 2.96Å; R348-L350 VanDerWaalsContact C-N 3.29Å; R348-L350 PolarHBondContact O-N 3.49Å; R348-N351 WeakPolarHBondContact O-CA 3.41Å; R348-N351 WeakPolarHBondContact O-CB 3.48Å; R348-N351 PolarHBondContact O-N 3.46Å
349K44.6Very low50.8Low63 Ų6390.3 Ų90.327%0.27444%0.442SS..Hα-helixtrans-66.5-30.8178.6-73.5155.9-170.5163.40111.6N342 D345 S346 N351 E352N342-K349 PolarHBondContact OD1-NZ 2.98Å; D345-K349 WeakPolarHBondContact O-CB 3.47Å; D345-K349 WeakPolarHBondContact O-CD 3.47Å; D345-K349 WeakPolarHBondContact O-CG 3.39Å; D345-K349 PolarHBondContact O-N 3.29Å; S346-K349 PolarHBondContact O-N 3.36Å; K349-N351 PolarHBondContact O-N 3.18Å; K349-E352 PolarHBondContact O-N 3.14Å
350L46.5Very low53.2Low91 Ų9189 Ų8948%0.47644%0.436SS..THydrogen-bonded Turntrans-61.5-21.5168.1-85.8160.7000113.9L283 S346 R348L283-L350 HydrophobicContact CD1-CD1 3.86Å; L283-L350 HydrophobicContact CD1-CD2 3.88Å; L283-L350 HydrophobicContact CD1-CG 4.23Å; S346-L350 PolarHBondContact O-N 3.1Å; R348-L350 VanDerWaalsContact C-N 3.29Å; R348-L350 PolarHBondContact O-N 3.49Å
351N43.3Very low56Low90 Ų9084.6 Ų84.648%0.48141%0.413SS..THydrogen-bonded Turntrans-91.610.2176.4-71.3-58.7000113.5N347 R348 K349 Y353N347-N351 PolarHBondContact O-ND2 3.46Å; R348-N351 WeakPolarHBondContact O-CA 3.41Å; R348-N351 WeakPolarHBondContact O-CB 3.48Å; R348-N351 PolarHBondContact O-N 3.46Å; K349-N351 PolarHBondContact O-N 3.18Å; N351-Y353 HydrophobicContact CB-CE2 4.05Å; N351-Y353 WeakPolarHBondContact O-CD2 3.31Å; N351-Y353 VanDerWaalsContact O-CE2 3.23Å; N351-Y353 WeakPolarHBondContact O-CE2 3.47Å; N351-Y353 PolarHBondContact O-N 3.2Å; N351-Y353 VanDerWaalsContact O-N 3.16Å; N351-Y353 PolarHBondContact OD1-OH 2.88Å
352E53Low58.5Low56 Ų5683.8 Ų83.826%0.26241%0.406SS..  trans-75.3101.3166-66.6-167.715800109.2F272 K349 N359F272-E352 WeakPolarHBondContact CE2-O 3.27Å; F272-E352 WeakPolarHBondContact CZ-O 3.25Å; K349-E352 PolarHBondContact O-N 3.14Å; E352-N359 WeakPolarHBondContact OE1-CB 3.33Å; E352-N359 WeakPolarHBondContact OE2-CB 3.49Å; E352-N359 PolarHBondContact OE2-ND2 3.01Å
353Y58.4Low61Low131 Ų13180.3 Ų80.351%0.51439%0.387SS..  trans-87.6-2.5-178.4-63.9-76.7000114.5F272 N351F272-Y353 VanDerWaalsContact CZ-C 3.47Å; N351-Y353 HydrophobicContact CB-CE2 4.05Å; N351-Y353 WeakPolarHBondContact O-CD2 3.31Å; N351-Y353 VanDerWaalsContact O-CE2 3.23Å; N351-Y353 WeakPolarHBondContact O-CE2 3.47Å; N351-Y353 PolarHBondContact O-N 3.2Å; N351-Y353 VanDerWaalsContact O-N 3.16Å; N351-Y353 PolarHBondContact OD1-OH 2.88Å
354T71.7Confident63.8Low83 Ų8375.6 Ų75.651%0.50937%0.365SS..SBendtrans-145.3140.4-173.758.20000112.1N356 N359T354-N356 PolarHBondContact O-ND2 3.22Å; T354-N359 PolarHBondContact O-ND2 3.19Å
355F80.3Confident66.5Low24 Ų2470 Ų7011%0.10534%0.341CS..  trans-69125.4160.7-162.4-84.7000108.7Y129 E268 L271 F272 R360 I363Y129-F355 HydrophobicContact CE1-CZ 4.5Å; Y129-F355 HydrophobicContact CE2-CE1 4.45Å; Y129-F355 AromaticContact CZ-CE1 3.98Å; E268-F355 HydrophobicContact CB-CB 4.19Å; E268-F355 HydrophobicContact CB-CD1 3.69Å; E268-F355 HydrophobicContact CB-CE1 4.08Å; E268-F355 HydrophobicContact CB-CG 3.93Å; E268-F355 VanDerWaalsContact CD-CD1 3.42Å; E268-F355 HydrophobicContact CG-CD1 3.57Å; E268-F355 HydrophobicContact CG-CE1 3.55Å; E268-F355 HydrophobicContact CG-CG 4.3Å; E268-F355 HydrophobicContact CG-CZ 4.27Å; E268-F355 WeakPolarHBondContact OE1-CE1 3.43Å; L271-F355 HydrophobicContact CB-CE2 4.12Å; F272-F355 HydrophobicContact CB-CB 4.16Å; F272-F355 HydrophobicContact CB-CD2 4.04Å; F272-F355 HydrophobicContact CG-CB 4.37Å; F355-R360 HydrophobicContact CD1-CB 4.49Å; F355-R360 HydrophobicContact CE1-CB 3.88Å; F355-R360 HydrophobicContact CE1-CG 3.61Å; F355-R360 HydrophobicContact CZ-CB 4.08Å; F355-R360 HydrophobicContact CZ-CG 3.61Å; F355-I363 HydrophobicContact CD2-CD1 3.69Å; F355-I363 HydrophobicContact CD2-CG2 4.1Å; F355-I363 HydrophobicContact CE2-CB 4.25Å; F355-I363 HydrophobicContact CE2-CD1 4.21Å; F355-I363 HydrophobicContact CE2-CG2 3.79Å; F355-I363 HydrophobicContact CG-CD1 4.37Å
356N80.1Confident68.8Low57 Ų5767.5 Ų67.531%0.30533%0.329SS..  trans-150.3170.1-176.46763.3000111.2T354 R358 N359 R360T354-N356 PolarHBondContact O-ND2 3.22Å; N356-R358 PolarHBondContact O-N 3.18Å; N356-R358 VanDerWaalsContact O-N 3.11Å; N356-R358 WeakPolarHBondContact OD1-CA 3.34Å; N356-R358 VanDerWaalsContact OD1-CB 3.27Å; N356-R358 WeakPolarHBondContact OD1-CB 3.36Å; N356-R358 PolarHBondContact OD1-N 3.38Å; N356-N359 VanDerWaalsContact CG-OD1 3.25Å; N356-N359 PolarHBondContact N-OD1 3.46Å; N356-N359 PolarHBondContact ND2-OD1 3.42Å; N356-N359 PolarHBondContact O-N 3.22Å; N356-N359 PolarHBondContact O-OD1 3.35Å; N356-N359 PolarHBondContact OD1-N 3.09Å; N356-N359 VanDerWaalsContact OD1-N 3.13Å; N356-N359 PolarHBondContact OD1-OD1 2.99Å; N356-R360 WeakPolarHBondContact O-CB 3.26Å; N356-R360 PolarHBondContact O-N 2.98Å
357S78Confident71.5Confident112 Ų11265.4 Ų65.478%0.78331%0.314SS*.THydrogen-bonded Turntrans-60.9-23.2-175.953.70000114.8
358R77.9Confident74.1Confident229 Ų22960.3 Ų60.386%0.86429%0.287SS*.THydrogen-bonded Turntrans-81.8-41.8-179.6-173.4-179.9-179.1169.30.6112.2N356N356-R358 PolarHBondContact O-N 3.18Å; N356-R358 VanDerWaalsContact O-N 3.11Å; N356-R358 WeakPolarHBondContact OD1-CA 3.34Å; N356-R358 VanDerWaalsContact OD1-CB 3.27Å; N356-R358 WeakPolarHBondContact OD1-CB 3.36Å; N356-R358 PolarHBondContact OD1-N 3.38Å
359N82.7Confident76.5Confident3 Ų355 Ų552%0.01627%0.269CS..THydrogen-bonded Turntrans-97.8-15.4-177.768.2-4.7000114.8E352 T354 N356 M361 H362 I363E352-N359 WeakPolarHBondContact OE1-CB 3.33Å; E352-N359 WeakPolarHBondContact OE2-CB 3.49Å; E352-N359 PolarHBondContact OE2-ND2 3.01Å; T354-N359 PolarHBondContact O-ND2 3.19Å; N356-N359 VanDerWaalsContact CG-OD1 3.25Å; N356-N359 PolarHBondContact N-OD1 3.46Å; N356-N359 PolarHBondContact ND2-OD1 3.42Å; N356-N359 PolarHBondContact O-N 3.22Å; N356-N359 PolarHBondContact O-OD1 3.35Å; N356-N359 PolarHBondContact OD1-N 3.09Å; N356-N359 VanDerWaalsContact OD1-N 3.13Å; N356-N359 PolarHBondContact OD1-OD1 2.99Å; N359-M361 VanDerWaalsContact C-N 3.29Å; N359-M361 PolarHBondContact O-N 2.87Å; N359-M361 VanDerWaalsContact O-N 3.13Å; N359-H362 WeakPolarHBondContact O-CA 3.43Å; N359-H362 WeakPolarHBondContact O-CB 3.25Å; N359-H362 PolarHBondContact O-N 3.13Å; N359-I363 HydrophobicContact CB-CD1 4.18Å; N359-I363 PolarHBondContact O-N 2.95Å
360R87.8Confident78.5Confident17 Ų1752.7 Ų52.76%0.06426%0.259CS..Hα-helixtrans-43.2-49.9178.7172.7178.271.8162.35.2113.6Y129 F355 N356 I363 L364 T486Y129-R360 WeakPolarHBondContact OH-CD 3.2Å; F355-R360 HydrophobicContact CD1-CB 4.49Å; F355-R360 HydrophobicContact CE1-CB 3.88Å; F355-R360 HydrophobicContact CE1-CG 3.61Å; F355-R360 HydrophobicContact CZ-CB 4.08Å; F355-R360 HydrophobicContact CZ-CG 3.61Å; N356-R360 WeakPolarHBondContact O-CB 3.26Å; N356-R360 PolarHBondContact O-N 2.98Å; R360-I363 PolarHBondContact O-N 2.63Å; R360-L364 HydrophobicContact CG-CD1 4.24Å; R360-L364 HydrophobicContact CG-CG 4.48Å; R360-L364 WeakPolarHBondContact O-CB 3.46Å; R360-L364 VanDerWaalsContact O-CG 3.31Å; R360-L364 WeakPolarHBondContact O-CG 3.27Å; R360-L364 PolarHBondContact O-N 3.33Å; R360-T486 PolarHBondContact NH2-O 3.33Å
361M90.3Very high80.6Confident23 Ų2348.8 Ų48.811%0.11324%0.238CC..Hα-helixtrans-68.3-34.5179.5-72.9-59.598.500113.1F130 N359 L364 T365 G487 L488F130-M361 HydrophobicContact CE1-CE 4.21Å; F130-M361 HydrophobicContact CZ-CE 3.94Å; N359-M361 VanDerWaalsContact C-N 3.29Å; N359-M361 PolarHBondContact O-N 2.87Å; N359-M361 VanDerWaalsContact O-N 3.13Å; M361-L364 HydrophobicContact CE-CD1 3.79Å; M361-T365 VanDerWaalsContact O-CB 3.27Å; M361-T365 WeakPolarHBondContact O-CB 3.42Å; M361-T365 PolarHBondContact O-N 3.15Å; M361-T365 PolarHBondContact O-OG1 3.44Å; M361-G487 WeakPolarHBondContact CG-O 3.06Å; M361-G487 VanDerWaalsContact SD-O 3.38Å; M361-L488 HydrophobicContact SD-CD1 4.21Å
362H85.2Confident82.6Confident79 Ų7944.9 Ų44.937%0.36622%0.217SC..Hα-helixtrans-64.5-47175.3179.357.8000110.8Y275 N359 T365 A366Y275-H362 PolarHBondContact OH-CD2 2.9Å; Y275-H362 PolarHBondContact OH-NE2 3.37Å; N359-H362 WeakPolarHBondContact O-CA 3.43Å; N359-H362 WeakPolarHBondContact O-CB 3.25Å; N359-H362 PolarHBondContact O-N 3.13Å; H362-T365 PolarHBondContact O-N 2.85Å; H362-A366 PolarHBondContact O-N 3.35Å
363I87.3Confident83.9Confident0 Ų042.6 Ų42.60%021%0.208CC..Hα-helixtrans-58.6-53.6176-66.8163.5000110.7F272 Y275 F355 N359 R360 T365 A366 L367F272-I363 HydrophobicContact CD2-CD1 3.91Å; F272-I363 HydrophobicContact CE2-CD1 4.46Å; Y275-I363 HydrophobicContact CD1-CG1 4.01Å; Y275-I363 HydrophobicContact CD1-CG2 4.47Å; Y275-I363 HydrophobicContact CD2-CB 4.32Å; Y275-I363 HydrophobicContact CD2-CG1 4.3Å; Y275-I363 HydrophobicContact CD2-CG2 4.16Å; Y275-I363 HydrophobicContact CE1-CG1 4.07Å; Y275-I363 HydrophobicContact CE2-CG1 4.34Å; Y275-I363 HydrophobicContact CG-CB 4.36Å; Y275-I363 HydrophobicContact CG-CG1 4.13Å; Y275-I363 HydrophobicContact CG-CG2 3.9Å; F355-I363 HydrophobicContact CD2-CD1 3.69Å; F355-I363 HydrophobicContact CD2-CG2 4.1Å; F355-I363 HydrophobicContact CE2-CB 4.25Å; F355-I363 HydrophobicContact CE2-CD1 4.21Å; F355-I363 HydrophobicContact CE2-CG2 3.79Å; F355-I363 HydrophobicContact CG-CD1 4.37Å; N359-I363 HydrophobicContact CB-CD1 4.18Å; N359-I363 PolarHBondContact O-N 2.95Å; R360-I363 PolarHBondContact O-N 2.63Å; I363-T365 VanDerWaalsContact C-N 3.31Å; I363-T365 PolarHBondContact O-N 3.38Å; I363-A366 PolarHBondContact O-N 3.09Å; I363-L367 HydrophobicContact CG2-CD1 3.95Å; I363-L367 WeakPolarHBondContact O-CG 3.49Å; I363-L367 PolarHBondContact O-N 2.84Å
364L92.6Very high84.7Confident0 Ų039.1 Ų39.10%019%0.194CC..Hα-helixtrans-63.8-33.1179.9-68-171000113.1I126 Y129 F130 L271 R360 M361 L367 M368 F492I126-L364 HydrophobicContact CD1-CD2 4.36Å; I126-L364 HydrophobicContact CG1-CD2 4.18Å; Y129-L364 HydrophobicContact CD1-CD1 4.38Å; Y129-L364 HydrophobicContact CE1-CD1 4.23Å; F130-L364 HydrophobicContact CE1-CD1 4.4Å; F130-L364 HydrophobicContact CE2-CD1 3.71Å; F130-L364 HydrophobicContact CZ-CD1 3.52Å; L271-L364 HydrophobicContact CD1-CD2 3.97Å; L271-L364 HydrophobicContact CD2-CD2 4.24Å; R360-L364 HydrophobicContact CG-CD1 4.24Å; R360-L364 HydrophobicContact CG-CG 4.48Å; R360-L364 WeakPolarHBondContact O-CB 3.46Å; R360-L364 VanDerWaalsContact O-CG 3.31Å; R360-L364 WeakPolarHBondContact O-CG 3.27Å; R360-L364 PolarHBondContact O-N 3.33Å; M361-L364 HydrophobicContact CE-CD1 3.79Å; L364-L367 HydrophobicContact CD2-CD1 4.41Å; L364-M368 WeakPolarHBondContact O-CB 3.44Å; L364-M368 WeakPolarHBondContact O-CG 3.28Å; L364-M368 PolarHBondContact O-N 3.13Å; L364-F492 HydrophobicContact CB-CD2 3.9Å; L364-F492 HydrophobicContact CB-CE2 3.71Å
365T89.6Confident84.5Confident22 Ų2235.6 Ų35.614%0.13517%0.173CC..Hα-helixtrans-67.8-44.4175-55.40000111.1M361 H362 I363 L367 M368 K369 N491 F492 E495M361-T365 VanDerWaalsContact O-CB 3.27Å; M361-T365 WeakPolarHBondContact O-CB 3.42Å; M361-T365 PolarHBondContact O-N 3.15Å; M361-T365 PolarHBondContact O-OG1 3.44Å; H362-T365 PolarHBondContact O-N 2.85Å; I363-T365 VanDerWaalsContact C-N 3.31Å; I363-T365 PolarHBondContact O-N 3.38Å; T365-L367 VanDerWaalsContact C-N 3.33Å; T365-L367 PolarHBondContact O-N 2.96Å; T365-M368 PolarHBondContact O-N 3.44Å; T365-K369 WeakPolarHBondContact O-CB 3.4Å; T365-K369 PolarHBondContact O-N 3.16Å; T365-N491 HydrophobicContact CG2-CB 4.15Å; T365-F492 WeakPolarHBondContact OG1-CB 3.35Å; T365-E495 HydrophobicContact CG2-CG 4.08Å
366A87.1Confident83.9Confident12 Ų1235.5 Ų35.510%0.09918%0.175CC..Hα-helixtrans-63.6-38.6177.300000112.3Y275 Y278 H362 I363 K369 E370Y275-A366 HydrophobicContact CD2-CB 3.77Å; Y275-A366 HydrophobicContact CE2-CB 3.6Å; Y278-A366 HydrophobicContact CE1-CB 4.21Å; H362-A366 PolarHBondContact O-N 3.35Å; I363-A366 PolarHBondContact O-N 3.09Å; A366-K369 PolarHBondContact O-N 2.94Å; A366-E370 PolarHBondContact O-N 3.4Å
367L91.5Very high83.4Confident0 Ų036.1 Ų36.10%018%0.184CC..Hα-helixtrans-66.6-43.5174.3-71.6175.1000112.5L122 L271 I274 I363 L364 T365 K369 E370 Y371L122-L367 HydrophobicContact CD2-CB 4.11Å; L122-L367 WeakPolarHBondContact CD2-O 3.38Å; L271-L367 HydrophobicContact CB-CD1 3.99Å; L271-L367 HydrophobicContact CD2-CD1 3.77Å; L271-L367 WeakPolarHBondContact O-CD1 3.32Å; I274-L367 HydrophobicContact CB-CD2 4.14Å; I274-L367 HydrophobicContact CG2-CD2 3.64Å; I363-L367 HydrophobicContact CG2-CD1 3.95Å; I363-L367 WeakPolarHBondContact O-CG 3.49Å; I363-L367 PolarHBondContact O-N 2.84Å; L364-L367 HydrophobicContact CD2-CD1 4.41Å; T365-L367 VanDerWaalsContact C-N 3.33Å; T365-L367 PolarHBondContact O-N 2.96Å; L367-K369 VanDerWaalsContact C-N 3.29Å; L367-K369 PolarHBondContact O-N 3.16Å; L367-E370 WeakPolarHBondContact O-CB 3.32Å; L367-E370 PolarHBondContact O-N 3.5Å; L367-Y371 PolarHBondContact O-N 3.44Å; L367-Y371 VanDerWaalsContact O-N 3.09Å
368M92.2Very high83.1Confident0 Ų031.9 Ų31.90%015%0.154CC..Hα-helixtrans-67.3-29.7173.3-76.1-55-4700112.9I126 L364 T365 E370 Y371 S372 L387 L390 F492 E495 I496I126-M368 HydrophobicContact CD1-CG 4.08Å; I126-M368 HydrophobicContact CD1-SD 3.71Å; L364-M368 WeakPolarHBondContact O-CB 3.44Å; L364-M368 WeakPolarHBondContact O-CG 3.28Å; L364-M368 PolarHBondContact O-N 3.13Å; T365-M368 PolarHBondContact O-N 3.44Å; M368-E370 VanDerWaalsContact C-N 3.34Å; M368-Y371 HydrophobicContact CE-CD1 3.77Å; M368-Y371 HydrophobicContact CE-CG 4.22Å; M368-Y371 PolarHBondContact O-N 3.43Å; M368-S372 WeakPolarHBondContact O-CB 3.49Å; M368-S372 PolarHBondContact O-N 2.74Å; M368-S372 PolarHBondContact O-OG 3.32Å; M368-L387 HydrophobicContact CE-CD1 3.84Å; M368-L390 HydrophobicContact SD-CD2 4.31Å; M368-F492 HydrophobicContact CB-CD2 4.44Å; M368-F492 HydrophobicContact CB-CE2 4.29Å; M368-F492 HydrophobicContact CG-CD2 3.98Å; M368-F492 HydrophobicContact CG-CE2 3.37Å; M368-F492 HydrophobicContact CG-CZ 4.09Å; M368-E495 HydrophobicContact CB-CB 3.93Å; M368-I496 HydrophobicContact CE-CG1 4.14Å
369K87.2Confident83.1Confident63 Ų6321.4 Ų21.427%0.27412%0.116SC..Hα-helixtrans-68.3-32.3171.4-175.6173.9171.9175.60112.5T365 A366 L367 S372 A373 E495 S705 F706T365-K369 WeakPolarHBondContact O-CB 3.4Å; T365-K369 PolarHBondContact O-N 3.16Å; A366-K369 PolarHBondContact O-N 2.94Å; L367-K369 VanDerWaalsContact C-N 3.29Å; L367-K369 PolarHBondContact O-N 3.16Å; K369-S372 WeakPolarHBondContact CA-OG 3.35Å; K369-S372 PolarHBondContact O-OG 2.77Å; K369-A373 PolarHBondContact O-N 3.31Å; K369-E495 HydrophobicContact CB-CG 4.18Å; K369-S705 PolarHBondContact NZ-OG 3.49Å; K369-F706 HydrophobicContact CG-CE2 3.97Å
370E86.6Confident83Confident14 Ų1422 Ų227%0.06512%0.119CC..Hα-helixtrans-66.2-43.9170.2-177.3168.3-153.200111.2Y86 I119 Y278 A366 L367 M368 A373 Y374Y86-E370 WeakPolarHBondContact CE2-OE1 3.43Å; Y86-E370 VanDerWaalsContact CZ-OE1 3.3Å; Y86-E370 PolarHBondContact OH-OE1 3.31Å; Y86-E370 PolarHBondContact OH-OE2 3.19Å; I119-E370 HydrophobicContact CD1-CG 4.28Å; Y278-E370 HydrophobicContact CD2-CB 3.99Å; Y278-E370 HydrophobicContact CD2-CG 3.94Å; Y278-E370 VanDerWaalsContact CD2-OE2 3.29Å; Y278-E370 WeakPolarHBondContact CD2-OE2 3.45Å; Y278-E370 HydrophobicContact CE2-CB 3.68Å; Y278-E370 HydrophobicContact CE2-CG 3.88Å; A366-E370 PolarHBondContact O-N 3.4Å; L367-E370 WeakPolarHBondContact O-CB 3.32Å; L367-E370 PolarHBondContact O-N 3.5Å; M368-E370 VanDerWaalsContact C-N 3.34Å; E370-A373 WeakPolarHBondContact O-CB 3.18Å; E370-A373 PolarHBondContact O-N 2.85Å; E370-Y374 VanDerWaalsContact O-CD2 3.25Å; E370-Y374 WeakPolarHBondContact O-CD2 3.47Å; E370-Y374 WeakPolarHBondContact O-CE2 3.48Å
371Y89.8Confident82.8Confident10 Ų1025.7 Ų25.74%0.03914%0.136CC..Hα-helixtrans-62.3-46.2174.8-179.2-91.1000112.7I119 P123 L367 M368 A373 Y374 V379 S383 L387I119-Y371 HydrophobicContact CG2-CD2 4.02Å; I119-Y371 VanDerWaalsContact O-CD2 3.32Å; I119-Y371 WeakPolarHBondContact O-CD2 3.34Å; P123-Y371 HydrophobicContact CG-CD1 4.39Å; P123-Y371 HydrophobicContact CG-CD2 3.73Å; P123-Y371 HydrophobicContact CG-CE1 4.1Å; P123-Y371 HydrophobicContact CG-CE2 3.37Å; P123-Y371 HydrophobicContact CG-CG 4.23Å; L367-Y371 PolarHBondContact O-N 3.44Å; L367-Y371 VanDerWaalsContact O-N 3.09Å; M368-Y371 HydrophobicContact CE-CD1 3.77Å; M368-Y371 HydrophobicContact CE-CG 4.22Å; M368-Y371 PolarHBondContact O-N 3.43Å; Y371-A373 PolarHBondContact O-N 3.41Å; Y371-A373 VanDerWaalsContact O-N 3.09Å; Y371-Y374 PolarHBondContact O-N 3.45Å; Y371-Y374 VanDerWaalsContact O-N 3.16Å; Y371-V379 HydrophobicContact CE2-CG1 4.24Å; Y371-S383 PolarHBondContact OH-OG 2.87Å; Y371-L387 HydrophobicContact CE1-CD1 4.08Å; Y371-L387 HydrophobicContact CE1-CD2 4.1Å
372S85.3Confident82.5Confident7 Ų726.9 Ų26.95%0.04914%0.141CC..Hα-helixtrans-63.2-17.5-179.171.50000113.3M368 K369 Y374 E495 S499 F706M368-S372 WeakPolarHBondContact O-CB 3.49Å; M368-S372 PolarHBondContact O-N 2.74Å; M368-S372 PolarHBondContact O-OG 3.32Å; K369-S372 WeakPolarHBondContact CA-OG 3.35Å; K369-S372 PolarHBondContact O-OG 2.77Å; S372-Y374 PolarHBondContact O-N 2.73Å; S372-E495 PolarHBondContact OG-OE2 2.66Å; S372-S499 WeakPolarHBondContact CB-OG 3.42Å; S372-F706 WeakPolarHBondContact O-CE1 3.34Å; S372-F706 WeakPolarHBondContact OG-CZ 3.34Å
373A79.6Confident82.6Confident8 Ų823.1 Ų23.17%0.06612%0.124CC..THydrogen-bonded Turntrans-76.4-0.2176.900000115.1K369 E370 Y371 F706 K713K369-A373 PolarHBondContact O-N 3.31Å; E370-A373 WeakPolarHBondContact O-CB 3.18Å; E370-A373 PolarHBondContact O-N 2.85Å; Y371-A373 PolarHBondContact O-N 3.41Å; Y371-A373 VanDerWaalsContact O-N 3.09Å; A373-F706 HydrophobicContact CB-CZ 3.88Å; A373-K713 VanDerWaalsContact O-CD 3.25Å; A373-K713 WeakPolarHBondContact O-CD 3.42Å
374Y75.8Confident82.6Confident58 Ų5824.6 Ų24.623%0.22713%0.129CC..SBendtrans-105.9148.4176.9-70.3-97.9000111.7L116 I119 E370 Y371 S372L116-Y374 HydrophobicContact CD1-CD1 3.71Å; L116-Y374 HydrophobicContact CD1-CE1 3.94Å; L116-Y374 HydrophobicContact CD1-CG 4.39Å; I119-Y374 HydrophobicContact CD1-CD2 4.49Å; I119-Y374 HydrophobicContact CD1-CE1 4.44Å; I119-Y374 HydrophobicContact CD1-CE2 3.55Å; I119-Y374 VanDerWaalsContact CD1-OH 3.25Å; I119-Y374 WeakPolarHBondContact CD1-OH 3.34Å; I119-Y374 HydrophobicContact CG2-CD2 3.99Å; I119-Y374 HydrophobicContact CG2-CE2 4.04Å; E370-Y374 VanDerWaalsContact O-CD2 3.25Å; E370-Y374 WeakPolarHBondContact O-CD2 3.47Å; E370-Y374 WeakPolarHBondContact O-CE2 3.48Å; Y371-Y374 PolarHBondContact O-N 3.45Å; Y371-Y374 VanDerWaalsContact O-N 3.16Å; S372-Y374 PolarHBondContact O-N 2.73Å
375S68.1Low82.4Confident9 Ų925 Ų256%0.06313%0.131CC..  trans-67.9147173.3-179.40000110.9S377 C378 V379S375-S377 WeakPolarHBondContact CB-OG 3.42Å; S375-S377 PolarHBondContact O-N 3.2Å; S375-S377 PolarHBondContact OG-N 2.72Å; S375-S377 VanDerWaalsContact OG-N 3.09Å; S375-S377 PolarHBondContact OG-OG 2.81Å; S375-C378 WeakPolarHBondContact O-CA 3.37Å; S375-C378 WeakPolarHBondContact O-CB 3.35Å; S375-C378 PolarHBondContact O-N 3.32Å; S375-V379 PolarHBondContact O-N 3.24Å
376P67.6Low82.3Confident22 Ų2224 Ų2414%0.14313%0.125CC..G310 helixtrans-54.1-29.5163.9-14.220000113.7C378 V379 R384 P502P376-C378 PolarHBondContact O-N 3.23Å; P376-V379 PolarHBondContact O-N 2.72Å; P376-R384 PolarHBondContact O-NH1 3.09Å; P376-P502 HydrophobicContact CG-CB 3.44Å; P376-P502 VanDerWaalsContact CG-CB 3.44Å; P376-P502 HydrophobicContact CG-CG 3.55Å
377S69.2Low82.6Confident70 Ų7023.4 Ų23.449%0.4912%0.121SC..G310 helixtrans-69.6-21.7175.362.70000112.6S375 D718S375-S377 WeakPolarHBondContact CB-OG 3.42Å; S375-S377 PolarHBondContact O-N 3.2Å; S375-S377 PolarHBondContact OG-N 2.72Å; S375-S377 VanDerWaalsContact OG-N 3.09Å; S375-S377 PolarHBondContact OG-OG 2.81Å; S377-D718 WeakPolarHBondContact CB-OD1 3.5Å; S377-D718 PolarHBondContact OG-OD1 3.16Å
378C71.3Confident82.6Confident23 Ų2323.4 Ų23.416%0.15512%0.121CC..G310 helixtrans-93.1-7.5178.4-63.40000113.7L116 S375 P376L116-C378 WeakPolarHBondContact CD2-O 3.35Å; S375-C378 WeakPolarHBondContact O-CA 3.37Å; S375-C378 WeakPolarHBondContact O-CB 3.35Å; S375-C378 PolarHBondContact O-N 3.32Å; P376-C378 PolarHBondContact O-N 3.23Å
379V78Confident82.5Confident10 Ų1024.8 Ų24.86%0.06113%0.127CC..SBendtrans-115.1138179.8-61.60000111.3E120 Y371 S375 P376 R384E120-V379 HydrophobicContact CG-CB 4.25Å; E120-V379 HydrophobicContact CG-CG1 4.06Å; E120-V379 VanDerWaalsContact OE1-CA 3.24Å; E120-V379 WeakPolarHBondContact OE1-CA 3.26Å; Y371-V379 HydrophobicContact CE2-CG1 4.24Å; S375-V379 PolarHBondContact O-N 3.24Å; P376-V379 PolarHBondContact O-N 2.72Å; V379-R384 HydrophobicContact CG2-CG 3.94Å; V379-R384 PolarHBondContact O-NH1 3.35Å
380S80.9Confident82.7Confident14 Ų1421.8 Ų21.810%0.09811%0.114CC..  trans-54.4150.3178.653.80000113.4Y43 E120 Q382 S383 R384Y43-S380 VanDerWaalsContact OH-CB 3.28Å; Y43-S380 WeakPolarHBondContact OH-CB 3.42Å; E120-S380 PolarHBondContact OE1-N 3.23Å; S380-Q382 PolarHBondContact O-N 3.12Å; S380-S383 WeakPolarHBondContact O-CB 3.36Å; S380-S383 PolarHBondContact O-N 2.96Å; S380-S383 WeakPolarHBondContact OG-CB 3.41Å; S380-S383 PolarHBondContact OG-N 3.48Å; S380-R384 PolarHBondContact O-N 3.05Å; S380-R384 VanDerWaalsContact O-N 3.1Å
381K84.1Confident83Confident96 Ų9621.1 Ų21.142%0.41711%0.111SC..Hα-helixtrans-41.6-48165.7-176.5172.3179.8157.20112.2R384 I385 E507 H508K381-R384 WeakPolarHBondContact O-CB 3.45Å; K381-R384 PolarHBondContact O-N 3.41Å; K381-I385 HydrophobicContact CG-CD1 4.48Å; K381-I385 WeakPolarHBondContact O-CG1 3.38Å; K381-I385 PolarHBondContact O-N 3.42Å; K381-I385 VanDerWaalsContact O-N 3.08Å; K381-E507 WeakPolarHBondContact CD-OE1 3.03Å; K381-E507 WeakPolarHBondContact CE-OE2 3.44Å; K381-E507 WeakPolarHBondContact CG-OE1 3.29Å; K381-E507 IonicContact NZ-OE1 2.58Å; K381-E507 IonicContact NZ-OE2 2.84Å; K381-E507 PolarHBondContact NZ-OE2 2.89Å; K381-H508 WeakPolarHBondContact CG-NE2 3.4Å
382Q83.4Confident83Confident47 Ų4722.6 Ų22.622%0.2212%0.122CC..Hα-helixtrans-65.2-43.8-178.8-177.46028.500112.8E52 S380 R384 I385 S386E52-Q382 HydrophobicContact CG-CG 4.29Å; E52-Q382 VanDerWaalsContact OE2-CG 3.24Å; E52-Q382 WeakPolarHBondContact OE2-CG 3.47Å; E52-Q382 PolarHBondContact OE2-NE2 3.32Å; S380-Q382 PolarHBondContact O-N 3.12Å; Q382-R384 VanDerWaalsContact C-N 3.3Å; Q382-R384 PolarHBondContact O-N 3.39Å; Q382-I385 WeakPolarHBondContact O-CB 3.49Å; Q382-I385 PolarHBondContact O-N 2.92Å; Q382-I385 VanDerWaalsContact O-N 3.15Å; Q382-S386 PolarHBondContact O-N 3.22Å; Q382-S386 PolarHBondContact O-OG 3.29Å
383S87Confident83.1Confident0 Ų023.2 Ų23.20%012%0.124CC..Hα-helixtrans-59-40.1173.6-171.40000112.2E120 Y371 S380 S386 L387E120-S383 WeakPolarHBondContact O-CB 3.41Å; E120-S383 PolarHBondContact O-OG 2.86Å; Y371-S383 PolarHBondContact OH-OG 2.87Å; S380-S383 WeakPolarHBondContact O-CB 3.36Å; S380-S383 PolarHBondContact O-N 2.96Å; S380-S383 WeakPolarHBondContact OG-CB 3.41Å; S380-S383 PolarHBondContact OG-N 3.48Å; S383-S386 PolarHBondContact O-N 2.93Å; S383-L387 PolarHBondContact O-N 3.31Å
384R88.1Confident83.6Confident31 Ų3122.9 Ų22.912%0.11712%0.121CC..Hα-helixtrans-61.4-43.7173.7-60.1-172.6-65.1-107.28.9112.2P376 V379 S380 K381 Q382 S386 L387 C388 V503 E507P376-R384 PolarHBondContact O-NH1 3.09Å; V379-R384 HydrophobicContact CG2-CG 3.94Å; V379-R384 PolarHBondContact O-NH1 3.35Å; S380-R384 PolarHBondContact O-N 3.05Å; S380-R384 VanDerWaalsContact O-N 3.1Å; K381-R384 WeakPolarHBondContact O-CB 3.45Å; K381-R384 PolarHBondContact O-N 3.41Å; Q382-R384 VanDerWaalsContact C-N 3.3Å; Q382-R384 PolarHBondContact O-N 3.39Å; R384-S386 VanDerWaalsContact C-N 3.33Å; R384-S386 PolarHBondContact O-N 2.95Å; R384-L387 WeakPolarHBondContact O-CB 3.44Å; R384-L387 PolarHBondContact O-N 3.12Å; R384-C388 PolarHBondContact O-N 3.16Å; R384-C388 VanDerWaalsContact O-N 3.1Å; R384-C388 PolarHBondContact O-SG 2.64Å; R384-C388 VanDerWaalsContact O-SG 3.35Å; R384-V503 HydrophobicContact CB-CG1 4.16Å; R384-V503 HydrophobicContact CB-CG2 4.35Å; R384-V503 HydrophobicContact CG-CG2 4.23Å; R384-E507 IonicContact NH2-OE1 2.64Å; R384-E507 PolarHBondContact NH2-OE1 2.91Å
385I87.9Confident84.1Confident8 Ų820.8 Ų20.84%0.04111%0.114CC..Hα-helixtrans-60.9-43.2174.9-64.6168.6000110.7K381 Q382 C388 K389 H508 L511K381-I385 HydrophobicContact CG-CD1 4.48Å; K381-I385 WeakPolarHBondContact O-CG1 3.38Å; K381-I385 PolarHBondContact O-N 3.42Å; K381-I385 VanDerWaalsContact O-N 3.08Å; Q382-I385 WeakPolarHBondContact O-CB 3.49Å; Q382-I385 PolarHBondContact O-N 2.92Å; Q382-I385 VanDerWaalsContact O-N 3.15Å; I385-C388 WeakPolarHBondContact O-CB 3.32Å; I385-C388 PolarHBondContact O-N 3.06Å; I385-K389 HydrophobicContact CG2-CD 4.21Å; I385-K389 WeakPolarHBondContact O-CG 3.12Å; I385-K389 PolarHBondContact O-N 3.11Å; I385-H508 VanDerWaalsContact CG1-NE2 3.31Å; I385-H508 WeakPolarHBondContact CG1-NE2 3.27Å; I385-L511 HydrophobicContact CG1-CD1 4.43Å; I385-L511 HydrophobicContact CG2-CD1 4.42Å
386S88.6Confident84.6Confident1 Ų121.5 Ų21.51%0.00712%0.119CC..Hα-helixtrans-69.8-31.7-179.1-71.60000113.1E52 T124 Q382 S383 R384 K389 L390E52-S386 PolarHBondContact OE2-OG 3.3Å; T124-S386 WeakPolarHBondContact OG1-CB 3.41Å; T124-S386 PolarHBondContact OG1-OG 2.83Å; Q382-S386 PolarHBondContact O-N 3.22Å; Q382-S386 PolarHBondContact O-OG 3.29Å; S383-S386 PolarHBondContact O-N 2.93Å; R384-S386 VanDerWaalsContact C-N 3.33Å; R384-S386 PolarHBondContact O-N 2.95Å; S386-K389 PolarHBondContact O-N 2.98Å; S386-L390 WeakPolarHBondContact O-CB 3.38Å; S386-L390 PolarHBondContact O-N 3.08Å
387L92.5Very high84.8Confident0 Ų025.8 Ų25.80%014%0.135CC..Hα-helixtrans-61.5-44.4165.6-179.475.1000112.2P123 M368 Y371 S383 R384 L390 A391 I496 L500 V503P123-L387 HydrophobicContact CB-CB 4.29Å; M368-L387 HydrophobicContact CE-CD1 3.84Å; Y371-L387 HydrophobicContact CE1-CD1 4.08Å; Y371-L387 HydrophobicContact CE1-CD2 4.1Å; S383-L387 PolarHBondContact O-N 3.31Å; R384-L387 WeakPolarHBondContact O-CB 3.44Å; R384-L387 PolarHBondContact O-N 3.12Å; L387-L390 WeakPolarHBondContact O-CB 3.37Å; L387-L390 PolarHBondContact O-N 3.18Å; L387-A391 PolarHBondContact O-N 3.49Å; L387-I496 HydrophobicContact CD1-CG2 4.37Å; L387-L500 HydrophobicContact CD2-CD2 3.88Å; L387-L500 HydrophobicContact CD2-CG 4.13Å; L387-L500 HydrophobicContact CG-CD2 3.95Å; L387-L500 HydrophobicContact CG-CG 4.31Å; L387-V503 HydrophobicContact CD2-CG2 4.37Å
388C92.2Very high84.3Confident0 Ų024.2 Ų24.20%013%0.125CC..Hα-helixtrans-63.2-41.6175.9-63.60000111.9R384 I385 L390 A391 C392 L511R384-C388 PolarHBondContact O-N 3.16Å; R384-C388 VanDerWaalsContact O-N 3.1Å; R384-C388 PolarHBondContact O-SG 2.64Å; R384-C388 VanDerWaalsContact O-SG 3.35Å; I385-C388 WeakPolarHBondContact O-CB 3.32Å; I385-C388 PolarHBondContact O-N 3.06Å; C388-L390 VanDerWaalsContact C-N 3.33Å; C388-L390 PolarHBondContact O-N 3.34Å; C388-A391 PolarHBondContact O-N 2.92Å; C388-C392 PolarHBondContact O-N 3.1Å; C388-C392 PolarHBondContact O-SG 3.41Å; C388-C392 VanDerWaalsContact O-SG 3.37Å; C388-L511 HydrophobicContact CB-CB 3.99Å
389K89Confident83Confident30 Ų3027.1 Ų27.113%0.1314%0.138CC..Hα-helixtrans-58.7-42.7173-72.3168.9-179.5164.30111.9Y127 I385 S386 C392 L393 M405Y127-K389 HydrophobicContact CD2-CB 4.35Å; Y127-K389 HydrophobicContact CE2-CB 4.17Å; I385-K389 HydrophobicContact CG2-CD 4.21Å; I385-K389 WeakPolarHBondContact O-CG 3.12Å; I385-K389 PolarHBondContact O-N 3.11Å; S386-K389 PolarHBondContact O-N 2.98Å; K389-C392 PolarHBondContact O-N 3.04Å; K389-L393 PolarHBondContact O-N 2.66Å; K389-L393 VanDerWaalsContact O-N 3.09Å; K389-M405 HydrophobicContact CG-CE 3.68Å
390L91.7Very high81.1Confident0 Ų034.5 Ų34.50%017%0.172CC..Hα-helixtrans-61.4-42.2175.217960.7000112.3P123 I126 F130 M368 S386 L387 C388 L393 F394 I496P123-L390 HydrophobicContact CB-CD2 4.46Å; I126-L390 HydrophobicContact CB-CD2 4.31Å; I126-L390 HydrophobicContact CG2-CD1 3.95Å; I126-L390 HydrophobicContact CG2-CD2 3.89Å; F130-L390 HydrophobicContact CD2-CD1 4.12Å; M368-L390 HydrophobicContact SD-CD2 4.31Å; S386-L390 WeakPolarHBondContact O-CB 3.38Å; S386-L390 PolarHBondContact O-N 3.08Å; L387-L390 WeakPolarHBondContact O-CB 3.37Å; L387-L390 PolarHBondContact O-N 3.18Å; C388-L390 VanDerWaalsContact C-N 3.33Å; C388-L390 PolarHBondContact O-N 3.34Å; L390-L393 WeakPolarHBondContact O-CB 3.12Å; L390-L393 PolarHBondContact O-N 3.17Å; L390-F394 HydrophobicContact CD1-CE2 3.69Å; L390-F394 HydrophobicContact CD1-CZ 3.65Å; L390-F394 HydrophobicContact CG-CE2 3.96Å; L390-F394 HydrophobicContact CG-CZ 4.41Å; L390-F394 WeakPolarHBondContact O-CD2 3.41Å; L390-F394 WeakPolarHBondContact O-CE2 3.33Å; L390-I496 HydrophobicContact CD2-CD1 4.29Å; L390-I496 HydrophobicContact CG-CD1 4.32Å
391A92.4Very high79Confident0 Ų039.2 Ų39.20%019%0.189CC..Hα-helixtrans-64.7-43.5176.400000112.9L387 C388 L393 F394 I496 L500 L519L387-A391 PolarHBondContact O-N 3.49Å; C388-A391 PolarHBondContact O-N 2.92Å; A391-L393 VanDerWaalsContact C-N 3.29Å; A391-L393 PolarHBondContact O-N 3.08Å; A391-F394 PolarHBondContact O-N 2.88Å; A391-I496 HydrophobicContact CB-CG2 4.14Å; A391-L500 HydrophobicContact CB-CD1 3.69Å; A391-L500 HydrophobicContact CB-CD2 4.43Å; A391-L519 HydrophobicContact CB-CD1 4.04Å; A391-L519 HydrophobicContact CB-CG 4.17Å
392C90.3Very high76.6Confident40 Ų4038.6 Ų38.627%0.2720%0.196SC..Hα-helixtrans-63.4-31.8176.9-67.90000113.1C388 K389 F394 N395C388-C392 PolarHBondContact O-N 3.1Å; C388-C392 PolarHBondContact O-SG 3.41Å; C388-C392 VanDerWaalsContact O-SG 3.37Å; K389-C392 PolarHBondContact O-N 3.04Å; C392-F394 PolarHBondContact O-N 2.82Å; C392-F394 VanDerWaalsContact O-N 3.16Å; C392-N395 WeakPolarHBondContact O-CB 3.45Å; C392-N395 PolarHBondContact O-N 2.84Å
393L88Confident74.2Confident20 Ų2042.9 Ų42.911%0.10522%0.216CC..Hα-helixtrans-57.9-29179.1-174.363.2000113.4Y127 F130 I134 K389 L390 A391 N395 F482Y127-L393 HydrophobicContact CD2-CB 4.27Å; Y127-L393 HydrophobicContact CD2-CD2 3.82Å; Y127-L393 HydrophobicContact CE2-CB 4.1Å; Y127-L393 HydrophobicContact CE2-CD1 4.27Å; Y127-L393 HydrophobicContact CE2-CD2 4.03Å; Y127-L393 HydrophobicContact CE2-CG 4.36Å; F130-L393 HydrophobicContact CB-CD2 3.6Å; I134-L393 HydrophobicContact CD1-CD1 4.04Å; I134-L393 HydrophobicContact CD1-CD2 4.37Å; I134-L393 HydrophobicContact CD1-CG 4.29Å; K389-L393 PolarHBondContact O-N 2.66Å; K389-L393 VanDerWaalsContact O-N 3.09Å; L390-L393 WeakPolarHBondContact O-CB 3.12Å; L390-L393 PolarHBondContact O-N 3.17Å; A391-L393 VanDerWaalsContact C-N 3.29Å; A391-L393 PolarHBondContact O-N 3.08Å; L393-N395 VanDerWaalsContact C-N 3.34Å; L393-N395 PolarHBondContact O-N 2.71Å; L393-F482 HydrophobicContact CD1-CD1 4.29Å; L393-F482 HydrophobicContact CD1-CD2 4.49Å; L393-F482 HydrophobicContact CD1-CE1 4.48Å; L393-F482 HydrophobicContact CD1-CG 4.3Å
394F89.4Confident71.5Confident1 Ų149.7 Ų49.70%0.00425%0.253CS..THydrogen-bonded Turntrans-85.5-2.1-175.4-59.1-55.8000114.9F130 L390 A391 C392 V485 L488 F492 I496 L519 R522F130-F394 HydrophobicContact CD1-CE1 4.19Å; F130-F394 HydrophobicContact CD2-CE1 4Å; F130-F394 AromaticContact CD2-CZ 3.7Å; F130-F394 HydrophobicContact CD2-CZ 3.7Å; F130-F394 HydrophobicContact CE1-CE1 4.21Å; F130-F394 HydrophobicContact CE2-CE1 4.02Å; F130-F394 AromaticContact CE2-CZ 3.61Å; F130-F394 HydrophobicContact CE2-CZ 3.61Å; F130-F394 HydrophobicContact CG-CE1 4.09Å; F130-F394 HydrophobicContact CG-CZ 4.25Å; F130-F394 HydrophobicContact CZ-CE1 4.11Å; F130-F394 HydrophobicContact CZ-CZ 4.07Å; L390-F394 HydrophobicContact CD1-CE2 3.69Å; L390-F394 HydrophobicContact CD1-CZ 3.65Å; L390-F394 HydrophobicContact CG-CE2 3.96Å; L390-F394 HydrophobicContact CG-CZ 4.41Å; L390-F394 WeakPolarHBondContact O-CD2 3.41Å; L390-F394 WeakPolarHBondContact O-CE2 3.33Å; A391-F394 PolarHBondContact O-N 2.88Å; C392-F394 PolarHBondContact O-N 2.82Å; C392-F394 VanDerWaalsContact O-N 3.16Å; F394-V485 HydrophobicContact CD1-CB 4.28Å; F394-V485 HydrophobicContact CD1-CG2 4.03Å; F394-V485 HydrophobicContact CE1-CB 4.47Å; F394-V485 HydrophobicContact CE1-CG1 4.38Å; F394-V485 HydrophobicContact CE1-CG2 4.1Å; F394-L488 HydrophobicContact CB-CD2 4Å; F394-L488 HydrophobicContact CD1-CD1 4.1Å; F394-L488 HydrophobicContact CD1-CD2 3.62Å; F394-L488 HydrophobicContact CD2-CD2 4.35Å; F394-L488 HydrophobicContact CE1-CD1 3.8Å; F394-L488 HydrophobicContact CE1-CD2 4.2Å; F394-L488 HydrophobicContact CG-CD2 3.72Å; F394-L488 HydrophobicContact CZ-CD1 4.11Å; F394-F492 AromaticContact CE2-CE1 3.77Å; F394-F492 HydrophobicContact CE2-CE1 3.77Å; F394-F492 AromaticContact CZ-CE1 3.68Å; F394-F492 HydrophobicContact CZ-CE1 3.68Å; F394-F492 HydrophobicContact CZ-CZ 4.34Å; F394-I496 HydrophobicContact CD2-CD1 4.36Å; F394-I496 HydrophobicContact CE2-CD1 3.76Å; F394-L519 HydrophobicContact CB-CD2 4.23Å; F394-L519 HydrophobicContact CD2-CD2 4.17Å; F394-R522 PolarHBondContact O-NH1 3.22Å
395N86.5Confident69Low14 Ų1451.2 Ų51.28%0.07526%0.262CS..  trans-58.2120.7177.1-165.5-41.2000110.8C392 L393 F397 S518C392-N395 WeakPolarHBondContact O-CB 3.45Å; C392-N395 PolarHBondContact O-N 2.84Å; L393-N395 VanDerWaalsContact C-N 3.34Å; L393-N395 PolarHBondContact O-N 2.71Å; N395-F397 PolarHBondContact O-N 2.72Å; N395-F397 PolarHBondContact OD1-N 2.79Å; N395-S518 PolarHBondContact ND2-OG 2.98Å; N395-S518 VanDerWaalsContact ND2-OG 3.11Å
396P78.5Confident66.1Low25 Ų2554 Ų5416%0.16228%0.281CS..THydrogen-bonded Turntrans-70.9-12.7-178.229.8-35.2000113.5A521 Y525P396-A521 HydrophobicContact CG-CB 4.45Å; P396-Y525 HydrophobicContact CB-CD2 4.16Å; P396-Y525 HydrophobicContact CB-CG 4.24Å; P396-Y525 HydrophobicContact CG-CD2 4.35Å; P396-Y525 HydrophobicContact CG-CG 4.3Å
397F72.6Confident63.6Low111 Ų11161.1 Ų61.149%0.48732%0.318SS..THydrogen-bonded Turntrans-11127.8-174.8-50.3-63000113.3N395 N399 A521 Y525N395-F397 PolarHBondContact O-N 2.72Å; N395-F397 PolarHBondContact OD1-N 2.79Å; F397-N399 PolarHBondContact O-N 3.08Å; F397-A521 HydrophobicContact CD2-CB 4.08Å; F397-A521 HydrophobicContact CE2-CB 4.12Å; F397-Y525 HydrophobicContact CE1-CD2 4.39Å; F397-Y525 HydrophobicContact CZ-CD2 4.18Å
398S57Low60.7Low38 Ų3868.7 Ų68.727%0.26635%0.353SS..THydrogen-bonded Turntrans-53.85.4-171.557.80000118.5Q400 F482S398-Q400 VanDerWaalsContact C-N 3.29Å; S398-Q400 PolarHBondContact O-N 2.92Å; S398-F482 PolarHBondContact OG-O 3.06Å
399N45Very low57.8Low83 Ų8375.4 Ų75.444%0.44438%0.383SS..THydrogen-bonded Turntrans-80.66.5172.6-66.9-72000114.4F397 K481F397-N399 PolarHBondContact O-N 3.08Å; N399-K481 VanDerWaalsContact OD1-CD 3.29Å; N399-K481 WeakPolarHBondContact OD1-CD 3.39Å; N399-K481 WeakPolarHBondContact OD1-CE 3.49Å; N399-K481 PolarHBondContact OD1-NZ 3.11Å
400Q38.6Very low54.9Low165 Ų16581.5 Ų81.577%0.77141%0.411SS*.SBendtrans-120.9-3.4-167.1-71.3-171.1-17.900117.1S398S398-Q400 VanDerWaalsContact C-N 3.29Å; S398-Q400 PolarHBondContact O-N 2.92Å
401Y37.2Very low51.9Low114 Ų11488.5 Ų88.545%0.44744%0.444SS..  trans-92.1130.2177.8-74.8-86.7000111.9Q479 E514Y401-Q479 PolarHBondContact O-NE2 3.28Å; Y401-Q479 VanDerWaalsContact O-NE2 3.1Å; Y401-E514 VanDerWaalsContact CE1-OE2 3.27Å; Y401-E514 WeakPolarHBondContact CE1-OE2 3.38Å; Y401-E514 PolarHBondContact OH-OE2 2.87Å
402S32.3Very low49Very low82 Ų8293.3 Ų93.357%0.57348%0.478SS*.  trans-82.2164.3169.360.90000111N404S402-N404 PolarHBondContact O-N 3.4Å
403E33.3Very low46Very low137 Ų13798.2 Ų98.264%0.6450%0.501SS*.SBendtrans-73.124.4-174.8-66.8167.9132.600114.6M405 N477E403-M405 PolarHBondContact O-N 3.11Å; E403-M405 VanDerWaalsContact O-N 3.08Å; E403-N477 PolarHBondContact OE2-ND2 3.19Å
404N30.3Very low43.4Very low144 Ų144104.8 Ų104.877%0.7754%0.536SS*.  trans-76.112.6176.8-69.817.3000113.5S402 P406S402-N404 PolarHBondContact O-N 3.4Å; N404-P406 WeakPolarHBondContact O-CD 3.19Å
405M35.7Very low40.8Very low63 Ų63110.9 Ų110.931%0.3157%0.573SS.*SBendtrans-88105.5166.8-122.4-69-147.200107K389 E403 L407 L511K389-M405 HydrophobicContact CG-CE 3.68Å; E403-M405 PolarHBondContact O-N 3.11Å; E403-M405 VanDerWaalsContact O-N 3.08Å; M405-L407 PolarHBondContact O-N 3.5Å; M405-L511 HydrophobicContact CE-CD1 4.14Å; M405-L511 HydrophobicContact CE-CD2 3.79Å; M405-L511 HydrophobicContact CE-CG 4.49Å; M405-L511 HydrophobicContact CG-CD2 4.48Å; M405-L511 HydrophobicContact SD-CD1 4.37Å; M405-L511 HydrophobicContact SD-CD2 3.81Å
406P27.9Very low38Very low66 Ų66117.8 Ų117.843%0.42961%0.61SS.*  trans-64.6108.4-175.225.1-32.4000109.9N404 Q408 F409N404-P406 WeakPolarHBondContact O-CD 3.19Å; P406-Q408 PolarHBondContact O-N 3.48Å; P406-F409 HydrophobicContact CG-CE2 3.87Å; P406-F409 HydrophobicContact CG-CZ 3.91Å
407L35.5Very low35.9Very low150 Ų150123.9 Ų123.979%0.78564%0.641SS**SBendtrans-780.4173.9-83.3166.3000112.7M405M405-L407 PolarHBondContact O-N 3.5Å
408Q30.5Very low34Very low159 Ų159125.9 Ų125.974%0.74366%0.657SS**  trans-138.6111174.5-64.1176.7-70.500107.4P406P406-Q408 PolarHBondContact O-N 3.48Å
409F32.8Very low32.7Very low142 Ų142127.3 Ų127.362%0.62368%0.677SS**  trans-92102.4148.5-80.3-81000105.1P406P406-F409 HydrophobicContact CG-CE2 3.87Å; P406-F409 HydrophobicContact CG-CZ 3.91Å
410E28.3Very low32.3Very low157 Ų157132.6 Ų132.673%0.73470%0.699SS**  trans-66.6132.6154.2-68.2-177.9146.800106.3S412E410-S412 VanDerWaalsContact C-N 3.33Å; E410-S412 PolarHBondContact O-N 3.44Å
411E28.8Very low31.8Very low148 Ų148130.7 Ų130.769%0.69270%0.699SS**  trans-67100.1165-80.1170.8137.600106.8L46 D413L46-E411 WeakPolarHBondContact CD2-OE2 3.43Å; E411-D413 PolarHBondContact O-N 3.41Å
412S31.4Very low31.6Very low100 Ų100131.5 Ų131.570%0.69972%0.72SS**  trans-69.684.4168.6-590000108.6E410 L414E410-S412 VanDerWaalsContact C-N 3.33Å; E410-S412 PolarHBondContact O-N 3.44Å; S412-L414 PolarHBondContact O-N 2.79Å
413D27.5Very low31.4Very low144 Ų144135 Ų13577%0.7773%0.732SS**  trans-63.277163.6-78.2-25000109.1E411 V415E411-D413 PolarHBondContact O-N 3.41Å; D413-V415 VanDerWaalsContact C-N 3.32Å; D413-V415 PolarHBondContact O-N 3.26Å; D413-V415 VanDerWaalsContact O-N 3.15Å
414L32.2Very low31.4Very low158 Ų158134.9 Ų134.983%0.82774%0.74SS**  trans-80.888.6165.4-79.3171.6000107.9S412S412-L414 PolarHBondContact O-N 2.79Å
415V34.5Very low31.2Very low128 Ų128134.9 Ų134.978%0.77674%0.741SS**  trans-54.8133.3164178.80000108.8D413 D417D413-V415 VanDerWaalsContact C-N 3.32Å; D413-V415 PolarHBondContact O-N 3.26Å; D413-V415 VanDerWaalsContact O-N 3.15Å; V415-D417 PolarHBondContact O-N 3.41Å
416D29Very low30.7Very low160 Ų160137.2 Ų137.286%0.85676%0.763SS**  trans-56.6128.4174.3-62.6-64.7000111.1
417D33.2Very low30.9Very low153 Ų153143.3 Ų143.382%0.81879%0.788SS**  trans-139.2105.9161.9-160.412.7000110V415V415-D417 PolarHBondContact O-N 3.41Å
418D32.8Very low30.5Very low153 Ų153144 Ų14482%0.81879%0.785SS**  trans7.8119.6165.9-68-18.8000120.8
419G29.6Very low30.5Very low67 Ų67145 Ų14569%0.69179%0.794SS**  71.6104.1126.500000119
420H36.7Very low30.2Very low194 Ų194144.8 Ų144.890%0.89880%0.795SS**  -168.8134.8109.1-99.5-64.6000112.6
421T27.7Very low30.2Very low126 Ų126144.9 Ų144.977%0.77380%0.801SS**  trans-62.2139.9170.6490000112.9
422C33.5Very low30.4Very low131 Ų131144.6 Ų144.689%0.88581%0.809SS**  trans-163.4110.5146.5-108.80000111.5
423D27.4Very low30.4Very low156 Ų156144.9 Ų144.983%0.83481%0.811SS**  trans-65.3145.2166.3-63.1-68.9000111.5
424T33.7Very low30.4Very low133 Ų133146.6 Ų146.682%0.81681%0.814SS**  trans-169.4103.9137.3100000114.6
425N27.2Very low30.4Very low145 Ų145146.4 Ų146.478%0.77581%0.814SS**  trans23.3120.3137.2-64.4-34.6000121.6
426S25.6Very low30.2Very low112 Ų112147 Ų14778%0.78381%0.808SS**  44.5123.6120.4-55.60000121.2
427M31.2Very low30.3Very low194 Ų194146.4 Ų146.496%0.95680%0.798SS**  -159.4145121.8-114.1179.4-173.700114.9
428K26Very low30.3Very low165 Ų165146.6 Ų146.672%0.71779%0.794SS**  trans-63.1159.9168.7-72.6173158.1-166.90111.8E430K428-E430 IonicContact NZ-OE1 3.87Å; K428-E430 PolarHBondContact NZ-OE1 3.09Å
429L30.5Very low30.2Very low178 Ų178144.6 Ų144.693%0.93278%0.783SS**  trans-131.3125.3148.9-108160.3000109.9
430E27.8Very low30.3Very low138 Ų138147.7 Ų147.765%0.64578%0.784SS**  trans-99163.6-178.6-80.5173.2177.900112.1K428K428-E430 IonicContact NZ-OE1 3.87Å; K428-E430 PolarHBondContact NZ-OE1 3.09Å
431N28Very low30.1Very low160 Ų160143.8 Ų143.886%0.85678%0.778SS**  trans-50.6145.2-179.8-51.3-50.8000114.9
432V32Very low30.3Very low142 Ų142143.2 Ų143.286%0.86178%0.775SS**  trans-137144.2144.5-176.80000110.1
433S33Very low30.3Very low105 Ų105144.5 Ų144.573%0.73477%0.767SS**  trans-73.1153.1-166.3510000117.9
434E26.5Very low30.3Very low180 Ų180142.6 Ų142.684%0.84175%0.753SS**  trans-73.5141150.6-62.6-178.1140.400111
435N33.1Very low30.2Very low154 Ų154146.3 Ų146.382%0.82475%0.752SS**  trans-168.8125.5137.7-103-26.7000113.8
436E30.2Very low30.5Very low140 Ų140144.9 Ų144.965%0.65475%0.749SS**  trans52.5115.1143-57.5-140.9130.100123.7
437K30.9Very low30.6Very low148 Ų148145.7 Ų145.764%0.64375%0.749SS**  87.6123121.3-74.4174.8-173148.40122.8
438Q32.1Very low30.8Very low158 Ų158142.3 Ų142.374%0.73875%0.745SS**  trans95.6115.9132.2-77.5-175-91.900122.1
439D32.2Very low31.2Very low110 Ų110143.2 Ų143.259%0.58875%0.752SS**  78.1103.1129.7-68.7-40.6000122.4
440N30.2Very low31.6Very low132 Ų132139.6 Ų139.671%0.70674%0.738SS**  79117.8123-62.9-37.2000122.2
441S33.8Very low32Very low112 Ų112139.2 Ų139.278%0.78375%0.746SS**  trans79.4154.5138.286.80000117.4
442V31.1Very low32.4Very low115 Ų115136.5 Ų136.570%0.69774%0.74SS**  cis-170.5158.3-18.41280000106.3
443H33Very low32.6Very low158 Ų158134.7 Ų134.773%0.73173%0.73SS**  trans64.7160.1170.3-77.5-60.5000117.3
444E28.9Very low32.6Very low116 Ų116139.2 Ų139.254%0.54274%0.737SS.*  cis-166.2143.6-41.7-138.2-169.4145.200110.4
445R30.4Very low33.2Very low210 Ų210136.5 Ų136.579%0.79274%0.738SS**  trans68.4160.5140-130.9-172.6-87.9-157.51121.7
446V33.4Very low33.1Very low116 Ų116137 Ų13770%0.70374%0.74SS**  trans94.677.6159.8-159.30000120.2
447T28.7Very low33.3Very low128 Ų128133.7 Ų133.779%0.78574%0.743SS**  22.5137.7126.1550000123.4
448S36.1Very low33.5Very low124 Ų124135.8 Ų135.887%0.86775%0.752SS**  -165135125.422.80000114.6
449Q33.3Very low33.4Very low184 Ų184136.7 Ų136.786%0.8676%0.758SS**  trans-104.5-158.3159.1-71.8-168.2-3700107.6
450P39.9Very low33.4Very low101 Ų101140.6 Ų140.666%0.65677%0.773SS**  cis-147.3-158.30.439.5-14.5000117
451T35.6Very low33.2Very low130 Ų130142.8 Ų142.880%0.79878%0.779SS**  trans105.8145.8158.568.70000118
452S35.6Very low33.1Very low104 Ų104146 Ų14673%0.72778%0.781SS**  cis-180-169-22.3650000108.8
453P36.9Very low32.9Very low103 Ų103147.6 Ų147.667%0.66979%0.792SS**  cis-138.5166.4-49.333-12.2000118
454K33.2Very low32.9Very low201 Ų201144.4 Ų144.487%0.87479%0.787SS**  trans61.5124.7138-71.8170.8-177.9177.20124.7
455S39.1Very low32.9Very low123 Ų123148.9 Ų148.986%0.8680%0.804SS**  trans-133174.2132.665.30000110
456L31.2Very low32.7Very low165 Ų165146.8 Ų146.886%0.86480%0.804SS**  trans-161.6135.1-164.3-171164000113.7
457G33.5Very low32.4Very low69 Ų69150.4 Ų150.471%0.71182%0.815SS**  trans-175.988.2170.900000120
458K35.3Very low32.3Very low192 Ų192152.2 Ų152.284%0.83582%0.815SS**  trans46.4110.5146.5-61.6-178.2-179.6-177.80120.2
459M29.1Very low31.8Very low178 Ų178152.9 Ų152.988%0.87781%0.809SS**  71.6106.887-79.4-171.878.500116.4
460E31.9Very low31.4Very low192 Ų192148.5 Ų148.590%0.89780%0.798SS**  -163.6149.4114-110.3173.2-16700111.1
461E26.7Very low30.8Very low178 Ų178155.1 Ų155.183%0.83281%0.812SS**  trans-86.3122.3-172.5-68.5174.2106.400112.7
462H31.7Very low30.3Very low178 Ų178154 Ų15482%0.82481%0.805SS**  trans-134.3123.5150.9-85.5-54000112.1S464H462-S464 PolarHBondContact O-N 3.2Å
463T26.7Very low29.9Very low150 Ų150156.2 Ų156.292%0.9281%0.809SS**  trans-78.261.8-175.238.20000112.7
464S32.8Very low29.4Very low90 Ų90158.6 Ų158.663%0.62982%0.815SS**  trans-98.5121.6164.641.50000109.8H462 E466H462-S464 PolarHBondContact O-N 3.2Å; S464-E466 PolarHBondContact O-N 3.48Å
465K29.8Very low29.1Very low210 Ų210158.3 Ų158.391%0.91382%0.817SS**  trans-58.9100.3175.7-74.8175.3174.51750110.1M467K465-M467 PolarHBondContact O-N 3.4Å
466E25.2Very low28.5Very low166 Ų166157.3 Ų157.378%0.77681%0.806SS**  trans-62.8131.1174.4-75.4-173.3121.300110.6S464 Q468S464-E466 PolarHBondContact O-N 3.48Å; E466-Q468 PolarHBondContact O-N 3.09Å
467M28.5Very low28.4Very low192 Ų192154.8 Ų154.895%0.94679%0.793SS**  trans-77.569.7176.2-65.6172.57600109.9K465K465-M467 PolarHBondContact O-N 3.4Å
468Q24.9Very low28.3Very low167 Ų167161.7 Ų161.778%0.7880%0.798SS**  trans-111.158.4165.9-71.7-163.5-2.600111.1E466E466-Q468 PolarHBondContact O-N 3.09Å
469N26.3Very low28.5Very low137 Ų137157.1 Ų157.173%0.73378%0.779SS**  trans-100.4101162.6-82.6-6.9000109.3Y471N469-Y471 PolarHBondContact O-N 2.91Å
470S25.5Very low29.5Very low92 Ų92151.5 Ų151.564%0.64375%0.752SS**  trans27.789134.161.30000117.3T472S470-T472 VanDerWaalsContact C-N 3.32Å
471Y27.5Very low30.5Very low240 Ų240149.9 Ų149.994%0.94174%0.742SS**  trans-99.951.6155.6-80.8-80.2000111N469N469-Y471 PolarHBondContact O-N 2.91Å
472T25.2Very low32.1Very low107 Ų107143.4 Ų143.466%0.65671%0.712SS**  trans-87.1117.8161.646.20000109.2S470S470-T472 VanDerWaalsContact C-N 3.32Å
473N26.2Very low33.6Very low151 Ų151138.1 Ų138.181%0.80770%0.695SS**SBendtrans51.382.5156.3-56.5-19.7000117.6
474L27.2Very low35.8Very low152 Ų152136 Ų13680%0.79667%0.67SS**  trans-164.325.1158.1-111.9152.3000118.8T476L474-T476 HydrophobicContact CD2-CG2 4.27Å; L474-T476 PolarHBondContact O-N 3.38Å
475E26.3Very low37.9Very low196 Ų196132 Ų13292%0.91664%0.641SS**  trans-82.695.4156.1-74.5-156.8145.400109.1N477E475-N477 PolarHBondContact O-N 3.06Å
476T27.8Very low40.1Very low102 Ų102125.5 Ų125.563%0.62662%0.619SS**  trans-78.8101.3-18036.60000110.2L474 R478L474-T476 HydrophobicContact CD2-CG2 4.27Å; L474-T476 PolarHBondContact O-N 3.38Å; T476-R478 PolarHBondContact O-N 2.98Å
477N28.5Very low42.7Very low111 Ų111120.2 Ų120.259%0.59461%0.61SS**  trans-54.598.4167.9-73.7-12.9000109.5E403 E475 Q479E403-N477 PolarHBondContact OE2-ND2 3.19Å; E475-N477 PolarHBondContact O-N 3.06Å; N477-Q479 PolarHBondContact O-N 3.05Å
478R30.2Very low45.5Very low214 Ų214111.6 Ų111.681%0.80857%0.568SS**  trans-74.695177.8-77.5-175.1174.2-177.1-1.9108.5T476 L480T476-R478 PolarHBondContact O-N 2.98Å; R478-L480 PolarHBondContact O-N 2.81Å
479Q41.4Very low48.6Very low96 Ų96105.1 Ų105.145%0.44954%0.541SS..  trans-36.2126.1170-75.9176.2-37.700111.4Y401 N477 K481Y401-Q479 PolarHBondContact O-NE2 3.28Å; Y401-Q479 VanDerWaalsContact O-NE2 3.1Å; N477-Q479 PolarHBondContact O-N 3.05Å; Q479-K481 PolarHBondContact O-N 3.3Å
480L49.8Very low51.7Low60 Ų6099.9 Ų99.931%0.31452%0.515SS..  trans-67.599.9172.9-79.9170.8000109.5F135 R478 F482F135-L480 HydrophobicContact CE1-CD2 3.83Å; F135-L480 HydrophobicContact CZ-CD1 4.13Å; F135-L480 HydrophobicContact CZ-CD2 3.71Å; F135-L480 HydrophobicContact CZ-CG 4.39Å; R478-L480 PolarHBondContact O-N 2.81Å; L480-F482 HydrophobicContact CB-CD2 4.41Å; L480-F482 HydrophobicContact CB-CE2 3.91Å; L480-F482 HydrophobicContact CB-CZ 4.37Å; L480-F482 VanDerWaalsContact O-CD2 3.32Å; L480-F482 WeakPolarHBondContact O-CD2 3.29Å; L480-F482 PolarHBondContact O-N 3.32Å
481K51.4Low54.7Low158 Ų15897.5 Ų97.569%0.68750%0.495SS*.  trans-74.490.2175.3-65.6-164.3175.7-159.90110.5N399 Q479 S483N399-K481 VanDerWaalsContact OD1-CD 3.29Å; N399-K481 WeakPolarHBondContact OD1-CD 3.39Å; N399-K481 WeakPolarHBondContact OD1-CE 3.49Å; N399-K481 PolarHBondContact OD1-NZ 3.11Å; Q479-K481 PolarHBondContact O-N 3.3Å; K481-S483 PolarHBondContact O-N 3.42Å
482F60.6Low57.8Low43 Ų4386.1 Ų86.119%0.18945%0.45CS..PPolyproline II helixtrans-68.1126167.9-68.1-79.9000110.1C131 I134 F135 L393 S398 L480C131-F482 HydrophobicContact CB-CE1 4.25Å; I134-F482 HydrophobicContact CB-CD1 4.22Å; I134-F482 HydrophobicContact CD1-CB 4.48Å; I134-F482 HydrophobicContact CD1-CD1 3.95Å; I134-F482 HydrophobicContact CG2-CB 4.1Å; I134-F482 HydrophobicContact CG2-CD1 3.83Å; I134-F482 HydrophobicContact CG2-CG 4.48Å; F135-F482 HydrophobicContact CD2-CE1 4.09Å; F135-F482 HydrophobicContact CE2-CD1 4.44Å; F135-F482 AromaticContact CE2-CE1 3.45Å; F135-F482 HydrophobicContact CE2-CE1 3.45Å; F135-F482 VanDerWaalsContact CE2-CE1 3.45Å; F135-F482 AromaticContact CE2-CZ 3.89Å; F135-F482 HydrophobicContact CE2-CZ 3.89Å; F135-F482 AromaticContact CZ-CE1 3.82Å; F135-F482 HydrophobicContact CZ-CE1 3.82Å; F135-F482 HydrophobicContact CZ-CZ 4.04Å; L393-F482 HydrophobicContact CD1-CD1 4.29Å; L393-F482 HydrophobicContact CD1-CD2 4.49Å; L393-F482 HydrophobicContact CD1-CE1 4.48Å; L393-F482 HydrophobicContact CD1-CG 4.3Å; S398-F482 PolarHBondContact OG-O 3.06Å; L480-F482 HydrophobicContact CB-CD2 4.41Å; L480-F482 HydrophobicContact CB-CE2 3.91Å; L480-F482 HydrophobicContact CB-CZ 4.37Å; L480-F482 VanDerWaalsContact O-CD2 3.32Å; L480-F482 WeakPolarHBondContact O-CD2 3.29Å; L480-F482 PolarHBondContact O-N 3.32Å
483S63.4Low61.1Low67 Ų6781 Ų8147%0.46942%0.419SS..PPolyproline II helixtrans-70.8148167.552.60000110.5I134 K481 V485I134-S483 WeakPolarHBondContact CG2-O 3.3Å; I134-S483 WeakPolarHBondContact CG2-OG 3.4Å; K481-S483 PolarHBondContact O-N 3.42Å; S483-V485 PolarHBondContact O-N 2.94Å
484R73.3Confident64.2Low105 Ų10574.5 Ų74.540%0.39639%0.385SS..PPolyproline II helixtrans-49.2122.7176.4175-179.3165.2-148.7-3.7110.9T486 Y525 E526R484-T486 PolarHBondContact O-N 3.16Å; R484-Y525 VanDerWaalsContact NH1-CE1 3.26Å; R484-Y525 PolarHBondContact NH1-OH 3.48Å; R484-E526 IonicContact CZ-OE1 2.93Å; R484-E526 IonicContact CZ-OE2 3.92Å; R484-E526 IonicContact NE-OE1 3.17Å; R484-E526 PolarHBondContact NE-OE1 3.19Å; R484-E526 IonicContact NH2-OE1 2.76Å; R484-E526 PolarHBondContact NH2-OE1 3.41Å; R484-E526 IonicContact NH2-OE2 3.39Å; R484-E526 PolarHBondContact NH2-OE2 2.95Å
485V77.3Confident67.2Low5 Ų568.1 Ų68.13%0.0335%0.351CS..PPolyproline II helixtrans-57.6119.9169.7178.40000109.2F130 I134 F394 S483 R522F130-V485 HydrophobicContact CD1-CG1 3.83Å; F130-V485 HydrophobicContact CD1-CG2 4.31Å; F130-V485 HydrophobicContact CE1-CG1 3.7Å; I134-V485 HydrophobicContact CD1-CG2 3.52Å; I134-V485 HydrophobicContact CG1-CG2 3.72Å; F394-V485 HydrophobicContact CD1-CB 4.28Å; F394-V485 HydrophobicContact CD1-CG2 4.03Å; F394-V485 HydrophobicContact CE1-CB 4.47Å; F394-V485 HydrophobicContact CE1-CG1 4.38Å; F394-V485 HydrophobicContact CE1-CG2 4.1Å; S483-V485 PolarHBondContact O-N 2.94Å; V485-R522 PolarHBondContact O-NH2 2.82Å
486T75.5Confident70.4Confident74 Ų7458.8 Ų58.845%0.45431%0.307SS..SBendtrans-89.6147.5178.654.70000111.1R360 R484 L488R360-T486 PolarHBondContact NH2-O 3.33Å; R484-T486 PolarHBondContact O-N 3.16Å; T486-L488 VanDerWaalsContact C-N 3.33Å; T486-L488 PolarHBondContact O-N 2.91Å
487G79.8Confident73.5Confident56 Ų5653.9 Ų53.958%0.57728%0.277SS*.SBendtrans66.728.317700000115M361M361-G487 WeakPolarHBondContact CG-O 3.06Å; M361-G487 VanDerWaalsContact SD-O 3.38Å
488L87.8Confident76.3Confident11 Ų1151.8 Ų51.86%0.05826%0.263CS..  trans-70.3135.9169.6-168.368000109.2F130 M361 F394 T486 F492 V493 W528F130-L488 HydrophobicContact CZ-CD1 4.19Å; M361-L488 HydrophobicContact SD-CD1 4.21Å; F394-L488 HydrophobicContact CB-CD2 4Å; F394-L488 HydrophobicContact CD1-CD1 4.1Å; F394-L488 HydrophobicContact CD1-CD2 3.62Å; F394-L488 HydrophobicContact CD2-CD2 4.35Å; F394-L488 HydrophobicContact CE1-CD1 3.8Å; F394-L488 HydrophobicContact CE1-CD2 4.2Å; F394-L488 HydrophobicContact CG-CD2 3.72Å; F394-L488 HydrophobicContact CZ-CD1 4.11Å; T486-L488 VanDerWaalsContact C-N 3.33Å; T486-L488 PolarHBondContact O-N 2.91Å; L488-F492 HydrophobicContact CD1-CD1 3.53Å; L488-F492 HydrophobicContact CD1-CE1 3.79Å; L488-F492 HydrophobicContact CG-CD1 4.42Å; L488-V493 HydrophobicContact CD2-CG2 3.86Å; L488-V493 HydrophobicContact CG-CG2 4.17Å; L488-W528 HydrophobicContact CB-CH2 4.14Å; L488-W528 HydrophobicContact CD2-CH2 4.05Å; L488-W528 HydrophobicContact CD2-CZ3 4.44Å; L488-W528 HydrophobicContact CG-CH2 4.12Å; L488-W528 VanDerWaalsContact O-CZ2 3.29Å; L488-W528 WeakPolarHBondContact O-CZ2 3.33Å
489S90.1Very high79.2Confident31 Ų3142.1 Ų42.122%0.21723%0.228CC..  trans-95.5147.8179.374.80000112.6N491 F492 V493S489-N491 PolarHBondContact O-N 3.28Å; S489-F492 PolarHBondContact O-N 3.18Å; S489-F492 VanDerWaalsContact OG-CB 3.28Å; S489-F492 WeakPolarHBondContact OG-CB 3.48Å; S489-F492 PolarHBondContact OG-N 3.47Å; S489-V493 PolarHBondContact O-N 2.77Å
490S91.4Very high81.6Confident26 Ų2637.5 Ų37.518%0.18221%0.207CC..Hα-helixtrans-61.1-42.1175.554.50000112F492 V493 T494S490-F492 PolarHBondContact O-N 3.3Å; S490-V493 WeakPolarHBondContact O-CB 3.5Å; S490-V493 PolarHBondContact O-N 2.75Å; S490-T494 PolarHBondContact O-N 2.87Å; S490-T494 PolarHBondContact O-OG1 2.8Å; S490-T494 VanDerWaalsContact O-OG1 3.09Å
491N88.9Confident83.5Confident43 Ų4338.3 Ų38.323%0.2321%0.206CC..Hα-helixtrans-60.8-40.6179.1-66.5-26.5000112.9T365 S489 V493 T494 E495T365-N491 HydrophobicContact CG2-CB 4.15Å; S489-N491 PolarHBondContact O-N 3.28Å; N491-V493 VanDerWaalsContact C-N 3.29Å; N491-V493 PolarHBondContact O-N 3.32Å; N491-T494 WeakPolarHBondContact O-CB 3.24Å; N491-T494 PolarHBondContact O-N 2.94Å; N491-E495 PolarHBondContact O-N 3.24Å; N491-E495 VanDerWaalsContact O-N 3.09Å
492F91.9Very high85.3Confident0 Ų031.6 Ų31.60%018%0.178CC..Hα-helixtrans-59.3-40.3173.1176.7-101.2000112.1I126 F130 L364 T365 M368 F394 L488 S489 S490 E495 I496I126-F492 HydrophobicContact CG2-CZ 4.07Å; F130-F492 HydrophobicContact CE2-CE1 4.02Å; F130-F492 AromaticContact CE2-CZ 3.76Å; F130-F492 HydrophobicContact CE2-CZ 3.76Å; F130-F492 HydrophobicContact CZ-CE1 4.25Å; F130-F492 HydrophobicContact CZ-CZ 4.28Å; L364-F492 HydrophobicContact CB-CD2 3.9Å; L364-F492 HydrophobicContact CB-CE2 3.71Å; T365-F492 WeakPolarHBondContact OG1-CB 3.35Å; M368-F492 HydrophobicContact CB-CD2 4.44Å; M368-F492 HydrophobicContact CB-CE2 4.29Å; M368-F492 HydrophobicContact CG-CD2 3.98Å; M368-F492 HydrophobicContact CG-CE2 3.37Å; M368-F492 HydrophobicContact CG-CZ 4.09Å; F394-F492 AromaticContact CE2-CE1 3.77Å; F394-F492 HydrophobicContact CE2-CE1 3.77Å; F394-F492 AromaticContact CZ-CE1 3.68Å; F394-F492 HydrophobicContact CZ-CE1 3.68Å; F394-F492 HydrophobicContact CZ-CZ 4.34Å; L488-F492 HydrophobicContact CD1-CD1 3.53Å; L488-F492 HydrophobicContact CD1-CE1 3.79Å; L488-F492 HydrophobicContact CG-CD1 4.42Å; S489-F492 PolarHBondContact O-N 3.18Å; S489-F492 VanDerWaalsContact OG-CB 3.28Å; S489-F492 WeakPolarHBondContact OG-CB 3.48Å; S489-F492 PolarHBondContact OG-N 3.47Å; S490-F492 PolarHBondContact O-N 3.3Å; F492-E495 PolarHBondContact O-N 3.07Å; F492-I496 HydrophobicContact CD1-CD1 3.91Å; F492-I496 HydrophobicContact CE1-CD1 3.39Å; F492-I496 HydrophobicContact CE1-CG1 4.44Å; F492-I496 HydrophobicContact CZ-CD1 3.76Å; F492-I496 PolarHBondContact O-N 3.14Å
493V93.3Very high86.6Confident0 Ų029.7 Ų29.70%017%0.171CC..Hα-helixtrans-70.7-34176.8174.20000111.9L488 S489 S490 N491 I496 L497 L519 W528 V531L488-V493 HydrophobicContact CD2-CG2 3.86Å; L488-V493 HydrophobicContact CG-CG2 4.17Å; S489-V493 PolarHBondContact O-N 2.77Å; S490-V493 WeakPolarHBondContact O-CB 3.5Å; S490-V493 PolarHBondContact O-N 2.75Å; N491-V493 VanDerWaalsContact C-N 3.29Å; N491-V493 PolarHBondContact O-N 3.32Å; V493-I496 PolarHBondContact O-N 3.28Å; V493-L497 HydrophobicContact CG1-CD1 4.35Å; V493-L497 WeakPolarHBondContact O-CG 3.42Å; V493-L497 PolarHBondContact O-N 3.32Å; V493-L519 HydrophobicContact CG1-CB 4.34Å; V493-L519 HydrophobicContact CG1-CD1 4.2Å; V493-L519 HydrophobicContact CG1-CD2 3.93Å; V493-L519 HydrophobicContact CG1-CG 4.37Å; V493-W528 HydrophobicContact CB-CZ3 4.38Å; V493-W528 HydrophobicContact CG2-CH2 4.42Å; V493-W528 HydrophobicContact CG2-CZ3 3.83Å; V493-V531 HydrophobicContact CG1-CG1 3.71Å; V493-V531 HydrophobicContact CG1-CG2 4.4Å
494T91.7Very high87.8Confident15 Ų1526.8 Ų26.89%0.09215%0.15CC..Hα-helixtrans-60.1-44.1172-55.30000111.9S490 N491 I496 L497 F498 L534S490-T494 PolarHBondContact O-N 2.87Å; S490-T494 PolarHBondContact O-OG1 2.8Å; S490-T494 VanDerWaalsContact O-OG1 3.09Å; N491-T494 WeakPolarHBondContact O-CB 3.24Å; N491-T494 PolarHBondContact O-N 2.94Å; T494-I496 PolarHBondContact O-N 3.47Å; T494-L497 PolarHBondContact O-N 3.24Å; T494-L497 VanDerWaalsContact O-N 3.16Å; T494-F498 HydrophobicContact CG2-CD2 4.23Å; T494-F498 HydrophobicContact CG2-CE1 4.37Å; T494-F498 HydrophobicContact CG2-CE2 3.6Å; T494-F498 HydrophobicContact CG2-CZ 3.66Å; T494-F498 WeakPolarHBondContact O-CG 3.31Å; T494-F498 PolarHBondContact O-N 2.88Å; T494-L534 HydrophobicContact CG2-CD2 3.89Å
495E90.8Very high88.5Confident17 Ų1726.5 Ų26.58%0.07915%0.151CC..Hα-helixtrans-65.6-36.5176.1-65.4-62.2161.100112.6T365 M368 K369 S372 N491 F492 F498 S499T365-E495 HydrophobicContact CG2-CG 4.08Å; M368-E495 HydrophobicContact CB-CB 3.93Å; K369-E495 HydrophobicContact CB-CG 4.18Å; S372-E495 PolarHBondContact OG-OE2 2.66Å; N491-E495 PolarHBondContact O-N 3.24Å; N491-E495 VanDerWaalsContact O-N 3.09Å; F492-E495 PolarHBondContact O-N 3.07Å; E495-F498 PolarHBondContact O-N 3.29Å; E495-S499 WeakPolarHBondContact O-CB 3.46Å; E495-S499 PolarHBondContact O-N 3.3Å; E495-S499 PolarHBondContact O-OG 2.9Å
496I92.8Very high88.9Confident0 Ų028 Ų280%016%0.161CC..Hα-helixtrans-63.3-41.8170.8-66.9171.5000110.6M368 L387 L390 A391 F394 F492 V493 T494 S499 L500 L519M368-I496 HydrophobicContact CE-CG1 4.14Å; L387-I496 HydrophobicContact CD1-CG2 4.37Å; L390-I496 HydrophobicContact CD2-CD1 4.29Å; L390-I496 HydrophobicContact CG-CD1 4.32Å; A391-I496 HydrophobicContact CB-CG2 4.14Å; F394-I496 HydrophobicContact CD2-CD1 4.36Å; F394-I496 HydrophobicContact CE2-CD1 3.76Å; F492-I496 HydrophobicContact CD1-CD1 3.91Å; F492-I496 HydrophobicContact CE1-CD1 3.39Å; F492-I496 HydrophobicContact CE1-CG1 4.44Å; F492-I496 HydrophobicContact CZ-CD1 3.76Å; F492-I496 PolarHBondContact O-N 3.14Å; V493-I496 PolarHBondContact O-N 3.28Å; T494-I496 PolarHBondContact O-N 3.47Å; I496-S499 CarbonylContact O-C 3.54Å; I496-S499 WeakPolarHBondContact O-CB 3.18Å; I496-S499 PolarHBondContact O-N 2.82Å; I496-L500 HydrophobicContact CG2-CD1 3.78Å; I496-L500 HydrophobicContact CG2-CG 4.06Å; I496-L500 WeakPolarHBondContact O-CB 3.16Å; I496-L500 WeakPolarHBondContact O-CG 3.33Å; I496-L500 PolarHBondContact O-N 3.37Å; I496-L519 HydrophobicContact CB-CD1 4.5Å; I496-L519 HydrophobicContact CG2-CD1 3.8Å
497L92.7Very high89.3Confident0 Ų029.8 Ų29.80%016%0.164CC..Hα-helixtrans-65.5-40177.9-74.9169.7000112.8V493 T494 S499 L500 Y501 V516 L519 V531 L534 I535 I538V493-L497 HydrophobicContact CG1-CD1 4.35Å; V493-L497 WeakPolarHBondContact O-CG 3.42Å; V493-L497 PolarHBondContact O-N 3.32Å; T494-L497 PolarHBondContact O-N 3.24Å; T494-L497 VanDerWaalsContact O-N 3.16Å; L497-S499 VanDerWaalsContact C-N 3.25Å; L497-S499 PolarHBondContact O-N 3.43Å; L497-L500 PolarHBondContact O-N 3.24Å; L497-Y501 WeakPolarHBondContact O-CB 3.31Å; L497-Y501 PolarHBondContact O-N 3.44Å; L497-V516 HydrophobicContact CD2-CG2 4.31Å; L497-L519 HydrophobicContact CD2-CB 4.5Å; L497-L519 HydrophobicContact CD2-CD1 3.75Å; L497-L519 HydrophobicContact CG-CD1 3.99Å; L497-V531 HydrophobicContact CD1-CG1 3.71Å; L497-L534 HydrophobicContact CB-CD2 3.79Å; L497-L534 HydrophobicContact CB-CG 4.46Å; L497-L534 HydrophobicContact CD1-CD2 3.95Å; L497-L534 HydrophobicContact CD1-CG 4.28Å; L497-I535 HydrophobicContact CD1-CD1 4.06Å; L497-I535 HydrophobicContact CD1-CG1 3.6Å; L497-I535 HydrophobicContact CD2-CD1 4.33Å; L497-I535 HydrophobicContact CD2-CG1 3.83Å; L497-I535 HydrophobicContact CG-CG1 4.4Å; L497-I538 HydrophobicContact CB-CD1 4.26Å; L497-I538 HydrophobicContact CD2-CD1 4.28Å
498F89Confident89.6Confident66 Ų6627.7 Ų27.729%0.28914%0.139SC..Hα-helixtrans-61.6-36.6172-66-34.9000112T494 E495 P502 L534 F706T494-F498 HydrophobicContact CG2-CD2 4.23Å; T494-F498 HydrophobicContact CG2-CE1 4.37Å; T494-F498 HydrophobicContact CG2-CE2 3.6Å; T494-F498 HydrophobicContact CG2-CZ 3.66Å; T494-F498 WeakPolarHBondContact O-CG 3.31Å; T494-F498 PolarHBondContact O-N 2.88Å; E495-F498 PolarHBondContact O-N 3.29Å; F498-P502 WeakPolarHBondContact O-CD 3.39Å; F498-L534 HydrophobicContact CD1-CD2 4.13Å; F498-L534 HydrophobicContact CE1-CD1 4.16Å; F498-L534 HydrophobicContact CE1-CD2 3.76Å; F498-L534 HydrophobicContact CZ-CD2 4.35Å; F498-F706 HydrophobicContact CD2-CB 4.21Å; F498-F706 HydrophobicContact CD2-CG 4.37Å; F498-F706 HydrophobicContact CE2-CB 4.13Å
499S89.9Confident89.6Confident11 Ų1128.3 Ų28.38%0.07715%0.145CC..Hα-helixtrans-72.1-36.4176.5-54.20000112.9S372 E495 I496 L497 V503S372-S499 WeakPolarHBondContact CB-OG 3.42Å; E495-S499 WeakPolarHBondContact O-CB 3.46Å; E495-S499 PolarHBondContact O-N 3.3Å; E495-S499 PolarHBondContact O-OG 2.9Å; I496-S499 CarbonylContact O-C 3.54Å; I496-S499 WeakPolarHBondContact O-CB 3.18Å; I496-S499 PolarHBondContact O-N 2.82Å; L497-S499 VanDerWaalsContact C-N 3.25Å; L497-S499 PolarHBondContact O-N 3.43Å; S499-V503 WeakPolarHBondContact O-CG2 3.35Å
500L91.1Very high89.5Confident0 Ų032.2 Ų32.20%016%0.163CC..Hα-helixtrans-78.8-36.3-179.8-78173.7000113.5L387 A391 I496 L497 P502 V503 L504 V516 L519L387-L500 HydrophobicContact CD2-CD2 3.88Å; L387-L500 HydrophobicContact CD2-CG 4.13Å; L387-L500 HydrophobicContact CG-CD2 3.95Å; L387-L500 HydrophobicContact CG-CG 4.31Å; A391-L500 HydrophobicContact CB-CD1 3.69Å; A391-L500 HydrophobicContact CB-CD2 4.43Å; I496-L500 HydrophobicContact CG2-CD1 3.78Å; I496-L500 HydrophobicContact CG2-CG 4.06Å; I496-L500 WeakPolarHBondContact O-CB 3.16Å; I496-L500 WeakPolarHBondContact O-CG 3.33Å; I496-L500 PolarHBondContact O-N 3.37Å; L497-L500 PolarHBondContact O-N 3.24Å; L500-P502 VanDerWaalsContact C-N 3.35Å; L500-V503 WeakPolarHBondContact O-CA 3.45Å; L500-V503 WeakPolarHBondContact O-CB 3.5Å; L500-V503 PolarHBondContact O-N 2.96Å; L500-L504 PolarHBondContact O-N 2.98Å; L500-V516 HydrophobicContact CD1-CG2 4.37Å; L500-L519 HydrophobicContact CD1-CD1 3.74Å
501Y91.8Very high89.4Confident76 Ų7633 Ų3330%0.29817%0.165SC..G310 helixtrans-46.4-51.7-176.3167.2-108.2000112.8L497 V503 L504 F505 I538 D541L497-Y501 WeakPolarHBondContact O-CB 3.31Å; L497-Y501 PolarHBondContact O-N 3.44Å; Y501-V503 VanDerWaalsContact C-N 3.32Å; Y501-V503 PolarHBondContact O-N 2.8Å; Y501-L504 WeakPolarHBondContact O-CB 3.32Å; Y501-L504 PolarHBondContact O-N 3.29Å; Y501-F505 HydrophobicContact CD2-CE2 4.12Å; Y501-F505 HydrophobicContact CE1-CE2 4.49Å; Y501-F505 AromaticContact CE2-CE2 3.7Å; Y501-F505 HydrophobicContact CE2-CE2 3.7Å; Y501-F505 HydrophobicContact CE2-CZ 4.1Å; Y501-F505 AromaticContact CZ-CE2 3.91Å; Y501-F505 WeakPolarHBondContact O-CD2 3.38Å; Y501-F505 WeakPolarHBondContact O-CE2 3.49Å; Y501-I538 HydrophobicContact CD2-CB 4.41Å; Y501-I538 HydrophobicContact CD2-CD1 4.44Å; Y501-I538 HydrophobicContact CD2-CG1 3.83Å; Y501-I538 HydrophobicContact CD2-CG2 4.1Å; Y501-I538 HydrophobicContact CG-CG1 4.5Å; Y501-D541 PolarHBondContact OH-OD2 2.85Å
502P87.7Confident89.5Confident17 Ų1730.9 Ų30.911%0.1115%0.154CC..G310 helixtrans-75.4-18179.534.3-39.9000113.7P376 F498 L500 L504 F505 W710P376-P502 HydrophobicContact CG-CB 3.44Å; P376-P502 VanDerWaalsContact CG-CB 3.44Å; P376-P502 HydrophobicContact CG-CG 3.55Å; F498-P502 WeakPolarHBondContact O-CD 3.39Å; L500-P502 VanDerWaalsContact C-N 3.35Å; P502-L504 VanDerWaalsContact C-N 3.28Å; P502-L504 PolarHBondContact O-N 3.48Å; P502-F505 PolarHBondContact O-N 2.77Å; P502-W710 HydrophobicContact CB-CZ2 4.48Å
503V88.2Confident89.5Confident4 Ų432.1 Ų32.12%0.02416%0.162CC..G310 helixtrans-69.5-26173.1-174.50000111.5R384 L387 S499 L500 Y501 F505 T506 H508 A512R384-V503 HydrophobicContact CB-CG1 4.16Å; R384-V503 HydrophobicContact CB-CG2 4.35Å; R384-V503 HydrophobicContact CG-CG2 4.23Å; L387-V503 HydrophobicContact CD2-CG2 4.37Å; S499-V503 WeakPolarHBondContact O-CG2 3.35Å; L500-V503 WeakPolarHBondContact O-CA 3.45Å; L500-V503 WeakPolarHBondContact O-CB 3.5Å; L500-V503 PolarHBondContact O-N 2.96Å; Y501-V503 VanDerWaalsContact C-N 3.32Å; Y501-V503 PolarHBondContact O-N 2.8Å; V503-F505 PolarHBondContact O-N 3.1Å; V503-F505 VanDerWaalsContact O-N 3.12Å; V503-T506 PolarHBondContact O-N 3.05Å; V503-T506 PolarHBondContact O-OG1 3.5Å; V503-H508 HydrophobicContact CG1-CB 3.99Å; V503-A512 HydrophobicContact CB-CB 4.24Å; V503-A512 HydrophobicContact CG1-CB 4.07Å
504L88.6Confident89.4Confident5 Ų534.6 Ų34.63%0.02617%0.173CC..G310 helixtrans-57.2-25.1172.7-66.3165.6000112.9L500 Y501 P502 S509 A512 V516 I538 Y542L500-L504 PolarHBondContact O-N 2.98Å; Y501-L504 WeakPolarHBondContact O-CB 3.32Å; Y501-L504 PolarHBondContact O-N 3.29Å; P502-L504 VanDerWaalsContact C-N 3.28Å; P502-L504 PolarHBondContact O-N 3.48Å; L504-S509 WeakPolarHBondContact O-CB 3.44Å; L504-A512 HydrophobicContact CD2-CB 3.62Å; L504-A512 HydrophobicContact CG-CB 4.05Å; L504-V516 HydrophobicContact CD1-CG2 4.49Å; L504-V516 HydrophobicContact CD2-CG2 4.43Å; L504-I538 HydrophobicContact CD1-CG2 3.36Å; L504-Y542 HydrophobicContact CB-CD2 3.94Å; L504-Y542 HydrophobicContact CB-CE2 3.97Å; L504-Y542 VanDerWaalsContact O-CE2 3.31Å; L504-Y542 WeakPolarHBondContact O-CE2 3.28Å
505F87.6Confident89.4Confident99 Ų9933.9 Ų33.943%0.43417%0.169SC..G310 helixtrans-99.921.1-179.6-52.9-88.1000112.6Y501 P502 V503 Y542 S545Y501-F505 HydrophobicContact CD2-CE2 4.12Å; Y501-F505 HydrophobicContact CE1-CE2 4.49Å; Y501-F505 AromaticContact CE2-CE2 3.7Å; Y501-F505 HydrophobicContact CE2-CE2 3.7Å; Y501-F505 HydrophobicContact CE2-CZ 4.1Å; Y501-F505 AromaticContact CZ-CE2 3.91Å; Y501-F505 WeakPolarHBondContact O-CD2 3.38Å; Y501-F505 WeakPolarHBondContact O-CE2 3.49Å; P502-F505 PolarHBondContact O-N 2.77Å; V503-F505 PolarHBondContact O-N 3.1Å; V503-F505 VanDerWaalsContact O-N 3.12Å; F505-Y542 HydrophobicContact CE1-CD2 4.2Å; F505-Y542 HydrophobicContact CZ-CD2 4.38Å; F505-S545 WeakPolarHBondContact CE1-OG 3.42Å
506T85.7Confident89.5Confident38 Ų3833.4 Ų33.423%0.23317%0.167CC..SBendtrans-119.1176.5176.470.70000111.3V503 H508 S509V503-T506 PolarHBondContact O-N 3.05Å; V503-T506 PolarHBondContact O-OG1 3.5Å; T506-H508 PolarHBondContact O-N 3.38Å; T506-H508 PolarHBondContact OG1-N 3.1Å; T506-S509 WeakPolarHBondContact O-CB 3.33Å; T506-S509 PolarHBondContact O-N 3.11Å
507E84.4Confident89.5Confident110 Ų11038.5 Ų38.551%0.51419%0.189SC..THydrogen-bonded Turntrans-48.3-18.9169.465.3-174.8150.300115.1K381 R384K381-E507 WeakPolarHBondContact CD-OE1 3.03Å; K381-E507 WeakPolarHBondContact CE-OE2 3.44Å; K381-E507 WeakPolarHBondContact CG-OE1 3.29Å; K381-E507 IonicContact NZ-OE1 2.58Å; K381-E507 IonicContact NZ-OE2 2.84Å; K381-E507 PolarHBondContact NZ-OE2 2.89Å; R384-E507 IonicContact NH2-OE1 2.64Å; R384-E507 PolarHBondContact NH2-OE1 2.91Å
508H85.6Confident89.5Confident13 Ų1338.6 Ų38.66%0.0619%0.19CC..THydrogen-bonded Turntrans-100.120178.8-64.8-35.6000114.1K381 I385 V503 T506 D510 L511 A512K381-H508 WeakPolarHBondContact CG-NE2 3.4Å; I385-H508 VanDerWaalsContact CG1-NE2 3.31Å; I385-H508 WeakPolarHBondContact CG1-NE2 3.27Å; V503-H508 HydrophobicContact CG1-CB 3.99Å; T506-H508 PolarHBondContact O-N 3.38Å; T506-H508 PolarHBondContact OG1-N 3.1Å; H508-D510 PolarHBondContact O-N 3.31Å; H508-D510 VanDerWaalsContact O-N 3.16Å; H508-L511 PolarHBondContact O-N 2.84Å; H508-L511 VanDerWaalsContact O-N 3.12Å; H508-A512 PolarHBondContact O-N 2.9Å
509S88.1Confident89.7Confident24 Ų2435.4 Ų35.417%0.16818%0.176CC..Hα-helixtrans-49.9-41.4-179.169.60000113.4L504 T506 A512 C513 Y542L504-S509 WeakPolarHBondContact O-CB 3.44Å; T506-S509 WeakPolarHBondContact O-CB 3.33Å; T506-S509 PolarHBondContact O-N 3.11Å; S509-A512 PolarHBondContact O-N 2.79Å; S509-C513 WeakPolarHBondContact O-CB 3.19Å; S509-C513 PolarHBondContact O-N 3.21Å; S509-C513 PolarHBondContact O-SG 3.09Å; S509-Y542 WeakPolarHBondContact CB-OH 3.31Å
510D88.6Confident89.9Confident112 Ų11237.9 Ų37.960%0.59919%0.185SC*.Hα-helixtrans-70.5-39.9-178.8-63.6-28000112.8H508 C513 E514H508-D510 PolarHBondContact O-N 3.31Å; H508-D510 VanDerWaalsContact O-N 3.16Å; D510-C513 WeakPolarHBondContact O-CB 3.4Å; D510-C513 PolarHBondContact O-N 3.03Å; D510-E514 PolarHBondContact O-N 3.4Å
511L89.3Confident89.9Confident42 Ų4239 Ų3922%0.2220%0.195CC..Hα-helixtrans-67.5-38174.1-62.3-176.7000111.5I385 C388 M405 H508 E514 G515I385-L511 HydrophobicContact CG1-CD1 4.43Å; I385-L511 HydrophobicContact CG2-CD1 4.42Å; C388-L511 HydrophobicContact CB-CB 3.99Å; M405-L511 HydrophobicContact CE-CD1 4.14Å; M405-L511 HydrophobicContact CE-CD2 3.79Å; M405-L511 HydrophobicContact CE-CG 4.49Å; M405-L511 HydrophobicContact CG-CD2 4.48Å; M405-L511 HydrophobicContact SD-CD1 4.37Å; M405-L511 HydrophobicContact SD-CD2 3.81Å; H508-L511 PolarHBondContact O-N 2.84Å; H508-L511 VanDerWaalsContact O-N 3.12Å; L511-E514 PolarHBondContact O-N 3.28Å; L511-G515 PolarHBondContact O-N 2.83Å
512A91.1Very high89.8Confident0 Ų035.5 Ų35.50%018%0.181CC..Hα-helixtrans-67-37.6173.800000111.6V503 L504 H508 S509 G515 V516V503-A512 HydrophobicContact CB-CB 4.24Å; V503-A512 HydrophobicContact CG1-CB 4.07Å; L504-A512 HydrophobicContact CD2-CB 3.62Å; L504-A512 HydrophobicContact CG-CB 4.05Å; H508-A512 PolarHBondContact O-N 2.9Å; S509-A512 PolarHBondContact O-N 2.79Å; A512-G515 PolarHBondContact O-N 3.34Å; A512-V516 WeakPolarHBondContact O-CG2 3.32Å; A512-V516 PolarHBondContact O-N 2.83Å
513C91.8Very high90.1Very high25 Ų2534.7 Ų34.717%0.16918%0.176CC..Hα-helixtrans-59.5-46.9171.6-690000112S509 D510 G515 V516 K517 Y542S509-C513 WeakPolarHBondContact O-CB 3.19Å; S509-C513 PolarHBondContact O-N 3.21Å; S509-C513 PolarHBondContact O-SG 3.09Å; D510-C513 WeakPolarHBondContact O-CB 3.4Å; D510-C513 PolarHBondContact O-N 3.03Å; C513-G515 VanDerWaalsContact C-N 3.32Å; C513-G515 PolarHBondContact O-N 3.33Å; C513-V516 PolarHBondContact O-N 3.5Å; C513-K517 VanDerWaalsContact O-CG 3.32Å; C513-K517 WeakPolarHBondContact O-CG 3.42Å; C513-K517 PolarHBondContact O-N 3.28Å; C513-Y542 WeakPolarHBondContact SG-CE1 3.44Å; C513-Y542 PolarHBondContact SG-OH 2.7Å
514E90.3Very high90.2Very high52 Ų5238.7 Ų38.724%0.24320%0.2CC..Hα-helixtrans-65.6-34.5176.4-71.6-53.3131.100112.8Y401 D510 L511 K517 S518Y401-E514 VanDerWaalsContact CE1-OE2 3.27Å; Y401-E514 WeakPolarHBondContact CE1-OE2 3.38Å; Y401-E514 PolarHBondContact OH-OE2 2.87Å; D510-E514 PolarHBondContact O-N 3.4Å; L511-E514 PolarHBondContact O-N 3.28Å; E514-K517 WeakPolarHBondContact OE1-CD 3.45Å; E514-K517 WeakPolarHBondContact OE1-CE 3.46Å; E514-K517 IonicContact OE1-NZ 2.7Å; E514-K517 PolarHBondContact OE1-NZ 2.93Å; E514-S518 VanDerWaalsContact O-CB 3.29Å; E514-S518 WeakPolarHBondContact O-CB 3.49Å; E514-S518 PolarHBondContact O-N 3.15Å; E514-S518 PolarHBondContact O-OG 3.13Å
515G91.6Very high90.3Very high0 Ų043.9 Ų43.90%022%0.22CC..Hα-helixtrans-59.7-50.6169.400000112.1L511 A512 C513 S518 L519L511-G515 PolarHBondContact O-N 2.83Å; A512-G515 PolarHBondContact O-N 3.34Å; C513-G515 VanDerWaalsContact C-N 3.32Å; C513-G515 PolarHBondContact O-N 3.33Å; G515-S518 WeakPolarHBondContact O-CB 3.18Å; G515-S518 PolarHBondContact O-N 3.02Å; G515-L519 WeakPolarHBondContact O-CG 3.42Å; G515-L519 PolarHBondContact O-N 3.47Å
516V93.7Very high90.4Very high7 Ų741.5 Ų41.54%0.04221%0.21CC..Hα-helixtrans-62.7-42.9177.8172.50000111.6L497 L500 L504 A512 C513 S518 L519 K520 I535L497-V516 HydrophobicContact CD2-CG2 4.31Å; L500-V516 HydrophobicContact CD1-CG2 4.37Å; L504-V516 HydrophobicContact CD1-CG2 4.49Å; L504-V516 HydrophobicContact CD2-CG2 4.43Å; A512-V516 WeakPolarHBondContact O-CG2 3.32Å; A512-V516 PolarHBondContact O-N 2.83Å; C513-V516 PolarHBondContact O-N 3.5Å; V516-S518 VanDerWaalsContact C-N 3.33Å; V516-S518 PolarHBondContact O-N 3.48Å; V516-L519 PolarHBondContact O-N 2.91Å; V516-K520 WeakPolarHBondContact O-CB 3.42Å; V516-K520 PolarHBondContact O-N 2.83Å; V516-I535 HydrophobicContact CG1-CG2 4Å
517K93.3Very high90.7Very high108 Ų10846.5 Ų46.547%0.4723%0.234SC..Hα-helixtrans-59.1-42.4173.6-72.1172.2-170.1173.60112C513 E514 K520 A521C513-K517 VanDerWaalsContact O-CG 3.32Å; C513-K517 WeakPolarHBondContact O-CG 3.42Å; C513-K517 PolarHBondContact O-N 3.28Å; E514-K517 WeakPolarHBondContact OE1-CD 3.45Å; E514-K517 WeakPolarHBondContact OE1-CE 3.46Å; E514-K517 IonicContact OE1-NZ 2.7Å; E514-K517 PolarHBondContact OE1-NZ 2.93Å; K517-K520 WeakPolarHBondContact O-CB 3.24Å; K517-K520 PolarHBondContact O-N 2.97Å; K517-A521 PolarHBondContact O-N 2.91Å
518S91.6Very high91Very high1 Ų143 Ų431%0.00722%0.216CC..Hα-helixtrans-65-42.3177.9-69.80000112.6N395 E514 G515 V516 R522N395-S518 PolarHBondContact ND2-OG 2.98Å; N395-S518 VanDerWaalsContact ND2-OG 3.11Å; E514-S518 VanDerWaalsContact O-CB 3.29Å; E514-S518 WeakPolarHBondContact O-CB 3.49Å; E514-S518 PolarHBondContact O-N 3.15Å; E514-S518 PolarHBondContact O-OG 3.13Å; G515-S518 WeakPolarHBondContact O-CB 3.18Å; G515-S518 PolarHBondContact O-N 3.02Å; V516-S518 VanDerWaalsContact C-N 3.33Å; V516-S518 PolarHBondContact O-N 3.48Å; S518-R522 PolarHBondContact O-N 3.18Å
519L93.4Very high91.3Very high0 Ų046.8 Ų46.80%024%0.244CC..Hα-helixtrans-68.8-34.2173.8-64.6179.3000112.1A391 F394 V493 I496 L497 L500 G515 V516 R522 A523 I535A391-L519 HydrophobicContact CB-CD1 4.04Å; A391-L519 HydrophobicContact CB-CG 4.17Å; F394-L519 HydrophobicContact CB-CD2 4.23Å; F394-L519 HydrophobicContact CD2-CD2 4.17Å; V493-L519 HydrophobicContact CG1-CB 4.34Å; V493-L519 HydrophobicContact CG1-CD1 4.2Å; V493-L519 HydrophobicContact CG1-CD2 3.93Å; V493-L519 HydrophobicContact CG1-CG 4.37Å; I496-L519 HydrophobicContact CB-CD1 4.5Å; I496-L519 HydrophobicContact CG2-CD1 3.8Å; L497-L519 HydrophobicContact CD2-CB 4.5Å; L497-L519 HydrophobicContact CD2-CD1 3.75Å; L497-L519 HydrophobicContact CG-CD1 3.99Å; L500-L519 HydrophobicContact CD1-CD1 3.74Å; G515-L519 WeakPolarHBondContact O-CG 3.42Å; G515-L519 PolarHBondContact O-N 3.47Å; V516-L519 PolarHBondContact O-N 2.91Å; L519-R522 PolarHBondContact O-N 3.4Å; L519-A523 VanDerWaalsContact O-CB 3.31Å; L519-A523 WeakPolarHBondContact O-CB 3.29Å; L519-A523 PolarHBondContact O-N 3.42Å; L519-I535 HydrophobicContact CB-CD1 4.23Å
520K93.8Very high91.2Very high63 Ų6348 Ų4827%0.27425%0.249SC..Hα-helixtrans-63.5-49173.4-171171.8179.7169.80111.3V516 K517 R522 A523 T524 L532 I535 E539V516-K520 WeakPolarHBondContact O-CB 3.42Å; V516-K520 PolarHBondContact O-N 2.83Å; K517-K520 WeakPolarHBondContact O-CB 3.24Å; K517-K520 PolarHBondContact O-N 2.97Å; K520-R522 PolarHBondContact O-N 2.89Å; K520-A523 PolarHBondContact O-N 2.99Å; K520-T524 WeakPolarHBondContact O-CB 3.41Å; K520-T524 PolarHBondContact O-N 3.21Å; K520-T524 PolarHBondContact O-OG1 3.34Å; K520-T524 VanDerWaalsContact O-OG1 3.06Å; K520-L532 HydrophobicContact CG-CD2 4.5Å; K520-I535 HydrophobicContact CB-CD1 4.01Å; K520-I535 HydrophobicContact CB-CG2 4.03Å; K520-I535 HydrophobicContact CD-CG2 3.84Å; K520-I535 HydrophobicContact CG-CG2 4Å; K520-E539 VanDerWaalsContact CD-OE1 3.26Å; K520-E539 WeakPolarHBondContact CD-OE1 3.26Å; K520-E539 IonicContact NZ-OE1 3.6Å; K520-E539 PolarHBondContact NZ-OE1 2.86Å; K520-E539 IonicContact NZ-OE2 2.8Å; K520-E539 PolarHBondContact NZ-OE2 3.32Å
521A91Very high91.2Very high24 Ų2442.7 Ų42.720%0.19822%0.22CC..Hα-helixtrans-56.1-40173.900000111.5P396 F397 K517 Y525P396-A521 HydrophobicContact CG-CB 4.45Å; F397-A521 HydrophobicContact CD2-CB 4.08Å; F397-A521 HydrophobicContact CE2-CB 4.12Å; K517-A521 PolarHBondContact O-N 2.91Å; A521-Y525 WeakPolarHBondContact O-CB 3.38Å; A521-Y525 PolarHBondContact O-N 3.03Å; A521-Y525 VanDerWaalsContact O-N 3.14Å
522R91.4Very high91.4Very high2 Ų242.4 Ų42.41%0.00822%0.219CC..Hα-helixtrans-68.7-46.3175.8-172.652.8179.1-100.84.6113.2F394 V485 S518 L519 K520 T524 Y525 E526 W528F394-R522 PolarHBondContact O-NH1 3.22Å; V485-R522 PolarHBondContact O-NH2 2.82Å; S518-R522 PolarHBondContact O-N 3.18Å; L519-R522 PolarHBondContact O-N 3.4Å; K520-R522 PolarHBondContact O-N 2.89Å; R522-T524 VanDerWaalsContact C-N 3.33Å; R522-T524 PolarHBondContact O-N 3.49Å; R522-Y525 WeakPolarHBondContact O-CB 3.38Å; R522-Y525 PolarHBondContact O-N 2.91Å; R522-E526 HydrophobicContact CG-CG 4.29Å; R522-E526 IonicContact CZ-OE1 2.86Å; R522-E526 IonicContact NE-OE1 2.65Å; R522-E526 PolarHBondContact NE-OE1 3.48Å; R522-E526 IonicContact NH2-OE1 2.7Å; R522-E526 PolarHBondContact NH2-OE1 3.23Å; R522-E526 VanDerWaalsContact O-CG 3.31Å; R522-E526 WeakPolarHBondContact O-CG 3.14Å; R522-E526 PolarHBondContact O-N 3.34Å; R522-W528 HydrophobicContact CG-CH2 4.33Å; R522-W528 HydrophobicContact CG-CZ3 3.95Å
523A92.3Very high91.4Very high0 Ų048.1 Ų48.10%025%0.249CC..Hα-helixtrans-66.5-34.3-178.800000112.4L519 K520 I527 W528 V531 L532 I535L519-A523 VanDerWaalsContact O-CB 3.31Å; L519-A523 WeakPolarHBondContact O-CB 3.29Å; L519-A523 PolarHBondContact O-N 3.42Å; K520-A523 PolarHBondContact O-N 2.99Å; A523-I527 WeakPolarHBondContact O-CA 3.28Å; A523-I527 PolarHBondContact O-N 2.94Å; A523-W528 HydrophobicContact CB-CB 4.31Å; A523-W528 HydrophobicContact CB-CE3 4.3Å; A523-W528 PolarHBondContact O-N 2.95Å; A523-V531 HydrophobicContact CB-CB 3.98Å; A523-V531 HydrophobicContact CB-CG1 3.59Å; A523-L532 HydrophobicContact CB-CD2 3.76Å; A523-L532 HydrophobicContact CB-CG 3.85Å; A523-I535 HydrophobicContact CB-CD1 4.48Å
524T91.7Very high91.3Very high87 Ų8748.8 Ų48.853%0.53425%0.25SS..Hα-helixtrans-66.1-43.1170.5-59.60000111.5K520 R522 E526 I527K520-T524 WeakPolarHBondContact O-CB 3.41Å; K520-T524 PolarHBondContact O-N 3.21Å; K520-T524 PolarHBondContact O-OG1 3.34Å; K520-T524 VanDerWaalsContact O-OG1 3.06Å; R522-T524 VanDerWaalsContact C-N 3.33Å; R522-T524 PolarHBondContact O-N 3.49Å; T524-E526 PolarHBondContact O-N 2.92Å; T524-I527 PolarHBondContact O-N 3.45Å
525Y90Very high91.4Very high115 Ų11546.3 Ų46.345%0.45124%0.239SC..Hα-helixtrans-63.9-39.6178.3-174.9-73.2000112.3P396 F397 R484 A521 R522P396-Y525 HydrophobicContact CB-CD2 4.16Å; P396-Y525 HydrophobicContact CB-CG 4.24Å; P396-Y525 HydrophobicContact CG-CD2 4.35Å; P396-Y525 HydrophobicContact CG-CG 4.3Å; F397-Y525 HydrophobicContact CE1-CD2 4.39Å; F397-Y525 HydrophobicContact CZ-CD2 4.18Å; R484-Y525 VanDerWaalsContact NH1-CE1 3.26Å; R484-Y525 PolarHBondContact NH1-OH 3.48Å; A521-Y525 WeakPolarHBondContact O-CB 3.38Å; A521-Y525 PolarHBondContact O-N 3.03Å; A521-Y525 VanDerWaalsContact O-N 3.14Å; R522-Y525 WeakPolarHBondContact O-CB 3.38Å; R522-Y525 PolarHBondContact O-N 2.91Å
526E89.7Confident91.4Very high48 Ų4849.6 Ų49.622%0.22426%0.256CS..Hα-helixtrans-91.4-3.1-178.1-57.9-79.8-160.200113.8R484 R522 T524 W528R484-E526 IonicContact CZ-OE1 2.93Å; R484-E526 IonicContact CZ-OE2 3.92Å; R484-E526 IonicContact NE-OE1 3.17Å; R484-E526 PolarHBondContact NE-OE1 3.19Å; R484-E526 IonicContact NH2-OE1 2.76Å; R484-E526 PolarHBondContact NH2-OE1 3.41Å; R484-E526 IonicContact NH2-OE2 3.39Å; R484-E526 PolarHBondContact NH2-OE2 2.95Å; R522-E526 HydrophobicContact CG-CG 4.29Å; R522-E526 IonicContact CZ-OE1 2.86Å; R522-E526 IonicContact NE-OE1 2.65Å; R522-E526 PolarHBondContact NE-OE1 3.48Å; R522-E526 IonicContact NH2-OE1 2.7Å; R522-E526 PolarHBondContact NH2-OE1 3.23Å; R522-E526 VanDerWaalsContact O-CG 3.31Å; R522-E526 WeakPolarHBondContact O-CG 3.14Å; R522-E526 PolarHBondContact O-N 3.34Å; T524-E526 PolarHBondContact O-N 2.92Å; E526-W528 VanDerWaalsContact C-N 3.32Å; E526-W528 HydrophobicContact CB-CD2 3.64Å; E526-W528 HydrophobicContact CB-CE3 4.19Å; E526-W528 HydrophobicContact CB-CG 3.97Å; E526-W528 HydrophobicContact CB-CH2 4.29Å; E526-W528 HydrophobicContact CB-CZ2 3.75Å; E526-W528 HydrophobicContact CB-CZ3 4.48Å; E526-W528 HydrophobicContact CG-CD2 4.27Å; E526-W528 HydrophobicContact CG-CE3 4.45Å; E526-W528 HydrophobicContact CG-CH2 3.87Å; E526-W528 HydrophobicContact CG-CZ2 3.65Å; E526-W528 HydrophobicContact CG-CZ3 4.25Å; E526-W528 PolarHBondContact O-N 3.49Å
527I92.3Very high91.2Very high144 Ų14452.3 Ų52.374%0.73828%0.276SS*.THydrogen-bonded Turntrans58.539.2-178.3-38.5179.2000112.4A523 T524 S529A523-I527 WeakPolarHBondContact O-CA 3.28Å; A523-I527 PolarHBondContact O-N 2.94Å; T524-I527 PolarHBondContact O-N 3.45Å; I527-S529 PolarHBondContact O-N 3.35Å
528W91Very high91.2Very high37 Ų3747.6 Ų47.614%0.1426%0.255CS..  trans-80.887.9178.2-65.6-23000111.9L488 V493 R522 A523 E526 N530 V531 L532L488-W528 HydrophobicContact CB-CH2 4.14Å; L488-W528 HydrophobicContact CD2-CH2 4.05Å; L488-W528 HydrophobicContact CD2-CZ3 4.44Å; L488-W528 HydrophobicContact CG-CH2 4.12Å; L488-W528 VanDerWaalsContact O-CZ2 3.29Å; L488-W528 WeakPolarHBondContact O-CZ2 3.33Å; V493-W528 HydrophobicContact CB-CZ3 4.38Å; V493-W528 HydrophobicContact CG2-CH2 4.42Å; V493-W528 HydrophobicContact CG2-CZ3 3.83Å; R522-W528 HydrophobicContact CG-CH2 4.33Å; R522-W528 HydrophobicContact CG-CZ3 3.95Å; A523-W528 HydrophobicContact CB-CB 4.31Å; A523-W528 HydrophobicContact CB-CE3 4.3Å; A523-W528 PolarHBondContact O-N 2.95Å; E526-W528 VanDerWaalsContact C-N 3.32Å; E526-W528 HydrophobicContact CB-CD2 3.64Å; E526-W528 HydrophobicContact CB-CE3 4.19Å; E526-W528 HydrophobicContact CB-CG 3.97Å; E526-W528 HydrophobicContact CB-CH2 4.29Å; E526-W528 HydrophobicContact CB-CZ2 3.75Å; E526-W528 HydrophobicContact CB-CZ3 4.48Å; E526-W528 HydrophobicContact CG-CD2 4.27Å; E526-W528 HydrophobicContact CG-CE3 4.45Å; E526-W528 HydrophobicContact CG-CH2 3.87Å; E526-W528 HydrophobicContact CG-CZ2 3.65Å; E526-W528 HydrophobicContact CG-CZ3 4.25Å; E526-W528 PolarHBondContact O-N 3.49Å; W528-N530 VanDerWaalsContact C-N 3.34Å; W528-N530 PolarHBondContact O-N 2.83Å; W528-V531 HydrophobicContact CB-CB 3.89Å; W528-V531 HydrophobicContact CB-CG2 3.92Å; W528-V531 HydrophobicContact CE3-CG2 4.23Å; W528-V531 PolarHBondContact O-N 2.77Å; W528-L532 WeakPolarHBondContact O-CG 3.38Å; W528-L532 PolarHBondContact O-N 3.43Å
529S90.4Very high91.1Very high91 Ų9150.2 Ų50.264%0.63627%0.268SS*.Hα-helixtrans-53.6-44-179.158.30000113.7I527 L532 L533I527-S529 PolarHBondContact O-N 3.35Å; S529-L532 PolarHBondContact O-N 2.89Å; S529-L533 WeakPolarHBondContact O-CB 3.35Å; S529-L533 PolarHBondContact O-N 2.91Å
530N86.2Confident90.9Very high50 Ų5057.7 Ų57.727%0.26730%0.3SS..Hα-helixtrans-63.6-43.4178.465.1-28.2000112.7W528 L534W528-N530 VanDerWaalsContact C-N 3.34Å; W528-N530 PolarHBondContact O-N 2.83Å; N530-L534 PolarHBondContact O-N 3.48Å
531V90.2Very high90.6Very high0 Ų057.4 Ų57.40%030%0.301CS..Hα-helixtrans-68.6-43.81781790000110.6V493 L497 A523 W528 L533 L534 I535V493-V531 HydrophobicContact CG1-CG1 3.71Å; V493-V531 HydrophobicContact CG1-CG2 4.4Å; L497-V531 HydrophobicContact CD1-CG1 3.71Å; A523-V531 HydrophobicContact CB-CB 3.98Å; A523-V531 HydrophobicContact CB-CG1 3.59Å; W528-V531 HydrophobicContact CB-CB 3.89Å; W528-V531 HydrophobicContact CB-CG2 3.92Å; W528-V531 HydrophobicContact CE3-CG2 4.23Å; W528-V531 PolarHBondContact O-N 2.77Å; V531-L533 VanDerWaalsContact C-N 3.35Å; V531-L533 PolarHBondContact O-N 3.21Å; V531-L534 PolarHBondContact O-N 3Å; V531-I535 HydrophobicContact CG1-CD1 3.9Å; V531-I535 HydrophobicContact CG1-CG1 4.45Å; V531-I535 WeakPolarHBondContact O-CG1 3.49Å; V531-I535 PolarHBondContact O-N 3.46Å
532L92.3Very high90.4Very high37 Ų3757.5 Ų57.519%0.19430%0.297CS..Hα-helixtrans-62.3-39.8177-72.2171000112.2K520 A523 W528 S529 I535 N536K520-L532 HydrophobicContact CG-CD2 4.5Å; A523-L532 HydrophobicContact CB-CD2 3.76Å; A523-L532 HydrophobicContact CB-CG 3.85Å; W528-L532 WeakPolarHBondContact O-CG 3.38Å; W528-L532 PolarHBondContact O-N 3.43Å; S529-L532 PolarHBondContact O-N 2.89Å; L532-I535 PolarHBondContact O-N 2.9Å; L532-N536 WeakPolarHBondContact O-CB 3.38Å; L532-N536 PolarHBondContact O-N 2.92Å; L532-N536 PolarHBondContact O-ND2 3.42Å
533L91Very high90.1Very high119 Ų11961.8 Ų61.862%0.62332%0.324SS*.Hα-helixtrans-62.1-42.9175.5-178.463.7000111.9S529 V531 S537S529-L533 WeakPolarHBondContact O-CB 3.35Å; S529-L533 PolarHBondContact O-N 2.91Å; V531-L533 VanDerWaalsContact C-N 3.35Å; V531-L533 PolarHBondContact O-N 3.21Å; L533-S537 PolarHBondContact O-N 3.08Å; L533-S537 VanDerWaalsContact O-N 3.13Å; L533-S537 PolarHBondContact O-OG 2.82Å
534L90.5Very high89.4Confident39 Ų3967.2 Ų67.220%0.20434%0.344CS..Hα-helixtrans-65.3-46.8176.4-179.958000111.3T494 L497 F498 N530 V531 N536 S537 I538T494-L534 HydrophobicContact CG2-CD2 3.89Å; L497-L534 HydrophobicContact CB-CD2 3.79Å; L497-L534 HydrophobicContact CB-CG 4.46Å; L497-L534 HydrophobicContact CD1-CD2 3.95Å; L497-L534 HydrophobicContact CD1-CG 4.28Å; F498-L534 HydrophobicContact CD1-CD2 4.13Å; F498-L534 HydrophobicContact CE1-CD1 4.16Å; F498-L534 HydrophobicContact CE1-CD2 3.76Å; F498-L534 HydrophobicContact CZ-CD2 4.35Å; N530-L534 PolarHBondContact O-N 3.48Å; V531-L534 PolarHBondContact O-N 3Å; L534-N536 PolarHBondContact O-N 3.46Å; L534-S537 WeakPolarHBondContact O-CB 3.48Å; L534-S537 PolarHBondContact O-N 2.93Å; L534-S537 VanDerWaalsContact O-N 3.08Å; L534-I538 HydrophobicContact CD1-CD1 4.12Å; L534-I538 HydrophobicContact CD1-CG1 4.32Å; L534-I538 HydrophobicContact CG-CD1 3.94Å; L534-I538 WeakPolarHBondContact O-CG1 3.36Å; L534-I538 PolarHBondContact O-N 3.27Å
535I92.5Very high88.8Confident0 Ų065.7 Ų65.70%034%0.337CS..Hα-helixtrans-59-47.6177.3-70.8174.4000111.4L497 V516 L519 K520 A523 V531 L532 S537 I538 E539L497-I535 HydrophobicContact CD1-CD1 4.06Å; L497-I535 HydrophobicContact CD1-CG1 3.6Å; L497-I535 HydrophobicContact CD2-CD1 4.33Å; L497-I535 HydrophobicContact CD2-CG1 3.83Å; L497-I535 HydrophobicContact CG-CG1 4.4Å; V516-I535 HydrophobicContact CG1-CG2 4Å; L519-I535 HydrophobicContact CB-CD1 4.23Å; K520-I535 HydrophobicContact CB-CD1 4.01Å; K520-I535 HydrophobicContact CB-CG2 4.03Å; K520-I535 HydrophobicContact CD-CG2 3.84Å; K520-I535 HydrophobicContact CG-CG2 4Å; A523-I535 HydrophobicContact CB-CD1 4.48Å; V531-I535 HydrophobicContact CG1-CD1 3.9Å; V531-I535 HydrophobicContact CG1-CG1 4.45Å; V531-I535 WeakPolarHBondContact O-CG1 3.49Å; V531-I535 PolarHBondContact O-N 3.46Å; L532-I535 PolarHBondContact O-N 2.9Å; I535-S537 PolarHBondContact O-N 3.06Å; I535-I538 PolarHBondContact O-N 3.29Å; I535-E539 HydrophobicContact CG2-CG 4.3Å; I535-E539 WeakPolarHBondContact O-CG 3.29Å; I535-E539 PolarHBondContact O-N 2.96Å
536N90.4Very high88Confident69 Ų6966.2 Ų66.237%0.36934%0.342SS..Hα-helixtrans-62.4-26.2177.6-70.7-24000112.6L532 L534 K540L532-N536 WeakPolarHBondContact O-CB 3.38Å; L532-N536 PolarHBondContact O-N 2.92Å; L532-N536 PolarHBondContact O-ND2 3.42Å; L534-N536 PolarHBondContact O-N 3.46Å; N536-K540 WeakPolarHBondContact O-CD 3.44Å; N536-K540 VanDerWaalsContact O-CG 3.25Å; N536-K540 WeakPolarHBondContact O-CG 3.45Å; N536-K540 PolarHBondContact O-N 3.44Å
537S91.2Very high86.6Confident65 Ų6565.9 Ų65.946%0.45535%0.345SS..Hα-helixtrans-76.4-45.3174.4-55.60000111L533 L534 I535 K540 D541L533-S537 PolarHBondContact O-N 3.08Å; L533-S537 VanDerWaalsContact O-N 3.13Å; L533-S537 PolarHBondContact O-OG 2.82Å; L534-S537 WeakPolarHBondContact O-CB 3.48Å; L534-S537 PolarHBondContact O-N 2.93Å; L534-S537 VanDerWaalsContact O-N 3.08Å; I535-S537 PolarHBondContact O-N 3.06Å; S537-K540 PolarHBondContact O-N 2.93Å; S537-D541 PolarHBondContact O-N 3.17Å
538I91.4Very high84.8Confident8 Ų864.4 Ų64.44%0.04135%0.345CS..Hα-helixtrans-59.2-46.7175.5-69.4170.1000111.1L497 Y501 L504 L534 I535 K540 D541 Y542L497-I538 HydrophobicContact CB-CD1 4.26Å; L497-I538 HydrophobicContact CD2-CD1 4.28Å; Y501-I538 HydrophobicContact CD2-CB 4.41Å; Y501-I538 HydrophobicContact CD2-CD1 4.44Å; Y501-I538 HydrophobicContact CD2-CG1 3.83Å; Y501-I538 HydrophobicContact CD2-CG2 4.1Å; Y501-I538 HydrophobicContact CG-CG1 4.5Å; L504-I538 HydrophobicContact CD1-CG2 3.36Å; L534-I538 HydrophobicContact CD1-CD1 4.12Å; L534-I538 HydrophobicContact CD1-CG1 4.32Å; L534-I538 HydrophobicContact CG-CD1 3.94Å; L534-I538 WeakPolarHBondContact O-CG1 3.36Å; L534-I538 PolarHBondContact O-N 3.27Å; I535-I538 PolarHBondContact O-N 3.29Å; I538-K540 PolarHBondContact O-N 2.96Å; I538-D541 PolarHBondContact O-N 3.29Å; I538-Y542 VanDerWaalsContact O-CB 3.29Å; I538-Y542 WeakPolarHBondContact O-CB 3.32Å; I538-Y542 PolarHBondContact O-N 2.8Å
539E90.6Very high82.7Confident57 Ų5768.7 Ų68.727%0.26637%0.37SS..Hα-helixtrans-62.4-39.7178.7-74.4-179.8156.400112.5K520 I535 T543K520-E539 VanDerWaalsContact CD-OE1 3.26Å; K520-E539 WeakPolarHBondContact CD-OE1 3.26Å; K520-E539 IonicContact NZ-OE1 3.6Å; K520-E539 PolarHBondContact NZ-OE1 2.86Å; K520-E539 IonicContact NZ-OE2 2.8Å; K520-E539 PolarHBondContact NZ-OE2 3.32Å; I535-E539 HydrophobicContact CG2-CG 4.3Å; I535-E539 WeakPolarHBondContact O-CG 3.29Å; I535-E539 PolarHBondContact O-N 2.96Å; E539-T543 WeakPolarHBondContact O-CB 3.42Å; E539-T543 VanDerWaalsContact O-CG2 3.28Å; E539-T543 WeakPolarHBondContact O-CG2 3.37Å; E539-T543 PolarHBondContact O-N 2.84Å; E539-T543 PolarHBondContact O-OG1 2.95Å
540K88.2Confident80.5Confident157 Ų15768.9 Ų68.968%0.68336%0.364SS*.Hα-helixtrans-66.4-41.1176.2-78.3175.4-179.5-177.60112.4N536 S537 I538 T543 R544N536-K540 WeakPolarHBondContact O-CD 3.44Å; N536-K540 VanDerWaalsContact O-CG 3.25Å; N536-K540 WeakPolarHBondContact O-CG 3.45Å; N536-K540 PolarHBondContact O-N 3.44Å; S537-K540 PolarHBondContact O-N 2.93Å; I538-K540 PolarHBondContact O-N 2.96Å; K540-T543 WeakPolarHBondContact CA-OG1 3.48Å; K540-T543 PolarHBondContact O-OG1 3.23Å; K540-T543 VanDerWaalsContact O-OG1 3.05Å; K540-R544 VanDerWaalsContact O-CB 3.29Å; K540-R544 WeakPolarHBondContact O-CB 3.45Å; K540-R544 PolarHBondContact O-N 2.96Å
541D87.6Confident78.4Confident56 Ų5672 Ų7230%0.29938%0.375SS..Hα-helixtrans-71.7-41.5-179-161.652.9000111.6Y501 S537 I538 R544 S545Y501-D541 PolarHBondContact OH-OD2 2.85Å; S537-D541 PolarHBondContact O-N 3.17Å; I538-D541 PolarHBondContact O-N 3.29Å; D541-R544 WeakPolarHBondContact O-CB 3.26Å; D541-R544 PolarHBondContact O-N 3.37Å; D541-S545 PolarHBondContact O-N 3.36Å
542Y87.3Confident75.7Confident27 Ų2777.6 Ų77.611%0.10640%0.404CS..Hα-helixtrans-69.8-34.3176.7-177.7-114.3000113.7L504 F505 S509 C513 I538 S545 K546L504-Y542 HydrophobicContact CB-CD2 3.94Å; L504-Y542 HydrophobicContact CB-CE2 3.97Å; L504-Y542 VanDerWaalsContact O-CE2 3.31Å; L504-Y542 WeakPolarHBondContact O-CE2 3.28Å; F505-Y542 HydrophobicContact CE1-CD2 4.2Å; F505-Y542 HydrophobicContact CZ-CD2 4.38Å; S509-Y542 WeakPolarHBondContact CB-OH 3.31Å; C513-Y542 WeakPolarHBondContact SG-CE1 3.44Å; C513-Y542 PolarHBondContact SG-OH 2.7Å; I538-Y542 VanDerWaalsContact O-CB 3.29Å; I538-Y542 WeakPolarHBondContact O-CB 3.32Å; I538-Y542 PolarHBondContact O-N 2.8Å; Y542-S545 PolarHBondContact O-OG 3.36Å; Y542-K546 HydrophobicContact CE1-CD 4.13Å; Y542-K546 HydrophobicContact CE2-CD 4.4Å; Y542-K546 VanDerWaalsContact CZ-CE 3.48Å; Y542-K546 PolarHBondContact O-N 2.63Å; Y542-K546 WeakPolarHBondContact OH-CE 3.25Å; Y542-K546 PolarHBondContact OH-NZ 3.22Å
543T84.3Confident73.1Confident92 Ų9280.6 Ų80.656%0.56442%0.42SS*.Hα-helixtrans-68.9-37.217146.40000111.3E539 K540 K546 S547E539-T543 WeakPolarHBondContact O-CB 3.42Å; E539-T543 VanDerWaalsContact O-CG2 3.28Å; E539-T543 WeakPolarHBondContact O-CG2 3.37Å; E539-T543 PolarHBondContact O-N 2.84Å; E539-T543 PolarHBondContact O-OG1 2.95Å; K540-T543 WeakPolarHBondContact CA-OG1 3.48Å; K540-T543 PolarHBondContact O-OG1 3.23Å; K540-T543 VanDerWaalsContact O-OG1 3.05Å; T543-K546 PolarHBondContact O-N 3.42Å; T543-S547 PolarHBondContact O-N 3.44Å; T543-S547 VanDerWaalsContact O-N 3.08Å
544R78.9Confident70.4Confident113 Ų11382.8 Ų82.843%0.42642%0.424SS..Hα-helixtrans-63.5-43.3173.4-177.3-177-179.8-167-1.8112.3K540 D541 K546 S547K540-R544 VanDerWaalsContact O-CB 3.29Å; K540-R544 WeakPolarHBondContact O-CB 3.45Å; K540-R544 PolarHBondContact O-N 2.96Å; D541-R544 WeakPolarHBondContact O-CB 3.26Å; D541-R544 PolarHBondContact O-N 3.37Å; R544-K546 VanDerWaalsContact C-N 3.26Å; R544-K546 PolarHBondContact O-N 3.05Å; R544-S547 PolarHBondContact O-N 3.05Å; R544-S547 VanDerWaalsContact O-N 3.14Å; R544-S547 PolarHBondContact O-OG 3.3Å
545S79Confident67.5Low56 Ų5688.2 Ų88.239%0.39245%0.446SS..Hα-helixtrans-67-26.1177.968.30000113.5F505 D541 Y542F505-S545 WeakPolarHBondContact CE1-OG 3.42Å; D541-S545 PolarHBondContact O-N 3.36Å; Y542-S545 PolarHBondContact O-OG 3.36Å
546K72.6Confident64.7Low125 Ų12595.1 Ų95.154%0.54348%0.484SS..Hα-helixtrans-85.3-13.1172.8-77.3-171163.3-176.20114Y542 T543 R544Y542-K546 HydrophobicContact CE1-CD 4.13Å; Y542-K546 HydrophobicContact CE2-CD 4.4Å; Y542-K546 VanDerWaalsContact CZ-CE 3.48Å; Y542-K546 PolarHBondContact O-N 2.63Å; Y542-K546 WeakPolarHBondContact OH-CE 3.25Å; Y542-K546 PolarHBondContact OH-NZ 3.22Å; T543-K546 PolarHBondContact O-N 3.42Å; R544-K546 VanDerWaalsContact C-N 3.26Å; R544-K546 PolarHBondContact O-N 3.05Å
547S60.7Low62.1Low42 Ų42100.1 Ų100.129%0.29451%0.51SS..  trans-79128.2-179.971.10000111.3T543 R544 D549T543-S547 PolarHBondContact O-N 3.44Å; T543-S547 VanDerWaalsContact O-N 3.08Å; R544-S547 PolarHBondContact O-N 3.05Å; R544-S547 VanDerWaalsContact O-N 3.14Å; R544-S547 PolarHBondContact O-OG 3.3Å; S547-D549 PolarHBondContact O-N 3.24Å
548P53.6Low59.4Low113 Ų113106.8 Ų106.873%0.73453%0.525SS*.G310 helixtrans-67.7-14.7172.328.6-34.4000112.5L550P548-L550 PolarHBondContact O-N 3.05Å; P548-L550 VanDerWaalsContact O-N 3.16Å
549D47.4Very low56.6Low126 Ų126111.2 Ų111.267%0.67455%0.552SS**G310 helixtrans-80.417.6-176.3-65.3-32.9000114.8S547 K551 L552S547-D549 PolarHBondContact O-N 3.24Å; D549-K551 PolarHBondContact O-N 2.97Å; D549-L552 PolarHBondContact O-N 2.82Å
550L45Very low54.1Low96 Ų96113.5 Ų113.550%0.50357%0.565SS.*G310 helixtrans-57.8-8.7173.5-109.9155.3000113.9P548 L552P548-L550 PolarHBondContact O-N 3.05Å; P548-L550 VanDerWaalsContact O-N 3.16Å; L550-L552 VanDerWaalsContact C-N 3.3Å; L550-L552 PolarHBondContact O-N 3.17Å
551K41.3Very low51.4Low114 Ų114108.9 Ų108.950%0.49655%0.553SS.*G310 helixtrans-73.8-5.8172.3-72170173.1172.10114.4D549 E572D549-K551 PolarHBondContact O-N 2.97Å; K551-E572 IonicContact NZ-OE1 2.97Å; K551-E572 PolarHBondContact NZ-OE1 2.75Å; K551-E572 VanDerWaalsContact NZ-OE1 3.12Å
552L34.5Very low49Very low118 Ų118109.8 Ų109.862%0.61856%0.555SS**  trans-13268.3-175.3-107153.7000115.6D549 L550 K554D549-L552 PolarHBondContact O-N 2.82Å; L550-L552 VanDerWaalsContact C-N 3.3Å; L550-L552 PolarHBondContact O-N 3.17Å; L552-K554 HydrophobicContact CD2-CG 4.29Å; L552-K554 PolarHBondContact O-N 3.12Å; L552-K554 VanDerWaalsContact O-N 3.13Å
553L37.9Very low46.6Very low100 Ų100115.6 Ų115.652%0.52458%0.583SS.*  trans-71.795.9163-99.1163.2000111F555L553-F555 HydrophobicContact CD2-CD2 4.26Å; L553-F555 HydrophobicContact CD2-CE2 4.28Å; L553-F555 PolarHBondContact O-N 3.27Å
554K33.5Very low44.3Very low165 Ų165116.4 Ų116.472%0.71759%0.588SS**  trans-78.693.9166.2-76.5-175.4176.9177.40110.7L552L552-K554 HydrophobicContact CD2-CG 4.29Å; L552-K554 PolarHBondContact O-N 3.12Å; L552-K554 VanDerWaalsContact O-N 3.13Å
555F30.8Very low42.3Very low153 Ų153116 Ų11667%0.67159%0.594SS**  trans-86.8130.8157.2-101.9-90.4000109.5L553 N557 R558L553-F555 HydrophobicContact CD2-CD2 4.26Å; L553-F555 HydrophobicContact CD2-CE2 4.28Å; L553-F555 PolarHBondContact O-N 3.27Å; F555-N557 PolarHBondContact O-N 3.18Å; F555-R558 PolarHBondContact O-N 3.2Å
556D32Very low40.2Very low146 Ų146118.1 Ų118.178%0.78160%0.601SS**THydrogen-bonded Turntrans16.581.6171.6-68.8-33.6000117R558D556-R558 PolarHBondContact O-N 2.96Å
557N37.4Very low38.2Very low174 Ų174118.8 Ų118.893%0.9361%0.61SS**THydrogen-bonded Turntrans55.79.4169.3-66.3-26.5000117.2F555F555-N557 PolarHBondContact O-N 3.18Å
558R33Very low36.8Very low205 Ų205119.4 Ų119.477%0.77462%0.615SS**  trans-104.4104.5171.8-68.2-172.7-179.7-167.20.7109.7F555 D556 I560F555-R558 PolarHBondContact O-N 3.2Å; D556-R558 PolarHBondContact O-N 2.96Å; R558-I560 PolarHBondContact O-N 3.47Å
559V34Very low35.5Very low100 Ų100121.4 Ų121.461%0.60662%0.619SS**  trans-67.8102.5164.8179.50000107S561V559-S561 VanDerWaalsContact C-N 3.31Å; V559-S561 PolarHBondContact O-N 2.79Å; V559-S561 VanDerWaalsContact O-N 3.07Å
560I36.6Very low34.6Very low105 Ų105124.3 Ų124.354%0.53863%0.626SS.*  trans-75.394.2166-59.6178000105.9R558 Q562 V564 L565R558-I560 PolarHBondContact O-N 3.47Å; I560-Q562 PolarHBondContact O-N 3.06Å; I560-V564 HydrophobicContact CG2-CB 4.47Å; I560-L565 HydrophobicContact CG2-CD1 4.34Å
561S32.4Very low33.9Very low60 Ų60126.5 Ų126.542%0.4264%0.638SS.*  trans-55.8136.3174.6-56.10000109.8V559 E563 V564V559-S561 VanDerWaalsContact C-N 3.31Å; V559-S561 PolarHBondContact O-N 2.79Å; V559-S561 VanDerWaalsContact O-N 3.07Å; S561-E563 PolarHBondContact O-N 3.13Å; S561-V564 PolarHBondContact O-N 2.91Å
562Q37.8Very low33.1Very low76 Ų76129 Ų12936%0.35565%0.652SS.*THydrogen-bonded Turntrans-62.4-17.9-170.7-150.9177.7-35.400113.5I560 V564 L565 N566I560-Q562 PolarHBondContact O-N 3.06Å; Q562-V564 PolarHBondContact O-N 3.21Å; Q562-L565 PolarHBondContact O-N 2.77Å; Q562-L565 VanDerWaalsContact O-N 3.15Å; Q562-N566 WeakPolarHBondContact O-CB 3.18Å; Q562-N566 PolarHBondContact O-N 3.03Å; Q562-N566 PolarHBondContact O-OD1 3.32Å
563E35.2Very low32.8Very low148 Ų148126 Ų12669%0.69264%0.64SS**Hα-helixtrans-57.1-28.6170.9-62.5176.1148.200113.9S561 N567S561-E563 PolarHBondContact O-N 3.13Å; E563-N567 WeakPolarHBondContact O-CB 3.42Å; E563-N567 PolarHBondContact O-N 3.38Å; E563-N567 PolarHBondContact O-ND2 3.25Å; E563-N567 VanDerWaalsContact O-ND2 3.09Å
564V36.3Very low32.4Very low110 Ų110125.8 Ų125.867%0.66765%0.647SS**Hα-helixtrans-79.1-27.1178.6-175.60000111.9I560 S561 Q562I560-V564 HydrophobicContact CG2-CB 4.47Å; S561-V564 PolarHBondContact O-N 2.91Å; Q562-V564 PolarHBondContact O-N 3.21Å
565L37Very low32.3Very low104 Ų104125.1 Ų125.155%0.54566%0.656SS.*Hα-helixtrans-88.3-37.7175.2-79.2160.2000111.9I560 Q562 N567 S568I560-L565 HydrophobicContact CG2-CD1 4.34Å; Q562-L565 PolarHBondContact O-N 2.77Å; Q562-L565 VanDerWaalsContact O-N 3.15Å; L565-N567 PolarHBondContact O-N 2.89Å; L565-S568 PolarHBondContact O-N 3.05Å; L565-S568 VanDerWaalsContact O-N 3.07Å; L565-S568 PolarHBondContact O-OG 3.05Å
566N34.3Very low32.4Very low100 Ų100126.6 Ų126.654%0.53567%0.665SS.*Hα-helixtrans-71-16.5179.4-68.3-0.9000113.3Q562 S568Q562-N566 WeakPolarHBondContact O-CB 3.18Å; Q562-N566 PolarHBondContact O-N 3.03Å; Q562-N566 PolarHBondContact O-OD1 3.32Å; N566-S568 VanDerWaalsContact C-N 3.26Å
567N32.4Very low32.3Very low140 Ų140127.2 Ų127.275%0.74966%0.664SS**THydrogen-bonded Turntrans-84.53.8170.7-76.5-27000113.5E563 L565E563-N567 WeakPolarHBondContact O-CB 3.42Å; E563-N567 PolarHBondContact O-N 3.38Å; E563-N567 PolarHBondContact O-ND2 3.25Å; E563-N567 VanDerWaalsContact O-ND2 3.09Å; L565-N567 PolarHBondContact O-N 2.89Å
568S30Very low32.2Very low55 Ų55126.4 Ų126.439%0.38565%0.654SS.*SBendtrans-104.5118.3158.757.80000108.8L565 N566 F570L565-S568 PolarHBondContact O-N 3.05Å; L565-S568 VanDerWaalsContact O-N 3.07Å; L565-S568 PolarHBondContact O-OG 3.05Å; N566-S568 VanDerWaalsContact C-N 3.26Å; S568-F570 VanDerWaalsContact C-N 3.28Å; S568-F570 PolarHBondContact O-N 2.68Å
569N27.1Very low32.5Very low154 Ų154126 Ų12682%0.82466%0.658SS**  trans-65.873-169.6-68.3-17.9000114
570F27Very low33Very low188 Ų188126 Ų12683%0.82565%0.654SS**  trans-103.277.9163.1-76.6-80.7000108.9S568 E572S568-F570 VanDerWaalsContact C-N 3.28Å; S568-F570 PolarHBondContact O-N 2.68Å; F570-E572 PolarHBondContact O-N 2.91Å
571N30.5Very low33.7Very low142 Ų142124.3 Ų124.376%0.75965%0.646SS**  trans-62.3129.2167.5-81.4-11.3000108.9C573N571-C573 PolarHBondContact O-N 3.39Å
572E26Very low34.7Very low166 Ų166126.1 Ų126.178%0.77666%0.659SS**  trans-5997.5167.8-71.2165.6161.300107.9K551 F570 S574K551-E572 IonicContact NZ-OE1 2.97Å; K551-E572 PolarHBondContact NZ-OE1 2.75Å; K551-E572 VanDerWaalsContact NZ-OE1 3.12Å; F570-E572 PolarHBondContact O-N 2.91Å; E572-S574 PolarHBondContact O-N 3.25Å
573C27.4Very low35.3Very low54 Ų54127.8 Ų127.837%0.36567%0.666SS.*  trans-86.3109.1-176-153.20000110.6N571 H578N571-C573 PolarHBondContact O-N 3.39Å; C573-H578 VanDerWaalsContact CB-CD2 3.42Å; C573-H578 WeakPolarHBondContact CB-CD2 3.4Å; C573-H578 WeakPolarHBondContact CB-NE2 3.32Å
574S29.9Very low36.1Very low96 Ų96125.6 Ų125.667%0.67166%0.656SS**  trans-50.2153.4159.541.40000111.8E572 E576E572-S574 PolarHBondContact O-N 3.25Å; S574-E576 PolarHBondContact O-N 3.14Å
575V31.5Very low36.7Very low152 Ų152124.4 Ų124.492%0.92165%0.645SS**THydrogen-bonded Turntrans-65.911.1-153.7171.70000117.1
576E31.8Very low37.6Very low184 Ų184122.4 Ų122.486%0.8664%0.64SS**THydrogen-bonded Turntrans-124.2-10.3-167.3-64.6-167.5140.900118.2S574S574-E576 PolarHBondContact O-N 3.14Å
577E31Very low38.5Very low159 Ų159122.8 Ų122.874%0.74364%0.642SS**  trans-118.5-6.5-167.7-68.9-162.5142.700118.6K579E577-K579 VanDerWaalsContact C-N 3.31Å; E577-K579 PolarHBondContact O-N 3.08Å
578H35.4Very low39.3Very low157 Ų157118.5 Ų118.573%0.72763%0.626SS**  trans-85.162.7-178.8-79.6-22.2000115.2C573 L580C573-H578 VanDerWaalsContact CB-CD2 3.42Å; C573-H578 WeakPolarHBondContact CB-CD2 3.4Å; C573-H578 WeakPolarHBondContact CB-NE2 3.32Å; H578-L580 PolarHBondContact O-N 2.76Å
579K38.8Very low40.3Very low197 Ų197119.1 Ų119.186%0.85763%0.63SS**  trans-72.7113.6154.7-147.1172.2-166.8170.60107.3E577 D581E577-K579 VanDerWaalsContact C-N 3.31Å; E577-K579 PolarHBondContact O-N 3.08Å; K579-D581 PolarHBondContact O-N 3.12Å
580L43.6Very low41.4Very low98 Ų98114 Ų11451%0.51361%0.609SS.*  trans-48.5128.6173.9-71.9165.1000109.3H578 Q584 L585H578-L580 PolarHBondContact O-N 2.76Å; L580-Q584 HydrophobicContact CD2-CB 4.19Å; L580-L585 HydrophobicContact CB-CD1 4.03Å; L580-L585 HydrophobicContact CB-CD2 4.36Å; L580-L585 HydrophobicContact CB-CG 3.71Å; L580-L585 HydrophobicContact CD1-CD2 3.95Å; L580-L585 HydrophobicContact CD1-CG 4.17Å; L580-L585 WeakPolarHBondContact O-CD1 3Å
581D51.6Low42.4Very low71 Ų71110.4 Ų110.438%0.3859%0.591SS.*  trans-66.1164.7176.374.752.6000111K579 E583 Q584 L585K579-D581 PolarHBondContact O-N 3.12Å; D581-E583 PolarHBondContact O-N 3.4Å; D581-E583 WeakPolarHBondContact OD1-CA 3.38Å; D581-E583 VanDerWaalsContact OD1-CB 3.31Å; D581-E583 WeakPolarHBondContact OD1-CB 3.29Å; D581-E583 PolarHBondContact OD1-N 3.06Å; D581-Q584 PolarHBondContact O-N 2.96Å; D581-Q584 PolarHBondContact OD1-N 3.46Å; D581-Q584 VanDerWaalsContact OD2-CD 3.25Å; D581-Q584 WeakPolarHBondContact OD2-CG 3.34Å; D581-Q584 PolarHBondContact OD2-NE2 3.02Å; D581-L585 WeakPolarHBondContact O-CB 3.22Å; D581-L585 PolarHBondContact O-N 3.04Å
582S53.6Low43.4Very low98 Ų98106.3 Ų106.369%0.68557%0.573SS**Hα-helixtrans-64.4-27.3-176.550.10000113.4S586S582-S586 WeakPolarHBondContact O-CB 3.31Å; S582-S586 PolarHBondContact O-N 3.34Å
583E49.9Very low44.3Very low111 Ų111100.3 Ų100.352%0.51956%0.556SS.*Hα-helixtrans-75.2-43.7175.6-61.7-176.7-165.400110.9D581 S586 L587 F645D581-E583 PolarHBondContact O-N 3.4Å; D581-E583 WeakPolarHBondContact OD1-CA 3.38Å; D581-E583 VanDerWaalsContact OD1-CB 3.31Å; D581-E583 WeakPolarHBondContact OD1-CB 3.29Å; D581-E583 PolarHBondContact OD1-N 3.06Å; E583-S586 PolarHBondContact O-N 3.27Å; E583-L587 VanDerWaalsContact O-CB 3.29Å; E583-L587 WeakPolarHBondContact O-CB 3.25Å; E583-L587 PolarHBondContact O-N 3.45Å; E583-F645 HydrophobicContact CG-CZ 4.4Å; E583-F645 WeakPolarHBondContact OE1-CE1 3.26Å; E583-F645 WeakPolarHBondContact OE1-CZ 3.4Å
584Q52.4Low45.3Very low102 Ų102101.2 Ų101.248%0.47756%0.557SS.*Hα-helixtrans-62.8-43.5176.1-68.217823.200111.6L580 D581 L587 A588L580-Q584 HydrophobicContact CD2-CB 4.19Å; D581-Q584 PolarHBondContact O-N 2.96Å; D581-Q584 PolarHBondContact OD1-N 3.46Å; D581-Q584 VanDerWaalsContact OD2-CD 3.25Å; D581-Q584 WeakPolarHBondContact OD2-CG 3.34Å; D581-Q584 PolarHBondContact OD2-NE2 3.02Å; Q584-L587 PolarHBondContact O-N 2.92Å; Q584-A588 VanDerWaalsContact O-CB 3.28Å; Q584-A588 WeakPolarHBondContact O-CB 3.48Å; Q584-A588 PolarHBondContact O-N 3.2Å
585L50.2Low46.1Very low84 Ų84103.7 Ų103.744%0.4455%0.551SS.*Hα-helixtrans-62.2-43.2172.1-85.4162.5000112L580 D581 S589L580-L585 HydrophobicContact CB-CD1 4.03Å; L580-L585 HydrophobicContact CB-CD2 4.36Å; L580-L585 HydrophobicContact CB-CG 3.71Å; L580-L585 HydrophobicContact CD1-CD2 3.95Å; L580-L585 HydrophobicContact CD1-CG 4.17Å; L580-L585 WeakPolarHBondContact O-CD1 3Å; D581-L585 WeakPolarHBondContact O-CB 3.22Å; D581-L585 PolarHBondContact O-N 3.04Å; L585-S589 WeakPolarHBondContact O-CB 3.4Å; L585-S589 PolarHBondContact O-N 2.78Å
586S55.7Low46.8Very low62 Ų62100 Ų10043%0.43453%0.532SS..Hα-helixtrans-65.3-42.5178.2-1700000111.8S582 E583 S589 A590S582-S586 WeakPolarHBondContact O-CB 3.31Å; S582-S586 PolarHBondContact O-N 3.34Å; E583-S586 PolarHBondContact O-N 3.27Å; S586-S589 WeakPolarHBondContact O-CB 3.29Å; S586-S589 PolarHBondContact O-N 3.27Å; S586-A590 WeakPolarHBondContact O-CB 3.41Å; S586-A590 PolarHBondContact O-N 3.46Å
587L53.6Low47.1Very low108 Ų10893 Ų9357%0.56551%0.51SS*.Hα-helixtrans-65.7-47177.1-170.172.4000111.4E583 Q584 S589 A590 Y591E583-L587 VanDerWaalsContact O-CB 3.29Å; E583-L587 WeakPolarHBondContact O-CB 3.25Å; E583-L587 PolarHBondContact O-N 3.45Å; Q584-L587 PolarHBondContact O-N 2.92Å; L587-S589 VanDerWaalsContact C-N 3.3Å; L587-S589 PolarHBondContact O-N 3.28Å; L587-A590 PolarHBondContact O-N 3.34Å; L587-Y591 HydrophobicContact CD1-CD2 4.49Å; L587-Y591 HydrophobicContact CD1-CE2 4.16Å; L587-Y591 HydrophobicContact CD2-CE2 4.4Å; L587-Y591 HydrophobicContact CG-CD2 4.08Å; L587-Y591 HydrophobicContact CG-CE2 3.99Å; L587-Y591 VanDerWaalsContact O-CD2 3.32Å; L587-Y591 WeakPolarHBondContact O-CD2 3.35Å; L587-Y591 PolarHBondContact O-N 2.8Å
588A47.7Very low47.9Very low50 Ų5089.6 Ų89.641%0.41350%0.496SS..Hα-helixtrans-61.9-38.7175.300000111.8Q584 Y591 C592Q584-A588 VanDerWaalsContact O-CB 3.28Å; Q584-A588 WeakPolarHBondContact O-CB 3.48Å; Q584-A588 PolarHBondContact O-N 3.2Å; A588-Y591 PolarHBondContact O-N 2.97Å; A588-C592 PolarHBondContact O-N 3.48Å; A588-C592 PolarHBondContact O-SG 3.27Å
589S52.6Low48.2Very low68 Ų6886.2 Ų86.248%0.47648%0.483SS..Hα-helixtrans-63.7-44.4173.3-167.50000111.7L585 S586 L587 Y591 C592 G593L585-S589 WeakPolarHBondContact O-CB 3.4Å; L585-S589 PolarHBondContact O-N 2.78Å; S586-S589 WeakPolarHBondContact O-CB 3.29Å; S586-S589 PolarHBondContact O-N 3.27Å; L587-S589 VanDerWaalsContact C-N 3.3Å; L587-S589 PolarHBondContact O-N 3.28Å; S589-Y591 PolarHBondContact O-N 3.37Å; S589-C592 PolarHBondContact O-N 3.25Å; S589-G593 PolarHBondContact O-N 2.88Å
590A48.8Very low48.2Very low47 Ų4778.4 Ų78.439%0.38846%0.459SS..Hα-helixtrans-62.5-42176.100000112.4S586 L587 G593 L594S586-A590 WeakPolarHBondContact O-CB 3.41Å; S586-A590 PolarHBondContact O-N 3.46Å; L587-A590 PolarHBondContact O-N 3.34Å; A590-G593 PolarHBondContact O-N 3.16Å; A590-L594 WeakPolarHBondContact O-CB 3.43Å; A590-L594 WeakPolarHBondContact O-CG 3.05Å; A590-L594 PolarHBondContact O-N 2.93Å
591Y49.2Very low48.2Very low112 Ų11280.2 Ų80.244%0.43946%0.462SS..Hα-helixtrans-61.6-44.3172.6-89.4-73.1000112.1L587 A588 S589 L594 W595 F635L587-Y591 HydrophobicContact CD1-CD2 4.49Å; L587-Y591 HydrophobicContact CD1-CE2 4.16Å; L587-Y591 HydrophobicContact CD2-CE2 4.4Å; L587-Y591 HydrophobicContact CG-CD2 4.08Å; L587-Y591 HydrophobicContact CG-CE2 3.99Å; L587-Y591 VanDerWaalsContact O-CD2 3.32Å; L587-Y591 WeakPolarHBondContact O-CD2 3.35Å; L587-Y591 PolarHBondContact O-N 2.8Å; A588-Y591 PolarHBondContact O-N 2.97Å; S589-Y591 PolarHBondContact O-N 3.37Å; Y591-L594 PolarHBondContact O-N 3.34Å; Y591-W595 PolarHBondContact O-N 3.36Å; Y591-F635 HydrophobicContact CE1-CE1 4.3Å; Y591-F635 AromaticContact CE1-CZ 3.96Å; Y591-F635 HydrophobicContact CE1-CZ 3.96Å
592C50.1Low47.5Very low56 Ų5685.4 Ų85.438%0.37848%0.476SS..Hα-helixtrans-65.2-41.3177.1-67.50000112.1A588 S589 W595 S596A588-C592 PolarHBondContact O-N 3.48Å; A588-C592 PolarHBondContact O-SG 3.27Å; S589-C592 PolarHBondContact O-N 3.25Å; C592-W595 PolarHBondContact O-N 2.83Å; C592-S596 PolarHBondContact O-N 3.47Å; C592-S596 PolarHBondContact O-OG 3.15Å; C592-S596 VanDerWaalsContact O-OG 3.08Å
593G46.3Very low46.7Very low41 Ų4183.2 Ų83.242%0.42346%0.461SS..Hα-helixtrans-65.3-34.8175.600000113.6S589 A590 S596 G597S589-G593 PolarHBondContact O-N 2.88Å; A590-G593 PolarHBondContact O-N 3.16Å; G593-S596 WeakPolarHBondContact CA-OG 3.46Å; G593-S596 PolarHBondContact O-OG 3.3Å; G593-S596 VanDerWaalsContact O-OG 3.11Å; G593-G597 PolarHBondContact O-N 2.91Å
594L47.6Very low46.2Very low73 Ų7382.3 Ų82.338%0.38246%0.46SS..Hα-helixtrans-70.6-38.6173.6-81.3164.4000112.3A590 Y591 G597 L598 K634A590-L594 WeakPolarHBondContact O-CB 3.43Å; A590-L594 WeakPolarHBondContact O-CG 3.05Å; A590-L594 PolarHBondContact O-N 2.93Å; Y591-L594 PolarHBondContact O-N 3.34Å; L594-G597 PolarHBondContact O-N 3.33Å; L594-L598 WeakPolarHBondContact O-CB 3.4Å; L594-L598 PolarHBondContact O-N 3.01Å; L594-K634 HydrophobicContact CD2-CD 4.46Å
595W46.9Very low45.6Very low148 Ų14883 Ų8356%0.56147%0.466SS*.Hα-helixtrans-66.9-44.2175.1-93.6101000112.7I307 Y591 C592 G597 L598 L599I307-W595 HydrophobicContact CD1-CZ2 4.43Å; Y591-W595 PolarHBondContact O-N 3.36Å; C592-W595 PolarHBondContact O-N 2.83Å; W595-G597 VanDerWaalsContact C-N 3.35Å; W595-L598 PolarHBondContact O-N 3.46Å; W595-L599 WeakPolarHBondContact O-CG 3.41Å; W595-L599 PolarHBondContact O-N 2.98Å
596S45.4Very low45Very low73 Ų7387 Ų8751%0.5148%0.482SS..Hα-helixtrans-65.5-37.9174.3550000112C592 G593 L598 L599 G600C592-S596 PolarHBondContact O-N 3.47Å; C592-S596 PolarHBondContact O-OG 3.15Å; C592-S596 VanDerWaalsContact O-OG 3.08Å; G593-S596 WeakPolarHBondContact CA-OG 3.46Å; G593-S596 PolarHBondContact O-OG 3.3Å; G593-S596 VanDerWaalsContact O-OG 3.11Å; S596-L598 PolarHBondContact O-N 3.11Å; S596-L599 PolarHBondContact O-N 3.48Å; S596-G600 PolarHBondContact O-N 2.75Å
597G39.6Very low44.1Very low39 Ų3991.1 Ų91.140%0.40250%0.495SS..Hα-helixtrans-64.5-34.8172.100000114.4G593 L594 W595 K601G593-G597 PolarHBondContact O-N 2.91Å; L594-G597 PolarHBondContact O-N 3.33Å; W595-G597 VanDerWaalsContact C-N 3.35Å; G597-K601 WeakPolarHBondContact O-CG 3.09Å; G597-K601 PolarHBondContact O-N 3.46Å; G597-K601 VanDerWaalsContact O-N 3.15Å
598L46.2Very low42.9Very low87 Ų8792.1 Ų92.146%0.45550%0.501SS..Hα-helixtrans-70.3-35.8173.8-93.8161.6000112.6L594 W595 S596L594-L598 WeakPolarHBondContact O-CB 3.4Å; L594-L598 PolarHBondContact O-N 3.01Å; W595-L598 PolarHBondContact O-N 3.46Å; S596-L598 PolarHBondContact O-N 3.11Å
599L43.4Very low42.3Very low86 Ų8698.7 Ų98.745%0.4552%0.523SS..Hα-helixtrans-68.1-46.1173.6-71.7166.1000111.2W595 S596 K601 R602W595-L599 WeakPolarHBondContact O-CG 3.41Å; W595-L599 PolarHBondContact O-N 2.98Å; S596-L599 PolarHBondContact O-N 3.48Å; L599-K601 PolarHBondContact O-N 3.06Å; L599-R602 VanDerWaalsContact O-CB 3.24Å; L599-R602 WeakPolarHBondContact O-CB 3.45Å; L599-R602 PolarHBondContact O-N 2.89Å
600G38.8Very low41Very low33 Ų33102.2 Ų102.234%0.3454%0.541SS..Hα-helixtrans-60.4-39.5177.700000113.7S596 R602 S603S596-G600 PolarHBondContact O-N 2.75Å; G600-R602 PolarHBondContact O-N 3.16Å; G600-S603 PolarHBondContact O-N 3.41Å; G600-S603 PolarHBondContact O-OG 3.36Å
601K43.6Very low40.2Very low136 Ų136107.6 Ų107.659%0.59156%0.563SS**Hα-helixtrans-69.8-10.8175.2-72.5-134.1169.5-136.60114.7G597 L599G597-K601 WeakPolarHBondContact O-CG 3.09Å; G597-K601 PolarHBondContact O-N 3.46Å; G597-K601 VanDerWaalsContact O-N 3.15Å; L599-K601 PolarHBondContact O-N 3.06Å
602R36.9Very low39.2Very low179 Ų179107.1 Ų107.168%0.67557%0.573SS**Hα-helixtrans-80.1-29.3176.7-148.2175.7-173.7-170.1-1.9111.9L599 G600L599-R602 VanDerWaalsContact O-CB 3.24Å; L599-R602 WeakPolarHBondContact O-CB 3.45Å; L599-R602 PolarHBondContact O-N 2.89Å; G600-R602 PolarHBondContact O-N 3.16Å
603S35.1Very low38.1Very low53 Ų53113.2 Ų113.237%0.37160%0.596SS.*Hα-helixtrans-74.2-40.5171.622.40000112.9G600 I605 Q606G600-S603 PolarHBondContact O-N 3.41Å; G600-S603 PolarHBondContact O-OG 3.36Å; S603-I605 PolarHBondContact O-N 2.91Å; S603-I605 VanDerWaalsContact O-N 3.09Å; S603-Q606 PolarHBondContact O-N 3.35Å; S603-Q606 VanDerWaalsContact O-N 3.1Å
604D40.3Very low37.3Very low92 Ų92119.6 Ų119.649%0.49262%0.62SS.*G310 helixtrans-59.5-26.3-176.3-60.2-17.5000114
605I39.4Very low36.2Very low115 Ų115121 Ų12159%0.5964%0.635SS**G310 helixtrans-86.8-15.8-176.6-62.7173.1000112.1S603 Q607S603-I605 PolarHBondContact O-N 2.91Å; S603-I605 VanDerWaalsContact O-N 3.09Å; I605-Q607 VanDerWaalsContact C-N 3.32Å
606Q38.6Very low35.2Very low168 Ų168120.9 Ų120.979%0.78565%0.645SS**G310 helixtrans-82.1-6.8175.4-74.2-170.9-4500113.8S603S603-Q606 PolarHBondContact O-N 3.35Å; S603-Q606 VanDerWaalsContact O-N 3.1Å
607Q35.2Very low34.2Very low149 Ų149124.8 Ų124.870%0.69666%0.658SS**SBendtrans-111.2-0.8-173.9-69.1-169.5-6.800115.4I605I605-Q607 VanDerWaalsContact C-N 3.32Å
608N30.1Very low33.7Very low130 Ų130131.7 Ų131.770%0.69568%0.68SS**SBendtrans-132.5138.1-178-73.1-65.9000113.8
609E33.4Very low33Very low188 Ų188132.6 Ų132.688%0.87969%0.685SS**  trans72.988.1169.1-61.4-173.1146.900118.1L611E609-L611 PolarHBondContact O-N 3.38Å
610V27.2Very low32.5Very low142 Ų142136.2 Ų136.286%0.86170%0.704SS**  trans-56.3119.8149.6174.90000109.7
611L30.1Very low32.5Very low160 Ų160138.7 Ų138.784%0.83872%0.716SS**  trans-142.4130158.1-134.687.8000109.4E609E609-L611 PolarHBondContact O-N 3.38Å
612P28.8Very low32.1Very low102 Ų102133.3 Ų133.366%0.66270%0.7SS**  trans-90166.5-172.936.7-36.6000113.5
613E26.9Very low32.3Very low184 Ų184132 Ų13286%0.8670%0.699SS**  trans56.5102.8161.6-66.8178.416800118.1
614L29.6Very low32.4Very low175 Ų175136.9 Ų136.992%0.91671%0.709SS**  -164.7152.7125.1-105.7157.4000112.1
615C24.4Very low32.5Very low103 Ų103136.6 Ų136.670%0.69671%0.707SS**  trans-82.3170.8-162.6-56.70000115.1
616D26.5Very low32.7Very low144 Ų144137.5 Ų137.577%0.7771%0.709SS**  trans70.699.3151.7-55.4-27.7000119.3
617I25.2Very low33Very low156 Ų156135 Ų13580%0.869%0.693SS**SBend26122.3129.4-41.1173.5000116.3
618Q28.8Very low33.6Very low184 Ų184131.5 Ų131.586%0.8668%0.682SS**  trans108.247166.7-55.6178.7-0.100118.9
619D30.6Very low34.2Very low106 Ų106132.5 Ų132.557%0.56768%0.676SS**  trans-151.952.9156.6-143.4-7.4000119.8S621 G622D619-S621 PolarHBondContact O-N 2.86Å; D619-S621 PolarHBondContact OD1-N 3.26Å; D619-S621 PolarHBondContact OD1-OG 3.39Å; D619-G622 PolarHBondContact OD1-N 3.48Å
620L33.7Very low35Very low161 Ų161128.5 Ų128.584%0.84366%0.66SS**Hα-helixtrans-70.6-9161.6-82.498.2000113.3
621S38Very low35.7Very low85 Ų85123.5 Ų123.559%0.59463%0.634SS**Hα-helixtrans-72.8-45.2-179.386.50000111.8D619 K623 R624 L625D619-S621 PolarHBondContact O-N 2.86Å; D619-S621 PolarHBondContact OD1-N 3.26Å; D619-S621 PolarHBondContact OD1-OG 3.39Å; S621-K623 PolarHBondContact O-N 2.9Å; S621-R624 PolarHBondContact O-N 3.33Å; S621-L625 WeakPolarHBondContact O-CB 3.26Å; S621-L625 PolarHBondContact O-N 3.46Å
622G34.8Very low36.3Very low24 Ų24121 Ų12125%0.24762%0.618CS.*Hα-helixtrans-61.5-39.9-176.100000113.5D619 L625 Q626D619-G622 PolarHBondContact OD1-N 3.48Å; G622-L625 PolarHBondContact O-N 3.1Å; G622-Q626 PolarHBondContact O-N 3.15Å
623K41.4Very low36.9Very low152 Ų152118.9 Ų118.966%0.66161%0.609SS**Hα-helixtrans-66.4-44.6177-69-175.3-179.7179.10111.9S621 L625 Q626 Y627S621-K623 PolarHBondContact O-N 2.9Å; K623-L625 VanDerWaalsContact C-N 3.32Å; K623-L625 PolarHBondContact O-N 2.95Å; K623-Q626 PolarHBondContact O-N 3.38Å; K623-Y627 WeakPolarHBondContact O-CD2 3.33Å; K623-Y627 PolarHBondContact O-N 2.91Å
624R37.3Very low37.7Very low155 Ų155115.6 Ų115.659%0.58559%0.592SS**Hα-helixtrans-59.4-43.4172.8-90-176.9171.4173.8-2110.9E298 S621 Q626 Y627 V628E298-R624 IonicContact OE1-NH1 2.64Å; E298-R624 IonicContact OE2-CZ 3.51Å; E298-R624 IonicContact OE2-NH1 3.8Å; E298-R624 PolarHBondContact OE2-NH1 3.2Å; E298-R624 IonicContact OE2-NH2 3.45Å; E298-R624 PolarHBondContact OE2-NH2 2.88Å; S621-R624 PolarHBondContact O-N 3.33Å; R624-Q626 PolarHBondContact O-N 2.84Å; R624-Y627 PolarHBondContact O-N 2.88Å; R624-V628 PolarHBondContact O-N 2.95Å
625L43.5Very low38.1Very low85 Ų85113.6 Ų113.645%0.44558%0.576SS.*Hα-helixtrans-65.4-36.5179.4-167.465000112.8S621 G622 K623 V628 R629S621-L625 WeakPolarHBondContact O-CB 3.26Å; S621-L625 PolarHBondContact O-N 3.46Å; G622-L625 PolarHBondContact O-N 3.1Å; K623-L625 VanDerWaalsContact C-N 3.32Å; K623-L625 PolarHBondContact O-N 2.95Å; L625-V628 PolarHBondContact O-N 3.4Å; L625-R629 WeakPolarHBondContact O-CG 3.26Å; L625-R629 PolarHBondContact O-N 3.03Å
626Q43.3Very low38.7Very low135 Ų135117 Ų11763%0.63158%0.578SS**Hα-helixtrans-59.1-47.5171.7-91.6-173-11.800112G622 K623 R624 V628 R629 L630G622-Q626 PolarHBondContact O-N 3.15Å; K623-Q626 PolarHBondContact O-N 3.38Å; R624-Q626 PolarHBondContact O-N 2.84Å; Q626-V628 VanDerWaalsContact C-N 3.32Å; Q626-V628 PolarHBondContact O-N 3.29Å; Q626-R629 PolarHBondContact O-N 3.45Å; Q626-L630 VanDerWaalsContact O-CB 3.3Å; Q626-L630 WeakPolarHBondContact O-CB 3.48Å; Q626-L630 PolarHBondContact O-N 3.4Å
627Y45.2Very low38.9Very low114 Ų114119.4 Ų119.445%0.44758%0.577SS.*Hα-helixtrans-60.1-41177.9-70.9-68.7000112.4K623 R624 L630 A631K623-Y627 WeakPolarHBondContact O-CD2 3.33Å; K623-Y627 PolarHBondContact O-N 2.91Å; R624-Y627 PolarHBondContact O-N 2.88Å; Y627-L630 PolarHBondContact O-N 3.42Å; Y627-A631 WeakPolarHBondContact O-CB 3.49Å; Y627-A631 PolarHBondContact O-N 3.19Å
628V45.9Very low39.2Very low76 Ų76117.4 Ų117.446%0.46157%0.574SS.*Hα-helixtrans-63.7-46.9175.8175.80000111.2R624 L625 Q626 L630 A631 Q632R624-V628 PolarHBondContact O-N 2.95Å; L625-V628 PolarHBondContact O-N 3.4Å; Q626-V628 VanDerWaalsContact C-N 3.32Å; Q626-V628 PolarHBondContact O-N 3.29Å; V628-L630 VanDerWaalsContact C-N 3.31Å; V628-L630 PolarHBondContact O-N 3.29Å; V628-A631 PolarHBondContact O-N 2.96Å; V628-Q632 WeakPolarHBondContact O-CB 3.3Å; V628-Q632 WeakPolarHBondContact O-CG 3.37Å; V628-Q632 PolarHBondContact O-N 3.05Å
629R44.3Very low39.6Very low151 Ų151114.4 Ų114.457%0.5757%0.568SS**Hα-helixtrans-61.8-37.5175.7-70.4-177.8-166.5-166.27.1112.3L625 Q626 Q632 A633L625-R629 WeakPolarHBondContact O-CG 3.26Å; L625-R629 PolarHBondContact O-N 3.03Å; Q626-R629 PolarHBondContact O-N 3.45Å; R629-Q632 PolarHBondContact O-N 2.86Å; R629-A633 VanDerWaalsContact O-CB 3.25Å; R629-A633 WeakPolarHBondContact O-CB 3.49Å; R629-A633 PolarHBondContact O-N 3.43Å
630L49.2Very low39.6Very low105 Ų105115.3 Ų115.355%0.5558%0.577SS.*Hα-helixtrans-73.2-34.5-179.2-147.1154.5000111.5Q626 Y627 V628 K634Q626-L630 VanDerWaalsContact O-CB 3.3Å; Q626-L630 WeakPolarHBondContact O-CB 3.48Å; Q626-L630 PolarHBondContact O-N 3.4Å; Y627-L630 PolarHBondContact O-N 3.42Å; V628-L630 VanDerWaalsContact C-N 3.31Å; V628-L630 PolarHBondContact O-N 3.29Å; L630-K634 PolarHBondContact O-N 3.29Å; L630-K634 VanDerWaalsContact O-N 3.16Å
631A41.6Very low39.6Very low37 Ų37111.4 Ų111.431%0.30656%0.56SS.*Hα-helixtrans-63.7-53167.500000111.2Y627 V628 A633 K634 F635Y627-A631 WeakPolarHBondContact O-CB 3.49Å; Y627-A631 PolarHBondContact O-N 3.19Å; V628-A631 PolarHBondContact O-N 2.96Å; A631-A633 VanDerWaalsContact C-N 3.29Å; A631-A633 PolarHBondContact O-N 2.92Å; A631-K634 WeakPolarHBondContact O-CA 3.48Å; A631-K634 WeakPolarHBondContact O-CB 3.34Å; A631-K634 PolarHBondContact O-N 3.15Å; A631-F635 VanDerWaalsContact O-CD2 3.26Å; A631-F635 WeakPolarHBondContact O-CD2 3.25Å; A631-F635 PolarHBondContact O-N 3.13Å
632Q42.2Very low39.1Very low107 Ų107115.3 Ų115.350%0.557%0.574SS.*Hα-helixtrans-56.3-40.4177.2-72.7173.1-1300112.6V628 R629 K634 F635 K636V628-Q632 WeakPolarHBondContact O-CB 3.3Å; V628-Q632 WeakPolarHBondContact O-CG 3.37Å; V628-Q632 PolarHBondContact O-N 3.05Å; R629-Q632 PolarHBondContact O-N 2.86Å; Q632-K634 VanDerWaalsContact C-N 3.32Å; Q632-K634 PolarHBondContact O-N 3.36Å; Q632-F635 PolarHBondContact O-N 2.76Å; Q632-K636 PolarHBondContact O-N 3.07Å
633A43.3Very low39Very low57 Ų57117 Ų11747%0.47158%0.582SS.*Hα-helixtrans-67.7-29176.600000113.3R629 A631R629-A633 VanDerWaalsContact O-CB 3.25Å; R629-A633 WeakPolarHBondContact O-CB 3.49Å; R629-A633 PolarHBondContact O-N 3.43Å; A631-A633 VanDerWaalsContact C-N 3.29Å; A631-A633 PolarHBondContact O-N 2.92Å
634K43.4Very low38.3Very low116 Ų116118.1 Ų118.150%0.50460%0.596SS.*Hα-helixtrans-75.4-41.4170.4-78.4-173.7172.9-171.40112.1L594 L630 A631 Q632 K636 R637L594-K634 HydrophobicContact CD2-CD 4.46Å; L630-K634 PolarHBondContact O-N 3.29Å; L630-K634 VanDerWaalsContact O-N 3.16Å; A631-K634 WeakPolarHBondContact O-CA 3.48Å; A631-K634 WeakPolarHBondContact O-CB 3.34Å; A631-K634 PolarHBondContact O-N 3.15Å; Q632-K634 VanDerWaalsContact C-N 3.32Å; Q632-K634 PolarHBondContact O-N 3.36Å; K634-K636 PolarHBondContact O-N 3.49Å; K634-R637 PolarHBondContact O-N 3.2Å; K634-R637 VanDerWaalsContact O-N 3.15Å
635F37.5Very low37.9Very low132 Ų132116.7 Ų116.758%0.57959%0.594SS**Hα-helixtrans-61.9-27.4174.9-83-72.6000113.4Y591 A631 Q632 R637Y591-F635 HydrophobicContact CE1-CE1 4.3Å; Y591-F635 AromaticContact CE1-CZ 3.96Å; Y591-F635 HydrophobicContact CE1-CZ 3.96Å; A631-F635 VanDerWaalsContact O-CD2 3.26Å; A631-F635 WeakPolarHBondContact O-CD2 3.25Å; A631-F635 PolarHBondContact O-N 3.13Å; Q632-F635 PolarHBondContact O-N 2.76Å; F635-R637 VanDerWaalsContact C-N 3.29Å; F635-R637 PolarHBondContact O-N 3.37Å
636K37.2Very low37.1Very low174 Ų174122.6 Ų122.676%0.75762%0.616SS**THydrogen-bonded Turntrans-77.1-2.3175.2-76.9-170.1175.8-169.30115.4Q632 K634Q632-K636 PolarHBondContact O-N 3.07Å; K634-K636 PolarHBondContact O-N 3.49Å
637R30.1Very low36.6Very low195 Ų195122.1 Ų122.174%0.73662%0.622SS**SBendtrans-100.5129.1174.9-69.1-175178.8179.9-0.5110K634 F635 V639K634-R637 PolarHBondContact O-N 3.2Å; K634-R637 VanDerWaalsContact O-N 3.15Å; F635-R637 VanDerWaalsContact C-N 3.29Å; F635-R637 PolarHBondContact O-N 3.37Å; R637-V639 VanDerWaalsContact O-N 3.11Å; R637-V639 PolarHBondContact O-N 3.32Å
638P32.3Very low36Very low115 Ų115123.1 Ų123.175%0.74764%0.64SS**  trans-62.1117.5172.126.1-32.4000108.8V640P638-V640 PolarHBondContact O-N 2.83Å
639V36.3Very low35.5Very low121 Ų121128.5 Ų128.573%0.73366%0.657SS**  trans-75.2106.2175.6178.70000107.4R637 T641R637-V639 VanDerWaalsContact O-N 3.11Å; R637-V639 PolarHBondContact O-N 3.32Å; V639-T641 HydrophobicContact CG1-CG2 4.42Å; V639-T641 VanDerWaalsContact O-N 3.12Å; V639-T641 PolarHBondContact O-N 3.15Å
640V31.1Very low35Very low124 Ų124128.3 Ų128.375%0.75267%0.667SS**  trans-73.4101.5178.2-177.10000109.1P638P638-V640 PolarHBondContact O-N 2.83Å
641T33Very low34.3Very low80 Ų80128.3 Ų128.349%0.49167%0.673SS.*  trans-100.2137.6161.651.30000109.1V639 S643V639-T641 HydrophobicContact CG1-CG2 4.42Å; V639-T641 VanDerWaalsContact O-N 3.12Å; V639-T641 PolarHBondContact O-N 3.15Å; T641-S643 VanDerWaalsContact C-N 3.28Å; T641-S643 PolarHBondContact O-N 2.74Å
642N29.1Very low34.1Very low166 Ų166133.9 Ų133.989%0.88870%0.698SS**SBendtrans-73.972.5-172.8-70.6-19.7000112.8
643S31Very low33.7Very low60 Ų60135.8 Ų135.842%0.4271%0.712SS.*SBendtrans-154.5137.6175.544.70000110.2T641 F645T641-S643 VanDerWaalsContact C-N 3.28Å; T641-S643 PolarHBondContact O-N 2.74Å; S643-F645 VanDerWaalsContact C-N 3.26Å; S643-F645 PolarHBondContact O-N 3.02Å; S643-F645 WeakPolarHBondContact OG-CD2 3.33Å; S643-F645 WeakPolarHBondContact OG-CE2 3.49Å
644D26.7Very low33.1Very low176 Ų176140.5 Ų140.594%0.94173%0.727SS**  trans-70.859-165.1-69.6-59.4000115.9
645F29Very low32.5Very low124 Ų124141.2 Ų141.254%0.54474%0.741SS.*  trans-92.4111.3179.9-72.5-78.2000112.9E583 S643 T647E583-F645 HydrophobicContact CG-CZ 4.4Å; E583-F645 WeakPolarHBondContact OE1-CE1 3.26Å; E583-F645 WeakPolarHBondContact OE1-CZ 3.4Å; S643-F645 VanDerWaalsContact C-N 3.26Å; S643-F645 PolarHBondContact O-N 3.02Å; S643-F645 WeakPolarHBondContact OG-CD2 3.33Å; S643-F645 WeakPolarHBondContact OG-CE2 3.49Å; F645-T647 PolarHBondContact O-N 3.16Å
646K28.4Very low32.1Very low209 Ų209140 Ų14091%0.90975%0.747SS**  trans-69.689.2169.4-73.8179.9177.8173.80110.7V648K646-V648 PolarHBondContact O-N 3.44Å
647T31.7Very low31.8Very low125 Ų125139.9 Ų139.977%0.76775%0.754SS**PPolyproline II helixtrans-73.8123.1168.346.50000110.7F645 K649F645-T647 PolarHBondContact O-N 3.16Å; T647-K649 PolarHBondContact O-N 3.45Å
648V31.8Very low32Very low136 Ų136134.9 Ų134.982%0.82475%0.749SS**PPolyproline II helixtrans-68.6127.9171.7178.20000108.4K646K646-V648 PolarHBondContact O-N 3.44Å
649K35.6Very low31.9Very low188 Ų188134.7 Ų134.782%0.81775%0.747SS**PPolyproline II helixtrans-62.2135174.7-72.4-175.6172.9-172.40110.3T647T647-K649 PolarHBondContact O-N 3.45Å
650L35.1Very low31.7Very low147 Ų147135.6 Ų135.677%0.7775%0.747SS**PPolyproline II helixtrans-67.4154.9164-85.192.6000110.5
651P33.6Very low31.4Very low106 Ų106136.7 Ų136.769%0.68875%0.748SS**PPolyproline II helixtrans-62.3143.7175.6-20.132.8000112.6D653P651-D653 PolarHBondContact O-N 3.08Å; P651-D653 VanDerWaalsContact O-N 3.16Å
652D37.6Very low31.3Very low154 Ų154140.4 Ų140.482%0.82476%0.763SS**SBendtrans-75.94.3-172.7-69.9-55.1000114.8I654D652-I654 PolarHBondContact O-N 2.84Å
653D34.1Very low31.3Very low147 Ų147138.3 Ų138.379%0.78676%0.757SS**  trans-95.622.7-162.1-66.9-33.9000116.6P651P651-D653 PolarHBondContact O-N 3.08Å; P651-D653 VanDerWaalsContact O-N 3.16Å
654I30.7Very low31.1Very low155 Ų155141.8 Ų141.880%0.79578%0.776SS**  trans-109.390.6174.3-53.4-178.2000111D652 P656D652-I654 PolarHBondContact O-N 2.84Å; I654-P656 WeakPolarHBondContact O-CD 3.48Å
655T31.1Very low31.1Very low131 Ų131139.3 Ų139.380%0.80477%0.772SS**PPolyproline II helixtrans-62.8122.9172.414.60000111.3L657T655-L657 PolarHBondContact O-N 2.98Å
656P29.9Very low31Very low107 Ų107143 Ų14370%0.69579%0.788SS**PPolyproline II helixtrans-73.8119.4173.229.3-31.9000110I654 S658I654-P656 WeakPolarHBondContact O-CD 3.48Å; P656-S658 PolarHBondContact O-N 3.42Å
657L30.9Very low31.2Very low172 Ų172142 Ų14290%0.90179%0.787SS**PPolyproline II helixtrans-57.6120.5172.7-80.9158.1000110.5T655T655-L657 PolarHBondContact O-N 2.98Å
658S32.5Very low30.9Very low90 Ų90142.1 Ų142.163%0.62978%0.783SS**PPolyproline II helixtrans-65.1149.9172.848.90000111.3P656 I660P656-S658 PolarHBondContact O-N 3.42Å; S658-I660 PolarHBondContact O-N 3.1Å
659P30.7Very low30.8Very low110 Ų110142.9 Ų142.971%0.71478%0.777SS**PPolyproline II helixtrans-64.8126.7175.928.6-33.3000109.7
660I32.2Very low30.3Very low141 Ų141140.8 Ų140.872%0.72378%0.775SS**PPolyproline II helixtrans-89.7118.4171.4-65.5174000107.3S658 I662S658-I660 PolarHBondContact O-N 3.1Å; I660-I662 HydrophobicContact CG2-CG1 4.28Å
661D25.2Very low30.2Very low147 Ų147143.6 Ų143.679%0.78678%0.781SS**PPolyproline II helixtrans-64.5129.9170.8-64.8-52.8000110.2
662I29.7Very low29.8Very low157 Ų157145.3 Ų145.381%0.80578%0.784SS**  trans-123.876.3173.4-51.9-178.1000109.3I660 T664I660-I662 HydrophobicContact CG2-CG1 4.28Å; I662-T664 PolarHBondContact O-N 3.31Å
663T29.3Very low29.4Very low123 Ų123149.6 Ų149.676%0.75579%0.79SS**  trans-81.6106.5162.748.20000110.3
664T26.5Very low28.9Very low132 Ų132149.9 Ų149.981%0.8179%0.791SS**  trans35111.3144.456.50000119.8I662I662-T664 PolarHBondContact O-N 3.31Å
665S28.8Very low28.7Very low124 Ų124147.2 Ų147.287%0.86779%0.786SS**  trans-154.7132.1132.360.50000112
666K25.7Very low28.6Very low203 Ų203145.9 Ų145.988%0.88378%0.778SS**  trans-92132.2170.2-67.5173.6177.5174.10109
667Q32Very low28.4Very low188 Ų188148.5 Ų148.588%0.87978%0.781SS**  trans168144.6156.5-99.2164.315.600106.4
668N27.2Very low28.3Very low127 Ų127145.9 Ų145.968%0.67977%0.768SS**  cis-173.6158.5-20.4-132.730.2000104.6
669E29.5Very low28.1Very low152 Ų152147.5 Ų147.571%0.7177%0.769SS**  trans69103.6151.6-67.3165.1-127.400121.8
670N24.8Very low27.8Very low144 Ų144148.1 Ų148.177%0.7777%0.771SS**  41.4117.1116.1-62.6-22000120
671K32.9Very low27.5Very low206 Ų206150.7 Ų150.790%0.89677%0.773SS**  -169.3142.7110.7-99.4146.9-169167.90113.9
672N25.6Very low27.6Very low141 Ų141151.9 Ų151.975%0.75478%0.778SS**  trans-45.3152172-50.3-34.2000114.3
673Y28.8Very low27.4Very low244 Ų244152.1 Ų152.196%0.95777%0.773SS**  -146.6152.8120.3-94.3-70.2000110.6
674L23.9Very low27.4Very low153 Ų153152.9 Ų152.980%0.80177%0.773SS**  trans-130.5154.4-159.5-165.188.5000110.5
675S26.5Very low27.3Very low100 Ų100153.1 Ų153.170%0.69977%0.769SS**  trans73.9157.7158.285.90000116.7
676T27.2Very low27.1Very low102 Ų102159.2 Ų159.263%0.62677%0.773SS**  cis-154.6149.212.426.40000111.1
677H26.8Very low27Very low162 Ų162159.7 Ų159.775%0.7578%0.775SS**  trans61.8150.1142.2-62.8-36.8000120.1
678D29.6Very low26.7Very low118 Ų118155.4 Ų155.463%0.63177%0.766SS**  cis-158155.311.9-121.9-11.1000114.4
679N26.6Very low26.6Very low124 Ų124152.4 Ų152.466%0.66376%0.755SS**  trans37.9136.6148.1-54.2-45.8000121.6
680V26.1Very low26.6Very low122 Ų122152.6 Ų152.674%0.73976%0.76SS**  -169.3130.264160.10000111.2
681Y24.6Very low26.9Very low195 Ų195151.3 Ų151.377%0.76575%0.753SS**  trans24.5125149.2-66.9-108.4000122
682L28.3Very low26.7Very low172 Ų172147.1 Ų147.190%0.90174%0.741SS**  -157122.5100.8-109.2162.3000113.1
683K24.5Very low26.8Very low163 Ų163147.9 Ų147.971%0.70974%0.744SS**  trans-65.6142170.7-86.1170.4168.3172.40110.3
684N28.8Very low26.8Very low139 Ų139140.7 Ų140.774%0.74373%0.73SS**  -169.8117.5105.4-91.2-27000112.4
685N24.7Very low26.9Very low136 Ų136144.1 Ų144.173%0.72773%0.732SS**  trans29.3119.4144.5-51.7-21.2000118.6
686W24.3Very low26.9Very low253 Ų253146.2 Ų146.296%0.95873%0.733SS**  -150.4124.3115.8-11546.5000108.7
687K24.7Very low26.8Very low212 Ų212150.9 Ų150.992%0.92275%0.748SS**  trans-101.1120.5173.7-102.1-177.2171.6-176.70107.5
688S25.2Very low26.9Very low98 Ų98150.7 Ų150.769%0.68575%0.748SS**  trans-148.9144154.3-174.70000108.1
689S25.7Very low26.7Very low64 Ų64150.7 Ų150.745%0.44875%0.754SS.*  trans-79.2151.5-169.2-158.10000111.6D691S689-D691 PolarHBondContact O-N 2.79Å; S689-D691 PolarHBondContact OG-OD2 2.92Å
690L28.9Very low26.6Very low156 Ų156151.5 Ų151.582%0.81776%0.757SS**G310 helixtrans-67-16172.9-150.974.4000112.2
691D30.7Very low26.8Very low117 Ų117150.7 Ų150.763%0.62675%0.752SS**G310 helixtrans-81.1-19.6-173-52.4-58.9000114.5S689 L693 S694S689-D691 PolarHBondContact O-N 2.79Å; S689-D691 PolarHBondContact OG-OD2 2.92Å; D691-L693 PolarHBondContact O-N 3.24Å; D691-S694 PolarHBondContact O-OG 3.21Å
692D29.5Very low26.9Very low119 Ų119146 Ų14664%0.63675%0.749SS**G310 helixtrans-72.1-11.7-176.5-73.3-34.5000113.3S694D692-S694 PolarHBondContact O-N 3.22Å
693L27.9Very low26.8Very low156 Ų156141 Ų14182%0.81773%0.727SS**G310 helixtrans-80.85.5179.7-71170.2000114.3D691D691-L693 PolarHBondContact O-N 3.24Å
694S28Very low27Very low94 Ų94139.4 Ų139.466%0.65773%0.727SS**G310 helixtrans-97.57.1-169.960.60000116D691 D692D691-S694 PolarHBondContact O-OG 3.21Å; D692-S694 PolarHBondContact O-N 3.22Å
695R26.5Very low27Very low225 Ų225135.8 Ų135.885%0.84971%0.712SS**  trans-137.724.9-167.5-67.3-166.1-179.9-156.30.6117.8
696I27.3Very low27.6Very low143 Ų143130.7 Ų130.773%0.73368%0.684SS**  trans-11097.2170.9-57.6-179.5000109.4E698I696-E698 HydrophobicContact CG2-CB 4.33Å; I696-E698 HydrophobicContact CG2-CG 3.88Å; I696-E698 PolarHBondContact O-N 3.26Å
697E24.3Very low28.1Very low200 Ų200124 Ų12494%0.93567%0.671SS**  trans-74.398.4165.3-67.4-178.614500109
698E28.2Very low28.4Very low158 Ų158118.8 Ų118.874%0.73865%0.646SS**  trans-127.1146.3169-85.2-168.6165.600111.7I696I696-E698 HydrophobicContact CG2-CB 4.33Å; I696-E698 HydrophobicContact CG2-CG 3.88Å; I696-E698 PolarHBondContact O-N 3.26Å
699P26.1Very low28.8Very low118 Ų118118.7 Ų118.777%0.76663%0.634SS**  trans-76.3128.9-168.329.4-34.9000113.3T701P699-T701 PolarHBondContact O-N 3Å; P699-T701 VanDerWaalsContact O-N 3.17Å
700I25.2Very low29.2Very low142 Ų142120 Ų12073%0.72863%0.63SS**  trans-57.5111.4178.7-57.8161.5000111
701T29Very low29.2Very low104 Ų104117.7 Ų117.764%0.63861%0.613SS**  trans-141.2135.7157.555.60000111.3P699P699-T701 PolarHBondContact O-N 3Å; P699-T701 VanDerWaalsContact O-N 3.17Å
702S27.3Very low29.3Very low98 Ų98117.1 Ų117.169%0.68561%0.61SS**  trans-91.3107.5-165.756.40000114N704S702-N704 PolarHBondContact O-N 2.99Å
703S26.5Very low29.6Very low65 Ų65115.5 Ų115.546%0.45560%0.597SS.*  trans-91.588.5166.262.30000110.9
704N28Very low30.2Very low131 Ų131108.8 Ų108.870%0.70156%0.563SS**  trans-159.967.8179.2-98.4-47.5000113.6S702S702-N704 PolarHBondContact O-N 2.99Å
705S29.2Very low30.4Very low63 Ų63108 Ų10844%0.44155%0.551SS.*  trans-161.4116.6162.261.40000109.6K369K369-S705 PolarHBondContact NZ-OG 3.49Å
706F36.3Very low30.8Very low29 Ų29105.7 Ų105.713%0.12754%0.542CS..  trans-174-17.2145.5-128.4-97.1000118.5K369 S372 A373 F498 R708K369-F706 HydrophobicContact CG-CE2 3.97Å; S372-F706 WeakPolarHBondContact O-CE1 3.34Å; S372-F706 WeakPolarHBondContact OG-CZ 3.34Å; A373-F706 HydrophobicContact CB-CZ 3.88Å; F498-F706 HydrophobicContact CD2-CB 4.21Å; F498-F706 HydrophobicContact CD2-CG 4.37Å; F498-F706 HydrophobicContact CE2-CB 4.13Å; F706-R708 PolarHBondContact O-N 3.07Å; F706-R708 VanDerWaalsContact C-N 3.25Å
707T35.6Very low31.2Very low113 Ų113103.1 Ų103.169%0.69353%0.526SS*.THydrogen-bonded Turntrans-70.36.1-162.548.50000118.2
708R32.1Very low31.7Very low101 Ų10196.6 Ų96.638%0.38150%0.497SS..THydrogen-bonded Turntrans-138.5-18.6177.9-144.3-167.8-135.7136.6-4.3117.4F297 F706 W710 F711 N712F297-R708 HydrophobicContact CD2-CB 3.35Å; F297-R708 HydrophobicContact CD2-CG 3.9Å; F297-R708 HydrophobicContact CE2-CB 3.41Å; F297-R708 VanDerWaalsContact CE2-CB 3.41Å; F297-R708 HydrophobicContact CE2-CG 3.58Å; F706-R708 PolarHBondContact O-N 3.07Å; F706-R708 VanDerWaalsContact C-N 3.25Å; R708-W710 PolarHBondContact O-N 3.22Å; R708-F711 PolarHBondContact O-N 3.48Å; R708-F711 HydrophobicContact CG-CB 4.22Å; R708-N712 PolarHBondContact O-N 3.15Å; R708-N712 VanDerWaalsContact O-N 3.11Å
709E33Very low31.8Very low97 Ų9796 Ų9645%0.45349%0.489SS..Hα-helixtrans-62.6-37.9169.5-116.1-163.411600110F711 N712 K713E709-F711 PolarHBondContact O-N 3.05Å; E709-N712 PolarHBondContact O-N 3.49Å; E709-K713 PolarHBondContact OE1-NZ 3.09Å; E709-K713 IonicContact OE1-NZ 3.12Å; E709-K713 PolarHBondContact O-N 2.78Å
710W32.6Very low32.3Very low91 Ų9195.8 Ų95.835%0.34548%0.477SS..Hα-helixtrans-53.7-48.7169.1-168.381.1000112.5P502 R708 N712 T714P502-W710 HydrophobicContact CB-CZ2 4.48Å; R708-W710 PolarHBondContact O-N 3.22Å; W710-N712 PolarHBondContact O-N 3.24Å; W710-T714 HydrophobicContact CD2-CG2 4.48Å; W710-T714 VanDerWaalsContact O-CG2 3.24Å; W710-T714 WeakPolarHBondContact O-CG2 3.46Å; W710-T714 PolarHBondContact O-N 3.34Å; W710-T714 PolarHBondContact O-OG1 2.89Å
711F29Very low32.7Very low108 Ų10893.2 Ų93.247%0.47447%0.472SS..Hα-helixtrans-66.7-35.4-179.3-105.9-81.4000114.4R708 E709 T714 L715R708-F711 PolarHBondContact O-N 3.48Å; R708-F711 HydrophobicContact CG-CB 4.22Å; E709-F711 PolarHBondContact O-N 3.05Å; F711-T714 PolarHBondContact O-OG1 2.94Å; F711-L715 HydrophobicContact CD1-CD1 4.07Å
712N33.7Very low33Very low105 Ų10596.2 Ų96.256%0.56148%0.479SS*.Hα-helixtrans-82.6-26.4-174.4-78-7.9000113.3R708 E709 W710R708-N712 PolarHBondContact O-N 3.15Å; R708-N712 VanDerWaalsContact O-N 3.11Å; E709-N712 PolarHBondContact O-N 3.49Å; W710-N712 PolarHBondContact O-N 3.24Å
713K36.7Very low33.1Very low85 Ų8598 Ų9837%0.3747%0.474SS..Hα-helixtrans-87.4-36.3178.7-75.3171.3175.2163.10113.3A373 E709 K717A373-K713 VanDerWaalsContact O-CD 3.25Å; A373-K713 WeakPolarHBondContact O-CD 3.42Å; E709-K713 PolarHBondContact OE1-NZ 3.09Å; E709-K713 IonicContact OE1-NZ 3.12Å; E709-K713 PolarHBondContact O-N 2.78Å; K713-K717 PolarHBondContact O-N 3.14Å
714T39.4Very low33.3Very low15 Ų15106.3 Ų106.39%0.09250%0.502CS..Hα-helixtrans-61.2-59.717746.40000111.5W710 F711 W716 K717 D718W710-T714 HydrophobicContact CD2-CG2 4.48Å; W710-T714 VanDerWaalsContact O-CG2 3.24Å; W710-T714 WeakPolarHBondContact O-CG2 3.46Å; W710-T714 PolarHBondContact O-N 3.34Å; W710-T714 PolarHBondContact O-OG1 2.89Å; F711-T714 PolarHBondContact O-OG1 2.94Å; T714-W716 PolarHBondContact O-N 3.31Å; T714-K717 PolarHBondContact O-N 2.92Å; T714-K717 VanDerWaalsContact O-N 3.13Å; T714-D718 PolarHBondContact O-N 3.22Å
715L33.1Very low33.5Very low78 Ų78105.1 Ų105.141%0.40849%0.493SS..Hα-helixtrans-60-17.2-176.8-90.6160.5000115.3F711 R719F711-L715 HydrophobicContact CD1-CD1 4.07Å; L715-R719 WeakPolarHBondContact O-CB 3.48Å; L715-R719 WeakPolarHBondContact O-CD 3.38Å; L715-R719 WeakPolarHBondContact O-CG 3.5Å
716W33.6Very low33.8Very low176 Ų176107.3 Ų107.367%0.66750%0.495SS*.Hα-helixtrans-92.7-29.6177.7-94.885.9000114.3T714 Q720T714-W716 PolarHBondContact O-N 3.31Å; W716-Q720 WeakPolarHBondContact O-CG 3.39Å
717K35.5Very low33.6Very low88 Ų88111.7 Ų111.738%0.38352%0.516SS..Hα-helixtrans-85.7-45.7173.8-88-163.2166.2-160.60111.8D113 K713 T714 R719 Q720 S721D113-K717 IonicContact OD1-NZ 2.63Å; D113-K717 PolarHBondContact OD1-NZ 3.5Å; K713-K717 PolarHBondContact O-N 3.14Å; T714-K717 PolarHBondContact O-N 2.92Å; T714-K717 VanDerWaalsContact O-N 3.13Å; K717-R719 PolarHBondContact O-N 3.07Å; K717-R719 VanDerWaalsContact O-N 3.16Å; K717-Q720 PolarHBondContact O-N 2.9Å; K717-S721 PolarHBondContact O-N 2.93Å; K717-S721 PolarHBondContact O-OG 3.42Å
718D34.9Very low33.5Very low63 Ų63111.6 Ų111.634%0.33751%0.505SS..Hα-helixtrans-64.3-26.3-175.8-56.1-31.2000112.3S377 T714 S721S377-D718 WeakPolarHBondContact CB-OD1 3.5Å; S377-D718 PolarHBondContact OG-OD1 3.16Å; T714-D718 PolarHBondContact O-N 3.22Å; D718-S721 PolarHBondContact O-OG 3.46Å
719R31.6Very low33.6Very low147 Ų147112.3 Ų112.356%0.55551%0.513SS*.Hα-helixtrans-81.2-7.8174-72.5-172.9178.2-157.6-0.8115.8L715 K717L715-R719 WeakPolarHBondContact O-CB 3.48Å; L715-R719 WeakPolarHBondContact O-CD 3.38Å; L715-R719 WeakPolarHBondContact O-CG 3.5Å; K717-R719 PolarHBondContact O-N 3.07Å; K717-R719 VanDerWaalsContact O-N 3.16Å
720Q35.6Very low33.6Very low112 Ų112113.3 Ų113.352%0.52352%0.517SS..Hα-helixtrans-93.4-30.3174.5-68.9-79-20.900111.1W716 K717 K723W716-Q720 WeakPolarHBondContact O-CG 3.39Å; K717-Q720 PolarHBondContact O-N 2.9Å; Q720-K723 PolarHBondContact O-N 2.87Å
721S34.9Very low33.7Very low89 Ų89114.9 Ų114.962%0.62253%0.529SS*.Hα-helixtrans-72.2-23.6175.938.30000114.5K717 D718 K723K717-S721 PolarHBondContact O-N 2.93Å; K717-S721 PolarHBondContact O-OG 3.42Å; D718-S721 PolarHBondContact O-OG 3.46Å; S721-K723 VanDerWaalsContact C-N 3.27Å; S721-K723 PolarHBondContact O-N 3.31Å
722E33.8Very low34.1Very low167 Ų167115.4 Ų115.478%0.7853%0.534SS*.THydrogen-bonded Turntrans-87.214176.1-65.7-177.1148.900113.5
723K29.7Very low34.1Very low136 Ų136116.3 Ų116.359%0.59153%0.531SS*.  trans-139.440.8-176.3-71.9-166.2174.6-174.60114.8Q720 S721Q720-K723 PolarHBondContact O-N 2.87Å; S721-K723 VanDerWaalsContact C-N 3.27Å; S721-K723 PolarHBondContact O-N 3.31Å
724F30.4Very low33.9Very low239 Ų239119.1 Ų119.1100%1.04855%0.546SS*.  trans-141.20162.5-82-69.4000111.8

Retrieved 724 of 724 residues in 563.7 ms (Link to these results)

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