A0A3Q0KT71_SCHMA Loading...

Putative sodium-coupled neutral amino acid transporter 12

AlphaFold DB , UniProt , Accession A0A3Q0KT71, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 576 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M34.5Very low45.4Very low230 Ų230106.2 Ų106.2100%1.13365%0.646SS**  0112.50-74.1175.4174.900107N3M1-N3 PolarHBondContact O-N 3.32Å; M1-N3 VanDerWaalsContact O-N 3.14Å
2S32.3Very low48.9Very low100 Ų100101 Ų10170%0.69961%0.607SS**  trans-58.2115.3171.8490000108.3L4S2-L4 PolarHBondContact O-N 2.97Å
3N37Very low52Low145 Ų14597.5 Ų97.578%0.77559%0.59SS**  trans-71.263.8173.1-74.2-26000109.5M1 P5M1-N3 PolarHBondContact O-N 3.32Å; M1-N3 VanDerWaalsContact O-N 3.14Å; N3-P5 WeakPolarHBondContact O-CD 3.32Å
4L32.6Very low54.6Low140 Ų14092.1 Ų92.173%0.73356%0.559SS**  trans-61.9117.7167.5-89.3148.6000106.8S2 I6S2-L4 PolarHBondContact O-N 2.97Å; L4-I6 PolarHBondContact O-N 3.35Å
5P37.7Very low56.8Low54 Ų5494 Ų9435%0.35156%0.564SS.*  trans-60137.717625.1-31.7000109.1N3 S7 E111N3-P5 WeakPolarHBondContact O-CD 3.32Å; P5-S7 PolarHBondContact O-N 3.05Å; P5-S7 VanDerWaalsContact O-N 3.15Å; P5-E111 WeakPolarHBondContact CB-OE2 3.48Å; P5-E111 WeakPolarHBondContact CG-OE2 3.45Å
6I38.1Very low58.7Low147 Ų14791 Ų9175%0.75455%0.546SS*.  trans-67.5112.5-173.2-61.2167.1000107.5L4 V8L4-I6 PolarHBondContact O-N 3.35Å; I6-V8 PolarHBondContact O-N 2.89Å; I6-V8 VanDerWaalsContact O-N 3.1Å
7S40.4Very low60.4Low100 Ų10085.8 Ų85.870%0.69952%0.515SS*.  trans-57.6121.1171.976.50000108.5P5 G9P5-S7 PolarHBondContact O-N 3.05Å; P5-S7 VanDerWaalsContact O-N 3.15Å; S7-G9 PolarHBondContact O-N 3.37Å
8V49.7Very low62Low61 Ų6183.7 Ų83.737%0.3750%0.498SS..  trans-68.7109.1-169.2-179.40000108.3I6 T301 P302I6-V8 PolarHBondContact O-N 2.89Å; I6-V8 VanDerWaalsContact O-N 3.1Å; V8-T301 HydrophobicContact CG2-CG2 3.95Å; V8-P302 HydrophobicContact CG1-CB 3.58Å
9G50.9Low63.4Low60 Ų6082.7 Ų82.762%0.61949%0.49SS*.  trans-49.8153.8171.900000111S7 G11S7-G9 PolarHBondContact O-N 3.37Å; G9-G11 PolarHBondContact O-N 3.23Å
10S67.2Low64.7Low113 Ų11383 Ų8379%0.7949%0.485SS*.SBendtrans-29102.6-170.562.20000112.3
11G79.6Confident65.9Low18 Ų1879.1 Ų79.119%0.18646%0.462CS..  trans-56.4177.3-169.800000113G9 P302 R304G9-G11 PolarHBondContact O-N 3.23Å; G11-P302 CarbonylContact C-O 3.36Å; G11-P302 WeakPolarHBondContact CA-O 3.45Å; G11-R304 PolarHBondContact O-NE 3.21Å; G11-R304 PolarHBondContact O-NH2 2.74Å
12Y86.8Confident68.6Low44 Ų4468.3 Ų68.317%0.17341%0.409CS..BIsolated β-bridgetrans-110.1165.1178.151.6-109.3000113.3T16 G17 F20 I299 P302 V303 R304Y12-T16 HydrophobicContact CD2-CG2 4.03Å; Y12-T16 HydrophobicContact CG-CG2 3.95Å; Y12-G17 VanDerWaalsContact CE2-CA 3.48Å; Y12-F20 HydrophobicContact CD1-CE2 4.12Å; Y12-F20 AromaticContact CE1-CD2 3.94Å; Y12-F20 HydrophobicContact CE1-CD2 3.94Å; Y12-F20 AromaticContact CE1-CE2 3.81Å; Y12-F20 HydrophobicContact CE1-CE2 3.81Å; Y12-F20 HydrophobicContact CE2-CD2 4.23Å; Y12-F20 AromaticContact CZ-CD2 3.71Å; Y12-I299 WeakPolarHBondContact OH-CA 3.49Å; Y12-I299 WeakPolarHBondContact OH-CG2 3.45Å; Y12-I299 PolarHBondContact OH-O 3.43Å; Y12-P302 HydrophobicContact CD1-CB 4.06Å; Y12-P302 HydrophobicContact CD1-CG 4.29Å; Y12-P302 HydrophobicContact CE1-CB 3.65Å; Y12-P302 HydrophobicContact CE1-CG 3.39Å; Y12-P302 PolarHBondContact N-O 3.19Å; Y12-P302 WeakPolarHBondContact OH-CG 3.46Å; Y12-V303 HydrophobicContact CD2-CG2 4.26Å; Y12-V303 HydrophobicContact CE2-CB 4.49Å; Y12-V303 HydrophobicContact CE2-CG2 3.56Å; Y12-R304 WeakPolarHBondContact O-CB 3.44Å; Y12-R304 WeakPolarHBondContact O-CG 3.46Å; Y12-R304 PolarHBondContact O-N 2.85Å
13S89.1Confident71.2Confident56 Ų5664.1 Ų64.139%0.39238%0.378SS..  trans-64.9159-17977.20000112.7L15 T16 G17S13-L15 PolarHBondContact O-N 3.44Å; S13-L15 PolarHBondContact OG-N 3.07Å; S13-T16 PolarHBondContact O-N 3.12Å; S13-T16 VanDerWaalsContact O-N 3.15Å; S13-T16 PolarHBondContact OG-N 3.27Å; S13-T16 VanDerWaalsContact OG-N 3.16Å; S13-T16 PolarHBondContact OG-OG1 3.4Å; S13-G17 PolarHBondContact O-N 3.43Å
14S88Confident73.6Confident22 Ų2260.5 Ų60.515%0.15436%0.358CS..Hα-helixtrans-57.5-33.5174.1-47.40000112.8G17 F18 I313S14-G17 PolarHBondContact O-N 3.18Å; S14-F18 PolarHBondContact O-N 2.79Å; S14-I313 WeakPolarHBondContact O-CD1 3.41Å
15L87.9Confident76.3Confident120 Ų12054 Ų5463%0.62832%0.324SS*.Hα-helixtrans-67.3-42.8176.5-179.963.8000111.8S13 G17 F18 I19S13-L15 PolarHBondContact O-N 3.44Å; S13-L15 PolarHBondContact OG-N 3.07Å; L15-G17 VanDerWaalsContact C-N 3.29Å; L15-G17 PolarHBondContact O-N 2.79Å; L15-F18 WeakPolarHBondContact O-CB 3.35Å; L15-F18 PolarHBondContact O-N 3.15Å; L15-I19 HydrophobicContact CG-CD1 4.27Å; L15-I19 WeakPolarHBondContact O-CG1 3.45Å; L15-I19 PolarHBondContact O-N 3.34Å
16T87.3Confident78.7Confident46 Ų4651.5 Ų51.528%0.28231%0.308SS..Hα-helixtrans-61.7-41.1174.6-49.90000110.9Y12 S13 I19 F20Y12-T16 HydrophobicContact CD2-CG2 4.03Å; Y12-T16 HydrophobicContact CG-CG2 3.95Å; S13-T16 PolarHBondContact O-N 3.12Å; S13-T16 VanDerWaalsContact O-N 3.15Å; S13-T16 PolarHBondContact OG-N 3.27Å; S13-T16 VanDerWaalsContact OG-N 3.16Å; S13-T16 PolarHBondContact OG-OG1 3.4Å; T16-I19 PolarHBondContact O-N 3.5Å; T16-F20 HydrophobicContact CG2-CD2 4.15Å; T16-F20 HydrophobicContact CG2-CE1 4.05Å; T16-F20 HydrophobicContact CG2-CE2 3.63Å; T16-F20 HydrophobicContact CG2-CZ 3.58Å; T16-F20 WeakPolarHBondContact O-CG 3.28Å; T16-F20 PolarHBondContact O-N 3.44Å
17G87.4Confident80.8Confident2 Ų245.2 Ų45.22%0.02128%0.28CS..Hα-helixtrans-62.5-40.8174.300000113.4Y12 S13 S14 L15 F20 L21Y12-G17 VanDerWaalsContact CE2-CA 3.48Å; S13-G17 PolarHBondContact O-N 3.43Å; S14-G17 PolarHBondContact O-N 3.18Å; L15-G17 VanDerWaalsContact C-N 3.29Å; L15-G17 PolarHBondContact O-N 2.79Å; G17-F20 PolarHBondContact O-N 3.33Å; G17-L21 WeakPolarHBondContact O-CB 3.41Å; G17-L21 PolarHBondContact O-N 2.88Å
18F90.3Very high82.9Confident48 Ų4841 Ų4121%0.21125%0.25CC..Hα-helixtrans-57.5-50172.5176.8-79.5000111.3S14 L15 F20 L21 F22 I313 P316 V317 T320S14-F18 PolarHBondContact O-N 2.79Å; L15-F18 WeakPolarHBondContact O-CB 3.35Å; L15-F18 PolarHBondContact O-N 3.15Å; F18-F20 PolarHBondContact O-N 2.93Å; F18-L21 PolarHBondContact O-N 3.08Å; F18-F22 WeakPolarHBondContact O-CB 3.4Å; F18-F22 PolarHBondContact O-N 3Å; F18-I313 HydrophobicContact CB-CG2 4.31Å; F18-P316 HydrophobicContact CD2-CB 4.46Å; F18-P316 HydrophobicContact CE2-CB 3.94Å; F18-V317 HydrophobicContact CB-CG2 4.28Å; F18-V317 HydrophobicContact CD1-CG2 4.45Å; F18-V317 HydrophobicContact CD2-CB 4.35Å; F18-V317 HydrophobicContact CD2-CG2 3.16Å; F18-V317 HydrophobicContact CE2-CB 4.18Å; F18-V317 HydrophobicContact CE2-CG2 3.39Å; F18-V317 HydrophobicContact CG-CG2 3.73Å; F18-V317 HydrophobicContact CZ-CG2 4.14Å; F18-T320 HydrophobicContact CZ-CG2 4.37Å
19I88.7Confident84.7Confident65 Ų6538.2 Ų38.233%0.33323%0.233SC..Hα-helixtrans-62.9-43.7-178.6-66.6167000110.9L15 T16 F22 N23L15-I19 HydrophobicContact CG-CD1 4.27Å; L15-I19 WeakPolarHBondContact O-CG1 3.45Å; L15-I19 PolarHBondContact O-N 3.34Å; T16-I19 PolarHBondContact O-N 3.5Å; I19-F22 PolarHBondContact O-N 3.35Å; I19-N23 WeakPolarHBondContact O-CB 3.27Å; I19-N23 PolarHBondContact O-N 3.03Å; I19-N23 PolarHBondContact O-ND2 3.04Å
20F87.9Confident86.8Confident89 Ų8935.3 Ų35.339%0.3920%0.203SC..Hα-helixtrans-64.6-43.2178.2-69.8-9.8000112.2Y12 T16 G17 F18 N23 I24 I299Y12-F20 HydrophobicContact CD1-CE2 4.12Å; Y12-F20 AromaticContact CE1-CD2 3.94Å; Y12-F20 HydrophobicContact CE1-CD2 3.94Å; Y12-F20 AromaticContact CE1-CE2 3.81Å; Y12-F20 HydrophobicContact CE1-CE2 3.81Å; Y12-F20 HydrophobicContact CE2-CD2 4.23Å; Y12-F20 AromaticContact CZ-CD2 3.71Å; T16-F20 HydrophobicContact CG2-CD2 4.15Å; T16-F20 HydrophobicContact CG2-CE1 4.05Å; T16-F20 HydrophobicContact CG2-CE2 3.63Å; T16-F20 HydrophobicContact CG2-CZ 3.58Å; T16-F20 WeakPolarHBondContact O-CG 3.28Å; T16-F20 PolarHBondContact O-N 3.44Å; G17-F20 PolarHBondContact O-N 3.33Å; F18-F20 PolarHBondContact O-N 2.93Å; F20-N23 PolarHBondContact O-N 2.8Å; F20-I24 WeakPolarHBondContact O-CB 3.4Å; F20-I24 WeakPolarHBondContact O-CG1 3.01Å; F20-I24 PolarHBondContact O-N 2.63Å; F20-I299 HydrophobicContact CB-CG2 4.01Å
21L90.5Very high88.1Confident2 Ų230.3 Ų30.31%0.0117%0.167CC..Hα-helixtrans-66.6-42.9178.1-171.561.6000111.5G17 F18 N23 I24 I25 F60 I299 I313 F314 V317G17-L21 WeakPolarHBondContact O-CB 3.41Å; G17-L21 PolarHBondContact O-N 2.88Å; F18-L21 PolarHBondContact O-N 3.08Å; L21-N23 PolarHBondContact O-N 3.25Å; L21-I24 PolarHBondContact O-N 2.96Å; L21-I25 HydrophobicContact CD1-CD1 4.02Å; L21-I25 HydrophobicContact CD1-CG1 4.29Å; L21-I25 HydrophobicContact CD2-CD1 4.48Å; L21-I25 HydrophobicContact CG-CD1 3.8Å; L21-I25 HydrophobicContact CG-CG1 4.45Å; L21-I25 VanDerWaalsContact O-CG1 3.28Å; L21-I25 WeakPolarHBondContact O-CG1 2.93Å; L21-I25 PolarHBondContact O-N 2.71Å; L21-F60 HydrophobicContact CD1-CE2 3.93Å; L21-F60 HydrophobicContact CD1-CZ 4.41Å; L21-F60 HydrophobicContact CD2-CE2 4.13Å; L21-F60 HydrophobicContact CD2-CZ 3.96Å; L21-I299 HydrophobicContact CD1-CD1 4.26Å; L21-I313 HydrophobicContact CD2-CG2 4.4Å; L21-F314 HydrophobicContact CD2-CD1 4.03Å; L21-V317 HydrophobicContact CB-CG1 4.36Å; L21-V317 HydrophobicContact CB-CG2 4.39Å; L21-V317 HydrophobicContact CD2-CB 4.2Å; L21-V317 HydrophobicContact CD2-CG1 4.04Å; L21-V317 HydrophobicContact CD2-CG2 4.17Å; L21-V317 HydrophobicContact CG-CG1 3.96Å
22F91.3Very high88.9Confident3 Ų329.7 Ų29.71%0.01316%0.16CC..Hα-helixtrans-57.3-49.9174.3178.3-88.8000111.5F18 I19 I24 I25 V26 W220 T320 V321 F324F18-F22 WeakPolarHBondContact O-CB 3.4Å; F18-F22 PolarHBondContact O-N 3Å; I19-F22 PolarHBondContact O-N 3.35Å; F22-I24 VanDerWaalsContact C-N 3.28Å; F22-I24 PolarHBondContact O-N 3.31Å; F22-I25 PolarHBondContact O-N 2.75Å; F22-V26 HydrophobicContact CD1-CG2 4.12Å; F22-V26 HydrophobicContact CD2-CG2 4.13Å; F22-V26 HydrophobicContact CE1-CB 4.39Å; F22-V26 HydrophobicContact CE1-CG2 3.74Å; F22-V26 HydrophobicContact CE2-CG2 3.75Å; F22-V26 HydrophobicContact CG-CG2 4.31Å; F22-V26 HydrophobicContact CZ-CG2 3.56Å; F22-V26 WeakPolarHBondContact O-CB 2.86Å; F22-V26 WeakPolarHBondContact O-CG2 3.46Å; F22-V26 PolarHBondContact O-N 3.28Å; F22-W220 HydrophobicContact CD1-CH2 4.03Å; F22-W220 AromaticContact CD1-CZ2 3.46Å; F22-W220 HydrophobicContact CD1-CZ2 3.46Å; F22-W220 VanDerWaalsContact CD1-CZ2 3.46Å; F22-W220 AromaticContact CE1-CE2 3.91Å; F22-W220 AromaticContact CE1-CH2 3.36Å; F22-W220 HydrophobicContact CE1-CH2 3.36Å; F22-W220 AromaticContact CE1-CZ2 3.14Å; F22-W220 HydrophobicContact CE1-CZ2 3.14Å; F22-W220 HydrophobicContact CE1-CZ3 4.26Å; F22-W220 HydrophobicContact CE2-CH2 4.34Å; F22-W220 HydrophobicContact CG-CZ2 4.36Å; F22-W220 AromaticContact CZ-CH2 3.53Å; F22-W220 HydrophobicContact CZ-CH2 3.53Å; F22-W220 AromaticContact CZ-CZ2 3.84Å; F22-W220 HydrophobicContact CZ-CZ2 3.84Å; F22-W220 HydrophobicContact CZ-CZ3 4.32Å; F22-T320 HydrophobicContact CD2-CG2 4.17Å; F22-T320 HydrophobicContact CE2-CG2 3.85Å; F22-V321 HydrophobicContact CD2-CG2 3.61Å; F22-V321 HydrophobicContact CE2-CG2 3.94Å; F22-V321 HydrophobicContact CG-CG2 4.49Å; F22-F324 HydrophobicContact CZ-CD1 4.41Å; F22-F324 HydrophobicContact CZ-CG 4.36Å
23N87.5Confident89.4Confident11 Ų1127.6 Ų27.66%0.05915%0.152CC..Hα-helixtrans-64.6-32.6-177.9-72.8-25.8000113.2I19 F20 L21 G27 V216 R219I19-N23 WeakPolarHBondContact O-CB 3.27Å; I19-N23 PolarHBondContact O-N 3.03Å; I19-N23 PolarHBondContact O-ND2 3.04Å; F20-N23 PolarHBondContact O-N 2.8Å; L21-N23 PolarHBondContact O-N 3.25Å; N23-G27 PolarHBondContact O-N 2.94Å; N23-G27 VanDerWaalsContact O-N 3.12Å; N23-V216 WeakPolarHBondContact ND2-CG1 3.25Å; N23-V216 VanDerWaalsContact ND2-CG2 3.29Å; N23-V216 WeakPolarHBondContact ND2-CG2 3.23Å; N23-R219 PolarHBondContact O-NH1 3.42Å
24I87.3Confident89.8Confident70 Ų7024.9 Ų24.936%0.35913%0.133SC..Hα-helixtrans-75.2-43.2178.3-75.2171.7000110.8F20 L21 F22 C292 I299F20-I24 WeakPolarHBondContact O-CB 3.4Å; F20-I24 WeakPolarHBondContact O-CG1 3.01Å; F20-I24 PolarHBondContact O-N 2.63Å; L21-I24 PolarHBondContact O-N 2.96Å; F22-I24 VanDerWaalsContact C-N 3.28Å; F22-I24 PolarHBondContact O-N 3.31Å; I24-C292 HydrophobicContact CG2-CB 4.04Å; I24-I299 HydrophobicContact CB-CD1 4.41Å; I24-I299 HydrophobicContact CD1-CD1 3.26Å; I24-I299 HydrophobicContact CD1-CG1 3.74Å; I24-I299 HydrophobicContact CG1-CD1 4.38Å; I24-I299 HydrophobicContact CG2-CD1 4.32Å
25I90Very high90.2Very high3 Ų324 Ų242%0.01513%0.127CC..Hα-helixtrans-66.9-54.8177.3-62.5167.1000110L21 F22 G27 V289 F290 C292 V317 F318 V321L21-I25 HydrophobicContact CD1-CD1 4.02Å; L21-I25 HydrophobicContact CD1-CG1 4.29Å; L21-I25 HydrophobicContact CD2-CD1 4.48Å; L21-I25 HydrophobicContact CG-CD1 3.8Å; L21-I25 HydrophobicContact CG-CG1 4.45Å; L21-I25 VanDerWaalsContact O-CG1 3.28Å; L21-I25 WeakPolarHBondContact O-CG1 2.93Å; L21-I25 PolarHBondContact O-N 2.71Å; F22-I25 PolarHBondContact O-N 2.75Å; I25-G27 PolarHBondContact O-N 3.35Å; I25-V289 CarbonylContact C-O 3.56Å; I25-V289 WeakPolarHBondContact CG2-O 3.45Å; I25-F290 HydrophobicContact CG2-CD1 4.34Å; I25-C292 HydrophobicContact CG1-CB 3.75Å; I25-V317 HydrophobicContact CD1-CG1 3.7Å; I25-F318 HydrophobicContact CD1-CE2 4.16Å; I25-F318 HydrophobicContact CD1-CZ 4.27Å; I25-V321 HydrophobicContact CB-CG2 4.28Å; I25-V321 HydrophobicContact CG2-CB 4.45Å; I25-V321 HydrophobicContact CG2-CG1 3.67Å; I25-V321 HydrophobicContact CG2-CG2 4.16Å
26V87.1Confident90.5Very high2 Ų218.5 Ų18.51%0.01210%0.099CC..Hα-helixtrans-57.5-42.2-178.6172.80000111.4F22 T28 V30 F223 V321 F324F22-V26 HydrophobicContact CD1-CG2 4.12Å; F22-V26 HydrophobicContact CD2-CG2 4.13Å; F22-V26 HydrophobicContact CE1-CB 4.39Å; F22-V26 HydrophobicContact CE1-CG2 3.74Å; F22-V26 HydrophobicContact CE2-CG2 3.75Å; F22-V26 HydrophobicContact CG-CG2 4.31Å; F22-V26 HydrophobicContact CZ-CG2 3.56Å; F22-V26 WeakPolarHBondContact O-CB 2.86Å; F22-V26 WeakPolarHBondContact O-CG2 3.46Å; F22-V26 PolarHBondContact O-N 3.28Å; V26-T28 PolarHBondContact O-N 3.47Å; V26-V30 HydrophobicContact CG1-CB 3.98Å; V26-V30 HydrophobicContact CG1-CG1 3.55Å; V26-V30 HydrophobicContact CG1-CG2 4.32Å; V26-V30 WeakPolarHBondContact O-CG1 3.39Å; V26-F223 HydrophobicContact CG1-CE1 4.49Å; V26-F223 HydrophobicContact CG1-CE2 3.73Å; V26-F223 HydrophobicContact CG1-CZ 3.64Å; V26-V321 HydrophobicContact CG2-CG1 4.32Å; V26-V321 HydrophobicContact CG2-CG2 4.02Å; V26-F324 HydrophobicContact CG1-CD1 4.31Å; V26-F324 HydrophobicContact CG1-CE1 3.83Å; V26-F324 HydrophobicContact CG2-CD1 4.18Å; V26-F324 HydrophobicContact CG2-CE1 4.48Å
27G82.9Confident91Very high15 Ų1516.4 Ų16.416%0.1559%0.086CC..THydrogen-bonded Turntrans46.8-133.116700000113.5N23 I25N23-G27 PolarHBondContact O-N 2.94Å; N23-G27 VanDerWaalsContact O-N 3.12Å; I25-G27 PolarHBondContact O-N 3.35Å
28T83.3Confident91.4Very high12 Ų1217.5 Ų17.57%0.0749%0.09CC..THydrogen-bonded Turntrans-108.6-25.8-177.659.40000111.2V26 V30 L31 Y146 Y288 L379V26-T28 PolarHBondContact O-N 3.47Å; T28-V30 PolarHBondContact O-N 2.95Å; T28-L31 WeakPolarHBondContact O-CB 3.49Å; T28-L31 PolarHBondContact O-N 3.36Å; T28-L31 VanDerWaalsContact O-N 3.1Å; T28-Y146 HydrophobicContact CG2-CD1 4.43Å; T28-Y146 HydrophobicContact CG2-CE1 3.62Å; T28-Y288 WeakPolarHBondContact OG1-CE1 3.42Å; T28-Y288 PolarHBondContact OG1-OH 3.43Å; T28-L379 HydrophobicContact CG2-CD2 3.09Å
29G88.3Confident91.6Very high1 Ų119.2 Ų19.21%0.0110%0.099CC..G310 helixtrans-57-34.8-178.700000113.4L31 T32 L33 Y288G29-L31 PolarHBondContact O-N 3.43Å; G29-L31 VanDerWaalsContact O-N 3.1Å; G29-T32 PolarHBondContact O-N 3.04Å; G29-T32 PolarHBondContact O-OG1 3.03Å; G29-L33 PolarHBondContact O-N 2.99Å; G29-Y288 VanDerWaalsContact CA-CD1 3.47Å
30V94.4Very high91.8Very high0 Ų016.1 Ų16.10%08%0.083CC..G310 helixtrans-58.4-26179.8700000113.3V26 T28 T32 P34 F223 F324 N325 L328V26-V30 HydrophobicContact CG1-CB 3.98Å; V26-V30 HydrophobicContact CG1-CG1 3.55Å; V26-V30 HydrophobicContact CG1-CG2 4.32Å; V26-V30 WeakPolarHBondContact O-CG1 3.39Å; T28-V30 PolarHBondContact O-N 2.95Å; V30-T32 VanDerWaalsContact C-N 3.28Å; V30-T32 PolarHBondContact O-N 3.5Å; V30-P34 WeakPolarHBondContact O-CD 3.35Å; V30-F223 HydrophobicContact CG1-CE1 3.61Å; V30-F223 HydrophobicContact CG1-CZ 3.69Å; V30-F324 HydrophobicContact CG2-CD1 4.26Å; V30-F324 HydrophobicContact CG2-CE1 3.72Å; V30-N325 WeakPolarHBondContact CG2-OD1 3.41Å; V30-L328 HydrophobicContact CG2-CD2 3.54Å
31L94.8Very high92.2Very high7 Ų711.9 Ų11.94%0.0377%0.065CC..G310 helixtrans-74.3-21.7178.2-56.3179.3000112.5T28 G29 F223 M226 I342 Y343 T344 F374 P375T28-L31 WeakPolarHBondContact O-CB 3.49Å; T28-L31 PolarHBondContact O-N 3.36Å; T28-L31 VanDerWaalsContact O-N 3.1Å; G29-L31 PolarHBondContact O-N 3.43Å; G29-L31 VanDerWaalsContact O-N 3.1Å; L31-F223 HydrophobicContact CD2-CE1 3.99Å; L31-M226 HydrophobicContact CD2-CE 3.94Å; L31-M226 HydrophobicContact CD2-SD 4.5Å; L31-I342 HydrophobicContact CB-CG2 4.25Å; L31-I342 HydrophobicContact CD1-CG2 4.49Å; L31-Y343 VanDerWaalsContact O-CB 3.26Å; L31-Y343 WeakPolarHBondContact O-CB 3.2Å; L31-Y343 PolarHBondContact O-N 2.7Å; L31-T344 HydrophobicContact CD2-CG2 4.2Å; L31-F374 HydrophobicContact CD1-CD1 4.37Å; L31-F374 HydrophobicContact CD1-CE1 3.76Å; L31-F374 HydrophobicContact CD2-CE1 3.93Å; L31-F374 HydrophobicContact CG-CE1 4.4Å; L31-P375 HydrophobicContact CD1-CG 4.28Å
32T96.3Very high92.4Very high5 Ų516.9 Ų16.93%0.0318%0.083CC..THydrogen-bonded Turntrans-98.8-16.318066.70000112.7G29 V30 A36 V285 D341 V435 T439G29-T32 PolarHBondContact O-N 3.04Å; G29-T32 PolarHBondContact O-OG1 3.03Å; V30-T32 VanDerWaalsContact C-N 3.28Å; V30-T32 PolarHBondContact O-N 3.5Å; T32-A36 PolarHBondContact O-N 3.23Å; T32-V285 WeakPolarHBondContact OG1-CG1 3.23Å; T32-D341 WeakPolarHBondContact CA-O 3.46Å; T32-D341 WeakPolarHBondContact CG2-O 3.27Å; T32-V435 HydrophobicContact CG2-CG1 3.96Å; T32-T439 WeakPolarHBondContact OG1-CG2 3.32Å
33L97.1Very high92.6Very high0 Ų021 Ų210%011%0.105CC..Hα-helixtrans-61.9-44.9-177.2-177.165.5000113.4G29 A35 A36 F37 V49 L282 V285 V289 N325G29-L33 PolarHBondContact O-N 2.99Å; L33-A35 VanDerWaalsContact C-N 3.31Å; L33-A35 PolarHBondContact O-N 3.48Å; L33-A36 PolarHBondContact O-N 3.46Å; L33-F37 VanDerWaalsContact O-CB 3.22Å; L33-F37 WeakPolarHBondContact O-CB 3.43Å; L33-F37 PolarHBondContact O-N 2.71Å; L33-V49 HydrophobicContact CD1-CG2 4.31Å; L33-L282 HydrophobicContact CD1-CD1 4.23Å; L33-V285 HydrophobicContact CB-CG1 4.22Å; L33-V285 HydrophobicContact CD1-CG1 4.07Å; L33-V289 HydrophobicContact CB-CG2 4.19Å; L33-V289 HydrophobicContact CD2-CG2 4.5Å; L33-N325 HydrophobicContact CD2-CB 3.7Å; L33-N325 VanDerWaalsContact CD2-OD1 3.28Å; L33-N325 WeakPolarHBondContact CD2-OD1 3.39Å
34P97.2Very high92.9Very high0 Ų022.2 Ų22.20%011%0.111CC..Hα-helixtrans-55.3-40.5-179.4-31.839.5000114.5V30 F37 Q38 A332 I339 Y343V30-P34 WeakPolarHBondContact O-CD 3.35Å; P34-F37 PolarHBondContact O-N 2.97Å; P34-Q38 PolarHBondContact O-N 3.04Å; P34-A332 HydrophobicContact CB-CB 3.75Å; P34-A332 HydrophobicContact CG-CB 4.37Å; P34-I339 HydrophobicContact CB-CD1 4.17Å; P34-I339 HydrophobicContact CB-CG2 3.88Å; P34-Y343 HydrophobicContact CB-CD2 4.25Å; P34-Y343 HydrophobicContact CB-CG 4.23Å; P34-Y343 HydrophobicContact CG-CD1 4.02Å; P34-Y343 HydrophobicContact CG-CD2 4.43Å; P34-Y343 HydrophobicContact CG-CG 3.94Å
35A96.2Very high93.3Very high3 Ų318.9 Ų18.93%0.0259%0.094CC..Hα-helixtrans-65.9-48177.100000111.6L33 F37 Q38 Q39 I339L33-A35 VanDerWaalsContact C-N 3.31Å; L33-A35 PolarHBondContact O-N 3.48Å; A35-F37 VanDerWaalsContact C-N 3.28Å; A35-F37 PolarHBondContact O-N 3.35Å; A35-Q38 PolarHBondContact O-N 3.02Å; A35-Q39 VanDerWaalsContact O-CG 3.28Å; A35-Q39 WeakPolarHBondContact O-CG 3.42Å; A35-Q39 PolarHBondContact O-N 3.32Å; A35-I339 HydrophobicContact CB-CB 4.43Å; A35-I339 HydrophobicContact CB-CG2 4.01Å
36A95.7Very high93.6Very high5 Ų520.1 Ų20.14%0.04110%0.103CC..Hα-helixtrans-62.8-36.5176.600000112.3T32 L33 Q39 A40 L282 V285T32-A36 PolarHBondContact O-N 3.23Å; L33-A36 PolarHBondContact O-N 3.46Å; A36-Q39 PolarHBondContact O-N 3.41Å; A36-A40 PolarHBondContact O-N 3.32Å; A36-L282 HydrophobicContact CB-CD1 4.21Å; A36-V285 HydrophobicContact CB-CB 4.11Å; A36-V285 HydrophobicContact CB-CG1 4.23Å; A36-V285 HydrophobicContact CB-CG2 4Å
37F96.3Very high94Very high1 Ų123 Ų230%0.00412%0.122CC..Hα-helixtrans-64.9-41.2177.2-162.8-79.8000111.8L33 P34 A35 G41 W42 S45 S46 V49 L326 I333L33-F37 VanDerWaalsContact O-CB 3.22Å; L33-F37 WeakPolarHBondContact O-CB 3.43Å; L33-F37 PolarHBondContact O-N 2.71Å; P34-F37 PolarHBondContact O-N 2.97Å; A35-F37 VanDerWaalsContact C-N 3.28Å; A35-F37 PolarHBondContact O-N 3.35Å; F37-G41 CarbonylContact O-C 3.56Å; F37-G41 PolarHBondContact O-N 3.44Å; F37-G41 VanDerWaalsContact O-N 3.15Å; F37-W42 HydrophobicContact CE1-CB 4Å; F37-S45 WeakPolarHBondContact CA-OG 3.48Å; F37-S45 VanDerWaalsContact CE2-CB 3.45Å; F37-S45 VanDerWaalsContact CG-CB 3.45Å; F37-S45 PolarHBondContact O-OG 2.97Å; F37-S46 WeakPolarHBondContact CZ-OG 3.34Å; F37-V49 HydrophobicContact CD2-CG2 4.2Å; F37-V49 HydrophobicContact CE2-CG2 4.18Å; F37-L326 HydrophobicContact CE2-CD2 4.11Å; F37-L326 HydrophobicContact CZ-CD2 4.45Å; F37-I333 HydrophobicContact CD1-CD1 4.27Å; F37-I333 HydrophobicContact CD1-CG2 4.16Å; F37-I333 HydrophobicContact CE1-CD1 3.98Å
38Q96.2Very high94.6Very high25 Ų2523.3 Ų23.312%0.11712%0.121CC..Hα-helixtrans-66.1-44.1174.7-166.1-178.536.700111.7P34 A35 G41 I333 F336 N337 I339P34-Q38 PolarHBondContact O-N 3.04Å; A35-Q38 PolarHBondContact O-N 3.02Å; Q38-G41 PolarHBondContact O-N 3.35Å; Q38-I333 HydrophobicContact CB-CG2 3.84Å; Q38-I333 HydrophobicContact CG-CG2 4.12Å; Q38-F336 PolarHBondContact NE2-O 2.95Å; Q38-N337 PolarHBondContact NE2-O 3.29Å; Q38-I339 HydrophobicContact CB-CD1 4.08Å; Q38-I339 HydrophobicContact CG-CD1 4.46Å; Q38-I339 VanDerWaalsContact OE1-N 3.11Å
39Q94Very high95.2Very high84 Ų8422.8 Ų22.839%0.39312%0.118SC..Hα-helixtrans-67.4-38.6-177-72.5171.68.900113.2A35 A36 Q275 N278A35-Q39 VanDerWaalsContact O-CG 3.28Å; A35-Q39 WeakPolarHBondContact O-CG 3.42Å; A35-Q39 PolarHBondContact O-N 3.32Å; A36-Q39 PolarHBondContact O-N 3.41Å; Q39-Q275 WeakPolarHBondContact O-CB 3.35Å; Q39-Q275 PolarHBondContact O-OE1 3.15Å; Q39-N278 HydrophobicContact CB-CB 4.01Å; Q39-N278 WeakPolarHBondContact O-CB 3.42Å; Q39-N278 PolarHBondContact O-ND2 3.45Å
40A94.3Very high95.7Very high0 Ų025.9 Ų25.90%014%0.137CC..Hα-helixtrans-79.7-22.6175.400000112.4A36 I44 S45 Q275 N278 L282A36-A40 PolarHBondContact O-N 3.32Å; A40-I44 HydrophobicContact CB-CG2 4.26Å; A40-I44 WeakPolarHBondContact O-CG2 3.49Å; A40-S45 WeakPolarHBondContact CB-OG 3.03Å; A40-Q275 PolarHBondContact O-N 3.1Å; A40-N278 HydrophobicContact CB-CB 4.33Å; A40-L282 HydrophobicContact CB-CB 3.95Å; A40-L282 HydrophobicContact CB-CD2 3.74Å; A40-L282 HydrophobicContact CB-CG 4.33Å
41G95.4Very high95.8Very high0 Ų029.8 Ų29.80%016%0.157CC..  trans99.5147.2-178.700000112.3F37 Q38 L43 I44 S45 P272F37-G41 CarbonylContact O-C 3.56Å; F37-G41 PolarHBondContact O-N 3.44Å; F37-G41 VanDerWaalsContact O-N 3.15Å; Q38-G41 PolarHBondContact O-N 3.35Å; G41-L43 PolarHBondContact O-N 3.04Å; G41-I44 WeakPolarHBondContact O-CG2 3.35Å; G41-S45 WeakPolarHBondContact O-CB 3.19Å; G41-S45 PolarHBondContact O-N 3.02Å; G41-S45 PolarHBondContact O-OG 3.39Å; G41-P272 CarbonylContact C-O 3.59Å; G41-P272 WeakPolarHBondContact CA-O 3.46Å
42W94.9Very high95.8Very high108 Ų10829.5 Ų29.541%0.40916%0.155SC..Hα-helixtrans-67.2-36.2-161.969.6-94.5000114F37 S46 P272 I333F37-W42 HydrophobicContact CE1-CB 4Å; W42-S46 WeakPolarHBondContact O-CB 3.43Å; W42-S46 PolarHBondContact O-N 3.29Å; W42-S46 PolarHBondContact O-OG 3.03Å; W42-P272 VanDerWaalsContact CD1-O 3.29Å; W42-P272 PolarHBondContact N-O 3.37Å; W42-I333 HydrophobicContact CB-CD1 3.32Å; W42-I333 HydrophobicContact CG-CD1 4.28Å
43L95.3Very high95.8Very high88 Ų8829.6 Ų29.646%0.46116%0.156SC..Hα-helixtrans-74.2-51.5-175.2-179.661.6000110.4G41 S45 S46 C47 A273G41-L43 PolarHBondContact O-N 3.04Å; L43-S45 VanDerWaalsContact C-N 3.3Å; L43-S45 PolarHBondContact O-N 3.45Å; L43-S46 PolarHBondContact O-N 3.09Å; L43-C47 PolarHBondContact O-N 2.94Å; L43-C47 VanDerWaalsContact O-N 3.13Å; L43-C47 PolarHBondContact O-SG 3.21Å; L43-A273 PolarHBondContact N-O 2.93Å
44I93.5Very high95.8Very high38 Ų3834 Ų3420%0.19518%0.175CC..Hα-helixtrans-64.5-38.1177.3-169.362.4000111.3A40 G41 S46 C47 V48 F274 I279A40-I44 HydrophobicContact CB-CG2 4.26Å; A40-I44 WeakPolarHBondContact O-CG2 3.49Å; G41-I44 WeakPolarHBondContact O-CG2 3.35Å; I44-S46 VanDerWaalsContact C-N 3.35Å; I44-S46 PolarHBondContact O-N 3.49Å; I44-C47 PolarHBondContact O-N 3.34Å; I44-V48 HydrophobicContact CD1-CG2 4.18Å; I44-V48 HydrophobicContact CG1-CG2 4.09Å; I44-V48 WeakPolarHBondContact O-CB 3.31Å; I44-V48 VanDerWaalsContact O-CG2 3.26Å; I44-V48 WeakPolarHBondContact O-CG2 3.42Å; I44-V48 PolarHBondContact O-N 3.05Å; I44-F274 HydrophobicContact CB-CD2 3.93Å; I44-F274 HydrophobicContact CB-CE2 4.34Å; I44-F274 HydrophobicContact CD1-CE2 4.2Å; I44-F274 HydrophobicContact CG1-CD2 4.24Å; I44-F274 HydrophobicContact CG1-CE2 4.14Å; I44-F274 HydrophobicContact CG2-CD2 4.2Å; I44-I279 HydrophobicContact CG1-CD1 3.97Å; I44-I279 HydrophobicContact CG1-CG1 4.29Å
45S96.5Very high95.8Very high0 Ų034.7 Ų34.70%018%0.179CC..Hα-helixtrans-64.3-41.1177.8-57.50000111.9F37 A40 G41 L43 C47 V48 V49F37-S45 WeakPolarHBondContact CA-OG 3.48Å; F37-S45 VanDerWaalsContact CE2-CB 3.45Å; F37-S45 VanDerWaalsContact CG-CB 3.45Å; F37-S45 PolarHBondContact O-OG 2.97Å; A40-S45 WeakPolarHBondContact CB-OG 3.03Å; G41-S45 WeakPolarHBondContact O-CB 3.19Å; G41-S45 PolarHBondContact O-N 3.02Å; G41-S45 PolarHBondContact O-OG 3.39Å; L43-S45 VanDerWaalsContact C-N 3.3Å; L43-S45 PolarHBondContact O-N 3.45Å; S45-C47 PolarHBondContact O-N 3.23Å; S45-V48 PolarHBondContact O-N 3.42Å; S45-V49 VanDerWaalsContact O-CB 3.28Å; S45-V49 WeakPolarHBondContact O-CB 3.12Å; S45-V49 WeakPolarHBondContact O-CG2 3.39Å; S45-V49 PolarHBondContact O-N 2.96Å
46S96.7Very high95.8Very high29 Ų2934.5 Ų34.520%0.20318%0.178CC..Hα-helixtrans-57.9-49173.7-59.90000111.5F37 W42 L43 I44 V50F37-S46 WeakPolarHBondContact CZ-OG 3.34Å; W42-S46 WeakPolarHBondContact O-CB 3.43Å; W42-S46 PolarHBondContact O-N 3.29Å; W42-S46 PolarHBondContact O-OG 3.03Å; L43-S46 PolarHBondContact O-N 3.09Å; I44-S46 VanDerWaalsContact C-N 3.35Å; I44-S46 PolarHBondContact O-N 3.49Å; S46-V50 VanDerWaalsContact O-CG2 3.26Å; S46-V50 WeakPolarHBondContact O-CG2 3.2Å; S46-V50 PolarHBondContact O-N 3.36Å; S46-V50 VanDerWaalsContact O-N 3.13Å
47C95.8Very high95.8Very high62 Ų6235.5 Ų35.542%0.41918%0.181SC..Hα-helixtrans-62.7-47.1179-66.10000112.3L43 I44 S45 V50 I51L43-C47 PolarHBondContact O-N 2.94Å; L43-C47 VanDerWaalsContact O-N 3.13Å; L43-C47 PolarHBondContact O-SG 3.21Å; I44-C47 PolarHBondContact O-N 3.34Å; S45-C47 PolarHBondContact O-N 3.23Å; C47-V50 PolarHBondContact O-N 3.4Å; C47-I51 VanDerWaalsContact O-CG1 3.31Å; C47-I51 WeakPolarHBondContact O-CG1 3.1Å; C47-I51 PolarHBondContact O-N 3.43Å
48V94.2Very high95.8Very high22 Ų2235.4 Ų35.413%0.13318%0.181CC..Hα-helixtrans-64.5-43.5-178.9168.80000111I44 S45 V50 I51 L52 L282I44-V48 HydrophobicContact CD1-CG2 4.18Å; I44-V48 HydrophobicContact CG1-CG2 4.09Å; I44-V48 WeakPolarHBondContact O-CB 3.31Å; I44-V48 VanDerWaalsContact O-CG2 3.26Å; I44-V48 WeakPolarHBondContact O-CG2 3.42Å; I44-V48 PolarHBondContact O-N 3.05Å; S45-V48 PolarHBondContact O-N 3.42Å; V48-V50 VanDerWaalsContact C-N 3.33Å; V48-V50 PolarHBondContact O-N 3.49Å; V48-I51 PolarHBondContact O-N 3.1Å; V48-L52 HydrophobicContact CG1-CD1 3.53Å; V48-L52 HydrophobicContact CG1-CG 4.1Å; V48-L52 WeakPolarHBondContact O-CB 3.4Å; V48-L52 VanDerWaalsContact O-CG 3.27Å; V48-L52 WeakPolarHBondContact O-CG 3.36Å; V48-L52 PolarHBondContact O-N 3.21Å; V48-L282 HydrophobicContact CB-CD2 3.82Å; V48-L282 HydrophobicContact CG1-CD2 3.74Å; V48-L282 HydrophobicContact CG1-CG 4.17Å; V48-L282 HydrophobicContact CG2-CD2 4.25Å
49V96.6Very high95.8Very high0 Ų034.2 Ų34.20%018%0.175CC..Hα-helixtrans-59.7-43.6176.5169.40000110.9L33 F37 S45 C53 F290 L322 L326L33-V49 HydrophobicContact CD1-CG2 4.31Å; F37-V49 HydrophobicContact CD2-CG2 4.2Å; F37-V49 HydrophobicContact CE2-CG2 4.18Å; S45-V49 VanDerWaalsContact O-CB 3.28Å; S45-V49 WeakPolarHBondContact O-CB 3.12Å; S45-V49 WeakPolarHBondContact O-CG2 3.39Å; S45-V49 PolarHBondContact O-N 2.96Å; V49-C53 WeakPolarHBondContact O-CB 3.45Å; V49-C53 PolarHBondContact O-N 2.9Å; V49-F290 HydrophobicContact CG1-CE2 4.09Å; V49-F290 HydrophobicContact CG1-CZ 3.94Å; V49-L322 HydrophobicContact CG1-CD1 3.74Å; V49-L326 HydrophobicContact CB-CD2 4.21Å; V49-L326 HydrophobicContact CG1-CD2 3.98Å; V49-L326 HydrophobicContact CG1-CG 4.33Å
50V97.9Very high95.9Very high66 Ų6630.2 Ų30.240%0.416%0.156SC..Hα-helixtrans-63.1-47.8177171.80000111.4S46 C47 V48 C53 F54 L322 L326S46-V50 VanDerWaalsContact O-CG2 3.26Å; S46-V50 WeakPolarHBondContact O-CG2 3.2Å; S46-V50 PolarHBondContact O-N 3.36Å; S46-V50 VanDerWaalsContact O-N 3.13Å; C47-V50 PolarHBondContact O-N 3.4Å; V48-V50 VanDerWaalsContact C-N 3.33Å; V48-V50 PolarHBondContact O-N 3.49Å; V50-C53 PolarHBondContact O-N 3.36Å; V50-F54 PolarHBondContact O-N 3.48Å; V50-L322 HydrophobicContact CG2-CD1 4.05Å; V50-L322 HydrophobicContact CG2-CD2 4.32Å; V50-L326 HydrophobicContact CG2-CD1 4.21Å
51I96Very high96Very high83 Ų8330.5 Ų30.543%0.42616%0.158SC..Hα-helixtrans-61.8-48.3179.5-68.7166.2000110.4C47 V48 C53 F54 L55C47-I51 VanDerWaalsContact O-CG1 3.31Å; C47-I51 WeakPolarHBondContact O-CG1 3.1Å; C47-I51 PolarHBondContact O-N 3.43Å; V48-I51 PolarHBondContact O-N 3.1Å; I51-C53 VanDerWaalsContact C-N 3.34Å; I51-C53 PolarHBondContact O-N 3.15Å; I51-F54 WeakPolarHBondContact O-CB 3.47Å; I51-F54 PolarHBondContact O-N 3.12Å; I51-F54 VanDerWaalsContact O-N 3.17Å; I51-L55 HydrophobicContact CG2-CD1 3.99Å; I51-L55 HydrophobicContact CG2-CG 4.36Å; I51-L55 WeakPolarHBondContact O-CG 3.31Å; I51-L55 PolarHBondContact O-N 3.16Å
52L95.5Very high96Very high1 Ų130.5 Ų30.51%0.00516%0.158CC..Hα-helixtrans-68.8-33.1-177.9-66.8177.7000112.4V48 L55 S56 F283 C286 F290 Y452 W560V48-L52 HydrophobicContact CG1-CD1 3.53Å; V48-L52 HydrophobicContact CG1-CG 4.1Å; V48-L52 WeakPolarHBondContact O-CB 3.4Å; V48-L52 VanDerWaalsContact O-CG 3.27Å; V48-L52 WeakPolarHBondContact O-CG 3.36Å; V48-L52 PolarHBondContact O-N 3.21Å; L52-L55 HydrophobicContact CD2-CD1 4.45Å; L52-L55 PolarHBondContact O-N 3.5Å; L52-S56 VanDerWaalsContact O-CB 3.29Å; L52-S56 WeakPolarHBondContact O-CB 3.16Å; L52-S56 PolarHBondContact O-N 3.32Å; L52-F283 HydrophobicContact CD1-CD2 3.86Å; L52-F283 HydrophobicContact CD2-CD2 3.77Å; L52-F283 HydrophobicContact CD2-CE2 3.73Å; L52-F283 HydrophobicContact CG-CD2 4.5Å; L52-C286 HydrophobicContact CB-CB 4.26Å; L52-C286 HydrophobicContact CD1-CB 3.26Å; L52-C286 HydrophobicContact CG-CB 4.39Å; L52-F290 HydrophobicContact CB-CD2 4.47Å; L52-Y452 WeakPolarHBondContact CD2-OH 3.41Å; L52-W560 HydrophobicContact CD2-CZ2 3.81Å
53C97.3Very high96Very high7 Ų725.3 Ų25.35%0.04714%0.138CC..Hα-helixtrans-60.6-46.8169.7-177.10000111.2V49 V50 I51 S56 F57 F290 L322V49-C53 WeakPolarHBondContact O-CB 3.45Å; V49-C53 PolarHBondContact O-N 2.9Å; V50-C53 PolarHBondContact O-N 3.36Å; I51-C53 VanDerWaalsContact C-N 3.34Å; I51-C53 PolarHBondContact O-N 3.15Å; C53-S56 WeakPolarHBondContact O-CB 3.33Å; C53-S56 PolarHBondContact O-N 3.36Å; C53-F57 PolarHBondContact O-N 3.03Å; C53-F290 HydrophobicContact CB-CD1 4.3Å; C53-F290 HydrophobicContact CB-CD2 4.39Å; C53-F290 HydrophobicContact CB-CE1 3.74Å; C53-F290 HydrophobicContact CB-CE2 3.87Å; C53-F290 HydrophobicContact CB-CZ 3.52Å; C53-L322 HydrophobicContact CB-CD1 3.99Å
54F96.7Very high96Very high91 Ų9121.5 Ų21.540%0.39912%0.118SC..Hα-helixtrans-62.4-46.1177.8171.5-100.5000111.9V50 I51 S56 F57 L58 F548 W553V50-F54 PolarHBondContact O-N 3.48Å; I51-F54 WeakPolarHBondContact O-CB 3.47Å; I51-F54 PolarHBondContact O-N 3.12Å; I51-F54 VanDerWaalsContact O-N 3.17Å; F54-S56 VanDerWaalsContact C-N 3.3Å; F54-S56 PolarHBondContact O-N 3.44Å; F54-F57 PolarHBondContact O-N 3.26Å; F54-L58 HydrophobicContact CE1-CD1 4.27Å; F54-L58 HydrophobicContact CZ-CD1 4.43Å; F54-L58 WeakPolarHBondContact O-CB 3.49Å; F54-L58 PolarHBondContact O-N 2Å; F54-F548 HydrophobicContact CE2-CE1 4.18Å; F54-F548 AromaticContact CE2-CZ 3.77Å; F54-F548 HydrophobicContact CE2-CZ 3.77Å; F54-F548 AromaticContact CZ-CE1 3.8Å; F54-F548 HydrophobicContact CZ-CE1 3.8Å; F54-F548 AromaticContact CZ-CZ 3.81Å; F54-F548 HydrophobicContact CZ-CZ 3.81Å; F54-W553 HydrophobicContact CE1-CZ3 4.4Å
55L96Very high96Very high15 Ų1519.7 Ų19.78%0.07911%0.109CC..Hα-helixtrans-65.6-34.3177.9-62.9177.3000112.1I51 L52 T59 Y452 I557 W560I51-L55 HydrophobicContact CG2-CD1 3.99Å; I51-L55 HydrophobicContact CG2-CG 4.36Å; I51-L55 WeakPolarHBondContact O-CG 3.31Å; I51-L55 PolarHBondContact O-N 3.16Å; L52-L55 HydrophobicContact CD2-CD1 4.45Å; L52-L55 PolarHBondContact O-N 3.5Å; L55-T59 PolarHBondContact O-N 2.88Å; L55-T59 VanDerWaalsContact O-N 3.09Å; L55-T59 PolarHBondContact O-OG1 3.17Å; L55-Y452 HydrophobicContact CB-CE1 3.94Å; L55-I557 HydrophobicContact CB-CD1 4.13Å; L55-I557 HydrophobicContact CD2-CD1 3.71Å; L55-I557 HydrophobicContact CG-CD1 4.4Å; L55-W560 HydrophobicContact CD1-CD2 4.03Å; L55-W560 HydrophobicContact CD1-CG 4.06Å; L55-W560 HydrophobicContact CD1-CZ2 4.18Å
56S96.2Very high95.9Very high0 Ų019.7 Ų19.70%011%0.109CC..Hα-helixtrans-63.6-46.3171.5-173.10000111.5L52 C53 F54 L58 T59 F60 F290 H293 Q451L52-S56 VanDerWaalsContact O-CB 3.29Å; L52-S56 WeakPolarHBondContact O-CB 3.16Å; L52-S56 PolarHBondContact O-N 3.32Å; C53-S56 WeakPolarHBondContact O-CB 3.33Å; C53-S56 PolarHBondContact O-N 3.36Å; F54-S56 VanDerWaalsContact C-N 3.3Å; F54-S56 PolarHBondContact O-N 3.44Å; S56-L58 PolarHBondContact O-N 2.92Å; S56-T59 PolarHBondContact O-N 3.47Å; S56-T59 PolarHBondContact O-OG1 2.96Å; S56-F60 VanDerWaalsContact O-CB 3.24Å; S56-F60 WeakPolarHBondContact O-CB 3.46Å; S56-F60 PolarHBondContact O-N 3.33Å; S56-F290 PolarHBondContact OG-O 3.07Å; S56-H293 PolarHBondContact O-NE2 3.19Å; S56-H293 PolarHBondContact OG-CE1 2.89Å; S56-Q451 VanDerWaalsContact CB-NE2 3.28Å; S56-Q451 PolarHBondContact OG-NE2 2.79Å
57F96.9Very high95.7Very high25 Ų2518.3 Ų18.311%0.1110%0.099CC..Hα-helixtrans-61.3-43.5175.7173.9-103.9000112.1C53 F54 T59 F60 T61 L310 F314 I315 F318 F548C53-F57 PolarHBondContact O-N 3.03Å; F54-F57 PolarHBondContact O-N 3.26Å; F57-T59 PolarHBondContact O-N 3.48Å; F57-F60 VanDerWaalsContact O-CB 3.32Å; F57-F60 WeakPolarHBondContact O-CB 3.37Å; F57-F60 PolarHBondContact O-N 3.34Å; F57-T61 HydrophobicContact CE1-CG2 4.26Å; F57-T61 HydrophobicContact CE2-CG2 4.29Å; F57-T61 HydrophobicContact CZ-CG2 4.05Å; F57-T61 WeakPolarHBondContact O-CG2 3.25Å; F57-T61 PolarHBondContact O-N 3.21Å; F57-L310 HydrophobicContact CE2-CD1 4.07Å; F57-L310 HydrophobicContact CZ-CD1 3.77Å; F57-F314 HydrophobicContact CE2-CB 4.17Å; F57-I315 HydrophobicContact CE1-CG1 4.48Å; F57-I315 HydrophobicContact CE2-CG1 3.85Å; F57-I315 HydrophobicContact CZ-CD1 4.33Å; F57-I315 HydrophobicContact CZ-CG1 3.53Å; F57-F318 HydrophobicContact CB-CD1 3.78Å; F57-F318 HydrophobicContact CB-CD2 4.39Å; F57-F318 HydrophobicContact CB-CE1 3.94Å; F57-F318 HydrophobicContact CB-CG 4.01Å; F57-F318 HydrophobicContact CB-CZ 4.3Å; F57-F318 HydrophobicContact CD2-CB 4.33Å; F57-F318 AromaticContact CD2-CD2 3.67Å; F57-F318 HydrophobicContact CD2-CD2 3.67Å; F57-F318 HydrophobicContact CD2-CE2 4.04Å; F57-F318 AromaticContact CD2-CG 3.92Å; F57-F318 HydrophobicContact CD2-CG 3.92Å; F57-F318 HydrophobicContact CG-CG 4.4Å; F57-F548 HydrophobicContact CD1-CE2 4.34Å; F57-F548 HydrophobicContact CE1-CE2 4.22Å
58L96.1Very high95.6Very high0 Ų015.3 Ų15.30%08%0.079CC..Hα-helixtrans-56.4-52.3177-179.7160.4000110.7F54 S56 F60 T61 F62 F548 W553 I557F54-L58 HydrophobicContact CE1-CD1 4.27Å; F54-L58 HydrophobicContact CZ-CD1 4.43Å; F54-L58 WeakPolarHBondContact O-CB 3.49Å; F54-L58 PolarHBondContact O-N 2Å; S56-L58 PolarHBondContact O-N 2.92Å; L58-F60 VanDerWaalsContact C-N 3.31Å; L58-F60 PolarHBondContact O-N 3.13Å; L58-T61 PolarHBondContact O-N 3.31Å; L58-T61 VanDerWaalsContact O-N 3.16Å; L58-T61 PolarHBondContact O-OG1 3.36Å; L58-F62 HydrophobicContact CD2-CD2 4.03Å; L58-F62 HydrophobicContact CD2-CE1 4.01Å; L58-F62 HydrophobicContact CD2-CE2 3.36Å; L58-F62 HydrophobicContact CD2-CZ 3.36Å; L58-F62 HydrophobicContact CG-CZ 4.35Å; L58-F62 PolarHBondContact O-N 3.09Å; L58-F548 HydrophobicContact CB-CD2 4.08Å; L58-F548 HydrophobicContact CB-CE2 3.98Å; L58-F548 HydrophobicContact CB-CZ 4.49Å; L58-F548 HydrophobicContact CD1-CB 4.43Å; L58-F548 HydrophobicContact CD1-CD1 3.97Å; L58-F548 HydrophobicContact CD1-CD2 4.18Å; L58-F548 HydrophobicContact CD1-CE1 4.24Å; L58-F548 HydrophobicContact CD1-CE2 4.43Å; L58-F548 HydrophobicContact CD1-CG 3.94Å; L58-F548 HydrophobicContact CD1-CZ 4.46Å; L58-F548 HydrophobicContact CG-CB 4.21Å; L58-F548 HydrophobicContact CG-CD1 4.3Å; L58-F548 HydrophobicContact CG-CD2 3.61Å; L58-F548 HydrophobicContact CG-CE2 3.98Å; L58-F548 HydrophobicContact CG-CG 3.78Å; L58-F548 HydrophobicContact CG-CZ 4.48Å; L58-W553 HydrophobicContact CD1-CB 4.46Å; L58-W553 HydrophobicContact CD1-CD2 4Å; L58-W553 HydrophobicContact CD1-CE3 3.48Å; L58-W553 VanDerWaalsContact CD1-CE3 3.48Å; L58-W553 HydrophobicContact CD1-CG 4.44Å; L58-W553 HydrophobicContact CD1-CZ3 4.01Å; L58-I557 HydrophobicContact CD2-CD1 3.9Å; L58-I557 HydrophobicContact CD2-CG1 3.71Å
59T96.4Very high95.5Very high0 Ų014.3 Ų14.30%07%0.073CC..Hα-helixtrans-70.9-26.6179.649.20000113.4L55 S56 F57 T61 F62 V63 H293 Q451 Y452 I557L55-T59 PolarHBondContact O-N 2.88Å; L55-T59 VanDerWaalsContact O-N 3.09Å; L55-T59 PolarHBondContact O-OG1 3.17Å; S56-T59 PolarHBondContact O-N 3.47Å; S56-T59 PolarHBondContact O-OG1 2.96Å; F57-T59 PolarHBondContact O-N 3.48Å; T59-T61 VanDerWaalsContact C-N 3.3Å; T59-T61 PolarHBondContact O-N 3.35Å; T59-F62 HydrophobicContact CG2-CD2 4.26Å; T59-F62 WeakPolarHBondContact O-CB 3.23Å; T59-F62 PolarHBondContact O-N 3.2Å; T59-F62 VanDerWaalsContact O-N 3.16Å; T59-V63 PolarHBondContact O-N 3.09Å; T59-H293 PolarHBondContact OG1-NE2 3.01Å; T59-Q451 WeakPolarHBondContact CB-O 3.49Å; T59-Q451 WeakPolarHBondContact CG2-O 3.27Å; T59-Q451 PolarHBondContact OG1-O 3.45Å; T59-Y452 HydrophobicContact CG2-CD1 4.06Å; T59-I557 HydrophobicContact CG2-CD1 3.89Å; T59-I557 HydrophobicContact CG2-CG1 4.19Å; T59-I557 HydrophobicContact CG2-CG2 3.73Å
60F96.2Very high95.3Very high0 Ų014.3 Ų14.30%07%0.073CC..Hα-helixtrans-59.2-45169.9178.2-78000110L21 S56 F57 L58 F62 V63 I64 H293 I296 F314 F318L21-F60 HydrophobicContact CD1-CE2 3.93Å; L21-F60 HydrophobicContact CD1-CZ 4.41Å; L21-F60 HydrophobicContact CD2-CE2 4.13Å; L21-F60 HydrophobicContact CD2-CZ 3.96Å; S56-F60 VanDerWaalsContact O-CB 3.24Å; S56-F60 WeakPolarHBondContact O-CB 3.46Å; S56-F60 PolarHBondContact O-N 3.33Å; F57-F60 VanDerWaalsContact O-CB 3.32Å; F57-F60 WeakPolarHBondContact O-CB 3.37Å; F57-F60 PolarHBondContact O-N 3.34Å; L58-F60 VanDerWaalsContact C-N 3.31Å; L58-F60 PolarHBondContact O-N 3.13Å; F60-F62 VanDerWaalsContact C-N 3.25Å; F60-F62 PolarHBondContact O-N 2.86Å; F60-V63 PolarHBondContact O-N 3.46Å; F60-I64 HydrophobicContact CD1-CG1 3.98Å; F60-I64 HydrophobicContact CE1-CD1 4.03Å; F60-I64 HydrophobicContact CE1-CG1 3.62Å; F60-I64 HydrophobicContact CZ-CD1 4.27Å; F60-I64 HydrophobicContact CZ-CG1 4.3Å; F60-I64 WeakPolarHBondContact O-CG1 3.25Å; F60-I64 PolarHBondContact O-N 3.43Å; F60-H293 PolarHBondContact N-NE2 3.37Å; F60-H293 VanDerWaalsContact N-NE2 3.12Å; F60-I296 HydrophobicContact CB-CD1 4.4Å; F60-I296 HydrophobicContact CD2-CD1 3.22Å; F60-I296 HydrophobicContact CD2-CG1 3.85Å; F60-I296 HydrophobicContact CE2-CD1 3.41Å; F60-I296 VanDerWaalsContact CE2-CD1 3.41Å; F60-I296 HydrophobicContact CE2-CG1 3.54Å; F60-I296 HydrophobicContact CE2-CG2 4.41Å; F60-I296 HydrophobicContact CG-CD1 3.83Å; F60-I296 HydrophobicContact CZ-CD1 4.16Å; F60-I296 HydrophobicContact CZ-CG1 4.29Å; F60-I296 HydrophobicContact CZ-CG2 4.35Å; F60-F314 HydrophobicContact CD1-CD2 4.43Å; F60-F314 HydrophobicContact CD1-CG 4.41Å; F60-F314 HydrophobicContact CE1-CB 4.06Å; F60-F314 AromaticContact CE1-CD1 3.62Å; F60-F314 HydrophobicContact CE1-CD1 3.62Å; F60-F314 AromaticContact CE1-CD2 3.61Å; F60-F314 HydrophobicContact CE1-CD2 3.61Å; F60-F314 AromaticContact CE1-CE1 3.89Å; F60-F314 HydrophobicContact CE1-CE1 3.89Å; F60-F314 AromaticContact CE1-CE2 3.87Å; F60-F314 HydrophobicContact CE1-CE2 3.87Å; F60-F314 AromaticContact CE1-CG 3.5Å; F60-F314 HydrophobicContact CE1-CG 3.5Å; F60-F314 VanDerWaalsContact CE1-CG 3.5Å; F60-F314 HydrophobicContact CE1-CZ 4Å; F60-F314 AromaticContact CZ-CD1 3.72Å; F60-F314 HydrophobicContact CZ-CD1 3.72Å; F60-F314 HydrophobicContact CZ-CD2 4.49Å; F60-F314 AromaticContact CZ-CE1 3.83Å; F60-F314 HydrophobicContact CZ-CE1 3.83Å; F60-F314 HydrophobicContact CZ-CG 4.09Å; F60-F314 HydrophobicContact CZ-CZ 4.26Å; F60-F318 HydrophobicContact CB-CE2 4.2Å; F60-F318 HydrophobicContact CB-CZ 3.97Å; F60-F318 HydrophobicContact CD1-CE2 4.34Å; F60-F318 AromaticContact CD2-CE2 3.82Å; F60-F318 HydrophobicContact CD2-CE2 3.82Å; F60-F318 AromaticContact CD2-CZ 3.95Å; F60-F318 HydrophobicContact CD2-CZ 3.95Å; F60-F318 HydrophobicContact CE2-CE2 4.29Å; F60-F318 AromaticContact CG-CE2 3.87Å; F60-F318 HydrophobicContact CG-CE2 3.87Å; F60-F318 HydrophobicContact CG-CZ 4.06Å
61T95.3Very high95Very high5 Ų511.4 Ų11.43%0.0316%0.055CC..Hα-helixtrans-64-29.6176.5690000113F57 L58 T59 I64 E65 L310 S546F57-T61 HydrophobicContact CE1-CG2 4.26Å; F57-T61 HydrophobicContact CE2-CG2 4.29Å; F57-T61 HydrophobicContact CZ-CG2 4.05Å; F57-T61 WeakPolarHBondContact O-CG2 3.25Å; F57-T61 PolarHBondContact O-N 3.21Å; L58-T61 PolarHBondContact O-N 3.31Å; L58-T61 VanDerWaalsContact O-N 3.16Å; L58-T61 PolarHBondContact O-OG1 3.36Å; T59-T61 VanDerWaalsContact C-N 3.3Å; T59-T61 PolarHBondContact O-N 3.35Å; T61-I64 PolarHBondContact O-N 3.09Å; T61-E65 WeakPolarHBondContact O-CB 3.2Å; T61-E65 PolarHBondContact O-N 3.14Å; T61-L310 HydrophobicContact CG2-CD1 3.97Å; T61-S546 WeakPolarHBondContact OG1-CB 3.4Å; T61-S546 PolarHBondContact OG1-OG 3.23Å
62F95.6Very high94.7Very high0 Ų07.4 Ų7.40%04%0.035CC..Hα-helixtrans-65.7-40.9174.7-68.3-11.7000112.7L58 T59 F60 E65 A66 P455 V459 F548 W553 I554L58-F62 HydrophobicContact CD2-CD2 4.03Å; L58-F62 HydrophobicContact CD2-CE1 4.01Å; L58-F62 HydrophobicContact CD2-CE2 3.36Å; L58-F62 HydrophobicContact CD2-CZ 3.36Å; L58-F62 HydrophobicContact CG-CZ 4.35Å; L58-F62 PolarHBondContact O-N 3.09Å; T59-F62 HydrophobicContact CG2-CD2 4.26Å; T59-F62 WeakPolarHBondContact O-CB 3.23Å; T59-F62 PolarHBondContact O-N 3.2Å; T59-F62 VanDerWaalsContact O-N 3.16Å; F60-F62 VanDerWaalsContact C-N 3.25Å; F60-F62 PolarHBondContact O-N 2.86Å; F62-E65 PolarHBondContact O-N 3.49Å; F62-A66 WeakPolarHBondContact O-CB 3.44Å; F62-A66 PolarHBondContact O-N 3.26Å; F62-P455 HydrophobicContact CB-CB 4.25Å; F62-V459 HydrophobicContact CB-CB 3.86Å; F62-V459 HydrophobicContact CB-CG1 3.82Å; F62-V459 HydrophobicContact CB-CG2 4.34Å; F62-V459 HydrophobicContact CD1-CG1 4.01Å; F62-V459 HydrophobicContact CD1-CG2 4.44Å; F62-V459 HydrophobicContact CD2-CG1 3.85Å; F62-V459 HydrophobicContact CE1-CG1 4.5Å; F62-V459 HydrophobicContact CE2-CG1 4.36Å; F62-V459 HydrophobicContact CG-CB 4.21Å; F62-V459 HydrophobicContact CG-CG1 3.65Å; F62-F548 HydrophobicContact CE1-CB 3.9Å; F62-F548 WeakPolarHBondContact CE1-O 3.47Å; F62-F548 HydrophobicContact CZ-CB 4.3Å; F62-W553 HydrophobicContact CZ-CB 4.06Å; F62-I554 HydrophobicContact CE2-CG1 4.16Å; F62-I554 HydrophobicContact CZ-CG1 4.13Å
63V95.6Very high94.3Very high0 Ų07.4 Ų7.40%04%0.035CC..Hα-helixtrans-65.9-41.6175.9-179.50000110.9T59 F60 A66 L67 H293 I296 P455T59-V63 PolarHBondContact O-N 3.09Å; F60-V63 PolarHBondContact O-N 3.46Å; V63-A66 PolarHBondContact O-N 2.64Å; V63-L67 WeakPolarHBondContact O-CB 3.37Å; V63-L67 PolarHBondContact O-N 3.39Å; V63-H293 HydrophobicContact CG2-CB 4.18Å; V63-I296 HydrophobicContact CB-CD1 3.92Å; V63-I296 HydrophobicContact CG1-CB 4.22Å; V63-I296 HydrophobicContact CG1-CD1 4.04Å; V63-I296 HydrophobicContact CG1-CG2 4.33Å; V63-I296 HydrophobicContact CG2-CD1 4.29Å; V63-P455 HydrophobicContact CG2-CB 3.75Å; V63-P455 HydrophobicContact CG2-CG 3.76Å
64I94.2Very high93.8Very high7 Ų710.5 Ų10.54%0.0365%0.048CC..Hα-helixtrans-61.7-44.2177.3-66.2-66.9000111.5F60 T61 L67 S68 I109 I296 V300 F314 H544F60-I64 HydrophobicContact CD1-CG1 3.98Å; F60-I64 HydrophobicContact CE1-CD1 4.03Å; F60-I64 HydrophobicContact CE1-CG1 3.62Å; F60-I64 HydrophobicContact CZ-CD1 4.27Å; F60-I64 HydrophobicContact CZ-CG1 4.3Å; F60-I64 WeakPolarHBondContact O-CG1 3.25Å; F60-I64 PolarHBondContact O-N 3.43Å; T61-I64 PolarHBondContact O-N 3.09Å; I64-L67 PolarHBondContact O-N 3.03Å; I64-S68 PolarHBondContact O-N 3.17Å; I64-I109 HydrophobicContact CG2-CD1 4.4Å; I64-I296 HydrophobicContact CD1-CG2 3.37Å; I64-I296 HydrophobicContact CG1-CG2 4.21Å; I64-V300 HydrophobicContact CD1-CB 4.25Å; I64-V300 HydrophobicContact CD1-CG1 3.98Å; I64-V300 HydrophobicContact CD1-CG2 3.94Å; I64-F314 HydrophobicContact CD1-CE2 3.95Å; I64-F314 HydrophobicContact CD1-CZ 3.77Å; I64-F314 HydrophobicContact CG1-CE2 3.96Å; I64-F314 HydrophobicContact CG1-CZ 4.28Å; I64-F314 HydrophobicContact CG2-CE2 4.23Å; I64-H544 HydrophobicContact CG2-CB 3.92Å
65E93.7Very high93.3Very high0 Ų011.9 Ų11.90%05%0.054CC..Hα-helixtrans-66.3-43.4177-175.8-179156.800111.8T61 F62 L67 S68 I69 V459 R463 L539 S546T61-E65 WeakPolarHBondContact O-CB 3.2Å; T61-E65 PolarHBondContact O-N 3.14Å; F62-E65 PolarHBondContact O-N 3.49Å; E65-L67 VanDerWaalsContact C-N 3.25Å; E65-L67 PolarHBondContact O-N 3.02Å; E65-S68 PolarHBondContact O-N 3.4Å; E65-S68 PolarHBondContact O-OG 3.27Å; E65-I69 HydrophobicContact CG-CD1 3.94Å; E65-I69 HydrophobicContact CG-CG1 4.45Å; E65-I69 WeakPolarHBondContact O-CB 3.45Å; E65-I69 VanDerWaalsContact O-CG1 3.31Å; E65-I69 WeakPolarHBondContact O-CG1 3.2Å; E65-I69 PolarHBondContact O-N 3.03Å; E65-V459 HydrophobicContact CB-CG2 4.18Å; E65-V459 HydrophobicContact CG-CG2 4.16Å; E65-R463 VanDerWaalsContact CD-NH2 3.32Å; E65-R463 IonicContact OE1-CZ 3.15Å; E65-R463 IonicContact OE1-NE 2.8Å; E65-R463 PolarHBondContact OE1-NE 2.86Å; E65-R463 IonicContact OE1-NH2 2.7Å; E65-R463 PolarHBondContact OE1-NH2 3.44Å; E65-R463 VanDerWaalsContact OE1-NH2 3.16Å; E65-R463 IonicContact OE2-CZ 2.63Å; E65-R463 IonicContact OE2-NE 3.95Å; E65-R463 IonicContact OE2-NH2 3.78Å; E65-R463 PolarHBondContact OE2-NH2 3.39Å; E65-L539 WeakPolarHBondContact OE1-CD2 3.39Å; E65-S546 WeakPolarHBondContact OE2-CA 3.42Å; E65-S546 WeakPolarHBondContact OE2-CB 3.31Å; E65-S546 PolarHBondContact OE2-N 3.39Å
66A94.4Very high92.6Very high0 Ų011.4 Ų11.40%05%0.052CC..Hα-helixtrans-60.5-38.7175.500000111.8F62 V63 T70 L458 A462F62-A66 WeakPolarHBondContact O-CB 3.44Å; F62-A66 PolarHBondContact O-N 3.26Å; V63-A66 PolarHBondContact O-N 2.64Å; A66-T70 WeakPolarHBondContact O-CB 3.5Å; A66-T70 PolarHBondContact O-N 3.15Å; A66-T70 PolarHBondContact O-OG1 3.06Å; A66-L458 HydrophobicContact CB-CD2 3.57Å; A66-L458 HydrophobicContact CB-CG 3.7Å; A66-A462 HydrophobicContact CB-CB 4.17Å
67L93.8Very high91.6Very high0 Ų016.4 Ų16.40%07%0.074CC..Hα-helixtrans-66.9-39.4176.7-179.160.2000112.4V63 I64 E65 T70 N71 I109 M118 P297V63-L67 WeakPolarHBondContact O-CB 3.37Å; V63-L67 PolarHBondContact O-N 3.39Å; I64-L67 PolarHBondContact O-N 3.03Å; E65-L67 VanDerWaalsContact C-N 3.25Å; E65-L67 PolarHBondContact O-N 3.02Å; L67-T70 PolarHBondContact O-N 3.41Å; L67-N71 PolarHBondContact O-N 3.16Å; L67-N71 VanDerWaalsContact O-N 3.11Å; L67-N71 PolarHBondContact O-ND2 3.39Å; L67-I109 HydrophobicContact CD2-CD1 4.05Å; L67-I109 HydrophobicContact CD2-CG1 4.42Å; L67-I109 HydrophobicContact CD2-CG2 3.81Å; L67-I109 HydrophobicContact CG-CD1 4.21Å; L67-I109 HydrophobicContact CG-CG1 4.19Å; L67-I109 HydrophobicContact CG-CG2 3.99Å; L67-M118 HydrophobicContact CB-SD 4.08Å; L67-M118 HydrophobicContact CD1-SD 3.96Å; L67-P297 HydrophobicContact CD1-CB 4.44Å; L67-P297 HydrophobicContact CD2-CB 3.99Å; L67-P297 HydrophobicContact CD2-CG 4.29Å
68S92.4Very high90.6Very high0 Ų015.5 Ų15.50%07%0.071CC..Hα-helixtrans-69.1-41.7176.871.40000112I64 E65 T70 N71 A72 F107I64-S68 PolarHBondContact O-N 3.17Å; E65-S68 PolarHBondContact O-N 3.4Å; E65-S68 PolarHBondContact O-OG 3.27Å; S68-T70 VanDerWaalsContact C-N 3.32Å; S68-T70 PolarHBondContact O-N 2.95Å; S68-N71 PolarHBondContact O-N 3.11Å; S68-A72 PolarHBondContact O-N 2.87Å; S68-F107 WeakPolarHBondContact CB-O 3.44Å
69I92.4Very high89.2Confident0 Ų016.7 Ų16.70%08%0.077CC..Hα-helixtrans-60.4-43.2173.1-69.1169.5000110.4E65 N71 A72 L73 F107 A462 R463 F466E65-I69 HydrophobicContact CG-CD1 3.94Å; E65-I69 HydrophobicContact CG-CG1 4.45Å; E65-I69 WeakPolarHBondContact O-CB 3.45Å; E65-I69 VanDerWaalsContact O-CG1 3.31Å; E65-I69 WeakPolarHBondContact O-CG1 3.2Å; E65-I69 PolarHBondContact O-N 3.03Å; I69-N71 VanDerWaalsContact C-N 3.32Å; I69-N71 PolarHBondContact O-N 3.12Å; I69-A72 PolarHBondContact O-N 2.82Å; I69-L73 HydrophobicContact CG2-CD1 3.73Å; I69-L73 HydrophobicContact CG2-CG 4.19Å; I69-L73 WeakPolarHBondContact O-CB 3.15Å; I69-L73 VanDerWaalsContact O-CG 3.27Å; I69-L73 WeakPolarHBondContact O-CG 3.2Å; I69-L73 PolarHBondContact O-N 3.25Å; I69-F107 HydrophobicContact CG1-CE1 4.25Å; I69-A462 HydrophobicContact CB-CB 4.41Å; I69-A462 HydrophobicContact CD1-CB 4.11Å; I69-A462 HydrophobicContact CG2-CB 4.16Å; I69-R463 HydrophobicContact CD1-CG 4.1Å; I69-F466 HydrophobicContact CG2-CB 3.82Å; I69-F466 HydrophobicContact CG2-CD2 4.23Å; I69-F466 HydrophobicContact CG2-CG 4.32Å
70T92.6Very high87.5Confident0 Ų023.5 Ų23.50%010%0.102CC..Hα-helixtrans-60.3-42.5178.1-55.30000111.4A66 L67 S68 L73 H74 Y113 M118 L121 Y122A66-T70 WeakPolarHBondContact O-CB 3.5Å; A66-T70 PolarHBondContact O-N 3.15Å; A66-T70 PolarHBondContact O-OG1 3.06Å; L67-T70 PolarHBondContact O-N 3.41Å; S68-T70 VanDerWaalsContact C-N 3.32Å; S68-T70 PolarHBondContact O-N 2.95Å; T70-L73 PolarHBondContact O-N 3Å; T70-H74 WeakPolarHBondContact O-CB 3.31Å; T70-H74 PolarHBondContact O-N 3.15Å; T70-Y113 HydrophobicContact CG2-CD1 3.81Å; T70-Y113 HydrophobicContact CG2-CD2 3.73Å; T70-Y113 HydrophobicContact CG2-CE1 4.06Å; T70-Y113 HydrophobicContact CG2-CE2 3.99Å; T70-Y113 HydrophobicContact CG2-CG 3.64Å; T70-M118 HydrophobicContact CG2-CG 4.33Å; T70-L121 HydrophobicContact CG2-CD2 4.09Å; T70-Y122 PolarHBondContact OG1-OH 3.13Å
71N91.3Very high85.4Confident5 Ų526.1 Ų26.13%0.02712%0.115CC..Hα-helixtrans-62.1-45.9175.9-86.9-96.1000111.8L67 S68 I69 L73 H74 K75 T110 E111L67-N71 PolarHBondContact O-N 3.16Å; L67-N71 VanDerWaalsContact O-N 3.11Å; L67-N71 PolarHBondContact O-ND2 3.39Å; S68-N71 PolarHBondContact O-N 3.11Å; I69-N71 VanDerWaalsContact C-N 3.32Å; I69-N71 PolarHBondContact O-N 3.12Å; N71-L73 PolarHBondContact O-N 3.47Å; N71-H74 PolarHBondContact O-N 3.44Å; N71-K75 PolarHBondContact O-N 3.29Å; N71-T110 PolarHBondContact OD1-N 3.41Å; N71-T110 PolarHBondContact OD1-OG1 3.23Å; N71-E111 PolarHBondContact ND2-O 3.08Å; N71-E111 WeakPolarHBondContact OD1-CB 3.33Å; N71-E111 PolarHBondContact OD1-N 3.47Å
72A89.1Confident83.1Confident0 Ų029 Ų290%014%0.135CC..Hα-helixtrans-62.6-42.3178.100000112.3S68 I69 H74 K75 S76 I102 D106 F107S68-A72 PolarHBondContact O-N 2.87Å; I69-A72 PolarHBondContact O-N 2.82Å; A72-H74 VanDerWaalsContact C-N 3.33Å; A72-H74 PolarHBondContact O-N 3.05Å; A72-K75 PolarHBondContact O-N 2.85Å; A72-S76 WeakPolarHBondContact O-CB 3.4Å; A72-S76 PolarHBondContact O-N 3.02Å; A72-S76 PolarHBondContact O-OG 2.96Å; A72-I102 HydrophobicContact CB-CG2 4.4Å; A72-D106 WeakPolarHBondContact CA-O 3.13Å; A72-D106 HydrophobicContact CB-CB 4.09Å; A72-D106 PolarHBondContact N-O 3.43Å; A72-F107 HydrophobicContact CB-CD1 3.78Å; A72-F107 HydrophobicContact CB-CD2 4.38Å; A72-F107 HydrophobicContact CB-CE1 3.89Å; A72-F107 HydrophobicContact CB-CE2 4.48Å; A72-F107 HydrophobicContact CB-CG 4.06Å; A72-F107 HydrophobicContact CB-CZ 4.26Å
73L88.6Confident80.7Confident0 Ų037.1 Ų37.10%017%0.173CC..Hα-helixtrans-64.9-37.5177-70.9171.2000112.4I69 T70 N71 S76 K77 C78 L79 Y122 Y465 F466 C469I69-L73 HydrophobicContact CG2-CD1 3.73Å; I69-L73 HydrophobicContact CG2-CG 4.19Å; I69-L73 WeakPolarHBondContact O-CB 3.15Å; I69-L73 VanDerWaalsContact O-CG 3.27Å; I69-L73 WeakPolarHBondContact O-CG 3.2Å; I69-L73 PolarHBondContact O-N 3.25Å; T70-L73 PolarHBondContact O-N 3Å; N71-L73 PolarHBondContact O-N 3.47Å; L73-S76 WeakPolarHBondContact CA-OG 3.28Å; L73-S76 PolarHBondContact O-OG 2.99Å; L73-K77 PolarHBondContact O-N 3Å; L73-C78 HydrophobicContact CD2-CB 4.04Å; L73-C78 PolarHBondContact O-N 3.42Å; L73-C78 VanDerWaalsContact O-N 3.16Å; L73-L79 HydrophobicContact CB-CD1 4.26Å; L73-L79 HydrophobicContact CB-CD2 3.78Å; L73-L79 HydrophobicContact CB-CG 3.84Å; L73-L79 HydrophobicContact CD1-CD2 4.33Å; L73-Y122 HydrophobicContact CD1-CE1 4.24Å; L73-Y465 HydrophobicContact CD1-CD1 3.54Å; L73-Y465 HydrophobicContact CD1-CE1 4.06Å; L73-Y465 HydrophobicContact CD2-CD1 4.13Å; L73-Y465 HydrophobicContact CD2-CE1 4.32Å; L73-Y465 HydrophobicContact CG-CD1 4.47Å; L73-F466 HydrophobicContact CD2-CD2 4Å; L73-F466 HydrophobicContact CG-CD2 4.31Å; L73-C469 HydrophobicContact CD2-CB 3.87Å
74H86.9Confident78.2Confident72 Ų7242.8 Ų42.833%0.33320%0.2SC..Hα-helixtrans-65.6-49.5176.1-175.570.5000111.6T70 N71 A72 S76 K77 L79 Y113T70-H74 WeakPolarHBondContact O-CB 3.31Å; T70-H74 PolarHBondContact O-N 3.15Å; N71-H74 PolarHBondContact O-N 3.44Å; A72-H74 VanDerWaalsContact C-N 3.33Å; A72-H74 PolarHBondContact O-N 3.05Å; H74-S76 VanDerWaalsContact C-N 3.32Å; H74-S76 PolarHBondContact O-N 2.8Å; H74-K77 PolarHBondContact O-N 2.91Å; H74-K77 VanDerWaalsContact O-N 3.11Å; H74-L79 HydrophobicContact CB-CD1 3.82Å; H74-Y113 HydrophobicContact CB-CE2 4.5Å; H74-Y113 WeakPolarHBondContact CB-OH 3.48Å; H74-Y113 PolarHBondContact CE1-OH 3.39Å; H74-Y113 PolarHBondContact ND1-OH 3.16Å
75K85.8Confident75.6Confident120 Ų12051 Ų5152%0.52224%0.238SC..Hα-helixtrans-65.2-36.4-179.1-170.7172172.1-156.10112.4N71 A72 K77 D106N71-K75 PolarHBondContact O-N 3.29Å; A72-K75 PolarHBondContact O-N 2.85Å; K75-K77 PolarHBondContact O-N 3.45Å; K75-D106 HydrophobicContact CD-CB 4.22Å; K75-D106 WeakPolarHBondContact CD-OD1 3.42Å; K75-D106 WeakPolarHBondContact CE-OD1 3.42Å; K75-D106 IonicContact NZ-OD1 3.66Å; K75-D106 PolarHBondContact NZ-OD1 3.38Å
76S81.3Confident73Confident5 Ų559.6 Ų59.64%0.03528%0.278CS..THydrogen-bonded Turntrans-76.84.1176.367.70000114.2A72 L73 H74 C78 K473A72-S76 WeakPolarHBondContact O-CB 3.4Å; A72-S76 PolarHBondContact O-N 3.02Å; A72-S76 PolarHBondContact O-OG 2.96Å; L73-S76 WeakPolarHBondContact CA-OG 3.28Å; L73-S76 PolarHBondContact O-OG 2.99Å; H74-S76 VanDerWaalsContact C-N 3.32Å; H74-S76 PolarHBondContact O-N 2.8Å; S76-C78 PolarHBondContact O-N 2.8Å; S76-K473 PolarHBondContact O-NZ 3.45Å
77K75.7Confident70.4Confident105 Ų10566.3 Ų66.346%0.45731%0.314SS..THydrogen-bonded Turntrans58.38.4-177.3-63-178.4-178.9175.10115.8L73 H74 K75 L79 R80 E81L73-K77 PolarHBondContact O-N 3Å; H74-K77 PolarHBondContact O-N 2.91Å; H74-K77 VanDerWaalsContact O-N 3.11Å; K75-K77 PolarHBondContact O-N 3.45Å; K77-L79 PolarHBondContact O-N 3.26Å; K77-L79 VanDerWaalsContact O-N 3.16Å; K77-R80 PolarHBondContact O-N 2.9Å; K77-E81 PolarHBondContact O-N 3.36Å
78C75.2Confident67.7Low7 Ų772.8 Ų72.85%0.04735%0.349CS..THydrogen-bonded Turntrans-64.1-24.4-179.9-158.60000113.4L73 S76 R80 S82 C469L73-C78 HydrophobicContact CD2-CB 4.04Å; L73-C78 PolarHBondContact O-N 3.42Å; L73-C78 VanDerWaalsContact O-N 3.16Å; S76-C78 PolarHBondContact O-N 2.8Å; C78-R80 VanDerWaalsContact C-N 3.31Å; C78-S82 PolarHBondContact O-OG 3.49Å; C78-C469 HydrophobicContact CB-CB 4.2Å; C78-C469 WeakPolarHBondContact CB-SG 3.19Å; C78-C469 WeakPolarHBondContact SG-CB 3.36Å; C78-C469 CovalentContact SG-SG 2Å; C78-C469 PolarHBondContact SG-SG 2.94Å
79L67Low65.1Low24 Ų2482.2 Ų82.213%0.12639%0.39CS..THydrogen-bonded Turntrans-72.1-22.3173.8-58.9-175.6000113.5L73 H74 K77 L121 Y465L73-L79 HydrophobicContact CB-CD1 4.26Å; L73-L79 HydrophobicContact CB-CD2 3.78Å; L73-L79 HydrophobicContact CB-CG 3.84Å; L73-L79 HydrophobicContact CD1-CD2 4.33Å; H74-L79 HydrophobicContact CB-CD1 3.82Å; K77-L79 PolarHBondContact O-N 3.26Å; K77-L79 VanDerWaalsContact O-N 3.16Å; L79-L121 HydrophobicContact CD1-CD2 4.09Å; L79-L121 HydrophobicContact CD2-CD1 3.56Å; L79-L121 HydrophobicContact CD2-CD2 3.6Å; L79-L121 HydrophobicContact CD2-CG 4.17Å; L79-Y465 HydrophobicContact CD2-CE1 4.05Å
80R59.5Low62.7Low143 Ų14386.3 Ų86.354%0.5442%0.418SS..THydrogen-bonded Turntrans-86.4-33.8-178.5-72-175.9160.8-178.4-4.7112.7K77 C78 S82 E83 E84K77-R80 PolarHBondContact O-N 2.9Å; C78-R80 VanDerWaalsContact C-N 3.31Å; R80-S82 PolarHBondContact O-N 3.44Å; R80-S82 VanDerWaalsContact O-N 3.15Å; R80-E83 PolarHBondContact O-N 3Å; R80-E83 VanDerWaalsContact O-N 3.12Å; R80-E84 PolarHBondContact O-N 3.47Å
81E53.1Low60.5Low56 Ų5693.9 Ų93.926%0.26246%0.458SS..THydrogen-bonded Turntrans-63.9-20-179.6-66.7178.5171.300113.2K77K77-E81 PolarHBondContact O-N 3.36Å
82S47.7Very low57.9Low66 Ų66101.2 Ų101.246%0.46250%0.496SS..THydrogen-bonded Turntrans-79.4-23.5177.1-30.70000113.8C78 R80 Y465C78-S82 PolarHBondContact O-OG 3.49Å; R80-S82 PolarHBondContact O-N 3.44Å; R80-S82 VanDerWaalsContact O-N 3.15Å; S82-Y465 PolarHBondContact OG-OH 3.43Å
83E43.5Very low55.5Low169 Ų169104 Ų10479%0.7953%0.525SS*.THydrogen-bonded Turntrans-98.1-29.3-178.8-66.5-176.3160.100111.8R80 Q85R80-E83 PolarHBondContact O-N 3Å; R80-E83 VanDerWaalsContact O-N 3.12Å; E83-Q85 VanDerWaalsContact C-N 3.3Å; E83-Q85 PolarHBondContact O-N 3.47Å
84E43.5Very low53.3Low120 Ų120110.8 Ų110.856%0.56155%0.55SS**G310 helixtrans-86.715.1-175.8-70.7178.9179.700114.6R80 E86R80-E84 PolarHBondContact O-N 3.47Å; E84-E86 PolarHBondContact O-N 2.82Å
85Q40.3Very low51.1Low178 Ų178111.9 Ų111.983%0.83256%0.556SS**G310 helixtrans-79.42.3175.7-127.21732.500114.2E83E83-Q85 VanDerWaalsContact C-N 3.3Å; E83-Q85 PolarHBondContact O-N 3.47Å
86E39.5Very low49Very low182 Ų182111.8 Ų111.885%0.8557%0.571SS**G310 helixtrans-112.7-4.1177.7-90-174.1161.700116.9E84E84-E86 PolarHBondContact O-N 2.82Å
87D38.6Very low47.3Very low140 Ų140114.5 Ų114.575%0.74959%0.59SS**SBendtrans-132.7109.8-179.8-87.9-41.6000114.9
88N38.6Very low46Very low137 Ų137111.2 Ų111.273%0.73358%0.578SS**  trans38.5117.6150.2-79.9-43000122.4
89K35.9Very low44.8Very low197 Ų197115 Ų11586%0.85760%0.602SS**  trans40100.8132.2-66.9179.7179.1176.50119.2
90S42.6Very low44.4Very low86 Ų86117.8 Ų117.860%0.60162%0.62SS**  -167.8117.5119.457.50000109.8
91L45.8Very low44.9Very low160 Ų160120.7 Ų120.784%0.83863%0.631SS**SBendtrans-75.6-30.2-174.5-130.587.2000112.4
92I38.7Very low45.9Very low159 Ų159118.9 Ų118.982%0.81562%0.622SS**THydrogen-bonded Turntrans-84.9-28.8-165-60.3173.6000112.7
93G38.4Very low47.4Very low59 Ų59120 Ų12061%0.60862%0.623SS**THydrogen-bonded Turntrans-79-15175.800000114.7
94R42.5Very low49.1Very low142 Ų142115.2 Ų115.254%0.53661%0.607SS.*THydrogen-bonded Turntrans-82.3-25.8-178.2-74.5176.184.3162.44113.1S96 S97 V98R94-S96 PolarHBondContact O-N 3.38Å; R94-S97 PolarHBondContact O-N 2.99Å; R94-V98 VanDerWaalsContact O-CG2 3.28Å; R94-V98 WeakPolarHBondContact O-CG2 3.02Å
95M40.1Very low50.9Low94 Ų94112.8 Ų112.846%0.46360%0.603SS.*THydrogen-bonded Turntrans-64-34.9-172.2-148.776150.600113.6T480M95-T480 HydrophobicContact CE-CG2 3.5Å; M95-T480 HydrophobicContact SD-CG2 4.09Å
96S41.8Very low53Low119 Ų119105 Ų10583%0.83257%0.567SS**THydrogen-bonded Turntrans-88.9-6-176-57.80000115.4R94R94-S96 PolarHBondContact O-N 3.38Å
97S45.2Very low55.2Low62 Ų6296.4 Ų96.443%0.43453%0.527SS..THydrogen-bonded Turntrans-111.1-2.3-177.373.90000115.3R94R94-S97 PolarHBondContact O-N 2.99Å
98V47.6Very low57.4Low35 Ų3593.5 Ų93.521%0.21251%0.509CS..SBendtrans-87-13.4-174.5171.20000113.2R94 N476R94-V98 VanDerWaalsContact O-CG2 3.28Å; R94-V98 WeakPolarHBondContact O-CG2 3.02Å; V98-N476 HydrophobicContact CG1-CB 4.44Å
99T50.9Low59.8Low87 Ų8787 Ų8753%0.53447%0.474SS..  trans-104.433.1-167-330000115.2R101 L477T99-R101 PolarHBondContact O-N 3.34Å; T99-L477 HydrophobicContact CG2-CD1 3.72Å
100T58.2Low62.1Low83 Ų8381.3 Ų81.351%0.50946%0.456SS..  trans-82.7106.8163.653.10000109
101R69.9Low64.2Low204 Ų20479.5 Ų79.577%0.7744%0.438SS*.  trans-52.7138.6160.5-71.5-177.6-179.6175.61.2107.6T99 D103T99-R101 PolarHBondContact O-N 3.34Å; R101-D103 PolarHBondContact O-N 3.16Å
102I74.4Confident66.1Low17 Ų1775.6 Ų75.69%0.08741%0.414CS..  trans-72.6115.2178.5-59.3-179.3000107.3A72 D106 F107 F466 V470A72-I102 HydrophobicContact CB-CG2 4.4Å; I102-D106 HydrophobicContact CG2-CB 4.12Å; I102-F107 HydrophobicContact CG2-CE2 3.98Å; I102-F107 HydrophobicContact CG2-CZ 4.35Å; I102-F466 HydrophobicContact CD1-CD2 4.46Å; I102-F466 HydrophobicContact CD1-CE2 3.57Å; I102-F466 HydrophobicContact CD1-CZ 4Å; I102-F466 HydrophobicContact CG2-CE2 4.21Å; I102-F466 HydrophobicContact CG2-CZ 4.38Å; I102-V470 HydrophobicContact CD1-CG2 3.94Å
103D79.7Confident68.5Low90 Ų9069.6 Ų69.648%0.48138%0.382SS..  trans-86.2153.2-179.2-74.6-33.2000110.5R101 S105 D106R101-D103 PolarHBondContact O-N 3.16Å; D103-S105 PolarHBondContact O-N 3.43Å; D103-D106 PolarHBondContact N-OD2 2.9Å; D103-D106 VanDerWaalsContact O-CB 3.28Å; D103-D106 WeakPolarHBondContact O-CB 3.43Å; D103-D106 PolarHBondContact O-N 3.32Å
104P78.1Confident70.8Confident69 Ų6970.8 Ų70.845%0.44837%0.372SS..G310 helixtrans-55.9-26.8175.3-25.535.1000113.5D106 F107 I541P104-D106 VanDerWaalsContact C-N 3.26Å; P104-D106 PolarHBondContact O-N 3.2Å; P104-F107 PolarHBondContact O-N 3.05Å; P104-I541 HydrophobicContact CB-CG2 3.75Å; P104-I541 HydrophobicContact CG-CG2 3.54Å
105S81.8Confident73Confident69 Ų6964.2 Ų64.248%0.48335%0.347SS..G310 helixtrans-70.3-19.6176.668.50000113.4D103 F107 E108D103-S105 PolarHBondContact O-N 3.43Å; S105-F107 PolarHBondContact O-N 3.01Å; S105-E108 WeakPolarHBondContact O-CB 3.37Å; S105-E108 PolarHBondContact O-N 3.44Å
106D84.2Confident75.1Confident13 Ų1360 Ų607%0.0733%0.328CS..G310 helixtrans-71.4-19.9178.6-63.4-22.5000112.5A72 K75 I102 D103 P104 E108A72-D106 WeakPolarHBondContact CA-O 3.13Å; A72-D106 HydrophobicContact CB-CB 4.09Å; A72-D106 PolarHBondContact N-O 3.43Å; K75-D106 HydrophobicContact CD-CB 4.22Å; K75-D106 WeakPolarHBondContact CD-OD1 3.42Å; K75-D106 WeakPolarHBondContact CE-OD1 3.42Å; K75-D106 IonicContact NZ-OD1 3.66Å; K75-D106 PolarHBondContact NZ-OD1 3.38Å; I102-D106 HydrophobicContact CG2-CB 4.12Å; D103-D106 PolarHBondContact N-OD2 2.9Å; D103-D106 VanDerWaalsContact O-CB 3.28Å; D103-D106 WeakPolarHBondContact O-CB 3.43Å; D103-D106 PolarHBondContact O-N 3.32Å; P104-D106 VanDerWaalsContact C-N 3.26Å; P104-D106 PolarHBondContact O-N 3.2Å; D106-E108 VanDerWaalsContact C-N 3.25Å; D106-E108 PolarHBondContact O-N 2.7Å
107F85.5Confident77.3Confident2 Ų258.1 Ų58.11%0.00931%0.305CS..G310 helixtrans-80.7-2.9175.4-65.9-87.5000113.4S68 I69 A72 I102 P104 S105 I109 F466 H544S68-F107 WeakPolarHBondContact CB-O 3.44Å; I69-F107 HydrophobicContact CG1-CE1 4.25Å; A72-F107 HydrophobicContact CB-CD1 3.78Å; A72-F107 HydrophobicContact CB-CD2 4.38Å; A72-F107 HydrophobicContact CB-CE1 3.89Å; A72-F107 HydrophobicContact CB-CE2 4.48Å; A72-F107 HydrophobicContact CB-CG 4.06Å; A72-F107 HydrophobicContact CB-CZ 4.26Å; I102-F107 HydrophobicContact CG2-CE2 3.98Å; I102-F107 HydrophobicContact CG2-CZ 4.35Å; P104-F107 PolarHBondContact O-N 3.05Å; S105-F107 PolarHBondContact O-N 3.01Å; F107-I109 PolarHBondContact O-N 3.23Å; F107-F466 HydrophobicContact CE1-CE2 4.02Å; F107-F466 HydrophobicContact CE1-CZ 4.24Å; F107-F466 HydrophobicContact CE2-CZ 4.43Å; F107-F466 HydrophobicContact CZ-CE1 4.28Å; F107-F466 AromaticContact CZ-CE2 3.63Å; F107-F466 HydrophobicContact CZ-CE2 3.63Å; F107-F466 AromaticContact CZ-CZ 3.51Å; F107-F466 HydrophobicContact CZ-CZ 3.51Å; F107-H544 PolarHBondContact O-CD2 3.45Å
108E86Confident79.4Confident79 Ų7955.1 Ų55.137%0.36929%0.285SS..SBendtrans-63.4129.6172.7-174.4167.2-167.300110.2S105 D106 T110 M543S105-E108 WeakPolarHBondContact O-CB 3.37Å; S105-E108 PolarHBondContact O-N 3.44Å; D106-E108 VanDerWaalsContact C-N 3.25Å; D106-E108 PolarHBondContact O-N 2.7Å; E108-T110 HydrophobicContact CG-CG2 4.19Å; E108-T110 PolarHBondContact O-N 2.96Å; E108-M543 HydrophobicContact CB-CE 3.76Å; E108-M543 HydrophobicContact CG-CE 3.83Å
109I87.4Confident81.3Confident0 Ų053.5 Ų53.50%028%0.275CS..  trans-75.795.4178.4-59.9162.8000108.2I64 L67 F107 V300 T301 K306I64-I109 HydrophobicContact CG2-CD1 4.4Å; L67-I109 HydrophobicContact CD2-CD1 4.05Å; L67-I109 HydrophobicContact CD2-CG1 4.42Å; L67-I109 HydrophobicContact CD2-CG2 3.81Å; L67-I109 HydrophobicContact CG-CD1 4.21Å; L67-I109 HydrophobicContact CG-CG1 4.19Å; L67-I109 HydrophobicContact CG-CG2 3.99Å; F107-I109 PolarHBondContact O-N 3.23Å; I109-V300 HydrophobicContact CD1-CG1 4.29Å; I109-T301 HydrophobicContact CG2-CG2 4.19Å; I109-T301 WeakPolarHBondContact CG2-OG1 3.28Å; I109-K306 HydrophobicContact CB-CD 4.19Å; I109-K306 WeakPolarHBondContact O-CE 3.43Å; I109-K306 PolarHBondContact O-NZ 3.1Å
110T86Confident83.1Confident78 Ų7853.1 Ų53.148%0.47927%0.269SS..  trans-102-39.6175.955.40000111.5N71 E108 T301N71-T110 PolarHBondContact OD1-N 3.41Å; N71-T110 PolarHBondContact OD1-OG1 3.23Å; E108-T110 HydrophobicContact CG-CG2 4.19Å; E108-T110 PolarHBondContact O-N 2.96Å; T110-T301 WeakPolarHBondContact O-CG2 3.5Å
111E86.1Confident84.6Confident49 Ų4951.8 Ų51.823%0.22926%0.258CS..SBendtrans-99.2140.1-178.2-66-57.7147.400112P5 N71 Y113P5-E111 WeakPolarHBondContact CB-OE2 3.48Å; P5-E111 WeakPolarHBondContact CG-OE2 3.45Å; N71-E111 PolarHBondContact ND2-O 3.08Å; N71-E111 WeakPolarHBondContact OD1-CB 3.33Å; N71-E111 PolarHBondContact OD1-N 3.47Å; E111-Y113 HydrophobicContact CB-CD2 4.21Å; E111-Y113 HydrophobicContact CB-CE2 3.76Å; E111-Y113 PolarHBondContact O-N 2.74Å
112K86.3Confident85.7Confident77 Ų7742.8 Ų42.834%0.33523%0.225SC..  trans-84.5110176-176.7-167.9166.3-159.20108.8E114 T301K112-E114 WeakPolarHBondContact CE-OE1 3.49Å; K112-E114 IonicContact NZ-OE1 2.69Å; K112-E114 PolarHBondContact NZ-OE1 2.91Å; K112-T301 HydrophobicContact CB-CG2 4.04Å
113Y87.5Confident86.5Confident33 Ų3343.7 Ų43.713%0.12923%0.228CC..  trans-104.4119.9165-73.4-88.8000109.8T70 H74 E111 Q117 P297T70-Y113 HydrophobicContact CG2-CD1 3.81Å; T70-Y113 HydrophobicContact CG2-CD2 3.73Å; T70-Y113 HydrophobicContact CG2-CE1 4.06Å; T70-Y113 HydrophobicContact CG2-CE2 3.99Å; T70-Y113 HydrophobicContact CG2-CG 3.64Å; H74-Y113 HydrophobicContact CB-CE2 4.5Å; H74-Y113 WeakPolarHBondContact CB-OH 3.48Å; H74-Y113 PolarHBondContact CE1-OH 3.39Å; H74-Y113 PolarHBondContact ND1-OH 3.16Å; E111-Y113 HydrophobicContact CB-CD2 4.21Å; E111-Y113 HydrophobicContact CB-CE2 3.76Å; E111-Y113 PolarHBondContact O-N 2.74Å; Y113-Q117 HydrophobicContact CD1-CB 4.43Å; Y113-P297 WeakPolarHBondContact O-CB 3.1Å; Y113-P297 VanDerWaalsContact O-CG 3.3Å; Y113-P297 WeakPolarHBondContact O-CG 3.46Å
114E87.9Confident86.9Confident85 Ų8541 Ų4140%0.39722%0.221SC..  trans-70.7155.3173.8-66.3-170.4165.900110.9K112 G116 Q117 M118K112-E114 WeakPolarHBondContact CE-OE1 3.49Å; K112-E114 IonicContact NZ-OE1 2.69Å; K112-E114 PolarHBondContact NZ-OE1 2.91Å; E114-G116 PolarHBondContact O-N 3.33Å; E114-Q117 HydrophobicContact CB-CG 4.36Å; E114-Q117 WeakPolarHBondContact O-CB 3.42Å; E114-Q117 PolarHBondContact O-N 3.31Å; E114-M118 PolarHBondContact O-N 3.43Å
115L87.7Confident87.4Confident4 Ų445 Ų452%0.02123%0.232CC..Hα-helixtrans-57.6-36.4-178-170.958.4000112.1M118 S119 M131 H294 I454 L458L115-M118 HydrophobicContact CB-CE 4.48Å; L115-M118 HydrophobicContact CD1-CE 3.89Å; L115-S119 WeakPolarHBondContact O-CB 3.25Å; L115-S119 PolarHBondContact O-N 3.27Å; L115-M131 HydrophobicContact CD2-CE 3.22Å; L115-M131 HydrophobicContact CG-CE 3.73Å; L115-H294 HydrophobicContact CD2-CB 4.13Å; L115-I454 HydrophobicContact CD1-CG2 4.38Å; L115-I454 HydrophobicContact CD2-CG2 4.43Å; L115-L458 HydrophobicContact CD1-CD2 3.56Å
116G85.3Confident87.7Confident5 Ų548.7 Ų48.75%0.05224%0.243CC..Hα-helixtrans-66.5-31.3173.700000114.4E114 L120 N128E114-G116 PolarHBondContact O-N 3.33Å; G116-L120 PolarHBondContact O-N 3.29Å; G116-N128 PolarHBondContact O-OD1 3.09Å
117Q86.7Confident88Confident79 Ų7949 Ų4937%0.36925%0.25SC..Hα-helixtrans-74.7-44.9176.6-66.5174.1-35.400111.2Y113 E114 S119 L120 L121Y113-Q117 HydrophobicContact CD1-CB 4.43Å; E114-Q117 HydrophobicContact CB-CG 4.36Å; E114-Q117 WeakPolarHBondContact O-CB 3.42Å; E114-Q117 PolarHBondContact O-N 3.31Å; Q117-S119 PolarHBondContact O-N 3.44Å; Q117-L120 PolarHBondContact O-N 3.27Å; Q117-L121 PolarHBondContact O-N 3.13Å; Q117-L121 VanDerWaalsContact O-N 3.12Å
118M89.7Confident88.3Confident0 Ų049 Ų490%025%0.25CC..Hα-helixtrans-61.4-38.1173.2-62.4-173-73.700110.8L67 T70 E114 L115 L121 Y122 P297 L458L67-M118 HydrophobicContact CB-SD 4.08Å; L67-M118 HydrophobicContact CD1-SD 3.96Å; T70-M118 HydrophobicContact CG2-CG 4.33Å; E114-M118 PolarHBondContact O-N 3.43Å; L115-M118 HydrophobicContact CB-CE 4.48Å; L115-M118 HydrophobicContact CD1-CE 3.89Å; M118-L121 WeakPolarHBondContact O-CB 3.37Å; M118-L121 PolarHBondContact O-N 3.11Å; M118-Y122 HydrophobicContact CB-CD2 4.34Å; M118-Y122 HydrophobicContact CB-CE2 4.3Å; M118-Y122 WeakPolarHBondContact O-CD2 3.21Å; M118-Y122 PolarHBondContact O-N 2.98Å; M118-P297 HydrophobicContact CE-CG 4.07Å; M118-L458 HydrophobicContact CB-CD1 4.05Å; M118-L458 HydrophobicContact CE-CD2 4.22Å
119S87.9Confident88.6Confident0 Ų046.3 Ų46.30%024%0.238CC..Hα-helixtrans-62.7-43.9176167.20000112.4L115 Q117 L121 Y122 F123 N128 M131L115-S119 WeakPolarHBondContact O-CB 3.25Å; L115-S119 PolarHBondContact O-N 3.27Å; Q117-S119 PolarHBondContact O-N 3.44Å; S119-L121 VanDerWaalsContact C-N 3.29Å; S119-L121 PolarHBondContact O-N 3.12Å; S119-Y122 PolarHBondContact O-N 2.94Å; S119-F123 WeakPolarHBondContact O-CA 3.39Å; S119-F123 VanDerWaalsContact O-CB 3.31Å; S119-F123 WeakPolarHBondContact O-CB 3.37Å; S119-F123 PolarHBondContact O-N 3.09Å; S119-N128 VanDerWaalsContact CB-OD1 3.25Å; S119-N128 WeakPolarHBondContact CB-OD1 3.46Å; S119-N128 WeakPolarHBondContact OG-CA 3.32Å; S119-N128 PolarHBondContact OG-OD1 3.45Å; S119-M131 WeakPolarHBondContact OG-CB 3.36Å
120L89.2Confident88.9Confident80 Ų8052 Ų5242%0.41927%0.268SS..Hα-helixtrans-57.6-44.5173.4-176.358.5000111.7G116 Q117 G124 N128 F400G116-L120 PolarHBondContact O-N 3.29Å; Q117-L120 PolarHBondContact O-N 3.27Å; L120-G124 WeakPolarHBondContact O-CA 3.17Å; L120-G124 PolarHBondContact O-N 3.21Å; L120-N128 HydrophobicContact CB-CB 4.46Å; L120-N128 WeakPolarHBondContact CB-ND2 3.13Å; L120-N128 HydrophobicContact CD1-CB 4.29Å; L120-N128 PolarHBondContact N-OD1 2.93Å; L120-F400 HydrophobicContact CD1-CE1 4.11Å; L120-F400 HydrophobicContact CD1-CZ 4.34Å
121L89.6Confident89.1Confident54 Ų5448.5 Ų48.528%0.28325%0.247SC..Hα-helixtrans-62.6-45.9-179174.660.7000112.4T70 L79 Q117 M118 S119T70-L121 HydrophobicContact CG2-CD2 4.09Å; L79-L121 HydrophobicContact CD1-CD2 4.09Å; L79-L121 HydrophobicContact CD2-CD1 3.56Å; L79-L121 HydrophobicContact CD2-CD2 3.6Å; L79-L121 HydrophobicContact CD2-CG 4.17Å; Q117-L121 PolarHBondContact O-N 3.13Å; Q117-L121 VanDerWaalsContact O-N 3.12Å; M118-L121 WeakPolarHBondContact O-CB 3.37Å; M118-L121 PolarHBondContact O-N 3.11Å; S119-L121 VanDerWaalsContact C-N 3.29Å; S119-L121 PolarHBondContact O-N 3.12Å
122Y92.4Very high89.4Confident15 Ų1547.1 Ų47.16%0.05924%0.239CC..Hα-helixtrans-95.5-30.5-172-62.5-53.2000114.5T70 L73 M118 S119 L458 K461 A462 Y465T70-Y122 PolarHBondContact OG1-OH 3.13Å; L73-Y122 HydrophobicContact CD1-CE1 4.24Å; M118-Y122 HydrophobicContact CB-CD2 4.34Å; M118-Y122 HydrophobicContact CB-CE2 4.3Å; M118-Y122 WeakPolarHBondContact O-CD2 3.21Å; M118-Y122 PolarHBondContact O-N 2.98Å; S119-Y122 PolarHBondContact O-N 2.94Å; Y122-L458 HydrophobicContact CD2-CD1 3.69Å; Y122-L458 HydrophobicContact CD2-CG 4.48Å; Y122-L458 HydrophobicContact CE2-CD1 4.43Å; Y122-K461 HydrophobicContact CG-CB 4.47Å; Y122-K461 WeakPolarHBondContact O-CD 3.39Å; Y122-K461 PolarHBondContact O-NZ 2.87Å; Y122-A462 HydrophobicContact CD2-CB 4.28Å; Y122-A462 HydrophobicContact CE1-CB 4.04Å; Y122-A462 HydrophobicContact CE2-CB 3.76Å; Y122-Y465 HydrophobicContact CD1-CG 4.32Å; Y122-Y465 HydrophobicContact CE1-CD1 4.43Å; Y122-Y465 HydrophobicContact CE1-CG 4.11Å
123F90.9Very high89.8Confident37 Ų3747.4 Ų47.416%0.16224%0.244CC..Hα-helixtrans-100.9-11.6-177.1-56.9-63.6000114.3S119 L457 L458 K461S119-F123 WeakPolarHBondContact O-CA 3.39Å; S119-F123 VanDerWaalsContact O-CB 3.31Å; S119-F123 WeakPolarHBondContact O-CB 3.37Å; S119-F123 PolarHBondContact O-N 3.09Å; F123-L457 HydrophobicContact CE1-CB 3.71Å; F123-L457 HydrophobicContact CZ-CB 3.64Å; F123-L458 HydrophobicContact CE2-CB 4.4Å; F123-L458 HydrophobicContact CE2-CD1 3.84Å; F123-L458 HydrophobicContact CZ-CB 4.21Å; F123-L458 HydrophobicContact CZ-CD1 4.31Å; F123-K461 HydrophobicContact CD1-CD 3.5Å; F123-K461 VanDerWaalsContact CD1-CE 3.48Å; F123-K461 HydrophobicContact CD1-CG 4.4Å; F123-K461 HydrophobicContact CE1-CD 3.61Å; F123-K461 HydrophobicContact CE1-CG 4.01Å
124G88.3Confident90.2Very high32 Ų3247.1 Ų47.133%0.3324%0.244SC..Hα-helixtrans66.8-171.4-171.800000112.2L120 M126 N128L120-G124 WeakPolarHBondContact O-CA 3.17Å; L120-G124 PolarHBondContact O-N 3.21Å; G124-M126 PolarHBondContact O-N 3.38Å; G124-N128 WeakPolarHBondContact O-CB 3.06Å; G124-N128 PolarHBondContact O-N 3.2Å
125K88.7Confident90.5Very high155 Ų15543.4 Ų43.467%0.67423%0.227SC*.Hα-helixtrans-59.4-49.4-170.8-65.6178.2-177.8171.40113.3N128 V129K125-N128 PolarHBondContact O-N 3.41Å; K125-V129 WeakPolarHBondContact O-CG2 3.25Å; K125-V129 PolarHBondContact O-N 2.94Å
126M89.4Confident90.9Very high145 Ų14543.6 Ų43.671%0.71423%0.229SC*.Hα-helixtrans-67-47.8-175-70.7-62.4107.300112.7G124 N128 V129 L130G124-M126 PolarHBondContact O-N 3.38Å; M126-N128 VanDerWaalsContact C-N 3.25Å; M126-N128 PolarHBondContact O-N 3.3Å; M126-V129 PolarHBondContact O-N 2.76Å; M126-L130 PolarHBondContact O-N 3.27Å; M126-L130 VanDerWaalsContact O-N 3.15Å
127G89.8Confident91.4Very high21 Ų2144.4 Ų44.422%0.21624%0.235CC..Hα-helixtrans-68-29.8178.400000112.3L130 M131G127-L130 PolarHBondContact O-N 3.42Å; G127-M131 PolarHBondContact O-N 3.32Å
128N91.2Very high91.8Very high1 Ų141.1 Ų41.11%0.00522%0.219CC..Hα-helixtrans-66.9-41.5173.2-163.134.7000113.1G116 S119 L120 G124 K125 M126 L130 M131 Y132 F400G116-N128 PolarHBondContact O-OD1 3.09Å; S119-N128 VanDerWaalsContact CB-OD1 3.25Å; S119-N128 WeakPolarHBondContact CB-OD1 3.46Å; S119-N128 WeakPolarHBondContact OG-CA 3.32Å; S119-N128 PolarHBondContact OG-OD1 3.45Å; L120-N128 HydrophobicContact CB-CB 4.46Å; L120-N128 WeakPolarHBondContact CB-ND2 3.13Å; L120-N128 HydrophobicContact CD1-CB 4.29Å; L120-N128 PolarHBondContact N-OD1 2.93Å; G124-N128 WeakPolarHBondContact O-CB 3.06Å; G124-N128 PolarHBondContact O-N 3.2Å; K125-N128 PolarHBondContact O-N 3.41Å; M126-N128 VanDerWaalsContact C-N 3.25Å; M126-N128 PolarHBondContact O-N 3.3Å; N128-L130 VanDerWaalsContact C-N 3.33Å; N128-L130 PolarHBondContact O-N 3.27Å; N128-M131 PolarHBondContact O-N 3.39Å; N128-Y132 WeakPolarHBondContact ND2-CE2 3.45Å; N128-Y132 WeakPolarHBondContact O-CD2 3.31Å; N128-Y132 PolarHBondContact O-N 3.47Å; N128-Y132 WeakPolarHBondContact OD1-CE2 3.29Å; N128-F400 WeakPolarHBondContact ND2-CZ 3.23Å
129V92.5Very high92.1Very high22 Ų2241.3 Ų41.313%0.13322%0.221CC..Hα-helixtrans-56.7-47.4172.7165.30000110.9K125 M126 M131 Y132 I133 L397 F400K125-V129 WeakPolarHBondContact O-CG2 3.25Å; K125-V129 PolarHBondContact O-N 2.94Å; M126-V129 PolarHBondContact O-N 2.76Å; V129-M131 VanDerWaalsContact C-N 3.3Å; V129-M131 PolarHBondContact O-N 3.42Å; V129-Y132 PolarHBondContact O-N 2.99Å; V129-I133 HydrophobicContact CG1-CD1 3.8Å; V129-I133 VanDerWaalsContact O-CG1 3.28Å; V129-I133 WeakPolarHBondContact O-CG1 3.1Å; V129-I133 PolarHBondContact O-N 3.01Å; V129-L397 HydrophobicContact CB-CD1 4.4Å; V129-L397 HydrophobicContact CG1-CD1 3.97Å; V129-L397 HydrophobicContact CG2-CD1 4.33Å; V129-F400 HydrophobicContact CG2-CB 4.21Å; V129-F400 HydrophobicContact CG2-CD1 4.3Å; V129-F400 HydrophobicContact CG2-CD2 4.38Å; V129-F400 HydrophobicContact CG2-CG 4.02Å
130L93Very high92.6Very high120 Ų12043.7 Ų43.763%0.62823%0.23SC*.Hα-helixtrans-60.4-39.4177.3-68.1174.9000112.5M126 G127 N128 I133 N134M126-L130 PolarHBondContact O-N 3.27Å; M126-L130 VanDerWaalsContact O-N 3.15Å; G127-L130 PolarHBondContact O-N 3.42Å; N128-L130 VanDerWaalsContact C-N 3.33Å; N128-L130 PolarHBondContact O-N 3.27Å; L130-I133 PolarHBondContact O-N 2.91Å; L130-N134 PolarHBondContact O-N 2.92Å; L130-N134 VanDerWaalsContact O-N 3.09Å
131M91.3Very high93Very high5 Ų540.1 Ų40.13%0.02521%0.213CC..Hα-helixtrans-65.2-48.7176.3179.343172.100111.8L115 S119 G127 N128 V129 I133 N134 I135 I454L115-M131 HydrophobicContact CD2-CE 3.22Å; L115-M131 HydrophobicContact CG-CE 3.73Å; S119-M131 WeakPolarHBondContact OG-CB 3.36Å; G127-M131 PolarHBondContact O-N 3.32Å; N128-M131 PolarHBondContact O-N 3.39Å; V129-M131 VanDerWaalsContact C-N 3.3Å; V129-M131 PolarHBondContact O-N 3.42Å; M131-I133 VanDerWaalsContact C-N 3.26Å; M131-I133 PolarHBondContact O-N 3.03Å; M131-N134 PolarHBondContact O-N 2.98Å; M131-N134 VanDerWaalsContact O-N 3.12Å; M131-I135 HydrophobicContact CE-CD1 3.54Å; M131-I135 HydrophobicContact CE-CG1 3.54Å; M131-I135 HydrophobicContact CG-CD1 3.96Å; M131-I135 HydrophobicContact CG-CG1 4.42Å; M131-I135 WeakPolarHBondContact O-CG1 3.36Å; M131-I135 PolarHBondContact O-N 3.45Å; M131-I135 HydrophobicContact SD-CD1 3.96Å; M131-I135 HydrophobicContact SD-CG1 3.82Å; M131-I454 HydrophobicContact CE-CB 3.88Å; M131-I454 HydrophobicContact CE-CD1 3.66Å; M131-I454 HydrophobicContact CE-CG1 3.85Å; M131-I454 HydrophobicContact CE-CG2 3.46Å; M131-I454 VanDerWaalsContact CE-CG2 3.46Å; M131-I454 HydrophobicContact CG-CG1 4.47Å; M131-I454 HydrophobicContact SD-CB 4.03Å; M131-I454 HydrophobicContact SD-CD1 3.06Å; M131-I454 WeakPolarHBondContact SD-CD1 3.23Å; M131-I454 HydrophobicContact SD-CG1 3.32Å; M131-I454 WeakPolarHBondContact SD-CG1 3.47Å; M131-I454 HydrophobicContact SD-CG2 3.87Å
132Y92.6Very high93.3Very high19 Ų1937.9 Ų37.98%0.07520%0.201CC..Hα-helixtrans-59.1-38.4176.3-88.1-77.6000112N128 V129 I135 C136 N393 F400N128-Y132 WeakPolarHBondContact ND2-CE2 3.45Å; N128-Y132 WeakPolarHBondContact O-CD2 3.31Å; N128-Y132 PolarHBondContact O-N 3.47Å; N128-Y132 WeakPolarHBondContact OD1-CE2 3.29Å; V129-Y132 PolarHBondContact O-N 2.99Å; Y132-I135 PolarHBondContact O-N 3.46Å; Y132-C136 VanDerWaalsContact O-CB 3.25Å; Y132-C136 WeakPolarHBondContact O-CB 3.5Å; Y132-C136 PolarHBondContact O-N 3.35Å; Y132-C136 PolarHBondContact O-SG 3.23Å; Y132-N393 HydrophobicContact CD1-CB 4.1Å; Y132-N393 HydrophobicContact CE1-CB 4.34Å; Y132-N393 VanDerWaalsContact CE1-OD1 3.23Å; Y132-N393 WeakPolarHBondContact CE1-OD1 3.47Å; Y132-F400 HydrophobicContact CD2-CE2 4.27Å; Y132-F400 HydrophobicContact CE2-CE2 4.25Å
133I94.9Very high93.5Very high83 Ų8337.2 Ų37.243%0.42620%0.198SC..Hα-helixtrans-60.3-46.8174.6-70.3165.8000110.9V129 L130 M131 C136 A137 L397V129-I133 HydrophobicContact CG1-CD1 3.8Å; V129-I133 VanDerWaalsContact O-CG1 3.28Å; V129-I133 WeakPolarHBondContact O-CG1 3.1Å; V129-I133 PolarHBondContact O-N 3.01Å; L130-I133 PolarHBondContact O-N 2.91Å; M131-I133 VanDerWaalsContact C-N 3.26Å; M131-I133 PolarHBondContact O-N 3.03Å; I133-C136 PolarHBondContact O-N 2.9Å; I133-A137 WeakPolarHBondContact O-CB 3.12Å; I133-A137 PolarHBondContact O-N 3.47Å; I133-L397 HydrophobicContact CG1-CD1 4.38Å; I133-L397 HydrophobicContact CG1-CD2 4.05Å
134N94.9Very high93.9Very high27 Ų2735.7 Ų35.714%0.14419%0.192CC..Hα-helixtrans-64.8-43.2179-178.7-104.6000112.4L130 M131 A137 Y138 F446 I450 I454L130-N134 PolarHBondContact O-N 2.92Å; L130-N134 VanDerWaalsContact O-N 3.09Å; M131-N134 PolarHBondContact O-N 2.98Å; M131-N134 VanDerWaalsContact O-N 3.12Å; N134-A137 PolarHBondContact O-N 2.88Å; N134-Y138 WeakPolarHBondContact O-CB 3.16Å; N134-Y138 PolarHBondContact O-N 3.44Å; N134-F446 PolarHBondContact ND2-O 3.45Å; N134-F446 PolarHBondContact OD1-O 2.84Å; N134-I450 WeakPolarHBondContact OD1-CG1 3.35Å; N134-I450 PolarHBondContact OD1-N 3Å; N134-I454 HydrophobicContact CB-CD1 4.33Å; N134-I454 WeakPolarHBondContact OD1-CD1 3.44Å
135I93.8Very high94.3Very high7 Ų734.3 Ų34.34%0.03618%0.177CC..Hα-helixtrans-59.7-49.2173.5-64.6170.7000110.5M131 Y132 A137 Y138 L139 I450M131-I135 HydrophobicContact CE-CD1 3.54Å; M131-I135 HydrophobicContact CE-CG1 3.54Å; M131-I135 HydrophobicContact CG-CD1 3.96Å; M131-I135 HydrophobicContact CG-CG1 4.42Å; M131-I135 WeakPolarHBondContact O-CG1 3.36Å; M131-I135 PolarHBondContact O-N 3.45Å; M131-I135 HydrophobicContact SD-CD1 3.96Å; M131-I135 HydrophobicContact SD-CG1 3.82Å; Y132-I135 PolarHBondContact O-N 3.46Å; I135-A137 VanDerWaalsContact C-N 3.35Å; I135-A137 PolarHBondContact O-N 3.48Å; I135-Y138 PolarHBondContact O-N 3.43Å; I135-L139 HydrophobicContact CG2-CD1 3.81Å; I135-L139 HydrophobicContact CG2-CG 4.24Å; I135-L139 VanDerWaalsContact O-CG 3.3Å; I135-L139 WeakPolarHBondContact O-CG 3.06Å; I135-L139 PolarHBondContact O-N 3.41Å; I135-I450 HydrophobicContact CG1-CD1 4.35Å
136C95.7Very high94.7Very high9 Ų927.7 Ų27.76%0.06115%0.148CC..Hα-helixtrans-60.9-44.5-179.8-74.10000111.6Y132 I133 L139 Y140 L390 I394Y132-C136 VanDerWaalsContact O-CB 3.25Å; Y132-C136 WeakPolarHBondContact O-CB 3.5Å; Y132-C136 PolarHBondContact O-N 3.35Å; Y132-C136 PolarHBondContact O-SG 3.23Å; I133-C136 PolarHBondContact O-N 2.9Å; C136-L139 PolarHBondContact O-N 2.79Å; C136-Y140 VanDerWaalsContact O-CD2 3.28Å; C136-Y140 WeakPolarHBondContact O-CD2 3.38Å; C136-Y140 PolarHBondContact O-N 2.8Å; C136-L390 HydrophobicContact CB-CD1 3.7Å; C136-I394 HydrophobicContact CB-CG1 4.47Å
137A96.7Very high95.1Very high22 Ų2220.8 Ų20.818%0.18211%0.114CC..Hα-helixtrans-63.4-41178.300000112.3I133 N134 I135 Y140 G141 F446I133-A137 WeakPolarHBondContact O-CB 3.12Å; I133-A137 PolarHBondContact O-N 3.47Å; N134-A137 PolarHBondContact O-N 2.88Å; I135-A137 VanDerWaalsContact C-N 3.35Å; I135-A137 PolarHBondContact O-N 3.48Å; A137-Y140 WeakPolarHBondContact O-CB 3.41Å; A137-Y140 PolarHBondContact O-N 2.95Å; A137-G141 PolarHBondContact O-N 2.88Å; A137-F446 HydrophobicContact CB-CD1 3.47Å; A137-F446 VanDerWaalsContact CB-CD1 3.47Å; A137-F446 HydrophobicContact CB-CD2 4.27Å; A137-F446 HydrophobicContact CB-CE1 3.55Å; A137-F446 HydrophobicContact CB-CE2 4.33Å; A137-F446 HydrophobicContact CB-CG 3.87Å; A137-F446 HydrophobicContact CB-CZ 3.99Å
138Y95.8Very high95.4Very high9 Ų919.8 Ų19.84%0.03510%0.104CC..Hα-helixtrans-61-49.1172.7171.3-92.5000112.1N134 I135 Y140 G141 D142 Y288 M291 T442 F446 I450N134-Y138 WeakPolarHBondContact O-CB 3.16Å; N134-Y138 PolarHBondContact O-N 3.44Å; I135-Y138 PolarHBondContact O-N 3.43Å; Y138-Y140 VanDerWaalsContact C-N 3.28Å; Y138-Y140 PolarHBondContact O-N 3.2Å; Y138-G141 CarbonylContact O-C 3.58Å; Y138-G141 VanDerWaalsContact O-CA 3.29Å; Y138-G141 WeakPolarHBondContact O-CA 3.41Å; Y138-G141 PolarHBondContact O-N 3.23Å; Y138-D142 WeakPolarHBondContact CE1-OD2 3.42Å; Y138-D142 PolarHBondContact O-N 2.92Å; Y138-D142 PolarHBondContact OH-OD1 3.33Å; Y138-D142 VanDerWaalsContact OH-OD1 3.05Å; Y138-D142 PolarHBondContact OH-OD2 2.73Å; Y138-Y288 AromaticContact CE2-CD2 3.96Å; Y138-Y288 HydrophobicContact CE2-CD2 3.96Å; Y138-Y288 AromaticContact CE2-CE2 3.95Å; Y138-Y288 HydrophobicContact CE2-CE2 3.95Å; Y138-Y288 WeakPolarHBondContact OH-CE2 3.44Å; Y138-M291 HydrophobicContact CD1-CE 4.44Å; Y138-M291 HydrophobicContact CD1-SD 4.14Å; Y138-M291 HydrophobicContact CD2-SD 3.85Å; Y138-M291 HydrophobicContact CE1-CE 3.55Å; Y138-M291 HydrophobicContact CE1-SD 3.66Å; Y138-M291 HydrophobicContact CE2-CE 4.05Å; Y138-M291 HydrophobicContact CE2-SD 3.29Å; Y138-M291 WeakPolarHBondContact CE2-SD 3.46Å; Y138-M291 HydrophobicContact CG-SD 4.25Å; Y138-M291 WeakPolarHBondContact OH-CE 3.46Å; Y138-T442 HydrophobicContact CD2-CG2 3.96Å; Y138-T442 HydrophobicContact CE2-CG2 4.15Å; Y138-F446 HydrophobicContact CD2-CB 4.42Å; Y138-I450 VanDerWaalsContact CB-CD1 3.46Å; Y138-I450 HydrophobicContact CD1-CD1 3.72Å; Y138-I450 HydrophobicContact CD2-CD1 4.17Å; Y138-I450 HydrophobicContact CG-CD1 3.48Å; Y138-I450 VanDerWaalsContact CG-CD1 3.48Å
139L96Very high95.7Very high5 Ų519.9 Ų19.93%0.02611%0.105CC..Hα-helixtrans-65.2-32.4-179.8-66.4173.8000111.8I135 C136 G141 D142 L143 V386 L390 N393I135-L139 HydrophobicContact CG2-CD1 3.81Å; I135-L139 HydrophobicContact CG2-CG 4.24Å; I135-L139 VanDerWaalsContact O-CG 3.3Å; I135-L139 WeakPolarHBondContact O-CG 3.06Å; I135-L139 PolarHBondContact O-N 3.41Å; C136-L139 PolarHBondContact O-N 2.79Å; L139-G141 VanDerWaalsContact C-N 3.31Å; L139-D142 WeakPolarHBondContact O-CB 3.2Å; L139-D142 PolarHBondContact O-N 3.12Å; L139-L143 WeakPolarHBondContact O-CG 3.33Å; L139-L143 PolarHBondContact O-N 2.97Å; L139-V386 HydrophobicContact CB-CG1 4.38Å; L139-V386 HydrophobicContact CD2-CG1 3.96Å; L139-L390 HydrophobicContact CB-CB 4.08Å; L139-L390 HydrophobicContact CB-CD1 4.07Å; L139-L390 HydrophobicContact CB-CD2 4.39Å; L139-L390 HydrophobicContact CB-CG 4.41Å; L139-L390 HydrophobicContact CD1-CB 4.15Å; L139-L390 HydrophobicContact CD1-CD1 4.4Å; L139-N393 WeakPolarHBondContact CD1-ND2 3.17Å
140Y97.7Very high95.9Very high49 Ų4919 Ų1919%0.19210%0.1CC..Hα-helixtrans-61.3-41.1167.8-91.7-63.5000112C136 A137 Y138 L143 T144 L390 I394 V420 V421 P424 P425C136-Y140 VanDerWaalsContact O-CD2 3.28Å; C136-Y140 WeakPolarHBondContact O-CD2 3.38Å; C136-Y140 PolarHBondContact O-N 2.8Å; A137-Y140 WeakPolarHBondContact O-CB 3.41Å; A137-Y140 PolarHBondContact O-N 2.95Å; Y138-Y140 VanDerWaalsContact C-N 3.28Å; Y138-Y140 PolarHBondContact O-N 3.2Å; Y140-L143 PolarHBondContact O-N 3.23Å; Y140-T144 WeakPolarHBondContact O-CB 3.46Å; Y140-T144 PolarHBondContact O-N 2.95Å; Y140-T144 PolarHBondContact O-OG1 3.27Å; Y140-L390 HydrophobicContact CD1-CD2 3.71Å; Y140-L390 HydrophobicContact CD2-CD1 4.18Å; Y140-L390 HydrophobicContact CD2-CD2 3.79Å; Y140-L390 HydrophobicContact CE1-CD2 3.77Å; Y140-L390 HydrophobicContact CE2-CD1 4.18Å; Y140-L390 HydrophobicContact CE2-CD2 3.85Å; Y140-L390 HydrophobicContact CE2-CG 4.46Å; Y140-L390 HydrophobicContact CG-CD2 3.71Å; Y140-I394 HydrophobicContact CE2-CD1 3.93Å; Y140-I394 WeakPolarHBondContact OH-CD1 3.27Å; Y140-V420 PolarHBondContact OH-O 3.17Å; Y140-V421 WeakPolarHBondContact CE1-O 3.45Å; Y140-P424 HydrophobicContact CD1-CB 4.34Å; Y140-P424 HydrophobicContact CE1-CB 3.96Å; Y140-P424 HydrophobicContact CE1-CG 3.96Å; Y140-P425 HydrophobicContact CD1-CG 4.24Å
141G97Very high96.1Very high6 Ų613.4 Ų13.46%0.0627%0.07CC..Hα-helixtrans-58.3-47.6172.700000112.3A137 Y138 L139 L143 T144 I145 T442A137-G141 PolarHBondContact O-N 2.88Å; Y138-G141 CarbonylContact O-C 3.58Å; Y138-G141 VanDerWaalsContact O-CA 3.29Å; Y138-G141 WeakPolarHBondContact O-CA 3.41Å; Y138-G141 PolarHBondContact O-N 3.23Å; L139-G141 VanDerWaalsContact C-N 3.31Å; G141-L143 PolarHBondContact O-N 3.36Å; G141-T144 WeakPolarHBondContact O-CB 2.99Å; G141-T144 PolarHBondContact O-N 2.95Å; G141-T144 VanDerWaalsContact O-N 3.14Å; G141-I145 VanDerWaalsContact O-CG1 3.28Å; G141-I145 WeakPolarHBondContact O-CG1 3.41Å; G141-I145 PolarHBondContact O-N 3.43Å; G141-T442 WeakPolarHBondContact CA-OG1 3.35Å
142D96.4Very high96.3Very high7 Ų713.8 Ų13.84%0.0377%0.071CC..Hα-helixtrans-53.7-51.3173.4-83-11.5000111.9Y138 L139 T144 I145 Y146 Y288 V386Y138-D142 WeakPolarHBondContact CE1-OD2 3.42Å; Y138-D142 PolarHBondContact O-N 2.92Å; Y138-D142 PolarHBondContact OH-OD1 3.33Å; Y138-D142 VanDerWaalsContact OH-OD1 3.05Å; Y138-D142 PolarHBondContact OH-OD2 2.73Å; L139-D142 WeakPolarHBondContact O-CB 3.2Å; L139-D142 PolarHBondContact O-N 3.12Å; D142-T144 VanDerWaalsContact C-N 3.27Å; D142-T144 PolarHBondContact O-N 3.03Å; D142-I145 PolarHBondContact O-N 3.11Å; D142-Y146 HydrophobicContact CB-CE2 4.26Å; D142-Y146 WeakPolarHBondContact O-CD1 3.46Å; D142-Y146 PolarHBondContact O-N 3.43Å; D142-Y288 WeakPolarHBondContact OD1-CE2 3.45Å; D142-Y288 PolarHBondContact OD1-OH 3.13Å; D142-V386 HydrophobicContact CB-CG1 3.85Å
143L97.6Very high96.5Very high0 Ų012.9 Ų12.90%07%0.068CC..Hα-helixtrans-62-37.2179.5-65.7-178.1000111.8L139 Y140 G141 Y146 S147 F383 V386 L390 V421 P425L139-L143 WeakPolarHBondContact O-CG 3.33Å; L139-L143 PolarHBondContact O-N 2.97Å; Y140-L143 PolarHBondContact O-N 3.23Å; G141-L143 PolarHBondContact O-N 3.36Å; L143-Y146 PolarHBondContact O-N 3.34Å; L143-S147 WeakPolarHBondContact O-CB 3.48Å; L143-S147 PolarHBondContact O-N 2.65Å; L143-S147 PolarHBondContact O-OG 2.98Å; L143-F383 HydrophobicContact CB-CE2 3.92Å; L143-F383 HydrophobicContact CB-CZ 4.09Å; L143-F383 HydrophobicContact CD1-CZ 4.45Å; L143-F383 HydrophobicContact CD2-CD1 3.85Å; L143-F383 HydrophobicContact CD2-CD2 3.82Å; L143-F383 HydrophobicContact CD2-CE1 3.87Å; L143-F383 HydrophobicContact CD2-CE2 3.81Å; L143-F383 HydrophobicContact CD2-CG 3.84Å; L143-F383 HydrophobicContact CD2-CZ 3.85Å; L143-F383 HydrophobicContact CG-CE2 4.4Å; L143-F383 HydrophobicContact CG-CZ 4.34Å; L143-F383 WeakPolarHBondContact O-CE2 3.19Å; L143-V386 HydrophobicContact CD2-CB 3.9Å; L143-V386 HydrophobicContact CD2-CG1 3.7Å; L143-V386 HydrophobicContact CG-CG1 4Å; L143-L390 HydrophobicContact CD1-CD2 3.78Å; L143-V421 HydrophobicContact CD1-CG1 3.88Å; L143-P425 HydrophobicContact CB-CB 3.75Å; L143-P425 HydrophobicContact CB-CG 3.86Å; L143-P425 HydrophobicContact CD1-CG 4.3Å
144T98.1Very high96.5Very high5 Ų511.2 Ų11.23%0.0316%0.06CC..Hα-helixtrans-65.8-43.7176.6-54.80000111.2Y140 G141 D142 Y146 S147 S148 P425 I428 S429 L438Y140-T144 WeakPolarHBondContact O-CB 3.46Å; Y140-T144 PolarHBondContact O-N 2.95Å; Y140-T144 PolarHBondContact O-OG1 3.27Å; G141-T144 WeakPolarHBondContact O-CB 2.99Å; G141-T144 PolarHBondContact O-N 2.95Å; G141-T144 VanDerWaalsContact O-N 3.14Å; D142-T144 VanDerWaalsContact C-N 3.27Å; D142-T144 PolarHBondContact O-N 3.03Å; T144-Y146 VanDerWaalsContact C-N 3.31Å; T144-Y146 PolarHBondContact O-N 3.22Å; T144-S147 WeakPolarHBondContact CA-OG 3.46Å; T144-S147 PolarHBondContact O-OG 3.26Å; T144-S148 VanDerWaalsContact O-CB 3.31Å; T144-S148 WeakPolarHBondContact O-CB 3.44Å; T144-S148 PolarHBondContact O-N 2.93Å; T144-S148 PolarHBondContact O-OG 3.32Å; T144-P425 WeakPolarHBondContact OG1-CA 3.34Å; T144-P425 WeakPolarHBondContact OG1-CB 3.05Å; T144-I428 HydrophobicContact CG2-CB 3.69Å; T144-I428 HydrophobicContact CG2-CG2 3.45Å; T144-I428 VanDerWaalsContact CG2-CG2 3.45Å; T144-S429 PolarHBondContact O-OG 3.34Å; T144-L438 HydrophobicContact CG2-CD1 4.07Å; T144-L438 HydrophobicContact CG2-CD2 3.82Å
145I97.3Very high96.4Very high3 Ų310.4 Ų10.42%0.0156%0.055CC..Hα-helixtrans-59.9-45.2175.2-68.1162.1000109.6G141 D142 S148 A149 Y288 V435 L438 T442G141-I145 VanDerWaalsContact O-CG1 3.28Å; G141-I145 WeakPolarHBondContact O-CG1 3.41Å; G141-I145 PolarHBondContact O-N 3.43Å; D142-I145 PolarHBondContact O-N 3.11Å; I145-S148 PolarHBondContact O-N 2.93Å; I145-A149 WeakPolarHBondContact O-CB 3.46Å; I145-A149 PolarHBondContact O-N 3.45Å; I145-Y288 HydrophobicContact CD1-CD2 4.34Å; I145-Y288 HydrophobicContact CD1-CE1 4.29Å; I145-Y288 HydrophobicContact CD1-CE2 3.66Å; I145-V435 HydrophobicContact CG2-CG1 3.83Å; I145-L438 HydrophobicContact CG1-CB 3.94Å; I145-T442 HydrophobicContact CD1-CG2 4.36Å
146Y96.8Very high96.2Very high17 Ų1710.8 Ų10.87%0.0676%0.057CC..Hα-helixtrans-69.7-44.8-177.3-60.6-6.2000112.4T28 D142 L143 T144 S148 A149 V150 L379 F383 V386T28-Y146 HydrophobicContact CG2-CD1 4.43Å; T28-Y146 HydrophobicContact CG2-CE1 3.62Å; D142-Y146 HydrophobicContact CB-CE2 4.26Å; D142-Y146 WeakPolarHBondContact O-CD1 3.46Å; D142-Y146 PolarHBondContact O-N 3.43Å; L143-Y146 PolarHBondContact O-N 3.34Å; T144-Y146 VanDerWaalsContact C-N 3.31Å; T144-Y146 PolarHBondContact O-N 3.22Å; Y146-S148 PolarHBondContact O-N 2.91Å; Y146-A149 PolarHBondContact O-N 2.92Å; Y146-V150 WeakPolarHBondContact O-CG2 3.38Å; Y146-V150 PolarHBondContact O-N 3.47Å; Y146-L379 HydrophobicContact CD1-CD1 4.42Å; Y146-L379 HydrophobicContact CD1-CD2 3.83Å; Y146-L379 HydrophobicContact CD1-CG 4.49Å; Y146-L379 HydrophobicContact CE1-CD2 4.04Å; Y146-L379 HydrophobicContact CG-CB 4.35Å; Y146-L379 HydrophobicContact CG-CD2 4.42Å; Y146-F383 HydrophobicContact CD2-CB 4.31Å; Y146-F383 HydrophobicContact CD2-CD2 4.33Å; Y146-V386 HydrophobicContact CE2-CB 4.33Å; Y146-V386 HydrophobicContact CE2-CG2 3.87Å
147S97.8Very high95.9Very high0 Ų012 Ų120%06%0.064CC..Hα-helixtrans-69-15.1175.748.40000113.4L143 T144 P151 S429L143-S147 WeakPolarHBondContact O-CB 3.48Å; L143-S147 PolarHBondContact O-N 2.65Å; L143-S147 PolarHBondContact O-OG 2.98Å; T144-S147 WeakPolarHBondContact CA-OG 3.46Å; T144-S147 PolarHBondContact O-OG 3.26Å; S147-P151 WeakPolarHBondContact O-CD 3.25Å; S147-P151 WeakPolarHBondContact O-CG 3.38Å; S147-S429 PolarHBondContact OG-OG 3.17Å
148S97.4Very high95.6Very high0 Ų014.2 Ų14.20%07%0.072CC..Hα-helixtrans-89.5-44170.5-520000112.1T144 I145 Y146 K152 Y186 S429 L438T144-S148 VanDerWaalsContact O-CB 3.31Å; T144-S148 WeakPolarHBondContact O-CB 3.44Å; T144-S148 PolarHBondContact O-N 2.93Å; T144-S148 PolarHBondContact O-OG 3.32Å; I145-S148 PolarHBondContact O-N 2.93Å; Y146-S148 PolarHBondContact O-N 2.91Å; S148-K152 WeakPolarHBondContact O-CB 3.48Å; S148-K152 PolarHBondContact O-N 2.94Å; S148-Y186 WeakPolarHBondContact CA-OH 3.17Å; S148-S429 PolarHBondContact N-OG 3.07Å; S148-S429 WeakPolarHBondContact OG-CB 3.19Å; S148-S429 PolarHBondContact OG-OG 2.88Å; S148-L438 WeakPolarHBondContact OG-CD1 3.37Å
149A97Very high95.1Very high3 Ų313.9 Ų13.93%0.0257%0.071CC..Hα-helixtrans-69.9-42.1-175.500000112.9I145 Y146 K152 S153 I342 L379 V435I145-A149 WeakPolarHBondContact O-CB 3.46Å; I145-A149 PolarHBondContact O-N 3.45Å; Y146-A149 PolarHBondContact O-N 2.92Å; A149-K152 PolarHBondContact O-N 3.46Å; A149-S153 WeakPolarHBondContact O-CB 3.04Å; A149-S153 PolarHBondContact O-N 2.9Å; A149-S153 PolarHBondContact O-OG 3.22Å; A149-I342 HydrophobicContact CB-CD1 3.78Å; A149-L379 HydrophobicContact CB-CD1 3.4Å; A149-V435 HydrophobicContact CB-CG1 4.2Å; A149-V435 HydrophobicContact CB-CG2 4.07Å
150V97Very high93.9Very high4 Ų415.2 Ų15.22%0.0248%0.081CC..Hα-helixtrans-61.8-54.4-178.8171.60000111.7Y146 K152 S153 L154 F193 V376 L379Y146-V150 WeakPolarHBondContact O-CG2 3.38Å; Y146-V150 PolarHBondContact O-N 3.47Å; V150-K152 VanDerWaalsContact C-N 3.31Å; V150-K152 PolarHBondContact O-N 3.32Å; V150-S153 PolarHBondContact O-N 3.16Å; V150-L154 WeakPolarHBondContact O-CB 3.32Å; V150-L154 PolarHBondContact O-N 3.42Å; V150-F193 HydrophobicContact CB-CD2 4.21Å; V150-F193 HydrophobicContact CB-CE2 4.06Å; V150-F193 HydrophobicContact CB-CZ 4.49Å; V150-F193 HydrophobicContact CG1-CD2 3.67Å; V150-F193 HydrophobicContact CG1-CE2 3.81Å; V150-F193 HydrophobicContact CG1-CG 4.44Å; V150-F193 HydrophobicContact CG2-CE2 4.13Å; V150-F193 HydrophobicContact CG2-CZ 4.4Å; V150-V376 HydrophobicContact CG1-CB 4.43Å; V150-V376 HydrophobicContact CG1-CG1 4.07Å; V150-V376 HydrophobicContact CG1-CG2 4.34Å; V150-L379 HydrophobicContact CG2-CB 3.54Å; V150-L379 HydrophobicContact CG2-CD1 4.26Å; V150-L379 HydrophobicContact CG2-CG 4.44Å
151P97.6Very high92.5Very high1 Ų115.1 Ų15.11%0.0068%0.082CC..Hα-helixtrans-64.7-33.1178.1-26.340.6000113S147 L154 R155 Y186 L189 V190 F193S147-P151 WeakPolarHBondContact O-CD 3.25Å; S147-P151 WeakPolarHBondContact O-CG 3.38Å; P151-L154 PolarHBondContact O-N 3.23Å; P151-R155 VanDerWaalsContact O-CB 3.26Å; P151-R155 WeakPolarHBondContact O-CB 3.33Å; P151-R155 PolarHBondContact O-N 3.23Å; P151-Y186 HydrophobicContact CB-CD2 3.92Å; P151-Y186 HydrophobicContact CB-CE2 3.85Å; P151-L189 HydrophobicContact CB-CB 3.76Å; P151-V190 HydrophobicContact CB-CG2 3.77Å; P151-V190 HydrophobicContact CG-CB 4.27Å; P151-V190 HydrophobicContact CG-CG2 3.72Å; P151-F193 HydrophobicContact CG-CB 4.19Å
152K95.2Very high90.5Very high13 Ų1321.8 Ų21.86%0.05712%0.116CC..Hα-helixtrans-64.7-47.6176.8-177.1167.3-174.71700111.9S148 A149 V150 R155 N156 Y186 D341 I342 L345 H433 V435S148-K152 WeakPolarHBondContact O-CB 3.48Å; S148-K152 PolarHBondContact O-N 2.94Å; A149-K152 PolarHBondContact O-N 3.46Å; V150-K152 VanDerWaalsContact C-N 3.31Å; V150-K152 PolarHBondContact O-N 3.32Å; K152-R155 PolarHBondContact O-N 2.96Å; K152-N156 PolarHBondContact O-N 2.84Å; K152-N156 VanDerWaalsContact O-N 3.11Å; K152-Y186 HydrophobicContact CB-CD2 4.28Å; K152-Y186 HydrophobicContact CB-CE2 4.01Å; K152-D341 VanDerWaalsContact CE-OD1 3.26Å; K152-D341 WeakPolarHBondContact CE-OD1 3.23Å; K152-D341 IonicContact NZ-OD1 3.17Å; K152-D341 PolarHBondContact NZ-OD1 2.75Å; K152-D341 IonicContact NZ-OD2 3.17Å; K152-D341 PolarHBondContact NZ-OD2 3.5Å; K152-I342 HydrophobicContact CD-CD1 4.24Å; K152-I342 HydrophobicContact CG-CD1 4.47Å; K152-L345 HydrophobicContact CG-CD1 4.27Å; K152-H433 WeakPolarHBondContact CD-O 3.44Å; K152-H433 PolarHBondContact NZ-O 2.9Å; K152-V435 HydrophobicContact CD-CG2 4.33Å
153S95.3Very high88.4Confident0 Ų025.6 Ų25.60%014%0.136CC..Hα-helixtrans-60.1-45.9173.7-76.10000111.9A149 V150 N156 V157 C372A149-S153 WeakPolarHBondContact O-CB 3.04Å; A149-S153 PolarHBondContact O-N 2.9Å; A149-S153 PolarHBondContact O-OG 3.22Å; V150-S153 PolarHBondContact O-N 3.16Å; S153-N156 PolarHBondContact O-N 2.92Å; S153-V157 PolarHBondContact O-N 3.34Å; S153-C372 WeakPolarHBondContact CB-O 3.44Å
154L95.1Very high86.3Confident48 Ų4830.3 Ų30.325%0.25117%0.169SC..Hα-helixtrans-66.5-41.4-179.3-172.559.7000112.2V150 P151 N156 V157 I158 L189 L373 V376V150-L154 WeakPolarHBondContact O-CB 3.32Å; V150-L154 PolarHBondContact O-N 3.42Å; P151-L154 PolarHBondContact O-N 3.23Å; L154-N156 VanDerWaalsContact C-N 3.33Å; L154-N156 PolarHBondContact O-N 3.44Å; L154-V157 PolarHBondContact O-N 3.34Å; L154-I158 HydrophobicContact CD1-CD1 3.62Å; L154-I158 HydrophobicContact CD1-CG1 4.05Å; L154-I158 HydrophobicContact CD2-CD1 4.29Å; L154-I158 HydrophobicContact CG-CD1 3.62Å; L154-I158 HydrophobicContact CG-CG1 4.33Å; L154-I158 WeakPolarHBondContact O-CB 3.41Å; L154-I158 WeakPolarHBondContact O-CG1 3.44Å; L154-I158 PolarHBondContact O-N 3.46Å; L154-L189 HydrophobicContact CB-CD1 4.13Å; L154-L189 HydrophobicContact CD2-CD1 4.27Å; L154-L189 HydrophobicContact CD2-CD2 3.79Å; L154-L189 HydrophobicContact CG-CD1 4.04Å; L154-L189 HydrophobicContact CG-CD2 4.33Å; L154-L373 HydrophobicContact CD1-CD2 4.21Å; L154-V376 HydrophobicContact CB-CG2 4.25Å
155R93.5Very high84.3Confident10 Ų1037.4 Ų37.44%0.03820%0.195CC..Hα-helixtrans-55.7-48.6172.9178.3-155.257.4-177.24110.6P151 K152 V157 I158 C159 D170 R182 V185 L189P151-R155 VanDerWaalsContact O-CB 3.26Å; P151-R155 WeakPolarHBondContact O-CB 3.33Å; P151-R155 PolarHBondContact O-N 3.23Å; K152-R155 PolarHBondContact O-N 2.96Å; R155-V157 PolarHBondContact O-N 3.37Å; R155-I158 PolarHBondContact O-N 3.44Å; R155-C159 HydrophobicContact CG-CB 4.27Å; R155-C159 WeakPolarHBondContact O-CB 3.34Å; R155-C159 PolarHBondContact O-N 3.16Å; R155-D170 IonicContact NH1-OD1 2.74Å; R155-D170 PolarHBondContact NH1-OD1 3.22Å; R155-D170 VanDerWaalsContact NH1-OD1 3.17Å; R155-R182 WeakPolarHBondContact CD-O 3.42Å; R155-V185 HydrophobicContact CG-CB 4.43Å; R155-V185 HydrophobicContact CG-CG1 4.13Å; R155-L189 HydrophobicContact CB-CD1 4Å
156N89.4Confident82.2Confident15 Ų1543.6 Ų43.68%0.0823%0.228CC..Hα-helixtrans-64.1-27.4-175.7-79.512.1000113K152 S153 L154 R182 L345 L348K152-N156 PolarHBondContact O-N 2.84Å; K152-N156 VanDerWaalsContact O-N 3.11Å; S153-N156 PolarHBondContact O-N 2.92Å; L154-N156 VanDerWaalsContact C-N 3.33Å; L154-N156 PolarHBondContact O-N 3.44Å; N156-R182 PolarHBondContact OD1-NH2 2.83Å; N156-L345 HydrophobicContact CB-CD2 4.22Å; N156-L348 HydrophobicContact CB-CD2 4.27Å; N156-L348 WeakPolarHBondContact O-CD2 3.44Å
157V89.6Confident80.5Confident35 Ų3547.3 Ų47.321%0.21226%0.256CS..Hα-helixtrans-81.3-43.1174.7172.90000111.9S153 L154 R155 L348 Y369 C372 L373S153-V157 PolarHBondContact O-N 3.34Å; L154-V157 PolarHBondContact O-N 3.34Å; R155-V157 PolarHBondContact O-N 3.37Å; V157-L348 HydrophobicContact CG2-CD1 4.39Å; V157-Y369 HydrophobicContact CG1-CD1 3.77Å; V157-Y369 HydrophobicContact CG1-CE1 3.93Å; V157-Y369 HydrophobicContact CG2-CD1 4.28Å; V157-C372 HydrophobicContact CG2-CB 3.56Å; V157-L373 HydrophobicContact CB-CD2 4.43Å; V157-L373 HydrophobicContact CG1-CD2 4.39Å; V157-L373 HydrophobicContact CG2-CD2 4.08Å; V157-L373 HydrophobicContact CG2-CG 4.23Å
158I89.4Confident79.2Confident68 Ų6850 Ų5035%0.34927%0.271SS..Hα-helixtrans-77.3-39.7-173.7-71.8-178.8000112L154 R155 S160 W175L154-I158 HydrophobicContact CD1-CD1 3.62Å; L154-I158 HydrophobicContact CD1-CG1 4.05Å; L154-I158 HydrophobicContact CD2-CD1 4.29Å; L154-I158 HydrophobicContact CG-CD1 3.62Å; L154-I158 HydrophobicContact CG-CG1 4.33Å; L154-I158 WeakPolarHBondContact O-CB 3.41Å; L154-I158 WeakPolarHBondContact O-CG1 3.44Å; L154-I158 PolarHBondContact O-N 3.46Å; R155-I158 PolarHBondContact O-N 3.44Å; I158-S160 PolarHBondContact O-N 3.24Å; I158-S160 VanDerWaalsContact O-N 3.17Å; I158-W175 HydrophobicContact CG2-CH2 3.85Å; I158-W175 HydrophobicContact CG2-CZ2 3.36Å; I158-W175 WeakPolarHBondContact O-CZ2 3.35Å; I158-W175 PolarHBondContact O-NE1 3.09Å
159C85.3Confident78.3Confident2 Ų252.1 Ų52.11%0.01429%0.285CS..  trans-81.197.6-175.6-1780000110.5R155 C174 R182R155-C159 HydrophobicContact CG-CB 4.27Å; R155-C159 WeakPolarHBondContact O-CB 3.34Å; R155-C159 PolarHBondContact O-N 3.16Å; C159-C174 HydrophobicContact CB-CB 4.01Å; C159-C174 WeakPolarHBondContact CB-SG 3.48Å; C159-C174 WeakPolarHBondContact SG-CA 3.05Å; C159-C174 WeakPolarHBondContact SG-CB 3.3Å; C159-C174 CovalentContact SG-SG 2.03Å; C159-C174 PolarHBondContact SG-SG 3.1Å; C159-R182 VanDerWaalsContact SG-CG 3.57Å; C159-R182 PolarHBondContact SG-NH1 3.18Å; C159-R182 VanDerWaalsContact SG-NH1 3.38Å
160S71.5Confident77.7Confident34 Ų3454.6 Ų54.624%0.23830%0.298CS..  trans-70.4138.1170.3-177.20000110.7I158 W175 N351I158-S160 PolarHBondContact O-N 3.24Å; I158-S160 VanDerWaalsContact O-N 3.17Å; S160-W175 PolarHBondContact O-N 3.35Å; S160-W175 VanDerWaalsContact O-N 3.1Å; S160-N351 WeakPolarHBondContact CB-ND2 3.39Å; S160-N351 PolarHBondContact OG-ND2 2.62Å
161F68.5Low77Confident47 Ų4758.7 Ų58.721%0.20633%0.327CS..  trans-125.2139.117656.9-88.4000110.5L168 L348F161-L168 HydrophobicContact CB-CD2 3.63Å; F161-L168 HydrophobicContact CD1-CD1 4.37Å; F161-L168 HydrophobicContact CD1-CD2 3.51Å; F161-L168 HydrophobicContact CD2-CD1 4.02Å; F161-L168 HydrophobicContact CD2-CD2 3.9Å; F161-L168 HydrophobicContact CD2-CG 4.38Å; F161-L168 HydrophobicContact CE1-CD1 4.17Å; F161-L168 HydrophobicContact CE1-CD2 4.08Å; F161-L168 HydrophobicContact CE2-CD1 3.81Å; F161-L168 HydrophobicContact CE2-CD2 4.42Å; F161-L168 HydrophobicContact CG-CD1 4.31Å; F161-L168 HydrophobicContact CG-CD2 3.42Å; F161-L168 VanDerWaalsContact CG-CD2 3.42Å; F161-L168 HydrophobicContact CG-CG 4.36Å; F161-L168 HydrophobicContact CZ-CD1 3.89Å; F161-L348 HydrophobicContact CE1-CD2 4.27Å
162N54.9Low76.4Confident146 Ų14660.2 Ų60.278%0.78134%0.335SS*.  trans-102.416.4-177.2-96.114.8000113.9
163N53.2Low75.9Confident87 Ų8763.7 Ų63.747%0.46535%0.354SS..  trans-117.8129.7-173.6-71.9-17.8000112.3R165N163-R165 PolarHBondContact O-N 2.69Å
164S52Low75.4Confident98 Ų9863.7 Ų63.769%0.68535%0.354SS*.  trans-70.427.7175.4-32.20000114.3E352S164-E352 PolarHBondContact OG-OE1 3.04Å
165R55.9Low74.8Confident155 Ų15566.4 Ų66.459%0.58536%0.361SS*.  trans-86.5134.4177.4-68.4-168.7-154.2142.54.2110.3N163 S167 D172N163-R165 PolarHBondContact O-N 2.69Å; R165-S167 PolarHBondContact O-N 3.49Å; R165-D172 IonicContact NH1-OD1 2.67Å
166D54.5Low73.7Confident132 Ų13269.2 Ų69.271%0.70639%0.393SS*.SBendtrans-62.5-24.5-178.4-60.1-26.6000113.5K264D166-K264 IonicContact OD1-NZ 2.74Å; D166-K264 PolarHBondContact OD1-NZ 3.36Å; D166-K264 IonicContact OD2-NZ 2.72Å; D166-K264 PolarHBondContact OD2-NZ 2.81Å
167S61.3Low72.8Confident95 Ų9573.2 Ų73.266%0.66442%0.422SS*.SBendtrans-132.6115.4-179.161.90000110.8R165R165-S167 PolarHBondContact O-N 3.49Å
168L70.3Confident72Confident58 Ų5875.7 Ų75.730%0.30443%0.434SS..  trans-77.7130.7173.3-77.591000110.6F161 R182F161-L168 HydrophobicContact CB-CD2 3.63Å; F161-L168 HydrophobicContact CD1-CD1 4.37Å; F161-L168 HydrophobicContact CD1-CD2 3.51Å; F161-L168 HydrophobicContact CD2-CD1 4.02Å; F161-L168 HydrophobicContact CD2-CD2 3.9Å; F161-L168 HydrophobicContact CD2-CG 4.38Å; F161-L168 HydrophobicContact CE1-CD1 4.17Å; F161-L168 HydrophobicContact CE1-CD2 4.08Å; F161-L168 HydrophobicContact CE2-CD1 3.81Å; F161-L168 HydrophobicContact CE2-CD2 4.42Å; F161-L168 HydrophobicContact CG-CD1 4.31Å; F161-L168 HydrophobicContact CG-CD2 3.42Å; F161-L168 VanDerWaalsContact CG-CD2 3.42Å; F161-L168 HydrophobicContact CG-CG 4.36Å; F161-L168 HydrophobicContact CZ-CD1 3.89Å; L168-R182 VanDerWaalsContact CD2-CZ 3.49Å
169S79Confident71.7Confident43 Ų4377.5 Ų77.530%0.30145%0.452SS..  trans-86.2153.3173.970.30000110.7S171 D172 R182S169-S171 PolarHBondContact O-N 3.22Å; S169-S171 PolarHBondContact OG-OG 2.98Å; S169-D172 PolarHBondContact N-OD2 3.31Å; S169-D172 PolarHBondContact O-N 2.91Å; S169-D172 PolarHBondContact OG-N 2.91Å; S169-D172 PolarHBondContact OG-OD1 3.36Å; S169-D172 PolarHBondContact OG-OD2 2.88Å; S169-R182 WeakPolarHBondContact O-CD 3.48Å
170D83.1Confident71.9Confident55 Ų5580 Ų8029%0.29447%0.465SS..THydrogen-bonded Turntrans-66-19.8175.8-73.4-37.1000113.3R155 D172 L183 H433R155-D170 IonicContact NH1-OD1 2.74Å; R155-D170 PolarHBondContact NH1-OD1 3.22Å; R155-D170 VanDerWaalsContact NH1-OD1 3.17Å; D170-D172 VanDerWaalsContact C-N 3.34Å; D170-L183 HydrophobicContact CB-CB 4.32Å; D170-L183 PolarHBondContact O-N 3.1Å; D170-H433 IonicContact OD2-CE1 3.33Å; D170-H433 PolarHBondContact OD2-CE1 2.83Å; D170-H433 IonicContact OD2-NE2 3.17Å; D170-H433 PolarHBondContact OD2-NE2 3.46Å; D170-H433 VanDerWaalsContact OD2-NE2 3.17Å
171S83.2Confident72.8Confident90 Ų9080 Ų8063%0.62946%0.464SS*.THydrogen-bonded Turntrans-79.4-11.4175.746.20000114.3S169S169-S171 PolarHBondContact O-N 3.22Å; S169-S171 PolarHBondContact OG-OG 2.98Å
172D83.6Confident73.9Confident33 Ų3378.2 Ų78.218%0.17646%0.456CS..SBendtrans-67143.6180-67.8-46.3000110.8R165 S169 D170 T181 R182R165-D172 IonicContact NH1-OD1 2.67Å; S169-D172 PolarHBondContact N-OD2 3.31Å; S169-D172 PolarHBondContact O-N 2.91Å; S169-D172 PolarHBondContact OG-N 2.91Å; S169-D172 PolarHBondContact OG-OD1 3.36Å; S169-D172 PolarHBondContact OG-OD2 2.88Å; D170-D172 VanDerWaalsContact C-N 3.34Å; D172-T181 CarbonylContact O-C 3.51Å; D172-T181 WeakPolarHBondContact O-CA 3.46Å; D172-R182 WeakPolarHBondContact O-CG 3.13Å; D172-R182 PolarHBondContact O-N 3.22Å
173L86.1Confident75.7Confident86 Ų8673.2 Ų73.245%0.4543%0.429SS..BIsolated β-bridgetrans-77.7141.5178.7-66.8172.7000111.2T181L173-T181 HydrophobicContact CD2-CG2 4.32Å
174C83.7Confident77.6Confident0 Ų071.7 Ų71.70%042%0.421CS..SBendtrans-81.4135.5169.6-69.70000111C159 G176 L180 V185C159-C174 HydrophobicContact CB-CB 4.01Å; C159-C174 WeakPolarHBondContact CB-SG 3.48Å; C159-C174 WeakPolarHBondContact SG-CA 3.05Å; C159-C174 WeakPolarHBondContact SG-CB 3.3Å; C159-C174 CovalentContact SG-SG 2.03Å; C159-C174 PolarHBondContact SG-SG 3.1Å; C174-G176 PolarHBondContact O-N 2.93Å; C174-G176 VanDerWaalsContact O-N 3.07Å; C174-L180 PolarHBondContact N-O 3.34Å; C174-V185 HydrophobicContact CB-CG2 4.05Å
175W82.7Confident79.6Confident106 Ų10667.5 Ų67.540%0.40239%0.391SS..THydrogen-bonded Turntrans62.17.8176.5-49.1-76.1000116.9I158 S160 S177 L178 V185I158-W175 HydrophobicContact CG2-CH2 3.85Å; I158-W175 HydrophobicContact CG2-CZ2 3.36Å; I158-W175 WeakPolarHBondContact O-CZ2 3.35Å; I158-W175 PolarHBondContact O-NE1 3.09Å; S160-W175 PolarHBondContact O-N 3.35Å; S160-W175 VanDerWaalsContact O-N 3.1Å; W175-S177 PolarHBondContact O-N 3.37Å; W175-S177 PolarHBondContact O-OG 2.83Å; W175-L178 HydrophobicContact CE3-CD1 4.3Å; W175-V185 HydrophobicContact CH2-CG2 4.44Å; W175-V185 HydrophobicContact CZ3-CG2 4.09Å
176G70.3Confident81.6Confident69 Ų6960.2 Ų60.271%0.71136%0.363SS*.THydrogen-bonded Turntrans62.8-19.3176.700000116.8C174C174-G176 PolarHBondContact O-N 2.93Å; C174-G176 VanDerWaalsContact O-N 3.07Å
177S70.6Confident83.6Confident99 Ų9958.8 Ų58.869%0.69235%0.348SS*.THydrogen-bonded Turntrans-106.4-26.5-170.8490000113.4W175W175-S177 PolarHBondContact O-N 3.37Å; W175-S177 PolarHBondContact O-OG 2.83Å
178L73.6Confident85.3Confident87 Ų8758.2 Ų58.246%0.45534%0.337SS..SBendtrans-96.1146.6174-75.297.9000110.8W175 L180W175-L178 HydrophobicContact CE3-CD1 4.3Å; L178-L180 HydrophobicContact CD2-CD1 4.18Å; L178-L180 PolarHBondContact O-N 2.94Å
179S82.8Confident86.5Confident106 Ų10656.8 Ų56.874%0.74133%0.329SS*.SBendtrans-73.215.317564.30000114
180L89.5Confident87.5Confident54 Ų5454.8 Ų54.828%0.28332%0.315SS..  trans-90.8121.5-177-68.3175.7000110.2C174 L178 D184 V185 I188C174-L180 PolarHBondContact N-O 3.34Å; L178-L180 HydrophobicContact CD2-CD1 4.18Å; L178-L180 PolarHBondContact O-N 2.94Å; L180-D184 HydrophobicContact CD2-CB 4.19Å; L180-V185 HydrophobicContact CB-CG2 4.13Å; L180-I188 HydrophobicContact CD2-CD1 4.46Å
181T90.8Very high88.2Confident34 Ų3456.4 Ų56.421%0.20933%0.327CS..BIsolated β-bridgetrans-73.4161.1173.168.50000110.8D172 L173 L183 D184 V185D172-T181 CarbonylContact O-C 3.51Å; D172-T181 WeakPolarHBondContact O-CA 3.46Å; L173-T181 HydrophobicContact CD2-CG2 4.32Å; T181-L183 PolarHBondContact O-N 2.78Å; T181-D184 WeakPolarHBondContact CB-OD2 3.17Å; T181-D184 PolarHBondContact N-OD2 3.45Å; T181-D184 VanDerWaalsContact N-OD2 3.08Å; T181-D184 PolarHBondContact O-N 3.42Å; T181-D184 VanDerWaalsContact O-N 3.08Å; T181-D184 PolarHBondContact OG1-N 2.89Å; T181-D184 VanDerWaalsContact OG1-N 3.08Å; T181-D184 PolarHBondContact OG1-OD2 2.92Å; T181-V185 PolarHBondContact O-N 2.97Å
182R90.6Very high88.9Confident10 Ų1055.1 Ų55.14%0.03832%0.317CS..Hα-helixtrans-55.2-37.6171.2-77.9174.974.780.8-1.9112.1R155 N156 C159 L168 S169 D172 Y186R155-R182 WeakPolarHBondContact CD-O 3.42Å; N156-R182 PolarHBondContact OD1-NH2 2.83Å; C159-R182 VanDerWaalsContact SG-CG 3.57Å; C159-R182 PolarHBondContact SG-NH1 3.18Å; C159-R182 VanDerWaalsContact SG-NH1 3.38Å; L168-R182 VanDerWaalsContact CD2-CZ 3.49Å; S169-R182 WeakPolarHBondContact O-CD 3.48Å; D172-R182 WeakPolarHBondContact O-CG 3.13Å; D172-R182 PolarHBondContact O-N 3.22Å; R182-Y186 WeakPolarHBondContact O-CB 3.14Å; R182-Y186 PolarHBondContact O-N 3.14Å
183L93Very high89.5Confident40 Ų4054.3 Ų54.321%0.20931%0.312CS..Hα-helixtrans-67.7-38.9175.9-17260000112.3D170 T181 Y186 R187D170-L183 HydrophobicContact CB-CB 4.32Å; D170-L183 PolarHBondContact O-N 3.1Å; T181-L183 PolarHBondContact O-N 2.78Å; L183-Y186 HydrophobicContact CD1-CD1 4.23Å; L183-Y186 WeakPolarHBondContact O-CB 3.21Å; L183-Y186 PolarHBondContact O-N 3.45Å; L183-R187 WeakPolarHBondContact O-CG 3.48Å; L183-R187 PolarHBondContact O-N 3.18Å
184D93.8Very high90Very high56 Ų5650.4 Ų50.430%0.29929%0.292SS..Hα-helixtrans-64.7-46.2176.7-60.9-40.5000111.1L180 T181 Y186 R187 I188L180-D184 HydrophobicContact CD2-CB 4.19Å; T181-D184 WeakPolarHBondContact CB-OD2 3.17Å; T181-D184 PolarHBondContact N-OD2 3.45Å; T181-D184 VanDerWaalsContact N-OD2 3.08Å; T181-D184 PolarHBondContact O-N 3.42Å; T181-D184 VanDerWaalsContact O-N 3.08Å; T181-D184 PolarHBondContact OG1-N 2.89Å; T181-D184 VanDerWaalsContact OG1-N 3.08Å; T181-D184 PolarHBondContact OG1-OD2 2.92Å; D184-Y186 VanDerWaalsContact C-N 3.3Å; D184-Y186 PolarHBondContact O-N 3.37Å; D184-R187 PolarHBondContact O-N 3.34Å; D184-I188 VanDerWaalsContact O-CG1 3.29Å; D184-I188 WeakPolarHBondContact O-CG1 3.28Å; D184-I188 PolarHBondContact O-N 2.84Å
185V94.3Very high90.6Very high10 Ų1053.5 Ų53.56%0.06132%0.318CS..Hα-helixtrans-59.5-43.1175.8175.60000110.7R155 C174 W175 L180 T181 I188 L189R155-V185 HydrophobicContact CG-CB 4.43Å; R155-V185 HydrophobicContact CG-CG1 4.13Å; C174-V185 HydrophobicContact CB-CG2 4.05Å; W175-V185 HydrophobicContact CH2-CG2 4.44Å; W175-V185 HydrophobicContact CZ3-CG2 4.09Å; L180-V185 HydrophobicContact CB-CG2 4.13Å; T181-V185 PolarHBondContact O-N 2.97Å; V185-I188 PolarHBondContact O-N 3.43Å; V185-L189 HydrophobicContact CG1-CD1 4.06Å; V185-L189 HydrophobicContact CG1-CG 4.43Å; V185-L189 WeakPolarHBondContact O-CB 3.18Å; V185-L189 VanDerWaalsContact O-CG 3.26Å; V185-L189 WeakPolarHBondContact O-CG 3.17Å; V185-L189 PolarHBondContact O-N 3.26Å
186Y96Very high91.1Very high1 Ų152.6 Ų52.60%0.00433%0.327CS..Hα-helixtrans-56.6-51.3174169.4-102.7000112.3S148 P151 K152 R182 L183 D184 I188 L189 V190 S429 H433S148-Y186 WeakPolarHBondContact CA-OH 3.17Å; P151-Y186 HydrophobicContact CB-CD2 3.92Å; P151-Y186 HydrophobicContact CB-CE2 3.85Å; K152-Y186 HydrophobicContact CB-CD2 4.28Å; K152-Y186 HydrophobicContact CB-CE2 4.01Å; R182-Y186 WeakPolarHBondContact O-CB 3.14Å; R182-Y186 PolarHBondContact O-N 3.14Å; L183-Y186 HydrophobicContact CD1-CD1 4.23Å; L183-Y186 WeakPolarHBondContact O-CB 3.21Å; L183-Y186 PolarHBondContact O-N 3.45Å; D184-Y186 VanDerWaalsContact C-N 3.3Å; D184-Y186 PolarHBondContact O-N 3.37Å; Y186-I188 PolarHBondContact O-N 3.12Å; Y186-L189 CarbonylContact O-C 3.42Å; Y186-L189 WeakPolarHBondContact O-CB 3.34Å; Y186-L189 PolarHBondContact O-N 3.19Å; Y186-L189 VanDerWaalsContact O-N 3.1Å; Y186-V190 HydrophobicContact CD1-CG2 4.29Å; Y186-V190 HydrophobicContact CD2-CG2 4.4Å; Y186-V190 HydrophobicContact CE1-CG2 3.81Å; Y186-V190 HydrophobicContact CE2-CG2 3.96Å; Y186-V190 WeakPolarHBondContact O-CG2 3.28Å; Y186-V190 PolarHBondContact O-N 3.09Å; Y186-S429 VanDerWaalsContact CE1-O 3.27Å; Y186-S429 WeakPolarHBondContact CE1-O 3.09Å; Y186-S429 PolarHBondContact OH-O 2.97Å; Y186-H433 HydrophobicContact CD1-CB 4.19Å; Y186-H433 HydrophobicContact CE1-CB 3.57Å; Y186-H433 HydrophobicContact CE2-CB 4.07Å; Y186-H433 VanDerWaalsContact CZ-CB 3.49Å
187R96.8Very high92.1Very high103 Ų10349.4 Ų49.439%0.38929%0.293SS..Hα-helixtrans-62.8-40.8-178.3-73.3172.6171.4166.1-0.2112.2L183 D184 L189 V190 V191 L430L183-R187 WeakPolarHBondContact O-CG 3.48Å; L183-R187 PolarHBondContact O-N 3.18Å; D184-R187 PolarHBondContact O-N 3.34Å; R187-L189 VanDerWaalsContact C-N 3.31Å; R187-L189 PolarHBondContact O-N 2.89Å; R187-V190 PolarHBondContact O-N 3.31Å; R187-V191 PolarHBondContact O-N 3.16Å; R187-V191 VanDerWaalsContact O-N 3.14Å; R187-L430 HydrophobicContact CB-CD2 3.97Å; R187-L430 HydrophobicContact CG-CD2 4.08Å; R187-L430 PolarHBondContact NE-O 2.94Å
188I96.6Very high93.1Very high83 Ų8345.8 Ų45.843%0.42627%0.268SS..Hα-helixtrans-58.7-45.7173.2-67.8165.4000109.9L180 D184 V185 Y186 V190 V191 C192L180-I188 HydrophobicContact CD2-CD1 4.46Å; D184-I188 VanDerWaalsContact O-CG1 3.29Å; D184-I188 WeakPolarHBondContact O-CG1 3.28Å; D184-I188 PolarHBondContact O-N 2.84Å; V185-I188 PolarHBondContact O-N 3.43Å; Y186-I188 PolarHBondContact O-N 3.12Å; I188-V190 VanDerWaalsContact C-N 3.35Å; I188-V190 PolarHBondContact O-N 3.36Å; I188-V191 PolarHBondContact O-N 3.27Å; I188-C192 PolarHBondContact O-N 3.5Å; I188-C192 PolarHBondContact O-SG 3.41Å
189L97.4Very high94Very high27 Ų2744.5 Ų44.514%0.14127%0.265CS..Hα-helixtrans-66-32.8178.6-70.3175.7000113.2P151 L154 R155 V185 Y186 R187 C192 F193P151-L189 HydrophobicContact CB-CB 3.76Å; L154-L189 HydrophobicContact CB-CD1 4.13Å; L154-L189 HydrophobicContact CD2-CD1 4.27Å; L154-L189 HydrophobicContact CD2-CD2 3.79Å; L154-L189 HydrophobicContact CG-CD1 4.04Å; L154-L189 HydrophobicContact CG-CD2 4.33Å; R155-L189 HydrophobicContact CB-CD1 4Å; V185-L189 HydrophobicContact CG1-CD1 4.06Å; V185-L189 HydrophobicContact CG1-CG 4.43Å; V185-L189 WeakPolarHBondContact O-CB 3.18Å; V185-L189 VanDerWaalsContact O-CG 3.26Å; V185-L189 WeakPolarHBondContact O-CG 3.17Å; V185-L189 PolarHBondContact O-N 3.26Å; Y186-L189 CarbonylContact O-C 3.42Å; Y186-L189 WeakPolarHBondContact O-CB 3.34Å; Y186-L189 PolarHBondContact O-N 3.19Å; Y186-L189 VanDerWaalsContact O-N 3.1Å; R187-L189 VanDerWaalsContact C-N 3.31Å; R187-L189 PolarHBondContact O-N 2.89Å; L189-C192 PolarHBondContact O-N 2.91Å; L189-F193 WeakPolarHBondContact O-CB 3.43Å; L189-F193 PolarHBondContact O-N 3.38Å
190V98.2Very high94.3Very high1 Ų144 Ų441%0.00625%0.25CC..Hα-helixtrans-61.6-46.3171.9174.40000110.6P151 Y186 R187 I188 F193 G194 L426 L430P151-V190 HydrophobicContact CB-CG2 3.77Å; P151-V190 HydrophobicContact CG-CB 4.27Å; P151-V190 HydrophobicContact CG-CG2 3.72Å; Y186-V190 HydrophobicContact CD1-CG2 4.29Å; Y186-V190 HydrophobicContact CD2-CG2 4.4Å; Y186-V190 HydrophobicContact CE1-CG2 3.81Å; Y186-V190 HydrophobicContact CE2-CG2 3.96Å; Y186-V190 WeakPolarHBondContact O-CG2 3.28Å; Y186-V190 PolarHBondContact O-N 3.09Å; R187-V190 PolarHBondContact O-N 3.31Å; I188-V190 VanDerWaalsContact C-N 3.35Å; I188-V190 PolarHBondContact O-N 3.36Å; V190-F193 PolarHBondContact O-N 3.07Å; V190-G194 PolarHBondContact O-N 3.18Å; V190-L426 HydrophobicContact CG1-CD2 4.02Å; V190-L430 HydrophobicContact CB-CD2 3.89Å; V190-L430 HydrophobicContact CG1-CD2 3.85Å; V190-L430 HydrophobicContact CG1-CG 3.97Å
191V97.9Very high94.2Very high89 Ų8941.6 Ų41.654%0.53924%0.237SC..Hα-helixtrans-64.5-45.4177.91770000111R187 I188 F193 G194 A195 L430R187-V191 PolarHBondContact O-N 3.16Å; R187-V191 VanDerWaalsContact O-N 3.14Å; I188-V191 PolarHBondContact O-N 3.27Å; V191-F193 PolarHBondContact O-N 3.42Å; V191-G194 PolarHBondContact O-N 3.25Å; V191-A195 PolarHBondContact O-N 3.49Å; V191-L430 HydrophobicContact CG2-CD2 4.27Å
192C97.7Very high94.1Very high63 Ų6343.5 Ų43.543%0.42624%0.242SC..Hα-helixtrans-59.6-45.2175.8-69.60000111.8I188 L189 G194 A195 C196I188-C192 PolarHBondContact O-N 3.5Å; I188-C192 PolarHBondContact O-SG 3.41Å; L189-C192 PolarHBondContact O-N 2.91Å; C192-G194 PolarHBondContact O-N 3.12Å; C192-A195 PolarHBondContact O-N 3.47Å; C192-C196 PolarHBondContact O-N 3.32Å; C192-C196 PolarHBondContact O-SG 3.26Å
193F97.3Very high93.9Very high17 Ų1750.8 Ų50.88%0.07528%0.275CS..Hα-helixtrans-59.3-47.1176.2174.3-102.6000111.5V150 P151 L189 V190 V191 A195 C196 V197 T380 F383 L426V150-F193 HydrophobicContact CB-CD2 4.21Å; V150-F193 HydrophobicContact CB-CE2 4.06Å; V150-F193 HydrophobicContact CB-CZ 4.49Å; V150-F193 HydrophobicContact CG1-CD2 3.67Å; V150-F193 HydrophobicContact CG1-CE2 3.81Å; V150-F193 HydrophobicContact CG1-CG 4.44Å; V150-F193 HydrophobicContact CG2-CE2 4.13Å; V150-F193 HydrophobicContact CG2-CZ 4.4Å; P151-F193 HydrophobicContact CG-CB 4.19Å; L189-F193 WeakPolarHBondContact O-CB 3.43Å; L189-F193 PolarHBondContact O-N 3.38Å; V190-F193 PolarHBondContact O-N 3.07Å; V191-F193 PolarHBondContact O-N 3.42Å; F193-A195 VanDerWaalsContact C-N 3.35Å; F193-A195 PolarHBondContact O-N 2.96Å; F193-C196 PolarHBondContact O-N 2.95Å; F193-V197 HydrophobicContact CD2-CG2 4.04Å; F193-V197 HydrophobicContact CE1-CG2 4.25Å; F193-V197 HydrophobicContact CE2-CG2 3.64Å; F193-V197 HydrophobicContact CZ-CG2 3.76Å; F193-V197 WeakPolarHBondContact O-CG2 3.43Å; F193-V197 PolarHBondContact O-N 2.9Å; F193-T380 HydrophobicContact CE2-CG2 4.08Å; F193-F383 AromaticContact CE1-CD2 3.66Å; F193-F383 HydrophobicContact CE1-CD2 3.66Å; F193-F383 AromaticContact CE1-CE2 3.71Å; F193-F383 HydrophobicContact CE1-CE2 3.71Å; F193-F383 HydrophobicContact CE1-CG 4.28Å; F193-F383 HydrophobicContact CE1-CZ 4.33Å; F193-F383 HydrophobicContact CZ-CB 4.2Å; F193-F383 AromaticContact CZ-CD2 3.66Å; F193-F383 HydrophobicContact CZ-CD2 3.66Å; F193-F383 HydrophobicContact CZ-CE2 4.2Å; F193-F383 AromaticContact CZ-CG 3.98Å; F193-F383 HydrophobicContact CZ-CG 3.98Å; F193-L426 HydrophobicContact CD1-CD2 4.32Å
194G96.1Very high93.1Very high3 Ų352.5 Ų52.53%0.03128%0.284CS..Hα-helixtrans-57.2-45.8175.200000112.9V190 V191 C192 C196 V197 C198V190-G194 PolarHBondContact O-N 3.18Å; V191-G194 PolarHBondContact O-N 3.25Å; C192-G194 PolarHBondContact O-N 3.12Å; G194-C196 PolarHBondContact O-N 2.93Å; G194-V197 PolarHBondContact O-N 3.32Å; G194-C198 VanDerWaalsContact O-CB 3.28Å; G194-C198 WeakPolarHBondContact O-CB 3.34Å; G194-C198 PolarHBondContact O-N 3.48Å
195A95.9Very high91.9Very high65 Ų6552.5 Ų52.554%0.53729%0.286SS..Hα-helixtrans-63-40.5176.900000112.5V191 C192 F193 P199V191-A195 PolarHBondContact O-N 3.49Å; C192-A195 PolarHBondContact O-N 3.47Å; F193-A195 VanDerWaalsContact C-N 3.35Å; F193-A195 PolarHBondContact O-N 2.96Å; A195-P199 VanDerWaalsContact O-CD 3.28Å; A195-P199 WeakPolarHBondContact O-CD 3.4Å
196C93.4Very high90.4Very high87 Ų8756.7 Ų56.759%0.58831%0.307SS*.Hα-helixtrans-68.2-36.9177.6-70.60000113.1C192 F193 G194 F200C192-C196 PolarHBondContact O-N 3.32Å; C192-C196 PolarHBondContact O-SG 3.26Å; F193-C196 PolarHBondContact O-N 2.95Å; G194-C196 PolarHBondContact O-N 2.93Å; C196-F200 WeakPolarHBondContact O-CD2 3.07Å; C196-F200 WeakPolarHBondContact O-CE2 3.32Å
197V92.2Very high88.6Confident2 Ų266.4 Ų66.41%0.01234%0.343CS..Hα-helixtrans-85.8-25.4-176-179.90000112.6F193 G194 F200 F383 P384F193-V197 HydrophobicContact CD2-CG2 4.04Å; F193-V197 HydrophobicContact CE1-CG2 4.25Å; F193-V197 HydrophobicContact CE2-CG2 3.64Å; F193-V197 HydrophobicContact CZ-CG2 3.76Å; F193-V197 WeakPolarHBondContact O-CG2 3.43Å; F193-V197 PolarHBondContact O-N 2.9Å; G194-V197 PolarHBondContact O-N 3.32Å; V197-F200 WeakPolarHBondContact O-CB 3.24Å; V197-F200 PolarHBondContact O-N 2.79Å; V197-F383 HydrophobicContact CB-CD1 4.39Å; V197-F383 HydrophobicContact CG1-CD1 3.32Å; V197-F383 HydrophobicContact CG1-CE1 3.71Å; V197-F383 HydrophobicContact CG1-CG 4.15Å; V197-P384 HydrophobicContact CG1-CG 4.14Å
198C91.8Very high87.1Confident24 Ų2462.9 Ų62.916%0.16234%0.335CS..Hα-helixtrans-48.4-50-179.5-179.70000114.2G194 F200 L201 F202 L422G194-C198 VanDerWaalsContact O-CB 3.28Å; G194-C198 WeakPolarHBondContact O-CB 3.34Å; G194-C198 PolarHBondContact O-N 3.48Å; C198-F200 VanDerWaalsContact C-N 3.25Å; C198-F200 PolarHBondContact O-N 3.21Å; C198-L201 PolarHBondContact O-N 3.44Å; C198-L201 VanDerWaalsContact O-N 3.12Å; C198-F202 WeakPolarHBondContact O-CD2 3.48Å; C198-F202 PolarHBondContact O-N 3.49Å; C198-L422 HydrophobicContact CB-CD2 3.52Å
199P91.7Very high85.9Confident59 Ų5967.7 Ų67.738%0.38335%0.348SS..Hα-helixtrans-56.8-36.5178.6-25.735000113.6A195 L201 F202 F203A195-P199 VanDerWaalsContact O-CD 3.28Å; A195-P199 WeakPolarHBondContact O-CD 3.4Å; P199-L201 VanDerWaalsContact C-N 3.27Å; P199-L201 PolarHBondContact O-N 3.39Å; P199-F202 PolarHBondContact O-N 3.18Å; P199-F202 VanDerWaalsContact O-N 3.13Å; P199-F203 HydrophobicContact CB-CD2 4.35Å; P199-F203 HydrophobicContact CB-CE2 4.27Å; P199-F203 WeakPolarHBondContact O-CD2 3.48Å; P199-F203 PolarHBondContact O-N 3.42Å
200F89.8Confident84.8Confident97 Ų9776.8 Ų76.843%0.42538%0.38SS..Hα-helixtrans-65.7-29.9-178.4-65-87.3000113C196 V197 C198 N204 V205 P384C196-F200 WeakPolarHBondContact O-CD2 3.07Å; C196-F200 WeakPolarHBondContact O-CE2 3.32Å; V197-F200 WeakPolarHBondContact O-CB 3.24Å; V197-F200 PolarHBondContact O-N 2.79Å; C198-F200 VanDerWaalsContact C-N 3.25Å; C198-F200 PolarHBondContact O-N 3.21Å; F200-N204 PolarHBondContact O-N 3.12Å; F200-V205 HydrophobicContact CD1-CB 4.19Å; F200-V205 HydrophobicContact CD1-CG1 4.45Å; F200-V205 HydrophobicContact CD1-CG2 4.03Å; F200-V205 PolarHBondContact O-N 3.31Å; F200-P384 HydrophobicContact CB-CB 3.95Å; F200-P384 HydrophobicContact CB-CG 3.93Å; F200-P384 HydrophobicContact CG-CG 4.3Å
201L88Confident83.5Confident2 Ų280.5 Ų80.51%0.0140%0.4CS..Hα-helixtrans-71.5-35.8174.5-62.8178.8000111.6C198 P199 N204 T388 P418 V421 L422C198-L201 PolarHBondContact O-N 3.44Å; C198-L201 VanDerWaalsContact O-N 3.12Å; P199-L201 VanDerWaalsContact C-N 3.27Å; P199-L201 PolarHBondContact O-N 3.39Å; L201-N204 PolarHBondContact O-OD1 2.85Å; L201-T388 HydrophobicContact CD2-CG2 4.5Å; L201-P418 HydrophobicContact CB-CB 4.23Å; L201-V421 HydrophobicContact CD1-CG1 4.31Å; L201-L422 HydrophobicContact CD1-CB 3.87Å; L201-L422 HydrophobicContact CD1-CD1 4Å; L201-L422 HydrophobicContact CD1-CG 4.33Å
202F88.6Confident82.2Confident74 Ų7480.2 Ų80.233%0.32539%0.392SS..Hα-helixtrans-69.1-39.9175.1-82-80.8000112.8C198 P199 N204 P418 F419C198-F202 WeakPolarHBondContact O-CD2 3.48Å; C198-F202 PolarHBondContact O-N 3.49Å; P199-F202 PolarHBondContact O-N 3.18Å; P199-F202 VanDerWaalsContact O-N 3.13Å; F202-N204 VanDerWaalsContact C-N 3.27Å; F202-N204 PolarHBondContact O-N 2.99Å; F202-P418 HydrophobicContact CD1-CB 4.35Å; F202-P418 HydrophobicContact CD1-CG 4Å; F202-P418 HydrophobicContact CD2-CB 4.13Å; F202-P418 HydrophobicContact CE1-CB 4.05Å; F202-P418 HydrophobicContact CE1-CG 3.82Å; F202-P418 HydrophobicContact CE2-CB 3.8Å; F202-P418 HydrophobicContact CE2-CG 4.45Å; F202-P418 HydrophobicContact CG-CB 4.38Å; F202-P418 HydrophobicContact CG-CG 4.39Å; F202-P418 HydrophobicContact CZ-CB 3.75Å; F202-P418 HydrophobicContact CZ-CG 4.05Å; F202-F419 HydrophobicContact CE2-CE1 4.43Å; F202-F419 HydrophobicContact CE2-CE2 4.12Å; F202-F419 AromaticContact CE2-CZ 3.99Å; F202-F419 HydrophobicContact CE2-CZ 3.99Å; F202-F419 AromaticContact CZ-CD2 3.96Å; F202-F419 HydrophobicContact CZ-CD2 3.96Å; F202-F419 AromaticContact CZ-CE2 3.48Å; F202-F419 HydrophobicContact CZ-CE2 3.48Å; F202-F419 VanDerWaalsContact CZ-CE2 3.48Å; F202-F419 AromaticContact CZ-CZ 3.81Å; F202-F419 HydrophobicContact CZ-CZ 3.81Å
203F85.1Confident81.3Confident164 Ų16482 Ų8272%0.71940%0.397SS*.THydrogen-bonded Turntrans-82.2-0-179.2-68-65.3000114.1P199 V205P199-F203 HydrophobicContact CB-CD2 4.35Å; P199-F203 HydrophobicContact CB-CE2 4.27Å; P199-F203 WeakPolarHBondContact O-CD2 3.48Å; P199-F203 PolarHBondContact O-N 3.42Å; F203-V205 VanDerWaalsContact C-N 3.25Å; F203-V205 HydrophobicContact CB-CG2 3.74Å; F203-V205 PolarHBondContact O-N 2.96Å
204N75.5Confident80.7Confident75 Ų7585.9 Ų85.940%0.40142%0.418SS..THydrogen-bonded Turntrans46.548.7-176.4-72.2-41.8000112.4F200 L201 F202 I206F200-N204 PolarHBondContact O-N 3.12Å; L201-N204 PolarHBondContact O-OD1 2.85Å; F202-N204 VanDerWaalsContact C-N 3.27Å; F202-N204 PolarHBondContact O-N 2.99Å; N204-I206 VanDerWaalsContact C-N 3.31Å; N204-I206 WeakPolarHBondContact O-CG1 3.27Å; N204-I206 PolarHBondContact O-N 2.89Å
205V68.6Low80Confident56 Ų5686.2 Ų86.234%0.33942%0.419SS..  trans-72.887-177.3-174.90000109.5F200 F203F200-V205 HydrophobicContact CD1-CB 4.19Å; F200-V205 HydrophobicContact CD1-CG1 4.45Å; F200-V205 HydrophobicContact CD1-CG2 4.03Å; F200-V205 PolarHBondContact O-N 3.31Å; F203-V205 VanDerWaalsContact C-N 3.25Å; F203-V205 HydrophobicContact CB-CG2 3.74Å; F203-V205 PolarHBondContact O-N 2.96Å
206I62.8Low79.4Confident98 Ų9884.6 Ų84.650%0.50340%0.403SS..  trans-88.5-28.6-176.6-66159.7000112N204N204-I206 VanDerWaalsContact C-N 3.31Å; N204-I206 WeakPolarHBondContact O-CG1 3.27Å; N204-I206 PolarHBondContact O-N 2.89Å
207R59.1Low79.1Confident205 Ų20583.4 Ų83.477%0.77440%0.395SS*.  trans-117.474.9-163.8-66.8-173178.71771.8113.4
208S66Low79Confident29 Ų2985 Ų8520%0.20340%0.403CS..  trans-99.964.8162.862.40000109.8W210 L211 Q212S208-W210 PolarHBondContact O-N 3.31Å; S208-W210 VanDerWaalsContact O-N 3.13Å; S208-L211 VanDerWaalsContact CB-CB 3.5Å; S208-L211 WeakPolarHBondContact O-CA 3.36Å; S208-L211 WeakPolarHBondContact O-CB 3.29Å; S208-L211 PolarHBondContact O-N 3.44Å; S208-L211 WeakPolarHBondContact OG-CB 3.46Å; S208-Q212 PolarHBondContact O-N 3.24Å
209R70Confident78.9Confident185 Ų18585 Ų8570%0.69840%0.4SS*.Hα-helixtrans-49.1-42.7-179.5-73-176.6176.6174.3-1.3112.3L213R209-L213 PolarHBondContact O-N 2.82Å
210W75.1Confident78.8Confident217 Ų21786.6 Ų86.682%0.82240%0.398SS*.Hα-helixtrans-65.5-37.8176.9-67.7111.4000113.3S208 L213 L214S208-W210 PolarHBondContact O-N 3.31Å; S208-W210 VanDerWaalsContact O-N 3.13Å; W210-L213 PolarHBondContact O-N 3.43Å; W210-L214 VanDerWaalsContact O-CB 3.28Å; W210-L214 WeakPolarHBondContact O-CB 3.31Å; W210-L214 PolarHBondContact O-N 2.97Å
211L71.2Confident78.9Confident80 Ų8086 Ų8642%0.41940%0.399SS..Hα-helixtrans-75.5-34.5-178.2-144.5150.5000110.3S208 T215S208-L211 VanDerWaalsContact CB-CB 3.5Å; S208-L211 WeakPolarHBondContact O-CA 3.36Å; S208-L211 WeakPolarHBondContact O-CB 3.29Å; S208-L211 PolarHBondContact O-N 3.44Å; S208-L211 WeakPolarHBondContact OG-CB 3.46Å; L211-T215 HydrophobicContact CD2-CG2 4.28Å; L211-T215 WeakPolarHBondContact O-CB 3.31Å; L211-T215 WeakPolarHBondContact O-CG2 3.28Å; L211-T215 PolarHBondContact O-N 2.85Å; L211-T215 PolarHBondContact O-OG1 3.48Å
212Q70.4Confident79.2Confident82 Ų8286 Ų8638%0.38340%0.398SS..Hα-helixtrans-64.3-46.7168.3-69.7178.4-2.800111.7S208 L214 T215 V216 I385S208-Q212 PolarHBondContact O-N 3.24Å; Q212-L214 PolarHBondContact O-N 3.17Å; Q212-T215 WeakPolarHBondContact CA-OG1 3.47Å; Q212-T215 PolarHBondContact O-N 3.24Å; Q212-T215 PolarHBondContact O-OG1 3.21Å; Q212-V216 VanDerWaalsContact O-CG2 3.29Å; Q212-V216 WeakPolarHBondContact O-CG2 3.5Å; Q212-V216 PolarHBondContact O-N 3.28Å; Q212-I385 HydrophobicContact CG-CD1 4.17Å; Q212-I385 VanDerWaalsContact NE2-CD1 3.32Å
213L79.8Confident79.4Confident100 Ų10082.6 Ų82.652%0.52438%0.384SS..Hα-helixtrans-62.6-44.7177.8-175.963.2000111.6R209 W210 T215 V216 C217R209-L213 PolarHBondContact O-N 2.82Å; W210-L213 PolarHBondContact O-N 3.43Å; L213-T215 PolarHBondContact O-N 3.5Å; L213-V216 PolarHBondContact O-N 3.45Å; L213-C217 PolarHBondContact O-N 3.42Å; L213-C217 PolarHBondContact O-SG 2.88Å; L213-C217 VanDerWaalsContact O-SG 3.4Å
214L83.3Confident79.9Confident99 Ų9979.3 Ų79.352%0.51837%0.373SS..Hα-helixtrans-57.5-49.2175.4177.563.8000111W210 Q212 V216 C217 L218W210-L214 VanDerWaalsContact O-CB 3.28Å; W210-L214 WeakPolarHBondContact O-CB 3.31Å; W210-L214 PolarHBondContact O-N 2.97Å; Q212-L214 PolarHBondContact O-N 3.17Å; L214-V216 VanDerWaalsContact C-N 3.31Å; L214-V216 PolarHBondContact O-N 3.38Å; L214-C217 WeakPolarHBondContact O-CB 3.49Å; L214-C217 PolarHBondContact O-N 3.34Å; L214-C217 VanDerWaalsContact O-N 3.13Å; L214-L218 HydrophobicContact CD1-CD1 4.49Å; L214-L218 HydrophobicContact CD1-CG 4.32Å; L214-L218 HydrophobicContact CG-CD1 4.26Å; L214-L218 HydrophobicContact CG-CG 4.41Å; L214-L218 WeakPolarHBondContact O-CG 3.21Å; L214-L218 PolarHBondContact O-N 3.09Å
215T81.7Confident80.8Confident10 Ų1077.3 Ų77.36%0.06136%0.362CS..Hα-helixtrans-66.6-32.1-178.353.80000112.5L211 Q212 L213 L218 R219 S381L211-T215 HydrophobicContact CD2-CG2 4.28Å; L211-T215 WeakPolarHBondContact O-CB 3.31Å; L211-T215 WeakPolarHBondContact O-CG2 3.28Å; L211-T215 PolarHBondContact O-N 2.85Å; L211-T215 PolarHBondContact O-OG1 3.48Å; Q212-T215 WeakPolarHBondContact CA-OG1 3.47Å; Q212-T215 PolarHBondContact O-N 3.24Å; Q212-T215 PolarHBondContact O-OG1 3.21Å; L213-T215 PolarHBondContact O-N 3.5Å; T215-L218 PolarHBondContact O-N 2.93Å; T215-R219 WeakPolarHBondContact O-CB 3.38Å; T215-R219 WeakPolarHBondContact O-CG 3.45Å; T215-R219 PolarHBondContact O-N 2.87Å; T215-S381 VanDerWaalsContact CG2-OG 3.31Å; T215-S381 WeakPolarHBondContact CG2-OG 3.48Å
216V83.6Confident82.1Confident31 Ų3174.7 Ų74.719%0.18835%0.346CS..Hα-helixtrans-62.4-47.11701690000111N23 Q212 L213 L214 L218 R219 W220N23-V216 WeakPolarHBondContact ND2-CG1 3.25Å; N23-V216 VanDerWaalsContact ND2-CG2 3.29Å; N23-V216 WeakPolarHBondContact ND2-CG2 3.23Å; Q212-V216 VanDerWaalsContact O-CG2 3.29Å; Q212-V216 WeakPolarHBondContact O-CG2 3.5Å; Q212-V216 PolarHBondContact O-N 3.28Å; L213-V216 PolarHBondContact O-N 3.45Å; L214-V216 VanDerWaalsContact C-N 3.31Å; L214-V216 PolarHBondContact O-N 3.38Å; V216-L218 PolarHBondContact O-N 3.47Å; V216-R219 WeakPolarHBondContact O-CB 3.28Å; V216-R219 PolarHBondContact O-N 2.92Å; V216-W220 VanDerWaalsContact O-CD1 3.25Å; V216-W220 PolarHBondContact O-N 2.84Å; V216-W220 VanDerWaalsContact O-N 3.08Å
217C87.2Confident83.7Confident63 Ų6371.8 Ų71.843%0.42633%0.331SS..Hα-helixtrans-60.5-45.5176.1-65.60000111.6L213 L214 R219 W220 I221L213-C217 PolarHBondContact O-N 3.42Å; L213-C217 PolarHBondContact O-SG 2.88Å; L213-C217 VanDerWaalsContact O-SG 3.4Å; L214-C217 WeakPolarHBondContact O-CB 3.49Å; L214-C217 PolarHBondContact O-N 3.34Å; L214-C217 VanDerWaalsContact O-N 3.13Å; C217-R219 VanDerWaalsContact C-N 3.32Å; C217-R219 PolarHBondContact O-N 2.85Å; C217-W220 PolarHBondContact O-N 3.49Å; C217-I221 WeakPolarHBondContact O-CG1 3.46Å; C217-I221 PolarHBondContact O-N 3.09Å
218L89.1Confident85.4Confident35 Ų3564.4 Ų64.418%0.18331%0.311CS..Hα-helixtrans-62.9-36.4177.2-64.4-175.1000112.4L214 T215 V216 I221 G222 F370 F377L214-L218 HydrophobicContact CD1-CD1 4.49Å; L214-L218 HydrophobicContact CD1-CG 4.32Å; L214-L218 HydrophobicContact CG-CD1 4.26Å; L214-L218 HydrophobicContact CG-CG 4.41Å; L214-L218 WeakPolarHBondContact O-CG 3.21Å; L214-L218 PolarHBondContact O-N 3.09Å; T215-L218 PolarHBondContact O-N 2.93Å; V216-L218 PolarHBondContact O-N 3.47Å; L218-I221 PolarHBondContact O-N 3.06Å; L218-G222 PolarHBondContact O-N 3.31Å; L218-F370 HydrophobicContact CB-CZ 4.5Å; L218-F370 HydrophobicContact CD2-CE2 3.87Å; L218-F370 HydrophobicContact CD2-CZ 4.21Å; L218-F377 HydrophobicContact CD1-CB 4.26Å
219R89.4Confident86.7Confident24 Ų2463 Ų639%0.09130%0.301CS..Hα-helixtrans-58.7-52.3173.2-79.9175.2-176.2-160.15.7111.1N23 T215 V216 C217 I221 G222 F223 F374N23-R219 PolarHBondContact O-NH1 3.42Å; T215-R219 WeakPolarHBondContact O-CB 3.38Å; T215-R219 WeakPolarHBondContact O-CG 3.45Å; T215-R219 PolarHBondContact O-N 2.87Å; V216-R219 WeakPolarHBondContact O-CB 3.28Å; V216-R219 PolarHBondContact O-N 2.92Å; C217-R219 VanDerWaalsContact C-N 3.32Å; C217-R219 PolarHBondContact O-N 2.85Å; R219-I221 PolarHBondContact O-N 3.17Å; R219-G222 PolarHBondContact O-N 3.04Å; R219-F223 HydrophobicContact CB-CD2 4.28Å; R219-F223 HydrophobicContact CB-CE2 3.84Å; R219-F223 HydrophobicContact CG-CE2 4.4Å; R219-F223 WeakPolarHBondContact O-CB 3.36Å; R219-F223 WeakPolarHBondContact O-CD2 3.42Å; R219-F223 WeakPolarHBondContact O-CG 3.5Å; R219-F223 PolarHBondContact O-N 3.03Å; R219-F374 VanDerWaalsContact CA-CE2 3.43Å; R219-F374 HydrophobicContact CB-CE2 4.05Å; R219-F374 HydrophobicContact CB-CZ 4.28Å; R219-F374 HydrophobicContact CG-CE2 3.52Å; R219-F374 HydrophobicContact CG-CZ 3.64Å
220W90.5Very high87.9Confident92 Ų9254.2 Ų54.235%0.34827%0.268SS..Hα-helixtrans-61.8-43.7179.7-80.2103.6000112.5F22 V216 C217 F223 I224F22-W220 HydrophobicContact CD1-CH2 4.03Å; F22-W220 AromaticContact CD1-CZ2 3.46Å; F22-W220 HydrophobicContact CD1-CZ2 3.46Å; F22-W220 VanDerWaalsContact CD1-CZ2 3.46Å; F22-W220 AromaticContact CE1-CE2 3.91Å; F22-W220 AromaticContact CE1-CH2 3.36Å; F22-W220 HydrophobicContact CE1-CH2 3.36Å; F22-W220 AromaticContact CE1-CZ2 3.14Å; F22-W220 HydrophobicContact CE1-CZ2 3.14Å; F22-W220 HydrophobicContact CE1-CZ3 4.26Å; F22-W220 HydrophobicContact CE2-CH2 4.34Å; F22-W220 HydrophobicContact CG-CZ2 4.36Å; F22-W220 AromaticContact CZ-CH2 3.53Å; F22-W220 HydrophobicContact CZ-CH2 3.53Å; F22-W220 AromaticContact CZ-CZ2 3.84Å; F22-W220 HydrophobicContact CZ-CZ2 3.84Å; F22-W220 HydrophobicContact CZ-CZ3 4.32Å; V216-W220 VanDerWaalsContact O-CD1 3.25Å; V216-W220 PolarHBondContact O-N 2.84Å; V216-W220 VanDerWaalsContact O-N 3.08Å; C217-W220 PolarHBondContact O-N 3.49Å; W220-F223 PolarHBondContact O-N 3.04Å; W220-I224 WeakPolarHBondContact O-CB 3.27Å; W220-I224 WeakPolarHBondContact O-CD1 3.3Å; W220-I224 VanDerWaalsContact O-CG1 3.23Å; W220-I224 WeakPolarHBondContact O-CG1 3.15Å; W220-I224 PolarHBondContact O-N 3.49Å
221I92.9Very high88.8Confident86 Ų8647 Ų4744%0.44125%0.245SC..Hα-helixtrans-60.7-48.1175.1-65.9167.5000110.3C217 L218 R219 F223 I224 L225 F370C217-I221 WeakPolarHBondContact O-CG1 3.46Å; C217-I221 PolarHBondContact O-N 3.09Å; L218-I221 PolarHBondContact O-N 3.06Å; R219-I221 PolarHBondContact O-N 3.17Å; I221-F223 PolarHBondContact O-N 3.07Å; I221-I224 PolarHBondContact O-N 3.33Å; I221-L225 HydrophobicContact CG2-CD1 3.76Å; I221-L225 HydrophobicContact CG2-CG 4.35Å; I221-L225 WeakPolarHBondContact O-CB 3.31Å; I221-L225 VanDerWaalsContact O-CG 3.29Å; I221-L225 WeakPolarHBondContact O-CG 3.22Å; I221-L225 PolarHBondContact O-N 3.3Å; I221-F370 HydrophobicContact CB-CE1 4.47Å; I221-F370 HydrophobicContact CB-CZ 4.34Å; I221-F370 HydrophobicContact CG2-CE1 3.77Å; I221-F370 HydrophobicContact CG2-CZ 3.97Å
222G93.8Very high89.7Confident0 Ų044.8 Ų44.80%023%0.232CC..Hα-helixtrans-59.4-44.7178.500000112.8L218 R219 L225 M226L218-G222 PolarHBondContact O-N 3.31Å; R219-G222 PolarHBondContact O-N 3.04Å; G222-L225 PolarHBondContact O-N 3.32Å; G222-M226 WeakPolarHBondContact O-CB 3.42Å; G222-M226 VanDerWaalsContact O-CG 3.32Å; G222-M226 WeakPolarHBondContact O-CG 3.18Å; G222-M226 PolarHBondContact O-N 2.83Å
223F93.4Very high90.6Very high4 Ų441.3 Ų41.32%0.01822%0.216CC..Hα-helixtrans-64.8-44.6177.7-66.1-40.9000113V26 V30 L31 R219 W220 I221 L225 M226 L227 F324V26-F223 HydrophobicContact CG1-CE1 4.49Å; V26-F223 HydrophobicContact CG1-CE2 3.73Å; V26-F223 HydrophobicContact CG1-CZ 3.64Å; V30-F223 HydrophobicContact CG1-CE1 3.61Å; V30-F223 HydrophobicContact CG1-CZ 3.69Å; L31-F223 HydrophobicContact CD2-CE1 3.99Å; R219-F223 HydrophobicContact CB-CD2 4.28Å; R219-F223 HydrophobicContact CB-CE2 3.84Å; R219-F223 HydrophobicContact CG-CE2 4.4Å; R219-F223 WeakPolarHBondContact O-CB 3.36Å; R219-F223 WeakPolarHBondContact O-CD2 3.42Å; R219-F223 WeakPolarHBondContact O-CG 3.5Å; R219-F223 PolarHBondContact O-N 3.03Å; W220-F223 PolarHBondContact O-N 3.04Å; I221-F223 PolarHBondContact O-N 3.07Å; F223-L225 VanDerWaalsContact C-N 3.33Å; F223-L225 PolarHBondContact O-N 3.49Å; F223-M226 HydrophobicContact CD1-CE 3.4Å; F223-M226 VanDerWaalsContact CD1-CE 3.4Å; F223-M226 HydrophobicContact CE1-CE 3.94Å; F223-M226 HydrophobicContact CG-CE 4.43Å; F223-M226 PolarHBondContact O-N 3.19Å; F223-L227 WeakPolarHBondContact O-CB 3.48Å; F223-L227 PolarHBondContact O-N 3.47Å; F223-F324 HydrophobicContact CB-CE2 3.97Å; F223-F324 HydrophobicContact CB-CZ 3.67Å; F223-F324 HydrophobicContact CD1-CE1 4.31Å; F223-F324 AromaticContact CD1-CZ 3.69Å; F223-F324 HydrophobicContact CD1-CZ 3.69Å; F223-F324 HydrophobicContact CD2-CE1 4.44Å; F223-F324 AromaticContact CD2-CZ 3.87Å; F223-F324 HydrophobicContact CD2-CZ 3.87Å; F223-F324 HydrophobicContact CE1-CZ 4.31Å; F223-F324 HydrophobicContact CE2-CZ 4.44Å; F223-F324 HydrophobicContact CG-CE1 4.33Å; F223-F324 HydrophobicContact CG-CE2 4.25Å; F223-F324 AromaticContact CG-CZ 3.48Å; F223-F324 HydrophobicContact CG-CZ 3.48Å; F223-F324 VanDerWaalsContact CG-CZ 3.48Å
224I94.3Very high91.2Very high95 Ų9536.8 Ų36.849%0.48719%0.193SC..Hα-helixtrans-62.7-43.4177.6-69.7166.1000110.3W220 I221 L227 S228W220-I224 WeakPolarHBondContact O-CB 3.27Å; W220-I224 WeakPolarHBondContact O-CD1 3.3Å; W220-I224 VanDerWaalsContact O-CG1 3.23Å; W220-I224 WeakPolarHBondContact O-CG1 3.15Å; W220-I224 PolarHBondContact O-N 3.49Å; I221-I224 PolarHBondContact O-N 3.33Å; I224-L227 PolarHBondContact O-N 3.02Å; I224-S228 WeakPolarHBondContact O-CB 3.29Å; I224-S228 PolarHBondContact O-N 3.39Å; I224-S228 PolarHBondContact O-OG 3.07Å
225L95.3Very high91.5Very high33 Ų3336 Ų3617%0.17319%0.188CC..Hα-helixtrans-63.7-51.2177.2-74.1172000111.3I221 G222 F223 L227 S228 L229 I367 F370 L371I221-L225 HydrophobicContact CG2-CD1 3.76Å; I221-L225 HydrophobicContact CG2-CG 4.35Å; I221-L225 WeakPolarHBondContact O-CB 3.31Å; I221-L225 VanDerWaalsContact O-CG 3.29Å; I221-L225 WeakPolarHBondContact O-CG 3.22Å; I221-L225 PolarHBondContact O-N 3.3Å; G222-L225 PolarHBondContact O-N 3.32Å; F223-L225 VanDerWaalsContact C-N 3.33Å; F223-L225 PolarHBondContact O-N 3.49Å; L225-L227 VanDerWaalsContact C-N 3.28Å; L225-L227 PolarHBondContact O-N 2.89Å; L225-S228 PolarHBondContact O-N 3.34Å; L225-L229 HydrophobicContact CB-CD1 4.4Å; L225-L229 VanDerWaalsContact O-CB 3.28Å; L225-L229 WeakPolarHBondContact O-CB 3.16Å; L225-L229 WeakPolarHBondContact O-CD1 3.41Å; L225-L229 WeakPolarHBondContact O-CG 3.39Å; L225-L229 PolarHBondContact O-N 2.87Å; L225-I367 HydrophobicContact CD1-CG2 4.29Å; L225-I367 HydrophobicContact CD2-CG2 4.28Å; L225-F370 HydrophobicContact CD1-CD1 3.79Å; L225-F370 HydrophobicContact CD1-CE1 3.83Å; L225-L371 HydrophobicContact CB-CD1 4.28Å; L225-L371 HydrophobicContact CB-CD2 4.02Å; L225-L371 HydrophobicContact CB-CG 4.5Å; L225-L371 HydrophobicContact CD1-CD2 4.44Å
226M95.4Very high91.7Very high0 Ų035.9 Ų35.90%019%0.187CC..Hα-helixtrans-54.7-46.3177.8-75.4-171.7-71.200111.6L31 G222 F223 S230 L328 Y343 T344 F347 L371L31-M226 HydrophobicContact CD2-CE 3.94Å; L31-M226 HydrophobicContact CD2-SD 4.5Å; G222-M226 WeakPolarHBondContact O-CB 3.42Å; G222-M226 VanDerWaalsContact O-CG 3.32Å; G222-M226 WeakPolarHBondContact O-CG 3.18Å; G222-M226 PolarHBondContact O-N 2.83Å; F223-M226 HydrophobicContact CD1-CE 3.4Å; F223-M226 VanDerWaalsContact CD1-CE 3.4Å; F223-M226 HydrophobicContact CE1-CE 3.94Å; F223-M226 HydrophobicContact CG-CE 4.43Å; F223-M226 PolarHBondContact O-N 3.19Å; M226-S230 VanDerWaalsContact O-CB 3.31Å; M226-S230 WeakPolarHBondContact O-CB 3.1Å; M226-S230 PolarHBondContact O-N 2.89Å; M226-S230 VanDerWaalsContact O-N 3.11Å; M226-S230 PolarHBondContact O-OG 2.9Å; M226-L328 HydrophobicContact CB-CD1 4.23Å; M226-Y343 HydrophobicContact CB-CD1 4.5Å; M226-Y343 HydrophobicContact CB-CE1 4.01Å; M226-Y343 HydrophobicContact CG-CD1 4.46Å; M226-Y343 HydrophobicContact CG-CE1 4.37Å; M226-Y343 HydrophobicContact SD-CD1 3.51Å; M226-Y343 VanDerWaalsContact SD-CD1 3.51Å; M226-Y343 HydrophobicContact SD-CE1 3.98Å; M226-Y343 HydrophobicContact SD-CG 4.32Å; M226-T344 HydrophobicContact CE-CG2 4.38Å; M226-T344 HydrophobicContact SD-CG2 3.73Å; M226-F347 HydrophobicContact CB-CE2 4.12Å; M226-F347 HydrophobicContact CB-CZ 4.14Å; M226-F347 HydrophobicContact CG-CD2 4.17Å; M226-F347 HydrophobicContact CG-CE2 3.66Å; M226-F347 HydrophobicContact CG-CZ 4.15Å; M226-F347 HydrophobicContact SD-CE2 4.25Å; M226-L371 HydrophobicContact CG-CD1 4.32Å; M226-L371 HydrophobicContact CG-CD2 3.9Å
227L95.9Very high91.8Very high37 Ų3735.2 Ų35.219%0.19418%0.182CC..Hα-helixtrans-61.8-50.5178.5179.861.9000112F223 I224 L225 S230 I231 L327 T331F223-L227 WeakPolarHBondContact O-CB 3.48Å; F223-L227 PolarHBondContact O-N 3.47Å; I224-L227 PolarHBondContact O-N 3.02Å; L225-L227 VanDerWaalsContact C-N 3.28Å; L225-L227 PolarHBondContact O-N 2.89Å; L227-S230 PolarHBondContact O-N 3.42Å; L227-I231 HydrophobicContact CD1-CD1 3.85Å; L227-I231 HydrophobicContact CD1-CG1 4.37Å; L227-I231 HydrophobicContact CG-CD1 3.94Å; L227-I231 VanDerWaalsContact O-CG1 3.3Å; L227-I231 WeakPolarHBondContact O-CG1 3.37Å; L227-I231 PolarHBondContact O-N 3.31Å; L227-L327 HydrophobicContact CD1-CD1 4.28Å; L227-L327 HydrophobicContact CD1-CD2 3.93Å; L227-L327 HydrophobicContact CD1-CG 3.65Å; L227-L327 HydrophobicContact CD2-CD2 3.61Å; L227-L327 HydrophobicContact CD2-CG 4.3Å; L227-L327 HydrophobicContact CG-CD2 4.43Å; L227-T331 HydrophobicContact CD1-CG2 3.72Å; L227-T331 WeakPolarHBondContact CD1-OG1 3.34Å
228S94.5Very high91.8Very high50 Ų5039.2 Ų39.235%0.3519%0.189SC..Hα-helixtrans-63.9-46.1-176.3-54.30000111.7I224 L225 S230 I231 E232I224-S228 WeakPolarHBondContact O-CB 3.29Å; I224-S228 PolarHBondContact O-N 3.39Å; I224-S228 PolarHBondContact O-OG 3.07Å; L225-S228 PolarHBondContact O-N 3.34Å; S228-S230 VanDerWaalsContact C-N 3.32Å; S228-S230 PolarHBondContact O-N 3.06Å; S228-I231 PolarHBondContact O-N 3.32Å; S228-E232 PolarHBondContact O-N 3.37Å
229L94.1Very high91.6Very high0 Ų044.8 Ų44.80%021%0.211CC..Hα-helixtrans-63.6-37.8179.8-65.6171.9000111.9L225 R233 W254 N255 P256 F347 I367 L371L225-L229 HydrophobicContact CB-CD1 4.4Å; L225-L229 VanDerWaalsContact O-CB 3.28Å; L225-L229 WeakPolarHBondContact O-CB 3.16Å; L225-L229 WeakPolarHBondContact O-CD1 3.41Å; L225-L229 WeakPolarHBondContact O-CG 3.39Å; L225-L229 PolarHBondContact O-N 2.87Å; L229-R233 WeakPolarHBondContact O-CB 3.34Å; L229-R233 PolarHBondContact O-N 2.98Å; L229-W254 HydrophobicContact CD2-CE3 3.86Å; L229-W254 HydrophobicContact CD2-CH2 3.52Å; L229-W254 HydrophobicContact CD2-CZ2 4.32Å; L229-W254 HydrophobicContact CD2-CZ3 3.25Å; L229-W254 HydrophobicContact CG-CH2 4.32Å; L229-W254 HydrophobicContact CG-CZ3 4.18Å; L229-N255 HydrophobicContact CD2-CB 3.47Å; L229-N255 VanDerWaalsContact CD2-CB 3.47Å; L229-N255 WeakPolarHBondContact CD2-OD1 3.25Å; L229-N255 PolarHBondContact O-ND2 3.43Å; L229-P256 HydrophobicContact CD1-CG 4.48Å; L229-F347 HydrophobicContact CB-CD1 4.05Å; L229-F347 HydrophobicContact CB-CE1 3.64Å; L229-F347 HydrophobicContact CD1-CD1 3.78Å; L229-F347 HydrophobicContact CD1-CE1 4.1Å; L229-I367 HydrophobicContact CD1-CG2 3.87Å; L229-L371 HydrophobicContact CD1-CD1 3.45Å; L229-L371 VanDerWaalsContact CD1-CD1 3.45Å
230S95.2Very high90.8Very high0 Ų049.8 Ų49.80%024%0.24CC..Hα-helixtrans-70.1-42.7179.2-53.70000112M226 L227 S228 E232 R233 A234 A335 Y343 F347M226-S230 VanDerWaalsContact O-CB 3.31Å; M226-S230 WeakPolarHBondContact O-CB 3.1Å; M226-S230 PolarHBondContact O-N 2.89Å; M226-S230 VanDerWaalsContact O-N 3.11Å; M226-S230 PolarHBondContact O-OG 2.9Å; L227-S230 PolarHBondContact O-N 3.42Å; S228-S230 VanDerWaalsContact C-N 3.32Å; S228-S230 PolarHBondContact O-N 3.06Å; S230-E232 VanDerWaalsContact C-N 3.33Å; S230-E232 PolarHBondContact O-N 2.94Å; S230-R233 PolarHBondContact O-N 3.42Å; S230-A234 VanDerWaalsContact O-CB 3.29Å; S230-A234 WeakPolarHBondContact O-CB 3.38Å; S230-A234 PolarHBondContact O-N 3.37Å; S230-A335 WeakPolarHBondContact O-CB 3.32Å; S230-Y343 PolarHBondContact OG-OH 2.7Å; S230-F347 WeakPolarHBondContact OG-CZ 3.43Å
231I94.1Very high89.8Confident67 Ų6748.1 Ų48.134%0.34424%0.237SC..Hα-helixtrans-60.4-46.9175.8-70.2168000109.9L227 S228 A234 I235 T331L227-I231 HydrophobicContact CD1-CD1 3.85Å; L227-I231 HydrophobicContact CD1-CG1 4.37Å; L227-I231 HydrophobicContact CG-CD1 3.94Å; L227-I231 VanDerWaalsContact O-CG1 3.3Å; L227-I231 WeakPolarHBondContact O-CG1 3.37Å; L227-I231 PolarHBondContact O-N 3.31Å; S228-I231 PolarHBondContact O-N 3.32Å; I231-A234 PolarHBondContact O-N 3.15Å; I231-I235 HydrophobicContact CG2-CD1 3.73Å; I231-I235 HydrophobicContact CG2-CG1 4.44Å; I231-I235 VanDerWaalsContact O-CG1 3.27Å; I231-I235 WeakPolarHBondContact O-CG1 3.19Å; I231-I235 PolarHBondContact O-N 2.93Å; I231-T331 HydrophobicContact CD1-CG2 4.22Å; I231-T331 HydrophobicContact CG1-CG2 3.67Å
232E90.3Very high88.4Confident32 Ų3248.2 Ų48.215%0.1524%0.242CC..Hα-helixtrans-62.3-47.7178.6-173-177.4-149.400111.7S228 S230 A234 I235 I236 M252 W254 N255 I258S228-E232 PolarHBondContact O-N 3.37Å; S230-E232 VanDerWaalsContact C-N 3.33Å; S230-E232 PolarHBondContact O-N 2.94Å; E232-A234 VanDerWaalsContact C-N 3.31Å; E232-A234 PolarHBondContact O-N 2.79Å; E232-I235 PolarHBondContact O-N 3.44Å; E232-I236 HydrophobicContact CG-CD1 3.96Å; E232-I236 WeakPolarHBondContact O-CD1 3.3Å; E232-I236 VanDerWaalsContact O-CG1 3.31Å; E232-I236 WeakPolarHBondContact O-CG1 3.35Å; E232-I236 PolarHBondContact O-N 3.39Å; E232-M252 HydrophobicContact CG-CE 4.29Å; E232-W254 PolarHBondContact OE1-NE1 3.11Å; E232-W254 VanDerWaalsContact OE2-CE2 3.31Å; E232-W254 WeakPolarHBondContact OE2-CZ2 3.4Å; E232-W254 PolarHBondContact OE2-NE1 2.71Å; E232-N255 WeakPolarHBondContact OE2-CB 3.26Å; E232-N255 PolarHBondContact OE2-ND2 3.39Å; E232-I258 HydrophobicContact CG-CD1 4.32Å
233R90Very high86.8Confident10 Ų1051.5 Ų51.54%0.03826%0.262CS..Hα-helixtrans-55.9-45.3174.9179.4174.1171.6134.11.7111.5L229 S230 I236 L237 S257 S260 L261 E266 A335L229-R233 WeakPolarHBondContact O-CB 3.34Å; L229-R233 PolarHBondContact O-N 2.98Å; S230-R233 PolarHBondContact O-N 3.42Å; R233-I236 PolarHBondContact O-N 3.47Å; R233-L237 HydrophobicContact CG-CD1 4.11Å; R233-L237 WeakPolarHBondContact O-CG 3.44Å; R233-L237 PolarHBondContact O-N 3.15Å; R233-S257 WeakPolarHBondContact CD-OG 3.28Å; R233-S257 PolarHBondContact NH1-O 3.49Å; R233-S260 PolarHBondContact NH1-OG 2.89Å; R233-L261 HydrophobicContact CG-CD1 4.19Å; R233-E266 IonicContact CZ-OE2 2.9Å; R233-E266 IonicContact NH2-OE1 2.95Å; R233-E266 PolarHBondContact NH2-OE1 2.83Å; R233-E266 IonicContact NH2-OE2 3.96Å; R233-E266 PolarHBondContact NH2-OE2 3.28Å; R233-A335 HydrophobicContact CB-CB 4.38Å; R233-A335 WeakPolarHBondContact CD-O 3.27Å; R233-A335 HydrophobicContact CG-CB 4.4Å; R233-A335 PolarHBondContact NE-O 3.43Å
234A91.4Very high85.1Confident5 Ų554.6 Ų54.64%0.04129%0.288CS..Hα-helixtrans-64.8-39.4179.200000113.1S230 I231 E232 R238 I334 A335S230-A234 VanDerWaalsContact O-CB 3.29Å; S230-A234 WeakPolarHBondContact O-CB 3.38Å; S230-A234 PolarHBondContact O-N 3.37Å; I231-A234 PolarHBondContact O-N 3.15Å; E232-A234 VanDerWaalsContact C-N 3.31Å; E232-A234 PolarHBondContact O-N 2.79Å; A234-R238 WeakPolarHBondContact O-CG 3.5Å; A234-R238 PolarHBondContact O-N 2.94Å; A234-I334 HydrophobicContact CB-CB 4.38Å; A234-I334 HydrophobicContact CB-CD1 3.87Å; A234-I334 HydrophobicContact CB-CG1 3.73Å; A234-A335 HydrophobicContact CB-CB 4.24Å
235I89.7Confident83.5Confident83 Ų8352.1 Ų52.143%0.42628%0.279SS..Hα-helixtrans-64.4-44.6176.3-70.7166.8000110.4I231 E232 R238 K239I231-I235 HydrophobicContact CG2-CD1 3.73Å; I231-I235 HydrophobicContact CG2-CG1 4.44Å; I231-I235 VanDerWaalsContact O-CG1 3.27Å; I231-I235 WeakPolarHBondContact O-CG1 3.19Å; I231-I235 PolarHBondContact O-N 2.93Å; E232-I235 PolarHBondContact O-N 3.44Å; I235-R238 PolarHBondContact O-N 2.93Å; I235-K239 HydrophobicContact CG2-CD 4.07Å; I235-K239 WeakPolarHBondContact O-CG 3.36Å; I235-K239 PolarHBondContact O-N 3.1Å; I235-K239 VanDerWaalsContact O-N 3.07Å
236I84.9Confident81.9Confident6 Ų650.9 Ų50.93%0.03127%0.272CS..Hα-helixtrans-61.3-50.2179.6-69.5159.1000110.9E232 R233 R238 K239 N240 F246 M252 I258 L261E232-I236 HydrophobicContact CG-CD1 3.96Å; E232-I236 WeakPolarHBondContact O-CD1 3.3Å; E232-I236 VanDerWaalsContact O-CG1 3.31Å; E232-I236 WeakPolarHBondContact O-CG1 3.35Å; E232-I236 PolarHBondContact O-N 3.39Å; R233-I236 PolarHBondContact O-N 3.47Å; I236-R238 PolarHBondContact O-N 2.94Å; I236-K239 PolarHBondContact O-N 3Å; I236-K239 VanDerWaalsContact O-N 3.15Å; I236-N240 PolarHBondContact O-N 3.46Å; I236-F246 HydrophobicContact CD1-CZ 4.12Å; I236-F246 HydrophobicContact CG1-CZ 4.32Å; I236-F246 HydrophobicContact CG2-CE2 3.93Å; I236-F246 HydrophobicContact CG2-CZ 3.73Å; I236-M252 HydrophobicContact CD1-CE 3.48Å; I236-M252 VanDerWaalsContact CD1-CE 3.48Å; I236-M252 HydrophobicContact CD1-CG 4.42Å; I236-M252 HydrophobicContact CD1-SD 3.87Å; I236-M252 HydrophobicContact CG1-CE 3.34Å; I236-M252 HydrophobicContact CG1-SD 4Å; I236-I258 HydrophobicContact CD1-CD1 3.15Å; I236-I258 HydrophobicContact CD1-CG1 3.53Å; I236-I258 HydrophobicContact CD1-CG2 4.15Å; I236-L261 HydrophobicContact CG2-CD1 4.26Å
237L86.8Confident80.2Confident17 Ų1757.4 Ų57.49%0.08930%0.303CS..Hα-helixtrans-53.4-41.4179.2-81.9169.3000112R233 L261 A335R233-L237 HydrophobicContact CG-CD1 4.11Å; R233-L237 WeakPolarHBondContact O-CG 3.44Å; R233-L237 PolarHBondContact O-N 3.15Å; L237-L261 HydrophobicContact CD1-CD1 4.49Å; L237-L261 HydrophobicContact CD2-CD1 3.75Å; L237-L261 HydrophobicContact CD2-CD2 3.53Å; L237-L261 HydrophobicContact CD2-CG 4.29Å; L237-L261 HydrophobicContact CG-CD1 3.75Å; L237-L261 HydrophobicContact CG-CD2 4.31Å; L237-A335 WeakPolarHBondContact CD1-O 3.49Å
238R87.4Confident78.3Confident148 Ų14863.6 Ų63.656%0.55833%0.33SS*.Hα-helixtrans-79.5-26.7-178.1-69.2-177.3-177.3-84.9-3.3114.1A234 I235 I236 N240A234-R238 WeakPolarHBondContact O-CG 3.5Å; A234-R238 PolarHBondContact O-N 2.94Å; I235-R238 PolarHBondContact O-N 2.93Å; I236-R238 PolarHBondContact O-N 2.94Å; R238-N240 VanDerWaalsContact C-N 3.26Å
239K84.7Confident76.6Confident151 Ų15165.8 Ų65.866%0.65734%0.338SS*.Hα-helixtrans-79-9.2175.6-75.1-175175.6-176.60113.1I235 I236 I241I235-K239 HydrophobicContact CG2-CD 4.07Å; I235-K239 WeakPolarHBondContact O-CG 3.36Å; I235-K239 PolarHBondContact O-N 3.1Å; I235-K239 VanDerWaalsContact O-N 3.07Å; I236-K239 PolarHBondContact O-N 3Å; I236-K239 VanDerWaalsContact O-N 3.15Å; K239-I241 HydrophobicContact CB-CD1 3.9Å; K239-I241 HydrophobicContact CB-CG1 3.6Å; K239-I241 HydrophobicContact CD-CD1 4.07Å; K239-I241 PolarHBondContact O-N 2.94Å; K239-I241 VanDerWaalsContact O-N 3.17Å
240N73Confident75Confident129 Ų12968.8 Ų68.869%0.6936%0.356SS*.THydrogen-bonded Turntrans47.541.6-177.8-159.327.6000112.8I236 R238 T242I236-N240 PolarHBondContact O-N 3.46Å; R238-N240 VanDerWaalsContact C-N 3.26Å; N240-T242 PolarHBondContact O-N 2.88Å
241I68.8Low73.5Confident58 Ų5873.5 Ų73.530%0.29739%0.389SS..  trans-63.8120.5-177.8-65.7178.5000108K239 S245 F246K239-I241 HydrophobicContact CB-CD1 3.9Å; K239-I241 HydrophobicContact CB-CG1 3.6Å; K239-I241 HydrophobicContact CD-CD1 4.07Å; K239-I241 PolarHBondContact O-N 2.94Å; K239-I241 VanDerWaalsContact O-N 3.17Å; I241-S245 WeakPolarHBondContact CG2-OG 3.48Å; I241-F246 HydrophobicContact CB-CE2 4.08Å; I241-F246 HydrophobicContact CG2-CD2 3.73Å; I241-F246 HydrophobicContact CG2-CE2 3.62Å
242T63.7Low72.1Confident88 Ų8872.2 Ų72.254%0.5438%0.382SS..  trans-71.5149.5-178.158.40000111.2N240 A244 S245 F246N240-T242 PolarHBondContact O-N 2.88Å; T242-A244 PolarHBondContact O-N 3.1Å; T242-A244 VanDerWaalsContact O-N 3.08Å; T242-S245 PolarHBondContact N-OG 2.96Å; T242-S245 PolarHBondContact O-N 3.25Å; T242-S245 PolarHBondContact O-OG 3.28Å; T242-F246 PolarHBondContact O-N 3.4Å
243V59.8Low71.2Confident68 Ų6872.8 Ų72.841%0.41238%0.383SS..Hα-helixtrans-51.9-33.8176-179.80000112.2S245 F246 H247V243-S245 VanDerWaalsContact C-N 3.31Å; V243-S245 PolarHBondContact O-N 3.44Å; V243-F246 WeakPolarHBondContact O-CB 3.38Å; V243-F246 PolarHBondContact O-N 2.91Å; V243-F246 VanDerWaalsContact O-N 3.08Å; V243-H247 PolarHBondContact O-N 3.49Å
244A58.4Low70.7Confident70 Ų7075.6 Ų75.658%0.57939%0.394SS*.Hα-helixtrans-60.8-36.517600000113.3T242T242-A244 PolarHBondContact O-N 3.1Å; T242-A244 VanDerWaalsContact O-N 3.08Å
245S61.1Low70.4Confident43 Ų4375.4 Ų75.430%0.30139%0.392SS..Hα-helixtrans-76.4-22.917563.80000113.2I241 T242 V243 N249I241-S245 WeakPolarHBondContact CG2-OG 3.48Å; T242-S245 PolarHBondContact N-OG 2.96Å; T242-S245 PolarHBondContact O-N 3.25Å; T242-S245 PolarHBondContact O-OG 3.28Å; V243-S245 VanDerWaalsContact C-N 3.31Å; V243-S245 PolarHBondContact O-N 3.44Å; S245-N249 PolarHBondContact O-N 3.35Å
246F60.8Low70.1Confident6 Ų671.7 Ų71.73%0.02637%0.373CS..Hα-helixtrans-69.8-40.2173.9-96.6-83.8000112.8I236 I241 T242 V243 H248 N249 M252 Y253 I258 L262I236-F246 HydrophobicContact CD1-CZ 4.12Å; I236-F246 HydrophobicContact CG1-CZ 4.32Å; I236-F246 HydrophobicContact CG2-CE2 3.93Å; I236-F246 HydrophobicContact CG2-CZ 3.73Å; I241-F246 HydrophobicContact CB-CE2 4.08Å; I241-F246 HydrophobicContact CG2-CD2 3.73Å; I241-F246 HydrophobicContact CG2-CE2 3.62Å; T242-F246 PolarHBondContact O-N 3.4Å; V243-F246 WeakPolarHBondContact O-CB 3.38Å; V243-F246 PolarHBondContact O-N 2.91Å; V243-F246 VanDerWaalsContact O-N 3.08Å; F246-H248 PolarHBondContact O-N 3.23Å; F246-N249 CarbonylContact O-C 3.42Å; F246-N249 PolarHBondContact O-N 2.94Å; F246-N249 VanDerWaalsContact O-N 3.07Å; F246-M252 HydrophobicContact CD1-CB 4.37Å; F246-M252 HydrophobicContact CD1-SD 4.37Å; F246-M252 HydrophobicContact CE1-CB 3.99Å; F246-M252 HydrophobicContact CE1-CG 3.91Å; F246-M252 HydrophobicContact CE1-SD 3.47Å; F246-M252 WeakPolarHBondContact CE1-SD 3.41Å; F246-M252 HydrophobicContact CZ-SD 3.63Å; F246-Y253 WeakPolarHBondContact O-CE2 2.98Å; F246-Y253 PolarHBondContact O-OH 3.09Å; F246-I258 HydrophobicContact CE1-CG2 3.83Å; F246-I258 HydrophobicContact CZ-CG2 3.77Å; F246-L262 HydrophobicContact CB-CD2 3.94Å; F246-L262 HydrophobicContact CD1-CD2 3.84Å; F246-L262 HydrophobicContact CD2-CD2 3.64Å; F246-L262 HydrophobicContact CE1-CD2 4.23Å; F246-L262 HydrophobicContact CE2-CD2 4.05Å; F246-L262 HydrophobicContact CG-CD2 3.53Å; F246-L262 HydrophobicContact CZ-CD2 4.33Å
247H59.3Low70Confident138 Ų13871.5 Ų71.564%0.63937%0.373SS*.Hα-helixtrans-60-28.3177.7-92-77.3000113.2V243V243-H247 PolarHBondContact O-N 3.49Å
248H55.4Low69.8Low167 Ų16770.9 Ų70.977%0.77337%0.37SS*.Hα-helixtrans-82.2-24.6175.2-86.7-75.1000114F246F246-H248 PolarHBondContact O-N 3.23Å
249N60.6Low69.1Low96 Ų9664.2 Ų64.251%0.51335%0.345SS..  trans-10667.4-178.6-74-20.7000111.7S245 F246 S251 M252S245-N249 PolarHBondContact O-N 3.35Å; F246-N249 CarbonylContact O-C 3.42Å; F246-N249 PolarHBondContact O-N 2.94Å; F246-N249 VanDerWaalsContact O-N 3.07Å; N249-S251 PolarHBondContact O-N 3.07Å; N249-M252 PolarHBondContact O-N 2.94Å; N249-M252 VanDerWaalsContact O-N 3.07Å
250V60Low68.5Low62 Ų6258.1 Ų58.138%0.37632%0.321SS..G310 helixtrans-53.7-21.2178.1178.40000113.2M252 Y253 P360V250-M252 VanDerWaalsContact C-N 3.26Å; V250-M252 PolarHBondContact O-N 3.23Å; V250-Y253 WeakPolarHBondContact O-CD2 3.33Å; V250-P360 HydrophobicContact CG1-CG 3.72Å; V250-P360 WeakPolarHBondContact O-CG 3.45Å
251S62.8Low68.6Low99 Ų9953.1 Ų53.169%0.69229%0.294SS*.G310 helixtrans-66.7-19176.955.50000114.9N249N249-S251 PolarHBondContact O-N 3.07Å
252M64.8Low68.6Low41 Ų4151.8 Ų51.820%0.20229%0.287CS..G310 helixtrans-86.9-6.2-174-150.5173.6-150.200114.3E232 I236 F246 N249 V250 W254 I258E232-M252 HydrophobicContact CG-CE 4.29Å; I236-M252 HydrophobicContact CD1-CE 3.48Å; I236-M252 VanDerWaalsContact CD1-CE 3.48Å; I236-M252 HydrophobicContact CD1-CG 4.42Å; I236-M252 HydrophobicContact CD1-SD 3.87Å; I236-M252 HydrophobicContact CG1-CE 3.34Å; I236-M252 HydrophobicContact CG1-SD 4Å; F246-M252 HydrophobicContact CD1-CB 4.37Å; F246-M252 HydrophobicContact CD1-SD 4.37Å; F246-M252 HydrophobicContact CE1-CB 3.99Å; F246-M252 HydrophobicContact CE1-CG 3.91Å; F246-M252 HydrophobicContact CE1-SD 3.47Å; F246-M252 WeakPolarHBondContact CE1-SD 3.41Å; F246-M252 HydrophobicContact CZ-SD 3.63Å; N249-M252 PolarHBondContact O-N 2.94Å; N249-M252 VanDerWaalsContact O-N 3.07Å; V250-M252 VanDerWaalsContact C-N 3.26Å; V250-M252 PolarHBondContact O-N 3.23Å; M252-W254 VanDerWaalsContact C-N 3.25Å; M252-W254 PolarHBondContact O-N 2.8Å; M252-I258 HydrophobicContact CG-CD1 4.31Å
253Y71Confident68.7Low44 Ų4451.1 Ų51.117%0.17328%0.283CS..G310 helixtrans-78.50-174.2-69.4-92.1000114.2F246 V250 N255 Y259 L262 A364F246-Y253 WeakPolarHBondContact O-CE2 2.98Å; F246-Y253 PolarHBondContact O-OH 3.09Å; V250-Y253 WeakPolarHBondContact O-CD2 3.33Å; Y253-N255 PolarHBondContact O-N 3.22Å; Y253-Y259 AromaticContact CD1-CE1 3.8Å; Y253-Y259 HydrophobicContact CD1-CE1 3.8Å; Y253-Y259 PolarHBondContact O-OH 3Å; Y253-L262 HydrophobicContact CD1-CD1 4.13Å; Y253-L262 HydrophobicContact CE1-CD1 3.62Å; Y253-A364 VanDerWaalsContact O-CB 3.23Å; Y253-A364 WeakPolarHBondContact O-CB 3.34Å
254W81Confident69.1Low69 Ų6952.8 Ų52.826%0.26129%0.285SS..G310 helixtrans-70.6-16.3-179.372.4-80.8000113.8L229 E232 M252 P256 L363 A364 I367L229-W254 HydrophobicContact CD2-CE3 3.86Å; L229-W254 HydrophobicContact CD2-CH2 3.52Å; L229-W254 HydrophobicContact CD2-CZ2 4.32Å; L229-W254 HydrophobicContact CD2-CZ3 3.25Å; L229-W254 HydrophobicContact CG-CH2 4.32Å; L229-W254 HydrophobicContact CG-CZ3 4.18Å; E232-W254 PolarHBondContact OE1-NE1 3.11Å; E232-W254 VanDerWaalsContact OE2-CE2 3.31Å; E232-W254 WeakPolarHBondContact OE2-CZ2 3.4Å; E232-W254 PolarHBondContact OE2-NE1 2.71Å; M252-W254 VanDerWaalsContact C-N 3.25Å; M252-W254 PolarHBondContact O-N 2.8Å; W254-P256 WeakPolarHBondContact O-CD 3.37Å; W254-L363 HydrophobicContact CB-CD2 4.35Å; W254-A364 VanDerWaalsContact C-CB 3.48Å; W254-A364 WeakPolarHBondContact O-CA 3.42Å; W254-A364 WeakPolarHBondContact O-CB 3.39Å; W254-I367 HydrophobicContact CE3-CD1 3.84Å; W254-I367 HydrophobicContact CZ3-CD1 4.27Å
255N85.5Confident69.8Low0 Ų054.5 Ų54.50%029%0.292CS..  trans-96111.8-176.3171.5-7.3000111.6L229 E232 Y253 S257 I258L229-N255 HydrophobicContact CD2-CB 3.47Å; L229-N255 VanDerWaalsContact CD2-CB 3.47Å; L229-N255 WeakPolarHBondContact CD2-OD1 3.25Å; L229-N255 PolarHBondContact O-ND2 3.43Å; E232-N255 WeakPolarHBondContact OE2-CB 3.26Å; E232-N255 PolarHBondContact OE2-ND2 3.39Å; Y253-N255 PolarHBondContact O-N 3.22Å; N255-S257 PolarHBondContact O-N 3.28Å; N255-S257 WeakPolarHBondContact OD1-CB 3.12Å; N255-S257 PolarHBondContact OD1-N 3.44Å; N255-S257 PolarHBondContact OD1-OG 3.24Å; N255-I258 HydrophobicContact CB-CD1 3.55Å; N255-I258 HydrophobicContact CB-CG1 4.02Å; N255-I258 PolarHBondContact O-N 3.27Å
256P82.7Confident70.6Confident5 Ų554.5 Ų54.53%0.03229%0.288CS..THydrogen-bonded Turntrans-64.4-23.6-174.925.9-35.6000113.9L229 W254 I258 Y259 P349 I367L229-P256 HydrophobicContact CD1-CG 4.48Å; W254-P256 WeakPolarHBondContact O-CD 3.37Å; P256-I258 VanDerWaalsContact C-N 3.3Å; P256-I258 PolarHBondContact O-N 3.27Å; P256-Y259 VanDerWaalsContact O-CD2 3.31Å; P256-Y259 WeakPolarHBondContact O-CD2 3.26Å; P256-P349 HydrophobicContact CB-CG 4.41Å; P256-I367 HydrophobicContact CG-CG2 4.42Å
257S82.6Confident71.7Confident3 Ų358.5 Ų58.52%0.02132%0.315CS..THydrogen-bonded Turntrans-76.4-15.9-179.373.70000112.9R233 N255 S260R233-S257 WeakPolarHBondContact CD-OG 3.28Å; R233-S257 PolarHBondContact NH1-O 3.49Å; N255-S257 PolarHBondContact O-N 3.28Å; N255-S257 WeakPolarHBondContact OD1-CB 3.12Å; N255-S257 PolarHBondContact OD1-N 3.44Å; N255-S257 PolarHBondContact OD1-OG 3.24Å; S257-S260 PolarHBondContact O-OG 2.9Å; S257-S260 VanDerWaalsContact O-OG 3.08Å
258I82Confident73Confident4 Ų455.7 Ų55.72%0.02130%0.303CS..THydrogen-bonded Turntrans-77.4-27-179-60.4165.4000111.7E232 I236 F246 M252 N255 P256 S260 L261 L262E232-I258 HydrophobicContact CG-CD1 4.32Å; I236-I258 HydrophobicContact CD1-CD1 3.15Å; I236-I258 HydrophobicContact CD1-CG1 3.53Å; I236-I258 HydrophobicContact CD1-CG2 4.15Å; F246-I258 HydrophobicContact CE1-CG2 3.83Å; F246-I258 HydrophobicContact CZ-CG2 3.77Å; M252-I258 HydrophobicContact CG-CD1 4.31Å; N255-I258 HydrophobicContact CB-CD1 3.55Å; N255-I258 HydrophobicContact CB-CG1 4.02Å; N255-I258 PolarHBondContact O-N 3.27Å; P256-I258 VanDerWaalsContact C-N 3.3Å; P256-I258 PolarHBondContact O-N 3.27Å; I258-S260 VanDerWaalsContact C-N 3.28Å; I258-S260 PolarHBondContact O-N 3.38Å; I258-L261 WeakPolarHBondContact O-CA 3.22Å; I258-L261 WeakPolarHBondContact O-CB 3.35Å; I258-L261 PolarHBondContact O-N 3.17Å; I258-L262 HydrophobicContact CG2-CG 4.39Å; I258-L262 PolarHBondContact O-N 3.48Å
259Y72.8Confident74.6Confident8 Ų848 Ų483%0.03127%0.268CS..Hα-helixtrans-56.9-39.1-172-68.7-68.2000113.9Y253 P256 L261 L262 T263 F353 Y361 A364Y253-Y259 AromaticContact CD1-CE1 3.8Å; Y253-Y259 HydrophobicContact CD1-CE1 3.8Å; Y253-Y259 PolarHBondContact O-OH 3Å; P256-Y259 VanDerWaalsContact O-CD2 3.31Å; P256-Y259 WeakPolarHBondContact O-CD2 3.26Å; Y259-L261 PolarHBondContact O-N 2.9Å; Y259-L262 HydrophobicContact CD1-CD1 4.11Å; Y259-L262 WeakPolarHBondContact O-CB 3.19Å; Y259-L262 PolarHBondContact O-N 3.42Å; Y259-T263 PolarHBondContact O-N 3.35Å; Y259-F353 HydrophobicContact CD1-CD2 4.46Å; Y259-F353 HydrophobicContact CD1-CG 4.4Å; Y259-Y361 AromaticContact CE1-CD2 4Å; Y259-Y361 HydrophobicContact CE1-CD2 4Å; Y259-Y361 HydrophobicContact CE1-CE2 4.24Å; Y259-Y361 HydrophobicContact CE2-CE2 4.46Å; Y259-Y361 AromaticContact CZ-CD2 3.72Å; Y259-Y361 VanDerWaalsContact OH-CD2 3.27Å; Y259-Y361 WeakPolarHBondContact OH-CD2 3.21Å; Y259-A364 HydrophobicContact CE2-CB 3.74Å
260S73.1Confident76Confident23 Ų2352.8 Ų52.816%0.16128%0.284CS..Hα-helixtrans-52.7-36172.453.20000113.6R233 S257 I258 L262 T263 K264 E266R233-S260 PolarHBondContact NH1-OG 2.89Å; S257-S260 PolarHBondContact O-OG 2.9Å; S257-S260 VanDerWaalsContact O-OG 3.08Å; I258-S260 VanDerWaalsContact C-N 3.28Å; I258-S260 PolarHBondContact O-N 3.38Å; S260-L262 VanDerWaalsContact C-N 3.35Å; S260-T263 PolarHBondContact O-OG1 3.3Å; S260-K264 PolarHBondContact O-N 3.44Å; S260-K264 VanDerWaalsContact O-O 3.08Å; S260-E266 WeakPolarHBondContact CB-OE1 3.4Å; S260-E266 PolarHBondContact OG-OE1 3.04Å
261L74.2Confident77.4Confident24 Ų2451.3 Ų51.313%0.12628%0.276CS..Hα-helixtrans-74.2-25178.3-51.9-179000113.1R233 I236 L237 I258 Y259 K264 E266R233-L261 HydrophobicContact CG-CD1 4.19Å; I236-L261 HydrophobicContact CG2-CD1 4.26Å; L237-L261 HydrophobicContact CD1-CD1 4.49Å; L237-L261 HydrophobicContact CD2-CD1 3.75Å; L237-L261 HydrophobicContact CD2-CD2 3.53Å; L237-L261 HydrophobicContact CD2-CG 4.29Å; L237-L261 HydrophobicContact CG-CD1 3.75Å; L237-L261 HydrophobicContact CG-CD2 4.31Å; I258-L261 WeakPolarHBondContact O-CA 3.22Å; I258-L261 WeakPolarHBondContact O-CB 3.35Å; I258-L261 PolarHBondContact O-N 3.17Å; Y259-L261 PolarHBondContact O-N 2.9Å; L261-K264 CarbonylContact C-O 3.46Å; L261-K264 WeakPolarHBondContact CA-O 3.21Å; L261-E266 HydrophobicContact CD2-CB 3.68Å; L261-E266 HydrophobicContact CD2-CG 3.76Å
262L69.5Low78.7Confident30 Ų3048.6 Ų48.616%0.15726%0.256CS..Hα-helixtrans-79-36.6178.9-60.6177.6000111.5F246 Y253 I258 Y259 S260F246-L262 HydrophobicContact CB-CD2 3.94Å; F246-L262 HydrophobicContact CD1-CD2 3.84Å; F246-L262 HydrophobicContact CD2-CD2 3.64Å; F246-L262 HydrophobicContact CE1-CD2 4.23Å; F246-L262 HydrophobicContact CE2-CD2 4.05Å; F246-L262 HydrophobicContact CG-CD2 3.53Å; F246-L262 HydrophobicContact CZ-CD2 4.33Å; Y253-L262 HydrophobicContact CD1-CD1 4.13Å; Y253-L262 HydrophobicContact CE1-CD1 3.62Å; I258-L262 HydrophobicContact CG2-CG 4.39Å; I258-L262 PolarHBondContact O-N 3.48Å; Y259-L262 HydrophobicContact CD1-CD1 4.11Å; Y259-L262 WeakPolarHBondContact O-CB 3.19Å; Y259-L262 PolarHBondContact O-N 3.42Å; S260-L262 VanDerWaalsContact C-N 3.35Å
263T65.1Low79.9Confident73 Ų7348.8 Ų48.845%0.44827%0.265SS..Hα-helixtrans-72.1-39.1174.443.50000112.7Y259 S260 F353Y259-T263 PolarHBondContact O-N 3.35Å; S260-T263 PolarHBondContact O-OG1 3.3Å; T263-F353 HydrophobicContact CG2-CE1 4.5Å; T263-F353 HydrophobicContact CG2-CE2 3.58Å; T263-F353 HydrophobicContact CG2-CZ 3.32Å
264K68.3Low80.8Confident103 Ų10352.8 Ų52.845%0.44828%0.283SS..SBendtrans-147.7131.4-168.4-175.2176.6171.9-172.70109.4D166 S260 L261 E266D166-K264 IonicContact OD1-NZ 2.74Å; D166-K264 PolarHBondContact OD1-NZ 3.36Å; D166-K264 IonicContact OD2-NZ 2.72Å; D166-K264 PolarHBondContact OD2-NZ 2.81Å; S260-K264 PolarHBondContact O-N 3.44Å; S260-K264 VanDerWaalsContact O-O 3.08Å; L261-K264 CarbonylContact C-O 3.46Å; L261-K264 WeakPolarHBondContact CA-O 3.21Å; K264-E266 PolarHBondContact O-N 3.22Å; K264-E266 VanDerWaalsContact O-N 3.07Å
265S73.3Confident81.3Confident106 Ų10652.9 Ų52.974%0.74129%0.286SS*.  trans-65.7112171.7-175.80000109
266E77.8Confident81.3Confident44 Ų4455.6 Ų55.621%0.20630%0.304CS..PPolyproline II helixtrans-87.8143.2169.4-69.9-173-155.600110.6R233 S260 L261 K264 N337R233-E266 IonicContact CZ-OE2 2.9Å; R233-E266 IonicContact NH2-OE1 2.95Å; R233-E266 PolarHBondContact NH2-OE1 2.83Å; R233-E266 IonicContact NH2-OE2 3.96Å; R233-E266 PolarHBondContact NH2-OE2 3.28Å; S260-E266 WeakPolarHBondContact CB-OE1 3.4Å; S260-E266 PolarHBondContact OG-OE1 3.04Å; L261-E266 HydrophobicContact CD2-CB 3.68Å; L261-E266 HydrophobicContact CD2-CG 3.76Å; K264-E266 PolarHBondContact O-N 3.22Å; K264-E266 VanDerWaalsContact O-N 3.07Å; E266-N337 PolarHBondContact OE2-ND2 3.37Å
267P84.1Confident81.5Confident90 Ų9061.4 Ų61.458%0.58433%0.331SS*.PPolyproline II helixtrans-66.7150.2172.229.6-34.1000110.8P269 N337P267-P269 WeakPolarHBondContact O-CD 2.9Å; P267-N337 PolarHBondContact O-ND2 2.96Å; P267-N337 PolarHBondContact O-OD1 3.5Å
268I87Confident81.8Confident78 Ų7863.7 Ų63.740%0.434%0.343SS..PPolyproline II helixtrans-59.8128.4170.6-61.6172000108.5K270I268-K270 PolarHBondContact O-N 3Å
269P89.5Confident82.2Confident6 Ų665.9 Ų65.94%0.03935%0.354CS..PPolyproline II helixtrans-54.7127.8176.9-27.434.9000112.4P267 P271 I333 N337P267-P269 WeakPolarHBondContact O-CD 2.9Å; P269-P271 VanDerWaalsContact O-CD 3.29Å; P269-P271 WeakPolarHBondContact O-CD 3.31Å; P269-I333 WeakPolarHBondContact CB-O 3.37Å; P269-N337 VanDerWaalsContact CA-OD1 3.23Å; P269-N337 WeakPolarHBondContact CA-OD1 3.36Å
270K88.4Confident83Confident196 Ų19666.2 Ų66.285%0.85236%0.357SS*.  trans-115.172.6172.3-66.6-179.5-175.6176.20108.7I268I268-K270 PolarHBondContact O-N 3Å
271P89.2Confident83.8Confident32 Ų3265.8 Ų65.821%0.20835%0.354CS..  trans-62.1139.9-178.826.6-34.2000110P269 I333P269-P271 VanDerWaalsContact O-CD 3.29Å; P269-P271 WeakPolarHBondContact O-CD 3.31Å; P271-I333 HydrophobicContact CB-CB 4.23Å; P271-I333 HydrophobicContact CB-CD1 4.46Å; P271-I333 HydrophobicContact CG-CB 4.33Å; P271-I333 HydrophobicContact CG-CD1 4.21Å
272P90.4Very high84.8Confident41 Ų4164.7 Ų64.727%0.26635%0.348SS..  trans-61.2144.6177.226.2-33.1000110.2G41 W42 Q275G41-P272 CarbonylContact C-O 3.59Å; G41-P272 WeakPolarHBondContact CA-O 3.46Å; W42-P272 VanDerWaalsContact CD1-O 3.29Å; W42-P272 PolarHBondContact N-O 3.37Å; P272-Q275 HydrophobicContact CB-CG 3.88Å; P272-Q275 HydrophobicContact CG-CG 4.08Å
273A89.9Confident85.9Confident46 Ų4663.7 Ų63.738%0.3834%0.343SS..SBendtrans-76.7-35.5173.400000111.8L43L43-A273 PolarHBondContact N-O 2.93Å
274F91.3Very high87.3Confident128 Ų12860.2 Ų60.256%0.56132%0.321SS*.  trans-150.3117.5-172.3-174.8-106.4000111.3I44 P276 I279I44-F274 HydrophobicContact CB-CD2 3.93Å; I44-F274 HydrophobicContact CB-CE2 4.34Å; I44-F274 HydrophobicContact CD1-CE2 4.2Å; I44-F274 HydrophobicContact CG1-CD2 4.24Å; I44-F274 HydrophobicContact CG1-CE2 4.14Å; I44-F274 HydrophobicContact CG2-CD2 4.2Å; F274-P276 HydrophobicContact CD1-CG 4.32Å; F274-P276 HydrophobicContact CE1-CB 3.86Å; F274-P276 HydrophobicContact CE1-CG 3.65Å; F274-P276 HydrophobicContact CZ-CB 3.75Å; F274-P276 HydrophobicContact CZ-CG 4.09Å; F274-I279 HydrophobicContact CE2-CD1 4.43Å
275Q90.9Very high88.6Confident71 Ų7155.4 Ų55.433%0.33230%0.3SS..  trans-133.593.3170.6-78.5-176.2-16.900108.9Q39 A40 P272 Q277 N278Q39-Q275 WeakPolarHBondContact O-CB 3.35Å; Q39-Q275 PolarHBondContact O-OE1 3.15Å; A40-Q275 PolarHBondContact O-N 3.1Å; P272-Q275 HydrophobicContact CB-CG 3.88Å; P272-Q275 HydrophobicContact CG-CG 4.08Å; Q275-Q277 PolarHBondContact O-N 3.43Å; Q275-N278 PolarHBondContact O-N 2.92Å
276P84.7Confident89.7Confident56 Ų5650.3 Ų50.336%0.36427%0.265SS..G310 helixtrans-66-23.7-171.325.5-32.4000113.1F274 N278 I279F274-P276 HydrophobicContact CD1-CG 4.32Å; F274-P276 HydrophobicContact CE1-CB 3.86Å; F274-P276 HydrophobicContact CE1-CG 3.65Å; F274-P276 HydrophobicContact CZ-CB 3.75Å; F274-P276 HydrophobicContact CZ-CG 4.09Å; P276-N278 PolarHBondContact O-N 3.32Å; P276-I279 HydrophobicContact CB-CD1 4.1Å; P276-I279 WeakPolarHBondContact O-CB 3.45Å; P276-I279 WeakPolarHBondContact O-CG1 3.21Å; P276-I279 PolarHBondContact O-N 3.19Å
277Q87.1Confident90.6Very high128 Ų12848.2 Ų48.260%0.59826%0.255SS*.G310 helixtrans-61.8-29.1-178.6-55.583.58.700112.3Q275 P280Q275-Q277 PolarHBondContact O-N 3.43Å; Q277-P280 WeakPolarHBondContact O-CD 3.47Å
278N88.9Confident91.1Very high51 Ų5144.4 Ų44.427%0.27323%0.229SC..G310 helixtrans-99.31-175.3-64.1-42.8000113.5Q39 A40 Q275 P276 P280 S281 L282Q39-N278 HydrophobicContact CB-CB 4.01Å; Q39-N278 WeakPolarHBondContact O-CB 3.42Å; Q39-N278 PolarHBondContact O-ND2 3.45Å; A40-N278 HydrophobicContact CB-CB 4.33Å; Q275-N278 PolarHBondContact O-N 2.92Å; P276-N278 PolarHBondContact O-N 3.32Å; N278-P280 VanDerWaalsContact C-CD 3.44Å; N278-S281 PolarHBondContact O-N 3.29Å; N278-L282 PolarHBondContact O-N 3.16Å; N278-L282 VanDerWaalsContact O-N 3.09Å
279I89.9Confident91.6Very high50 Ų5040.7 Ų40.726%0.25621%0.21SC..Hα-helixtrans-57.1-41.4176.1-65.8174.2000112.5I44 F274 P276 S281 L282 F283I44-I279 HydrophobicContact CG1-CD1 3.97Å; I44-I279 HydrophobicContact CG1-CG1 4.29Å; F274-I279 HydrophobicContact CE2-CD1 4.43Å; P276-I279 HydrophobicContact CB-CD1 4.1Å; P276-I279 WeakPolarHBondContact O-CB 3.45Å; P276-I279 WeakPolarHBondContact O-CG1 3.21Å; P276-I279 PolarHBondContact O-N 3.19Å; I279-S281 VanDerWaalsContact C-N 3.32Å; I279-S281 PolarHBondContact O-N 3.28Å; I279-L282 WeakPolarHBondContact O-CB 3.41Å; I279-L282 PolarHBondContact O-N 3.27Å; I279-F283 PolarHBondContact O-N 3.28Å
280P90.9Very high91.9Very high14 Ų1440.4 Ų40.49%0.09121%0.208CC..Hα-helixtrans-59.5-41.8178.3-24.935.7000112.8Q277 N278 F283 G284 I567 V568 D571Q277-P280 WeakPolarHBondContact O-CD 3.47Å; N278-P280 VanDerWaalsContact C-CD 3.44Å; P280-F283 PolarHBondContact O-N 3.32Å; P280-G284 PolarHBondContact O-N 3.1Å; P280-I567 HydrophobicContact CB-CG2 4.23Å; P280-I567 HydrophobicContact CG-CG2 3.82Å; P280-V568 HydrophobicContact CB-CB 4.44Å; P280-V568 HydrophobicContact CB-CG2 3.89Å; P280-V568 VanDerWaalsContact O-CG2 3.28Å; P280-V568 WeakPolarHBondContact O-CG2 3.33Å; P280-D571 HydrophobicContact CB-CB 3.72Å; P280-D571 HydrophobicContact CG-CB 3.91Å
281S89.5Confident92.1Very high15 Ų1531.5 Ų31.511%0.10517%0.17CC..Hα-helixtrans-63.4-45.9175.4-166.30000111.6N278 I279 F283 G284 V285N278-S281 PolarHBondContact O-N 3.29Å; I279-S281 VanDerWaalsContact C-N 3.32Å; I279-S281 PolarHBondContact O-N 3.28Å; S281-F283 PolarHBondContact O-N 3.13Å; S281-G284 PolarHBondContact O-N 2.9Å; S281-V285 PolarHBondContact O-N 3.47Å; S281-V285 VanDerWaalsContact O-N 3.11Å
282L94.3Very high92.2Very high0 Ų030 Ų300%016%0.16CC..Hα-helixtrans-59.2-43.8176.8175.571.4000112.3L33 A36 A40 V48 N278 I279 G284 V285 C286L33-L282 HydrophobicContact CD1-CD1 4.23Å; A36-L282 HydrophobicContact CB-CD1 4.21Å; A40-L282 HydrophobicContact CB-CB 3.95Å; A40-L282 HydrophobicContact CB-CD2 3.74Å; A40-L282 HydrophobicContact CB-CG 4.33Å; V48-L282 HydrophobicContact CB-CD2 3.82Å; V48-L282 HydrophobicContact CG1-CD2 3.74Å; V48-L282 HydrophobicContact CG1-CG 4.17Å; V48-L282 HydrophobicContact CG2-CD2 4.25Å; N278-L282 PolarHBondContact O-N 3.16Å; N278-L282 VanDerWaalsContact O-N 3.09Å; I279-L282 WeakPolarHBondContact O-CB 3.41Å; I279-L282 PolarHBondContact O-N 3.27Å; L282-G284 VanDerWaalsContact C-N 3.33Å; L282-G284 PolarHBondContact O-N 2.85Å; L282-V285 PolarHBondContact O-N 3.42Å; L282-C286 WeakPolarHBondContact O-CB 3.43Å; L282-C286 PolarHBondContact O-N 3.47Å; L282-C286 PolarHBondContact O-SG 3.19Å
283F94.4Very high92.4Very high10 Ų1028 Ų284%0.04415%0.147CC..Hα-helixtrans-55.6-50.8177.4168.3-96.4000110.6L52 I279 P280 S281 V285 C286 V287 A444 Y452 W560 C564 V568L52-F283 HydrophobicContact CD1-CD2 3.86Å; L52-F283 HydrophobicContact CD2-CD2 3.77Å; L52-F283 HydrophobicContact CD2-CE2 3.73Å; L52-F283 HydrophobicContact CG-CD2 4.5Å; I279-F283 PolarHBondContact O-N 3.28Å; P280-F283 PolarHBondContact O-N 3.32Å; S281-F283 PolarHBondContact O-N 3.13Å; F283-V285 PolarHBondContact O-N 2.85Å; F283-C286 PolarHBondContact O-N 2.88Å; F283-V287 HydrophobicContact CD1-CG2 4.27Å; F283-V287 HydrophobicContact CD2-CG2 4.12Å; F283-V287 HydrophobicContact CE1-CG2 3.83Å; F283-V287 HydrophobicContact CE2-CG2 3.65Å; F283-V287 HydrophobicContact CG-CG2 4.42Å; F283-V287 HydrophobicContact CZ-CG2 3.49Å; F283-V287 VanDerWaalsContact CZ-CG2 3.49Å; F283-V287 WeakPolarHBondContact O-CG2 3.25Å; F283-V287 PolarHBondContact O-N 3.44Å; F283-A444 HydrophobicContact CD1-CB 4.08Å; F283-A444 HydrophobicContact CE1-CB 4.19Å; F283-Y452 HydrophobicContact CE2-CE2 4.18Å; F283-Y452 AromaticContact CZ-CE2 3.99Å; F283-Y452 HydrophobicContact CZ-CE2 3.99Å; F283-W560 AromaticContact CE2-NE1 3.88Å; F283-C564 HydrophobicContact CD1-CB 3.94Å; F283-C564 HydrophobicContact CD2-CB 3.89Å; F283-C564 HydrophobicContact CE1-CB 3.47Å; F283-C564 VanDerWaalsContact CE1-CB 3.47Å; F283-C564 HydrophobicContact CE2-CB 3.43Å; F283-C564 VanDerWaalsContact CE2-CB 3.43Å; F283-C564 HydrophobicContact CG-CB 4.14Å; F283-C564 HydrophobicContact CZ-CB 3.19Å; F283-V568 HydrophobicContact CD1-CG2 3.79Å
284G94.5Very high92.5Very high0 Ų028.2 Ų28.20%014%0.14CC..Hα-helixtrans-58.3-46.6-18000000113.1P280 S281 L282 C286 V287 Y288 G440 G443P280-G284 PolarHBondContact O-N 3.1Å; S281-G284 PolarHBondContact O-N 2.9Å; L282-G284 VanDerWaalsContact C-N 3.33Å; L282-G284 PolarHBondContact O-N 2.85Å; G284-C286 PolarHBondContact O-N 3.46Å; G284-V287 PolarHBondContact O-N 2.94Å; G284-Y288 WeakPolarHBondContact O-CB 3.36Å; G284-Y288 PolarHBondContact O-N 3.44Å; G284-G440 WeakPolarHBondContact CA-O 3.48Å; G284-G443 WeakPolarHBondContact O-CA 3.45Å
285V95.7Very high92.4Very high1 Ų124 Ų241%0.00613%0.126CC..Hα-helixtrans-64.2-41.5178175.50000111.5T32 L33 A36 S281 L282 F283 Y288 V289 T439T32-V285 WeakPolarHBondContact OG1-CG1 3.23Å; L33-V285 HydrophobicContact CB-CG1 4.22Å; L33-V285 HydrophobicContact CD1-CG1 4.07Å; A36-V285 HydrophobicContact CB-CB 4.11Å; A36-V285 HydrophobicContact CB-CG1 4.23Å; A36-V285 HydrophobicContact CB-CG2 4Å; S281-V285 PolarHBondContact O-N 3.47Å; S281-V285 VanDerWaalsContact O-N 3.11Å; L282-V285 PolarHBondContact O-N 3.42Å; F283-V285 PolarHBondContact O-N 2.85Å; V285-Y288 WeakPolarHBondContact O-CB 3.39Å; V285-Y288 PolarHBondContact O-N 2.92Å; V285-V289 HydrophobicContact CG1-CG2 4.31Å; V285-V289 WeakPolarHBondContact O-CG2 3.29Å; V285-V289 PolarHBondContact O-N 3.37Å; V285-T439 HydrophobicContact CG1-CG2 4.41Å; V285-T439 HydrophobicContact CG2-CG2 4.2Å
286C96.1Very high92.3Very high0 Ų020.6 Ų20.60%011%0.11CC..Hα-helixtrans-65.4-41.9177.2-700000112.8L52 L282 F283 G284 Y288 V289 F290L52-C286 HydrophobicContact CB-CB 4.26Å; L52-C286 HydrophobicContact CD1-CB 3.26Å; L52-C286 HydrophobicContact CG-CB 4.39Å; L282-C286 WeakPolarHBondContact O-CB 3.43Å; L282-C286 PolarHBondContact O-N 3.47Å; L282-C286 PolarHBondContact O-SG 3.19Å; F283-C286 PolarHBondContact O-N 2.88Å; G284-C286 PolarHBondContact O-N 3.46Å; C286-Y288 VanDerWaalsContact C-N 3.29Å; C286-Y288 PolarHBondContact O-N 3.01Å; C286-V289 PolarHBondContact O-N 3.26Å; C286-F290 WeakPolarHBondContact O-CD2 3.29Å; C286-F290 PolarHBondContact O-N 3.31Å
287V95.5Very high92.5Very high0 Ų018 Ų180%09%0.094CC..Hα-helixtrans-58.3-48.4174173.40000109F283 G284 V289 F290 M291 G443 Q451 Y452F283-V287 HydrophobicContact CD1-CG2 4.27Å; F283-V287 HydrophobicContact CD2-CG2 4.12Å; F283-V287 HydrophobicContact CE1-CG2 3.83Å; F283-V287 HydrophobicContact CE2-CG2 3.65Å; F283-V287 HydrophobicContact CG-CG2 4.42Å; F283-V287 HydrophobicContact CZ-CG2 3.49Å; F283-V287 VanDerWaalsContact CZ-CG2 3.49Å; F283-V287 WeakPolarHBondContact O-CG2 3.25Å; F283-V287 PolarHBondContact O-N 3.44Å; G284-V287 PolarHBondContact O-N 2.94Å; V287-V289 VanDerWaalsContact C-N 3.35Å; V287-V289 PolarHBondContact O-N 2.98Å; V287-F290 PolarHBondContact O-N 3.42Å; V287-M291 WeakPolarHBondContact O-CB 3.45Å; V287-M291 PolarHBondContact O-N 3.32Å; V287-G443 WeakPolarHBondContact CG1-O 3.21Å; V287-Q451 HydrophobicContact CG1-CB 4.38Å; V287-Q451 PolarHBondContact O-OE1 3.13Å; V287-Y452 HydrophobicContact CG1-CE2 4.44Å; V287-Y452 HydrophobicContact CG2-CE2 3.71Å
288Y95.5Very high92.5Very high10 Ų1013.7 Ų13.74%0.0398%0.083CC..Hα-helixtrans-58.6-43.4177.2-170.2-97.2000113.2T28 G29 Y138 D142 I145 G284 V285 C286 F290 M291 T439 T442T28-Y288 WeakPolarHBondContact OG1-CE1 3.42Å; T28-Y288 PolarHBondContact OG1-OH 3.43Å; G29-Y288 VanDerWaalsContact CA-CD1 3.47Å; Y138-Y288 AromaticContact CE2-CD2 3.96Å; Y138-Y288 HydrophobicContact CE2-CD2 3.96Å; Y138-Y288 AromaticContact CE2-CE2 3.95Å; Y138-Y288 HydrophobicContact CE2-CE2 3.95Å; Y138-Y288 WeakPolarHBondContact OH-CE2 3.44Å; D142-Y288 WeakPolarHBondContact OD1-CE2 3.45Å; D142-Y288 PolarHBondContact OD1-OH 3.13Å; I145-Y288 HydrophobicContact CD1-CD2 4.34Å; I145-Y288 HydrophobicContact CD1-CE1 4.29Å; I145-Y288 HydrophobicContact CD1-CE2 3.66Å; G284-Y288 WeakPolarHBondContact O-CB 3.36Å; G284-Y288 PolarHBondContact O-N 3.44Å; V285-Y288 WeakPolarHBondContact O-CB 3.39Å; V285-Y288 PolarHBondContact O-N 2.92Å; C286-Y288 VanDerWaalsContact C-N 3.29Å; C286-Y288 PolarHBondContact O-N 3.01Å; Y288-F290 PolarHBondContact O-N 3.06Å; Y288-M291 PolarHBondContact O-N 3.38Å; Y288-T439 HydrophobicContact CD1-CG2 3.32Å; Y288-T439 HydrophobicContact CD2-CG2 4.36Å; Y288-T439 HydrophobicContact CE1-CG2 3.97Å; Y288-T439 HydrophobicContact CG-CG2 3.55Å; Y288-T442 HydrophobicContact CD2-CG2 4.23Å; Y288-T442 HydrophobicContact CE2-CG2 4.18Å
289V96.1Very high92.4Very high0 Ų011.9 Ų11.90%07%0.074CC..Hα-helixtrans-62.3-37.5177.3167.90000112.9I25 L33 V285 C286 V287 N325I25-V289 CarbonylContact C-O 3.56Å; I25-V289 WeakPolarHBondContact CG2-O 3.45Å; L33-V289 HydrophobicContact CB-CG2 4.19Å; L33-V289 HydrophobicContact CD2-CG2 4.5Å; V285-V289 HydrophobicContact CG1-CG2 4.31Å; V285-V289 WeakPolarHBondContact O-CG2 3.29Å; V285-V289 PolarHBondContact O-N 3.37Å; C286-V289 PolarHBondContact O-N 3.26Å; V287-V289 VanDerWaalsContact C-N 3.35Å; V287-V289 PolarHBondContact O-N 2.98Å; V289-N325 WeakPolarHBondContact CG1-OD1 3.37Å
290F96Very high92.4Very high0 Ų09.7 Ų9.70%06%0.062CC..Hα-helixtrans-95.51.1-176.7-67.5-64.1000113.6I25 V49 L52 C53 S56 C286 V287 Y288 C292 V321I25-F290 HydrophobicContact CG2-CD1 4.34Å; V49-F290 HydrophobicContact CG1-CE2 4.09Å; V49-F290 HydrophobicContact CG1-CZ 3.94Å; L52-F290 HydrophobicContact CB-CD2 4.47Å; C53-F290 HydrophobicContact CB-CD1 4.3Å; C53-F290 HydrophobicContact CB-CD2 4.39Å; C53-F290 HydrophobicContact CB-CE1 3.74Å; C53-F290 HydrophobicContact CB-CE2 3.87Å; C53-F290 HydrophobicContact CB-CZ 3.52Å; S56-F290 PolarHBondContact OG-O 3.07Å; C286-F290 WeakPolarHBondContact O-CD2 3.29Å; C286-F290 PolarHBondContact O-N 3.31Å; V287-F290 PolarHBondContact O-N 3.42Å; Y288-F290 PolarHBondContact O-N 3.06Å; F290-C292 PolarHBondContact O-N 3.27Å; F290-V321 HydrophobicContact CD1-CG1 4.14Å; F290-V321 HydrophobicContact CE1-CG1 3.8Å
291M92.7Very high92.4Very high9 Ų99.2 Ų9.24%0.0446%0.059CC..  trans-76.8123.3-174.9-162.3-135.863.900111.3Y138 V287 Y288 H294 I450 Q451Y138-M291 HydrophobicContact CD1-CE 4.44Å; Y138-M291 HydrophobicContact CD1-SD 4.14Å; Y138-M291 HydrophobicContact CD2-SD 3.85Å; Y138-M291 HydrophobicContact CE1-CE 3.55Å; Y138-M291 HydrophobicContact CE1-SD 3.66Å; Y138-M291 HydrophobicContact CE2-CE 4.05Å; Y138-M291 HydrophobicContact CE2-SD 3.29Å; Y138-M291 WeakPolarHBondContact CE2-SD 3.46Å; Y138-M291 HydrophobicContact CG-SD 4.25Å; Y138-M291 WeakPolarHBondContact OH-CE 3.46Å; V287-M291 WeakPolarHBondContact O-CB 3.45Å; V287-M291 PolarHBondContact O-N 3.32Å; Y288-M291 PolarHBondContact O-N 3.38Å; M291-H294 WeakPolarHBondContact CE-CE1 3.43Å; M291-H294 WeakPolarHBondContact CE-ND1 3.37Å; M291-I450 HydrophobicContact CG-CG2 4.32Å; M291-I450 HydrophobicContact SD-CB 4.22Å; M291-I450 HydrophobicContact SD-CD1 4.21Å; M291-I450 HydrophobicContact SD-CG2 3.9Å; M291-Q451 HydrophobicContact CG-CB 4.41Å
292C92.8Very high92.4Very high0 Ų09.5 Ų9.50%06%0.061CC..  trans-144.9-1.9171.359.50000113.6I24 I25 F290 H294 S295 I296I24-C292 HydrophobicContact CG2-CB 4.04Å; I25-C292 HydrophobicContact CG1-CB 3.75Å; F290-C292 PolarHBondContact O-N 3.27Å; C292-H294 PolarHBondContact O-N 2.87Å; C292-S295 PolarHBondContact O-N 2.78Å; C292-I296 PolarHBondContact O-N 3.06Å
293H94.3Very high92.1Very high0 Ų09.7 Ų9.70%06%0.062CC..G310 helixtrans-60.2-39.1-162-63.457.1000114.8S56 T59 F60 V63 S295 I296 I450 P455S56-H293 PolarHBondContact O-NE2 3.19Å; S56-H293 PolarHBondContact OG-CE1 2.89Å; T59-H293 PolarHBondContact OG1-NE2 3.01Å; F60-H293 PolarHBondContact N-NE2 3.37Å; F60-H293 VanDerWaalsContact N-NE2 3.12Å; V63-H293 HydrophobicContact CG2-CB 4.18Å; H293-S295 PolarHBondContact O-N 2.86Å; H293-I296 HydrophobicContact CB-CD1 4.27Å; H293-I296 PolarHBondContact O-N 3.38Å; H293-I450 HydrophobicContact CB-CG2 4.15Å; H293-P455 HydrophobicContact CB-CG 4.39Å
294H90.7Very high91.6Very high50 Ų5016 Ų1623%0.2319%0.086CC..G310 helixtrans-67.7-22.9178.578.6-91.6000113.2L115 M291 C292 I450L115-H294 HydrophobicContact CD2-CB 4.13Å; M291-H294 WeakPolarHBondContact CE-CE1 3.43Å; M291-H294 WeakPolarHBondContact CE-ND1 3.37Å; C292-H294 PolarHBondContact O-N 2.87Å; H294-I450 HydrophobicContact CB-CG2 3.95Å
295S89.6Confident90.9Very high38 Ų3820.6 Ų20.627%0.26611%0.11SC..G310 helixtrans-98.2-10.6-177.4-77.70000113.6C292 H293 G298 I299C292-S295 PolarHBondContact O-N 2.78Å; H293-S295 PolarHBondContact O-N 2.86Å; S295-G298 PolarHBondContact O-N 3.14Å; S295-G298 VanDerWaalsContact O-N 3.1Å; S295-I299 PolarHBondContact O-N 3.5Å
296I90.2Very high90.5Very high0 Ų021.4 Ų21.40%011%0.114CC..Hα-helixtrans-49.6-50.9-176.8-67.5174.3000112.5F60 V63 I64 C292 H293 G298 I299 V300F60-I296 HydrophobicContact CB-CD1 4.4Å; F60-I296 HydrophobicContact CD2-CD1 3.22Å; F60-I296 HydrophobicContact CD2-CG1 3.85Å; F60-I296 HydrophobicContact CE2-CD1 3.41Å; F60-I296 VanDerWaalsContact CE2-CD1 3.41Å; F60-I296 HydrophobicContact CE2-CG1 3.54Å; F60-I296 HydrophobicContact CE2-CG2 4.41Å; F60-I296 HydrophobicContact CG-CD1 3.83Å; F60-I296 HydrophobicContact CZ-CD1 4.16Å; F60-I296 HydrophobicContact CZ-CG1 4.29Å; F60-I296 HydrophobicContact CZ-CG2 4.35Å; V63-I296 HydrophobicContact CB-CD1 3.92Å; V63-I296 HydrophobicContact CG1-CB 4.22Å; V63-I296 HydrophobicContact CG1-CD1 4.04Å; V63-I296 HydrophobicContact CG1-CG2 4.33Å; V63-I296 HydrophobicContact CG2-CD1 4.29Å; I64-I296 HydrophobicContact CD1-CG2 3.37Å; I64-I296 HydrophobicContact CG1-CG2 4.21Å; C292-I296 PolarHBondContact O-N 3.06Å; H293-I296 HydrophobicContact CB-CD1 4.27Å; H293-I296 PolarHBondContact O-N 3.38Å; I296-G298 PolarHBondContact O-N 3.17Å; I296-I299 PolarHBondContact O-N 3.35Å; I296-I299 VanDerWaalsContact O-N 3.07Å; I296-V300 HydrophobicContact CG2-CB 4.42Å; I296-V300 HydrophobicContact CG2-CG2 3.85Å; I296-V300 PolarHBondContact O-N 3.38Å
297P89.1Confident89.8Confident2 Ų224.4 Ų24.41%0.01314%0.135CC..Hα-helixtrans-62.3-32.8-175.7-22.534.6000113L67 Y113 M118 I299 T301L67-P297 HydrophobicContact CD1-CB 4.44Å; L67-P297 HydrophobicContact CD2-CB 3.99Å; L67-P297 HydrophobicContact CD2-CG 4.29Å; Y113-P297 WeakPolarHBondContact O-CB 3.1Å; Y113-P297 VanDerWaalsContact O-CG 3.3Å; Y113-P297 WeakPolarHBondContact O-CG 3.46Å; M118-P297 HydrophobicContact CE-CG 4.07Å; P297-I299 VanDerWaalsContact C-N 3.26Å; P297-I299 PolarHBondContact O-N 2.98Å; P297-T301 WeakPolarHBondContact O-CB 3.33Å; P297-T301 PolarHBondContact O-N 3.34Å; P297-T301 PolarHBondContact O-OG1 3.37Å
298G85.8Confident89.2Confident37 Ų3732.1 Ų32.138%0.38117%0.168SC..Hα-helixtrans-66.8-26.6177.900000113.9S295 I296 P302S295-G298 PolarHBondContact O-N 3.14Å; S295-G298 VanDerWaalsContact O-N 3.1Å; I296-G298 PolarHBondContact O-N 3.17Å; G298-P302 WeakPolarHBondContact O-CD 3.01Å; G298-P302 WeakPolarHBondContact O-CG 3.28Å
299I87Confident88.9Confident13 Ų1331.9 Ų31.97%0.06717%0.168CC..Hα-helixtrans-99.7-37.8-175.7-52155.3000111Y12 F20 L21 I24 S295 I296 P297 V303Y12-I299 WeakPolarHBondContact OH-CA 3.49Å; Y12-I299 WeakPolarHBondContact OH-CG2 3.45Å; Y12-I299 PolarHBondContact OH-O 3.43Å; F20-I299 HydrophobicContact CB-CG2 4.01Å; L21-I299 HydrophobicContact CD1-CD1 4.26Å; I24-I299 HydrophobicContact CB-CD1 4.41Å; I24-I299 HydrophobicContact CD1-CD1 3.26Å; I24-I299 HydrophobicContact CD1-CG1 3.74Å; I24-I299 HydrophobicContact CG1-CD1 4.38Å; I24-I299 HydrophobicContact CG2-CD1 4.32Å; S295-I299 PolarHBondContact O-N 3.5Å; I296-I299 PolarHBondContact O-N 3.35Å; I296-I299 VanDerWaalsContact O-N 3.07Å; P297-I299 VanDerWaalsContact C-N 3.26Å; P297-I299 PolarHBondContact O-N 2.98Å; I299-V303 WeakPolarHBondContact O-CG2 3.36Å
300V89.3Confident88.6Confident4 Ų434.3 Ų34.32%0.02418%0.18CC..Hα-helixtrans-82.7-38.2-171.7174.70000112.1I64 I109 I296 V303 K306 I309 F314I64-V300 HydrophobicContact CD1-CB 4.25Å; I64-V300 HydrophobicContact CD1-CG1 3.98Å; I64-V300 HydrophobicContact CD1-CG2 3.94Å; I109-V300 HydrophobicContact CD1-CG1 4.29Å; I296-V300 HydrophobicContact CG2-CB 4.42Å; I296-V300 HydrophobicContact CG2-CG2 3.85Å; I296-V300 PolarHBondContact O-N 3.38Å; V300-V303 WeakPolarHBondContact O-CB 3.38Å; V300-V303 PolarHBondContact O-N 2.87Å; V300-V303 VanDerWaalsContact O-N 3.15Å; V300-K306 WeakPolarHBondContact O-CE 3.48Å; V300-I309 HydrophobicContact CG1-CD1 4Å; V300-F314 HydrophobicContact CG1-CZ 3.95Å; V300-F314 HydrophobicContact CG2-CE1 3.87Å; V300-F314 HydrophobicContact CG2-CZ 3.94Å
301T90.8Very high88.3Confident4 Ų438.1 Ų38.13%0.02521%0.206CC..THydrogen-bonded Turntrans-54.8-47.4179.7-55.70000113.5V8 I109 T110 K112 P297 V303 K306V8-T301 HydrophobicContact CG2-CG2 3.95Å; I109-T301 HydrophobicContact CG2-CG2 4.19Å; I109-T301 WeakPolarHBondContact CG2-OG1 3.28Å; T110-T301 WeakPolarHBondContact O-CG2 3.5Å; K112-T301 HydrophobicContact CB-CG2 4.04Å; P297-T301 WeakPolarHBondContact O-CB 3.33Å; P297-T301 PolarHBondContact O-N 3.34Å; P297-T301 PolarHBondContact O-OG1 3.37Å; T301-V303 VanDerWaalsContact C-N 3.25Å; T301-V303 PolarHBondContact O-N 2.84Å; T301-K306 VanDerWaalsContact O-CE 3.25Å; T301-K306 WeakPolarHBondContact O-CE 3.47Å; T301-K306 PolarHBondContact O-NZ 3.11Å
302P89.3Confident88.2Confident21 Ų2143.9 Ų43.914%0.13623%0.228CC..THydrogen-bonded Turntrans-74.2-0.6179.429.5-37.7000116.3V8 G11 Y12 G298 R304V8-P302 HydrophobicContact CG1-CB 3.58Å; G11-P302 CarbonylContact C-O 3.36Å; G11-P302 WeakPolarHBondContact CA-O 3.45Å; Y12-P302 HydrophobicContact CD1-CB 4.06Å; Y12-P302 HydrophobicContact CD1-CG 4.29Å; Y12-P302 HydrophobicContact CE1-CB 3.65Å; Y12-P302 HydrophobicContact CE1-CG 3.39Å; Y12-P302 PolarHBondContact N-O 3.19Å; Y12-P302 WeakPolarHBondContact OH-CG 3.46Å; G298-P302 WeakPolarHBondContact O-CD 3.01Å; G298-P302 WeakPolarHBondContact O-CG 3.28Å; P302-R304 PolarHBondContact O-N 2.86Å
303V88.9Confident88.2Confident5 Ų544.1 Ų44.13%0.0323%0.229CC..BIsolated β-bridgetrans-68.6125.8176.1175.90000110.3Y12 I299 V300 T301 K306 I309 I313Y12-V303 HydrophobicContact CD2-CG2 4.26Å; Y12-V303 HydrophobicContact CE2-CB 4.49Å; Y12-V303 HydrophobicContact CE2-CG2 3.56Å; I299-V303 WeakPolarHBondContact O-CG2 3.36Å; V300-V303 WeakPolarHBondContact O-CB 3.38Å; V300-V303 PolarHBondContact O-N 2.87Å; V300-V303 VanDerWaalsContact O-N 3.15Å; T301-V303 VanDerWaalsContact C-N 3.25Å; T301-V303 PolarHBondContact O-N 2.84Å; V303-K306 VanDerWaalsContact O-CE 3.3Å; V303-K306 WeakPolarHBondContact O-CE 3.5Å; V303-K306 PolarHBondContact O-NZ 3.35Å; V303-K306 VanDerWaalsContact O-NZ 3.1Å; V303-I309 HydrophobicContact CB-CD1 4.32Å; V303-I309 HydrophobicContact CG1-CD1 4.06Å; V303-I313 HydrophobicContact CG1-CD1 3.98Å
304R83.2Confident88.2Confident142 Ų14244.3 Ų44.354%0.53623%0.229SC..SBendtrans-72.7145.3169.6-64.6-175.2-172.5172.711.6110.6G11 Y12 P302G11-R304 PolarHBondContact O-NE 3.21Å; G11-R304 PolarHBondContact O-NH2 2.74Å; Y12-R304 WeakPolarHBondContact O-CB 3.44Å; Y12-R304 WeakPolarHBondContact O-CG 3.46Å; Y12-R304 PolarHBondContact O-N 2.85Å; P302-R304 PolarHBondContact O-N 2.86Å
305N81.2Confident88.4Confident97 Ų9744.9 Ų44.952%0.51923%0.234SC..  trans51.986.3178.9-173.4-5.2000112.8S307N305-S307 VanDerWaalsContact C-N 3.27Å; N305-S307 PolarHBondContact O-N 3.14Å; N305-S307 WeakPolarHBondContact OD1-CB 3.37Å; N305-S307 PolarHBondContact OD1-N 3.35Å
306K86.1Confident88.7Confident17 Ų1745 Ų457%0.07423%0.234CC..  trans-86.75.5-178.2-57.4-174.1179.781.90113.4I109 V300 T301 V303 K308 I309I109-K306 HydrophobicContact CB-CD 4.19Å; I109-K306 WeakPolarHBondContact O-CE 3.43Å; I109-K306 PolarHBondContact O-NZ 3.1Å; V300-K306 WeakPolarHBondContact O-CE 3.48Å; T301-K306 VanDerWaalsContact O-CE 3.25Å; T301-K306 WeakPolarHBondContact O-CE 3.47Å; T301-K306 PolarHBondContact O-NZ 3.11Å; V303-K306 VanDerWaalsContact O-CE 3.3Å; V303-K306 WeakPolarHBondContact O-CE 3.5Å; V303-K306 PolarHBondContact O-NZ 3.35Å; V303-K306 VanDerWaalsContact O-NZ 3.1Å; K306-K308 PolarHBondContact O-N 2.91Å; K306-I309 HydrophobicContact CG-CD1 4.38Å; K306-I309 WeakPolarHBondContact O-CB 3.45Å; K306-I309 PolarHBondContact O-N 3.04Å; K306-I309 VanDerWaalsContact O-N 3.16Å
307S81.2Confident89Confident64 Ų6445 Ų4545%0.44823%0.234SC..THydrogen-bonded Turntrans-61.5121176.3-173.40000110.2N305 I309N305-S307 VanDerWaalsContact C-N 3.27Å; N305-S307 PolarHBondContact O-N 3.14Å; N305-S307 WeakPolarHBondContact OD1-CB 3.37Å; N305-S307 PolarHBondContact OD1-N 3.35Å; S307-I309 PolarHBondContact O-N 3.41Å
308K83.5Confident89.4Confident162 Ų16245.3 Ų45.370%0.70424%0.235SC*.THydrogen-bonded Turntrans56.133.4-177.5-53.2-179.5-179.1-1800113.7K306 L310 C311 R312K306-K308 PolarHBondContact O-N 2.91Å; K308-L310 PolarHBondContact O-N 3.16Å; K308-L310 VanDerWaalsContact O-N 3.13Å; K308-C311 PolarHBondContact O-N 3.29Å; K308-R312 PolarHBondContact O-N 2.59Å
309I89.3Confident89.9Confident5 Ų548.1 Ų48.13%0.02624%0.24CC..Hα-helixtrans-54.4-32.2179.7-167.2168.5000113.2V300 V303 K306 S307 R312 I313 F314V300-I309 HydrophobicContact CG1-CD1 4Å; V303-I309 HydrophobicContact CB-CD1 4.32Å; V303-I309 HydrophobicContact CG1-CD1 4.06Å; K306-I309 HydrophobicContact CG-CD1 4.38Å; K306-I309 WeakPolarHBondContact O-CB 3.45Å; K306-I309 PolarHBondContact O-N 3.04Å; K306-I309 VanDerWaalsContact O-N 3.16Å; S307-I309 PolarHBondContact O-N 3.41Å; I309-R312 PolarHBondContact O-N 3.37Å; I309-I313 HydrophobicContact CD1-CD1 4.24Å; I309-I313 HydrophobicContact CG1-CB 4.29Å; I309-I313 HydrophobicContact CG1-CD1 3.88Å; I309-I313 HydrophobicContact CG1-CG1 4.23Å; I309-I313 PolarHBondContact O-N 2.75Å; I309-F314 HydrophobicContact CB-CE2 4.49Å; I309-F314 HydrophobicContact CB-CZ 4.44Å; I309-F314 HydrophobicContact CD1-CE1 4.03Å; I309-F314 HydrophobicContact CD1-CZ 3.69Å; I309-F314 HydrophobicContact CG1-CE1 3.91Å; I309-F314 HydrophobicContact CG1-CE2 4.17Å; I309-F314 HydrophobicContact CG1-CZ 3.68Å; I309-F314 HydrophobicContact CG2-CE2 3.75Å; I309-F314 HydrophobicContact CG2-CZ 4Å; I309-F314 PolarHBondContact O-N 3.05Å
310L89.3Confident90.4Very high50 Ų5050.2 Ų50.226%0.26225%0.253SS..Iπ-helixtrans-56.1-52.4174.1-175.568.5000112.1F57 T61 K308 F314 I315F57-L310 HydrophobicContact CE2-CD1 4.07Å; F57-L310 HydrophobicContact CZ-CD1 3.77Å; T61-L310 HydrophobicContact CG2-CD1 3.97Å; K308-L310 PolarHBondContact O-N 3.16Å; K308-L310 VanDerWaalsContact O-N 3.13Å; L310-F314 HydrophobicContact CB-CD2 4.34Å; L310-F314 HydrophobicContact CD1-CB 4.2Å; L310-F314 HydrophobicContact CD1-CD2 3.93Å; L310-F314 PolarHBondContact O-N 2.88Å; L310-I315 HydrophobicContact CG-CD1 4.17Å; L310-I315 HydrophobicContact CG-CG1 4.43Å; L310-I315 PolarHBondContact O-N 3.02Å
311C90.8Very high90.7Very high81 Ų8150 Ų5055%0.54725%0.252SS..Iπ-helixtrans-78.3-30-178.4-570000112.7K308 P316K308-C311 PolarHBondContact O-N 3.29Å; C311-P316 VanDerWaalsContact O-CD 3.24Å; C311-P316 WeakPolarHBondContact O-CD 3.28Å; C311-P316 WeakPolarHBondContact O-CG 3.45Å
312R90Very high91Very high130 Ų13051.4 Ų51.449%0.49126%0.259SS..Iπ-helixtrans-83.4-31.9-176.2-69.3-177.870.8-176.83.2113.9K308 I309K308-R312 PolarHBondContact O-N 2.59Å; I309-R312 PolarHBondContact O-N 3.37Å
313I92.7Very high91.4Very high4 Ų453.6 Ų53.62%0.02128%0.275CS..Iπ-helixtrans-124-60.3-174.6-56.1-177.1000110.4S14 F18 L21 V303 I309 P316 V317S14-I313 WeakPolarHBondContact O-CD1 3.41Å; F18-I313 HydrophobicContact CB-CG2 4.31Å; L21-I313 HydrophobicContact CD2-CG2 4.4Å; V303-I313 HydrophobicContact CG1-CD1 3.98Å; I309-I313 HydrophobicContact CD1-CD1 4.24Å; I309-I313 HydrophobicContact CG1-CB 4.29Å; I309-I313 HydrophobicContact CG1-CD1 3.88Å; I309-I313 HydrophobicContact CG1-CG1 4.23Å; I309-I313 PolarHBondContact O-N 2.75Å; I313-P316 WeakPolarHBondContact O-CD 3.1Å; I313-V317 HydrophobicContact CG2-CG2 4.02Å; I313-V317 WeakPolarHBondContact O-CB 3.36Å; I313-V317 VanDerWaalsContact O-CG2 3.22Å; I313-V317 WeakPolarHBondContact O-CG2 3.44Å; I313-V317 PolarHBondContact O-N 3.2Å
314F94Very high91.7Very high4 Ų454.7 Ų54.72%0.01828%0.28CS..Iπ-helixtrans-64.6-52.2-164.8-53.7-27000112.7L21 F57 F60 I64 V300 I309 L310 V317 F318L21-F314 HydrophobicContact CD2-CD1 4.03Å; F57-F314 HydrophobicContact CE2-CB 4.17Å; F60-F314 HydrophobicContact CD1-CD2 4.43Å; F60-F314 HydrophobicContact CD1-CG 4.41Å; F60-F314 HydrophobicContact CE1-CB 4.06Å; F60-F314 AromaticContact CE1-CD1 3.62Å; F60-F314 HydrophobicContact CE1-CD1 3.62Å; F60-F314 AromaticContact CE1-CD2 3.61Å; F60-F314 HydrophobicContact CE1-CD2 3.61Å; F60-F314 AromaticContact CE1-CE1 3.89Å; F60-F314 HydrophobicContact CE1-CE1 3.89Å; F60-F314 AromaticContact CE1-CE2 3.87Å; F60-F314 HydrophobicContact CE1-CE2 3.87Å; F60-F314 AromaticContact CE1-CG 3.5Å; F60-F314 HydrophobicContact CE1-CG 3.5Å; F60-F314 VanDerWaalsContact CE1-CG 3.5Å; F60-F314 HydrophobicContact CE1-CZ 4Å; F60-F314 AromaticContact CZ-CD1 3.72Å; F60-F314 HydrophobicContact CZ-CD1 3.72Å; F60-F314 HydrophobicContact CZ-CD2 4.49Å; F60-F314 AromaticContact CZ-CE1 3.83Å; F60-F314 HydrophobicContact CZ-CE1 3.83Å; F60-F314 HydrophobicContact CZ-CG 4.09Å; F60-F314 HydrophobicContact CZ-CZ 4.26Å; I64-F314 HydrophobicContact CD1-CE2 3.95Å; I64-F314 HydrophobicContact CD1-CZ 3.77Å; I64-F314 HydrophobicContact CG1-CE2 3.96Å; I64-F314 HydrophobicContact CG1-CZ 4.28Å; I64-F314 HydrophobicContact CG2-CE2 4.23Å; V300-F314 HydrophobicContact CG1-CZ 3.95Å; V300-F314 HydrophobicContact CG2-CE1 3.87Å; V300-F314 HydrophobicContact CG2-CZ 3.94Å; I309-F314 HydrophobicContact CB-CE2 4.49Å; I309-F314 HydrophobicContact CB-CZ 4.44Å; I309-F314 HydrophobicContact CD1-CE1 4.03Å; I309-F314 HydrophobicContact CD1-CZ 3.69Å; I309-F314 HydrophobicContact CG1-CE1 3.91Å; I309-F314 HydrophobicContact CG1-CE2 4.17Å; I309-F314 HydrophobicContact CG1-CZ 3.68Å; I309-F314 HydrophobicContact CG2-CE2 3.75Å; I309-F314 HydrophobicContact CG2-CZ 4Å; I309-F314 PolarHBondContact O-N 3.05Å; L310-F314 HydrophobicContact CB-CD2 4.34Å; L310-F314 HydrophobicContact CD1-CB 4.2Å; L310-F314 HydrophobicContact CD1-CD2 3.93Å; L310-F314 PolarHBondContact O-N 2.88Å; F314-V317 PolarHBondContact O-N 3.37Å; F314-F318 WeakPolarHBondContact O-CD2 3.42Å; F314-F318 PolarHBondContact O-N 2.89Å; F314-F318 VanDerWaalsContact O-N 3.1Å
315I95.4Very high92.4Very high62 Ų6248 Ų4832%0.31825%0.254SS..Hα-helixtrans-59.6-52.4177.9-68.6169.5000111.2F57 L310 V317 F318 I319F57-I315 HydrophobicContact CE1-CG1 4.48Å; F57-I315 HydrophobicContact CE2-CG1 3.85Å; F57-I315 HydrophobicContact CZ-CD1 4.33Å; F57-I315 HydrophobicContact CZ-CG1 3.53Å; L310-I315 HydrophobicContact CG-CD1 4.17Å; L310-I315 HydrophobicContact CG-CG1 4.43Å; L310-I315 PolarHBondContact O-N 3.02Å; I315-V317 VanDerWaalsContact C-N 3.32Å; I315-V317 PolarHBondContact O-N 3.43Å; I315-F318 PolarHBondContact O-N 2.94Å; I315-I319 HydrophobicContact CG2-CD1 3.64Å; I315-I319 HydrophobicContact CG2-CG1 4.38Å; I315-I319 WeakPolarHBondContact O-CG1 3.19Å; I315-I319 PolarHBondContact O-N 2.88Å
316P96.3Very high93.1Very high41 Ų4145.2 Ų45.227%0.26624%0.239SC..Hα-helixtrans-55.9-40.8176-29.135.8000114.4F18 C311 I313 I319 T320F18-P316 HydrophobicContact CD2-CB 4.46Å; F18-P316 HydrophobicContact CE2-CB 3.94Å; C311-P316 VanDerWaalsContact O-CD 3.24Å; C311-P316 WeakPolarHBondContact O-CD 3.28Å; C311-P316 WeakPolarHBondContact O-CG 3.45Å; I313-P316 WeakPolarHBondContact O-CD 3.1Å; P316-I319 PolarHBondContact O-N 3.45Å; P316-T320 VanDerWaalsContact O-CB 3.31Å; P316-T320 WeakPolarHBondContact O-CB 3.45Å; P316-T320 PolarHBondContact O-N 2.56Å; P316-T320 PolarHBondContact O-OG1 3.27Å
317V95.7Very high93.6Very high0 Ų048.3 Ų48.30%026%0.256CS..Hα-helixtrans-62.7-50179.3169.90000110.2F18 L21 I25 I313 F314 I315 I319 T320 V321F18-V317 HydrophobicContact CB-CG2 4.28Å; F18-V317 HydrophobicContact CD1-CG2 4.45Å; F18-V317 HydrophobicContact CD2-CB 4.35Å; F18-V317 HydrophobicContact CD2-CG2 3.16Å; F18-V317 HydrophobicContact CE2-CB 4.18Å; F18-V317 HydrophobicContact CE2-CG2 3.39Å; F18-V317 HydrophobicContact CG-CG2 3.73Å; F18-V317 HydrophobicContact CZ-CG2 4.14Å; L21-V317 HydrophobicContact CB-CG1 4.36Å; L21-V317 HydrophobicContact CB-CG2 4.39Å; L21-V317 HydrophobicContact CD2-CB 4.2Å; L21-V317 HydrophobicContact CD2-CG1 4.04Å; L21-V317 HydrophobicContact CD2-CG2 4.17Å; L21-V317 HydrophobicContact CG-CG1 3.96Å; I25-V317 HydrophobicContact CD1-CG1 3.7Å; I313-V317 HydrophobicContact CG2-CG2 4.02Å; I313-V317 WeakPolarHBondContact O-CB 3.36Å; I313-V317 VanDerWaalsContact O-CG2 3.22Å; I313-V317 WeakPolarHBondContact O-CG2 3.44Å; I313-V317 PolarHBondContact O-N 3.2Å; F314-V317 PolarHBondContact O-N 3.37Å; I315-V317 VanDerWaalsContact C-N 3.32Å; I315-V317 PolarHBondContact O-N 3.43Å; V317-I319 PolarHBondContact O-N 2.88Å; V317-T320 PolarHBondContact O-N 3.42Å; V317-V321 HydrophobicContact CG1-CG2 4.08Å; V317-V321 WeakPolarHBondContact O-CB 3.35Å; V317-V321 VanDerWaalsContact O-CG2 3.26Å; V317-V321 WeakPolarHBondContact O-CG2 3.48Å; V317-V321 PolarHBondContact O-N 2.9Å
318F97.2Very high94.4Very high8 Ų845.3 Ų45.34%0.03524%0.235CC..Hα-helixtrans-64.1-39.8-179.1-86.9-93.8000112.4I25 F57 F60 F314 I315 V321 L322I25-F318 HydrophobicContact CD1-CE2 4.16Å; I25-F318 HydrophobicContact CD1-CZ 4.27Å; F57-F318 HydrophobicContact CB-CD1 3.78Å; F57-F318 HydrophobicContact CB-CD2 4.39Å; F57-F318 HydrophobicContact CB-CE1 3.94Å; F57-F318 HydrophobicContact CB-CG 4.01Å; F57-F318 HydrophobicContact CB-CZ 4.3Å; F57-F318 HydrophobicContact CD2-CB 4.33Å; F57-F318 AromaticContact CD2-CD2 3.67Å; F57-F318 HydrophobicContact CD2-CD2 3.67Å; F57-F318 HydrophobicContact CD2-CE2 4.04Å; F57-F318 AromaticContact CD2-CG 3.92Å; F57-F318 HydrophobicContact CD2-CG 3.92Å; F57-F318 HydrophobicContact CG-CG 4.4Å; F60-F318 HydrophobicContact CB-CE2 4.2Å; F60-F318 HydrophobicContact CB-CZ 3.97Å; F60-F318 HydrophobicContact CD1-CE2 4.34Å; F60-F318 AromaticContact CD2-CE2 3.82Å; F60-F318 HydrophobicContact CD2-CE2 3.82Å; F60-F318 AromaticContact CD2-CZ 3.95Å; F60-F318 HydrophobicContact CD2-CZ 3.95Å; F60-F318 HydrophobicContact CE2-CE2 4.29Å; F60-F318 AromaticContact CG-CE2 3.87Å; F60-F318 HydrophobicContact CG-CE2 3.87Å; F60-F318 HydrophobicContact CG-CZ 4.06Å; F314-F318 WeakPolarHBondContact O-CD2 3.42Å; F314-F318 PolarHBondContact O-N 2.89Å; F314-F318 VanDerWaalsContact O-N 3.1Å; I315-F318 PolarHBondContact O-N 2.94Å; F318-V321 PolarHBondContact O-N 2.89Å; F318-L322 VanDerWaalsContact O-CB 3.25Å; F318-L322 WeakPolarHBondContact O-CB 3.22Å; F318-L322 PolarHBondContact O-N 3.38Å
319I97.5Very high95Very high97 Ų9737.6 Ų37.650%0.49720%0.202SC..Hα-helixtrans-61.9-43.9173.7-68.1171.9000111I315 P316 V317 L322 S323I315-I319 HydrophobicContact CG2-CD1 3.64Å; I315-I319 HydrophobicContact CG2-CG1 4.38Å; I315-I319 WeakPolarHBondContact O-CG1 3.19Å; I315-I319 PolarHBondContact O-N 2.88Å; P316-I319 PolarHBondContact O-N 3.45Å; V317-I319 PolarHBondContact O-N 2.88Å; I319-L322 PolarHBondContact O-N 2.88Å; I319-S323 WeakPolarHBondContact O-CB 3.28Å; I319-S323 PolarHBondContact O-N 3.34Å; I319-S323 PolarHBondContact O-OG 3.42Å
320T96.1Very high95.4Very high56 Ų5640.1 Ų40.134%0.34422%0.217SC..Hα-helixtrans-65.1-45.9179.3-55.20000110.9F18 F22 P316 V317 S323 F324F18-T320 HydrophobicContact CZ-CG2 4.37Å; F22-T320 HydrophobicContact CD2-CG2 4.17Å; F22-T320 HydrophobicContact CE2-CG2 3.85Å; P316-T320 VanDerWaalsContact O-CB 3.31Å; P316-T320 WeakPolarHBondContact O-CB 3.45Å; P316-T320 PolarHBondContact O-N 2.56Å; P316-T320 PolarHBondContact O-OG1 3.27Å; V317-T320 PolarHBondContact O-N 3.42Å; T320-S323 PolarHBondContact O-N 3.49Å; T320-F324 WeakPolarHBondContact O-CB 3.26Å; T320-F324 PolarHBondContact O-N 2.95Å
321V96Very high95.7Very high0 Ų038.1 Ų38.10%021%0.207CC..Hα-helixtrans-63.7-43.6178.11720000111.1F22 I25 V26 F290 V317 F318 F324 N325F22-V321 HydrophobicContact CD2-CG2 3.61Å; F22-V321 HydrophobicContact CE2-CG2 3.94Å; F22-V321 HydrophobicContact CG-CG2 4.49Å; I25-V321 HydrophobicContact CB-CG2 4.28Å; I25-V321 HydrophobicContact CG2-CB 4.45Å; I25-V321 HydrophobicContact CG2-CG1 3.67Å; I25-V321 HydrophobicContact CG2-CG2 4.16Å; V26-V321 HydrophobicContact CG2-CG1 4.32Å; V26-V321 HydrophobicContact CG2-CG2 4.02Å; F290-V321 HydrophobicContact CD1-CG1 4.14Å; F290-V321 HydrophobicContact CE1-CG1 3.8Å; V317-V321 HydrophobicContact CG1-CG2 4.08Å; V317-V321 WeakPolarHBondContact O-CB 3.35Å; V317-V321 VanDerWaalsContact O-CG2 3.26Å; V317-V321 WeakPolarHBondContact O-CG2 3.48Å; V317-V321 PolarHBondContact O-N 2.9Å; F318-V321 PolarHBondContact O-N 2.89Å; V321-F324 PolarHBondContact O-N 3.46Å; V321-N325 VanDerWaalsContact CG1-ND2 3.27Å; V321-N325 WeakPolarHBondContact CG1-ND2 3.22Å; V321-N325 WeakPolarHBondContact O-CB 3.45Å; V321-N325 PolarHBondContact O-N 2.8Å; V321-N325 PolarHBondContact O-ND2 2.79Å
322L97.8Very high96.1Very high33 Ų3334.2 Ų34.217%0.17318%0.181CC..Hα-helixtrans-60-51.6176.6176.159.3000111V49 V50 C53 F318 I319 F324 N325 L326V49-L322 HydrophobicContact CG1-CD1 3.74Å; V50-L322 HydrophobicContact CG2-CD1 4.05Å; V50-L322 HydrophobicContact CG2-CD2 4.32Å; C53-L322 HydrophobicContact CB-CD1 3.99Å; F318-L322 VanDerWaalsContact O-CB 3.25Å; F318-L322 WeakPolarHBondContact O-CB 3.22Å; F318-L322 PolarHBondContact O-N 3.38Å; I319-L322 PolarHBondContact O-N 2.88Å; L322-F324 VanDerWaalsContact C-N 3.27Å; L322-F324 PolarHBondContact O-N 3.24Å; L322-N325 PolarHBondContact O-N 2.97Å; L322-L326 HydrophobicContact CD1-CD1 3.88Å; L322-L326 HydrophobicContact CD1-CG 4.1Å; L322-L326 HydrophobicContact CG-CD1 4.08Å; L322-L326 WeakPolarHBondContact O-CB 3.28Å; L322-L326 WeakPolarHBondContact O-CG 3.43Å; L322-L326 PolarHBondContact O-N 3.35Å
323S97.2Very high96.3Very high67 Ų6728.3 Ų28.347%0.46916%0.159SC..Hα-helixtrans-58.7-43179-560000111I319 T320 L327I319-S323 WeakPolarHBondContact O-CB 3.28Å; I319-S323 PolarHBondContact O-N 3.34Å; I319-S323 PolarHBondContact O-OG 3.42Å; T320-S323 PolarHBondContact O-N 3.49Å; S323-L327 WeakPolarHBondContact O-CB 3.27Å; S323-L327 PolarHBondContact O-N 3.4Å
324F95.8Very high96.5Very high29 Ų2930.5 Ų30.513%0.12717%0.17CC..Hα-helixtrans-62.7-48.1177.8178.8-103.9000112.4F22 V26 V30 F223 T320 V321 L322 L327 L328F22-F324 HydrophobicContact CZ-CD1 4.41Å; F22-F324 HydrophobicContact CZ-CG 4.36Å; V26-F324 HydrophobicContact CG1-CD1 4.31Å; V26-F324 HydrophobicContact CG1-CE1 3.83Å; V26-F324 HydrophobicContact CG2-CD1 4.18Å; V26-F324 HydrophobicContact CG2-CE1 4.48Å; V30-F324 HydrophobicContact CG2-CD1 4.26Å; V30-F324 HydrophobicContact CG2-CE1 3.72Å; F223-F324 HydrophobicContact CB-CE2 3.97Å; F223-F324 HydrophobicContact CB-CZ 3.67Å; F223-F324 HydrophobicContact CD1-CE1 4.31Å; F223-F324 AromaticContact CD1-CZ 3.69Å; F223-F324 HydrophobicContact CD1-CZ 3.69Å; F223-F324 HydrophobicContact CD2-CE1 4.44Å; F223-F324 AromaticContact CD2-CZ 3.87Å; F223-F324 HydrophobicContact CD2-CZ 3.87Å; F223-F324 HydrophobicContact CE1-CZ 4.31Å; F223-F324 HydrophobicContact CE2-CZ 4.44Å; F223-F324 HydrophobicContact CG-CE1 4.33Å; F223-F324 HydrophobicContact CG-CE2 4.25Å; F223-F324 AromaticContact CG-CZ 3.48Å; F223-F324 HydrophobicContact CG-CZ 3.48Å; F223-F324 VanDerWaalsContact CG-CZ 3.48Å; T320-F324 WeakPolarHBondContact O-CB 3.26Å; T320-F324 PolarHBondContact O-N 2.95Å; V321-F324 PolarHBondContact O-N 3.46Å; L322-F324 VanDerWaalsContact C-N 3.27Å; L322-F324 PolarHBondContact O-N 3.24Å; F324-L327 PolarHBondContact O-N 3.03Å; F324-L328 HydrophobicContact CE1-CD2 4.45Å; F324-L328 HydrophobicContact CZ-CD2 4.41Å; F324-L328 WeakPolarHBondContact O-CB 2.98Å; F324-L328 PolarHBondContact O-N 2.82Å
325N96.6Very high96.4Very high0 Ų030.3 Ų30.30%017%0.169CC..Hα-helixtrans-65.1-41.5179.7-83.3-73.1000112.5V30 L33 V289 V321 L322 S329V30-N325 WeakPolarHBondContact CG2-OD1 3.41Å; L33-N325 HydrophobicContact CD2-CB 3.7Å; L33-N325 VanDerWaalsContact CD2-OD1 3.28Å; L33-N325 WeakPolarHBondContact CD2-OD1 3.39Å; V289-N325 WeakPolarHBondContact CG1-OD1 3.37Å; V321-N325 VanDerWaalsContact CG1-ND2 3.27Å; V321-N325 WeakPolarHBondContact CG1-ND2 3.22Å; V321-N325 WeakPolarHBondContact O-CB 3.45Å; V321-N325 PolarHBondContact O-N 2.8Å; V321-N325 PolarHBondContact O-ND2 2.79Å; L322-N325 PolarHBondContact O-N 2.97Å; N325-S329 VanDerWaalsContact O-CB 3.3Å; N325-S329 WeakPolarHBondContact O-CB 3.36Å; N325-S329 PolarHBondContact O-N 3.38Å; N325-S329 PolarHBondContact O-OG 2.83Å
326L97.5Very high96.3Very high39 Ų3927.6 Ų27.620%0.20416%0.155CC..Hα-helixtrans-65-43.9175.2-71.5175.4000111.1F37 V49 V50 L322 T330F37-L326 HydrophobicContact CE2-CD2 4.11Å; F37-L326 HydrophobicContact CZ-CD2 4.45Å; V49-L326 HydrophobicContact CB-CD2 4.21Å; V49-L326 HydrophobicContact CG1-CD2 3.98Å; V49-L326 HydrophobicContact CG1-CG 4.33Å; V50-L326 HydrophobicContact CG2-CD1 4.21Å; L322-L326 HydrophobicContact CD1-CD1 3.88Å; L322-L326 HydrophobicContact CD1-CG 4.1Å; L322-L326 HydrophobicContact CG-CD1 4.08Å; L322-L326 WeakPolarHBondContact O-CB 3.28Å; L322-L326 WeakPolarHBondContact O-CG 3.43Å; L322-L326 PolarHBondContact O-N 3.35Å; L326-T330 WeakPolarHBondContact O-CB 3.4Å; L326-T330 PolarHBondContact O-N 2.83Å; L326-T330 PolarHBondContact O-OG1 3.02Å
327L96.8Very high96.1Very high83 Ų8328.4 Ų28.444%0.43516%0.157SC..Hα-helixtrans-64.4-47179.4-176.465.2000111.5L227 S323 F324 T331L227-L327 HydrophobicContact CD1-CD1 4.28Å; L227-L327 HydrophobicContact CD1-CD2 3.93Å; L227-L327 HydrophobicContact CD1-CG 3.65Å; L227-L327 HydrophobicContact CD2-CD2 3.61Å; L227-L327 HydrophobicContact CD2-CG 4.3Å; L227-L327 HydrophobicContact CG-CD2 4.43Å; S323-L327 WeakPolarHBondContact O-CB 3.27Å; S323-L327 PolarHBondContact O-N 3.4Å; F324-L327 PolarHBondContact O-N 3.03Å; L327-T331 HydrophobicContact CD1-CG2 4.17Å; L327-T331 WeakPolarHBondContact O-CB 3.4Å; L327-T331 VanDerWaalsContact O-CG2 3.26Å; L327-T331 WeakPolarHBondContact O-CG2 3.14Å; L327-T331 PolarHBondContact O-N 3.2Å; L327-T331 PolarHBondContact O-OG1 3.45Å
328L96.7Very high95.9Very high1 Ų134.1 Ų34.11%0.00518%0.184CC..Hα-helixtrans-62.7-47.1178.7-168.972.2000111.4V30 M226 F324 T331 A332 Y343V30-L328 HydrophobicContact CG2-CD2 3.54Å; M226-L328 HydrophobicContact CB-CD1 4.23Å; F324-L328 HydrophobicContact CE1-CD2 4.45Å; F324-L328 HydrophobicContact CZ-CD2 4.41Å; F324-L328 WeakPolarHBondContact O-CB 2.98Å; F324-L328 PolarHBondContact O-N 2.82Å; L328-T331 PolarHBondContact O-OG1 2.89Å; L328-T331 VanDerWaalsContact O-OG1 3.05Å; L328-A332 WeakPolarHBondContact O-CB 3.24Å; L328-A332 PolarHBondContact O-N 3.3Å; L328-Y343 HydrophobicContact CD1-CD1 4.28Å; L328-Y343 HydrophobicContact CD1-CE1 3.8Å; L328-Y343 HydrophobicContact CD2-CD1 4.39Å; L328-Y343 HydrophobicContact CG-CD1 4.27Å; L328-Y343 HydrophobicContact CG-CE1 4.05Å
329S97.4Very high95.7Very high0 Ų033.9 Ų33.90%018%0.183CC..Hα-helixtrans-69.4-41.2-178.9-52.40000111.9N325 A332 I333N325-S329 VanDerWaalsContact O-CB 3.3Å; N325-S329 WeakPolarHBondContact O-CB 3.36Å; N325-S329 PolarHBondContact O-N 3.38Å; N325-S329 PolarHBondContact O-OG 2.83Å; S329-A332 WeakPolarHBondContact O-CB 3.32Å; S329-A332 PolarHBondContact O-N 3.42Å; S329-I333 WeakPolarHBondContact O-CG2 3.39Å; S329-I333 PolarHBondContact O-N 2.8Å; S329-I333 VanDerWaalsContact O-N 3.1Å
330T96.6Very high95.5Very high57 Ų5732.3 Ų32.335%0.3517%0.173SC..Hα-helixtrans-65.3-42.9178.5-57.60000111.1L326 A332 I333 I334L326-T330 WeakPolarHBondContact O-CB 3.4Å; L326-T330 PolarHBondContact O-N 2.83Å; L326-T330 PolarHBondContact O-OG1 3.02Å; T330-A332 VanDerWaalsContact C-N 3.3Å; T330-A332 PolarHBondContact O-N 2.67Å; T330-I333 WeakPolarHBondContact O-CG1 3.31Å; T330-I333 PolarHBondContact O-N 2.97Å; T330-I334 WeakPolarHBondContact O-CG1 3.39Å; T330-I334 WeakPolarHBondContact O-CG2 3.47Å; T330-I334 PolarHBondContact O-N 3.34Å
331T96.8Very high95.5Very high8 Ų830.5 Ų30.55%0.04916%0.162CC..Hα-helixtrans-67.1-32.6177.652.10000112.3L227 I231 L327 L328 I334 A335L227-T331 HydrophobicContact CD1-CG2 3.72Å; L227-T331 WeakPolarHBondContact CD1-OG1 3.34Å; I231-T331 HydrophobicContact CD1-CG2 4.22Å; I231-T331 HydrophobicContact CG1-CG2 3.67Å; L327-T331 HydrophobicContact CD1-CG2 4.17Å; L327-T331 WeakPolarHBondContact O-CB 3.4Å; L327-T331 VanDerWaalsContact O-CG2 3.26Å; L327-T331 WeakPolarHBondContact O-CG2 3.14Å; L327-T331 PolarHBondContact O-N 3.2Å; L327-T331 PolarHBondContact O-OG1 3.45Å; L328-T331 PolarHBondContact O-OG1 2.89Å; L328-T331 VanDerWaalsContact O-OG1 3.05Å; T331-I334 WeakPolarHBondContact O-CG1 3.49Å; T331-A335 WeakPolarHBondContact O-CB 3.25Å; T331-A335 PolarHBondContact O-N 3.31Å
332A97.2Very high95.5Very high0 Ų030.6 Ų30.60%016%0.162CC..Hα-helixtrans-64.8-50.5173.900000112.4P34 L328 S329 T330 I334 A335 F336 I339 Y343P34-A332 HydrophobicContact CB-CB 3.75Å; P34-A332 HydrophobicContact CG-CB 4.37Å; L328-A332 WeakPolarHBondContact O-CB 3.24Å; L328-A332 PolarHBondContact O-N 3.3Å; S329-A332 WeakPolarHBondContact O-CB 3.32Å; S329-A332 PolarHBondContact O-N 3.42Å; T330-A332 VanDerWaalsContact C-N 3.3Å; T330-A332 PolarHBondContact O-N 2.67Å; A332-I334 VanDerWaalsContact C-N 3.27Å; A332-I334 PolarHBondContact O-N 3.15Å; A332-A335 PolarHBondContact O-N 3.02Å; A332-F336 WeakPolarHBondContact O-CD2 3.26Å; A332-F336 PolarHBondContact O-N 2.98Å; A332-I339 HydrophobicContact CB-CD1 3.63Å; A332-Y343 WeakPolarHBondContact CA-OH 3.37Å; A332-Y343 HydrophobicContact CB-CD2 4.26Å; A332-Y343 HydrophobicContact CB-CE1 4.27Å; A332-Y343 HydrophobicContact CB-CE2 3.47Å; A332-Y343 VanDerWaalsContact CB-CE2 3.47Å; A332-Y343 VanDerWaalsContact CB-CZ 3.44Å; A332-Y343 VanDerWaalsContact CB-OH 3.26Å; A332-Y343 WeakPolarHBondContact CB-OH 3.31Å
333I96.1Very high95.4Very high6 Ų629 Ų293%0.03115%0.154CC..Hα-helixtrans-68.1-23.8-175.962167.1000114F37 Q38 W42 P269 P271 S329 T330 I339F37-I333 HydrophobicContact CD1-CD1 4.27Å; F37-I333 HydrophobicContact CD1-CG2 4.16Å; F37-I333 HydrophobicContact CE1-CD1 3.98Å; Q38-I333 HydrophobicContact CB-CG2 3.84Å; Q38-I333 HydrophobicContact CG-CG2 4.12Å; W42-I333 HydrophobicContact CB-CD1 3.32Å; W42-I333 HydrophobicContact CG-CD1 4.28Å; P269-I333 WeakPolarHBondContact CB-O 3.37Å; P271-I333 HydrophobicContact CB-CB 4.23Å; P271-I333 HydrophobicContact CB-CD1 4.46Å; P271-I333 HydrophobicContact CG-CB 4.33Å; P271-I333 HydrophobicContact CG-CD1 4.21Å; S329-I333 WeakPolarHBondContact O-CG2 3.39Å; S329-I333 PolarHBondContact O-N 2.8Å; S329-I333 VanDerWaalsContact O-N 3.1Å; T330-I333 WeakPolarHBondContact O-CG1 3.31Å; T330-I333 PolarHBondContact O-N 2.97Å; I333-I339 HydrophobicContact CG2-CD1 3.84Å
334I95Very high95.3Very high49 Ų4925.9 Ų25.925%0.25113%0.132SC..Hα-helixtrans-84.6-20.1174.564.3177.4000112A234 T330 T331 A332A234-I334 HydrophobicContact CB-CB 4.38Å; A234-I334 HydrophobicContact CB-CD1 3.87Å; A234-I334 HydrophobicContact CB-CG1 3.73Å; T330-I334 WeakPolarHBondContact O-CG1 3.39Å; T330-I334 WeakPolarHBondContact O-CG2 3.47Å; T330-I334 PolarHBondContact O-N 3.34Å; T331-I334 WeakPolarHBondContact O-CG1 3.49Å; A332-I334 VanDerWaalsContact C-N 3.27Å; A332-I334 PolarHBondContact O-N 3.15Å
335A93.4Very high95.1Very high0 Ų024.9 Ų24.90%013%0.128CC..Hα-helixtrans-95.5-32.6-176.500000113S230 R233 A234 L237 T331 A332S230-A335 WeakPolarHBondContact O-CB 3.32Å; R233-A335 HydrophobicContact CB-CB 4.38Å; R233-A335 WeakPolarHBondContact CD-O 3.27Å; R233-A335 HydrophobicContact CG-CB 4.4Å; R233-A335 PolarHBondContact NE-O 3.43Å; A234-A335 HydrophobicContact CB-CB 4.24Å; L237-A335 WeakPolarHBondContact CD1-O 3.49Å; T331-A335 WeakPolarHBondContact O-CB 3.25Å; T331-A335 PolarHBondContact O-N 3.31Å; A332-A335 PolarHBondContact O-N 3.02Å
336F93.7Very high94.9Very high5 Ų526 Ų262%0.02213%0.134CC..  trans-124.8137.4-170.9-60-78.7000112.7Q38 A332 I339 Y343 N346 F347Q38-F336 PolarHBondContact NE2-O 2.95Å; A332-F336 WeakPolarHBondContact O-CD2 3.26Å; A332-F336 PolarHBondContact O-N 2.98Å; F336-I339 HydrophobicContact CB-CG1 4Å; F336-Y343 HydrophobicContact CD2-CE2 4.02Å; F336-Y343 AromaticContact CE2-CE2 3.87Å; F336-Y343 HydrophobicContact CE2-CE2 3.87Å; F336-N346 HydrophobicContact CD1-CB 4.21Å; F336-N346 HydrophobicContact CE1-CB 3.93Å; F336-N346 HydrophobicContact CE2-CB 4.28Å; F336-N346 HydrophobicContact CG-CB 4.49Å; F336-N346 HydrophobicContact CZ-CB 3.97Å; F336-F347 HydrophobicContact CE2-CE1 4.21Å; F336-F347 AromaticContact CE2-CZ 3.95Å; F336-F347 HydrophobicContact CE2-CZ 3.95Å; F336-F347 HydrophobicContact CZ-CD1 4.34Å; F336-F347 AromaticContact CZ-CE1 3.79Å; F336-F347 HydrophobicContact CZ-CE1 3.79Å; F336-F347 AromaticContact CZ-CZ 3.94Å; F336-F347 HydrophobicContact CZ-CZ 3.94Å
337N91.2Very high94.7Very high58 Ų5824.2 Ų24.231%0.3112%0.124SC..SBendtrans-73.7-39.9173.4-75.6-54.4000111.9Q38 E266 P267 P269Q38-N337 PolarHBondContact NE2-O 3.29Å; E266-N337 PolarHBondContact OE2-ND2 3.37Å; P267-N337 PolarHBondContact O-ND2 2.96Å; P267-N337 PolarHBondContact O-OD1 3.5Å; P269-N337 VanDerWaalsContact CA-OD1 3.23Å; P269-N337 WeakPolarHBondContact CA-OD1 3.36Å
338H90.9Very high94.2Very high120 Ų12021.7 Ų21.756%0.55611%0.111SC*.SBendtrans-125.4125.2174.4177.1-94.6000108.8E340 N346H338-E340 IonicContact CE1-OE1 3.07Å; H338-E340 PolarHBondContact CE1-OE1 2.9Å; H338-E340 IonicContact ND1-OE1 3.7Å; H338-E340 PolarHBondContact ND1-OE1 3.46Å; H338-N346 PolarHBondContact O-ND2 2.88Å
339I94.3Very high93.3Very high4 Ų421.9 Ų21.92%0.02111%0.113CC..  trans-101.2126175.3-61.5174.2000108.8P34 A35 Q38 A332 I333 F336 Y343P34-I339 HydrophobicContact CB-CD1 4.17Å; P34-I339 HydrophobicContact CB-CG2 3.88Å; A35-I339 HydrophobicContact CB-CB 4.43Å; A35-I339 HydrophobicContact CB-CG2 4.01Å; Q38-I339 HydrophobicContact CB-CD1 4.08Å; Q38-I339 HydrophobicContact CG-CD1 4.46Å; Q38-I339 VanDerWaalsContact OE1-N 3.11Å; A332-I339 HydrophobicContact CB-CD1 3.63Å; I333-I339 HydrophobicContact CG2-CD1 3.84Å; F336-I339 HydrophobicContact CB-CG1 4Å; I339-Y343 HydrophobicContact CG2-CD2 3.99Å
340E93.3Very high92Very high63 Ų6324.4 Ų24.429%0.29413%0.126SC..  trans-65.6150.6175.7-65.8-59.513600110.6H338 I342 L345 N346H338-E340 IonicContact CE1-OE1 3.07Å; H338-E340 PolarHBondContact CE1-OE1 2.9Å; H338-E340 IonicContact ND1-OE1 3.7Å; H338-E340 PolarHBondContact ND1-OE1 3.46Å; E340-I342 CarbonylContact O-C 3.58Å; E340-I342 PolarHBondContact O-N 3.02Å; E340-L345 HydrophobicContact CB-CB 3.96Å; E340-L345 HydrophobicContact CG-CB 4Å; E340-N346 PolarHBondContact N-OD1 3.32Å
341D94.5Very high90.3Very high18 Ų1823.7 Ų23.710%0.09612%0.12CC..SBendtrans-59.4-21.4179.569.1-29.3000113.7T32 K152 V435T32-D341 WeakPolarHBondContact CA-O 3.46Å; T32-D341 WeakPolarHBondContact CG2-O 3.27Å; K152-D341 VanDerWaalsContact CE-OD1 3.26Å; K152-D341 WeakPolarHBondContact CE-OD1 3.23Å; K152-D341 IonicContact NZ-OD1 3.17Å; K152-D341 PolarHBondContact NZ-OD1 2.75Å; K152-D341 IonicContact NZ-OD2 3.17Å; K152-D341 PolarHBondContact NZ-OD2 3.5Å; D341-V435 PolarHBondContact OD2-N 3.39Å
342I95.7Very high88.4Confident3 Ų328.6 Ų28.62%0.01514%0.142CC..SBendtrans-116.3110.8163.6-47.9173.8000108.2L31 A149 K152 E340 T344 L345 P375 V435L31-I342 HydrophobicContact CB-CG2 4.25Å; L31-I342 HydrophobicContact CD1-CG2 4.49Å; A149-I342 HydrophobicContact CB-CD1 3.78Å; K152-I342 HydrophobicContact CD-CD1 4.24Å; K152-I342 HydrophobicContact CG-CD1 4.47Å; E340-I342 CarbonylContact O-C 3.58Å; E340-I342 PolarHBondContact O-N 3.02Å; I342-T344 WeakPolarHBondContact CG2-OG1 3.44Å; I342-T344 PolarHBondContact O-N 3.3Å; I342-L345 HydrophobicContact CB-CD1 3.89Å; I342-L345 HydrophobicContact CB-CG 4.07Å; I342-L345 HydrophobicContact CD1-CD1 4.15Å; I342-L345 HydrophobicContact CG1-CD1 4.32Å; I342-L345 WeakPolarHBondContact O-CB 3.47Å; I342-L345 WeakPolarHBondContact O-CG 3.39Å; I342-L345 PolarHBondContact O-N 3.33Å; I342-P375 HydrophobicContact CG2-CG 4.17Å; I342-V435 HydrophobicContact CD1-CB 4.33Å; I342-V435 HydrophobicContact CD1-CG2 3.82Å; I342-V435 HydrophobicContact CG1-CB 3.96Å; I342-V435 HydrophobicContact CG1-CG1 4.25Å; I342-V435 HydrophobicContact CG1-CG2 3.99Å
343Y96Very high86.4Confident0 Ų030.5 Ų30.50%015%0.151CC..G310 helixtrans-56.7-31.5-170.8-177.5-139.4000114.8L31 P34 M226 S230 L328 A332 F336 I339 L345 N346 F347L31-Y343 VanDerWaalsContact O-CB 3.26Å; L31-Y343 WeakPolarHBondContact O-CB 3.2Å; L31-Y343 PolarHBondContact O-N 2.7Å; P34-Y343 HydrophobicContact CB-CD2 4.25Å; P34-Y343 HydrophobicContact CB-CG 4.23Å; P34-Y343 HydrophobicContact CG-CD1 4.02Å; P34-Y343 HydrophobicContact CG-CD2 4.43Å; P34-Y343 HydrophobicContact CG-CG 3.94Å; M226-Y343 HydrophobicContact CB-CD1 4.5Å; M226-Y343 HydrophobicContact CB-CE1 4.01Å; M226-Y343 HydrophobicContact CG-CD1 4.46Å; M226-Y343 HydrophobicContact CG-CE1 4.37Å; M226-Y343 HydrophobicContact SD-CD1 3.51Å; M226-Y343 VanDerWaalsContact SD-CD1 3.51Å; M226-Y343 HydrophobicContact SD-CE1 3.98Å; M226-Y343 HydrophobicContact SD-CG 4.32Å; S230-Y343 PolarHBondContact OG-OH 2.7Å; L328-Y343 HydrophobicContact CD1-CD1 4.28Å; L328-Y343 HydrophobicContact CD1-CE1 3.8Å; L328-Y343 HydrophobicContact CD2-CD1 4.39Å; L328-Y343 HydrophobicContact CG-CD1 4.27Å; L328-Y343 HydrophobicContact CG-CE1 4.05Å; A332-Y343 WeakPolarHBondContact CA-OH 3.37Å; A332-Y343 HydrophobicContact CB-CD2 4.26Å; A332-Y343 HydrophobicContact CB-CE1 4.27Å; A332-Y343 HydrophobicContact CB-CE2 3.47Å; A332-Y343 VanDerWaalsContact CB-CE2 3.47Å; A332-Y343 VanDerWaalsContact CB-CZ 3.44Å; A332-Y343 VanDerWaalsContact CB-OH 3.26Å; A332-Y343 WeakPolarHBondContact CB-OH 3.31Å; F336-Y343 HydrophobicContact CD2-CE2 4.02Å; F336-Y343 AromaticContact CE2-CE2 3.87Å; F336-Y343 HydrophobicContact CE2-CE2 3.87Å; I339-Y343 HydrophobicContact CG2-CD2 3.99Å; Y343-L345 PolarHBondContact O-N 3.42Å; Y343-L345 VanDerWaalsContact O-N 3.1Å; Y343-N346 HydrophobicContact CD2-CB 4.38Å; Y343-N346 HydrophobicContact CE2-CB 4.44Å; Y343-N346 WeakPolarHBondContact O-CB 3.45Å; Y343-N346 PolarHBondContact O-N 3.45Å; Y343-N346 VanDerWaalsContact O-N 3.13Å; Y343-N346 PolarHBondContact O-OD1 3.12Å; Y343-F347 HydrophobicContact CD1-CE2 4.39Å; Y343-F347 HydrophobicContact CD2-CE2 4.31Å; Y343-F347 HydrophobicContact CE1-CE2 4.05Å; Y343-F347 HydrophobicContact CE1-CZ 4.23Å; Y343-F347 AromaticContact CE2-CE2 3.95Å; Y343-F347 HydrophobicContact CE2-CE2 3.95Å; Y343-F347 HydrophobicContact CE2-CZ 4.16Å; Y343-F347 AromaticContact CZ-CE2 3.83Å; Y343-F347 AromaticContact CZ-CZ 3.79Å
344T94.9Very high84.4Confident0 Ų034.8 Ų34.80%017%0.173CC..G310 helixtrans-59.4-24.2177.453.40000113.9L31 M226 I342 N346 F347 L371 F374 P375L31-T344 HydrophobicContact CD2-CG2 4.2Å; M226-T344 HydrophobicContact CE-CG2 4.38Å; M226-T344 HydrophobicContact SD-CG2 3.73Å; I342-T344 WeakPolarHBondContact CG2-OG1 3.44Å; I342-T344 PolarHBondContact O-N 3.3Å; T344-N346 VanDerWaalsContact C-N 3.26Å; T344-N346 PolarHBondContact O-N 3.48Å; T344-F347 PolarHBondContact O-N 3.28Å; T344-L371 WeakPolarHBondContact CB-O 3.18Å; T344-L371 WeakPolarHBondContact CG2-O 3.17Å; T344-F374 HydrophobicContact CG2-CD1 3.75Å; T344-F374 HydrophobicContact CG2-CE1 4.45Å; T344-P375 HydrophobicContact CG2-CG 4.12Å; T344-P375 VanDerWaalsContact OG1-CG 3.32Å; T344-P375 WeakPolarHBondContact OG1-CG 3.37Å
345L93.3Very high82.3Confident8 Ų840 Ų404%0.04220%0.201CC..G310 helixtrans-74.3-17.1-178.3-58.1177.6000112.7K152 N156 E340 I342 Y343 F347 L348K152-L345 HydrophobicContact CG-CD1 4.27Å; N156-L345 HydrophobicContact CB-CD2 4.22Å; E340-L345 HydrophobicContact CB-CB 3.96Å; E340-L345 HydrophobicContact CG-CB 4Å; I342-L345 HydrophobicContact CB-CD1 3.89Å; I342-L345 HydrophobicContact CB-CG 4.07Å; I342-L345 HydrophobicContact CD1-CD1 4.15Å; I342-L345 HydrophobicContact CG1-CD1 4.32Å; I342-L345 WeakPolarHBondContact O-CB 3.47Å; I342-L345 WeakPolarHBondContact O-CG 3.39Å; I342-L345 PolarHBondContact O-N 3.33Å; Y343-L345 PolarHBondContact O-N 3.42Å; Y343-L345 VanDerWaalsContact O-N 3.1Å; L345-F347 PolarHBondContact O-N 3.32Å; L345-L348 PolarHBondContact O-N 3.13Å
346N92Very high80.4Confident25 Ų2544.1 Ų44.113%0.13422%0.222CC..G310 helixtrans-67.1-10.8171.6-75.196.4000113.7F336 H338 E340 Y343 T344F336-N346 HydrophobicContact CD1-CB 4.21Å; F336-N346 HydrophobicContact CE1-CB 3.93Å; F336-N346 HydrophobicContact CE2-CB 4.28Å; F336-N346 HydrophobicContact CG-CB 4.49Å; F336-N346 HydrophobicContact CZ-CB 3.97Å; H338-N346 PolarHBondContact O-ND2 2.88Å; E340-N346 PolarHBondContact N-OD1 3.32Å; Y343-N346 HydrophobicContact CD2-CB 4.38Å; Y343-N346 HydrophobicContact CE2-CB 4.44Å; Y343-N346 WeakPolarHBondContact O-CB 3.45Å; Y343-N346 PolarHBondContact O-N 3.45Å; Y343-N346 VanDerWaalsContact O-N 3.13Å; Y343-N346 PolarHBondContact O-OD1 3.12Å; T344-N346 VanDerWaalsContact C-N 3.26Å; T344-N346 PolarHBondContact O-N 3.48Å
347F92.1Very high78.5Confident0 Ų049.6 Ų49.60%026%0.261CS..G310 helixtrans-107.314.3-179.5-54.9-86.4000113M226 L229 S230 F336 Y343 T344 L345 P349 G368 L371M226-F347 HydrophobicContact CB-CE2 4.12Å; M226-F347 HydrophobicContact CB-CZ 4.14Å; M226-F347 HydrophobicContact CG-CD2 4.17Å; M226-F347 HydrophobicContact CG-CE2 3.66Å; M226-F347 HydrophobicContact CG-CZ 4.15Å; M226-F347 HydrophobicContact SD-CE2 4.25Å; L229-F347 HydrophobicContact CB-CD1 4.05Å; L229-F347 HydrophobicContact CB-CE1 3.64Å; L229-F347 HydrophobicContact CD1-CD1 3.78Å; L229-F347 HydrophobicContact CD1-CE1 4.1Å; S230-F347 WeakPolarHBondContact OG-CZ 3.43Å; F336-F347 HydrophobicContact CE2-CE1 4.21Å; F336-F347 AromaticContact CE2-CZ 3.95Å; F336-F347 HydrophobicContact CE2-CZ 3.95Å; F336-F347 HydrophobicContact CZ-CD1 4.34Å; F336-F347 AromaticContact CZ-CE1 3.79Å; F336-F347 HydrophobicContact CZ-CE1 3.79Å; F336-F347 AromaticContact CZ-CZ 3.94Å; F336-F347 HydrophobicContact CZ-CZ 3.94Å; Y343-F347 HydrophobicContact CD1-CE2 4.39Å; Y343-F347 HydrophobicContact CD2-CE2 4.31Å; Y343-F347 HydrophobicContact CE1-CE2 4.05Å; Y343-F347 HydrophobicContact CE1-CZ 4.23Å; Y343-F347 AromaticContact CE2-CE2 3.95Å; Y343-F347 HydrophobicContact CE2-CE2 3.95Å; Y343-F347 HydrophobicContact CE2-CZ 4.16Å; Y343-F347 AromaticContact CZ-CE2 3.83Å; Y343-F347 AromaticContact CZ-CZ 3.79Å; T344-F347 PolarHBondContact O-N 3.28Å; L345-F347 PolarHBondContact O-N 3.32Å; F347-P349 WeakPolarHBondContact O-CD 3.22Å; F347-G368 WeakPolarHBondContact O-CA 3.18Å; F347-L371 HydrophobicContact CB-CB 4.28Å; F347-L371 HydrophobicContact CB-CD1 3.78Å; F347-L371 HydrophobicContact CD1-CD1 4.14Å; F347-L371 HydrophobicContact CD2-CD1 4.11Å; F347-L371 HydrophobicContact CG-CD1 3.74Å
348L86.9Confident77.1Confident31 Ų3152 Ų5216%0.16227%0.27CS..PPolyproline II helixtrans-63.4126.5176.9-175.168.3000110.3N156 V157 F161 L345 C372N156-L348 HydrophobicContact CB-CD2 4.27Å; N156-L348 WeakPolarHBondContact O-CD2 3.44Å; V157-L348 HydrophobicContact CG2-CD1 4.39Å; F161-L348 HydrophobicContact CE1-CD2 4.27Å; L345-L348 PolarHBondContact O-N 3.13Å; L348-C372 WeakPolarHBondContact CA-SG 3.28Å; L348-C372 HydrophobicContact CD1-CB 4.3Å; L348-C372 VanDerWaalsContact CD1-SG 3.59Å
349P77.8Confident75.6Confident5 Ų553.7 Ų53.73%0.03228%0.282CS..PPolyproline II helixtrans-68.7142.8175.4-18.231.2000112.7P256 F347 L365 Y369P256-P349 HydrophobicContact CB-CG 4.41Å; F347-P349 WeakPolarHBondContact O-CD 3.22Å; P349-L365 HydrophobicContact CB-CD2 3.47Å; P349-L365 VanDerWaalsContact CB-CD2 3.47Å; P349-L365 HydrophobicContact CG-CD2 3.98Å; P349-Y369 HydrophobicContact CG-CD2 4.37Å; P349-Y369 HydrophobicContact CG-CE2 4.35Å
350N69.4Low74.3Confident52 Ų5254.6 Ų54.628%0.27829%0.288SS..PPolyproline II helixtrans-83132.2172.5-71.4-8.5000110.6E352 F353N350-E352 PolarHBondContact O-N 3.35Å; N350-F353 HydrophobicContact CB-CD2 4.35Å
351N61.9Low73.4Confident42 Ų4252.3 Ų52.323%0.22528%0.277CS..G310 helixtrans-68.7-16.4-177.9-70.7-21.8000114.4S160 F353 I354 Y369S160-N351 WeakPolarHBondContact CB-ND2 3.39Å; S160-N351 PolarHBondContact OG-ND2 2.62Å; N351-F353 PolarHBondContact O-N 3.12Å; N351-I354 HydrophobicContact CB-CD1 4.2Å; N351-I354 PolarHBondContact O-N 3.4Å; N351-Y369 PolarHBondContact OD1-OH 3.38Å
352E56.7Low72.6Confident111 Ų11155.3 Ų55.352%0.51930%0.296SS..G310 helixtrans-60.4-14.2178.1-71.4-177.2174.600113.6S164 N350S164-E352 PolarHBondContact OG-OE1 3.04Å; N350-E352 PolarHBondContact O-N 3.35Å
353F55.3Low72.1Confident41 Ų4159.5 Ų59.518%0.1832%0.318CS..G310 helixtrans-105.73.5-173.6-70.1-78.7000115.6Y259 T263 N350 N351 D355 I356 Y361Y259-F353 HydrophobicContact CD1-CD2 4.46Å; Y259-F353 HydrophobicContact CD1-CG 4.4Å; T263-F353 HydrophobicContact CG2-CE1 4.5Å; T263-F353 HydrophobicContact CG2-CE2 3.58Å; T263-F353 HydrophobicContact CG2-CZ 3.32Å; N350-F353 HydrophobicContact CB-CD2 4.35Å; N351-F353 PolarHBondContact O-N 3.12Å; F353-D355 PolarHBondContact O-N 2.93Å; F353-I356 PolarHBondContact O-N 3.47Å; F353-Y361 HydrophobicContact CB-CD2 4.39Å; F353-Y361 HydrophobicContact CB-CE2 3.37Å; F353-Y361 WeakPolarHBondContact CB-OH 3.42Å; F353-Y361 HydrophobicContact CG-CE2 4.49Å; F353-Y361 WeakPolarHBondContact O-CE1 3.39Å; F353-Y361 WeakPolarHBondContact O-CE2 3.38Å; F353-Y361 PolarHBondContact O-OH 3.48Å; F353-Y361 VanDerWaalsContact O-OH 3.05Å
354I53.3Low71.5Confident96 Ų9659.5 Ų59.549%0.49232%0.318SS..THydrogen-bonded Turntrans-59-18.7-175.7-66.1172.5000112.8N351 I356 Y361N351-I354 HydrophobicContact CB-CD1 4.2Å; N351-I354 PolarHBondContact O-N 3.4Å; I354-I356 VanDerWaalsContact C-N 3.31Å; I354-I356 PolarHBondContact O-N 3.27Å; I354-Y361 WeakPolarHBondContact CA-OH 3.37Å; I354-Y361 PolarHBondContact N-OH 2.83Å; I354-Y361 VanDerWaalsContact N-OH 3.08Å
355D51.9Low71Confident157 Ų15760.9 Ų60.984%0.8433%0.326SS*.THydrogen-bonded Turntrans-802.9-174.4-71.5-19.7000116F353F353-D355 PolarHBondContact O-N 2.93Å
356I53.8Low70.8Confident87 Ų8764.9 Ų64.945%0.44635%0.35SS..  trans-108.194.2178.5-47.6178.7000111F353 I354 Q358 Y361F353-I356 PolarHBondContact O-N 3.47Å; I354-I356 VanDerWaalsContact C-N 3.31Å; I354-I356 PolarHBondContact O-N 3.27Å; I356-Q358 HydrophobicContact CG2-CB 4.14Å; I356-Q358 HydrophobicContact CG2-CG 4.04Å; I356-Q358 PolarHBondContact O-N 3.48Å; I356-Y361 VanDerWaalsContact O-CD1 3.28Å; I356-Y361 WeakPolarHBondContact O-CD1 3.4Å
357S53.3Low70.8Confident121 Ų12164.6 Ų64.685%0.84635%0.348SS*.  trans-68.355.4171.4170.40000112.8
358Q62.6Low70.7Confident107 Ų10764.6 Ų64.650%0.535%0.348SS..  trans-117.1143.7171.8-70.5-166.9-1900111.8I356 Y361I356-Q358 HydrophobicContact CG2-CB 4.14Å; I356-Q358 HydrophobicContact CG2-CG 4.04Å; I356-Q358 PolarHBondContact O-N 3.48Å; Q358-Y361 WeakPolarHBondContact O-CB 3.35Å; Q358-Y361 PolarHBondContact O-N 3.11Å
359I57.7Low70.9Confident156 Ų15666.1 Ų66.180%0.835%0.352SS*.Hα-helixtrans-50.9-37.8-171.1-62.6171000115.2Y361I359-Y361 VanDerWaalsContact C-N 3.33Å; I359-Y361 PolarHBondContact O-N 2.94Å
360P68.5Low71.7Confident24 Ų2468 Ų6816%0.15636%0.36CS..Hα-helixtrans-73.2-24.9177.331.3-38.1000113.3V250 A364V250-P360 HydrophobicContact CG1-CG 3.72Å; V250-P360 WeakPolarHBondContact O-CG 3.45Å; P360-A364 PolarHBondContact O-N 3.01Å
361Y73.2Confident72.9Confident14 Ų1465.6 Ų65.66%0.05535%0.347CS..Hα-helixtrans-72.2-48.5-177.2179.6-101.8000112.1Y259 F353 I354 I356 Q358 I359 L363 A364 L365Y259-Y361 AromaticContact CE1-CD2 4Å; Y259-Y361 HydrophobicContact CE1-CD2 4Å; Y259-Y361 HydrophobicContact CE1-CE2 4.24Å; Y259-Y361 HydrophobicContact CE2-CE2 4.46Å; Y259-Y361 AromaticContact CZ-CD2 3.72Å; Y259-Y361 VanDerWaalsContact OH-CD2 3.27Å; Y259-Y361 WeakPolarHBondContact OH-CD2 3.21Å; F353-Y361 HydrophobicContact CB-CD2 4.39Å; F353-Y361 HydrophobicContact CB-CE2 3.37Å; F353-Y361 WeakPolarHBondContact CB-OH 3.42Å; F353-Y361 HydrophobicContact CG-CE2 4.49Å; F353-Y361 WeakPolarHBondContact O-CE1 3.39Å; F353-Y361 WeakPolarHBondContact O-CE2 3.38Å; F353-Y361 PolarHBondContact O-OH 3.48Å; F353-Y361 VanDerWaalsContact O-OH 3.05Å; I354-Y361 WeakPolarHBondContact CA-OH 3.37Å; I354-Y361 PolarHBondContact N-OH 2.83Å; I354-Y361 VanDerWaalsContact N-OH 3.08Å; I356-Y361 VanDerWaalsContact O-CD1 3.28Å; I356-Y361 WeakPolarHBondContact O-CD1 3.4Å; Q358-Y361 WeakPolarHBondContact O-CB 3.35Å; Q358-Y361 PolarHBondContact O-N 3.11Å; I359-Y361 VanDerWaalsContact C-N 3.33Å; I359-Y361 PolarHBondContact O-N 2.94Å; Y361-L363 PolarHBondContact O-N 2.77Å; Y361-A364 WeakPolarHBondContact O-CB 3.36Å; Y361-A364 PolarHBondContact O-N 3.05Å; Y361-A364 VanDerWaalsContact O-N 3.09Å; Y361-L365 HydrophobicContact CD1-CD1 4.06Å; Y361-L365 HydrophobicContact CD1-CG 4.37Å; Y361-L365 HydrophobicContact CE1-CD1 3.32Å; Y361-L365 HydrophobicContact CE1-CD2 4.39Å; Y361-L365 HydrophobicContact CE1-CG 3.77Å; Y361-L365 HydrophobicContact CE2-CG 4.38Å; Y361-L365 PolarHBondContact O-N 3.33Å; Y361-L365 WeakPolarHBondContact OH-CD2 3.4Å
362T78.8Confident74.3Confident82 Ų8263.6 Ų63.650%0.50334%0.336SS..Hα-helixtrans-57.9-39.7177.2-52.20000111.5L365 V366T362-L365 PolarHBondContact O-N 2.92Å; T362-V366 WeakPolarHBondContact O-CG2 3.39Å; T362-V366 PolarHBondContact O-N 2.98Å
363L83.8Confident76.1Confident91 Ų9160.2 Ų60.248%0.47632%0.322SS..Hα-helixtrans-64.6-42177.3-176.861.3000111.9W254 Y361 L365 V366 I367W254-L363 HydrophobicContact CB-CD2 4.35Å; Y361-L363 PolarHBondContact O-N 2.77Å; L363-L365 VanDerWaalsContact C-N 3.34Å; L363-L365 PolarHBondContact O-N 3.17Å; L363-V366 PolarHBondContact O-N 3.3Å; L363-I367 HydrophobicContact CD1-CD1 4.16Å; L363-I367 HydrophobicContact CD1-CG1 4.4Å; L363-I367 HydrophobicContact CG-CD1 3.91Å; L363-I367 WeakPolarHBondContact O-CG1 3.21Å; L363-I367 PolarHBondContact O-N 3.3Å
364A83.9Confident77.8Confident0 Ų058.4 Ų58.40%031%0.314CS..Hα-helixtrans-62.5-40.8176.900000112.7Y253 W254 Y259 P360 Y361 I367 G368Y253-A364 VanDerWaalsContact O-CB 3.23Å; Y253-A364 WeakPolarHBondContact O-CB 3.34Å; W254-A364 VanDerWaalsContact C-CB 3.48Å; W254-A364 WeakPolarHBondContact O-CA 3.42Å; W254-A364 WeakPolarHBondContact O-CB 3.39Å; Y259-A364 HydrophobicContact CE2-CB 3.74Å; P360-A364 PolarHBondContact O-N 3.01Å; Y361-A364 WeakPolarHBondContact O-CB 3.36Å; Y361-A364 PolarHBondContact O-N 3.05Å; Y361-A364 VanDerWaalsContact O-N 3.09Å; A364-I367 PolarHBondContact O-N 2.73Å; A364-G368 PolarHBondContact O-N 3.33Å
365L85.4Confident79.6Confident29 Ų2953.9 Ų53.915%0.15229%0.29CS..Hα-helixtrans-59.6-49.3173.1-74.7-175.5000111.4P349 Y361 T362 L363 I367 G368 Y369P349-L365 HydrophobicContact CB-CD2 3.47Å; P349-L365 VanDerWaalsContact CB-CD2 3.47Å; P349-L365 HydrophobicContact CG-CD2 3.98Å; Y361-L365 HydrophobicContact CD1-CD1 4.06Å; Y361-L365 HydrophobicContact CD1-CG 4.37Å; Y361-L365 HydrophobicContact CE1-CD1 3.32Å; Y361-L365 HydrophobicContact CE1-CD2 4.39Å; Y361-L365 HydrophobicContact CE1-CG 3.77Å; Y361-L365 HydrophobicContact CE2-CG 4.38Å; Y361-L365 PolarHBondContact O-N 3.33Å; Y361-L365 WeakPolarHBondContact OH-CD2 3.4Å; T362-L365 PolarHBondContact O-N 2.92Å; L363-L365 VanDerWaalsContact C-N 3.34Å; L363-L365 PolarHBondContact O-N 3.17Å; L365-I367 VanDerWaalsContact C-N 3.31Å; L365-I367 PolarHBondContact O-N 2.66Å; L365-G368 PolarHBondContact O-N 2.64Å; L365-Y369 HydrophobicContact CB-CD2 4.4Å; L365-Y369 HydrophobicContact CB-CE2 4.47Å; L365-Y369 HydrophobicContact CD2-CE2 4.17Å; L365-Y369 WeakPolarHBondContact O-CB 3.5Å; L365-Y369 WeakPolarHBondContact O-CD2 3.14Å; L365-Y369 PolarHBondContact O-N 2.86Å
366V89.1Confident81.6Confident91 Ų9147.4 Ų47.455%0.55226%0.256SS*.Hα-helixtrans-58.3-45.3178.5171.30000110.7T362 L363 F370T362-V366 WeakPolarHBondContact O-CG2 3.39Å; T362-V366 PolarHBondContact O-N 2.98Å; L363-V366 PolarHBondContact O-N 3.3Å; V366-F370 WeakPolarHBondContact O-CB 3.3Å; V366-F370 PolarHBondContact O-N 2.79Å
367I90.9Very high83.3Confident19 Ų1948.4 Ų48.410%0.09726%0.258CS..Hα-helixtrans-64.6-46.6178.7-71.4170.9000111.5L225 L229 W254 P256 L363 A364 L365 F370 L371L225-I367 HydrophobicContact CD1-CG2 4.29Å; L225-I367 HydrophobicContact CD2-CG2 4.28Å; L229-I367 HydrophobicContact CD1-CG2 3.87Å; W254-I367 HydrophobicContact CE3-CD1 3.84Å; W254-I367 HydrophobicContact CZ3-CD1 4.27Å; P256-I367 HydrophobicContact CG-CG2 4.42Å; L363-I367 HydrophobicContact CD1-CD1 4.16Å; L363-I367 HydrophobicContact CD1-CG1 4.4Å; L363-I367 HydrophobicContact CG-CD1 3.91Å; L363-I367 WeakPolarHBondContact O-CG1 3.21Å; L363-I367 PolarHBondContact O-N 3.3Å; A364-I367 PolarHBondContact O-N 2.73Å; L365-I367 VanDerWaalsContact C-N 3.31Å; L365-I367 PolarHBondContact O-N 2.66Å; I367-F370 WeakPolarHBondContact O-CB 3.1Å; I367-F370 PolarHBondContact O-N 3.35Å; I367-L371 HydrophobicContact CG2-CD1 4.3Å; I367-L371 WeakPolarHBondContact O-CG 3.29Å; I367-L371 PolarHBondContact O-N 3.29Å
368G90.5Very high85Confident0 Ų042.9 Ų42.90%022%0.219CC..Hα-helixtrans-65.5-44.9-178.700000112.5F347 A364 L365 L371 C372F347-G368 WeakPolarHBondContact O-CA 3.18Å; A364-G368 PolarHBondContact O-N 3.33Å; L365-G368 PolarHBondContact O-N 2.64Å; G368-L371 PolarHBondContact O-N 3.44Å; G368-C372 PolarHBondContact O-N 3.15Å; G368-C372 PolarHBondContact O-SG 2.78Å
369Y91.8Very high86.4Confident64 Ų6438 Ų3825%0.25120%0.197SC..Hα-helixtrans-65.5-38.3174.2-75.8-57.2000112.3V157 P349 N351 L365 C372 L373V157-Y369 HydrophobicContact CG1-CD1 3.77Å; V157-Y369 HydrophobicContact CG1-CE1 3.93Å; V157-Y369 HydrophobicContact CG2-CD1 4.28Å; P349-Y369 HydrophobicContact CG-CD2 4.37Å; P349-Y369 HydrophobicContact CG-CE2 4.35Å; N351-Y369 PolarHBondContact OD1-OH 3.38Å; L365-Y369 HydrophobicContact CB-CD2 4.4Å; L365-Y369 HydrophobicContact CB-CE2 4.47Å; L365-Y369 HydrophobicContact CD2-CE2 4.17Å; L365-Y369 WeakPolarHBondContact O-CB 3.5Å; L365-Y369 WeakPolarHBondContact O-CD2 3.14Å; L365-Y369 PolarHBondContact O-N 2.86Å; Y369-C372 PolarHBondContact O-N 3Å; Y369-L373 WeakPolarHBondContact O-CB 3.43Å; Y369-L373 WeakPolarHBondContact O-CG 3.39Å; Y369-L373 PolarHBondContact O-N 3.46Å
370F93.9Very high88.1Confident45 Ų4533 Ų3320%0.19717%0.173CC..Hα-helixtrans-57.6-49.2172.9167.6-101.8000111.5L218 I221 L225 V366 I367 C372 L373 F374L218-F370 HydrophobicContact CB-CZ 4.5Å; L218-F370 HydrophobicContact CD2-CE2 3.87Å; L218-F370 HydrophobicContact CD2-CZ 4.21Å; I221-F370 HydrophobicContact CB-CE1 4.47Å; I221-F370 HydrophobicContact CB-CZ 4.34Å; I221-F370 HydrophobicContact CG2-CE1 3.77Å; I221-F370 HydrophobicContact CG2-CZ 3.97Å; L225-F370 HydrophobicContact CD1-CD1 3.79Å; L225-F370 HydrophobicContact CD1-CE1 3.83Å; V366-F370 WeakPolarHBondContact O-CB 3.3Å; V366-F370 PolarHBondContact O-N 2.79Å; I367-F370 WeakPolarHBondContact O-CB 3.1Å; I367-F370 PolarHBondContact O-N 3.35Å; F370-C372 PolarHBondContact O-N 3.33Å; F370-L373 CarbonylContact O-C 3.5Å; F370-L373 PolarHBondContact O-N 3.19Å; F370-F374 WeakPolarHBondContact O-CB 3.42Å; F370-F374 PolarHBondContact O-N 3.23Å
371L94.3Very high89Confident0 Ų032.5 Ų32.50%017%0.17CC..Hα-helixtrans-62.5-42.2177.9-73178.1000111.7L225 M226 L229 T344 F347 I367 G368 L373 F374 P375L225-L371 HydrophobicContact CB-CD1 4.28Å; L225-L371 HydrophobicContact CB-CD2 4.02Å; L225-L371 HydrophobicContact CB-CG 4.5Å; L225-L371 HydrophobicContact CD1-CD2 4.44Å; M226-L371 HydrophobicContact CG-CD1 4.32Å; M226-L371 HydrophobicContact CG-CD2 3.9Å; L229-L371 HydrophobicContact CD1-CD1 3.45Å; L229-L371 VanDerWaalsContact CD1-CD1 3.45Å; T344-L371 WeakPolarHBondContact CB-O 3.18Å; T344-L371 WeakPolarHBondContact CG2-O 3.17Å; F347-L371 HydrophobicContact CB-CB 4.28Å; F347-L371 HydrophobicContact CB-CD1 3.78Å; F347-L371 HydrophobicContact CD1-CD1 4.14Å; F347-L371 HydrophobicContact CD2-CD1 4.11Å; F347-L371 HydrophobicContact CG-CD1 3.74Å; I367-L371 HydrophobicContact CG2-CD1 4.3Å; I367-L371 WeakPolarHBondContact O-CG 3.29Å; I367-L371 PolarHBondContact O-N 3.29Å; G368-L371 PolarHBondContact O-N 3.44Å; L371-L373 VanDerWaalsContact C-N 3.34Å; L371-L373 PolarHBondContact O-N 3Å; L371-F374 WeakPolarHBondContact O-CB 3.47Å; L371-F374 PolarHBondContact O-N 2.94Å; L371-P375 WeakPolarHBondContact O-CD 3.22Å
372C92.2Very high89.7Confident0 Ų032.6 Ų32.60%017%0.174CC..Hα-helixtrans-66.6-34.3178.3-67.50000113.2S153 V157 L348 G368 Y369 F370 P375S153-C372 WeakPolarHBondContact CB-O 3.44Å; V157-C372 HydrophobicContact CG2-CB 3.56Å; L348-C372 WeakPolarHBondContact CA-SG 3.28Å; L348-C372 HydrophobicContact CD1-CB 4.3Å; L348-C372 VanDerWaalsContact CD1-SG 3.59Å; G368-C372 PolarHBondContact O-N 3.15Å; G368-C372 PolarHBondContact O-SG 2.78Å; Y369-C372 PolarHBondContact O-N 3Å; F370-C372 PolarHBondContact O-N 3.33Å; C372-P375 WeakPolarHBondContact O-CD 3.28Å
373L93.4Very high90.3Very high40 Ų4028.7 Ų28.721%0.20915%0.15CC..Hα-helixtrans-86-11.4177-68.6174.6000113.6L154 V157 Y369 F370 L371 V376 F377L154-L373 HydrophobicContact CD1-CD2 4.21Å; V157-L373 HydrophobicContact CB-CD2 4.43Å; V157-L373 HydrophobicContact CG1-CD2 4.39Å; V157-L373 HydrophobicContact CG2-CD2 4.08Å; V157-L373 HydrophobicContact CG2-CG 4.23Å; Y369-L373 WeakPolarHBondContact O-CB 3.43Å; Y369-L373 WeakPolarHBondContact O-CG 3.39Å; Y369-L373 PolarHBondContact O-N 3.46Å; F370-L373 CarbonylContact O-C 3.5Å; F370-L373 PolarHBondContact O-N 3.19Å; L371-L373 VanDerWaalsContact C-N 3.34Å; L371-L373 PolarHBondContact O-N 3Å; L373-V376 HydrophobicContact CD2-CB 4.49Å; L373-V376 HydrophobicContact CD2-CG2 4.08Å; L373-V376 WeakPolarHBondContact O-CA 3.38Å; L373-V376 VanDerWaalsContact O-CB 3.24Å; L373-V376 WeakPolarHBondContact O-CB 3.42Å; L373-V376 PolarHBondContact O-N 3.1Å; L373-F377 HydrophobicContact CB-CD2 4.17Å; L373-F377 HydrophobicContact CB-CE2 3.65Å; L373-F377 HydrophobicContact CB-CZ 4.44Å; L373-F377 HydrophobicContact CD1-CE2 4.46Å; L373-F377 WeakPolarHBondContact O-CD2 3.06Å; L373-F377 PolarHBondContact O-N 2.84Å; L373-F377 VanDerWaalsContact O-N 3.1Å
374F91.5Very high90.7Very high4 Ų425 Ų252%0.01813%0.131CC..Hα-helixtrans-52.7-46.8179.1158.4-101.1000113.1L31 R219 T344 F370 L371 V376 F377 A378L31-F374 HydrophobicContact CD1-CD1 4.37Å; L31-F374 HydrophobicContact CD1-CE1 3.76Å; L31-F374 HydrophobicContact CD2-CE1 3.93Å; L31-F374 HydrophobicContact CG-CE1 4.4Å; R219-F374 VanDerWaalsContact CA-CE2 3.43Å; R219-F374 HydrophobicContact CB-CE2 4.05Å; R219-F374 HydrophobicContact CB-CZ 4.28Å; R219-F374 HydrophobicContact CG-CE2 3.52Å; R219-F374 HydrophobicContact CG-CZ 3.64Å; T344-F374 HydrophobicContact CG2-CD1 3.75Å; T344-F374 HydrophobicContact CG2-CE1 4.45Å; F370-F374 WeakPolarHBondContact O-CB 3.42Å; F370-F374 PolarHBondContact O-N 3.23Å; L371-F374 WeakPolarHBondContact O-CB 3.47Å; L371-F374 PolarHBondContact O-N 2.94Å; F374-V376 VanDerWaalsContact C-N 3.28Å; F374-V376 PolarHBondContact O-N 3.21Å; F374-F377 PolarHBondContact O-N 3.38Å; F374-A378 HydrophobicContact CD2-CB 4.37Å; F374-A378 HydrophobicContact CE2-CB 3.87Å; F374-A378 HydrophobicContact CZ-CB 4.12Å; F374-A378 WeakPolarHBondContact O-CB 3.46Å; F374-A378 PolarHBondContact O-N 3.19Å
375P92Very high90.9Very high0 Ų027 Ų270%014%0.141CC..Hα-helixtrans-61.1-36.3174.2-22.634.5000112.4L31 I342 T344 L371 C372 F377 A378 L379L31-P375 HydrophobicContact CD1-CG 4.28Å; I342-P375 HydrophobicContact CG2-CG 4.17Å; T344-P375 HydrophobicContact CG2-CG 4.12Å; T344-P375 VanDerWaalsContact OG1-CG 3.32Å; T344-P375 WeakPolarHBondContact OG1-CG 3.37Å; L371-P375 WeakPolarHBondContact O-CD 3.22Å; C372-P375 WeakPolarHBondContact O-CD 3.28Å; P375-F377 PolarHBondContact O-N 3.15Å; P375-A378 PolarHBondContact O-N 2.69Å; P375-L379 HydrophobicContact CB-CD1 3.99Å; P375-L379 HydrophobicContact CB-CG 4.37Å; P375-L379 WeakPolarHBondContact O-CB 3Å; P375-L379 WeakPolarHBondContact O-CG 3.18Å; P375-L379 PolarHBondContact O-N 2.66Å
376V93.5Very high91.1Very high21 Ų2126.5 Ų26.513%0.12714%0.139CC..Hα-helixtrans-58.2-50.2177.2179.70000110.1V150 L154 L373 F374 T380V150-V376 HydrophobicContact CG1-CB 4.43Å; V150-V376 HydrophobicContact CG1-CG1 4.07Å; V150-V376 HydrophobicContact CG1-CG2 4.34Å; L154-V376 HydrophobicContact CB-CG2 4.25Å; L373-V376 HydrophobicContact CD2-CB 4.49Å; L373-V376 HydrophobicContact CD2-CG2 4.08Å; L373-V376 WeakPolarHBondContact O-CA 3.38Å; L373-V376 VanDerWaalsContact O-CB 3.24Å; L373-V376 WeakPolarHBondContact O-CB 3.42Å; L373-V376 PolarHBondContact O-N 3.1Å; F374-V376 VanDerWaalsContact C-N 3.28Å; F374-V376 PolarHBondContact O-N 3.21Å; V376-T380 WeakPolarHBondContact O-CB 3.38Å; V376-T380 PolarHBondContact O-N 2.8Å; V376-T380 PolarHBondContact O-OG1 3.43Å
377F89.8Confident91.4Very high109 Ų10922.2 Ų22.248%0.47811%0.113SC..Hα-helixtrans-68.3-47.7179-61.4-62000112.5L218 L373 F374 P375 S381L218-F377 HydrophobicContact CD1-CB 4.26Å; L373-F377 HydrophobicContact CB-CD2 4.17Å; L373-F377 HydrophobicContact CB-CE2 3.65Å; L373-F377 HydrophobicContact CB-CZ 4.44Å; L373-F377 HydrophobicContact CD1-CE2 4.46Å; L373-F377 WeakPolarHBondContact O-CD2 3.06Å; L373-F377 PolarHBondContact O-N 2.84Å; L373-F377 VanDerWaalsContact O-N 3.1Å; F374-F377 PolarHBondContact O-N 3.38Å; P375-F377 PolarHBondContact O-N 3.15Å; F377-S381 WeakPolarHBondContact O-CB 3.07Å; F377-S381 PolarHBondContact O-N 3.47Å; F377-S381 PolarHBondContact O-OG 3.1Å
378A88.9Confident91.4Very high4 Ų421.9 Ų21.93%0.03311%0.112CC..Hα-helixtrans-68.8-41.4-174.400000112.8F374 P375 S381 S382F374-A378 HydrophobicContact CD2-CB 4.37Å; F374-A378 HydrophobicContact CE2-CB 3.87Å; F374-A378 HydrophobicContact CZ-CB 4.12Å; F374-A378 WeakPolarHBondContact O-CB 3.46Å; F374-A378 PolarHBondContact O-N 3.19Å; P375-A378 PolarHBondContact O-N 2.69Å; A378-S381 PolarHBondContact O-OG 2.78Å; A378-S382 PolarHBondContact O-N 3.12Å; A378-S382 PolarHBondContact O-OG 3.06Å
379L92.4Very high91.3Very high5 Ų524.6 Ų24.63%0.02613%0.131CC..Hα-helixtrans-84.3-38-175.2-55.1-178.2000112T28 Y146 A149 V150 P375 S381 S382 F383T28-L379 HydrophobicContact CG2-CD2 3.09Å; Y146-L379 HydrophobicContact CD1-CD1 4.42Å; Y146-L379 HydrophobicContact CD1-CD2 3.83Å; Y146-L379 HydrophobicContact CD1-CG 4.49Å; Y146-L379 HydrophobicContact CE1-CD2 4.04Å; Y146-L379 HydrophobicContact CG-CB 4.35Å; Y146-L379 HydrophobicContact CG-CD2 4.42Å; A149-L379 HydrophobicContact CB-CD1 3.4Å; V150-L379 HydrophobicContact CG2-CB 3.54Å; V150-L379 HydrophobicContact CG2-CD1 4.26Å; V150-L379 HydrophobicContact CG2-CG 4.44Å; P375-L379 HydrophobicContact CB-CD1 3.99Å; P375-L379 HydrophobicContact CB-CG 4.37Å; P375-L379 WeakPolarHBondContact O-CB 3Å; P375-L379 WeakPolarHBondContact O-CG 3.18Å; P375-L379 PolarHBondContact O-N 2.66Å; L379-S381 PolarHBondContact O-N 2.94Å; L379-S382 PolarHBondContact O-N 3.21Å; L379-F383 WeakPolarHBondContact O-CB 3.26Å; L379-F383 PolarHBondContact O-N 3.44Å
380T91.9Very high91.4Very high50 Ų5021.5 Ų21.531%0.30712%0.119SC..Hα-helixtrans-60.2-37.5174.8-56.80000111.2F193 V376 S382 P384F193-T380 HydrophobicContact CE2-CG2 4.08Å; V376-T380 WeakPolarHBondContact O-CB 3.38Å; V376-T380 PolarHBondContact O-N 2.8Å; V376-T380 PolarHBondContact O-OG1 3.43Å; T380-S382 VanDerWaalsContact C-N 3.35Å; T380-P384 WeakPolarHBondContact O-CD 3.43Å
381S87.6Confident91.4Very high14 Ų1420.7 Ų20.710%0.09812%0.116CC..Hα-helixtrans-67.2-34174.4710000113.9T215 F377 A378 L379T215-S381 VanDerWaalsContact CG2-OG 3.31Å; T215-S381 WeakPolarHBondContact CG2-OG 3.48Å; F377-S381 WeakPolarHBondContact O-CB 3.07Å; F377-S381 PolarHBondContact O-N 3.47Å; F377-S381 PolarHBondContact O-OG 3.1Å; A378-S381 PolarHBondContact O-OG 2.78Å; L379-S381 PolarHBondContact O-N 2.94Å
382S88.2Confident91.2Very high17 Ų1722.1 Ų22.112%0.11913%0.131CC..Hα-helixtrans-84.1-27-175.3-57.70000111.8A378 L379 T380 I385 V386A378-S382 PolarHBondContact O-N 3.12Å; A378-S382 PolarHBondContact O-OG 3.06Å; L379-S382 PolarHBondContact O-N 3.21Å; T380-S382 VanDerWaalsContact C-N 3.35Å; S382-I385 WeakPolarHBondContact O-CB 3.48Å; S382-I385 PolarHBondContact O-N 2.88Å; S382-I385 VanDerWaalsContact O-N 3.15Å; S382-V386 PolarHBondContact O-N 3.34Å
383F92.5Very high91.1Very high0 Ų023.4 Ų23.40%014%0.138CC..Hα-helixtrans-58.5-50-176.3-170-67.2000113L143 Y146 F193 V197 L379 I385 V386 G387 L422L143-F383 HydrophobicContact CB-CE2 3.92Å; L143-F383 HydrophobicContact CB-CZ 4.09Å; L143-F383 HydrophobicContact CD1-CZ 4.45Å; L143-F383 HydrophobicContact CD2-CD1 3.85Å; L143-F383 HydrophobicContact CD2-CD2 3.82Å; L143-F383 HydrophobicContact CD2-CE1 3.87Å; L143-F383 HydrophobicContact CD2-CE2 3.81Å; L143-F383 HydrophobicContact CD2-CG 3.84Å; L143-F383 HydrophobicContact CD2-CZ 3.85Å; L143-F383 HydrophobicContact CG-CE2 4.4Å; L143-F383 HydrophobicContact CG-CZ 4.34Å; L143-F383 WeakPolarHBondContact O-CE2 3.19Å; Y146-F383 HydrophobicContact CD2-CB 4.31Å; Y146-F383 HydrophobicContact CD2-CD2 4.33Å; F193-F383 AromaticContact CE1-CD2 3.66Å; F193-F383 HydrophobicContact CE1-CD2 3.66Å; F193-F383 AromaticContact CE1-CE2 3.71Å; F193-F383 HydrophobicContact CE1-CE2 3.71Å; F193-F383 HydrophobicContact CE1-CG 4.28Å; F193-F383 HydrophobicContact CE1-CZ 4.33Å; F193-F383 HydrophobicContact CZ-CB 4.2Å; F193-F383 AromaticContact CZ-CD2 3.66Å; F193-F383 HydrophobicContact CZ-CD2 3.66Å; F193-F383 HydrophobicContact CZ-CE2 4.2Å; F193-F383 AromaticContact CZ-CG 3.98Å; F193-F383 HydrophobicContact CZ-CG 3.98Å; V197-F383 HydrophobicContact CB-CD1 4.39Å; V197-F383 HydrophobicContact CG1-CD1 3.32Å; V197-F383 HydrophobicContact CG1-CE1 3.71Å; V197-F383 HydrophobicContact CG1-CG 4.15Å; L379-F383 WeakPolarHBondContact O-CB 3.26Å; L379-F383 PolarHBondContact O-N 3.44Å; F383-I385 VanDerWaalsContact C-N 3.26Å; F383-I385 PolarHBondContact O-N 2.95Å; F383-V386 PolarHBondContact O-N 3.48Å; F383-G387 PolarHBondContact O-N 3.34Å; F383-L422 HydrophobicContact CE1-CD1 3.88Å; F383-L422 HydrophobicContact CZ-CD1 3.94Å
384P91Very high91.2Very high12 Ų1222.4 Ų22.48%0.07813%0.133CC..Hα-helixtrans-61.1-33.9176.7-23.733.5000113.3V197 F200 T380 G387 T388V197-P384 HydrophobicContact CG1-CG 4.14Å; F200-P384 HydrophobicContact CB-CB 3.95Å; F200-P384 HydrophobicContact CB-CG 3.93Å; F200-P384 HydrophobicContact CG-CG 4.3Å; T380-P384 WeakPolarHBondContact O-CD 3.43Å; P384-G387 PolarHBondContact O-N 2.87Å; P384-T388 WeakPolarHBondContact O-CB 3.13Å; P384-T388 VanDerWaalsContact O-CG2 3.26Å; P384-T388 WeakPolarHBondContact O-CG2 3.31Å; P384-T388 PolarHBondContact O-N 3.46Å; P384-T388 PolarHBondContact O-OG1 2.97Å
385I88Confident91.2Very high43 Ų4325.5 Ų25.522%0.22115%0.146CC..Hα-helixtrans-68-47-179.7-60.1166.1000110.2Q212 S382 F383 T388 S389Q212-I385 HydrophobicContact CG-CD1 4.17Å; Q212-I385 VanDerWaalsContact NE2-CD1 3.32Å; S382-I385 WeakPolarHBondContact O-CB 3.48Å; S382-I385 PolarHBondContact O-N 2.88Å; S382-I385 VanDerWaalsContact O-N 3.15Å; F383-I385 VanDerWaalsContact C-N 3.26Å; F383-I385 PolarHBondContact O-N 2.95Å; I385-T388 PolarHBondContact O-OG1 3.18Å; I385-T388 VanDerWaalsContact O-OG1 3.05Å; I385-S389 WeakPolarHBondContact O-CB 3.44Å; I385-S389 PolarHBondContact O-N 3.44Å; I385-S389 VanDerWaalsContact O-N 3.11Å; I385-S389 PolarHBondContact O-OG 3.31Å
386V90.9Very high91Very high19 Ų1927.4 Ų27.412%0.11516%0.16CC..Hα-helixtrans-67.3-41175.3174.90000110.8L139 D142 L143 Y146 S382 F383 S389 L390L139-V386 HydrophobicContact CB-CG1 4.38Å; L139-V386 HydrophobicContact CD2-CG1 3.96Å; D142-V386 HydrophobicContact CB-CG1 3.85Å; L143-V386 HydrophobicContact CD2-CB 3.9Å; L143-V386 HydrophobicContact CD2-CG1 3.7Å; L143-V386 HydrophobicContact CG-CG1 4Å; Y146-V386 HydrophobicContact CE2-CB 4.33Å; Y146-V386 HydrophobicContact CE2-CG2 3.87Å; S382-V386 PolarHBondContact O-N 3.34Å; F383-V386 PolarHBondContact O-N 3.48Å; V386-S389 WeakPolarHBondContact O-CB 3.12Å; V386-S389 PolarHBondContact O-N 3.38Å; V386-L390 PolarHBondContact O-N 3.16Å
387G94Very high90.8Very high0 Ų027.9 Ų27.90%016%0.161CC..Hα-helixtrans-65.8-41.8-179.600000113.3F383 P384 S389 L390 L391F383-G387 PolarHBondContact O-N 3.34Å; P384-G387 PolarHBondContact O-N 2.87Å; G387-S389 VanDerWaalsContact C-N 3.32Å; G387-L390 PolarHBondContact O-N 3.15Å; G387-L391 WeakPolarHBondContact O-CB 3.38Å; G387-L391 PolarHBondContact O-N 3.25Å
388T90.5Very high90.9Very high13 Ų1323.6 Ų23.68%0.0814%0.144CC..Hα-helixtrans-67-34.6172.651.30000112L201 P384 I385 L391 G392L201-T388 HydrophobicContact CD2-CG2 4.5Å; P384-T388 WeakPolarHBondContact O-CB 3.13Å; P384-T388 VanDerWaalsContact O-CG2 3.26Å; P384-T388 WeakPolarHBondContact O-CG2 3.31Å; P384-T388 PolarHBondContact O-N 3.46Å; P384-T388 PolarHBondContact O-OG1 2.97Å; I385-T388 PolarHBondContact O-OG1 3.18Å; I385-T388 VanDerWaalsContact O-OG1 3.05Å; T388-L391 PolarHBondContact O-N 3.27Å; T388-G392 PolarHBondContact O-N 2.98Å
389S89.8Confident90.9Very high56 Ų5625.5 Ų25.539%0.39215%0.154SC..Hα-helixtrans-64.3-43.6172.9-580000111.5I385 V386 G387 G392 N393I385-S389 WeakPolarHBondContact O-CB 3.44Å; I385-S389 PolarHBondContact O-N 3.44Å; I385-S389 VanDerWaalsContact O-N 3.11Å; I385-S389 PolarHBondContact O-OG 3.31Å; V386-S389 WeakPolarHBondContact O-CB 3.12Å; V386-S389 PolarHBondContact O-N 3.38Å; G387-S389 VanDerWaalsContact C-N 3.32Å; S389-G392 PolarHBondContact O-N 3.18Å; S389-N393 PolarHBondContact O-N 2.8Å; S389-N393 PolarHBondContact O-ND2 3.06Å
390L93.8Very high90.6Very high0 Ų028.4 Ų28.40%017%0.167CC..Hα-helixtrans-63.4-43174.2178.855.1000111.3C136 L139 Y140 L143 V386 G387 G392 N393 I394 V421C136-L390 HydrophobicContact CB-CD1 3.7Å; L139-L390 HydrophobicContact CB-CB 4.08Å; L139-L390 HydrophobicContact CB-CD1 4.07Å; L139-L390 HydrophobicContact CB-CD2 4.39Å; L139-L390 HydrophobicContact CB-CG 4.41Å; L139-L390 HydrophobicContact CD1-CB 4.15Å; L139-L390 HydrophobicContact CD1-CD1 4.4Å; Y140-L390 HydrophobicContact CD1-CD2 3.71Å; Y140-L390 HydrophobicContact CD2-CD1 4.18Å; Y140-L390 HydrophobicContact CD2-CD2 3.79Å; Y140-L390 HydrophobicContact CE1-CD2 3.77Å; Y140-L390 HydrophobicContact CE2-CD1 4.18Å; Y140-L390 HydrophobicContact CE2-CD2 3.85Å; Y140-L390 HydrophobicContact CE2-CG 4.46Å; Y140-L390 HydrophobicContact CG-CD2 3.71Å; L143-L390 HydrophobicContact CD1-CD2 3.78Å; V386-L390 PolarHBondContact O-N 3.16Å; G387-L390 PolarHBondContact O-N 3.15Å; L390-G392 VanDerWaalsContact C-N 3.32Å; L390-G392 PolarHBondContact O-N 3.26Å; L390-N393 PolarHBondContact O-N 3.02Å; L390-I394 HydrophobicContact CD1-CD1 3.74Å; L390-I394 HydrophobicContact CD1-CG1 3.78Å; L390-I394 HydrophobicContact CD2-CD1 4.5Å; L390-I394 HydrophobicContact CG-CD1 3.82Å; L390-I394 HydrophobicContact CG-CG1 4.27Å; L390-I394 WeakPolarHBondContact O-CG1 3.4Å; L390-I394 PolarHBondContact O-N 3.24Å; L390-V421 HydrophobicContact CB-CG1 4.43Å; L390-V421 HydrophobicContact CD2-CG1 4.08Å; L390-V421 HydrophobicContact CD2-CG2 4.4Å; L390-V421 HydrophobicContact CG-CG1 4.37Å; L390-V421 HydrophobicContact CG-CG2 4.1Å
391L93.3Very high90.4Very high27 Ų2731.2 Ų31.214%0.14118%0.175CC..Hα-helixtrans-56.1-46.6175.2-173151.6000111.3G387 T388 F395 L417 P418 V421G387-L391 WeakPolarHBondContact O-CB 3.38Å; G387-L391 PolarHBondContact O-N 3.25Å; T388-L391 PolarHBondContact O-N 3.27Å; L391-F395 VanDerWaalsContact O-CB 3.23Å; L391-F395 WeakPolarHBondContact O-CB 3.32Å; L391-F395 PolarHBondContact O-N 2.94Å; L391-L417 HydrophobicContact CD1-CB 4.28Å; L391-L417 HydrophobicContact CG-CB 4.15Å; L391-L417 HydrophobicContact CG-CD1 4.45Å; L391-P418 HydrophobicContact CD1-CB 4.49Å; L391-P418 HydrophobicContact CD1-CG 3.87Å; L391-V421 HydrophobicContact CB-CG2 4.14Å
392G89.9Confident90.3Very high30 Ų3035 Ų3531%0.30920%0.202SC..Hα-helixtrans-63.9-40.1176.800000113.5T388 S389 L390 S396T388-G392 PolarHBondContact O-N 2.98Å; S389-G392 PolarHBondContact O-N 3.18Å; L390-G392 VanDerWaalsContact C-N 3.32Å; L390-G392 PolarHBondContact O-N 3.26Å; G392-S396 WeakPolarHBondContact O-CB 3.2Å; G392-S396 PolarHBondContact O-N 2.84Å; G392-S396 PolarHBondContact O-OG 3Å
393N91.5Very high90.3Very high28 Ų2839.5 Ų39.515%0.1523%0.228CC..Hα-helixtrans-68.8-42.5177.3-75.9-55.7000112.2Y132 L139 S389 L390 S396 L397Y132-N393 HydrophobicContact CD1-CB 4.1Å; Y132-N393 HydrophobicContact CE1-CB 4.34Å; Y132-N393 VanDerWaalsContact CE1-OD1 3.23Å; Y132-N393 WeakPolarHBondContact CE1-OD1 3.47Å; L139-N393 WeakPolarHBondContact CD1-ND2 3.17Å; S389-N393 PolarHBondContact O-N 2.8Å; S389-N393 PolarHBondContact O-ND2 3.06Å; L390-N393 PolarHBondContact O-N 3.02Å; N393-S396 WeakPolarHBondContact O-CB 3.48Å; N393-S396 PolarHBondContact O-N 3.32Å; N393-L397 PolarHBondContact O-N 3.35Å
394I93.7Very high90.1Very high18 Ų1843.2 Ų43.29%0.09224%0.244CC..Hα-helixtrans-65.8-42.8174.5-64.6174.6000110.3C136 Y140 L390 S396 L397 C398 L417 V421C136-I394 HydrophobicContact CB-CG1 4.47Å; Y140-I394 HydrophobicContact CE2-CD1 3.93Å; Y140-I394 WeakPolarHBondContact OH-CD1 3.27Å; L390-I394 HydrophobicContact CD1-CD1 3.74Å; L390-I394 HydrophobicContact CD1-CG1 3.78Å; L390-I394 HydrophobicContact CD2-CD1 4.5Å; L390-I394 HydrophobicContact CG-CD1 3.82Å; L390-I394 HydrophobicContact CG-CG1 4.27Å; L390-I394 WeakPolarHBondContact O-CG1 3.4Å; L390-I394 PolarHBondContact O-N 3.24Å; I394-S396 VanDerWaalsContact C-N 3.28Å; I394-S396 PolarHBondContact O-N 3.1Å; I394-L397 CarbonylContact O-C 3.6Å; I394-L397 WeakPolarHBondContact O-CA 3.29Å; I394-L397 WeakPolarHBondContact O-CB 3.48Å; I394-L397 PolarHBondContact O-N 2.91Å; I394-L397 VanDerWaalsContact O-N 3.09Å; I394-C398 PolarHBondContact O-N 2.88Å; I394-C398 PolarHBondContact O-SG 3.47Å; I394-C398 VanDerWaalsContact O-SG 3.36Å; I394-L417 HydrophobicContact CB-CD2 4.3Å; I394-L417 HydrophobicContact CG2-CD2 3.46Å; I394-L417 VanDerWaalsContact CG2-CD2 3.46Å; I394-V421 HydrophobicContact CD1-CG2 3.88Å
395F91.4Very high89.9Confident70 Ų7048.7 Ų48.731%0.30727%0.267SS..Hα-helixtrans-58.8-42.3175.8-176.4-100.2000111.5L391 L397 C398 N399 L413 L417L391-F395 VanDerWaalsContact O-CB 3.23Å; L391-F395 WeakPolarHBondContact O-CB 3.32Å; L391-F395 PolarHBondContact O-N 2.94Å; F395-L397 VanDerWaalsContact C-N 3.35Å; F395-C398 PolarHBondContact O-N 2.9Å; F395-N399 WeakPolarHBondContact CD1-ND2 3.26Å; F395-N399 WeakPolarHBondContact CE1-ND2 3.02Å; F395-N399 PolarHBondContact O-N 3.28Å; F395-N399 VanDerWaalsContact O-N 3.1Å; F395-N399 PolarHBondContact O-ND2 3.48Å; F395-L413 HydrophobicContact CD2-CD2 3.45Å; F395-L413 VanDerWaalsContact CD2-CD2 3.45Å; F395-L413 HydrophobicContact CD2-CG 4.13Å; F395-L413 HydrophobicContact CE2-CD2 3.71Å; F395-L413 HydrophobicContact CE2-CG 4.46Å; F395-L417 HydrophobicContact CB-CD1 3.83Å; F395-L417 HydrophobicContact CD2-CD1 3.94Å; F395-L417 HydrophobicContact CG-CD1 4.4Å
396S88.1Confident90Very high40 Ų4049.8 Ų49.828%0.2828%0.278SS..Hα-helixtrans-61.4-42.8173.8-59.30000111.6G392 N393 I394 N399 F400G392-S396 WeakPolarHBondContact O-CB 3.2Å; G392-S396 PolarHBondContact O-N 2.84Å; G392-S396 PolarHBondContact O-OG 3Å; N393-S396 WeakPolarHBondContact O-CB 3.48Å; N393-S396 PolarHBondContact O-N 3.32Å; I394-S396 VanDerWaalsContact C-N 3.28Å; I394-S396 PolarHBondContact O-N 3.1Å; S396-N399 PolarHBondContact O-N 2.93Å; S396-F400 WeakPolarHBondContact O-CD2 3.29Å
397L90.4Very high89.9Confident31 Ų3154.7 Ų54.716%0.16230%0.304CS..Hα-helixtrans-61.5-44.5175.6-175.863.2000112.2V129 I133 N393 I394 F395 N399 F400 F401V129-L397 HydrophobicContact CB-CD1 4.4Å; V129-L397 HydrophobicContact CG1-CD1 3.97Å; V129-L397 HydrophobicContact CG2-CD1 4.33Å; I133-L397 HydrophobicContact CG1-CD1 4.38Å; I133-L397 HydrophobicContact CG1-CD2 4.05Å; N393-L397 PolarHBondContact O-N 3.35Å; I394-L397 CarbonylContact O-C 3.6Å; I394-L397 WeakPolarHBondContact O-CA 3.29Å; I394-L397 WeakPolarHBondContact O-CB 3.48Å; I394-L397 PolarHBondContact O-N 2.91Å; I394-L397 VanDerWaalsContact O-N 3.09Å; F395-L397 VanDerWaalsContact C-N 3.35Å; L397-N399 VanDerWaalsContact C-N 3.31Å; L397-N399 PolarHBondContact O-N 2.67Å; L397-F400 WeakPolarHBondContact O-CB 3.41Å; L397-F400 PolarHBondContact O-N 3.28Å; L397-F401 WeakPolarHBondContact O-CD2 3.26Å
398C91.7Very high89.8Confident18 Ų1861.4 Ų61.412%0.12234%0.335CS..Hα-helixtrans-59.4-42.1176-69.90000111.6I394 F395 F400 F401 F404 L413I394-C398 PolarHBondContact O-N 2.88Å; I394-C398 PolarHBondContact O-SG 3.47Å; I394-C398 VanDerWaalsContact O-SG 3.36Å; F395-C398 PolarHBondContact O-N 2.9Å; C398-F400 PolarHBondContact O-N 3.39Å; C398-F400 VanDerWaalsContact O-N 3.13Å; C398-F401 PolarHBondContact O-N 2.86Å; C398-F404 HydrophobicContact CB-CB 4.16Å; C398-F404 HydrophobicContact CB-CD2 3.95Å; C398-F404 HydrophobicContact CB-CG 4.03Å; C398-F404 WeakPolarHBondContact O-CD2 3.4Å; C398-L413 HydrophobicContact CB-CD2 3.73Å
399N88.6Confident89.8Confident44 Ų4461.8 Ų61.824%0.23534%0.34CS..Hα-helixtrans-66.7-12.4-179.2-73.7-33.7000114.5F395 S396 L397 F401 K405F395-N399 WeakPolarHBondContact CD1-ND2 3.26Å; F395-N399 WeakPolarHBondContact CE1-ND2 3.02Å; F395-N399 PolarHBondContact O-N 3.28Å; F395-N399 VanDerWaalsContact O-N 3.1Å; F395-N399 PolarHBondContact O-ND2 3.48Å; S396-N399 PolarHBondContact O-N 2.93Å; L397-N399 VanDerWaalsContact C-N 3.31Å; L397-N399 PolarHBondContact O-N 2.67Å; N399-F401 VanDerWaalsContact C-N 3.27Å; N399-K405 WeakPolarHBondContact O-CE 3.48Å
400F86.4Confident89.8Confident67 Ų6762.6 Ų62.629%0.29434%0.338SS..THydrogen-bonded Turntrans-68.1-28.6169-80.7-79.9000112.5L120 N128 V129 Y132 S396 L397 C398L120-F400 HydrophobicContact CD1-CE1 4.11Å; L120-F400 HydrophobicContact CD1-CZ 4.34Å; N128-F400 WeakPolarHBondContact ND2-CZ 3.23Å; V129-F400 HydrophobicContact CG2-CB 4.21Å; V129-F400 HydrophobicContact CG2-CD1 4.3Å; V129-F400 HydrophobicContact CG2-CD2 4.38Å; V129-F400 HydrophobicContact CG2-CG 4.02Å; Y132-F400 HydrophobicContact CD2-CE2 4.27Å; Y132-F400 HydrophobicContact CE2-CE2 4.25Å; S396-F400 WeakPolarHBondContact O-CD2 3.29Å; L397-F400 WeakPolarHBondContact O-CB 3.41Å; L397-F400 PolarHBondContact O-N 3.28Å; C398-F400 PolarHBondContact O-N 3.39Å; C398-F400 VanDerWaalsContact O-N 3.13Å
401F88.3Confident89.6Confident108 Ų10869.7 Ų69.747%0.47437%0.368SS..SBendtrans-93.3127.2179.2-54.5-85.2000110.1L397 C398 N399 V403 F404L397-F401 WeakPolarHBondContact O-CD2 3.26Å; C398-F401 PolarHBondContact O-N 2.86Å; N399-F401 VanDerWaalsContact C-N 3.27Å; F401-V403 PolarHBondContact O-N 3.5Å; F401-V403 VanDerWaalsContact O-N 3.11Å; F401-F404 HydrophobicContact CB-CD2 4Å; F401-F404 HydrophobicContact CB-CE2 4.41Å; F401-F404 PolarHBondContact O-N 3.39Å; F401-F404 VanDerWaalsContact O-N 3.13Å
402S84.8Confident89.5Confident95 Ų9572.5 Ų72.566%0.66438%0.382SS*.G310 helixtrans-55.8-31.5-176.651.40000113.5F404 K405S402-F404 VanDerWaalsContact C-N 3.25Å; S402-F404 PolarHBondContact O-N 2.97Å; S402-K405 WeakPolarHBondContact O-CB 3.32Å; S402-K405 PolarHBondContact O-N 3.44Å; S402-K405 VanDerWaalsContact O-N 3.12Å
403V87.9Confident89.7Confident111 Ų11171.8 Ų71.867%0.67337%0.371SS*.G310 helixtrans-56.9-36.4179.5-178.20000112.4F401 K405F401-V403 PolarHBondContact O-N 3.5Å; F401-V403 VanDerWaalsContact O-N 3.11Å; V403-K405 VanDerWaalsContact C-N 3.35Å
404F88.3Confident89.5Confident78 Ų7877.6 Ų77.634%0.34240%0.396SS..G310 helixtrans-87.6-0.3-177.7-62.6-68.2000114C398 F401 S402C398-F404 HydrophobicContact CB-CB 4.16Å; C398-F404 HydrophobicContact CB-CD2 3.95Å; C398-F404 HydrophobicContact CB-CG 4.03Å; C398-F404 WeakPolarHBondContact O-CD2 3.4Å; F401-F404 HydrophobicContact CB-CD2 4Å; F401-F404 HydrophobicContact CB-CE2 4.41Å; F401-F404 PolarHBondContact O-N 3.39Å; F401-F404 VanDerWaalsContact O-N 3.13Å; S402-F404 VanDerWaalsContact C-N 3.25Å; S402-F404 PolarHBondContact O-N 2.97Å
405K87.2Confident89.4Confident127 Ų12784.5 Ų84.555%0.55242%0.421SS*.G310 helixtrans-79.8-14.9-178.8-65.7-172.1177.8-175.90114.2N399 S402 V403N399-K405 WeakPolarHBondContact O-CE 3.48Å; S402-K405 WeakPolarHBondContact O-CB 3.32Å; S402-K405 PolarHBondContact O-N 3.44Å; S402-K405 VanDerWaalsContact O-N 3.12Å; V403-K405 VanDerWaalsContact C-N 3.35Å
406S89.7Confident89.5Confident66 Ų6685.3 Ų85.346%0.46243%0.428SS..SBendtrans-63.7141.2176.5170.60000111.5Q408 A409 Q410S406-Q408 PolarHBondContact O-N 3.02Å; S406-Q408 PolarHBondContact OG-N 3.04Å; S406-A409 WeakPolarHBondContact O-CA 3.35Å; S406-A409 WeakPolarHBondContact O-CB 3.23Å; S406-A409 PolarHBondContact O-N 3.25Å; S406-Q410 PolarHBondContact O-N 3.19Å
407D89.2Confident89.8Confident122 Ų12283.7 Ų83.765%0.65242%0.416SS*.Hα-helixtrans-55.3-38.1177.8-69.5-23.9000112.5Q410 K411D407-Q410 PolarHBondContact O-N 3.14Å; D407-K411 WeakPolarHBondContact O-CG 3.5Å; D407-K411 PolarHBondContact O-N 2.97Å; D407-K411 VanDerWaalsContact O-N 3.07Å
408Q91Very high90Very high140 Ų14082.4 Ų82.465%0.65441%0.41SS*.Hα-helixtrans-67.2-42.1176.4-174.9178.8-600111S406 Q410 K411 I412S406-Q408 PolarHBondContact O-N 3.02Å; S406-Q408 PolarHBondContact OG-N 3.04Å; Q408-Q410 VanDerWaalsContact C-N 3.34Å; Q408-Q410 PolarHBondContact O-N 3.25Å; Q408-K411 PolarHBondContact O-N 3.33Å; Q408-I412 HydrophobicContact CG-CD1 4.06Å; Q408-I412 VanDerWaalsContact O-CG1 3.31Å; Q408-I412 WeakPolarHBondContact O-CG1 3.18Å; Q408-I412 PolarHBondContact O-N 3.44Å
409A90.5Very high90.1Very high22 Ų2286.1 Ų86.118%0.18242%0.424CS..Hα-helixtrans-63.1-41.517700000111.1S406 K411 I412 L413S406-A409 WeakPolarHBondContact O-CA 3.35Å; S406-A409 WeakPolarHBondContact O-CB 3.23Å; S406-A409 PolarHBondContact O-N 3.25Å; A409-K411 PolarHBondContact O-N 3.46Å; A409-I412 PolarHBondContact O-N 2.92Å; A409-L413 WeakPolarHBondContact O-CB 3.39Å; A409-L413 PolarHBondContact O-N 3.44Å
410Q90.5Very high90.4Very high73 Ų7386.8 Ų86.834%0.34143%0.43SS..Hα-helixtrans-63.7-40.5176.6-69.2-170.1-9.200112.9S406 D407 Q408 L413 K414S406-Q410 PolarHBondContact O-N 3.19Å; D407-Q410 PolarHBondContact O-N 3.14Å; Q408-Q410 VanDerWaalsContact C-N 3.34Å; Q408-Q410 PolarHBondContact O-N 3.25Å; Q410-L413 PolarHBondContact O-N 3.49Å; Q410-K414 PolarHBondContact O-N 3.2Å; Q410-K414 VanDerWaalsContact O-N 3.07Å
411K89.7Confident90.9Very high149 Ų14983.6 Ų83.665%0.64842%0.416SS*.Hα-helixtrans-61-48174-74174.5-175.9176.10111.2D407 Q408 A409 L413 K414 Y415D407-K411 WeakPolarHBondContact O-CG 3.5Å; D407-K411 PolarHBondContact O-N 2.97Å; D407-K411 VanDerWaalsContact O-N 3.07Å; Q408-K411 PolarHBondContact O-N 3.33Å; A409-K411 PolarHBondContact O-N 3.46Å; K411-L413 VanDerWaalsContact C-N 3.35Å; K411-L413 PolarHBondContact O-N 2.96Å; K411-K414 PolarHBondContact O-N 3.1Å; K411-Y415 VanDerWaalsContact O-CD2 3.22Å; K411-Y415 WeakPolarHBondContact O-CD2 3.48Å
412I92Very high91.3Very high85 Ų8578.7 Ų78.744%0.43639%0.394SS..Hα-helixtrans-60.6-46.2177.8-68.4167.5000110.5Q408 A409 K414 Y415 I416Q408-I412 HydrophobicContact CG-CD1 4.06Å; Q408-I412 VanDerWaalsContact O-CG1 3.31Å; Q408-I412 WeakPolarHBondContact O-CG1 3.18Å; Q408-I412 PolarHBondContact O-N 3.44Å; A409-I412 PolarHBondContact O-N 2.92Å; I412-K414 VanDerWaalsContact C-N 3.29Å; I412-K414 PolarHBondContact O-N 3.23Å; I412-Y415 PolarHBondContact O-N 3.39Å; I412-Y415 VanDerWaalsContact O-N 3.09Å; I412-I416 HydrophobicContact CG2-CD1 3.42Å; I412-I416 VanDerWaalsContact CG2-CD1 3.42Å; I412-I416 HydrophobicContact CG2-CG1 4.14Å; I412-I416 WeakPolarHBondContact O-CG1 3.17Å; I412-I416 PolarHBondContact O-N 2.94Å
413L92.2Very high91.9Very high15 Ų1579.1 Ų79.18%0.07939%0.389CS..Hα-helixtrans-59.6-38.9-178.5-169.664.8000111.8F395 C398 A409 Q410 K411 Y415 I416 L417F395-L413 HydrophobicContact CD2-CD2 3.45Å; F395-L413 VanDerWaalsContact CD2-CD2 3.45Å; F395-L413 HydrophobicContact CD2-CG 4.13Å; F395-L413 HydrophobicContact CE2-CD2 3.71Å; F395-L413 HydrophobicContact CE2-CG 4.46Å; C398-L413 HydrophobicContact CB-CD2 3.73Å; A409-L413 WeakPolarHBondContact O-CB 3.39Å; A409-L413 PolarHBondContact O-N 3.44Å; Q410-L413 PolarHBondContact O-N 3.49Å; K411-L413 VanDerWaalsContact C-N 3.35Å; K411-L413 PolarHBondContact O-N 2.96Å; L413-Y415 VanDerWaalsContact C-N 3.27Å; L413-Y415 PolarHBondContact O-N 3.36Å; L413-I416 PolarHBondContact O-N 3.02Å; L413-L417 HydrophobicContact CD1-CD1 3.83Å; L413-L417 HydrophobicContact CD1-CD2 3.64Å; L413-L417 HydrophobicContact CD1-CG 3.47Å; L413-L417 VanDerWaalsContact CD1-CG 3.47Å; L413-L417 HydrophobicContact CD2-CD1 4.09Å; L413-L417 HydrophobicContact CG-CD1 3.54Å; L413-L417 HydrophobicContact CG-CD2 4.31Å; L413-L417 HydrophobicContact CG-CG 3.64Å; L413-L417 VanDerWaalsContact O-CB 3.28Å; L413-L417 WeakPolarHBondContact O-CB 3.35Å; L413-L417 VanDerWaalsContact O-CG 3.25Å; L413-L417 WeakPolarHBondContact O-CG 3.26Å; L413-L417 PolarHBondContact O-N 3.38Å
414K89.2Confident92.4Very high151 Ų15176.6 Ų76.666%0.65738%0.375SS*.Hα-helixtrans-59.8-33.7176.5-172.2178178.6-178.20113.5Q410 K411 I412 P418Q410-K414 PolarHBondContact O-N 3.2Å; Q410-K414 VanDerWaalsContact O-N 3.07Å; K411-K414 PolarHBondContact O-N 3.1Å; I412-K414 VanDerWaalsContact C-N 3.29Å; I412-K414 PolarHBondContact O-N 3.23Å; K414-P418 WeakPolarHBondContact O-CD 3.36Å
415Y90.5Very high92.8Very high162 Ų16272.9 Ų72.964%0.63536%0.358SS*.Hα-helixtrans-86.1-33.3178.3-70.7-74.9000113K411 I412 L413K411-Y415 VanDerWaalsContact O-CD2 3.22Å; K411-Y415 WeakPolarHBondContact O-CD2 3.48Å; I412-Y415 PolarHBondContact O-N 3.39Å; I412-Y415 VanDerWaalsContact O-N 3.09Å; L413-Y415 VanDerWaalsContact C-N 3.27Å; L413-Y415 PolarHBondContact O-N 3.36Å
416I93.2Very high93.3Very high88 Ų8867.8 Ų67.845%0.45134%0.337SS..Hα-helixtrans-82.3-39.6-176.6-67.2-177.5000112.1I412 L413 F419 V420I412-I416 HydrophobicContact CG2-CD1 3.42Å; I412-I416 VanDerWaalsContact CG2-CD1 3.42Å; I412-I416 HydrophobicContact CG2-CG1 4.14Å; I412-I416 WeakPolarHBondContact O-CG1 3.17Å; I412-I416 PolarHBondContact O-N 2.94Å; L413-I416 PolarHBondContact O-N 3.02Å; I416-F419 PolarHBondContact O-N 3.31Å; I416-V420 HydrophobicContact CG2-CG2 3.65Å; I416-V420 PolarHBondContact O-N 2.86Å
417L94.1Very high93.7Very high6 Ų666.1 Ų66.13%0.03133%0.33CS..Hα-helixtrans-56.4-41.6-173.7-79.6-176.8000114.9L391 I394 F395 L413 F419 V420 V421L391-L417 HydrophobicContact CD1-CB 4.28Å; L391-L417 HydrophobicContact CG-CB 4.15Å; L391-L417 HydrophobicContact CG-CD1 4.45Å; I394-L417 HydrophobicContact CB-CD2 4.3Å; I394-L417 HydrophobicContact CG2-CD2 3.46Å; I394-L417 VanDerWaalsContact CG2-CD2 3.46Å; F395-L417 HydrophobicContact CB-CD1 3.83Å; F395-L417 HydrophobicContact CD2-CD1 3.94Å; F395-L417 HydrophobicContact CG-CD1 4.4Å; L413-L417 HydrophobicContact CD1-CD1 3.83Å; L413-L417 HydrophobicContact CD1-CD2 3.64Å; L413-L417 HydrophobicContact CD1-CG 3.47Å; L413-L417 VanDerWaalsContact CD1-CG 3.47Å; L413-L417 HydrophobicContact CD2-CD1 4.09Å; L413-L417 HydrophobicContact CG-CD1 3.54Å; L413-L417 HydrophobicContact CG-CD2 4.31Å; L413-L417 HydrophobicContact CG-CG 3.64Å; L413-L417 VanDerWaalsContact O-CB 3.28Å; L413-L417 WeakPolarHBondContact O-CB 3.35Å; L413-L417 VanDerWaalsContact O-CG 3.25Å; L413-L417 WeakPolarHBondContact O-CG 3.26Å; L413-L417 PolarHBondContact O-N 3.38Å; L417-F419 PolarHBondContact O-N 3.33Å; L417-V420 PolarHBondContact O-N 3.04Å; L417-V420 VanDerWaalsContact O-N 3.14Å; L417-V421 WeakPolarHBondContact O-CB 3.42Å; L417-V421 VanDerWaalsContact O-CG2 3.31Å; L417-V421 WeakPolarHBondContact O-CG2 3.29Å; L417-V421 PolarHBondContact O-N 3.17Å
418P94.4Very high94.1Very high4 Ų463.8 Ų63.83%0.02632%0.317CS..Hα-helixtrans-55.2-39.5176.1-27.735.9000113.1L201 F202 L391 K414 L422L201-P418 HydrophobicContact CB-CB 4.23Å; F202-P418 HydrophobicContact CD1-CB 4.35Å; F202-P418 HydrophobicContact CD1-CG 4Å; F202-P418 HydrophobicContact CD2-CB 4.13Å; F202-P418 HydrophobicContact CE1-CB 4.05Å; F202-P418 HydrophobicContact CE1-CG 3.82Å; F202-P418 HydrophobicContact CE2-CB 3.8Å; F202-P418 HydrophobicContact CE2-CG 4.45Å; F202-P418 HydrophobicContact CG-CB 4.38Å; F202-P418 HydrophobicContact CG-CG 4.39Å; F202-P418 HydrophobicContact CZ-CB 3.75Å; F202-P418 HydrophobicContact CZ-CG 4.05Å; L391-P418 HydrophobicContact CD1-CB 4.49Å; L391-P418 HydrophobicContact CD1-CG 3.87Å; K414-P418 WeakPolarHBondContact O-CD 3.36Å; P418-L422 WeakPolarHBondContact O-CB 3.36Å; P418-L422 PolarHBondContact O-N 3.22Å
419F95.2Very high94.4Very high96 Ų9657.1 Ų57.142%0.42129%0.286SS..Hα-helixtrans-72.8-40176-68.8-67.8000112.5F202 I416 L417 V421 L422 L423F202-F419 HydrophobicContact CE2-CE1 4.43Å; F202-F419 HydrophobicContact CE2-CE2 4.12Å; F202-F419 AromaticContact CE2-CZ 3.99Å; F202-F419 HydrophobicContact CE2-CZ 3.99Å; F202-F419 AromaticContact CZ-CD2 3.96Å; F202-F419 HydrophobicContact CZ-CD2 3.96Å; F202-F419 AromaticContact CZ-CE2 3.48Å; F202-F419 HydrophobicContact CZ-CE2 3.48Å; F202-F419 VanDerWaalsContact CZ-CE2 3.48Å; F202-F419 AromaticContact CZ-CZ 3.81Å; F202-F419 HydrophobicContact CZ-CZ 3.81Å; I416-F419 PolarHBondContact O-N 3.31Å; L417-F419 PolarHBondContact O-N 3.33Å; F419-V421 PolarHBondContact O-N 3.39Å; F419-L422 PolarHBondContact O-N 3.39Å; F419-L423 HydrophobicContact CB-CD1 4.25Å; F419-L423 WeakPolarHBondContact O-CB 3.26Å; F419-L423 WeakPolarHBondContact O-CG 3.39Å; F419-L423 PolarHBondContact O-N 3.33Å
420V95.3Very high94.8Very high58 Ų5858.9 Ų58.935%0.35229%0.292SS..Hα-helixtrans-58.6-40.4174.71720000110.5Y140 I416 L417 P424Y140-V420 PolarHBondContact OH-O 3.17Å; I416-V420 HydrophobicContact CG2-CG2 3.65Å; I416-V420 PolarHBondContact O-N 2.86Å; L417-V420 PolarHBondContact O-N 3.04Å; L417-V420 VanDerWaalsContact O-N 3.14Å; V420-P424 WeakPolarHBondContact O-CD 3.46Å; V420-P424 WeakPolarHBondContact O-CG 3.47Å
421V96.3Very high95Very high0 Ų062 Ų620%031%0.309CS..Hα-helixtrans-69.4-39.5176.51670000112.3Y140 L143 L201 L390 L391 I394 L417 F419 P425Y140-V421 WeakPolarHBondContact CE1-O 3.45Å; L143-V421 HydrophobicContact CD1-CG1 3.88Å; L201-V421 HydrophobicContact CD1-CG1 4.31Å; L390-V421 HydrophobicContact CB-CG1 4.43Å; L390-V421 HydrophobicContact CD2-CG1 4.08Å; L390-V421 HydrophobicContact CD2-CG2 4.4Å; L390-V421 HydrophobicContact CG-CG1 4.37Å; L390-V421 HydrophobicContact CG-CG2 4.1Å; L391-V421 HydrophobicContact CB-CG2 4.14Å; I394-V421 HydrophobicContact CD1-CG2 3.88Å; L417-V421 WeakPolarHBondContact O-CB 3.42Å; L417-V421 VanDerWaalsContact O-CG2 3.31Å; L417-V421 WeakPolarHBondContact O-CG2 3.29Å; L417-V421 PolarHBondContact O-N 3.17Å; F419-V421 PolarHBondContact O-N 3.39Å; V421-P425 VanDerWaalsContact O-CD 3.23Å; V421-P425 WeakPolarHBondContact O-CD 3.49Å; V421-P425 VanDerWaalsContact O-CG 3.25Å; V421-P425 WeakPolarHBondContact O-CG 3.38Å
422L96.6Very high95.2Very high5 Ų556.7 Ų56.73%0.02629%0.289CS..Hα-helixtrans-85.3-42.2-170.7-176.565.1000114C198 L201 F383 P418 F419 P425 L426C198-L422 HydrophobicContact CB-CD2 3.52Å; L201-L422 HydrophobicContact CD1-CB 3.87Å; L201-L422 HydrophobicContact CD1-CD1 4Å; L201-L422 HydrophobicContact CD1-CG 4.33Å; F383-L422 HydrophobicContact CE1-CD1 3.88Å; F383-L422 HydrophobicContact CZ-CD1 3.94Å; P418-L422 WeakPolarHBondContact O-CB 3.36Å; P418-L422 PolarHBondContact O-N 3.22Å; F419-L422 PolarHBondContact O-N 3.39Å; L422-P425 VanDerWaalsContact O-CD 3.29Å; L422-P425 WeakPolarHBondContact O-CD 3.36Å; L422-P425 WeakPolarHBondContact O-CG 3.06Å; L422-L426 HydrophobicContact CD1-CD1 3.88Å; L422-L426 HydrophobicContact CD1-CG 4.27Å; L422-L426 HydrophobicContact CD2-CD1 4.34Å; L422-L426 HydrophobicContact CG-CD1 3.72Å; L422-L426 HydrophobicContact CG-CG 4.44Å; L422-L426 VanDerWaalsContact O-CG 3.27Å; L422-L426 WeakPolarHBondContact O-CG 3.24Å; L422-L426 PolarHBondContact O-N 3.3Å
423L96.8Very high95.3Very high104 Ų10454.8 Ų54.855%0.54528%0.279SS..Hα-helixtrans-70.4-44.7-169.1-66.9176.4000114.2F419 L426 G427F419-L423 HydrophobicContact CB-CD1 4.25Å; F419-L423 WeakPolarHBondContact O-CB 3.26Å; F419-L423 WeakPolarHBondContact O-CG 3.39Å; F419-L423 PolarHBondContact O-N 3.33Å; L423-L426 PolarHBondContact O-N 2.95Å; L423-G427 PolarHBondContact O-N 2.83Å
424P97.7Very high95.4Very high58 Ų5857.5 Ų57.538%0.37729%0.293SS..Hα-helixtrans-57.4-49.2178.4-23.434000114.8Y140 V420 L426 G427 I428Y140-P424 HydrophobicContact CD1-CB 4.34Å; Y140-P424 HydrophobicContact CE1-CB 3.96Å; Y140-P424 HydrophobicContact CE1-CG 3.96Å; V420-P424 WeakPolarHBondContact O-CD 3.46Å; V420-P424 WeakPolarHBondContact O-CG 3.47Å; P424-L426 VanDerWaalsContact C-N 3.34Å; P424-L426 PolarHBondContact O-N 3.4Å; P424-G427 PolarHBondContact O-N 3.17Å; P424-I428 WeakPolarHBondContact O-CG1 3.41Å; P424-I428 PolarHBondContact O-N 3.04Å
425P98Very high95.7Very high0 Ų050.4 Ų50.40%026%0.262CS..Hα-helixtrans-64.8-38.718021.7-28.3000111.7Y140 L143 T144 V421 L422 G427 I428 S429Y140-P425 HydrophobicContact CD1-CG 4.24Å; L143-P425 HydrophobicContact CB-CB 3.75Å; L143-P425 HydrophobicContact CB-CG 3.86Å; L143-P425 HydrophobicContact CD1-CG 4.3Å; T144-P425 WeakPolarHBondContact OG1-CA 3.34Å; T144-P425 WeakPolarHBondContact OG1-CB 3.05Å; V421-P425 VanDerWaalsContact O-CD 3.23Å; V421-P425 WeakPolarHBondContact O-CD 3.49Å; V421-P425 VanDerWaalsContact O-CG 3.25Å; V421-P425 WeakPolarHBondContact O-CG 3.38Å; L422-P425 VanDerWaalsContact O-CD 3.29Å; L422-P425 WeakPolarHBondContact O-CD 3.36Å; L422-P425 WeakPolarHBondContact O-CG 3.06Å; P425-G427 VanDerWaalsContact C-N 3.35Å; P425-G427 PolarHBondContact O-N 2.89Å; P425-I428 PolarHBondContact O-N 2.74Å; P425-S429 WeakPolarHBondContact O-CB 3.26Å; P425-S429 PolarHBondContact O-N 2.83Å; P425-S429 PolarHBondContact O-OG 2.72Å; P425-S429 VanDerWaalsContact O-OG 3.11Å
426L97.9Very high95.9Very high19 Ų1943.2 Ų43.210%0.09924%0.238CC..Hα-helixtrans-62.3-41.6173.1-65.8177.3000112V190 F193 L422 L423 P424 I428 S429 L430V190-L426 HydrophobicContact CG1-CD2 4.02Å; F193-L426 HydrophobicContact CD1-CD2 4.32Å; L422-L426 HydrophobicContact CD1-CD1 3.88Å; L422-L426 HydrophobicContact CD1-CG 4.27Å; L422-L426 HydrophobicContact CD2-CD1 4.34Å; L422-L426 HydrophobicContact CG-CD1 3.72Å; L422-L426 HydrophobicContact CG-CG 4.44Å; L422-L426 VanDerWaalsContact O-CG 3.27Å; L422-L426 WeakPolarHBondContact O-CG 3.24Å; L422-L426 PolarHBondContact O-N 3.3Å; L423-L426 PolarHBondContact O-N 2.95Å; P424-L426 VanDerWaalsContact C-N 3.34Å; P424-L426 PolarHBondContact O-N 3.4Å; L426-I428 PolarHBondContact O-N 2.89Å; L426-S429 PolarHBondContact O-N 2.89Å; L426-L430 WeakPolarHBondContact O-CG 3.28Å; L426-L430 PolarHBondContact O-N 3.48Å
427G97.8Very high95.9Very high31 Ų3142.8 Ų42.832%0.3223%0.231SC..Hα-helixtrans-60.5-43.9176.800000112.3L423 P424 P425 L430 I431L423-G427 PolarHBondContact O-N 2.83Å; P424-G427 PolarHBondContact O-N 3.17Å; P425-G427 VanDerWaalsContact C-N 3.35Å; P425-G427 PolarHBondContact O-N 2.89Å; G427-L430 PolarHBondContact O-N 3.13Å; G427-I431 WeakPolarHBondContact O-CG1 3.38Å
428I97.6Very high96Very high74 Ų7443 Ų4338%0.37923%0.232SC..Hα-helixtrans-66.4-41.2175.9-60.9165.9000110.5T144 P424 P425 L426 L430 I431 T432 L438T144-I428 HydrophobicContact CG2-CB 3.69Å; T144-I428 HydrophobicContact CG2-CG2 3.45Å; T144-I428 VanDerWaalsContact CG2-CG2 3.45Å; P424-I428 WeakPolarHBondContact O-CG1 3.41Å; P424-I428 PolarHBondContact O-N 3.04Å; P425-I428 PolarHBondContact O-N 2.74Å; L426-I428 PolarHBondContact O-N 2.89Å; I428-L430 VanDerWaalsContact C-N 3.32Å; I428-L430 PolarHBondContact O-N 2.83Å; I428-I431 PolarHBondContact O-N 3.05Å; I428-I431 VanDerWaalsContact O-N 3.12Å; I428-T432 PolarHBondContact O-N 3.48Å; I428-L438 HydrophobicContact CG2-CD2 4.02Å
429S97.8Very high96Very high0 Ų042.8 Ų42.80%023%0.231CC..Hα-helixtrans-63.1-32.6175.9-67.10000113.8T144 S147 S148 Y186 P425 L426 I431T144-S429 PolarHBondContact O-OG 3.34Å; S147-S429 PolarHBondContact OG-OG 3.17Å; S148-S429 PolarHBondContact N-OG 3.07Å; S148-S429 WeakPolarHBondContact OG-CB 3.19Å; S148-S429 PolarHBondContact OG-OG 2.88Å; Y186-S429 VanDerWaalsContact CE1-O 3.27Å; Y186-S429 WeakPolarHBondContact CE1-O 3.09Å; Y186-S429 PolarHBondContact OH-O 2.97Å; P425-S429 WeakPolarHBondContact O-CB 3.26Å; P425-S429 PolarHBondContact O-N 2.83Å; P425-S429 PolarHBondContact O-OG 2.72Å; P425-S429 VanDerWaalsContact O-OG 3.11Å; L426-S429 PolarHBondContact O-N 2.89Å; S429-I431 PolarHBondContact O-N 2.93Å
430L97.4Very high95.9Very high58 Ų5838.2 Ų38.230%0.30421%0.211SC..Hα-helixtrans-66.4-25.9175.1-72.7171.1000112.9R187 V190 V191 L426 G427 I428R187-L430 HydrophobicContact CB-CD2 3.97Å; R187-L430 HydrophobicContact CG-CD2 4.08Å; R187-L430 PolarHBondContact NE-O 2.94Å; V190-L430 HydrophobicContact CB-CD2 3.89Å; V190-L430 HydrophobicContact CG1-CD2 3.85Å; V190-L430 HydrophobicContact CG1-CG 3.97Å; V191-L430 HydrophobicContact CG2-CD2 4.27Å; L426-L430 WeakPolarHBondContact O-CG 3.28Å; L426-L430 PolarHBondContact O-N 3.48Å; G427-L430 PolarHBondContact O-N 3.13Å; I428-L430 VanDerWaalsContact C-N 3.32Å; I428-L430 PolarHBondContact O-N 2.83Å
431I95.3Very high95.8Very high138 Ų13838.7 Ų38.771%0.70821%0.208SC*.Hα-helixtrans-90.5-46.2179.6-59.9167.5000110.4G427 I428 S429G427-I431 WeakPolarHBondContact O-CG1 3.38Å; I428-I431 PolarHBondContact O-N 3.05Å; I428-I431 VanDerWaalsContact O-N 3.12Å; S429-I431 PolarHBondContact O-N 2.93Å
432T94.2Very high95.7Very high38 Ų3838.9 Ų38.923%0.23321%0.209CC..  trans-122.3117.5-171.2-59.30000111.3I428 N434 Y437 L438I428-T432 PolarHBondContact O-N 3.48Å; T432-N434 HydrophobicContact CG2-CB 4.46Å; T432-Y437 HydrophobicContact CG2-CD1 4.2Å; T432-L438 HydrophobicContact CG2-CD1 4.29Å; T432-L438 HydrophobicContact CG2-CD2 4.07Å; T432-L438 HydrophobicContact CG2-CG 4.01Å
433H93.6Very high95.6Very high45 Ų4538.6 Ų38.621%0.20821%0.208CC..  trans-105.31.3178.367.4-91000113.4K152 D170 Y186 V435K152-H433 WeakPolarHBondContact CD-O 3.44Å; K152-H433 PolarHBondContact NZ-O 2.9Å; D170-H433 IonicContact OD2-CE1 3.33Å; D170-H433 PolarHBondContact OD2-CE1 2.83Å; D170-H433 IonicContact OD2-NE2 3.17Å; D170-H433 PolarHBondContact OD2-NE2 3.46Å; D170-H433 VanDerWaalsContact OD2-NE2 3.17Å; Y186-H433 HydrophobicContact CD1-CB 4.19Å; Y186-H433 HydrophobicContact CE1-CB 3.57Å; Y186-H433 HydrophobicContact CE2-CB 4.07Å; Y186-H433 VanDerWaalsContact CZ-CB 3.49Å; H433-V435 PolarHBondContact O-N 3.32Å
434N94.5Very high95.5Very high72 Ų7233.7 Ų33.739%0.38518%0.182SC..  trans-83.1101.9176.8-174-31.8000109.6T432 G436 Y437 L438T432-N434 HydrophobicContact CG2-CB 4.46Å; N434-G436 PolarHBondContact OD1-N 3.05Å; N434-G436 VanDerWaalsContact OD1-N 3.15Å; N434-Y437 PolarHBondContact O-N 2.64Å; N434-Y437 PolarHBondContact OD1-N 3.28Å; N434-L438 WeakPolarHBondContact O-CG 3.33Å; N434-L438 PolarHBondContact O-N 3.06Å; N434-L438 VanDerWaalsContact O-N 3.16Å
435V95.7Very high95.3Very high2 Ų232.7 Ų32.71%0.01217%0.173CC..Hα-helixtrans-71.4-36.8-176.2-175.10000110.7T32 I145 A149 K152 D341 I342 H433 Y437 L438 T439T32-V435 HydrophobicContact CG2-CG1 3.96Å; I145-V435 HydrophobicContact CG2-CG1 3.83Å; A149-V435 HydrophobicContact CB-CG1 4.2Å; A149-V435 HydrophobicContact CB-CG2 4.07Å; K152-V435 HydrophobicContact CD-CG2 4.33Å; D341-V435 PolarHBondContact OD2-N 3.39Å; I342-V435 HydrophobicContact CD1-CB 4.33Å; I342-V435 HydrophobicContact CD1-CG2 3.82Å; I342-V435 HydrophobicContact CG1-CB 3.96Å; I342-V435 HydrophobicContact CG1-CG1 4.25Å; I342-V435 HydrophobicContact CG1-CG2 3.99Å; H433-V435 PolarHBondContact O-N 3.32Å; V435-Y437 VanDerWaalsContact C-N 3.33Å; V435-Y437 PolarHBondContact O-N 3.3Å; V435-L438 PolarHBondContact O-N 3.46Å; V435-T439 WeakPolarHBondContact O-CB 3.44Å; V435-T439 PolarHBondContact O-N 3.05Å; V435-T439 PolarHBondContact O-OG1 2.72Å
436G94.5Very high95.1Very high11 Ų1135.1 Ų35.111%0.11318%0.184CC..Hα-helixtrans-59.9-42.8175.600000112.3N434 G440N434-G436 PolarHBondContact OD1-N 3.05Å; N434-G436 VanDerWaalsContact OD1-N 3.15Å; G436-G440 PolarHBondContact O-N 3.26Å
437Y93.1Very high95Very high79 Ų7934.2 Ų34.231%0.3118%0.179SC..Hα-helixtrans-62.5-49174.6176.2-89.9000112.1T432 N434 V435 T439 G440 F441 K572T432-Y437 HydrophobicContact CG2-CD1 4.2Å; N434-Y437 PolarHBondContact O-N 2.64Å; N434-Y437 PolarHBondContact OD1-N 3.28Å; V435-Y437 VanDerWaalsContact C-N 3.33Å; V435-Y437 PolarHBondContact O-N 3.3Å; Y437-T439 VanDerWaalsContact C-N 3.32Å; Y437-T439 PolarHBondContact O-N 3.46Å; Y437-G440 PolarHBondContact O-N 2.93Å; Y437-F441 WeakPolarHBondContact O-CB 3.37Å; Y437-F441 PolarHBondContact O-N 2.94Å; Y437-K572 HydrophobicContact CD2-CD 4.26Å; Y437-K572 HydrophobicContact CE2-CD 3.47Å; Y437-K572 VanDerWaalsContact CE2-CD 3.47Å
438L95.3Very high94.8Very high11 Ų1132.9 Ų32.96%0.05817%0.165CC..Hα-helixtrans-61-41.7179.7-70.3168.3000111.8T144 I145 S148 I428 T432 N434 V435 T442T144-L438 HydrophobicContact CG2-CD1 4.07Å; T144-L438 HydrophobicContact CG2-CD2 3.82Å; I145-L438 HydrophobicContact CG1-CB 3.94Å; S148-L438 WeakPolarHBondContact OG-CD1 3.37Å; I428-L438 HydrophobicContact CG2-CD2 4.02Å; T432-L438 HydrophobicContact CG2-CD1 4.29Å; T432-L438 HydrophobicContact CG2-CD2 4.07Å; T432-L438 HydrophobicContact CG2-CG 4.01Å; N434-L438 WeakPolarHBondContact O-CG 3.33Å; N434-L438 PolarHBondContact O-N 3.06Å; N434-L438 VanDerWaalsContact O-N 3.16Å; V435-L438 PolarHBondContact O-N 3.46Å; L438-T442 VanDerWaalsContact O-CB 3.27Å; L438-T442 WeakPolarHBondContact O-CB 3.49Å; L438-T442 PolarHBondContact O-N 2.92Å; L438-T442 PolarHBondContact O-OG1 2.64Å
439T95.2Very high94.7Very high0 Ų029.5 Ų29.50%015%0.149CC..Hα-helixtrans-64.5-47.1175.3-60.60000111.5T32 V285 Y288 V435 Y437 F441 T442 G443T32-T439 WeakPolarHBondContact OG1-CG2 3.32Å; V285-T439 HydrophobicContact CG1-CG2 4.41Å; V285-T439 HydrophobicContact CG2-CG2 4.2Å; Y288-T439 HydrophobicContact CD1-CG2 3.32Å; Y288-T439 HydrophobicContact CD2-CG2 4.36Å; Y288-T439 HydrophobicContact CE1-CG2 3.97Å; Y288-T439 HydrophobicContact CG-CG2 3.55Å; V435-T439 WeakPolarHBondContact O-CB 3.44Å; V435-T439 PolarHBondContact O-N 3.05Å; V435-T439 PolarHBondContact O-OG1 2.72Å; Y437-T439 VanDerWaalsContact C-N 3.32Å; Y437-T439 PolarHBondContact O-N 3.46Å; T439-F441 PolarHBondContact O-N 3.28Å; T439-T442 PolarHBondContact O-N 3.23Å; T439-G443 PolarHBondContact O-N 3Å
440G93.7Very high94.5Very high0 Ų029.5 Ų29.50%015%0.149CC..Hα-helixtrans-58-47.1176.200000112.4G284 G436 Y437 A444G284-G440 WeakPolarHBondContact CA-O 3.48Å; G436-G440 PolarHBondContact O-N 3.26Å; Y437-G440 PolarHBondContact O-N 2.93Å; G440-A444 WeakPolarHBondContact O-CB 3.38Å; G440-A444 PolarHBondContact O-N 3.4Å
441F93Very high94.4Very high67 Ų6726.8 Ų26.829%0.29413%0.134SC..Hα-helixtrans-63.5-50.1178.1-177-89.5000112.3Y437 T439 G443 A444 I445 F446 K572Y437-F441 WeakPolarHBondContact O-CB 3.37Å; Y437-F441 PolarHBondContact O-N 2.94Å; T439-F441 PolarHBondContact O-N 3.28Å; F441-G443 PolarHBondContact O-N 3.31Å; F441-A444 PolarHBondContact O-N 3.49Å; F441-I445 HydrophobicContact CD1-CD1 4.33Å; F441-I445 HydrophobicContact CD2-CD1 3.7Å; F441-I445 HydrophobicContact CE1-CD1 3.96Å; F441-I445 HydrophobicContact CE2-CD1 3.28Å; F441-I445 HydrophobicContact CG-CD1 4.22Å; F441-I445 HydrophobicContact CZ-CD1 3.43Å; F441-I445 VanDerWaalsContact CZ-CD1 3.43Å; F441-I445 PolarHBondContact O-N 2.92Å; F441-I445 VanDerWaalsContact O-N 3.15Å; F441-F446 HydrophobicContact CD1-CE2 4.36Å; F441-F446 AromaticContact CE1-CE2 3.89Å; F441-F446 HydrophobicContact CE1-CE2 3.89Å; F441-F446 HydrophobicContact CE1-CZ 4.2Å; F441-K572 HydrophobicContact CD2-CG 4.47Å
442T94.7Very high94.4Very high4 Ų420.2 Ų20.23%0.02510%0.101CC..Hα-helixtrans-60.6-47.6-178.4-61.50000111.3Y138 G141 I145 Y288 L438 T439 F446 G447Y138-T442 HydrophobicContact CD2-CG2 3.96Å; Y138-T442 HydrophobicContact CE2-CG2 4.15Å; G141-T442 WeakPolarHBondContact CA-OG1 3.35Å; I145-T442 HydrophobicContact CD1-CG2 4.36Å; Y288-T442 HydrophobicContact CD2-CG2 4.23Å; Y288-T442 HydrophobicContact CE2-CG2 4.18Å; L438-T442 VanDerWaalsContact O-CB 3.27Å; L438-T442 WeakPolarHBondContact O-CB 3.49Å; L438-T442 PolarHBondContact O-N 2.92Å; L438-T442 PolarHBondContact O-OG1 2.64Å; T439-T442 PolarHBondContact O-N 3.23Å; T442-F446 HydrophobicContact CG2-CD2 4.5Å; T442-F446 PolarHBondContact O-N 2.99Å; T442-F446 VanDerWaalsContact O-N 3.07Å; T442-G447 PolarHBondContact O-N 3.08Å
443G94.8Very high94.4Very high0 Ų020.5 Ų20.50%010%0.1CC..Iπ-helixtrans-65.4-44.3178.700000112.6G284 V287 T439 F441 I445 G447 S448G284-G443 WeakPolarHBondContact O-CA 3.45Å; V287-G443 WeakPolarHBondContact CG1-O 3.21Å; T439-G443 PolarHBondContact O-N 3Å; F441-G443 PolarHBondContact O-N 3.31Å; G443-I445 PolarHBondContact O-N 3.08Å; G443-G447 CarbonylContact O-C 3.52Å; G443-G447 WeakPolarHBondContact O-CA 3.46Å; G443-G447 PolarHBondContact O-N 3.29Å; G443-S448 PolarHBondContact O-N 3.03Å
444A93.6Very high94.5Very high0 Ų019.1 Ų19.10%09%0.094CC..Iπ-helixtrans-69.7-34.1-174.800000114.7F283 G440 F441 S448 T565 V568F283-A444 HydrophobicContact CD1-CB 4.08Å; F283-A444 HydrophobicContact CE1-CB 4.19Å; G440-A444 WeakPolarHBondContact O-CB 3.38Å; G440-A444 PolarHBondContact O-N 3.4Å; F441-A444 PolarHBondContact O-N 3.49Å; A444-S448 VanDerWaalsContact O-CB 3.28Å; A444-S448 WeakPolarHBondContact O-CB 3.35Å; A444-S448 PolarHBondContact O-OG 2.93Å; A444-T565 PolarHBondContact O-OG1 3.09Å; A444-V568 HydrophobicContact CB-CB 3.74Å; A444-V568 HydrophobicContact CB-CG1 3.49Å; A444-V568 VanDerWaalsContact CB-CG1 3.49Å; A444-V568 HydrophobicContact CB-CG2 3.69Å
445I92.7Very high94.5Very high37 Ų3715.7 Ų15.719%0.198%0.076CC..Iπ-helixtrans-99.1-53.8-174.5-60.9175.9000111.1F441 G443 S448F441-I445 HydrophobicContact CD1-CD1 4.33Å; F441-I445 HydrophobicContact CD2-CD1 3.7Å; F441-I445 HydrophobicContact CE1-CD1 3.96Å; F441-I445 HydrophobicContact CE2-CD1 3.28Å; F441-I445 HydrophobicContact CG-CD1 4.22Å; F441-I445 HydrophobicContact CZ-CD1 3.43Å; F441-I445 VanDerWaalsContact CZ-CD1 3.43Å; F441-I445 PolarHBondContact O-N 2.92Å; F441-I445 VanDerWaalsContact O-N 3.15Å; G443-I445 PolarHBondContact O-N 3.08Å; I445-S448 PolarHBondContact O-OG 3.08Å
446F95Very high94.5Very high52 Ų5215.6 Ų15.623%0.2288%0.075CC..Iπ-helixtrans-90.6-41.6-175.3-49.2-54.9000111.2N134 A137 Y138 F441 T442 S448 G449 I450N134-F446 PolarHBondContact ND2-O 3.45Å; N134-F446 PolarHBondContact OD1-O 2.84Å; A137-F446 HydrophobicContact CB-CD1 3.47Å; A137-F446 VanDerWaalsContact CB-CD1 3.47Å; A137-F446 HydrophobicContact CB-CD2 4.27Å; A137-F446 HydrophobicContact CB-CE1 3.55Å; A137-F446 HydrophobicContact CB-CE2 4.33Å; A137-F446 HydrophobicContact CB-CG 3.87Å; A137-F446 HydrophobicContact CB-CZ 3.99Å; Y138-F446 HydrophobicContact CD2-CB 4.42Å; F441-F446 HydrophobicContact CD1-CE2 4.36Å; F441-F446 AromaticContact CE1-CE2 3.89Å; F441-F446 HydrophobicContact CE1-CE2 3.89Å; F441-F446 HydrophobicContact CE1-CZ 4.2Å; T442-F446 HydrophobicContact CG2-CD2 4.5Å; T442-F446 PolarHBondContact O-N 2.99Å; T442-F446 VanDerWaalsContact O-N 3.07Å; F446-S448 VanDerWaalsContact C-N 3.33Å; F446-S448 PolarHBondContact O-N 3.28Å; F446-G449 PolarHBondContact O-N 2.84Å; F446-G449 VanDerWaalsContact O-N 3.16Å; F446-I450 PolarHBondContact O-N 3.25Å
447G94.9Very high94.6Very high0 Ų018.4 Ų18.40%09%0.087CC..Iπ-helixtrans-60.2-39.4175.500000112.8T442 G443 G449 I450 Q451T442-G447 PolarHBondContact O-N 3.08Å; G443-G447 CarbonylContact O-C 3.52Å; G443-G447 WeakPolarHBondContact O-CA 3.46Å; G443-G447 PolarHBondContact O-N 3.29Å; G447-G449 VanDerWaalsContact C-N 3.25Å; G447-G449 PolarHBondContact O-N 2.63Å; G447-I450 PolarHBondContact O-N 2.94Å; G447-Q451 WeakPolarHBondContact O-CB 3.42Å; G447-Q451 PolarHBondContact O-N 2.81Å
448S94.2Very high94.6Very high2 Ų214.6 Ų14.61%0.0147%0.073CC..Hα-helixtrans-61.9-33.7176.570.50000112.6G443 A444 I445 F446 Y452 I453 T565G443-S448 PolarHBondContact O-N 3.03Å; A444-S448 VanDerWaalsContact O-CB 3.28Å; A444-S448 WeakPolarHBondContact O-CB 3.35Å; A444-S448 PolarHBondContact O-OG 2.93Å; I445-S448 PolarHBondContact O-OG 3.08Å; F446-S448 VanDerWaalsContact C-N 3.33Å; F446-S448 PolarHBondContact O-N 3.28Å; S448-Y452 WeakPolarHBondContact O-CA 3.17Å; S448-Y452 VanDerWaalsContact O-CB 3.31Å; S448-Y452 WeakPolarHBondContact O-CB 3.43Å; S448-Y452 PolarHBondContact O-N 2.81Å; S448-I453 PolarHBondContact O-N 3.44Å; S448-T565 WeakPolarHBondContact CB-OG1 3.49Å; S448-T565 PolarHBondContact OG-OG1 3.27Å
449G94.5Very high94.6Very high4 Ų414.1 Ų14.14%0.0417%0.07CC..Iπ-helixtrans-59.4-59.9170.500000111.2F446 G447 Q451 I453 I454F446-G449 PolarHBondContact O-N 2.84Å; F446-G449 VanDerWaalsContact O-N 3.16Å; G447-G449 VanDerWaalsContact C-N 3.25Å; G447-G449 PolarHBondContact O-N 2.63Å; G449-Q451 PolarHBondContact O-N 3.25Å; G449-I453 PolarHBondContact O-N 3.24Å; G449-I454 WeakPolarHBondContact O-CD1 3.37Å; G449-I454 PolarHBondContact O-N 3.43Å
450I94.5Very high94.6Very high0 Ų017.7 Ų17.70%09%0.086CC..Iπ-helixtrans-64-38.4-176.1-60.8-175.8000112.5N134 I135 Y138 M291 H293 H294 F446 G447 P455N134-I450 WeakPolarHBondContact OD1-CG1 3.35Å; N134-I450 PolarHBondContact OD1-N 3Å; I135-I450 HydrophobicContact CG1-CD1 4.35Å; Y138-I450 VanDerWaalsContact CB-CD1 3.46Å; Y138-I450 HydrophobicContact CD1-CD1 3.72Å; Y138-I450 HydrophobicContact CD2-CD1 4.17Å; Y138-I450 HydrophobicContact CG-CD1 3.48Å; Y138-I450 VanDerWaalsContact CG-CD1 3.48Å; M291-I450 HydrophobicContact CG-CG2 4.32Å; M291-I450 HydrophobicContact SD-CB 4.22Å; M291-I450 HydrophobicContact SD-CD1 4.21Å; M291-I450 HydrophobicContact SD-CG2 3.9Å; H293-I450 HydrophobicContact CB-CG2 4.15Å; H294-I450 HydrophobicContact CB-CG2 3.95Å; F446-I450 PolarHBondContact O-N 3.25Å; G447-I450 PolarHBondContact O-N 2.94Å; I450-P455 WeakPolarHBondContact O-CD 3.34Å; I450-P455 WeakPolarHBondContact O-CG 3.46Å
451Q95.3Very high94.5Very high0 Ų021.6 Ų21.60%010%0.102CC..Iπ-helixtrans-86.9-34.2-172.6-175.3166.1-3200112.6S56 T59 V287 M291 G447 G449 P455S56-Q451 VanDerWaalsContact CB-NE2 3.28Å; S56-Q451 PolarHBondContact OG-NE2 2.79Å; T59-Q451 WeakPolarHBondContact CB-O 3.49Å; T59-Q451 WeakPolarHBondContact CG2-O 3.27Å; T59-Q451 PolarHBondContact OG1-O 3.45Å; V287-Q451 HydrophobicContact CG1-CB 4.38Å; V287-Q451 PolarHBondContact O-OE1 3.13Å; M291-Q451 HydrophobicContact CG-CB 4.41Å; G447-Q451 WeakPolarHBondContact O-CB 3.42Å; G447-Q451 PolarHBondContact O-N 2.81Å; G449-Q451 PolarHBondContact O-N 3.25Å; Q451-P455 WeakPolarHBondContact O-CG 3.46Å
452Y95.7Very high94.5Very high0 Ų018.4 Ų18.40%09%0.088CC..Iπ-helixtrans-117.2-59.4-172.9-55.5-51.7000113.1L52 L55 T59 F283 V287 S448 A456 I557 A561L52-Y452 WeakPolarHBondContact CD2-OH 3.41Å; L55-Y452 HydrophobicContact CB-CE1 3.94Å; T59-Y452 HydrophobicContact CG2-CD1 4.06Å; F283-Y452 HydrophobicContact CE2-CE2 4.18Å; F283-Y452 AromaticContact CZ-CE2 3.99Å; F283-Y452 HydrophobicContact CZ-CE2 3.99Å; V287-Y452 HydrophobicContact CG1-CE2 4.44Å; V287-Y452 HydrophobicContact CG2-CE2 3.71Å; S448-Y452 WeakPolarHBondContact O-CA 3.17Å; S448-Y452 VanDerWaalsContact O-CB 3.31Å; S448-Y452 WeakPolarHBondContact O-CB 3.43Å; S448-Y452 PolarHBondContact O-N 2.81Å; Y452-A456 VanDerWaalsContact O-CB 3.25Å; Y452-A456 WeakPolarHBondContact O-CB 3.38Å; Y452-A456 PolarHBondContact O-N 3.18Å; Y452-I557 HydrophobicContact CD1-CG2 4.32Å; Y452-I557 HydrophobicContact CG-CG2 4.45Å; Y452-A561 HydrophobicContact CD2-CB 4.03Å; Y452-A561 HydrophobicContact CG-CB 4.16Å
453I94.5Very high94.4Very high45 Ų4519.5 Ų19.523%0.2319%0.092CC..Iπ-helixtrans-66.1-52.8-170.4-59.8177.1000110.8S448 G449 A456 L457 A561 L562S448-I453 PolarHBondContact O-N 3.44Å; G449-I453 PolarHBondContact O-N 3.24Å; I453-A456 PolarHBondContact O-N 3.01Å; I453-L457 HydrophobicContact CG2-CD1 3.85Å; I453-L457 HydrophobicContact CG2-CG 4.43Å; I453-L457 WeakPolarHBondContact O-CG 3.31Å; I453-L457 PolarHBondContact O-N 3.11Å; I453-A561 HydrophobicContact CD1-CB 4.49Å; I453-A561 HydrophobicContact CG1-CB 3.88Å; I453-L562 HydrophobicContact CD1-CD2 4.33Å
454I94.7Very high94.2Very high16 Ų1628.2 Ų28.28%0.08213%0.125CC..Hα-helixtrans-65.2-49-176-71.5123000112.1L115 M131 N134 G449 A456 L457 L458L115-I454 HydrophobicContact CD1-CG2 4.38Å; L115-I454 HydrophobicContact CD2-CG2 4.43Å; M131-I454 HydrophobicContact CE-CB 3.88Å; M131-I454 HydrophobicContact CE-CD1 3.66Å; M131-I454 HydrophobicContact CE-CG1 3.85Å; M131-I454 HydrophobicContact CE-CG2 3.46Å; M131-I454 VanDerWaalsContact CE-CG2 3.46Å; M131-I454 HydrophobicContact CG-CG1 4.47Å; M131-I454 HydrophobicContact SD-CB 4.03Å; M131-I454 HydrophobicContact SD-CD1 3.06Å; M131-I454 WeakPolarHBondContact SD-CD1 3.23Å; M131-I454 HydrophobicContact SD-CG1 3.32Å; M131-I454 WeakPolarHBondContact SD-CG1 3.47Å; M131-I454 HydrophobicContact SD-CG2 3.87Å; N134-I454 HydrophobicContact CB-CD1 4.33Å; N134-I454 WeakPolarHBondContact OD1-CD1 3.44Å; G449-I454 WeakPolarHBondContact O-CD1 3.37Å; G449-I454 PolarHBondContact O-N 3.43Å; I454-A456 VanDerWaalsContact C-N 3.3Å; I454-A456 PolarHBondContact O-N 3.31Å; I454-L457 PolarHBondContact O-N 2.98Å; I454-L458 WeakPolarHBondContact O-CB 3.32Å; I454-L458 PolarHBondContact O-N 3.29Å
455P95.8Very high94.1Very high0 Ų031.1 Ų31.10%014%0.137CC..Hα-helixtrans-56.9-41.8177.4-30.539.3000113.5F62 V63 H293 I450 Q451 L458 V459F62-P455 HydrophobicContact CB-CB 4.25Å; V63-P455 HydrophobicContact CG2-CB 3.75Å; V63-P455 HydrophobicContact CG2-CG 3.76Å; H293-P455 HydrophobicContact CB-CG 4.39Å; I450-P455 WeakPolarHBondContact O-CD 3.34Å; I450-P455 WeakPolarHBondContact O-CG 3.46Å; Q451-P455 WeakPolarHBondContact O-CG 3.46Å; P455-L458 PolarHBondContact O-N 3.4Å; P455-V459 WeakPolarHBondContact O-CG1 3.32Å; P455-V459 PolarHBondContact O-N 3.37Å
456A95.6Very high93.9Very high0 Ų029.5 Ų29.50%013%0.128CC..Hα-helixtrans-64.1-46.4178.800000112Y452 I453 I454 L458 V459 F460 I554 I557 I558Y452-A456 VanDerWaalsContact O-CB 3.25Å; Y452-A456 WeakPolarHBondContact O-CB 3.38Å; Y452-A456 PolarHBondContact O-N 3.18Å; I453-A456 PolarHBondContact O-N 3.01Å; I454-A456 VanDerWaalsContact C-N 3.3Å; I454-A456 PolarHBondContact O-N 3.31Å; A456-L458 VanDerWaalsContact C-N 3.34Å; A456-V459 WeakPolarHBondContact O-CG1 3.29Å; A456-F460 WeakPolarHBondContact O-CB 3.48Å; A456-F460 PolarHBondContact O-N 3.48Å; A456-I554 HydrophobicContact CB-CG2 4.14Å; A456-I557 HydrophobicContact CB-CG2 4.09Å; A456-I558 HydrophobicContact CB-CD1 4.14Å; A456-I558 HydrophobicContact CB-CG1 3.86Å
457L94.9Very high93.5Very high69 Ų6929.3 Ų29.336%0.36113%0.131SC..Hα-helixtrans-68.2-35.7176.9-67.6179.1000112.2F123 I453 I454 K461 I558F123-L457 HydrophobicContact CE1-CB 3.71Å; F123-L457 HydrophobicContact CZ-CB 3.64Å; I453-L457 HydrophobicContact CG2-CD1 3.85Å; I453-L457 HydrophobicContact CG2-CG 4.43Å; I453-L457 WeakPolarHBondContact O-CG 3.31Å; I453-L457 PolarHBondContact O-N 3.11Å; I454-L457 PolarHBondContact O-N 2.98Å; L457-K461 WeakPolarHBondContact O-CG 3.27Å; L457-K461 PolarHBondContact O-N 3.45Å; L457-I558 HydrophobicContact CD2-CD1 4Å
458L94.9Very high93.1Very high0 Ų034.8 Ų34.80%016%0.156CC..Hα-helixtrans-67.2-50.6-176.9-174.175.5000110.4A66 L115 M118 Y122 F123 I454 P455 A456 F460 K461 A462A66-L458 HydrophobicContact CB-CD2 3.57Å; A66-L458 HydrophobicContact CB-CG 3.7Å; L115-L458 HydrophobicContact CD1-CD2 3.56Å; M118-L458 HydrophobicContact CB-CD1 4.05Å; M118-L458 HydrophobicContact CE-CD2 4.22Å; Y122-L458 HydrophobicContact CD2-CD1 3.69Å; Y122-L458 HydrophobicContact CD2-CG 4.48Å; Y122-L458 HydrophobicContact CE2-CD1 4.43Å; F123-L458 HydrophobicContact CE2-CB 4.4Å; F123-L458 HydrophobicContact CE2-CD1 3.84Å; F123-L458 HydrophobicContact CZ-CB 4.21Å; F123-L458 HydrophobicContact CZ-CD1 4.31Å; I454-L458 WeakPolarHBondContact O-CB 3.32Å; I454-L458 PolarHBondContact O-N 3.29Å; P455-L458 PolarHBondContact O-N 3.4Å; A456-L458 VanDerWaalsContact C-N 3.34Å; L458-F460 VanDerWaalsContact C-N 3.32Å; L458-F460 PolarHBondContact O-N 2.93Å; L458-K461 PolarHBondContact O-N 3.1Å; L458-A462 VanDerWaalsContact O-CB 3.25Å; L458-A462 WeakPolarHBondContact O-CB 3.3Å; L458-A462 PolarHBondContact O-N 3.41Å
459V94.6Very high92.6Very high0 Ų034.7 Ų34.70%016%0.156CC..Hα-helixtrans-64.6-39.2178.375.60000111.1F62 E65 P455 A456 K461 A462 R463 I554F62-V459 HydrophobicContact CB-CB 3.86Å; F62-V459 HydrophobicContact CB-CG1 3.82Å; F62-V459 HydrophobicContact CB-CG2 4.34Å; F62-V459 HydrophobicContact CD1-CG1 4.01Å; F62-V459 HydrophobicContact CD1-CG2 4.44Å; F62-V459 HydrophobicContact CD2-CG1 3.85Å; F62-V459 HydrophobicContact CE1-CG1 4.5Å; F62-V459 HydrophobicContact CE2-CG1 4.36Å; F62-V459 HydrophobicContact CG-CB 4.21Å; F62-V459 HydrophobicContact CG-CG1 3.65Å; E65-V459 HydrophobicContact CB-CG2 4.18Å; E65-V459 HydrophobicContact CG-CG2 4.16Å; P455-V459 WeakPolarHBondContact O-CG1 3.32Å; P455-V459 PolarHBondContact O-N 3.37Å; A456-V459 WeakPolarHBondContact O-CG1 3.29Å; V459-K461 PolarHBondContact O-N 2.92Å; V459-A462 PolarHBondContact O-N 2.97Å; V459-R463 HydrophobicContact CG2-CG 4.36Å; V459-R463 WeakPolarHBondContact O-CB 3.01Å; V459-R463 WeakPolarHBondContact O-CG 3.38Å; V459-R463 PolarHBondContact O-N 3.3Å; V459-I554 HydrophobicContact CG1-CD1 4.03Å; V459-I554 HydrophobicContact CG1-CG1 4.28Å
460F94.2Very high92.1Very high76 Ų7635.1 Ų35.133%0.33316%0.158SC..Hα-helixtrans-57.6-49.6176.8178.1-106000111.7A456 L458 R464 F551 I554A456-F460 WeakPolarHBondContact O-CB 3.48Å; A456-F460 PolarHBondContact O-N 3.48Å; L458-F460 VanDerWaalsContact C-N 3.32Å; L458-F460 PolarHBondContact O-N 2.93Å; F460-R464 PolarHBondContact O-N 3.46Å; F460-F551 AromaticContact CD2-CD2 3.98Å; F460-F551 HydrophobicContact CD2-CD2 3.98Å; F460-F551 AromaticContact CD2-CE2 3.71Å; F460-F551 HydrophobicContact CD2-CE2 3.71Å; F460-F551 AromaticContact CE2-CD2 3.87Å; F460-F551 HydrophobicContact CE2-CD2 3.87Å; F460-F551 AromaticContact CE2-CE2 3.44Å; F460-F551 HydrophobicContact CE2-CE2 3.44Å; F460-F551 VanDerWaalsContact CE2-CE2 3.44Å; F460-F551 HydrophobicContact CE2-CZ 4.48Å; F460-F551 HydrophobicContact CZ-CE2 4.29Å; F460-I554 HydrophobicContact CB-CD1 4.11Å; F460-I554 HydrophobicContact CB-CG2 4.42Å; F460-I554 HydrophobicContact CD2-CD1 4.28Å
461K93.1Very high91.5Very high81 Ų8138.4 Ų38.435%0.35218%0.178SC..Hα-helixtrans-71.8-37.9179.6-71.4-153.2-179.7-1680112.9Y122 F123 L457 L458 V459 R463 R464 Y465Y122-K461 HydrophobicContact CG-CB 4.47Å; Y122-K461 WeakPolarHBondContact O-CD 3.39Å; Y122-K461 PolarHBondContact O-NZ 2.87Å; F123-K461 HydrophobicContact CD1-CD 3.5Å; F123-K461 VanDerWaalsContact CD1-CE 3.48Å; F123-K461 HydrophobicContact CD1-CG 4.4Å; F123-K461 HydrophobicContact CE1-CD 3.61Å; F123-K461 HydrophobicContact CE1-CG 4.01Å; L457-K461 WeakPolarHBondContact O-CG 3.27Å; L457-K461 PolarHBondContact O-N 3.45Å; L458-K461 PolarHBondContact O-N 3.1Å; V459-K461 PolarHBondContact O-N 2.92Å; K461-R463 PolarHBondContact O-N 3.3Å; K461-R464 PolarHBondContact O-N 2.95Å; K461-Y465 WeakPolarHBondContact O-CB 3.44Å; K461-Y465 PolarHBondContact O-N 2.89Å
462A92.8Very high90.8Very high0 Ų042 Ų420%020%0.197CC..Hα-helixtrans-59.5-46.9176.400000111.3A66 I69 Y122 L458 V459 R464 Y465 F466A66-A462 HydrophobicContact CB-CB 4.17Å; I69-A462 HydrophobicContact CB-CB 4.41Å; I69-A462 HydrophobicContact CD1-CB 4.11Å; I69-A462 HydrophobicContact CG2-CB 4.16Å; Y122-A462 HydrophobicContact CD2-CB 4.28Å; Y122-A462 HydrophobicContact CE1-CB 4.04Å; Y122-A462 HydrophobicContact CE2-CB 3.76Å; L458-A462 VanDerWaalsContact O-CB 3.25Å; L458-A462 WeakPolarHBondContact O-CB 3.3Å; L458-A462 PolarHBondContact O-N 3.41Å; V459-A462 PolarHBondContact O-N 2.97Å; A462-R464 PolarHBondContact O-N 3.31Å; A462-Y465 PolarHBondContact O-N 3.47Å; A462-F466 WeakPolarHBondContact O-CB 3.04Å; A462-F466 PolarHBondContact O-N 3.13Å
463R92.5Very high89.9Confident28 Ų2843.2 Ų43.211%0.10620%0.202CC..Hα-helixtrans-57.7-49.1175.3-71.2177.8179165.55.9112E65 I69 V459 K461 Y465 F466 T467 L539 Q549E65-R463 VanDerWaalsContact CD-NH2 3.32Å; E65-R463 IonicContact OE1-CZ 3.15Å; E65-R463 IonicContact OE1-NE 2.8Å; E65-R463 PolarHBondContact OE1-NE 2.86Å; E65-R463 IonicContact OE1-NH2 2.7Å; E65-R463 PolarHBondContact OE1-NH2 3.44Å; E65-R463 VanDerWaalsContact OE1-NH2 3.16Å; E65-R463 IonicContact OE2-CZ 2.63Å; E65-R463 IonicContact OE2-NE 3.95Å; E65-R463 IonicContact OE2-NH2 3.78Å; E65-R463 PolarHBondContact OE2-NH2 3.39Å; I69-R463 HydrophobicContact CD1-CG 4.1Å; V459-R463 HydrophobicContact CG2-CG 4.36Å; V459-R463 WeakPolarHBondContact O-CB 3.01Å; V459-R463 WeakPolarHBondContact O-CG 3.38Å; V459-R463 PolarHBondContact O-N 3.3Å; K461-R463 PolarHBondContact O-N 3.3Å; R463-Y465 PolarHBondContact O-N 2.89Å; R463-F466 PolarHBondContact O-N 3.4Å; R463-T467 PolarHBondContact O-N 3.06Å; R463-T467 PolarHBondContact O-OG1 3.2Å; R463-L539 HydrophobicContact CB-CD1 4.07Å; R463-L539 HydrophobicContact CB-CD2 4.5Å; R463-L539 HydrophobicContact CG-CD1 4.16Å; R463-L539 HydrophobicContact CG-CD2 3.69Å; R463-Q549 PolarHBondContact NH1-O 3.02Å
464R90.9Very high89.1Confident183 Ų18344 Ų4469%0.69120%0.204SC*.Hα-helixtrans-63.4-41.8-179.9-175.3176.4172.8153-0.9112.3F460 K461 A462 T467 H468F460-R464 PolarHBondContact O-N 3.46Å; K461-R464 PolarHBondContact O-N 2.95Å; A462-R464 PolarHBondContact O-N 3.31Å; R464-T467 PolarHBondContact O-N 3.44Å; R464-H468 PolarHBondContact O-N 2.85Å
465Y89.9Confident88.2Confident61 Ų6145.3 Ų45.324%0.23922%0.216CC..Hα-helixtrans-63.7-43.7177.1-166.8-80.3000111.2L73 L79 S82 Y122 K461 A462 R463 H468 C469L73-Y465 HydrophobicContact CD1-CD1 3.54Å; L73-Y465 HydrophobicContact CD1-CE1 4.06Å; L73-Y465 HydrophobicContact CD2-CD1 4.13Å; L73-Y465 HydrophobicContact CD2-CE1 4.32Å; L73-Y465 HydrophobicContact CG-CD1 4.47Å; L79-Y465 HydrophobicContact CD2-CE1 4.05Å; S82-Y465 PolarHBondContact OG-OH 3.43Å; Y122-Y465 HydrophobicContact CD1-CG 4.32Å; Y122-Y465 HydrophobicContact CE1-CD1 4.43Å; Y122-Y465 HydrophobicContact CE1-CG 4.11Å; K461-Y465 WeakPolarHBondContact O-CB 3.44Å; K461-Y465 PolarHBondContact O-N 2.89Å; A462-Y465 PolarHBondContact O-N 3.47Å; R463-Y465 PolarHBondContact O-N 2.89Å; Y465-H468 PolarHBondContact O-N 3.32Å; Y465-C469 WeakPolarHBondContact O-CB 3.09Å; Y465-C469 PolarHBondContact O-N 3.34Å
466F88.9Confident87.1Confident2 Ų248.5 Ų48.51%0.00923%0.232CC..Hα-helixtrans-59.7-47.8175.6-179.3-95.4000112.3I69 L73 I102 F107 A462 R463 H468 C469 V470 L538 L539I69-F466 HydrophobicContact CG2-CB 3.82Å; I69-F466 HydrophobicContact CG2-CD2 4.23Å; I69-F466 HydrophobicContact CG2-CG 4.32Å; L73-F466 HydrophobicContact CD2-CD2 4Å; L73-F466 HydrophobicContact CG-CD2 4.31Å; I102-F466 HydrophobicContact CD1-CD2 4.46Å; I102-F466 HydrophobicContact CD1-CE2 3.57Å; I102-F466 HydrophobicContact CD1-CZ 4Å; I102-F466 HydrophobicContact CG2-CE2 4.21Å; I102-F466 HydrophobicContact CG2-CZ 4.38Å; F107-F466 HydrophobicContact CE1-CE2 4.02Å; F107-F466 HydrophobicContact CE1-CZ 4.24Å; F107-F466 HydrophobicContact CE2-CZ 4.43Å; F107-F466 HydrophobicContact CZ-CE1 4.28Å; F107-F466 AromaticContact CZ-CE2 3.63Å; F107-F466 HydrophobicContact CZ-CE2 3.63Å; F107-F466 AromaticContact CZ-CZ 3.51Å; F107-F466 HydrophobicContact CZ-CZ 3.51Å; A462-F466 WeakPolarHBondContact O-CB 3.04Å; A462-F466 PolarHBondContact O-N 3.13Å; R463-F466 PolarHBondContact O-N 3.4Å; F466-H468 VanDerWaalsContact C-N 3.32Å; F466-H468 PolarHBondContact O-N 3.44Å; F466-C469 WeakPolarHBondContact O-CB 3.49Å; F466-C469 PolarHBondContact O-N 3.1Å; F466-V470 HydrophobicContact CD1-CG2 4.24Å; F466-V470 HydrophobicContact CE1-CG2 3.74Å; F466-V470 HydrophobicContact CE2-CG2 4.21Å; F466-V470 HydrophobicContact CZ-CG2 3.7Å; F466-V470 WeakPolarHBondContact O-CG2 3.34Å; F466-V470 PolarHBondContact O-N 2.85Å; F466-L538 HydrophobicContact CE1-CB 4.31Å; F466-L539 HydrophobicContact CD1-CD1 3.93Å; F466-L539 HydrophobicContact CD1-CG 4.34Å
467T87.2Confident85.9Confident48 Ų4851.6 Ų51.629%0.29425%0.249SC..Hα-helixtrans-56.2-46.6175.2-64.10000111.9R463 R464 C469 V470 T471 T535R463-T467 PolarHBondContact O-N 3.06Å; R463-T467 PolarHBondContact O-OG1 3.2Å; R464-T467 PolarHBondContact O-N 3.44Å; T467-C469 VanDerWaalsContact C-N 3.35Å; T467-C469 PolarHBondContact O-N 3.25Å; T467-V470 PolarHBondContact O-N 2.85Å; T467-T471 PolarHBondContact O-N 3.42Å; T467-T471 PolarHBondContact O-OG1 3.22Å; T467-T471 VanDerWaalsContact O-OG1 3.09Å; T467-T535 HydrophobicContact CG2-CG2 3.56Å
468H85.5Confident84.5Confident115 Ų11552.2 Ų52.253%0.53225%0.25SC..Hα-helixtrans-61-43.9178.6-173.7-94.9000112.3R464 Y465 F466 V470 T471 L472R464-H468 PolarHBondContact O-N 2.85Å; Y465-H468 PolarHBondContact O-N 3.32Å; F466-H468 VanDerWaalsContact C-N 3.32Å; F466-H468 PolarHBondContact O-N 3.44Å; H468-V470 PolarHBondContact O-N 3.46Å; H468-T471 PolarHBondContact O-N 3.25Å; H468-L472 VanDerWaalsContact CE1-CD1 3.41Å; H468-L472 WeakPolarHBondContact CE1-CD1 3.47Å; H468-L472 WeakPolarHBondContact O-CG 3.36Å; H468-L472 PolarHBondContact O-N 3.13Å
469C84.9Confident83Confident1 Ų156 Ų561%0.00727%0.273CS..Hα-helixtrans-58.8-47.1176.9-179.80000112.7L73 C78 Y465 F466 T467 L472 K473L73-C469 HydrophobicContact CD2-CB 3.87Å; C78-C469 HydrophobicContact CB-CB 4.2Å; C78-C469 WeakPolarHBondContact CB-SG 3.19Å; C78-C469 WeakPolarHBondContact SG-CB 3.36Å; C78-C469 CovalentContact SG-SG 2Å; C78-C469 PolarHBondContact SG-SG 2.94Å; Y465-C469 WeakPolarHBondContact O-CB 3.09Å; Y465-C469 PolarHBondContact O-N 3.34Å; F466-C469 WeakPolarHBondContact O-CB 3.49Å; F466-C469 PolarHBondContact O-N 3.1Å; T467-C469 VanDerWaalsContact C-N 3.35Å; T467-C469 PolarHBondContact O-N 3.25Å; C469-L472 PolarHBondContact O-N 3.01Å; C469-K473 PolarHBondContact O-N 2.67Å
470V83.7Confident81.3Confident13 Ų1357.6 Ų57.68%0.07928%0.283CS..Hα-helixtrans-62.7-45.6179172.70000110.6I102 F466 T467 H468 L472 K473 E474 L538I102-V470 HydrophobicContact CD1-CG2 3.94Å; F466-V470 HydrophobicContact CD1-CG2 4.24Å; F466-V470 HydrophobicContact CE1-CG2 3.74Å; F466-V470 HydrophobicContact CE2-CG2 4.21Å; F466-V470 HydrophobicContact CZ-CG2 3.7Å; F466-V470 WeakPolarHBondContact O-CG2 3.34Å; F466-V470 PolarHBondContact O-N 2.85Å; T467-V470 PolarHBondContact O-N 2.85Å; H468-V470 PolarHBondContact O-N 3.46Å; V470-L472 VanDerWaalsContact C-N 3.34Å; V470-L472 PolarHBondContact O-N 3.29Å; V470-K473 PolarHBondContact O-N 2.89Å; V470-E474 HydrophobicContact CG1-CG 4.49Å; V470-E474 WeakPolarHBondContact O-CG 3.37Å; V470-E474 PolarHBondContact O-N 3.47Å; V470-L538 HydrophobicContact CG1-CD1 4.23Å
471T82.7Confident79.6Confident69 Ų6957 Ų5742%0.42329%0.285SS..Hα-helixtrans-61.5-40.5177.8-57.70000112.3T467 H468 E474 S475T467-T471 PolarHBondContact O-N 3.42Å; T467-T471 PolarHBondContact O-OG1 3.22Å; T467-T471 VanDerWaalsContact O-OG1 3.09Å; H468-T471 PolarHBondContact O-N 3.25Å; T471-E474 PolarHBondContact O-N 3.5Å; T471-S475 PolarHBondContact O-N 3.44Å; T471-S475 PolarHBondContact O-OG 3.37Å
472L79.9Confident77.8Confident74 Ų7457.6 Ų57.639%0.38729%0.293SS..Hα-helixtrans-61.7-44.7174.9-75178.1000111.9H468 C469 V470 E474 S475 N476H468-L472 VanDerWaalsContact CE1-CD1 3.41Å; H468-L472 WeakPolarHBondContact CE1-CD1 3.47Å; H468-L472 WeakPolarHBondContact O-CG 3.36Å; H468-L472 PolarHBondContact O-N 3.13Å; C469-L472 PolarHBondContact O-N 3.01Å; V470-L472 VanDerWaalsContact C-N 3.34Å; V470-L472 PolarHBondContact O-N 3.29Å; L472-E474 PolarHBondContact O-N 3.08Å; L472-S475 WeakPolarHBondContact CA-OG 3.34Å; L472-S475 PolarHBondContact O-N 2.97Å; L472-S475 PolarHBondContact O-OG 3.5Å; L472-N476 PolarHBondContact O-N 3.47Å
473K76.9Confident75.9Confident27 Ų2762.2 Ų62.212%0.11732%0.317CS..Hα-helixtrans-62.1-41.7176.5-74.1-170173-155.70112.6S76 C469 V470 N476 L477S76-K473 PolarHBondContact O-NZ 3.45Å; C469-K473 PolarHBondContact O-N 2.67Å; V470-K473 PolarHBondContact O-N 2.89Å; K473-N476 PolarHBondContact O-N 3Å; K473-L477 WeakPolarHBondContact O-CB 3.41Å; K473-L477 PolarHBondContact O-N 3.38Å
474E77.5Confident73.9Confident60 Ų6066.3 Ų66.328%0.2834%0.337SS..Hα-helixtrans-62.9-43.6175.3-72.4179.3173.200111.4V470 T471 L472 N476 L477 E478V470-E474 HydrophobicContact CG1-CG 4.49Å; V470-E474 WeakPolarHBondContact O-CG 3.37Å; V470-E474 PolarHBondContact O-N 3.47Å; T471-E474 PolarHBondContact O-N 3.5Å; L472-E474 PolarHBondContact O-N 3.08Å; E474-N476 PolarHBondContact O-N 3.42Å; E474-L477 WeakPolarHBondContact O-CB 3.46Å; E474-L477 PolarHBondContact O-N 2.93Å; E474-E478 PolarHBondContact O-N 2.89Å
475S76.1Confident71.8Confident45 Ų4563.6 Ų63.632%0.31533%0.332SS..Hα-helixtrans-65.5-37.9177.765.40000113.4T471 L472 L477 E478 T479T471-S475 PolarHBondContact O-N 3.44Å; T471-S475 PolarHBondContact O-OG 3.37Å; L472-S475 WeakPolarHBondContact CA-OG 3.34Å; L472-S475 PolarHBondContact O-N 2.97Å; L472-S475 PolarHBondContact O-OG 3.5Å; S475-L477 VanDerWaalsContact C-N 3.31Å; S475-L477 PolarHBondContact O-N 2.72Å; S475-E478 PolarHBondContact O-N 3.39Å; S475-T479 PolarHBondContact O-N 2.89Å; S475-T479 PolarHBondContact O-OG1 3.38Å
476N72.6Confident69.7Low66 Ų6665.9 Ų65.935%0.35335%0.349SS..Hα-helixtrans-67.6-34.7175.6-72-17.8000111.4V98 L472 K473 E474 T480V98-N476 HydrophobicContact CG1-CB 4.44Å; L472-N476 PolarHBondContact O-N 3.47Å; K473-N476 PolarHBondContact O-N 3Å; E474-N476 PolarHBondContact O-N 3.42Å; N476-T480 WeakPolarHBondContact O-CB 3.45Å; N476-T480 PolarHBondContact O-N 3.44Å; N476-T480 PolarHBondContact O-OG1 2.94Å
477L69.7Low67.7Low65 Ų6571.1 Ų71.134%0.3438%0.377SS..Hα-helixtrans-66.6-43.8175.9-177.160.8000111.5T99 K473 E474 S475 T480 T481T99-L477 HydrophobicContact CG2-CD1 3.72Å; K473-L477 WeakPolarHBondContact O-CB 3.41Å; K473-L477 PolarHBondContact O-N 3.38Å; E474-L477 WeakPolarHBondContact O-CB 3.46Å; E474-L477 PolarHBondContact O-N 2.93Å; S475-L477 VanDerWaalsContact C-N 3.31Å; S475-L477 PolarHBondContact O-N 2.72Å; L477-T480 PolarHBondContact O-N 3.11Å; L477-T481 PolarHBondContact O-N 3.5Å; L477-T481 PolarHBondContact O-OG1 2.72Å
478E66.3Low65.5Low82 Ų8274.4 Ų74.438%0.38339%0.392SS..Hα-helixtrans-61.4-49.3175.9-70.6-179.5165.900111E474 S475 T480 T481 D482 R531E474-E478 PolarHBondContact O-N 2.89Å; S475-E478 PolarHBondContact O-N 3.39Å; E478-T480 VanDerWaalsContact C-N 3.27Å; E478-T480 PolarHBondContact O-N 3.06Å; E478-T481 PolarHBondContact O-N 2.58Å; E478-T481 VanDerWaalsContact O-N 3.08Å; E478-D482 PolarHBondContact O-N 3.29Å; E478-R531 IonicContact OE1-CZ 3Å; E478-R531 IonicContact OE1-NH1 2.71Å; E478-R531 PolarHBondContact OE1-NH1 3.42Å; E478-R531 IonicContact OE1-NH2 2.65Å; E478-R531 PolarHBondContact OE1-NH2 3.5Å; E478-R531 IonicContact OE2-NH1 3.16Å
479T62.5Low63.4Low81 Ų8174 Ų7450%0.49740%0.398SS..Hα-helixtrans-59.5-37.6178-45.90000112.4S475 L483S475-T479 PolarHBondContact O-N 2.89Å; S475-T479 PolarHBondContact O-OG1 3.38Å; T479-L483 HydrophobicContact CG2-CD1 4.48Å; T479-L483 VanDerWaalsContact O-CG 3.32Å; T479-L483 WeakPolarHBondContact O-CG 3.14Å; T479-L483 PolarHBondContact O-N 3.42Å; T479-L483 VanDerWaalsContact O-N 3.15Å
480T58.8Low61.1Low32 Ų3277.5 Ų77.520%0.19643%0.427CS..Hα-helixtrans-69.3-39.2177.3-57.70000112M95 N476 L477 E478 L483 Q484M95-T480 HydrophobicContact CE-CG2 3.5Å; M95-T480 HydrophobicContact SD-CG2 4.09Å; N476-T480 WeakPolarHBondContact O-CB 3.45Å; N476-T480 PolarHBondContact O-N 3.44Å; N476-T480 PolarHBondContact O-OG1 2.94Å; L477-T480 PolarHBondContact O-N 3.11Å; E478-T480 VanDerWaalsContact C-N 3.27Å; E478-T480 PolarHBondContact O-N 3.06Å; T480-L483 PolarHBondContact O-N 3.36Å; T480-Q484 PolarHBondContact O-N 2.94Å
481T58.6Low58.7Low63 Ų6381.2 Ų81.239%0.38745%0.453SS..Hα-helixtrans-68.8-39.9179.4-47.30000110.9L477 E478 Q484 Q485L477-T481 PolarHBondContact O-N 3.5Å; L477-T481 PolarHBondContact O-OG1 2.72Å; E478-T481 PolarHBondContact O-N 2.58Å; E478-T481 VanDerWaalsContact O-N 3.08Å; T481-Q484 PolarHBondContact O-N 3.02Å; T481-Q485 PolarHBondContact O-N 2.03Å
482D55Low56.3Low95 Ų9581.9 Ų81.951%0.50847%0.466SS..Hα-helixtrans-65-38.5176-67.6-20.3000112E478 N486E478-D482 PolarHBondContact O-N 3.29Å; D482-N486 PolarHBondContact O-N 3.28Å; D482-N486 PolarHBondContact O-ND2 2.9Å
483L54.6Low53.8Low97 Ų9784.2 Ų84.251%0.50848%0.483SS..Hα-helixtrans-67.8-41174.9-73.1170.2000112.1T479 T480 N486 D487T479-L483 HydrophobicContact CG2-CD1 4.48Å; T479-L483 VanDerWaalsContact O-CG 3.32Å; T479-L483 WeakPolarHBondContact O-CG 3.14Å; T479-L483 PolarHBondContact O-N 3.42Å; T479-L483 VanDerWaalsContact O-N 3.15Å; T480-L483 PolarHBondContact O-N 3.36Å; L483-N486 PolarHBondContact O-N 3.32Å; L483-D487 PolarHBondContact O-N 3.24Å
484Q49.4Very low51.5Low113 Ų11390 Ų9053%0.52852%0.521SS..Hα-helixtrans-66.4-38.3175.8-82.7177.3-68.700112.6T480 T481 N486 D487 D488T480-Q484 PolarHBondContact O-N 2.94Å; T481-Q484 PolarHBondContact O-N 3.02Å; Q484-N486 VanDerWaalsContact C-N 3.31Å; Q484-N486 PolarHBondContact O-N 2.96Å; Q484-D487 PolarHBondContact O-N 2.95Å; Q484-D488 WeakPolarHBondContact O-CB 3.44Å; Q484-D488 PolarHBondContact O-N 2.95Å
485Q47.9Very low49.1Very low127 Ų12790.1 Ų90.159%0.59354%0.538SS*.Hα-helixtrans-65.5-33.5175.1-82-174.3-29.600113.1T481 T489T481-Q485 PolarHBondContact O-N 2.03Å; Q485-T489 PolarHBondContact O-N 3.38Å; Q485-T489 PolarHBondContact O-OG1 2.83Å
486N45.7Very low46.7Very low109 Ų10995.4 Ų95.458%0.58356%0.563SS**Hα-helixtrans-74.6-34.1175.9-75.4-23.7000112.9D482 L483 Q484 T489 A490D482-N486 PolarHBondContact O-N 3.28Å; D482-N486 PolarHBondContact O-ND2 2.9Å; L483-N486 PolarHBondContact O-N 3.32Å; Q484-N486 VanDerWaalsContact C-N 3.31Å; Q484-N486 PolarHBondContact O-N 2.96Å; N486-T489 PolarHBondContact O-N 3.27Å; N486-T489 PolarHBondContact O-OG1 3.26Å; N486-A490 PolarHBondContact O-N 2.91Å
487D46.1Very low44.5Very low112 Ų112101.3 Ų101.360%0.59959%0.588SS**Hα-helixtrans-73.9-32.7175.3-81.6-18.5000112.4L483 Q484 T489 A490 S491L483-D487 PolarHBondContact O-N 3.24Å; Q484-D487 PolarHBondContact O-N 2.95Å; D487-T489 VanDerWaalsContact C-N 3.29Å; D487-T489 PolarHBondContact O-N 3.48Å; D487-A490 PolarHBondContact O-N 2.91Å; D487-S491 PolarHBondContact O-N 3.33Å; D487-S491 VanDerWaalsContact O-N 3.12Å; D487-S491 PolarHBondContact O-OG 3.32Å; D487-S491 VanDerWaalsContact O-OG 3.07Å
488D42.1Very low42.3Very low117 Ų117107.4 Ų107.463%0.62662%0.617SS**Hα-helixtrans-70.9-24174.9-73.4-18.4000112.5Q484Q484-D488 WeakPolarHBondContact O-CB 3.44Å; Q484-D488 PolarHBondContact O-N 2.95Å
489T40.3Very low40.2Very low107 Ų107109.6 Ų109.666%0.65664%0.637SS**Hα-helixtrans-83.8-22.2170.422.50000113.4Q485 N486 D487Q485-T489 PolarHBondContact O-N 3.38Å; Q485-T489 PolarHBondContact O-OG1 2.83Å; N486-T489 PolarHBondContact O-N 3.27Å; N486-T489 PolarHBondContact O-OG1 3.26Å; D487-T489 VanDerWaalsContact C-N 3.29Å; D487-T489 PolarHBondContact O-N 3.48Å
490A37.1Very low38.3Very low74 Ų74114.4 Ų114.461%0.61265%0.654SS**Hα-helixtrans-86.4-16.217700000113.9N486 D487N486-A490 PolarHBondContact O-N 2.91Å; D487-A490 PolarHBondContact O-N 2.91Å
491S32.8Very low36.9Very low90 Ų90117.4 Ų117.463%0.62967%0.673SS**SBendtrans-95.81-176.758.10000115.4D487D487-S491 PolarHBondContact O-N 3.33Å; D487-S491 VanDerWaalsContact O-N 3.12Å; D487-S491 PolarHBondContact O-OG 3.32Å; D487-S491 VanDerWaalsContact O-OG 3.07Å
492A32.1Very low35.1Very low83 Ų83120.7 Ų120.769%0.68669%0.693SS**SBendtrans-92.217179.500000115.1
493T28.4Very low34Very low123 Ų123121.8 Ų121.876%0.75571%0.706SS**SBendtrans-145.550.1-176.5-23.60000114.7
494V28.2Very low32.5Very low150 Ų150122.6 Ų122.691%0.90972%0.719SS**  trans-146.190.9159.6-170.40000108.7
495G26.7Very low31.2Very low62 Ų62124.2 Ų124.264%0.63973%0.732SS**  trans-179.898.1175.800000111.5
496D26Very low30.2Very low156 Ų156125.9 Ų125.983%0.83475%0.745SS**  trans65.2108.3153.2-53.1-28000118.1
497E25.8Very low29Very low190 Ų190124 Ų12489%0.88875%0.751SS**  177.6127.499.3-93.8179.8165.900111.6T499E497-T499 PolarHBondContact O-N 3.35Å
498M25Very low27.8Very low192 Ų192126.7 Ų126.795%0.94676%0.762SS**  trans-68.2115.6168.5-118.2173.3-179.600109
499T21.6Very low26.8Very low129 Ų129128.6 Ų128.679%0.79177%0.767SS**  trans-46.1128.8169.143.10000115.3E497E497-T499 PolarHBondContact O-N 3.35Å
500Q21.2Very low26.1Very low182 Ų182130.6 Ų130.685%0.8577%0.774SS**  trans158.6158.8130.7-92.5-159.6-8.900111.6
501P29.7Very low25.3Very low94 Ų94135 Ų13561%0.6178%0.782SS**  cis-139.4167.6-23.536.5-17.5000115.7
502T22.2Very low24.8Very low132 Ų132137.3 Ų137.381%0.8179%0.787SS**  trans76.2156.4142.638.80000122.3
503P30.4Very low24.5Very low119 Ų119141.4 Ų141.477%0.77380%0.796SS**  trans-117.4162.1-139.742.4-31.8000114.6
504S24.2Very low24.1Very low113 Ų113141.2 Ų141.279%0.7979%0.789SS**  trans-164.2124.1151.455.10000112.2
505N22.2Very low23.8Very low147 Ų147143.7 Ų143.779%0.78678%0.783SS**  trans16.3123.1139.9-75.4-11.5000118.1
506N26Very low23.5Very low162 Ų162146.1 Ų146.187%0.86679%0.79SS**  -173.2135103.3-90.1-22.5000110.1
507G20.8Very low23.3Very low69 Ų69143 Ų14371%0.71178%0.781SS**  trans-80.9162.3175.300000112.8
508M20.5Very low23.2Very low169 Ų169140.1 Ų140.183%0.83378%0.777SS**  trans77.8129.6149.4-106.1176.5-86.900120
509E22.1Very low23.1Very low157 Ų157137.9 Ų137.973%0.73477%0.769SS**  trans84.393.7147.5-65.2172.6-176.500118
510N24.1Very low23.2Very low149 Ų149138.9 Ų138.980%0.79776%0.764SS**  -172.7110.1105.5-89.9-24.3000112.8
511E22.2Very low23.4Very low166 Ų166137.8 Ų137.878%0.77676%0.762SS**  trans32.5105.5136.8-62.6-173.5146.100121.1
512N21.4Very low23.1Very low140 Ų140139.6 Ų139.675%0.74977%0.772SS**  45100.2112.9-62.5-24.6000119.8
513I25.6Very low23.2Very low169 Ų169138 Ų13887%0.86776%0.762SS**  trans-131.881.8146-56.3-179.5000109.4
514I20.8Very low23.3Very low118 Ų118137.8 Ų137.861%0.60576%0.76SS**  11.9131.9124.3-60.8170.7000115.4
515Y22.3Very low23.4Very low202 Ų202139.5 Ų139.579%0.79276%0.756SS**  cis-139.513326.3-94.6-75.4000110.7
516S18.9Very low23.7Very low113 Ų113137 Ų13779%0.7975%0.75SS**  trans-95.1125.9145.648.10000107.3
517S23.3Very low23.8Very low92 Ų92134.2 Ų134.264%0.64374%0.738SS**  trans-131.698.3164.8-54.40000107.2D519S517-D519 PolarHBondContact O-N 3.33Å
518T21.7Very low24.3Very low129 Ų129134.3 Ų134.379%0.79173%0.728SS**  trans-62.3109.6166.3-35.20000108.2
519D24.4Very low24.7Very low145 Ų145132.6 Ų132.678%0.77572%0.721SS**  trans-124.398.4164.2-91.3-32.8000110.4S517S517-D519 PolarHBondContact O-N 3.33Å
520H23.6Very low25.1Very low149 Ų149132 Ų13269%0.6972%0.721SS**  trans32.9106.2139.7-75-73000119.1T522H520-T522 PolarHBondContact O-N 2.94Å
521I24.2Very low25.3Very low159 Ų159130.8 Ų130.882%0.81571%0.706SS**  1.191129.3-54.5169.6000112.3
522T23.6Very low25.6Very low132 Ų132131.5 Ų131.581%0.8171%0.706SS**  trans-107.9108.716136.20000107.9H520H520-T522 PolarHBondContact O-N 2.94Å
523T24.9Very low25.9Very low98 Ų98129.7 Ų129.760%0.60170%0.704SS**  trans-50.1143.1175.646.60000112.6H525T523-H525 VanDerWaalsContact C-N 3.26Å; T523-H525 PolarHBondContact O-N 2.9Å
524P32.5Very low26.4Very low115 Ų115124.1 Ų124.175%0.74768%0.68SS**THydrogen-bonded Turntrans-83.741.4-16135.8-37.5000114.6
525H26.7Very low27.4Very low149 Ų149120.5 Ų120.569%0.6966%0.663SS**THydrogen-bonded Turntrans-84.9-18.1174.5-87.2-70.3000114T523 S528T523-H525 VanDerWaalsContact C-N 3.26Å; T523-H525 PolarHBondContact O-N 2.9Å; H525-S528 PolarHBondContact O-OG 2.95Å
526S28Very low28.4Very low96 Ų96118 Ų11867%0.67166%0.658SS**SBendtrans-82.2-19-174.7-48.70000114.7
527V29Very low29.8Very low102 Ų102118.1 Ų118.162%0.61865%0.646SS**SBendtrans-83.6-16.2178.9-176.80000112.1I529V527-I529 VanDerWaalsContact C-N 3.3Å; V527-I529 PolarHBondContact O-N 3.26Å
528S30.9Very low31.2Very low71 Ų71115.6 Ų115.650%0.49763%0.625SS.*Hα-helixtrans-70-21.6-178.670.60000114.5H525H525-S528 PolarHBondContact O-OG 2.95Å
529I28.5Very low32.8Very low134 Ų134110.3 Ų110.369%0.68759%0.592SS**Hα-helixtrans-87.8-33.6-174.3-60.2177.5000111.8V527V527-I529 VanDerWaalsContact C-N 3.3Å; V527-I529 PolarHBondContact O-N 3.26Å
530I29.8Very low34.3Very low144 Ų144106 Ų10674%0.73857%0.573SS**Hα-helixtrans-74.9-29.3-177.3-61.5177.3000111.7
531R28.1Very low35.9Very low124 Ų124101.8 Ų101.847%0.46856%0.555SS.*Hα-helixtrans-80.4-22.6-175.1-161.4-178.7-93.8163.2-14.6114.9E478 C533 S534E478-R531 IonicContact OE1-CZ 3Å; E478-R531 IonicContact OE1-NH1 2.71Å; E478-R531 PolarHBondContact OE1-NH1 3.42Å; E478-R531 IonicContact OE1-NH2 2.65Å; E478-R531 PolarHBondContact OE1-NH2 3.5Å; E478-R531 IonicContact OE2-NH1 3.16Å; R531-C533 PolarHBondContact O-N 3.08Å; R531-S534 PolarHBondContact O-N 2.99Å
532K28.7Very low38Very low180 Ų18094.5 Ų94.578%0.78352%0.518SS*.THydrogen-bonded Turntrans-61.6-13.7175.4-93.3-178.5177.5175.70113.9
533C28.2Very low40.4Very low103 Ų10392.2 Ų92.270%0.69650%0.5SS*.THydrogen-bonded Turntrans-85.6-21.4175.3-1280000114R531 T535R531-C533 PolarHBondContact O-N 3.08Å; C533-T535 PolarHBondContact O-N 2.95Å
534S35.7Very low43.3Very low52 Ų5288.2 Ų88.236%0.36447%0.474SS..Hα-helixtrans-71.3-33-174.3-169.60000113.3R531 H536 H537 L538R531-S534 PolarHBondContact O-N 2.99Å; S534-H536 VanDerWaalsContact C-N 3.35Å; S534-H536 PolarHBondContact O-N 2.87Å; S534-H537 WeakPolarHBondContact O-CB 3.44Å; S534-H537 PolarHBondContact O-N 2.65Å; S534-H537 VanDerWaalsContact O-N 3.1Å; S534-L538 PolarHBondContact O-N 3.17Å
535T42.4Very low45.7Very low42 Ų4283.8 Ų83.826%0.25845%0.447SS..Hα-helixtrans-71-29.6-172.9-23.60000113.2T467 C533T467-T535 HydrophobicContact CG2-CG2 3.56Å; C533-T535 PolarHBondContact O-N 2.95Å
536H42.5Very low48.7Very low149 Ų14976.7 Ų76.769%0.6941%0.414SS*.Hα-helixtrans-73.5-31.6171.7-103.7-82.7000112.1S534 L539 S540S534-H536 VanDerWaalsContact C-N 3.35Å; S534-H536 PolarHBondContact O-N 2.87Å; H536-L539 PolarHBondContact O-N 3.07Å; H536-S540 PolarHBondContact O-N 3.21Å; H536-S540 VanDerWaalsContact O-N 3.09Å; H536-S540 PolarHBondContact O-OG 3.29Å
537H49.9Very low51.5Low116 Ų11675.9 Ų75.954%0.53741%0.406SS..Hα-helixtrans-66.4-48.3-176.4-168.4-103.4000111.5S534 L539 S540 I541S534-H537 WeakPolarHBondContact O-CB 3.44Å; S534-H537 PolarHBondContact O-N 2.65Å; S534-H537 VanDerWaalsContact O-N 3.1Å; H537-L539 VanDerWaalsContact C-N 3.29Å; H537-L539 PolarHBondContact O-N 2.65Å; H537-S540 WeakPolarHBondContact CA-OG 3.46Å; H537-S540 CarbonylContact O-C 3.55Å; H537-S540 WeakPolarHBondContact O-CA 3.49Å; H537-S540 PolarHBondContact O-N 2.93Å; H537-S540 VanDerWaalsContact O-N 3.09Å; H537-S540 PolarHBondContact O-OG 2.94Å; H537-I541 WeakPolarHBondContact CE1-CD1 3.29Å; H537-I541 WeakPolarHBondContact ND1-CD1 3.38Å; H537-I541 WeakPolarHBondContact O-CD1 3.28Å; H537-I541 WeakPolarHBondContact O-CG1 3.1Å; H537-I541 PolarHBondContact O-N 2.86Å
538L52Low54.5Low38 Ų3872.3 Ų72.320%0.19938%0.383CS..Hα-helixtrans-58.8-37.6178.9-89.5149.1000113.6F466 V470 S534 I541 S542F466-L538 HydrophobicContact CE1-CB 4.31Å; V470-L538 HydrophobicContact CG1-CD1 4.23Å; S534-L538 PolarHBondContact O-N 3.17Å; L538-I541 PolarHBondContact O-N 2.95Å; L538-S542 PolarHBondContact O-N 3.03Å
539L56.1Low57Low18 Ų1872.6 Ų72.69%0.09438%0.376CS..Hα-helixtrans-71.7-36.5178.2-132.7143.1000111.4E65 R463 F466 H536 H537 I541 S542E65-L539 WeakPolarHBondContact OE1-CD2 3.39Å; R463-L539 HydrophobicContact CB-CD1 4.07Å; R463-L539 HydrophobicContact CB-CD2 4.5Å; R463-L539 HydrophobicContact CG-CD1 4.16Å; R463-L539 HydrophobicContact CG-CD2 3.69Å; F466-L539 HydrophobicContact CD1-CD1 3.93Å; F466-L539 HydrophobicContact CD1-CG 4.34Å; H536-L539 PolarHBondContact O-N 3.07Å; H537-L539 VanDerWaalsContact C-N 3.29Å; H537-L539 PolarHBondContact O-N 2.65Å; L539-I541 VanDerWaalsContact C-N 3.27Å; L539-I541 PolarHBondContact O-N 3.04Å; L539-S542 PolarHBondContact O-N 3.37Å; L539-S542 PolarHBondContact O-OG 3Å
540S55.4Low59.9Low55 Ų5572.4 Ų72.439%0.38537%0.372SS..Hα-helixtrans-68.1-22.6171.475.80000114H536 H537H536-S540 PolarHBondContact O-N 3.21Å; H536-S540 VanDerWaalsContact O-N 3.09Å; H536-S540 PolarHBondContact O-OG 3.29Å; H537-S540 WeakPolarHBondContact CA-OG 3.46Å; H537-S540 CarbonylContact O-C 3.55Å; H537-S540 WeakPolarHBondContact O-CA 3.49Å; H537-S540 PolarHBondContact O-N 2.93Å; H537-S540 VanDerWaalsContact O-N 3.09Å; H537-S540 PolarHBondContact O-OG 2.94Å
541I57.1Low62.8Low60 Ų6070.9 Ų70.931%0.30836%0.36SS..Hα-helixtrans-80.9-15.4176.5-64.6158.6000112.4P104 H537 L538 L539 M543P104-I541 HydrophobicContact CB-CG2 3.75Å; P104-I541 HydrophobicContact CG-CG2 3.54Å; H537-I541 WeakPolarHBondContact CE1-CD1 3.29Å; H537-I541 WeakPolarHBondContact ND1-CD1 3.38Å; H537-I541 WeakPolarHBondContact O-CD1 3.28Å; H537-I541 WeakPolarHBondContact O-CG1 3.1Å; H537-I541 PolarHBondContact O-N 2.86Å; L538-I541 PolarHBondContact O-N 2.95Å; L539-I541 VanDerWaalsContact C-N 3.27Å; L539-I541 PolarHBondContact O-N 3.04Å; I541-M543 PolarHBondContact O-N 3.27Å; I541-M543 VanDerWaalsContact O-N 3.1Å
542S68.6Low65.9Low6 Ų670 Ų704%0.04236%0.36CS..  trans-57.1124.3-177.8660000110.5L538 L539 H544 A545L538-S542 PolarHBondContact O-N 3.03Å; L539-S542 PolarHBondContact O-N 3.37Å; L539-S542 PolarHBondContact O-OG 3Å; S542-H544 PolarHBondContact O-N 3.17Å; S542-A545 WeakPolarHBondContact O-CB 3.39Å; S542-A545 PolarHBondContact O-N 3.15Å; S542-A545 WeakPolarHBondContact OG-CA 3.21Å; S542-A545 WeakPolarHBondContact OG-CB 3.45Å; S542-A545 PolarHBondContact OG-N 3.2Å
543M73.5Confident69Low85 Ų8565 Ų6542%0.41934%0.337SS..THydrogen-bonded Turntrans-54.7-21.5-174.1-177.1171.475.500113.3E108 I541E108-M543 HydrophobicContact CB-CE 3.76Å; E108-M543 HydrophobicContact CG-CE 3.83Å; I541-M543 PolarHBondContact O-N 3.27Å; I541-M543 VanDerWaalsContact O-N 3.1Å
544H84.8Confident72.1Confident14 Ų1460.3 Ų60.37%0.06530%0.304CS..THydrogen-bonded Turntrans-123.526.9-178.3-62.1-44.5000112.6I64 F107 S542 S546I64-H544 HydrophobicContact CG2-CB 3.92Å; F107-H544 PolarHBondContact O-CD2 3.45Å; S542-H544 PolarHBondContact O-N 3.17Å; H544-S546 PolarHBondContact O-N 3.07Å
545A84.5Confident74.9Confident21 Ų2160.3 Ų60.317%0.17430%0.302CS..  trans-55.9137.2172.200000110.3S542S542-A545 WeakPolarHBondContact O-CB 3.39Å; S542-A545 PolarHBondContact O-N 3.15Å; S542-A545 WeakPolarHBondContact OG-CA 3.21Å; S542-A545 WeakPolarHBondContact OG-CB 3.45Å; S542-A545 PolarHBondContact OG-N 3.2Å
546S89.2Confident77.4Confident1 Ų161.4 Ų61.41%0.00731%0.306CS..  trans-61.6139166.4178.60000109T61 E65 H544 F548 Q549T61-S546 WeakPolarHBondContact OG1-CB 3.4Å; T61-S546 PolarHBondContact OG1-OG 3.23Å; E65-S546 WeakPolarHBondContact OE2-CA 3.42Å; E65-S546 WeakPolarHBondContact OE2-CB 3.31Å; E65-S546 PolarHBondContact OE2-N 3.39Å; H544-S546 PolarHBondContact O-N 3.07Å; S546-F548 PolarHBondContact O-N 2.73Å; S546-F548 PolarHBondContact OG-N 3.37Å; S546-Q549 WeakPolarHBondContact O-CG 3.43Å
547P87.2Confident79.9Confident78 Ų7854.3 Ų54.351%0.50627%0.273SS..SBendtrans-64.3-17168.326.9-32.7000112Q549P547-Q549 PolarHBondContact O-N 3.07Å
548F90.6Very high81.9Confident27 Ų2750.8 Ų50.812%0.11826%0.258CS..  trans-94.962.3-179.4-53.2-75.2000111F54 F57 L58 F62 S546 W553F54-F548 HydrophobicContact CE2-CE1 4.18Å; F54-F548 AromaticContact CE2-CZ 3.77Å; F54-F548 HydrophobicContact CE2-CZ 3.77Å; F54-F548 AromaticContact CZ-CE1 3.8Å; F54-F548 HydrophobicContact CZ-CE1 3.8Å; F54-F548 AromaticContact CZ-CZ 3.81Å; F54-F548 HydrophobicContact CZ-CZ 3.81Å; F57-F548 HydrophobicContact CD1-CE2 4.34Å; F57-F548 HydrophobicContact CE1-CE2 4.22Å; L58-F548 HydrophobicContact CB-CD2 4.08Å; L58-F548 HydrophobicContact CB-CE2 3.98Å; L58-F548 HydrophobicContact CB-CZ 4.49Å; L58-F548 HydrophobicContact CD1-CB 4.43Å; L58-F548 HydrophobicContact CD1-CD1 3.97Å; L58-F548 HydrophobicContact CD1-CD2 4.18Å; L58-F548 HydrophobicContact CD1-CE1 4.24Å; L58-F548 HydrophobicContact CD1-CE2 4.43Å; L58-F548 HydrophobicContact CD1-CG 3.94Å; L58-F548 HydrophobicContact CD1-CZ 4.46Å; L58-F548 HydrophobicContact CG-CB 4.21Å; L58-F548 HydrophobicContact CG-CD1 4.3Å; L58-F548 HydrophobicContact CG-CD2 3.61Å; L58-F548 HydrophobicContact CG-CE2 3.98Å; L58-F548 HydrophobicContact CG-CG 3.78Å; L58-F548 HydrophobicContact CG-CZ 4.48Å; F62-F548 HydrophobicContact CE1-CB 3.9Å; F62-F548 WeakPolarHBondContact CE1-O 3.47Å; F62-F548 HydrophobicContact CZ-CB 4.3Å; S546-F548 PolarHBondContact O-N 2.73Å; S546-F548 PolarHBondContact OG-N 3.37Å; F548-W553 HydrophobicContact CB-CB 4.19Å; F548-W553 HydrophobicContact CB-CD2 4.39Å; F548-W553 HydrophobicContact CB-CG 3.83Å; F548-W553 AromaticContact CD1-CD2 3.96Å; F548-W553 HydrophobicContact CD1-CD2 3.96Å; F548-W553 AromaticContact CD1-CE2 3.66Å; F548-W553 HydrophobicContact CD1-CG 4.27Å; F548-W553 AromaticContact CD1-CZ2 3.98Å; F548-W553 HydrophobicContact CD1-CZ2 3.98Å; F548-W553 AromaticContact CD1-NE1 3.81Å; F548-W553 HydrophobicContact CE1-CZ2 4.3Å; F548-W553 HydrophobicContact CG-CG 4.47Å
549Q85.1Confident83.9Confident77 Ų7754.1 Ų54.136%0.3627%0.274SS..  trans-75.4-28.5-172.7-60.4-175.3-9.600113.7R463 S546 P547R463-Q549 PolarHBondContact NH1-O 3.02Å; S546-Q549 WeakPolarHBondContact O-CG 3.43Å; P547-Q549 PolarHBondContact O-N 3.07Å
550H88.6Confident85.6Confident131 Ų13157 Ų5761%0.60628%0.284SS*.SBendtrans-67.1140-174-163.6-96.6000112.2F552 W553H550-F552 HydrophobicContact CB-CB 4.49Å; H550-F552 WeakPolarHBondContact ND1-CB 3.17Å; H550-F552 PolarHBondContact ND1-N 2.84Å; H550-F552 VanDerWaalsContact ND1-N 3.14Å; H550-F552 PolarHBondContact O-N 3.17Å; H550-F552 VanDerWaalsContact O-N 3.09Å; H550-W553 PolarHBondContact O-N 2.91Å; H550-W553 VanDerWaalsContact O-N 3.08Å
551F90.6Very high87.3Confident112 Ų11254.4 Ų54.449%0.49127%0.266SS..Hα-helixtrans-56.5-28.6179.5-177.6-108000113.1F460 W553 I554 T555F460-F551 AromaticContact CD2-CD2 3.98Å; F460-F551 HydrophobicContact CD2-CD2 3.98Å; F460-F551 AromaticContact CD2-CE2 3.71Å; F460-F551 HydrophobicContact CD2-CE2 3.71Å; F460-F551 AromaticContact CE2-CD2 3.87Å; F460-F551 HydrophobicContact CE2-CD2 3.87Å; F460-F551 AromaticContact CE2-CE2 3.44Å; F460-F551 HydrophobicContact CE2-CE2 3.44Å; F460-F551 VanDerWaalsContact CE2-CE2 3.44Å; F460-F551 HydrophobicContact CE2-CZ 4.48Å; F460-F551 HydrophobicContact CZ-CE2 4.29Å; F551-W553 PolarHBondContact O-N 3.1Å; F551-I554 HydrophobicContact CD2-CD1 4.4Å; F551-I554 WeakPolarHBondContact O-CB 3.31Å; F551-I554 PolarHBondContact O-N 3.03Å; F551-I554 VanDerWaalsContact O-N 3.09Å; F551-T555 VanDerWaalsContact CE1-OG1 3.27Å; F551-T555 WeakPolarHBondContact CE1-OG1 3.47Å; F551-T555 PolarHBondContact O-N 3.25Å; F551-T555 VanDerWaalsContact O-N 3.13Å; F551-T555 PolarHBondContact O-OG1 3.4Å
552F93.3Very high88.9Confident106 Ų10655.8 Ų55.847%0.46527%0.273SS..Hα-helixtrans-45.7-45.2171.7172.3-103.3000113.8H550 I554 T555 I556H550-F552 HydrophobicContact CB-CB 4.49Å; H550-F552 WeakPolarHBondContact ND1-CB 3.17Å; H550-F552 PolarHBondContact ND1-N 2.84Å; H550-F552 VanDerWaalsContact ND1-N 3.14Å; H550-F552 PolarHBondContact O-N 3.17Å; H550-F552 VanDerWaalsContact O-N 3.09Å; F552-I554 VanDerWaalsContact C-N 3.35Å; F552-I554 PolarHBondContact O-N 3.48Å; F552-T555 PolarHBondContact O-N 3.32Å; F552-I556 HydrophobicContact CD1-CD1 4.13Å; F552-I556 HydrophobicContact CD2-CD1 4.04Å; F552-I556 HydrophobicContact CD2-CG1 4.47Å; F552-I556 HydrophobicContact CE1-CD1 3.49Å; F552-I556 VanDerWaalsContact CE1-CD1 3.49Å; F552-I556 HydrophobicContact CE2-CD1 3.38Å; F552-I556 HydrophobicContact CE2-CG1 4.19Å; F552-I556 HydrophobicContact CG-CD1 4.38Å; F552-I556 HydrophobicContact CZ-CD1 3.09Å; F552-I556 HydrophobicContact CZ-CG1 4.28Å; F552-I556 PolarHBondContact O-N 3.39Å
553W94.1Very high90Very high75 Ų7561.2 Ų61.228%0.28430%0.297SS..Hα-helixtrans-67.4-37.1-177.3-67.4113.1000112.3F54 L58 F62 F548 H550 F551 I557F54-W553 HydrophobicContact CE1-CZ3 4.4Å; L58-W553 HydrophobicContact CD1-CB 4.46Å; L58-W553 HydrophobicContact CD1-CD2 4Å; L58-W553 HydrophobicContact CD1-CE3 3.48Å; L58-W553 VanDerWaalsContact CD1-CE3 3.48Å; L58-W553 HydrophobicContact CD1-CG 4.44Å; L58-W553 HydrophobicContact CD1-CZ3 4.01Å; F62-W553 HydrophobicContact CZ-CB 4.06Å; F548-W553 HydrophobicContact CB-CB 4.19Å; F548-W553 HydrophobicContact CB-CD2 4.39Å; F548-W553 HydrophobicContact CB-CG 3.83Å; F548-W553 AromaticContact CD1-CD2 3.96Å; F548-W553 HydrophobicContact CD1-CD2 3.96Å; F548-W553 AromaticContact CD1-CE2 3.66Å; F548-W553 HydrophobicContact CD1-CG 4.27Å; F548-W553 AromaticContact CD1-CZ2 3.98Å; F548-W553 HydrophobicContact CD1-CZ2 3.98Å; F548-W553 AromaticContact CD1-NE1 3.81Å; F548-W553 HydrophobicContact CE1-CZ2 4.3Å; F548-W553 HydrophobicContact CG-CG 4.47Å; H550-W553 PolarHBondContact O-N 2.91Å; H550-W553 VanDerWaalsContact O-N 3.08Å; F551-W553 PolarHBondContact O-N 3.1Å; W553-I557 WeakPolarHBondContact O-CB 3.43Å; W553-I557 WeakPolarHBondContact O-CG1 3.44Å; W553-I557 PolarHBondContact O-N 2.92Å; W553-I557 VanDerWaalsContact O-N 3.1Å
554I93.3Very high90.6Very high4 Ų457.7 Ų57.72%0.02128%0.28CS..Hα-helixtrans-63.9-47.6176.5-62.3173.7000109.3F62 A456 V459 F460 F551 F552 I557 I558F62-I554 HydrophobicContact CE2-CG1 4.16Å; F62-I554 HydrophobicContact CZ-CG1 4.13Å; A456-I554 HydrophobicContact CB-CG2 4.14Å; V459-I554 HydrophobicContact CG1-CD1 4.03Å; V459-I554 HydrophobicContact CG1-CG1 4.28Å; F460-I554 HydrophobicContact CB-CD1 4.11Å; F460-I554 HydrophobicContact CB-CG2 4.42Å; F460-I554 HydrophobicContact CD2-CD1 4.28Å; F551-I554 HydrophobicContact CD2-CD1 4.4Å; F551-I554 WeakPolarHBondContact O-CB 3.31Å; F551-I554 PolarHBondContact O-N 3.03Å; F551-I554 VanDerWaalsContact O-N 3.09Å; F552-I554 VanDerWaalsContact C-N 3.35Å; F552-I554 PolarHBondContact O-N 3.48Å; I554-I557 PolarHBondContact O-N 3.15Å; I554-I558 HydrophobicContact CG2-CD1 4.04Å; I554-I558 WeakPolarHBondContact O-CG1 3.43Å; I554-I558 PolarHBondContact O-N 2.86Å; I554-I558 VanDerWaalsContact O-N 3.16Å
555T94Very high90.8Very high52 Ų5258.4 Ų58.432%0.31929%0.285SS..Hα-helixtrans-63.1-46.7-179.9-54.70000112.2F551 F552 I557 I558 I559F551-T555 VanDerWaalsContact CE1-OG1 3.27Å; F551-T555 WeakPolarHBondContact CE1-OG1 3.47Å; F551-T555 PolarHBondContact O-N 3.25Å; F551-T555 VanDerWaalsContact O-N 3.13Å; F551-T555 PolarHBondContact O-OG1 3.4Å; F552-T555 PolarHBondContact O-N 3.32Å; T555-I557 PolarHBondContact O-N 2.85Å; T555-I558 PolarHBondContact O-N 3.19Å; T555-I559 HydrophobicContact CG2-CD1 3.78Å; T555-I559 HydrophobicContact CG2-CG1 4.46Å; T555-I559 WeakPolarHBondContact O-CG1 3.18Å; T555-I559 PolarHBondContact O-N 3.21Å
556I94.7Very high91Very high65 Ų6562 Ų6233%0.33330%0.3SS..Hα-helixtrans-61-44.1178.8-82.1-174.9000111.7F552 I558 I559 W560F552-I556 HydrophobicContact CD1-CD1 4.13Å; F552-I556 HydrophobicContact CD2-CD1 4.04Å; F552-I556 HydrophobicContact CD2-CG1 4.47Å; F552-I556 HydrophobicContact CE1-CD1 3.49Å; F552-I556 VanDerWaalsContact CE1-CD1 3.49Å; F552-I556 HydrophobicContact CE2-CD1 3.38Å; F552-I556 HydrophobicContact CE2-CG1 4.19Å; F552-I556 HydrophobicContact CG-CD1 4.38Å; F552-I556 HydrophobicContact CZ-CD1 3.09Å; F552-I556 HydrophobicContact CZ-CG1 4.28Å; F552-I556 PolarHBondContact O-N 3.39Å; I556-I558 VanDerWaalsContact C-N 3.32Å; I556-I558 PolarHBondContact O-N 3.18Å; I556-I559 PolarHBondContact O-N 3.23Å; I556-W560 WeakPolarHBondContact O-CB 3.18Å; I556-W560 PolarHBondContact O-N 3.18Å
557I94.7Very high90.9Very high0 Ų065 Ų650%032%0.316CS..Hα-helixtrans-62.6-41.2-179.6-73.1-74000111.1L55 L58 T59 Y452 A456 W553 I554 T555 A561L55-I557 HydrophobicContact CB-CD1 4.13Å; L55-I557 HydrophobicContact CD2-CD1 3.71Å; L55-I557 HydrophobicContact CG-CD1 4.4Å; L58-I557 HydrophobicContact CD2-CD1 3.9Å; L58-I557 HydrophobicContact CD2-CG1 3.71Å; T59-I557 HydrophobicContact CG2-CD1 3.89Å; T59-I557 HydrophobicContact CG2-CG1 4.19Å; T59-I557 HydrophobicContact CG2-CG2 3.73Å; Y452-I557 HydrophobicContact CD1-CG2 4.32Å; Y452-I557 HydrophobicContact CG-CG2 4.45Å; A456-I557 HydrophobicContact CB-CG2 4.09Å; W553-I557 WeakPolarHBondContact O-CB 3.43Å; W553-I557 WeakPolarHBondContact O-CG1 3.44Å; W553-I557 PolarHBondContact O-N 2.92Å; W553-I557 VanDerWaalsContact O-N 3.1Å; I554-I557 PolarHBondContact O-N 3.15Å; T555-I557 PolarHBondContact O-N 2.85Å; I557-A561 VanDerWaalsContact O-CB 3.27Å; I557-A561 WeakPolarHBondContact O-CB 3.42Å; I557-A561 PolarHBondContact O-N 3.26Å
558I93.6Very high90.8Very high42 Ų4261.3 Ų61.322%0.21529%0.292CS..Hα-helixtrans-66.9-47.1178.6-67.4170.1000110.5A456 L457 I554 T555 I556 W560 A561 L562A456-I558 HydrophobicContact CB-CD1 4.14Å; A456-I558 HydrophobicContact CB-CG1 3.86Å; L457-I558 HydrophobicContact CD2-CD1 4Å; I554-I558 HydrophobicContact CG2-CD1 4.04Å; I554-I558 WeakPolarHBondContact O-CG1 3.43Å; I554-I558 PolarHBondContact O-N 2.86Å; I554-I558 VanDerWaalsContact O-N 3.16Å; T555-I558 PolarHBondContact O-N 3.19Å; I556-I558 VanDerWaalsContact C-N 3.32Å; I556-I558 PolarHBondContact O-N 3.18Å; I558-W560 VanDerWaalsContact C-N 3.34Å; I558-W560 PolarHBondContact O-N 3.44Å; I558-A561 PolarHBondContact O-N 2.98Å; I558-L562 HydrophobicContact CG2-CD1 3.98Å; I558-L562 HydrophobicContact CG2-CG 4.47Å; I558-L562 VanDerWaalsContact O-CG 3.31Å; I558-L562 WeakPolarHBondContact O-CG 3.15Å; I558-L562 PolarHBondContact O-N 3.41Å
559I93.6Very high90.7Very high107 Ų10763.8 Ų63.855%0.54931%0.306SS..Hα-helixtrans-60.5-46177.7-67.8171.6000110.4T555 I556 L562 F563T555-I559 HydrophobicContact CG2-CD1 3.78Å; T555-I559 HydrophobicContact CG2-CG1 4.46Å; T555-I559 WeakPolarHBondContact O-CG1 3.18Å; T555-I559 PolarHBondContact O-N 3.21Å; I556-I559 PolarHBondContact O-N 3.23Å; I559-L562 PolarHBondContact O-N 3.43Å; I559-F563 VanDerWaalsContact O-CB 3.23Å; I559-F563 WeakPolarHBondContact O-CB 3.06Å; I559-F563 PolarHBondContact O-N 3.04Å
560W90.3Very high90.7Very high80 Ų8065.2 Ų65.230%0.30332%0.315SS..Hα-helixtrans-57.6-49.8176.8174.6-98000111.9L52 L55 F283 I556 I558 L562 F563 C564L52-W560 HydrophobicContact CD2-CZ2 3.81Å; L55-W560 HydrophobicContact CD1-CD2 4.03Å; L55-W560 HydrophobicContact CD1-CG 4.06Å; L55-W560 HydrophobicContact CD1-CZ2 4.18Å; F283-W560 AromaticContact CE2-NE1 3.88Å; I556-W560 WeakPolarHBondContact O-CB 3.18Å; I556-W560 PolarHBondContact O-N 3.18Å; I558-W560 VanDerWaalsContact C-N 3.34Å; I558-W560 PolarHBondContact O-N 3.44Å; W560-L562 PolarHBondContact O-N 3.07Å; W560-F563 PolarHBondContact O-N 3.43Å; W560-C564 WeakPolarHBondContact O-CB 3.47Å; W560-C564 PolarHBondContact O-N 3.08Å; W560-C564 PolarHBondContact O-SG 2.84Å; W560-C564 VanDerWaalsContact O-SG 3.32Å
561A91.4Very high90.5Very high0 Ų060.4 Ų60.40%029%0.294CS..Hα-helixtrans-60.7-47.1-179.300000111.8Y452 I453 I557 I558 T565Y452-A561 HydrophobicContact CD2-CB 4.03Å; Y452-A561 HydrophobicContact CG-CB 4.16Å; I453-A561 HydrophobicContact CD1-CB 4.49Å; I453-A561 HydrophobicContact CG1-CB 3.88Å; I557-A561 VanDerWaalsContact O-CB 3.27Å; I557-A561 WeakPolarHBondContact O-CB 3.42Å; I557-A561 PolarHBondContact O-N 3.26Å; I558-A561 PolarHBondContact O-N 2.98Å; A561-T565 WeakPolarHBondContact O-CB 3.34Å; A561-T565 PolarHBondContact O-N 3.03Å; A561-T565 PolarHBondContact O-OG1 3.26Å; A561-T565 VanDerWaalsContact O-OG1 3.12Å
562L91.5Very high90.1Very high89 Ų8955.8 Ų55.847%0.46627%0.274SS..Hα-helixtrans-63-46.6178.2-68.5174.6000111.2I453 I558 I559 W560 C564 T565 I566I453-L562 HydrophobicContact CD1-CD2 4.33Å; I558-L562 HydrophobicContact CG2-CD1 3.98Å; I558-L562 HydrophobicContact CG2-CG 4.47Å; I558-L562 VanDerWaalsContact O-CG 3.31Å; I558-L562 WeakPolarHBondContact O-CG 3.15Å; I558-L562 PolarHBondContact O-N 3.41Å; I559-L562 PolarHBondContact O-N 3.43Å; W560-L562 PolarHBondContact O-N 3.07Å; L562-C564 PolarHBondContact O-N 3.28Å; L562-T565 PolarHBondContact O-N 3.49Å; L562-I566 WeakPolarHBondContact O-CB 3.41Å; L562-I566 WeakPolarHBondContact O-CD1 3.17Å; L562-I566 WeakPolarHBondContact O-CG1 3.39Å; L562-I566 PolarHBondContact O-N 3.04Å
563F90.4Very high89.5Confident120 Ų12055.3 Ų55.353%0.52628%0.275SS..Hα-helixtrans-58.4-49.8178.3176.5-105.7000111.8I559 W560 I566 I567I559-F563 VanDerWaalsContact O-CB 3.23Å; I559-F563 WeakPolarHBondContact O-CB 3.06Å; I559-F563 PolarHBondContact O-N 3.04Å; W560-F563 PolarHBondContact O-N 3.43Å; F563-I566 PolarHBondContact O-N 2.59Å; F563-I567 HydrophobicContact CD1-CD1 3.87Å; F563-I567 HydrophobicContact CD2-CD1 4.16Å; F563-I567 HydrophobicContact CE1-CD1 3.33Å; F563-I567 HydrophobicContact CE2-CD1 3.65Å; F563-I567 HydrophobicContact CE2-CG1 4.44Å; F563-I567 HydrophobicContact CG-CD1 4.27Å; F563-I567 HydrophobicContact CZ-CD1 3.22Å; F563-I567 HydrophobicContact CZ-CG1 4.42Å; F563-I567 WeakPolarHBondContact O-CG1 3.43Å; F563-I567 PolarHBondContact O-N 3.36Å
564C87.3Confident88.5Confident11 Ų1159.3 Ų59.37%0.07430%0.296CS..Hα-helixtrans-66.7-43.5-179.9-66.40000112.3F283 W560 L562 I566 I567 V568F283-C564 HydrophobicContact CD1-CB 3.94Å; F283-C564 HydrophobicContact CD2-CB 3.89Å; F283-C564 HydrophobicContact CE1-CB 3.47Å; F283-C564 VanDerWaalsContact CE1-CB 3.47Å; F283-C564 HydrophobicContact CE2-CB 3.43Å; F283-C564 VanDerWaalsContact CE2-CB 3.43Å; F283-C564 HydrophobicContact CG-CB 4.14Å; F283-C564 HydrophobicContact CZ-CB 3.19Å; W560-C564 WeakPolarHBondContact O-CB 3.47Å; W560-C564 PolarHBondContact O-N 3.08Å; W560-C564 PolarHBondContact O-SG 2.84Å; W560-C564 VanDerWaalsContact O-SG 3.32Å; L562-C564 PolarHBondContact O-N 3.28Å; C564-I566 VanDerWaalsContact C-N 3.32Å; C564-I566 PolarHBondContact O-N 3.21Å; C564-I567 PolarHBondContact O-N 3.08Å; C564-V568 WeakPolarHBondContact O-CG2 2.93Å; C564-V568 PolarHBondContact O-N 3.05Å
565T88.2Confident87.1Confident28 Ų2866 Ų6617%0.17233%0.327CS..Hα-helixtrans-63-39.1177.3-65.60000111.6A444 S448 A561 L562 V568 L569A444-T565 PolarHBondContact O-OG1 3.09Å; S448-T565 WeakPolarHBondContact CB-OG1 3.49Å; S448-T565 PolarHBondContact OG-OG1 3.27Å; A561-T565 WeakPolarHBondContact O-CB 3.34Å; A561-T565 PolarHBondContact O-N 3.03Å; A561-T565 PolarHBondContact O-OG1 3.26Å; A561-T565 VanDerWaalsContact O-OG1 3.12Å; L562-T565 PolarHBondContact O-N 3.49Å; T565-V568 PolarHBondContact O-N 3.48Å; T565-L569 VanDerWaalsContact O-CB 3.25Å; T565-L569 WeakPolarHBondContact O-CB 3.33Å; T565-L569 PolarHBondContact O-N 3.4Å
566I89Confident85.3Confident96 Ų9672.8 Ų72.849%0.49236%0.36SS..Hα-helixtrans-63.7-45.6174.9-70.2165.6000110.8L562 F563 C564 V568 L569 I570L562-I566 WeakPolarHBondContact O-CB 3.41Å; L562-I566 WeakPolarHBondContact O-CD1 3.17Å; L562-I566 WeakPolarHBondContact O-CG1 3.39Å; L562-I566 PolarHBondContact O-N 3.04Å; F563-I566 PolarHBondContact O-N 2.59Å; C564-I566 VanDerWaalsContact C-N 3.32Å; C564-I566 PolarHBondContact O-N 3.21Å; I566-V568 PolarHBondContact O-N 3.27Å; I566-L569 PolarHBondContact O-N 3.08Å; I566-I570 HydrophobicContact CG2-CD1 3.72Å; I566-I570 HydrophobicContact CG2-CG1 4.39Å; I566-I570 VanDerWaalsContact O-CG1 3.29Å; I566-I570 WeakPolarHBondContact O-CG1 3.27Å; I566-I570 PolarHBondContact O-N 3.36Å
567I87.2Confident84.8Confident64 Ų6473.2 Ų73.233%0.32836%0.362SS..Hα-helixtrans-60.2-46.7177.9-75.8175.8000111.4P280 F563 C564 L569 I570 D571P280-I567 HydrophobicContact CB-CG2 4.23Å; P280-I567 HydrophobicContact CG-CG2 3.82Å; F563-I567 HydrophobicContact CD1-CD1 3.87Å; F563-I567 HydrophobicContact CD2-CD1 4.16Å; F563-I567 HydrophobicContact CE1-CD1 3.33Å; F563-I567 HydrophobicContact CE2-CD1 3.65Å; F563-I567 HydrophobicContact CE2-CG1 4.44Å; F563-I567 HydrophobicContact CG-CD1 4.27Å; F563-I567 HydrophobicContact CZ-CD1 3.22Å; F563-I567 HydrophobicContact CZ-CG1 4.42Å; F563-I567 WeakPolarHBondContact O-CG1 3.43Å; F563-I567 PolarHBondContact O-N 3.36Å; C564-I567 PolarHBondContact O-N 3.08Å; I567-L569 VanDerWaalsContact C-N 3.31Å; I567-L569 PolarHBondContact O-N 3.22Å; I567-I570 PolarHBondContact O-N 2.66Å; I567-D571 WeakPolarHBondContact O-CB 3.23Å; I567-D571 PolarHBondContact O-N 3.07Å
568V85.7Confident84.3Confident1 Ų177 Ų771%0.00638%0.381CS..Hα-helixtrans-65.4-38.8177.8-178.30000111P280 F283 A444 C564 T565 I566 I570 D571 K572P280-V568 HydrophobicContact CB-CB 4.44Å; P280-V568 HydrophobicContact CB-CG2 3.89Å; P280-V568 VanDerWaalsContact O-CG2 3.28Å; P280-V568 WeakPolarHBondContact O-CG2 3.33Å; F283-V568 HydrophobicContact CD1-CG2 3.79Å; A444-V568 HydrophobicContact CB-CB 3.74Å; A444-V568 HydrophobicContact CB-CG1 3.49Å; A444-V568 VanDerWaalsContact CB-CG1 3.49Å; A444-V568 HydrophobicContact CB-CG2 3.69Å; C564-V568 WeakPolarHBondContact O-CG2 2.93Å; C564-V568 PolarHBondContact O-N 3.05Å; T565-V568 PolarHBondContact O-N 3.48Å; I566-V568 PolarHBondContact O-N 3.27Å; V568-I570 VanDerWaalsContact C-N 3.34Å; V568-I570 PolarHBondContact O-N 2.9Å; V568-D571 WeakPolarHBondContact O-CB 3.35Å; V568-D571 PolarHBondContact O-N 2.97Å; V568-K572 HydrophobicContact CG1-CG 3.98Å; V568-K572 WeakPolarHBondContact O-CB 3.36Å; V568-K572 WeakPolarHBondContact O-CG 3.34Å; V568-K572 PolarHBondContact O-N 2.81Å
569L87.1Confident83.8Confident79 Ų7978.9 Ų78.941%0.41439%0.39SS..Hα-helixtrans-62.5-43.1177.3-174.662.8000111.4T565 I566 I567 K572 I573T565-L569 VanDerWaalsContact O-CB 3.25Å; T565-L569 WeakPolarHBondContact O-CB 3.33Å; T565-L569 PolarHBondContact O-N 3.4Å; I566-L569 PolarHBondContact O-N 3.08Å; I567-L569 VanDerWaalsContact C-N 3.31Å; I567-L569 PolarHBondContact O-N 3.22Å; L569-K572 PolarHBondContact O-N 3.26Å; L569-I573 HydrophobicContact CD1-CD1 3.91Å; L569-I573 HydrophobicContact CD1-CG1 4.26Å; L569-I573 HydrophobicContact CD2-CD1 4.44Å; L569-I573 HydrophobicContact CG-CD1 3.74Å; L569-I573 HydrophobicContact CG-CG1 4.44Å; L569-I573 WeakPolarHBondContact O-CB 3.28Å; L569-I573 WeakPolarHBondContact O-CG1 3.32Å; L569-I573 PolarHBondContact O-N 2.93Å
570I86.6Confident83.2Confident107 Ų10777.3 Ų77.355%0.54938%0.381SS..Hα-helixtrans-62.6-46.4175.7-68.1166.9000110.7I566 I567 V568 K572 I573 H574I566-I570 HydrophobicContact CG2-CD1 3.72Å; I566-I570 HydrophobicContact CG2-CG1 4.39Å; I566-I570 VanDerWaalsContact O-CG1 3.29Å; I566-I570 WeakPolarHBondContact O-CG1 3.27Å; I566-I570 PolarHBondContact O-N 3.36Å; I567-I570 PolarHBondContact O-N 2.66Å; V568-I570 VanDerWaalsContact C-N 3.34Å; V568-I570 PolarHBondContact O-N 2.9Å; I570-K572 VanDerWaalsContact C-N 3.32Å; I570-K572 PolarHBondContact O-N 3.42Å; I570-I573 PolarHBondContact O-N 3.49Å; I570-H574 WeakPolarHBondContact O-CB 3.35Å; I570-H574 PolarHBondContact O-N 3.28Å
571D84.2Confident82.8Confident30 Ų3077.1 Ų77.116%0.1639%0.386CS..Hα-helixtrans-55.2-47.6175.9177.177.7000111.4P280 I567 V568 H574 H575P280-D571 HydrophobicContact CB-CB 3.72Å; P280-D571 HydrophobicContact CG-CB 3.91Å; I567-D571 WeakPolarHBondContact O-CB 3.23Å; I567-D571 PolarHBondContact O-N 3.07Å; V568-D571 WeakPolarHBondContact O-CB 3.35Å; V568-D571 PolarHBondContact O-N 2.97Å; D571-H574 PolarHBondContact O-N 3.07Å; D571-H575 PolarHBondContact O-CD2 2.97Å; D571-H575 PolarHBondContact O-N 3.45Å
572K81.8Confident82.2Confident16 Ų1682.3 Ų82.37%0.0741%0.411CS..Hα-helixtrans-72.6-33.8-178.5-62-63.7170.7-119.90113.4Y437 F441 V568 L569 I570Y437-K572 HydrophobicContact CD2-CD 4.26Å; Y437-K572 HydrophobicContact CE2-CD 3.47Å; Y437-K572 VanDerWaalsContact CE2-CD 3.47Å; F441-K572 HydrophobicContact CD2-CG 4.47Å; V568-K572 HydrophobicContact CG1-CG 3.98Å; V568-K572 WeakPolarHBondContact O-CB 3.36Å; V568-K572 WeakPolarHBondContact O-CG 3.34Å; V568-K572 PolarHBondContact O-N 2.81Å; L569-K572 PolarHBondContact O-N 3.26Å; I570-K572 VanDerWaalsContact C-N 3.32Å; I570-K572 PolarHBondContact O-N 3.42Å
573I80.8Confident81.5Confident96 Ų9681.8 Ų81.849%0.49241%0.407SS..Hα-helixtrans-71.1-39175.2-69.8170000111L569 I570 H575 L576L569-I573 HydrophobicContact CD1-CD1 3.91Å; L569-I573 HydrophobicContact CD1-CG1 4.26Å; L569-I573 HydrophobicContact CD2-CD1 4.44Å; L569-I573 HydrophobicContact CG-CD1 3.74Å; L569-I573 HydrophobicContact CG-CG1 4.44Å; L569-I573 WeakPolarHBondContact O-CB 3.28Å; L569-I573 WeakPolarHBondContact O-CG1 3.32Å; L569-I573 PolarHBondContact O-N 2.93Å; I570-I573 PolarHBondContact O-N 3.49Å; I573-H575 PolarHBondContact O-N 3.16Å; I573-L576 PolarHBondContact O-N 3.2Å; I573-L576 VanDerWaalsContact O-N 3.09Å
574H74.1Confident80.8Confident158 Ų15878.8 Ų78.873%0.73140%0.398SS*.Hα-helixtrans-64.3-20.5179.2-172.2-78.2000113I570 D571I570-H574 WeakPolarHBondContact O-CB 3.35Å; I570-H574 PolarHBondContact O-N 3.28Å; D571-H574 PolarHBondContact O-N 3.07Å
575H63.3Low80.3Confident145 Ų14584.5 Ų84.567%0.67143%0.425SS*.THydrogen-bonded Turntrans-90.6-9.4175.9-77.5-62.2000114.6D571 I573D571-H575 PolarHBondContact O-CD2 2.97Å; D571-H575 PolarHBondContact O-N 3.45Å; I573-H575 PolarHBondContact O-N 3.16Å
576L55.6Low79.6Confident194 Ų19489.6 Ų89.6100%1.01645%0.448SS*.  trans-87.80171.3-72.9166.1000109.9I573I573-L576 PolarHBondContact O-N 3.2Å; I573-L576 VanDerWaalsContact O-N 3.09Å

Retrieved 576 of 576 residues in 962.1 ms (Link to these results)

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