A0A087XQL3_POEFO Loading...

Gamma-tubulin complex component

Component of the gamma-tubulin ring complex (gTuRC) which mediates microtubule nucleation. The gTuRC regulates the minus-end nucleation of alpha-beta tubulin heterodimers that grow into microtubule protafilaments, a critical step in centrosome duplication and spindle formation.

AlphaFold DB , UniProt , Accession A0A087XQL3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 667 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
1M80.8Confident87.3Confident73 Ų7334.4 Ų34.436%0.3619%0.187SC..  0-49.60-173.4-178.959.200112.5H3 E4 L5 F33 L34 L42 I119M1-H3 VanDerWaalsContact C-N 3.34Å; M1-H3 PolarHBondContact O-N 3.04Å; M1-E4 PolarHBondContact O-N 3.4Å; M1-L5 WeakPolarHBondContact O-CB 3.34Å; M1-L5 PolarHBondContact O-N 3.17Å; M1-F33 HydrophobicContact SD-CE2 4.08Å; M1-L34 HydrophobicContact CE-CD2 3.9Å; M1-L34 HydrophobicContact SD-CD1 3.98Å; M1-L34 HydrophobicContact SD-CD2 3.65Å; M1-L34 HydrophobicContact SD-CG 4.29Å; M1-L42 HydrophobicContact SD-CD1 4.2Å; M1-I119 HydrophobicContact CE-CD1 3.61Å; M1-I119 HydrophobicContact CE-CG1 4.06Å
2I84.1Confident87.4Confident17 Ų1745 Ų459%0.08722%0.224CC..Hα-helixtrans-60.9-41.6178-59.9-61.1000112.1E4 L5 L6 F111 L117 I119I2-E4 PolarHBondContact O-N 2.96Å; I2-L5 HydrophobicContact CD1-CD2 4.46Å; I2-L5 WeakPolarHBondContact O-CB 3.5Å; I2-L5 PolarHBondContact O-N 3.1Å; I2-L5 VanDerWaalsContact O-N 3.13Å; I2-L6 HydrophobicContact CG2-CD1 4.37Å; I2-L6 HydrophobicContact CG2-CG 4.45Å; I2-L6 WeakPolarHBondContact O-CG 3.28Å; I2-L6 PolarHBondContact O-N 3.14Å; I2-F111 HydrophobicContact CB-CD2 4.3Å; I2-F111 HydrophobicContact CB-CE2 4.09Å; I2-F111 HydrophobicContact CG2-CD2 3.93Å; I2-F111 HydrophobicContact CG2-CE2 4.23Å; I2-F111 HydrophobicContact CG2-CG 4.44Å; I2-L117 WeakPolarHBondContact CG1-O 3.43Å; I2-L117 HydrophobicContact CG2-CD2 4.35Å; I2-I119 HydrophobicContact CD1-CG1 3.77Å
3H87Confident87.5Confident91 Ų9146.9 Ų46.942%0.42124%0.242SC..Hα-helixtrans-55.6-50.5172.4-178.364.8000112.9M1 L5 L6 L7 F111M1-H3 VanDerWaalsContact C-N 3.34Å; M1-H3 PolarHBondContact O-N 3.04Å; H3-L5 VanDerWaalsContact C-N 3.26Å; H3-L5 PolarHBondContact O-N 3.42Å; H3-L6 PolarHBondContact O-N 3.25Å; H3-L7 WeakPolarHBondContact O-CG 3.25Å; H3-L7 PolarHBondContact O-N 3.18Å; H3-F111 HydrophobicContact CB-CE1 4.13Å; H3-F111 HydrophobicContact CB-CZ 4.43Å
4E87.3Confident87.3Confident57 Ų5745.5 Ų45.527%0.26625%0.245SC..Hα-helixtrans-60.9-33.8175.7-65.2-70.5140.200112.6M1 I2 A8 I16 F17M1-E4 PolarHBondContact O-N 3.4Å; I2-E4 PolarHBondContact O-N 2.96Å; E4-A8 VanDerWaalsContact O-CB 3.25Å; E4-A8 WeakPolarHBondContact O-CB 3.45Å; E4-A8 PolarHBondContact O-N 3.27Å; E4-I16 HydrophobicContact CG-CD1 4.29Å; E4-F17 HydrophobicContact CB-CD2 3.99Å; E4-F17 HydrophobicContact CB-CE2 3.89Å; E4-F17 WeakPolarHBondContact O-CD2 3.32Å
5L87.4Confident86.9Confident1 Ų150.7 Ų50.71%0.00528%0.279CS..Hα-helixtrans-69.4-43.6176.1175.863.8000111.4M1 I2 H3 A8 L9 F17 L42 L45 V122M1-L5 WeakPolarHBondContact O-CB 3.34Å; M1-L5 PolarHBondContact O-N 3.17Å; I2-L5 HydrophobicContact CD1-CD2 4.46Å; I2-L5 WeakPolarHBondContact O-CB 3.5Å; I2-L5 PolarHBondContact O-N 3.1Å; I2-L5 VanDerWaalsContact O-N 3.13Å; H3-L5 VanDerWaalsContact C-N 3.26Å; H3-L5 PolarHBondContact O-N 3.42Å; L5-A8 PolarHBondContact O-N 3.16Å; L5-L9 HydrophobicContact CD1-CD1 4.19Å; L5-L9 HydrophobicContact CD1-CG 4.26Å; L5-L9 HydrophobicContact CG-CD1 4.06Å; L5-L9 WeakPolarHBondContact O-CB 3.34Å; L5-L9 VanDerWaalsContact O-CG 3.23Å; L5-L9 WeakPolarHBondContact O-CG 3.48Å; L5-L9 PolarHBondContact O-N 2.96Å; L5-F17 VanDerWaalsContact CA-CE2 3.48Å; L5-F17 HydrophobicContact CB-CE2 3.81Å; L5-F17 HydrophobicContact CB-CZ 3.8Å; L5-F17 HydrophobicContact CD1-CE1 3.94Å; L5-F17 HydrophobicContact CD1-CE2 4.41Å; L5-F17 HydrophobicContact CD1-CZ 3.78Å; L5-F17 HydrophobicContact CG-CZ 4.35Å; L5-L42 HydrophobicContact CD1-CD2 3.98Å; L5-L42 HydrophobicContact CD2-CD2 3.74Å; L5-L42 HydrophobicContact CG-CD2 4.42Å; L5-L45 HydrophobicContact CD1-CB 4.34Å; L5-L45 HydrophobicContact CD1-CD1 4.43Å; L5-L45 HydrophobicContact CD2-CD1 4.05Å; L5-V122 HydrophobicContact CD2-CG1 4.25Å
6L88.7Confident86.7Confident13 Ų1349.9 Ų49.97%0.06827%0.274CS..Hα-helixtrans-65.2-38.9176.6-67.5177.8000111.6I2 H3 L9 S10 L104 L107I2-L6 HydrophobicContact CG2-CD1 4.37Å; I2-L6 HydrophobicContact CG2-CG 4.45Å; I2-L6 WeakPolarHBondContact O-CG 3.28Å; I2-L6 PolarHBondContact O-N 3.14Å; H3-L6 PolarHBondContact O-N 3.25Å; L6-L9 PolarHBondContact O-N 3.29Å; L6-S10 WeakPolarHBondContact O-CB 3.44Å; L6-S10 PolarHBondContact O-N 2.97Å; L6-S10 PolarHBondContact O-OG 3.28Å; L6-L104 HydrophobicContact CD2-CD2 4.44Å; L6-L107 HydrophobicContact CD2-CB 3.99Å; L6-L107 HydrophobicContact CD2-CD1 4.24Å
7L88.8Confident86.7Confident61 Ų6147 Ų4732%0.31926%0.258SS..Hα-helixtrans-62.4-45.6172.4-72.7175.3000111.8H3 L9 S10 G11 Y12H3-L7 WeakPolarHBondContact O-CG 3.25Å; H3-L7 PolarHBondContact O-N 3.18Å; L7-L9 PolarHBondContact O-N 3.28Å; L7-S10 CarbonylContact O-C 3.31Å; L7-S10 WeakPolarHBondContact O-CB 3.2Å; L7-S10 PolarHBondContact O-N 2.94Å; L7-S10 VanDerWaalsContact O-N 3.13Å; L7-G11 PolarHBondContact O-N 3.04Å; L7-Y12 CarbonylContact C-O 3.39Å; L7-Y12 PolarHBondContact O-N 3.23Å
8A88.9Confident86.7Confident1 Ų147.9 Ų47.91%0.00827%0.265CS..Hα-helixtrans-62.8-40.7177.400000112.4E4 L5 S10 G11 Y12 F17 L25E4-A8 VanDerWaalsContact O-CB 3.25Å; E4-A8 WeakPolarHBondContact O-CB 3.45Å; E4-A8 PolarHBondContact O-N 3.27Å; L5-A8 PolarHBondContact O-N 3.16Å; A8-S10 VanDerWaalsContact C-N 3.28Å; A8-S10 PolarHBondContact O-N 3.26Å; A8-G11 PolarHBondContact O-N 3.16Å; A8-G11 VanDerWaalsContact O-N 3.14Å; A8-Y12 WeakPolarHBondContact CA-O 3.31Å; A8-Y12 PolarHBondContact N-O 3.17Å; A8-F17 HydrophobicContact CB-CB 3.6Å; A8-F17 HydrophobicContact CB-CD2 3.93Å; A8-F17 HydrophobicContact CB-CG 3.79Å; A8-L25 HydrophobicContact CB-CD1 4.35Å; A8-L25 HydrophobicContact CB-CD2 3.69Å
9L90.2Very high86.7Confident0 Ų048.8 Ų48.80%026%0.264CS..Hα-helixtrans-68-26.6174.6-73.5172.6000113.3L5 L6 L7 G11 L45 Y100 L104 V122 L126L5-L9 HydrophobicContact CD1-CD1 4.19Å; L5-L9 HydrophobicContact CD1-CG 4.26Å; L5-L9 HydrophobicContact CG-CD1 4.06Å; L5-L9 WeakPolarHBondContact O-CB 3.34Å; L5-L9 VanDerWaalsContact O-CG 3.23Å; L5-L9 WeakPolarHBondContact O-CG 3.48Å; L5-L9 PolarHBondContact O-N 2.96Å; L6-L9 PolarHBondContact O-N 3.29Å; L7-L9 PolarHBondContact O-N 3.28Å; L9-G11 PolarHBondContact O-N 2.76Å; L9-L45 HydrophobicContact CD2-CB 4.36Å; L9-L45 VanDerWaalsContact CD2-O 3.25Å; L9-L45 WeakPolarHBondContact CD2-O 3.46Å; L9-Y100 PolarHBondContact O-OH 3.3Å; L9-L104 HydrophobicContact CB-CD2 3.98Å; L9-L104 HydrophobicContact CD1-CD2 4.32Å; L9-V122 HydrophobicContact CD1-CG1 4.3Å; L9-L126 HydrophobicContact CD1-CD1 3.58Å
10S89.6Confident86.6Confident42 Ų4250.1 Ų50.129%0.29427%0.27SS..THydrogen-bonded Turntrans-80.8-1.8173.6-56.20000113.1L6 L7 A8 Y52L6-S10 WeakPolarHBondContact O-CB 3.44Å; L6-S10 PolarHBondContact O-N 2.97Å; L6-S10 PolarHBondContact O-OG 3.28Å; L7-S10 CarbonylContact O-C 3.31Å; L7-S10 WeakPolarHBondContact O-CB 3.2Å; L7-S10 PolarHBondContact O-N 2.94Å; L7-S10 VanDerWaalsContact O-N 3.13Å; A8-S10 VanDerWaalsContact C-N 3.28Å; A8-S10 PolarHBondContact O-N 3.26Å; S10-Y52 WeakPolarHBondContact O-CE1 3.43Å
11G87.2Confident86Confident22 Ų2256.6 Ų56.623%0.22730%0.296CS..THydrogen-bonded Turntrans9610.1176.800000115.5L7 A8 L9 P13L7-G11 PolarHBondContact O-N 3.04Å; A8-G11 PolarHBondContact O-N 3.16Å; A8-G11 VanDerWaalsContact O-N 3.14Å; L9-G11 PolarHBondContact O-N 2.76Å; G11-P13 WeakPolarHBondContact O-CD 3.37Å
12Y89.1Confident85.7Confident162 Ų16263.8 Ų63.864%0.63532%0.319SS*.  trans-103.8106.1177.3-62.4-78.5000110.6L7 A8L7-Y12 CarbonylContact C-O 3.39Å; L7-Y12 PolarHBondContact O-N 3.23Å; A8-Y12 WeakPolarHBondContact CA-O 3.31Å; A8-Y12 PolarHBondContact N-O 3.17Å
13P87.9Confident85.3Confident70 Ų7066.6 Ų66.646%0.45534%0.337SS..  trans-66.8145178.2-17.732.4000111.4G11 W19G11-P13 WeakPolarHBondContact O-CD 3.37Å; P13-W19 HydrophobicContact CB-CB 3.64Å; P13-W19 HydrophobicContact CG-CB 3.43Å; P13-W19 VanDerWaalsContact CG-CB 3.43Å; P13-W19 HydrophobicContact CG-CG 4.11Å
14G85Confident85.2Confident27 Ų2762.3 Ų62.328%0.27832%0.318SS..  trans-122.2-168.3179.300000112.9F17G14-F17 PolarHBondContact N-O 3.39Å; G14-F17 CarbonylContact O-C 3.56Å; G14-F17 VanDerWaalsContact O-O 3.09Å
15T81.7Confident85.2Confident124 Ų12460 Ų6076%0.76131%0.307SS*.SBendtrans-78.8-28.6175.453.80000112.4
16I83.1Confident85.1Confident38 Ų3863.4 Ų63.420%0.19532%0.323CS..SBendtrans-85.6-40.2176.8-69174.9000111.4E4 S28 L31E4-I16 HydrophobicContact CG-CD1 4.29Å; I16-S28 PolarHBondContact O-N 3.46Å; I16-L31 HydrophobicContact CG2-CD1 4.02Å
17F86.9Confident85Confident0 Ų063.2 Ų63.20%032%0.322CS..EExtended strand (participates in β ladder)trans-111.596.4178.4-60.1-79000109.3E4 L5 A8 G14 L25 Q26 V27 L42 C46E4-F17 HydrophobicContact CB-CD2 3.99Å; E4-F17 HydrophobicContact CB-CE2 3.89Å; E4-F17 WeakPolarHBondContact O-CD2 3.32Å; L5-F17 VanDerWaalsContact CA-CE2 3.48Å; L5-F17 HydrophobicContact CB-CE2 3.81Å; L5-F17 HydrophobicContact CB-CZ 3.8Å; L5-F17 HydrophobicContact CD1-CE1 3.94Å; L5-F17 HydrophobicContact CD1-CE2 4.41Å; L5-F17 HydrophobicContact CD1-CZ 3.78Å; L5-F17 HydrophobicContact CG-CZ 4.35Å; A8-F17 HydrophobicContact CB-CB 3.6Å; A8-F17 HydrophobicContact CB-CD2 3.93Å; A8-F17 HydrophobicContact CB-CG 3.79Å; G14-F17 PolarHBondContact N-O 3.39Å; G14-F17 CarbonylContact O-C 3.56Å; G14-F17 VanDerWaalsContact O-O 3.09Å; F17-L25 HydrophobicContact CB-CD1 3.99Å; F17-L25 HydrophobicContact CB-CG 4.32Å; F17-Q26 CarbonylContact C-O 3.56Å; F17-Q26 WeakPolarHBondContact CA-O 3.4Å; F17-V27 HydrophobicContact CD1-CG2 4.03Å; F17-V27 HydrophobicContact CE1-CG2 3.83Å; F17-L42 HydrophobicContact CE1-CB 4.49Å; F17-L42 HydrophobicContact CE1-CD2 4.32Å; F17-L42 HydrophobicContact CZ-CD2 4.19Å; F17-C46 VanDerWaalsContact CD1-SG 3.53Å
18T86.1Confident84.7Confident63 Ų6362.6 Ų62.639%0.38732%0.323SS..EExtended strand (participates in β ladder)trans-89.7143.8-174.961.60000111.2L25 Q26T18-L25 CarbonylContact O-C 3.59Å; T18-L25 WeakPolarHBondContact O-CA 3.43Å; T18-Q26 PolarHBondContact N-O 2.94Å; T18-Q26 PolarHBondContact O-N 3.18Å
19W86.8Confident83.6Confident66 Ų6670.9 Ų70.925%0.2536%0.362CS..EExtended strand (participates in β ladder)trans-100.8129.1177.7175.6-110.7000111.7P13 L25 I53P13-W19 HydrophobicContact CB-CB 3.64Å; P13-W19 HydrophobicContact CG-CB 3.43Å; P13-W19 VanDerWaalsContact CG-CB 3.43Å; P13-W19 HydrophobicContact CG-CG 4.11Å; W19-L25 HydrophobicContact CE3-CB 4.05Å; W19-L25 HydrophobicContact CZ3-CB 4.33Å; W19-I53 HydrophobicContact CD2-CD1 4.17Å; W19-I53 HydrophobicContact CE3-CD1 3.62Å; W19-I53 HydrophobicContact CH2-CB 3.85Å; W19-I53 HydrophobicContact CH2-CD1 4.02Å; W19-I53 HydrophobicContact CH2-CG2 3.69Å; W19-I53 HydrophobicContact CZ2-CB 4.29Å; W19-I53 HydrophobicContact CZ2-CG2 3.6Å; W19-I53 HydrophobicContact CZ3-CB 4.23Å; W19-I53 HydrophobicContact CZ3-CD1 3.56Å; W19-I53 HydrophobicContact CZ3-CG1 4.49Å; W19-I53 HydrophobicContact CZ3-CG2 4.36Å
20N85.8Confident82.5Confident73 Ų7377.6 Ų77.639%0.3940%0.398SS..EExtended strand (participates in β ladder)trans-124.3129.7171.1-176-27000109.9R22 T23 G24N20-R22 PolarHBondContact O-N 3.17Å; N20-R22 VanDerWaalsContact O-N 3.08Å; N20-R22 PolarHBondContact OD1-N 3.16Å; N20-T23 WeakPolarHBondContact CB-OG1 3.33Å; N20-T23 PolarHBondContact O-N 3.28Å; N20-G24 PolarHBondContact N-O 3.33Å; N20-G24 VanDerWaalsContact O-CA 3.29Å; N20-G24 WeakPolarHBondContact O-CA 3.49Å; N20-G24 PolarHBondContact O-N 2.95Å
21K74.5Confident81.9Confident187 Ų18777.4 Ų77.481%0.81339%0.393SS*.THydrogen-bonded Turntrans-56-28.7-180-67.8-171.7175-172.80114
22R74.4Confident81.5Confident225 Ų22582.5 Ų82.585%0.84942%0.422SS*.THydrogen-bonded Turntrans-89.5-43.8-178.9-67.4-174.5-177173.81.4113.1N20N20-R22 PolarHBondContact O-N 3.17Å; N20-R22 VanDerWaalsContact O-N 3.08Å; N20-R22 PolarHBondContact OD1-N 3.16Å
23T74.6Confident81.1Confident75 Ų7580.8 Ų80.846%0.4642%0.418SS..THydrogen-bonded Turntrans-105-4.3-170.253.40000113.9N20 Q26N20-T23 WeakPolarHBondContact CB-OG1 3.33Å; N20-T23 PolarHBondContact O-N 3.28Å; T23-Q26 VanDerWaalsContact CB-NE2 3.26Å; T23-Q26 PolarHBondContact OG1-NE2 3.25Å
24G85.3Confident80.9Confident1 Ų178.5 Ų78.51%0.0140%0.402CS..EExtended strand (participates in β ladder)trans79.3-157.1-176.700000112.6N20N20-G24 PolarHBondContact N-O 3.33Å; N20-G24 VanDerWaalsContact O-CA 3.29Å; N20-G24 WeakPolarHBondContact O-CA 3.49Å; N20-G24 PolarHBondContact O-N 2.95Å
25L87.5Confident80.9Confident8 Ų882.8 Ų82.84%0.04242%0.415CS..EExtended strand (participates in β ladder)trans-73.6133.1176.4-168.569.9000109.8A8 F17 T18 W19 C46 S50A8-L25 HydrophobicContact CB-CD1 4.35Å; A8-L25 HydrophobicContact CB-CD2 3.69Å; F17-L25 HydrophobicContact CB-CD1 3.99Å; F17-L25 HydrophobicContact CB-CG 4.32Å; T18-L25 CarbonylContact O-C 3.59Å; T18-L25 WeakPolarHBondContact O-CA 3.43Å; W19-L25 HydrophobicContact CE3-CB 4.05Å; W19-L25 HydrophobicContact CZ3-CB 4.33Å; L25-C46 HydrophobicContact CB-CB 3.99Å; L25-C46 HydrophobicContact CD2-CB 3.97Å; L25-C46 HydrophobicContact CG-CB 4Å; L25-C46 VanDerWaalsContact O-CB 3.32Å; L25-C46 WeakPolarHBondContact O-CB 3.47Å; L25-S50 WeakPolarHBondContact CB-OG 3.49Å; L25-S50 PolarHBondContact N-OG 3.44Å
26Q85.4Confident81Confident73 Ų7381.6 Ų81.634%0.34141%0.409SS..EExtended strand (participates in β ladder)trans-136.6144.5-179-66.4-174.4-27.400111.6F17 T18 T23F17-Q26 CarbonylContact C-O 3.56Å; F17-Q26 WeakPolarHBondContact CA-O 3.4Å; T18-Q26 PolarHBondContact N-O 2.94Å; T18-Q26 PolarHBondContact O-N 3.18Å; T23-Q26 VanDerWaalsContact CB-NE2 3.26Å; T23-Q26 PolarHBondContact OG1-NE2 3.25Å
27V85.6Confident81.1Confident9 Ų983 Ų836%0.05542%0.422CS..EExtended strand (participates in β ladder)trans-76.4135.7170.7-168.40000109.2F17 Q29 L31 L42F17-V27 HydrophobicContact CD1-CG2 4.03Å; F17-V27 HydrophobicContact CE1-CG2 3.83Å; V27-Q29 PolarHBondContact O-N 2.96Å; V27-L31 HydrophobicContact CG1-CD1 4.08Å; V27-L42 HydrophobicContact CG2-CB 3.65Å
28S83.3Confident81Confident48 Ų4886.6 Ų86.634%0.33644%0.439SS..  trans-56.9132.4171.6-174.30000111.1I16 D30I16-S28 PolarHBondContact O-N 3.46Å; S28-D30 PolarHBondContact O-N 3.47Å
29Q65.9Low81Confident175 Ų17585.5 Ų85.582%0.81843%0.432SS*.SBendtrans-75-10.1-169.8-65.1-173.90.300114V27V27-Q29 PolarHBondContact O-N 2.96Å
30D67.4Low81Confident141 Ų14186.2 Ų86.275%0.75445%0.447SS*.  trans-115.749.8-170.5-62-41.3000113.3S28 P32S28-D30 PolarHBondContact O-N 3.47Å; D30-P32 WeakPolarHBondContact O-CD 3.36Å
31L77.3Confident81.1Confident38 Ų3885 Ų8520%0.19944%0.443CS..  trans-101.3103.9175.4-64.6175.6000110.9I16 V27 F33 L34I16-L31 HydrophobicContact CG2-CD1 4.02Å; V27-L31 HydrophobicContact CG1-CD1 4.08Å; L31-F33 HydrophobicContact CB-CE1 4.15Å; L31-F33 HydrophobicContact CB-CZ 4.18Å; L31-F33 HydrophobicContact CD1-CZ 4.19Å; L31-F33 HydrophobicContact CD2-CE1 3.78Å; L31-F33 HydrophobicContact CD2-CZ 3.87Å; L31-F33 HydrophobicContact CG-CE1 4.44Å; L31-F33 HydrophobicContact CG-CZ 4.3Å; L31-F33 PolarHBondContact O-N 3.42Å; L31-F33 VanDerWaalsContact O-N 3.12Å; L31-L34 HydrophobicContact CB-CD1 4.06Å; L31-L34 HydrophobicContact CB-CG 4.29Å; L31-L34 HydrophobicContact CD1-CD1 3.64Å; L31-L34 PolarHBondContact O-N 3.19Å
32P77.1Confident81.8Confident129 Ų12976.1 Ų76.184%0.83840%0.404SS*.THydrogen-bonded Turntrans-70.8-10.2-172.328.5-35.7000114.2D30D30-P32 WeakPolarHBondContact O-CD 3.36Å
33F82Confident82.4Confident126 Ų12668.3 Ų68.355%0.55338%0.379SS*.THydrogen-bonded Turntrans-100.82-176.759.9-96.8000113.9M1 L31M1-F33 HydrophobicContact SD-CE2 4.08Å; L31-F33 HydrophobicContact CB-CE1 4.15Å; L31-F33 HydrophobicContact CB-CZ 4.18Å; L31-F33 HydrophobicContact CD1-CZ 4.19Å; L31-F33 HydrophobicContact CD2-CE1 3.78Å; L31-F33 HydrophobicContact CD2-CZ 3.87Å; L31-F33 HydrophobicContact CG-CE1 4.44Å; L31-F33 HydrophobicContact CG-CZ 4.3Å; L31-F33 PolarHBondContact O-N 3.42Å; L31-F33 VanDerWaalsContact O-N 3.12Å
34L83.2Confident83.1Confident22 Ų2270.8 Ų70.812%0.11538%0.38CS..SBendtrans-108.1134179.5-69.3179.9000112.1M1 L31 E38 L42M1-L34 HydrophobicContact CE-CD2 3.9Å; M1-L34 HydrophobicContact SD-CD1 3.98Å; M1-L34 HydrophobicContact SD-CD2 3.65Å; M1-L34 HydrophobicContact SD-CG 4.29Å; L31-L34 HydrophobicContact CB-CD1 4.06Å; L31-L34 HydrophobicContact CB-CG 4.29Å; L31-L34 HydrophobicContact CD1-CD1 3.64Å; L31-L34 PolarHBondContact O-N 3.19Å; L34-E38 HydrophobicContact CD2-CB 4.43Å; L34-L42 HydrophobicContact CD1-CD1 3.73Å
35H85.4Confident83.3Confident118 Ų11870.7 Ų70.755%0.54638%0.379SS..  trans-73.6145.3171.4-168.9-95.9000110.2S37 E38 T39H35-S37 PolarHBondContact ND1-N 3.34Å; H35-S37 PolarHBondContact ND1-OG 3.27Å; H35-S37 PolarHBondContact O-N 3.1Å; H35-E38 HydrophobicContact CB-CG 4.19Å; H35-E38 WeakPolarHBondContact CB-OE2 3.37Å; H35-E38 PolarHBondContact N-OE2 3.35Å; H35-E38 WeakPolarHBondContact O-CB 3.46Å; H35-E38 PolarHBondContact O-N 3.13Å; H35-T39 PolarHBondContact O-N 3.43Å; H35-T39 VanDerWaalsContact O-N 3.13Å; H35-T39 PolarHBondContact O-OG1 2.87Å
36P84.4Confident83.4Confident99 Ų9970.4 Ų70.464%0.64338%0.378SS*.Hα-helixtrans-52.8-30.2179.4-30.536.2000115.1S40P36-S40 PolarHBondContact O-N 2.86Å; P36-S40 VanDerWaalsContact O-N 3.12Å
37S83.9Confident83.6Confident67 Ų6773.8 Ų73.847%0.46939%0.391SS..Hα-helixtrans-70-36.9174.860.20000113.1H35 S40 V41H35-S37 PolarHBondContact ND1-N 3.34Å; H35-S37 PolarHBondContact ND1-OG 3.27Å; H35-S37 PolarHBondContact O-N 3.1Å; S37-S40 WeakPolarHBondContact O-CB 3.44Å; S37-S40 PolarHBondContact O-N 2.89Å; S37-V41 WeakPolarHBondContact O-CG2 3.39Å; S37-V41 PolarHBondContact O-N 3.31Å; S37-V41 VanDerWaalsContact O-N 3.11Å
38E85.1Confident83.8Confident76 Ų7673.5 Ų73.536%0.35539%0.39SS..Hα-helixtrans-68.7-41.3176.9-62.7174.1133.500109.9L34 H35 S40 V41 L42 I119L34-E38 HydrophobicContact CD2-CB 4.43Å; H35-E38 HydrophobicContact CB-CG 4.19Å; H35-E38 WeakPolarHBondContact CB-OE2 3.37Å; H35-E38 PolarHBondContact N-OE2 3.35Å; H35-E38 WeakPolarHBondContact O-CB 3.46Å; H35-E38 PolarHBondContact O-N 3.13Å; E38-S40 VanDerWaalsContact C-N 3.26Å; E38-S40 PolarHBondContact O-N 3.39Å; E38-V41 PolarHBondContact O-N 3.19Å; E38-L42 WeakPolarHBondContact O-CB 3.49Å; E38-L42 VanDerWaalsContact O-CG 3.28Å; E38-L42 WeakPolarHBondContact O-CG 3.09Å; E38-L42 PolarHBondContact O-N 3.16Å; E38-I119 HydrophobicContact CB-CD1 4.31Å
39T86.2Confident84.1Confident40 Ų4071.2 Ų71.225%0.24537%0.374CS..Hα-helixtrans-58.5-38.3172.3-54.40000111.8H35 L42 N43H35-T39 PolarHBondContact O-N 3.43Å; H35-T39 VanDerWaalsContact O-N 3.13Å; H35-T39 PolarHBondContact O-OG1 2.87Å; T39-L42 PolarHBondContact O-N 3.19Å; T39-N43 WeakPolarHBondContact O-CB 3.43Å; T39-N43 PolarHBondContact O-N 2.95Å; T39-N43 PolarHBondContact O-ND2 3.03Å; T39-N43 VanDerWaalsContact O-ND2 3.07Å
40S87.4Confident85.3Confident81 Ų8163.2 Ų63.257%0.56634%0.337SS*.Hα-helixtrans-64.7-44.3175.2-171.60000112.6P36 S37 E38 N43 R44P36-S40 PolarHBondContact O-N 2.86Å; P36-S40 VanDerWaalsContact O-N 3.12Å; S37-S40 WeakPolarHBondContact O-CB 3.44Å; S37-S40 PolarHBondContact O-N 2.89Å; E38-S40 VanDerWaalsContact C-N 3.26Å; E38-S40 PolarHBondContact O-N 3.39Å; S40-N43 PolarHBondContact O-N 2.83Å; S40-R44 PolarHBondContact O-N 3.4Å
41V87.8Confident86.5Confident48 Ų4857.6 Ų57.629%0.29131%0.307SS..Hα-helixtrans-65-43.2176175.10000111.1S37 E38 N43 R44 L45 I119 N123S37-V41 WeakPolarHBondContact O-CG2 3.39Å; S37-V41 PolarHBondContact O-N 3.31Å; S37-V41 VanDerWaalsContact O-N 3.11Å; E38-V41 PolarHBondContact O-N 3.19Å; V41-N43 VanDerWaalsContact C-N 3.33Å; V41-N43 PolarHBondContact O-N 3.22Å; V41-R44 WeakPolarHBondContact O-CB 3.27Å; V41-R44 PolarHBondContact O-N 2.9Å; V41-R44 VanDerWaalsContact O-N 3.12Å; V41-L45 HydrophobicContact CG1-CD1 4.38Å; V41-L45 PolarHBondContact O-N 3.45Å; V41-I119 HydrophobicContact CG1-CG2 3.89Å; V41-N123 HydrophobicContact CG1-CB 3.96Å
42L88.4Confident87.3Confident0 Ų056.9 Ų56.90%030%0.302CS..Hα-helixtrans-61.9-40.2175.9-70172.7000111.6M1 L5 F17 V27 L34 E38 T39 R44 L45 C46 I119M1-L42 HydrophobicContact SD-CD1 4.2Å; L5-L42 HydrophobicContact CD1-CD2 3.98Å; L5-L42 HydrophobicContact CD2-CD2 3.74Å; L5-L42 HydrophobicContact CG-CD2 4.42Å; F17-L42 HydrophobicContact CE1-CB 4.49Å; F17-L42 HydrophobicContact CE1-CD2 4.32Å; F17-L42 HydrophobicContact CZ-CD2 4.19Å; V27-L42 HydrophobicContact CG2-CB 3.65Å; L34-L42 HydrophobicContact CD1-CD1 3.73Å; E38-L42 WeakPolarHBondContact O-CB 3.49Å; E38-L42 VanDerWaalsContact O-CG 3.28Å; E38-L42 WeakPolarHBondContact O-CG 3.09Å; E38-L42 PolarHBondContact O-N 3.16Å; T39-L42 PolarHBondContact O-N 3.19Å; L42-R44 VanDerWaalsContact C-N 3.33Å; L42-R44 PolarHBondContact O-N 3.3Å; L42-L45 PolarHBondContact O-N 3Å; L42-C46 WeakPolarHBondContact O-CB 3.48Å; L42-C46 PolarHBondContact O-N 3.03Å; L42-C46 PolarHBondContact O-SG 3.13Å; L42-I119 HydrophobicContact CD1-CD1 4.27Å; L42-I119 HydrophobicContact CD2-CD1 4.12Å; L42-I119 HydrophobicContact CD2-CG1 4.38Å; L42-I119 HydrophobicContact CD2-CG2 3.94Å; L42-I119 HydrophobicContact CG-CD1 4.23Å; L42-I119 HydrophobicContact CG-CG2 4.44Å
43N87.8Confident87.9Confident61 Ų6151.5 Ų51.533%0.32627%0.266SS..Hα-helixtrans-64.6-35.6173.5-79.2-41.4000112.5T39 S40 V41 C46 K47T39-N43 WeakPolarHBondContact O-CB 3.43Å; T39-N43 PolarHBondContact O-N 2.95Å; T39-N43 PolarHBondContact O-ND2 3.03Å; T39-N43 VanDerWaalsContact O-ND2 3.07Å; S40-N43 PolarHBondContact O-N 2.83Å; V41-N43 VanDerWaalsContact C-N 3.33Å; V41-N43 PolarHBondContact O-N 3.22Å; N43-C46 PolarHBondContact O-N 3.12Å; N43-K47 WeakPolarHBondContact O-CG 3.41Å; N43-K47 PolarHBondContact O-N 2.8Å; N43-K47 VanDerWaalsContact O-N 3.15Å
44R88.2Confident88.4Confident126 Ų12649 Ų4948%0.47525%0.253SS..Hα-helixtrans-64.2-41.9172.7-178174.9172.4-175.7-12.9111.5S40 V41 L42 K47 D127S40-R44 PolarHBondContact O-N 3.4Å; V41-R44 WeakPolarHBondContact O-CB 3.27Å; V41-R44 PolarHBondContact O-N 2.9Å; V41-R44 VanDerWaalsContact O-N 3.12Å; L42-R44 VanDerWaalsContact C-N 3.33Å; L42-R44 PolarHBondContact O-N 3.3Å; R44-K47 WeakPolarHBondContact O-CB 3.48Å; R44-K47 PolarHBondContact O-N 3.26Å; R44-D127 IonicContact NH2-OD1 3.08Å; R44-D127 PolarHBondContact NH2-OD1 3.45Å; R44-D127 VanDerWaalsContact NH2-OD1 3.08Å
45L89.8Confident88.8Confident0 Ų048 Ų480%025%0.247CC..Hα-helixtrans-67.3-37.4174-70.1173.4000112.4L5 L9 V41 L42 K47 L48 G49 I119 V122 N123 L126L5-L45 HydrophobicContact CD1-CB 4.34Å; L5-L45 HydrophobicContact CD1-CD1 4.43Å; L5-L45 HydrophobicContact CD2-CD1 4.05Å; L9-L45 HydrophobicContact CD2-CB 4.36Å; L9-L45 VanDerWaalsContact CD2-O 3.25Å; L9-L45 WeakPolarHBondContact CD2-O 3.46Å; V41-L45 HydrophobicContact CG1-CD1 4.38Å; V41-L45 PolarHBondContact O-N 3.45Å; L42-L45 PolarHBondContact O-N 3Å; L45-K47 VanDerWaalsContact C-N 3.27Å; L45-K47 PolarHBondContact O-N 3.04Å; L45-L48 VanDerWaalsContact O-CB 3.29Å; L45-L48 WeakPolarHBondContact O-CB 3.46Å; L45-L48 PolarHBondContact O-N 3.24Å; L45-G49 PolarHBondContact O-N 2.92Å; L45-G49 VanDerWaalsContact O-N 3.1Å; L45-I119 HydrophobicContact CD1-CG2 4.26Å; L45-V122 HydrophobicContact CD1-CG1 4.28Å; L45-N123 HydrophobicContact CD1-CB 4.39Å; L45-L126 HydrophobicContact CD2-CB 4.41Å; L45-L126 HydrophobicContact CD2-CD1 4.14Å
46C89.3Confident89.1Confident1 Ų143.9 Ų43.91%0.00723%0.231CC..Hα-helixtrans-62.7-33.4176.1-700000112.5F17 L25 L42 N43 L48 G49 S50F17-C46 VanDerWaalsContact CD1-SG 3.53Å; L25-C46 HydrophobicContact CB-CB 3.99Å; L25-C46 HydrophobicContact CD2-CB 3.97Å; L25-C46 HydrophobicContact CG-CB 4Å; L25-C46 VanDerWaalsContact O-CB 3.32Å; L25-C46 WeakPolarHBondContact O-CB 3.47Å; L42-C46 WeakPolarHBondContact O-CB 3.48Å; L42-C46 PolarHBondContact O-N 3.03Å; L42-C46 PolarHBondContact O-SG 3.13Å; N43-C46 PolarHBondContact O-N 3.12Å; C46-L48 VanDerWaalsContact C-N 3.31Å; C46-L48 PolarHBondContact O-N 3.1Å; C46-G49 PolarHBondContact O-N 3.45Å; C46-S50 WeakPolarHBondContact O-CB 3.41Å; C46-S50 PolarHBondContact O-N 3.33Å; C46-S50 PolarHBondContact O-OG 3.33Å
47K89.6Confident89.4Confident144 Ų14443.9 Ų43.963%0.62622%0.222SC*.Hα-helixtrans-60.1-42.8172-70.3177-178.9-177.60111.6N43 R44 L45 S50 D51N43-K47 WeakPolarHBondContact O-CG 3.41Å; N43-K47 PolarHBondContact O-N 2.8Å; N43-K47 VanDerWaalsContact O-N 3.15Å; R44-K47 WeakPolarHBondContact O-CB 3.48Å; R44-K47 PolarHBondContact O-N 3.26Å; L45-K47 VanDerWaalsContact C-N 3.27Å; L45-K47 PolarHBondContact O-N 3.04Å; K47-S50 WeakPolarHBondContact O-CB 3.31Å; K47-S50 PolarHBondContact O-N 3.01Å; K47-S50 VanDerWaalsContact O-N 3.11Å; K47-D51 PolarHBondContact O-N 3.25Å
48L90.6Very high89.7Confident4 Ų440.7 Ų40.72%0.02120%0.199CC..Hα-helixtrans-61.3-46.4176.5-171.371.9000111.8L45 C46 S50 D51 Y52 Y100 L126 F129 Q130 F133L45-L48 VanDerWaalsContact O-CB 3.29Å; L45-L48 WeakPolarHBondContact O-CB 3.46Å; L45-L48 PolarHBondContact O-N 3.24Å; C46-L48 VanDerWaalsContact C-N 3.31Å; C46-L48 PolarHBondContact O-N 3.1Å; L48-S50 VanDerWaalsContact C-N 3.25Å; L48-S50 PolarHBondContact O-N 3.3Å; L48-D51 PolarHBondContact O-N 2.94Å; L48-Y52 PolarHBondContact O-N 3.2Å; L48-Y100 HydrophobicContact CD2-CD2 4.48Å; L48-Y100 HydrophobicContact CD2-CE2 3.68Å; L48-Y100 HydrophobicContact CG-CE2 4.11Å; L48-L126 HydrophobicContact CD2-CB 4.03Å; L48-L126 HydrophobicContact CD2-CD1 4.31Å; L48-F129 HydrophobicContact CD1-CB 3.82Å; L48-F129 HydrophobicContact CD2-CB 4.23Å; L48-Q130 HydrophobicContact CD1-CG 4.38Å; L48-Q130 HydrophobicContact CD2-CG 4.34Å; L48-F133 HydrophobicContact CD1-CB 4.01Å; L48-F133 HydrophobicContact CD1-CD2 3.25Å; L48-F133 HydrophobicContact CD1-CE2 3.74Å; L48-F133 HydrophobicContact CD1-CG 3.69Å; L48-F133 HydrophobicContact CG-CD2 3.99Å; L48-F133 HydrophobicContact CG-CE2 4.13Å
49G89.7Confident90Very high0 Ų037.9 Ų37.90%019%0.187CC..Hα-helixtrans-62.3-32.8173.900000112.8L45 C46 Y52 I53L45-G49 PolarHBondContact O-N 2.92Å; L45-G49 VanDerWaalsContact O-N 3.1Å; C46-G49 PolarHBondContact O-N 3.45Å; G49-Y52 PolarHBondContact O-N 3.2Å; G49-I53 WeakPolarHBondContact O-CG1 3.33Å; G49-I53 PolarHBondContact O-N 3.32Å
50S91.8Very high90.2Very high7 Ų742.1 Ų42.15%0.04920%0.204CC..Hα-helixtrans-67.8-43.6176.4-54.10000112.7L25 C46 K47 L48 Y52 I53 R54L25-S50 WeakPolarHBondContact CB-OG 3.49Å; L25-S50 PolarHBondContact N-OG 3.44Å; C46-S50 WeakPolarHBondContact O-CB 3.41Å; C46-S50 PolarHBondContact O-N 3.33Å; C46-S50 PolarHBondContact O-OG 3.33Å; K47-S50 WeakPolarHBondContact O-CB 3.31Å; K47-S50 PolarHBondContact O-N 3.01Å; K47-S50 VanDerWaalsContact O-N 3.11Å; L48-S50 VanDerWaalsContact C-N 3.25Å; L48-S50 PolarHBondContact O-N 3.3Å; S50-Y52 VanDerWaalsContact C-N 3.31Å; S50-I53 PolarHBondContact O-N 3.25Å; S50-R54 WeakPolarHBondContact O-CG 3.25Å; S50-R54 PolarHBondContact O-N 3.08Å; S50-R54 VanDerWaalsContact O-N 3.07Å
51D91.6Very high90.2Very high22 Ų2243.8 Ų43.812%0.11820%0.203CC..Hα-helixtrans-64.3-39.6175.2-66.9-23.4000110.4K47 L48 R54 F55 F133K47-D51 PolarHBondContact O-N 3.25Å; L48-D51 PolarHBondContact O-N 2.94Å; D51-R54 PolarHBondContact O-N 3.21Å; D51-F55 HydrophobicContact CB-CE2 4.16Å; D51-F55 WeakPolarHBondContact O-CD2 3.32Å; D51-F55 VanDerWaalsContact O-CG 3.29Å; D51-F55 WeakPolarHBondContact O-CG 3.11Å; D51-F55 PolarHBondContact O-N 2.9Å; D51-F133 HydrophobicContact CB-CB 4.12Å; D51-F133 HydrophobicContact CB-CD2 4.11Å
52Y93.4Very high90.2Very high23 Ų2342.3 Ų42.39%0.0919%0.192CC..Hα-helixtrans-60.1-46.2174.7-178.4-103.4000113.4S10 L48 G49 S50 R54 F55 T56 L97 Y100 R101S10-Y52 WeakPolarHBondContact O-CE1 3.43Å; L48-Y52 PolarHBondContact O-N 3.2Å; G49-Y52 PolarHBondContact O-N 3.2Å; S50-Y52 VanDerWaalsContact C-N 3.31Å; Y52-R54 VanDerWaalsContact C-N 3.34Å; Y52-R54 PolarHBondContact O-N 3.35Å; Y52-F55 PolarHBondContact O-N 2.9Å; Y52-T56 PolarHBondContact O-N 2.95Å; Y52-T56 PolarHBondContact O-OG1 2.84Å; Y52-L97 HydrophobicContact CD2-CD1 4.33Å; Y52-L97 HydrophobicContact CD2-CD2 4.18Å; Y52-L97 HydrophobicContact CE2-CB 4.4Å; Y52-L97 HydrophobicContact CE2-CD1 4.12Å; Y52-L97 HydrophobicContact CE2-CD2 4.5Å; Y52-Y100 HydrophobicContact CD1-CE1 4.23Å; Y52-Y100 AromaticContact CD2-CD1 3.54Å; Y52-Y100 HydrophobicContact CD2-CD1 3.54Å; Y52-Y100 AromaticContact CD2-CE1 3.4Å; Y52-Y100 HydrophobicContact CD2-CE1 3.4Å; Y52-Y100 VanDerWaalsContact CD2-CE1 3.4Å; Y52-Y100 AromaticContact CE2-CD1 3.73Å; Y52-Y100 HydrophobicContact CE2-CD1 3.73Å; Y52-Y100 AromaticContact CE2-CE1 3.83Å; Y52-Y100 HydrophobicContact CE2-CE1 3.83Å; Y52-Y100 HydrophobicContact CG-CD1 4.26Å; Y52-Y100 AromaticContact CG-CE1 3.63Å; Y52-Y100 HydrophobicContact CG-CE1 3.63Å; Y52-R101 HydrophobicContact CE2-CG 4.34Å; Y52-R101 PolarHBondContact OH-NE 3.43Å
53I91.1Very high89.8Confident16 Ų1644.6 Ų44.68%0.08221%0.207CC..Hα-helixtrans-59.8-46.6175.5-68.4163.6000109.8W19 G49 S50 F55 T56 E57W19-I53 HydrophobicContact CD2-CD1 4.17Å; W19-I53 HydrophobicContact CE3-CD1 3.62Å; W19-I53 HydrophobicContact CH2-CB 3.85Å; W19-I53 HydrophobicContact CH2-CD1 4.02Å; W19-I53 HydrophobicContact CH2-CG2 3.69Å; W19-I53 HydrophobicContact CZ2-CB 4.29Å; W19-I53 HydrophobicContact CZ2-CG2 3.6Å; W19-I53 HydrophobicContact CZ3-CB 4.23Å; W19-I53 HydrophobicContact CZ3-CD1 3.56Å; W19-I53 HydrophobicContact CZ3-CG1 4.49Å; W19-I53 HydrophobicContact CZ3-CG2 4.36Å; G49-I53 WeakPolarHBondContact O-CG1 3.33Å; G49-I53 PolarHBondContact O-N 3.32Å; S50-I53 PolarHBondContact O-N 3.25Å; I53-F55 VanDerWaalsContact C-N 3.34Å; I53-F55 PolarHBondContact O-N 2.98Å; I53-T56 PolarHBondContact O-N 3.19Å; I53-T56 VanDerWaalsContact O-N 3.17Å; I53-E57 HydrophobicContact CG2-CG 4.2Å; I53-E57 WeakPolarHBondContact O-CB 3.24Å; I53-E57 WeakPolarHBondContact O-CG 3.34Å; I53-E57 PolarHBondContact O-N 3.16Å
54R90.9Very high88.6Confident75 Ų7544.3 Ų44.328%0.28322%0.218SC..Hα-helixtrans-62.6-37.6178.9-72175.5-177.6179.90.2113.2S50 D51 Y52 F58 I137S50-R54 WeakPolarHBondContact O-CG 3.25Å; S50-R54 PolarHBondContact O-N 3.08Å; S50-R54 VanDerWaalsContact O-N 3.07Å; D51-R54 PolarHBondContact O-N 3.21Å; Y52-R54 VanDerWaalsContact C-N 3.34Å; Y52-R54 PolarHBondContact O-N 3.35Å; R54-F58 VanDerWaalsContact O-CB 3.28Å; R54-F58 WeakPolarHBondContact O-CB 3.43Å; R54-F58 PolarHBondContact O-N 2.86Å; R54-I137 HydrophobicContact CB-CD1 4.07Å
55F93.1Very high87.1Confident0 Ų043.5 Ų43.50%022%0.22CC..Hα-helixtrans-65.2-44.2173.8-67.1-46.3000111.4D51 Y52 I53 F58 I59 L93 L97 F133 V136 I137 V140D51-F55 HydrophobicContact CB-CE2 4.16Å; D51-F55 WeakPolarHBondContact O-CD2 3.32Å; D51-F55 VanDerWaalsContact O-CG 3.29Å; D51-F55 WeakPolarHBondContact O-CG 3.11Å; D51-F55 PolarHBondContact O-N 2.9Å; Y52-F55 PolarHBondContact O-N 2.9Å; I53-F55 VanDerWaalsContact C-N 3.34Å; I53-F55 PolarHBondContact O-N 2.98Å; F55-F58 PolarHBondContact O-N 2.86Å; F55-I59 VanDerWaalsContact O-CG1 3.27Å; F55-I59 WeakPolarHBondContact O-CG1 3.33Å; F55-I59 PolarHBondContact O-N 3.44Å; F55-L93 HydrophobicContact CB-CD2 4.28Å; F55-L93 HydrophobicContact CD1-CD1 4.02Å; F55-L93 HydrophobicContact CD1-CD2 3.87Å; F55-L93 HydrophobicContact CD1-CG 4.42Å; F55-L93 HydrophobicContact CE1-CD1 4.2Å; F55-L93 HydrophobicContact CG-CD1 4.43Å; F55-L93 HydrophobicContact CG-CD2 4.38Å; F55-L97 HydrophobicContact CB-CD1 3.88Å; F55-L97 HydrophobicContact CD2-CD2 3.82Å; F55-L97 HydrophobicContact CE2-CD2 4.44Å; F55-L97 HydrophobicContact CG-CD2 4.47Å; F55-F133 HydrophobicContact CD2-CD2 4.47Å; F55-F133 HydrophobicContact CE2-CB 4Å; F55-F133 HydrophobicContact CE2-CD1 4.2Å; F55-F133 AromaticContact CE2-CD2 3.97Å; F55-F133 HydrophobicContact CE2-CD2 3.97Å; F55-F133 AromaticContact CE2-CG 3.8Å; F55-F133 HydrophobicContact CE2-CG 3.8Å; F55-F133 HydrophobicContact CZ-CB 4.49Å; F55-V136 HydrophobicContact CE1-CB 4.37Å; F55-V136 HydrophobicContact CE1-CG1 3.98Å; F55-V136 HydrophobicContact CZ-CB 4.02Å; F55-V136 HydrophobicContact CZ-CG1 4.08Å; F55-I137 HydrophobicContact CD1-CD1 3.85Å; F55-I137 HydrophobicContact CE1-CB 3.99Å; F55-I137 HydrophobicContact CE1-CD1 3.47Å; F55-I137 VanDerWaalsContact CE1-CD1 3.47Å; F55-I137 HydrophobicContact CE1-CG1 4.34Å; F55-I137 HydrophobicContact CZ-CB 3.89Å; F55-I137 HydrophobicContact CZ-CD1 3.98Å; F55-V140 HydrophobicContact CD1-CG2 4.11Å; F55-V140 HydrophobicContact CE1-CG2 3.91Å
56T91.3Very high85Confident32 Ų3248 Ų4820%0.19625%0.247CC..Hα-helixtrans-64.8-47.2-180-52.60000111Y52 I53 F58 I59 E60Y52-T56 PolarHBondContact O-N 2.95Å; Y52-T56 PolarHBondContact O-OG1 2.84Å; I53-T56 PolarHBondContact O-N 3.19Å; I53-T56 VanDerWaalsContact O-N 3.17Å; T56-F58 VanDerWaalsContact C-N 3.26Å; T56-F58 PolarHBondContact O-N 3.46Å; T56-I59 PolarHBondContact O-N 2.74Å; T56-I59 VanDerWaalsContact O-N 3.17Å; T56-E60 HydrophobicContact CG2-CG 4.44Å; T56-E60 WeakPolarHBondContact O-CB 3.45Å; T56-E60 WeakPolarHBondContact O-CG 3.47Å; T56-E60 PolarHBondContact O-N 2.94Å
57E90Very high82.7Confident98 Ų9856.4 Ų56.446%0.45829%0.286SS..Hα-helixtrans-55.6-42.3173.1-73.8177.9169.300111.5I53 Q61I53-E57 HydrophobicContact CG2-CG 4.2Å; I53-E57 WeakPolarHBondContact O-CB 3.24Å; I53-E57 WeakPolarHBondContact O-CG 3.34Å; I53-E57 PolarHBondContact O-N 3.16Å; E57-Q61 VanDerWaalsContact O-CB 3.31Å; E57-Q61 WeakPolarHBondContact O-CB 3.46Å; E57-Q61 PolarHBondContact O-N 3.32Å; E57-Q61 VanDerWaalsContact O-N 3.09Å
58F90.8Very high80.2Confident0 Ų057.6 Ų57.60%029%0.293CS..Hα-helixtrans-67.9-40.8178.2-178-107.1000113R54 F55 T56 H62 L81 L86 F89 L93 V140 K144R54-F58 VanDerWaalsContact O-CB 3.28Å; R54-F58 WeakPolarHBondContact O-CB 3.43Å; R54-F58 PolarHBondContact O-N 2.86Å; F55-F58 PolarHBondContact O-N 2.86Å; T56-F58 VanDerWaalsContact C-N 3.26Å; T56-F58 PolarHBondContact O-N 3.46Å; F58-H62 AromaticContact CD2-CE1 3.4Å; F58-H62 VanDerWaalsContact CD2-CE1 3.4Å; F58-H62 WeakPolarHBondContact CD2-CE1 3.46Å; F58-H62 AromaticContact CD2-ND1 3.51Å; F58-H62 AromaticContact CE2-CE1 3.31Å; F58-H62 WeakPolarHBondContact CE2-CE1 3.36Å; F58-H62 AromaticContact CE2-ND1 3.53Å; F58-H62 PolarHBondContact O-N 3.1Å; F58-H62 PolarHBondContact O-ND1 2.91Å; F58-L81 HydrophobicContact CE2-CD1 4.4Å; F58-L86 HydrophobicContact CZ-CD1 3.87Å; F58-F89 AromaticContact CE1-CD1 3.89Å; F58-F89 HydrophobicContact CE1-CD1 3.89Å; F58-F89 AromaticContact CE1-CE1 3.73Å; F58-F89 HydrophobicContact CE1-CE1 3.73Å; F58-F89 HydrophobicContact CZ-CE1 4.45Å; F58-L93 HydrophobicContact CD1-CD2 4.06Å; F58-V140 HydrophobicContact CB-CG1 4.49Å; F58-V140 HydrophobicContact CD1-CG1 3.98Å; F58-V140 HydrophobicContact CD2-CG1 4.09Å; F58-V140 HydrophobicContact CE1-CG1 4.17Å; F58-V140 HydrophobicContact CE2-CG1 4.24Å; F58-V140 HydrophobicContact CG-CG1 3.91Å; F58-V140 HydrophobicContact CZ-CG1 4.26Å; F58-K144 HydrophobicContact CD2-CD 4.37Å; F58-K144 HydrophobicContact CD2-CG 4.47Å; F58-K144 HydrophobicContact CE2-CD 4.42Å; F58-K144 HydrophobicContact CE2-CG 4.03Å
59I91.8Very high77.7Confident17 Ų1763.4 Ų63.49%0.08732%0.321CS..Hα-helixtrans-64.6-49.8177.1-69.4161.3000109.8F55 T56 Q61 H62 T63 C90 L93 D94 L97F55-I59 VanDerWaalsContact O-CG1 3.27Å; F55-I59 WeakPolarHBondContact O-CG1 3.33Å; F55-I59 PolarHBondContact O-N 3.44Å; T56-I59 PolarHBondContact O-N 2.74Å; T56-I59 VanDerWaalsContact O-N 3.17Å; I59-Q61 VanDerWaalsContact C-N 3.32Å; I59-Q61 PolarHBondContact O-N 3.05Å; I59-H62 PolarHBondContact O-N 3.26Å; I59-T63 HydrophobicContact CG2-CG2 4.1Å; I59-T63 WeakPolarHBondContact O-CB 3.44Å; I59-T63 WeakPolarHBondContact O-CG2 3.26Å; I59-T63 PolarHBondContact O-N 3.37Å; I59-T63 PolarHBondContact O-OG1 3.02Å; I59-C90 HydrophobicContact CG1-CB 4.32Å; I59-L93 HydrophobicContact CD1-CB 4.42Å; I59-L93 HydrophobicContact CD1-CD2 4.12Å; I59-L93 HydrophobicContact CD1-CG 4.08Å; I59-L93 HydrophobicContact CG1-CD2 3.99Å; I59-L93 HydrophobicContact CG1-CG 4.39Å; I59-D94 HydrophobicContact CD1-CB 3.99Å; I59-L97 HydrophobicContact CD1-CD1 3.9Å
60E89.4Confident75.2Confident129 Ų12972.2 Ų72.260%0.60336%0.362SS*.Hα-helixtrans-59.2-43-178.7-72.8177.217800111.8T56 H62 G64T56-E60 HydrophobicContact CG2-CG 4.44Å; T56-E60 WeakPolarHBondContact O-CB 3.45Å; T56-E60 WeakPolarHBondContact O-CG 3.47Å; T56-E60 PolarHBondContact O-N 2.94Å; E60-H62 VanDerWaalsContact C-N 3.29Å; E60-H62 PolarHBondContact O-N 3.26Å; E60-G64 PolarHBondContact O-N 2.95Å; E60-G64 VanDerWaalsContact O-N 3.13Å
61Q88.8Confident72.4Confident116 Ų11679.5 Ų79.554%0.54240%0.395SS..Hα-helixtrans-59.9-35.7179.6-176177.9900113.2E57 I59 H65E57-Q61 VanDerWaalsContact O-CB 3.31Å; E57-Q61 WeakPolarHBondContact O-CB 3.46Å; E57-Q61 PolarHBondContact O-N 3.32Å; E57-Q61 VanDerWaalsContact O-N 3.09Å; I59-Q61 VanDerWaalsContact C-N 3.32Å; I59-Q61 PolarHBondContact O-N 3.05Å; Q61-H65 PolarHBondContact O-CD2 2.91Å
62H86Confident69.6Low17 Ų1787.3 Ų87.38%0.07943%0.43CS..Hα-helixtrans-108.1-10.7-171.3-56.792.5000114F58 I59 E60 L81 L86 R87F58-H62 AromaticContact CD2-CE1 3.4Å; F58-H62 VanDerWaalsContact CD2-CE1 3.4Å; F58-H62 WeakPolarHBondContact CD2-CE1 3.46Å; F58-H62 AromaticContact CD2-ND1 3.51Å; F58-H62 AromaticContact CE2-CE1 3.31Å; F58-H62 WeakPolarHBondContact CE2-CE1 3.36Å; F58-H62 AromaticContact CE2-ND1 3.53Å; F58-H62 PolarHBondContact O-N 3.1Å; F58-H62 PolarHBondContact O-ND1 2.91Å; I59-H62 PolarHBondContact O-N 3.26Å; E60-H62 VanDerWaalsContact C-N 3.29Å; E60-H62 PolarHBondContact O-N 3.26Å; H62-L81 PolarHBondContact CD2-O 3.26Å; H62-L86 HydrophobicContact CB-CD2 4.12Å; H62-L86 HydrophobicContact CB-CG 4.21Å; H62-L86 WeakPolarHBondContact CD2-CD2 3.44Å; H62-R87 WeakPolarHBondContact O-CG 3.25Å
63T81.8Confident66.8Low48 Ų4892.2 Ų92.229%0.29446%0.463SS..Hα-helixtrans-102.3-24.7175.158.60000113.7I59 H65 C90I59-T63 HydrophobicContact CG2-CG2 4.1Å; I59-T63 WeakPolarHBondContact O-CB 3.44Å; I59-T63 WeakPolarHBondContact O-CG2 3.26Å; I59-T63 PolarHBondContact O-N 3.37Å; I59-T63 PolarHBondContact O-OG1 3.02Å; T63-H65 PolarHBondContact O-N 3.27Å; T63-C90 HydrophobicContact CG2-CB 3.63Å
64G61.1Low64.1Low56 Ų5699 Ų9958%0.57750%0.499SS*.G310 helixtrans-74.3-13.2-17400000117E60 V66E60-G64 PolarHBondContact O-N 2.95Å; E60-G64 VanDerWaalsContact O-N 3.13Å; G64-V66 PolarHBondContact O-N 3.06Å
65H56.7Low61.2Low109 Ų109104.1 Ų104.151%0.50553%0.526SS..G310 helixtrans-74.112.3-174.7-83.1-68.3000115.9Q61 T63 H67Q61-H65 PolarHBondContact O-CD2 2.91Å; T63-H65 PolarHBondContact O-N 3.27Å; H65-H67 PolarHBondContact O-N 3.08Å
66V45.8Very low58.7Low93 Ų93110.1 Ų110.156%0.56457%0.565SS**G310 helixtrans-75.1-19.9-173.6176.70000113.9G64G64-V66 PolarHBondContact O-N 3.06Å
67H41.5Very low56.1Low178 Ų178115 Ų11582%0.82459%0.59SS**G310 helixtrans-100.42.2-171-76.278.5000116.9H65H65-H67 PolarHBondContact O-N 3.08Å
68Q37.7Very low53.9Low169 Ų169116.3 Ų116.379%0.7960%0.596SS**SBendtrans-118.3-0.6-179.1-84.1-177.2-5.900115.6
69Q38Very low51.8Low127 Ų127122.1 Ų122.159%0.59363%0.632SS**SBendtrans-96.42.3-174.2-98.7177.7-15.800116H71Q69-H71 VanDerWaalsContact C-N 3.35Å
70E35.8Very low50.5Low185 Ų185123.5 Ų123.586%0.86465%0.651SS**SBendtrans-81.8-12.3172.6-75.3-168.4158.700113.8
71H34Very low49.9Very low160 Ų160119.4 Ų119.474%0.74163%0.632SS**SBendtrans-139.585.6173.8-69.6-40000110Q69Q69-H71 VanDerWaalsContact C-N 3.35Å
72H33.5Very low49.6Very low185 Ų185117.6 Ų117.686%0.85662%0.624SS**  trans177.9119.4133.6-88.3-56000110.8
73T32.8Very low49.7Very low127 Ų127117.1 Ų117.178%0.77962%0.624SS**  trans-55.2139.7167.146.10000112.9
74N35.4Very low50.1Low157 Ų157118 Ų11884%0.8463%0.626SS**  trans48.688.6153.3-67.1-5.7000118
75Q30.8Very low51.7Low183 Ų183115.3 Ų115.386%0.85560%0.599SS**  trans-130.9121.2142.9-78.9-167.7-1.200109.8N77Q75-N77 VanDerWaalsContact C-N 3.35Å; Q75-N77 PolarHBondContact O-N 3.24Å
76P40.6Very low53.4Low126 Ų126110.3 Ų110.382%0.81858%0.576SS**  trans-93.551.9-174.738.2-34.6000111.8
77N35.2Very low55.6Low135 Ų135110 Ų11072%0.72256%0.564SS**  trans-158.358.5178.4-103-17.9000113.9Q75 T79Q75-N77 VanDerWaalsContact C-N 3.35Å; Q75-N77 PolarHBondContact O-N 3.24Å; N77-T79 PolarHBondContact O-N 3.29Å
78Q43.6Very low58.1Low125 Ų125102 Ų10258%0.58453%0.528SS*.  trans-87.986.7156.4-74.7-171.77.200108.6G80Q78-G80 PolarHBondContact O-N 2.79Å
79T48.2Very low60.8Low122 Ų12293.9 Ų93.975%0.74849%0.491SS*.  trans-72.733.1177.554.70000113.2N77N77-T79 PolarHBondContact O-N 3.29Å
80G64.1Low63.5Low47 Ų4787.9 Ų87.949%0.48546%0.462SS..SBendtrans-121.5163.7-178.200000112Q78 H82Q78-G80 PolarHBondContact O-N 2.79Å; G80-H82 PolarHBondContact O-N 3.28Å; G80-H82 PolarHBondContact O-ND1 3.2Å
81L77.2Confident66.3Low42 Ų4282.9 Ų82.922%0.2245%0.445CS..  trans-58.5122.6171.4-70.6171.8000109.4F58 H62 L86 I143 K144 K147F58-L81 HydrophobicContact CE2-CD1 4.4Å; H62-L81 PolarHBondContact CD2-O 3.26Å; L81-L86 HydrophobicContact CB-CD2 3.61Å; L81-I143 HydrophobicContact CD1-CG2 4.36Å; L81-K144 HydrophobicContact CD1-CG 4.22Å; L81-K147 HydrophobicContact CD2-CB 4.44Å
82H81.9Confident69.2Low78 Ų7875.4 Ų75.436%0.36141%0.411SS..  trans-146.3164.3178.264.5-79.3000109.2G80 H149G80-H82 PolarHBondContact O-N 3.28Å; G80-H82 PolarHBondContact O-ND1 3.2Å; H82-H149 PolarHBondContact O-CE1 2.83Å; H82-H149 PolarHBondContact O-ND1 3.07Å
83G87.7Confident72.1Confident8 Ų866.6 Ų66.68%0.08237%0.37CS..SBendtrans133.4160.1176.800000114.6R87 E202G83-R87 WeakPolarHBondContact O-CG 3.36Å; G83-R87 PolarHBondContact O-N 3.24Å; G83-E202 WeakPolarHBondContact CA-OE1 3.48Å; G83-E202 WeakPolarHBondContact CA-OE2 3.46Å
84I91.4Very high75Confident66 Ų6663.4 Ų63.434%0.33835%0.348SS..Hα-helixtrans-72-30.3179.561.8174000112R87 A88 V182 Q186 E202I84-R87 PolarHBondContact O-N 2.94Å; I84-A88 PolarHBondContact O-N 3.23Å; I84-A88 VanDerWaalsContact O-N 3.07Å; I84-V182 HydrophobicContact CB-CG1 4.32Å; I84-V182 HydrophobicContact CD1-CG1 3.41Å; I84-V182 VanDerWaalsContact CD1-CG1 3.41Å; I84-V182 HydrophobicContact CG1-CG1 3.72Å; I84-Q186 HydrophobicContact CD1-CG 4.45Å; I84-E202 WeakPolarHBondContact CG1-OE2 3.27Å; I84-E202 VanDerWaalsContact N-CD 3.34Å; I84-E202 PolarHBondContact N-OE1 2.95Å; I84-E202 VanDerWaalsContact N-OE1 3.07Å; I84-E202 PolarHBondContact N-OE2 3.38Å
85Y93.6Very high77.8Confident0 Ų059.6 Ų59.60%033%0.334CS..Hα-helixtrans-71.4-36.6176.5-76-84.2000111.9A88 F89 C151 L154 V182 M183 Q186 E202Y85-A88 PolarHBondContact O-N 3.5Å; Y85-F89 WeakPolarHBondContact O-CB 3.4Å; Y85-F89 PolarHBondContact O-N 3.42Å; Y85-C151 VanDerWaalsContact CZ-SG 3.57Å; Y85-C151 PolarHBondContact OH-SG 3.24Å; Y85-L154 HydrophobicContact CD1-CD1 4.28Å; Y85-L154 HydrophobicContact CD1-CD2 4.15Å; Y85-L154 HydrophobicContact CD1-CG 4.08Å; Y85-L154 HydrophobicContact CE1-CD1 3.77Å; Y85-L154 HydrophobicContact CE1-CD2 4.23Å; Y85-L154 HydrophobicContact CE1-CG 4.08Å; Y85-V182 HydrophobicContact CD1-CB 4.32Å; Y85-V182 HydrophobicContact CD1-CG1 4.38Å; Y85-V182 HydrophobicContact CD2-CG1 4.43Å; Y85-V182 HydrophobicContact CE1-CB 4.02Å; Y85-V182 HydrophobicContact CE1-CG1 4.06Å; Y85-V182 HydrophobicContact CE2-CG1 4.14Å; Y85-M183 HydrophobicContact CE1-CB 4.23Å; Y85-M183 VanDerWaalsContact OH-CA 3.28Å; Y85-M183 WeakPolarHBondContact OH-CA 3.32Å; Y85-Q186 VanDerWaalsContact CE2-OE1 3.29Å; Y85-Q186 PolarHBondContact OH-OE1 3.25Å; Y85-E202 HydrophobicContact CD2-CB 3.78Å; Y85-E202 HydrophobicContact CD2-CG 4.4Å; Y85-E202 WeakPolarHBondContact CD2-OE1 3.29Å; Y85-E202 HydrophobicContact CE2-CB 3.96Å; Y85-E202 PolarHBondContact N-OE1 3.41Å; Y85-E202 VanDerWaalsContact N-OE1 3.12Å
86L92.8Very high80.7Confident4 Ų451.7 Ų51.72%0.02130%0.297CS..Hα-helixtrans-64.3-42.6174.9-176.363.9000111.6F58 H62 L81 A88 F89 C90 I143 I153F58-L86 HydrophobicContact CZ-CD1 3.87Å; H62-L86 HydrophobicContact CB-CD2 4.12Å; H62-L86 HydrophobicContact CB-CG 4.21Å; H62-L86 WeakPolarHBondContact CD2-CD2 3.44Å; L81-L86 HydrophobicContact CB-CD2 3.61Å; L86-A88 VanDerWaalsContact C-N 3.35Å; L86-A88 PolarHBondContact O-N 3.36Å; L86-F89 WeakPolarHBondContact O-CB 3.34Å; L86-F89 PolarHBondContact O-N 2.94Å; L86-C90 PolarHBondContact O-N 3.01Å; L86-C90 PolarHBondContact O-SG 3.36Å; L86-C90 VanDerWaalsContact O-SG 3.33Å; L86-I143 HydrophobicContact CD1-CG2 4.27Å; L86-I153 HydrophobicContact CB-CD1 3.95Å; L86-I153 HydrophobicContact CD1-CD1 4.2Å
87R92.1Very high83.3Confident87 Ų8745.7 Ų45.733%0.32826%0.258SS..Hα-helixtrans-62-42.2174.8-71.5175.3-178.8175.74.1112H62 G83 I84 F89 C90 T91H62-R87 WeakPolarHBondContact O-CG 3.25Å; G83-R87 WeakPolarHBondContact O-CG 3.36Å; G83-R87 PolarHBondContact O-N 3.24Å; I84-R87 PolarHBondContact O-N 2.94Å; R87-F89 VanDerWaalsContact C-N 3.34Å; R87-C90 PolarHBondContact O-N 3.23Å; R87-T91 PolarHBondContact O-N 3.28Å; R87-T91 PolarHBondContact O-OG1 2.94Å
88A93.5Very high86Confident8 Ų844.1 Ų44.17%0.06625%0.246CC..Hα-helixtrans-64.4-39.5175.400000111.9I84 Y85 L86 T91 G92 V178 V182I84-A88 PolarHBondContact O-N 3.23Å; I84-A88 VanDerWaalsContact O-N 3.07Å; Y85-A88 PolarHBondContact O-N 3.5Å; L86-A88 VanDerWaalsContact C-N 3.35Å; L86-A88 PolarHBondContact O-N 3.36Å; A88-T91 WeakPolarHBondContact O-CB 3.36Å; A88-T91 PolarHBondContact O-N 3.47Å; A88-G92 PolarHBondContact O-N 3.35Å; A88-V178 HydrophobicContact CB-CG1 4.38Å; A88-V178 WeakPolarHBondContact O-CG1 3.31Å; A88-V182 HydrophobicContact CB-CG2 3.48Å; A88-V182 VanDerWaalsContact CB-CG2 3.48Å
89F95.4Very high88.4Confident0 Ų041.7 Ų41.70%024%0.242CC..Hα-helixtrans-61.1-46.2173.3176.1-96000111.7F58 Y85 L86 R87 T91 G92 L93 V139 V140 I143 I153 V157 I175 C179F58-F89 AromaticContact CE1-CD1 3.89Å; F58-F89 HydrophobicContact CE1-CD1 3.89Å; F58-F89 AromaticContact CE1-CE1 3.73Å; F58-F89 HydrophobicContact CE1-CE1 3.73Å; F58-F89 HydrophobicContact CZ-CE1 4.45Å; Y85-F89 WeakPolarHBondContact O-CB 3.4Å; Y85-F89 PolarHBondContact O-N 3.42Å; L86-F89 WeakPolarHBondContact O-CB 3.34Å; L86-F89 PolarHBondContact O-N 2.94Å; R87-F89 VanDerWaalsContact C-N 3.34Å; F89-T91 VanDerWaalsContact C-N 3.29Å; F89-T91 PolarHBondContact O-N 2.98Å; F89-G92 PolarHBondContact O-N 2.98Å; F89-L93 HydrophobicContact CE1-CD2 4.44Å; F89-L93 WeakPolarHBondContact O-CB 3.48Å; F89-L93 PolarHBondContact O-N 3.19Å; F89-V139 HydrophobicContact CE2-CG1 4.19Å; F89-V139 HydrophobicContact CZ-CG1 4.19Å; F89-V140 HydrophobicContact CE1-CG2 4.06Å; F89-V140 HydrophobicContact CZ-CG2 4.1Å; F89-I143 HydrophobicContact CD1-CD1 4.14Å; F89-I143 HydrophobicContact CD2-CD1 4.28Å; F89-I143 HydrophobicContact CE1-CD1 3.78Å; F89-I143 HydrophobicContact CE2-CD1 3.94Å; F89-I143 HydrophobicContact CG-CD1 4.38Å; F89-I143 HydrophobicContact CZ-CD1 3.67Å; F89-I153 HydrophobicContact CB-CG2 4.09Å; F89-I153 HydrophobicContact CD2-CG2 4.21Å; F89-I153 HydrophobicContact CG-CG2 4.27Å; F89-V157 HydrophobicContact CD2-CG2 3.73Å; F89-V157 HydrophobicContact CE2-CG2 3.64Å; F89-I175 HydrophobicContact CD2-CG2 3.46Å; F89-I175 VanDerWaalsContact CD2-CG2 3.46Å; F89-I175 HydrophobicContact CE2-CG2 3.73Å; F89-I175 HydrophobicContact CG-CG2 4.42Å; F89-C179 VanDerWaalsContact CA-SG 3.59Å; F89-C179 PolarHBondContact N-SG 3.42Å
90C94.7Very high90.6Very high0 Ų035.9 Ų35.90%021%0.206CC..Hα-helixtrans-61-37.7175-67.30000112.4I59 T63 L86 R87 L93 D94I59-C90 HydrophobicContact CG1-CB 4.32Å; T63-C90 HydrophobicContact CG2-CB 3.63Å; L86-C90 PolarHBondContact O-N 3.01Å; L86-C90 PolarHBondContact O-SG 3.36Å; L86-C90 VanDerWaalsContact O-SG 3.33Å; R87-C90 PolarHBondContact O-N 3.23Å; C90-L93 PolarHBondContact O-N 3.45Å; C90-D94 WeakPolarHBondContact O-CB 3.46Å; C90-D94 PolarHBondContact O-N 3.27Å
91T94.4Very high92.1Very high80 Ų8036.3 Ų36.349%0.49119%0.193SC..Hα-helixtrans-65.5-42.9175.5-540000111.4R87 A88 F89 D94 S95 V178R87-T91 PolarHBondContact O-N 3.28Å; R87-T91 PolarHBondContact O-OG1 2.94Å; A88-T91 WeakPolarHBondContact O-CB 3.36Å; A88-T91 PolarHBondContact O-N 3.47Å; F89-T91 VanDerWaalsContact C-N 3.29Å; F89-T91 PolarHBondContact O-N 2.98Å; T91-D94 PolarHBondContact O-N 3.26Å; T91-S95 PolarHBondContact O-N 2.81Å; T91-S95 VanDerWaalsContact O-N 3.08Å; T91-V178 HydrophobicContact CG2-CG1 4.46Å
92G93.8Very high92.9Very high3 Ų338.5 Ų38.53%0.03120%0.202CC..Hα-helixtrans-63.5-41.3173.700000112.3A88 F89 S95 M96A88-G92 PolarHBondContact O-N 3.35Å; F89-G92 PolarHBondContact O-N 2.98Å; G92-S95 PolarHBondContact O-N 2.74Å; G92-M96 PolarHBondContact O-N 3.47Å
93L94.5Very high93.5Very high0 Ų035.5 Ų35.50%019%0.191CC..Hα-helixtrans-62.6-43.9176.7-17764.1000111.1F55 F58 I59 F89 C90 S95 M96 L97 V136 V140F55-L93 HydrophobicContact CB-CD2 4.28Å; F55-L93 HydrophobicContact CD1-CD1 4.02Å; F55-L93 HydrophobicContact CD1-CD2 3.87Å; F55-L93 HydrophobicContact CD1-CG 4.42Å; F55-L93 HydrophobicContact CE1-CD1 4.2Å; F55-L93 HydrophobicContact CG-CD1 4.43Å; F55-L93 HydrophobicContact CG-CD2 4.38Å; F58-L93 HydrophobicContact CD1-CD2 4.06Å; I59-L93 HydrophobicContact CD1-CB 4.42Å; I59-L93 HydrophobicContact CD1-CD2 4.12Å; I59-L93 HydrophobicContact CD1-CG 4.08Å; I59-L93 HydrophobicContact CG1-CD2 3.99Å; I59-L93 HydrophobicContact CG1-CG 4.39Å; F89-L93 HydrophobicContact CE1-CD2 4.44Å; F89-L93 WeakPolarHBondContact O-CB 3.48Å; F89-L93 PolarHBondContact O-N 3.19Å; C90-L93 PolarHBondContact O-N 3.45Å; L93-S95 VanDerWaalsContact C-N 3.34Å; L93-S95 PolarHBondContact O-N 2.71Å; L93-M96 HydrophobicContact CD1-CE 3.59Å; L93-M96 WeakPolarHBondContact O-CB 3.49Å; L93-M96 PolarHBondContact O-N 2.97Å; L93-M96 VanDerWaalsContact O-N 3.09Å; L93-L97 WeakPolarHBondContact O-CG 3.45Å; L93-L97 PolarHBondContact O-N 3.48Å; L93-L97 VanDerWaalsContact O-N 3.15Å; L93-V136 HydrophobicContact CD1-CG1 3.6Å; L93-V140 HydrophobicContact CD2-CG2 4.23Å
94D94.2Very high93.7Very high60 Ų6035.7 Ų35.732%0.32119%0.19SC..Hα-helixtrans-60.9-43.1175.9-172.351.4000112I59 C90 T91 M96 L97 Q98 R101I59-D94 HydrophobicContact CD1-CB 3.99Å; C90-D94 WeakPolarHBondContact O-CB 3.46Å; C90-D94 PolarHBondContact O-N 3.27Å; T91-D94 PolarHBondContact O-N 3.26Å; D94-M96 PolarHBondContact O-N 3.39Å; D94-L97 PolarHBondContact O-N 3.47Å; D94-L97 VanDerWaalsContact O-N 3.1Å; D94-Q98 PolarHBondContact O-N 2.79Å; D94-R101 IonicContact OD1-CZ 3.92Å; D94-R101 IonicContact OD1-NH1 3.96Å; D94-R101 PolarHBondContact OD1-NH1 2.99Å; D94-R101 IonicContact OD1-NH2 3.7Å; D94-R101 PolarHBondContact OD1-NH2 3.29Å; D94-R101 IonicContact OD2-NH1 3.1Å
95S93.2Very high93.8Very high77 Ų7736.8 Ų36.854%0.53820%0.196SC..Hα-helixtrans-62.2-31.3174.1-177.20000113T91 G92 L93 L97T91-S95 PolarHBondContact O-N 2.81Å; T91-S95 VanDerWaalsContact O-N 3.08Å; G92-S95 PolarHBondContact O-N 2.74Å; L93-S95 VanDerWaalsContact C-N 3.34Å; L93-S95 PolarHBondContact O-N 2.71Å; S95-L97 VanDerWaalsContact C-N 3.35Å
96M93.5Very high93.8Very high18 Ų1840.2 Ų40.29%0.08921%0.214CC..Hα-helixtrans-70.5-30.9175.6-175.8-79.4-64.900112.1G92 L93 D94 Q98 P99 L132 F133 V136 A171 I175G92-M96 PolarHBondContact O-N 3.47Å; L93-M96 HydrophobicContact CD1-CE 3.59Å; L93-M96 WeakPolarHBondContact O-CB 3.49Å; L93-M96 PolarHBondContact O-N 2.97Å; L93-M96 VanDerWaalsContact O-N 3.09Å; D94-M96 PolarHBondContact O-N 3.39Å; M96-Q98 VanDerWaalsContact C-N 3.32Å; M96-P99 VanDerWaalsContact O-CD 3.28Å; M96-P99 WeakPolarHBondContact O-CD 3.42Å; M96-L132 HydrophobicContact CG-CD2 4.31Å; M96-L132 HydrophobicContact SD-CD2 3.54Å; M96-L132 VanDerWaalsContact SD-CD2 3.54Å; M96-L132 HydrophobicContact SD-CG 4Å; M96-F133 HydrophobicContact CE-CE1 4.45Å; M96-F133 HydrophobicContact SD-CD1 4.5Å; M96-F133 HydrophobicContact SD-CE1 4.14Å; M96-V136 HydrophobicContact CE-CB 4.29Å; M96-V136 HydrophobicContact CE-CG1 4.01Å; M96-V136 HydrophobicContact CE-CG2 4.19Å; M96-A171 HydrophobicContact CG-CB 3.89Å; M96-I175 HydrophobicContact CB-CD1 4.4Å
97L93.3Very high93.8Very high0 Ų040.1 Ų40.10%021%0.214CC..Hα-helixtrans-77.3-16.4177.8-62.5177.2000113.3Y52 F55 I59 L93 D94 S95 Y100 R101 F133Y52-L97 HydrophobicContact CD2-CD1 4.33Å; Y52-L97 HydrophobicContact CD2-CD2 4.18Å; Y52-L97 HydrophobicContact CE2-CB 4.4Å; Y52-L97 HydrophobicContact CE2-CD1 4.12Å; Y52-L97 HydrophobicContact CE2-CD2 4.5Å; F55-L97 HydrophobicContact CB-CD1 3.88Å; F55-L97 HydrophobicContact CD2-CD2 3.82Å; F55-L97 HydrophobicContact CE2-CD2 4.44Å; F55-L97 HydrophobicContact CG-CD2 4.47Å; I59-L97 HydrophobicContact CD1-CD1 3.9Å; L93-L97 WeakPolarHBondContact O-CG 3.45Å; L93-L97 PolarHBondContact O-N 3.48Å; L93-L97 VanDerWaalsContact O-N 3.15Å; D94-L97 PolarHBondContact O-N 3.47Å; D94-L97 VanDerWaalsContact O-N 3.1Å; S95-L97 VanDerWaalsContact C-N 3.35Å; L97-Y100 WeakPolarHBondContact O-CB 3.38Å; L97-Y100 PolarHBondContact O-N 2.95Å; L97-R101 PolarHBondContact O-N 2.79Å; L97-F133 HydrophobicContact CD2-CE1 3.98Å; L97-F133 HydrophobicContact CD2-CE2 4.41Å; L97-F133 HydrophobicContact CD2-CZ 3.73Å
98Q93.8Very high93.8Very high101 Ų10140 Ų4047%0.47222%0.217SC..Hα-helixtrans-58.6-43.7-176.3-167.263.213.200114.4D94 M96 Y100 R101 Q102D94-Q98 PolarHBondContact O-N 2.79Å; M96-Q98 VanDerWaalsContact C-N 3.32Å; Q98-Y100 VanDerWaalsContact C-N 3.27Å; Q98-Y100 PolarHBondContact O-N 3.24Å; Q98-R101 PolarHBondContact O-N 3.33Å; Q98-Q102 PolarHBondContact O-N 2.81Å
99P94Very high93.7Very high74 Ų7445.5 Ų45.548%0.48124%0.241SC..Hα-helixtrans-62.9-30.4173.6-22.735.4000113.7M96 A103 F129M96-P99 VanDerWaalsContact O-CD 3.28Å; M96-P99 WeakPolarHBondContact O-CD 3.42Å; P99-A103 WeakPolarHBondContact O-CB 3.42Å; P99-A103 PolarHBondContact O-N 2.94Å; P99-F129 HydrophobicContact CB-CE1 4.27Å; P99-F129 HydrophobicContact CB-CZ 4.28Å
100Y94.2Very high93.5Very high0 Ų048.6 Ų48.60%026%0.256CS..Hα-helixtrans-69.3-45.7175171.5-103.1000111L9 L48 Y52 L97 Q98 Q102 A103 L104 L126 F129 F133L9-Y100 PolarHBondContact O-OH 3.3Å; L48-Y100 HydrophobicContact CD2-CD2 4.48Å; L48-Y100 HydrophobicContact CD2-CE2 3.68Å; L48-Y100 HydrophobicContact CG-CE2 4.11Å; Y52-Y100 HydrophobicContact CD1-CE1 4.23Å; Y52-Y100 AromaticContact CD2-CD1 3.54Å; Y52-Y100 HydrophobicContact CD2-CD1 3.54Å; Y52-Y100 AromaticContact CD2-CE1 3.4Å; Y52-Y100 HydrophobicContact CD2-CE1 3.4Å; Y52-Y100 VanDerWaalsContact CD2-CE1 3.4Å; Y52-Y100 AromaticContact CE2-CD1 3.73Å; Y52-Y100 HydrophobicContact CE2-CD1 3.73Å; Y52-Y100 AromaticContact CE2-CE1 3.83Å; Y52-Y100 HydrophobicContact CE2-CE1 3.83Å; Y52-Y100 HydrophobicContact CG-CD1 4.26Å; Y52-Y100 AromaticContact CG-CE1 3.63Å; Y52-Y100 HydrophobicContact CG-CE1 3.63Å; L97-Y100 WeakPolarHBondContact O-CB 3.38Å; L97-Y100 PolarHBondContact O-N 2.95Å; Q98-Y100 VanDerWaalsContact C-N 3.27Å; Q98-Y100 PolarHBondContact O-N 3.24Å; Y100-Q102 VanDerWaalsContact C-N 3.3Å; Y100-Q102 PolarHBondContact O-N 3.36Å; Y100-A103 PolarHBondContact O-N 3.48Å; Y100-L104 HydrophobicContact CD1-CD1 4.14Å; Y100-L104 HydrophobicContact CE1-CD1 3.53Å; Y100-L104 HydrophobicContact CE1-CG 4.24Å; Y100-L104 HydrophobicContact CE2-CD1 4.45Å; Y100-L104 HydrophobicContact CE2-CD2 4.36Å; Y100-L104 HydrophobicContact CE2-CG 4.38Å; Y100-L104 WeakPolarHBondContact O-CG 3.12Å; Y100-L104 PolarHBondContact O-N 3.28Å; Y100-L126 HydrophobicContact CD2-CD2 4.2Å; Y100-L126 HydrophobicContact CE2-CD2 4.01Å; Y100-F129 VanDerWaalsContact CA-CZ 3.48Å; Y100-F129 HydrophobicContact CD2-CB 4.28Å; Y100-F129 HydrophobicContact CD2-CD1 4.35Å; Y100-F129 AromaticContact CD2-CD2 3.76Å; Y100-F129 HydrophobicContact CD2-CD2 3.76Å; Y100-F129 HydrophobicContact CD2-CE2 4.12Å; Y100-F129 AromaticContact CD2-CG 3.88Å; Y100-F129 HydrophobicContact CD2-CG 3.88Å; Y100-F133 HydrophobicContact CD1-CE2 4.28Å; Y100-F133 AromaticContact CD1-CZ 3.96Å; Y100-F133 HydrophobicContact CD1-CZ 3.96Å; Y100-F133 HydrophobicContact CD2-CE2 4.19Å; Y100-F133 AromaticContact CD2-CZ 3.85Å; Y100-F133 HydrophobicContact CD2-CZ 3.85Å; Y100-F133 HydrophobicContact CE1-CE2 4.36Å; Y100-F133 HydrophobicContact CE1-CZ 4.49Å; Y100-F133 HydrophobicContact CE2-CE2 4.28Å; Y100-F133 HydrophobicContact CE2-CZ 4.4Å; Y100-F133 HydrophobicContact CG-CE2 4.18Å; Y100-F133 AromaticContact CG-CZ 3.6Å; Y100-F133 HydrophobicContact CG-CZ 3.6Å
101R94.2Very high93.4Very high56 Ų5650.9 Ų50.921%0.21127%0.266CS..Hα-helixtrans-59.6-41.9174.3-64.4178.8-171131.5-1.1111.6Y52 D94 L97 Q98 L104 L105Y52-R101 HydrophobicContact CE2-CG 4.34Å; Y52-R101 PolarHBondContact OH-NE 3.43Å; D94-R101 IonicContact OD1-CZ 3.92Å; D94-R101 IonicContact OD1-NH1 3.96Å; D94-R101 PolarHBondContact OD1-NH1 2.99Å; D94-R101 IonicContact OD1-NH2 3.7Å; D94-R101 PolarHBondContact OD1-NH2 3.29Å; D94-R101 IonicContact OD2-NH1 3.1Å; L97-R101 PolarHBondContact O-N 2.79Å; Q98-R101 PolarHBondContact O-N 3.33Å; R101-L104 PolarHBondContact O-N 3.05Å; R101-L105 WeakPolarHBondContact O-CG 3.42Å; R101-L105 PolarHBondContact O-N 3.35Å; R101-L105 VanDerWaalsContact O-N 3.07Å
102Q94.9Very high93.2Very high89 Ų8952.9 Ų52.942%0.41627%0.273SS..Hα-helixtrans-62.4-43.9175.4-172.460.145.900111.9Q98 Y100 L104 L105 D106Q98-Q102 PolarHBondContact O-N 2.81Å; Y100-Q102 VanDerWaalsContact C-N 3.3Å; Y100-Q102 PolarHBondContact O-N 3.36Å; Q102-L104 VanDerWaalsContact C-N 3.26Å; Q102-L104 PolarHBondContact O-N 3.49Å; Q102-L105 PolarHBondContact O-N 3.45Å; Q102-L105 VanDerWaalsContact O-N 3.16Å; Q102-D106 PolarHBondContact NE2-OD1 2.95Å; Q102-D106 PolarHBondContact O-N 3.24Å
103A93.4Very high93Very high15 Ų1556 Ų5612%0.12431%0.305CS..Hα-helixtrans-61.9-33.917700000112.7P99 Y100 L107 L126 F129P99-A103 WeakPolarHBondContact O-CB 3.42Å; P99-A103 PolarHBondContact O-N 2.94Å; Y100-A103 PolarHBondContact O-N 3.48Å; A103-L107 WeakPolarHBondContact O-CB 3.27Å; A103-L107 VanDerWaalsContact O-CG 3.28Å; A103-L107 WeakPolarHBondContact O-CG 3.44Å; A103-L107 PolarHBondContact O-N 3.38Å; A103-L126 HydrophobicContact CB-CD2 4.31Å; A103-F129 HydrophobicContact CB-CE2 3.88Å; A103-F129 HydrophobicContact CB-CZ 4.32Å
104L92.7Very high92.8Very high12 Ų1259.7 Ų59.76%0.06333%0.325CS..Hα-helixtrans-68.2-41.2173.8-67.1-179.4000112.3L6 L9 Y100 R101 Q102 L107 E108 L126L6-L104 HydrophobicContact CD2-CD2 4.44Å; L9-L104 HydrophobicContact CB-CD2 3.98Å; L9-L104 HydrophobicContact CD1-CD2 4.32Å; Y100-L104 HydrophobicContact CD1-CD1 4.14Å; Y100-L104 HydrophobicContact CE1-CD1 3.53Å; Y100-L104 HydrophobicContact CE1-CG 4.24Å; Y100-L104 HydrophobicContact CE2-CD1 4.45Å; Y100-L104 HydrophobicContact CE2-CD2 4.36Å; Y100-L104 HydrophobicContact CE2-CG 4.38Å; Y100-L104 WeakPolarHBondContact O-CG 3.12Å; Y100-L104 PolarHBondContact O-N 3.28Å; R101-L104 PolarHBondContact O-N 3.05Å; Q102-L104 VanDerWaalsContact C-N 3.26Å; Q102-L104 PolarHBondContact O-N 3.49Å; L104-L107 PolarHBondContact O-N 3.37Å; L104-E108 PolarHBondContact O-N 3.39Å; L104-L126 HydrophobicContact CD2-CD1 4.39Å; L104-L126 HydrophobicContact CD2-CD2 4.34Å
105L93.3Very high92.4Very high88 Ų8861.3 Ų61.346%0.46134%0.339SS..Hα-helixtrans-63.7-42.3174.8-67.3172.3000111.5R101 Q102 L107 E108 Q109R101-L105 WeakPolarHBondContact O-CG 3.42Å; R101-L105 PolarHBondContact O-N 3.35Å; R101-L105 VanDerWaalsContact O-N 3.07Å; Q102-L105 PolarHBondContact O-N 3.45Å; Q102-L105 VanDerWaalsContact O-N 3.16Å; L105-L107 VanDerWaalsContact C-N 3.33Å; L105-L107 PolarHBondContact O-N 2.82Å; L105-E108 WeakPolarHBondContact O-CB 3.28Å; L105-E108 PolarHBondContact O-N 3.07Å; L105-Q109 WeakPolarHBondContact O-CG 3.5Å; L105-Q109 PolarHBondContact O-N 3.11Å
106D93.8Very high92.1Very high73 Ų7365.1 Ų65.139%0.3935%0.348SS..Hα-helixtrans-62.3-42177-63.2-16.1000110.8Q102 Q109 E110Q102-D106 PolarHBondContact NE2-OD1 2.95Å; Q102-D106 PolarHBondContact O-N 3.24Å; D106-Q109 PolarHBondContact O-N 2.77Å; D106-E110 WeakPolarHBondContact O-CB 3.47Å; D106-E110 WeakPolarHBondContact O-CG 3.25Å; D106-E110 PolarHBondContact O-N 2.88Å
107L92.3Very high91.9Very high1 Ų165.3 Ų65.31%0.00535%0.349CS..Hα-helixtrans-65.1-35.6174.7-77.4170.5000113L6 A103 L104 L105 E110 F111 L117 V122 K125 L126L6-L107 HydrophobicContact CD2-CB 3.99Å; L6-L107 HydrophobicContact CD2-CD1 4.24Å; A103-L107 WeakPolarHBondContact O-CB 3.27Å; A103-L107 VanDerWaalsContact O-CG 3.28Å; A103-L107 WeakPolarHBondContact O-CG 3.44Å; A103-L107 PolarHBondContact O-N 3.38Å; L104-L107 PolarHBondContact O-N 3.37Å; L105-L107 VanDerWaalsContact C-N 3.33Å; L105-L107 PolarHBondContact O-N 2.82Å; L107-E110 PolarHBondContact O-N 2.78Å; L107-F111 WeakPolarHBondContact O-CB 3.3Å; L107-F111 PolarHBondContact O-N 2.95Å; L107-L117 HydrophobicContact CD2-CD2 4.45Å; L107-V122 HydrophobicContact CD1-CG1 4.21Å; L107-V122 HydrophobicContact CD2-CG2 4.31Å; L107-K125 HydrophobicContact CD1-CB 4.36Å; L107-K125 HydrophobicContact CD2-CB 4.09Å; L107-K125 HydrophobicContact CD2-CG 4.02Å; L107-K125 HydrophobicContact CG-CB 4.47Å; L107-L126 HydrophobicContact CD1-CD1 4.26Å; L107-L126 HydrophobicContact CD1-CD2 4.18Å; L107-L126 HydrophobicContact CD1-CG 4.1Å
108E92.1Very high91.7Very high86 Ų8669.1 Ų69.140%0.40237%0.372SS..Hα-helixtrans-65.7-43.9174.4-177.1175.8-138.400111.3L104 L105 F111 L112L104-E108 PolarHBondContact O-N 3.39Å; L105-E108 WeakPolarHBondContact O-CB 3.28Å; L105-E108 PolarHBondContact O-N 3.07Å; E108-F111 PolarHBondContact O-N 3.11Å; E108-L112 WeakPolarHBondContact O-CG 3.48Å; E108-L112 PolarHBondContact O-N 3.2Å
109Q92.1Very high91.3Very high123 Ų12365.1 Ų65.158%0.57535%0.354SS*.Hα-helixtrans-63.5-42.1174.6-66.5-59.2-42.900111.9L105 D106 F111 L112 G113L105-Q109 WeakPolarHBondContact O-CG 3.5Å; L105-Q109 PolarHBondContact O-N 3.11Å; D106-Q109 PolarHBondContact O-N 2.77Å; Q109-F111 VanDerWaalsContact C-N 3.3Å; Q109-F111 PolarHBondContact O-N 2.98Å; Q109-L112 PolarHBondContact O-N 2.86Å; Q109-G113 PolarHBondContact O-N 2.59Å
110E91.9Very high91.1Very high64 Ų6465.9 Ų65.930%0.29936%0.361SS..Hα-helixtrans-61.5-38.4174.4-74.6178.4-169.700111.4D106 L107 G113 D114 H121 K125D106-E110 WeakPolarHBondContact O-CB 3.47Å; D106-E110 WeakPolarHBondContact O-CG 3.25Å; D106-E110 PolarHBondContact O-N 2.88Å; L107-E110 PolarHBondContact O-N 2.78Å; E110-G113 PolarHBondContact O-N 3.5Å; E110-D114 PolarHBondContact O-N 3.11Å; E110-H121 IonicContact OE2-CD2 3.56Å; E110-H121 IonicContact OE2-CE1 3.75Å; E110-H121 IonicContact OE2-NE2 2.71Å; E110-H121 PolarHBondContact OE2-NE2 3.12Å; E110-K125 IonicContact OE1-NZ 2.75Å; E110-K125 PolarHBondContact OE1-NZ 3.5Å; E110-K125 IonicContact OE2-NZ 3.86Å
111F91.1Very high90.9Very high49 Ų4968.8 Ų68.822%0.21537%0.374CS..Hα-helixtrans-69-35.5176.1178.8-111.2000113.3I2 H3 L107 E108 Q109 G113 D114 L117I2-F111 HydrophobicContact CB-CD2 4.3Å; I2-F111 HydrophobicContact CB-CE2 4.09Å; I2-F111 HydrophobicContact CG2-CD2 3.93Å; I2-F111 HydrophobicContact CG2-CE2 4.23Å; I2-F111 HydrophobicContact CG2-CG 4.44Å; H3-F111 HydrophobicContact CB-CE1 4.13Å; H3-F111 HydrophobicContact CB-CZ 4.43Å; L107-F111 WeakPolarHBondContact O-CB 3.3Å; L107-F111 PolarHBondContact O-N 2.95Å; E108-F111 PolarHBondContact O-N 3.11Å; Q109-F111 VanDerWaalsContact C-N 3.3Å; Q109-F111 PolarHBondContact O-N 2.98Å; F111-G113 VanDerWaalsContact C-N 3.31Å; F111-D114 CarbonylContact O-C 3.55Å; F111-D114 VanDerWaalsContact O-C 3.31Å; F111-L117 HydrophobicContact CB-CD2 4.16Å; F111-L117 HydrophobicContact CD2-CB 4.17Å
112L91Very high90.7Very high121 Ų12166.1 Ų66.163%0.63436%0.364SS*.Hα-helixtrans-67.7-32.6173.3-70.3175.9000112.1E108 Q109E108-L112 WeakPolarHBondContact O-CG 3.48Å; E108-L112 PolarHBondContact O-N 3.2Å; Q109-L112 PolarHBondContact O-N 2.86Å
113G89.6Confident90.5Very high69 Ų6963.3 Ų63.371%0.71135%0.352SS*.Hα-helixtrans-78.5-36.3175.900000114.1Q109 E110 F111Q109-G113 PolarHBondContact O-N 2.59Å; E110-G113 PolarHBondContact O-N 3.5Å; F111-G113 VanDerWaalsContact C-N 3.31Å
114D89.9Confident90.4Very high78 Ų7871 Ų7142%0.41738%0.379SS..  trans-133.5101.1177.3-175.33.7000111.7E110 F111 H116 L117E110-D114 PolarHBondContact O-N 3.11Å; F111-D114 CarbonylContact O-C 3.55Å; F111-D114 VanDerWaalsContact O-C 3.31Å; D114-H116 PolarHBondContact O-N 3.15Å; D114-H116 VanDerWaalsContact O-N 3.07Å; D114-H116 WeakPolarHBondContact OD1-CB 3.5Å; D114-H116 IonicContact OD1-CD2 3.91Å; D114-H116 PolarHBondContact OD1-N 3.25Å; D114-L117 PolarHBondContact O-N 3.09Å
115P86.4Confident90.2Very high94 Ų9474.1 Ų74.161%0.6139%0.393SS*.THydrogen-bonded Turntrans-63.1-11.8176.4-23.834.8000114.8
116H87Confident90.1Very high157 Ų15770 Ų7073%0.72737%0.371SS*.THydrogen-bonded Turntrans-93.916179.7-62.2-64.4000113.9D114 T118D114-H116 PolarHBondContact O-N 3.15Å; D114-H116 VanDerWaalsContact O-N 3.07Å; D114-H116 WeakPolarHBondContact OD1-CB 3.5Å; D114-H116 IonicContact OD1-CD2 3.91Å; D114-H116 PolarHBondContact OD1-N 3.25Å; H116-T118 PolarHBondContact O-N 2.87Å
117L89.3Confident89.9Confident21 Ų2170.2 Ų70.211%0.1137%0.372CS..  trans-51128.1176.6-161.567.9000112.4I2 L107 F111 D114 H121 V122I2-L117 WeakPolarHBondContact CG1-O 3.43Å; I2-L117 HydrophobicContact CG2-CD2 4.35Å; L107-L117 HydrophobicContact CD2-CD2 4.45Å; F111-L117 HydrophobicContact CB-CD2 4.16Å; F111-L117 HydrophobicContact CD2-CB 4.17Å; D114-L117 PolarHBondContact O-N 3.09Å; L117-H121 HydrophobicContact CD1-CB 4.35Å; L117-H121 WeakPolarHBondContact CD1-CD2 3.34Å; L117-V122 HydrophobicContact CD2-CG2 4.12Å
118T88.4Confident89.6Confident81 Ų8176.1 Ų76.150%0.49740%0.4SS..  trans-91.2152.6-176.365.70000112.5H116 S120 H121 V122H116-T118 PolarHBondContact O-N 2.87Å; T118-S120 PolarHBondContact O-N 3.31Å; T118-H121 WeakPolarHBondContact O-CB 3.35Å; T118-H121 PolarHBondContact O-N 3.33Å; T118-H121 VanDerWaalsContact O-N 3.15Å; T118-H121 PolarHBondContact OG1-N 2.78Å; T118-V122 PolarHBondContact O-N 3.02Å
119I86.6Confident89.5Confident16 Ų1672.4 Ų72.48%0.08238%0.382CS..Hα-helixtrans-58.1-36.6174.7-57167.4000110.9M1 I2 E38 V41 L42 L45 H121 V122 N123M1-I119 HydrophobicContact CE-CD1 3.61Å; M1-I119 HydrophobicContact CE-CG1 4.06Å; I2-I119 HydrophobicContact CD1-CG1 3.77Å; E38-I119 HydrophobicContact CB-CD1 4.31Å; V41-I119 HydrophobicContact CG1-CG2 3.89Å; L42-I119 HydrophobicContact CD1-CD1 4.27Å; L42-I119 HydrophobicContact CD2-CD1 4.12Å; L42-I119 HydrophobicContact CD2-CG1 4.38Å; L42-I119 HydrophobicContact CD2-CG2 3.94Å; L42-I119 HydrophobicContact CG-CD1 4.23Å; L42-I119 HydrophobicContact CG-CG2 4.44Å; L45-I119 HydrophobicContact CD1-CG2 4.26Å; I119-H121 VanDerWaalsContact C-N 3.29Å; I119-H121 PolarHBondContact O-N 2.82Å; I119-V122 PolarHBondContact O-N 3.03Å; I119-N123 WeakPolarHBondContact O-CB 3.45Å; I119-N123 PolarHBondContact O-N 2.88Å
120S88.5Confident89.3Confident91 Ų9167.8 Ų67.864%0.63636%0.361SS*.Hα-helixtrans-62-36.5179.7-62.10000112.5T118 N123 Y124T118-S120 PolarHBondContact O-N 3.31Å; S120-N123 PolarHBondContact O-N 2.77Å; S120-Y124 WeakPolarHBondContact O-CB 3.36Å; S120-Y124 PolarHBondContact O-N 2.86Å
121H90.1Very high89Confident60 Ų6068.8 Ų68.828%0.27837%0.367SS..Hα-helixtrans-67.8-44.5176-175.680.1000111.9E110 L117 T118 I119 N123 Y124 K125E110-H121 IonicContact OE2-CD2 3.56Å; E110-H121 IonicContact OE2-CE1 3.75Å; E110-H121 IonicContact OE2-NE2 2.71Å; E110-H121 PolarHBondContact OE2-NE2 3.12Å; L117-H121 HydrophobicContact CD1-CB 4.35Å; L117-H121 WeakPolarHBondContact CD1-CD2 3.34Å; T118-H121 WeakPolarHBondContact O-CB 3.35Å; T118-H121 PolarHBondContact O-N 3.33Å; T118-H121 VanDerWaalsContact O-N 3.15Å; T118-H121 PolarHBondContact OG1-N 2.78Å; I119-H121 VanDerWaalsContact C-N 3.29Å; I119-H121 PolarHBondContact O-N 2.82Å; H121-N123 VanDerWaalsContact C-N 3.31Å; H121-N123 PolarHBondContact O-N 3.5Å; H121-Y124 PolarHBondContact O-N 3.17Å; H121-K125 WeakPolarHBondContact O-CG 3.19Å; H121-K125 PolarHBondContact O-N 2.97Å
122V89.8Confident89Confident0 Ų067.3 Ų67.30%036%0.362CS..Hα-helixtrans-58.9-44.3173.3176.70000110.7L5 L9 L45 L107 L117 T118 I119 Y124 K125 L126L5-V122 HydrophobicContact CD2-CG1 4.25Å; L9-V122 HydrophobicContact CD1-CG1 4.3Å; L45-V122 HydrophobicContact CD1-CG1 4.28Å; L107-V122 HydrophobicContact CD1-CG1 4.21Å; L107-V122 HydrophobicContact CD2-CG2 4.31Å; L117-V122 HydrophobicContact CD2-CG2 4.12Å; T118-V122 PolarHBondContact O-N 3.02Å; I119-V122 PolarHBondContact O-N 3.03Å; V122-Y124 PolarHBondContact O-N 2.89Å; V122-K125 PolarHBondContact O-N 2.9Å; V122-L126 HydrophobicContact CG1-CD1 3.89Å; V122-L126 WeakPolarHBondContact O-CB 3.38Å; V122-L126 WeakPolarHBondContact O-CG 3.45Å; V122-L126 PolarHBondContact O-N 2.82Å; V122-L126 VanDerWaalsContact O-N 3.14Å
123N90.8Very high89.1Confident30 Ų3061.5 Ų61.516%0.1633%0.331CS..Hα-helixtrans-64.1-40177.9-176.573.9000112.7V41 L45 I119 S120 H121 L126 D127 Q130V41-N123 HydrophobicContact CG1-CB 3.96Å; L45-N123 HydrophobicContact CD1-CB 4.39Å; I119-N123 WeakPolarHBondContact O-CB 3.45Å; I119-N123 PolarHBondContact O-N 2.88Å; S120-N123 PolarHBondContact O-N 2.77Å; H121-N123 VanDerWaalsContact C-N 3.31Å; H121-N123 PolarHBondContact O-N 3.5Å; N123-L126 PolarHBondContact O-N 3.23Å; N123-D127 PolarHBondContact O-N 3.3Å; N123-D127 VanDerWaalsContact O-N 3.1Å; N123-Q130 PolarHBondContact OD1-NE2 2.91Å
124Y91.8Very high89.2Confident177 Ų17761 Ų6169%0.69432%0.316SS*.Hα-helixtrans-64.1-47.2176.7174.6-104.7000112.1S120 H121 V122 L126 D127S120-Y124 WeakPolarHBondContact O-CB 3.36Å; S120-Y124 PolarHBondContact O-N 2.86Å; H121-Y124 PolarHBondContact O-N 3.17Å; V122-Y124 PolarHBondContact O-N 2.89Å; Y124-L126 PolarHBondContact O-N 3.46Å; Y124-D127 WeakPolarHBondContact O-CB 3.42Å; Y124-D127 PolarHBondContact O-N 3.31Å
125K88.6Confident89.2Confident78 Ų7858.6 Ų58.634%0.33931%0.305SS..Hα-helixtrans-62.7-30.4179.2-73.2-81.1-168.7138.10113L107 E110 H121 V122L107-K125 HydrophobicContact CD1-CB 4.36Å; L107-K125 HydrophobicContact CD2-CB 4.09Å; L107-K125 HydrophobicContact CD2-CG 4.02Å; L107-K125 HydrophobicContact CG-CB 4.47Å; E110-K125 IonicContact OE1-NZ 2.75Å; E110-K125 PolarHBondContact OE1-NZ 3.5Å; E110-K125 IonicContact OE2-NZ 3.86Å; H121-K125 WeakPolarHBondContact O-CG 3.19Å; H121-K125 PolarHBondContact O-N 2.97Å; V122-K125 PolarHBondContact O-N 2.9Å
126L91.8Very high89.4Confident0 Ų054.1 Ų54.10%028%0.276CS..Hα-helixtrans-96.4-2.7-178.5-62.3177.4000114.5L9 L45 L48 Y100 A103 L104 L107 V122 N123 Y124 Q128 F129 Q130L9-L126 HydrophobicContact CD1-CD1 3.58Å; L45-L126 HydrophobicContact CD2-CB 4.41Å; L45-L126 HydrophobicContact CD2-CD1 4.14Å; L48-L126 HydrophobicContact CD2-CB 4.03Å; L48-L126 HydrophobicContact CD2-CD1 4.31Å; Y100-L126 HydrophobicContact CD2-CD2 4.2Å; Y100-L126 HydrophobicContact CE2-CD2 4.01Å; A103-L126 HydrophobicContact CB-CD2 4.31Å; L104-L126 HydrophobicContact CD2-CD1 4.39Å; L104-L126 HydrophobicContact CD2-CD2 4.34Å; L107-L126 HydrophobicContact CD1-CD1 4.26Å; L107-L126 HydrophobicContact CD1-CD2 4.18Å; L107-L126 HydrophobicContact CD1-CG 4.1Å; V122-L126 HydrophobicContact CG1-CD1 3.89Å; V122-L126 WeakPolarHBondContact O-CB 3.38Å; V122-L126 WeakPolarHBondContact O-CG 3.45Å; V122-L126 PolarHBondContact O-N 2.82Å; V122-L126 VanDerWaalsContact O-N 3.14Å; N123-L126 PolarHBondContact O-N 3.23Å; Y124-L126 PolarHBondContact O-N 3.46Å; L126-Q128 VanDerWaalsContact C-N 3.27Å; L126-Q128 PolarHBondContact O-N 3.38Å; L126-F129 HydrophobicContact CD2-CD2 3.99Å; L126-F129 HydrophobicContact CD2-CE2 4.22Å; L126-F129 PolarHBondContact O-N 2.89Å; L126-Q130 PolarHBondContact O-N 3.41Å
127D88.8Confident89.7Confident78 Ų7847.5 Ų47.542%0.41725%0.245SC..Hα-helixtrans-58.7-36.5-173.4-167.660.6000112.7R44 N123 Y124 F129 Q130R44-D127 IonicContact NH2-OD1 3.08Å; R44-D127 PolarHBondContact NH2-OD1 3.45Å; R44-D127 VanDerWaalsContact NH2-OD1 3.08Å; N123-D127 PolarHBondContact O-N 3.3Å; N123-D127 VanDerWaalsContact O-N 3.1Å; Y124-D127 WeakPolarHBondContact O-CB 3.42Å; Y124-D127 PolarHBondContact O-N 3.31Å; D127-F129 PolarHBondContact O-N 3.4Å; D127-Q130 WeakPolarHBondContact O-CB 3.19Å; D127-Q130 PolarHBondContact O-N 3.02Å; D127-Q130 VanDerWaalsContact O-N 3.1Å
128Q86.3Confident89.8Confident126 Ų12651.8 Ų51.859%0.58927%0.266SS*.Hα-helixtrans-58.9-33177.367-179.5-2.500113.6L126L126-Q128 VanDerWaalsContact C-N 3.27Å; L126-Q128 PolarHBondContact O-N 3.38Å
129F90.8Very high90Very high7 Ų747.9 Ų47.93%0.03124%0.243CC..Hα-helixtrans-82.1-21.8-178.7-57.3-69.3000112.2L48 P99 Y100 A103 L126 D127 L131 L132 F133L48-F129 HydrophobicContact CD1-CB 3.82Å; L48-F129 HydrophobicContact CD2-CB 4.23Å; P99-F129 HydrophobicContact CB-CE1 4.27Å; P99-F129 HydrophobicContact CB-CZ 4.28Å; Y100-F129 VanDerWaalsContact CA-CZ 3.48Å; Y100-F129 HydrophobicContact CD2-CB 4.28Å; Y100-F129 HydrophobicContact CD2-CD1 4.35Å; Y100-F129 AromaticContact CD2-CD2 3.76Å; Y100-F129 HydrophobicContact CD2-CD2 3.76Å; Y100-F129 HydrophobicContact CD2-CE2 4.12Å; Y100-F129 AromaticContact CD2-CG 3.88Å; Y100-F129 HydrophobicContact CD2-CG 3.88Å; A103-F129 HydrophobicContact CB-CE2 3.88Å; A103-F129 HydrophobicContact CB-CZ 4.32Å; L126-F129 HydrophobicContact CD2-CD2 3.99Å; L126-F129 HydrophobicContact CD2-CE2 4.22Å; L126-F129 PolarHBondContact O-N 2.89Å; D127-F129 PolarHBondContact O-N 3.4Å; F129-L131 PolarHBondContact O-N 3.48Å; F129-L132 HydrophobicContact CD1-CD2 4.43Å; F129-L132 PolarHBondContact O-N 2.92Å; F129-F133 HydrophobicContact CB-CD1 4.29Å; F129-F133 HydrophobicContact CB-CE1 4.11Å; F129-F133 HydrophobicContact CB-CZ 4.36Å; F129-F133 AromaticContact CD1-CE1 3.99Å; F129-F133 HydrophobicContact CD1-CE1 3.99Å; F129-F133 HydrophobicContact CD1-CZ 4.45Å; F129-F133 HydrophobicContact CG-CE1 4.42Å; F129-F133 PolarHBondContact O-N 2.83Å
130Q86.6Confident90.4Very high27 Ų2747.1 Ų47.113%0.12624%0.239CC..Hα-helixtrans-69.3-21.4179-60.3178.86.300112.5L48 N123 L126 D127 P134L48-Q130 HydrophobicContact CD1-CG 4.38Å; L48-Q130 HydrophobicContact CD2-CG 4.34Å; N123-Q130 PolarHBondContact OD1-NE2 2.91Å; L126-Q130 PolarHBondContact O-N 3.41Å; D127-Q130 WeakPolarHBondContact O-CB 3.19Å; D127-Q130 PolarHBondContact O-N 3.02Å; D127-Q130 VanDerWaalsContact O-N 3.1Å; Q130-P134 WeakPolarHBondContact O-CD 3.38Å; Q130-P134 VanDerWaalsContact O-CG 3.28Å; Q130-P134 WeakPolarHBondContact O-CG 3.26Å
131L86.3Confident90.5Very high84 Ų8446.7 Ų46.744%0.4423%0.227SC..Hα-helixtrans-87.5-36170.2-173.761.8000112.3F129 S135 L165F129-L131 PolarHBondContact O-N 3.48Å; L131-S135 PolarHBondContact O-OG 3.24Å; L131-S135 VanDerWaalsContact O-OG 3.1Å; L131-L165 HydrophobicContact CD1-CD1 3.75Å; L131-L165 HydrophobicContact CD2-CD1 4.23Å; L131-L165 HydrophobicContact CD2-CD2 4.3Å; L131-L165 HydrophobicContact CG-CD1 4.02Å
132L90.8Very high90.7Very high18 Ų1845.3 Ų45.39%0.09422%0.222CC..Hα-helixtrans-72.3-51.2-174.8-179.258.4000112.5M96 F129 S135 V136 V168 A171M96-L132 HydrophobicContact CG-CD2 4.31Å; M96-L132 HydrophobicContact SD-CD2 3.54Å; M96-L132 VanDerWaalsContact SD-CD2 3.54Å; M96-L132 HydrophobicContact SD-CG 4Å; F129-L132 HydrophobicContact CD1-CD2 4.43Å; F129-L132 PolarHBondContact O-N 2.92Å; L132-S135 PolarHBondContact O-N 2.89Å; L132-S135 VanDerWaalsContact O-N 3.15Å; L132-V136 HydrophobicContact CD1-CG2 3.96Å; L132-V136 HydrophobicContact CG-CG2 4.45Å; L132-V136 PolarHBondContact O-N 3.08Å; L132-V136 VanDerWaalsContact O-N 3.12Å; L132-V168 HydrophobicContact CD1-CB 4.41Å; L132-V168 HydrophobicContact CD1-CG2 4.17Å; L132-A171 HydrophobicContact CD1-CB 3.6Å; L132-A171 HydrophobicContact CD2-CB 4.45Å
133F92.9Very high90.8Very high0 Ų045.3 Ų45.30%022%0.222CC..Hα-helixtrans-63.3-44.1-171.2-75.317.3000112.9L48 D51 F55 M96 L97 Y100 F129 S135 V136 I137L48-F133 HydrophobicContact CD1-CB 4.01Å; L48-F133 HydrophobicContact CD1-CD2 3.25Å; L48-F133 HydrophobicContact CD1-CE2 3.74Å; L48-F133 HydrophobicContact CD1-CG 3.69Å; L48-F133 HydrophobicContact CG-CD2 3.99Å; L48-F133 HydrophobicContact CG-CE2 4.13Å; D51-F133 HydrophobicContact CB-CB 4.12Å; D51-F133 HydrophobicContact CB-CD2 4.11Å; F55-F133 HydrophobicContact CD2-CD2 4.47Å; F55-F133 HydrophobicContact CE2-CB 4Å; F55-F133 HydrophobicContact CE2-CD1 4.2Å; F55-F133 AromaticContact CE2-CD2 3.97Å; F55-F133 HydrophobicContact CE2-CD2 3.97Å; F55-F133 AromaticContact CE2-CG 3.8Å; F55-F133 HydrophobicContact CE2-CG 3.8Å; F55-F133 HydrophobicContact CZ-CB 4.49Å; M96-F133 HydrophobicContact CE-CE1 4.45Å; M96-F133 HydrophobicContact SD-CD1 4.5Å; M96-F133 HydrophobicContact SD-CE1 4.14Å; L97-F133 HydrophobicContact CD2-CE1 3.98Å; L97-F133 HydrophobicContact CD2-CE2 4.41Å; L97-F133 HydrophobicContact CD2-CZ 3.73Å; Y100-F133 HydrophobicContact CD1-CE2 4.28Å; Y100-F133 AromaticContact CD1-CZ 3.96Å; Y100-F133 HydrophobicContact CD1-CZ 3.96Å; Y100-F133 HydrophobicContact CD2-CE2 4.19Å; Y100-F133 AromaticContact CD2-CZ 3.85Å; Y100-F133 HydrophobicContact CD2-CZ 3.85Å; Y100-F133 HydrophobicContact CE1-CE2 4.36Å; Y100-F133 HydrophobicContact CE1-CZ 4.49Å; Y100-F133 HydrophobicContact CE2-CE2 4.28Å; Y100-F133 HydrophobicContact CE2-CZ 4.4Å; Y100-F133 HydrophobicContact CG-CE2 4.18Å; Y100-F133 AromaticContact CG-CZ 3.6Å; Y100-F133 HydrophobicContact CG-CZ 3.6Å; F129-F133 HydrophobicContact CB-CD1 4.29Å; F129-F133 HydrophobicContact CB-CE1 4.11Å; F129-F133 HydrophobicContact CB-CZ 4.36Å; F129-F133 AromaticContact CD1-CE1 3.99Å; F129-F133 HydrophobicContact CD1-CE1 3.99Å; F129-F133 HydrophobicContact CD1-CZ 4.45Å; F129-F133 HydrophobicContact CG-CE1 4.42Å; F129-F133 PolarHBondContact O-N 2.83Å; F133-S135 PolarHBondContact O-N 3.4Å; F133-V136 PolarHBondContact O-N 2.86Å; F133-I137 WeakPolarHBondContact O-CB 3.32Å; F133-I137 PolarHBondContact O-N 3.48Å
134P91.2Very high90.7Very high59 Ų5947 Ų4738%0.38323%0.228SC..Hα-helixtrans-62.5-30176.4-2637.1000113.5Q130 I137 M138Q130-P134 WeakPolarHBondContact O-CD 3.38Å; Q130-P134 VanDerWaalsContact O-CG 3.28Å; Q130-P134 WeakPolarHBondContact O-CG 3.26Å; P134-I137 WeakPolarHBondContact O-CG2 3.49Å; P134-M138 WeakPolarHBondContact O-CG 3.31Å; P134-M138 PolarHBondContact O-N 2.86Å
135S90.2Very high90.7Very high27 Ų2742.8 Ų42.819%0.18922%0.224CC..Hα-helixtrans-73.8-40.8178.1-56.90000111.4L131 L132 F133 V168L131-S135 PolarHBondContact O-OG 3.24Å; L131-S135 VanDerWaalsContact O-OG 3.1Å; L132-S135 PolarHBondContact O-N 2.89Å; L132-S135 VanDerWaalsContact O-N 3.15Å; F133-S135 PolarHBondContact O-N 3.4Å; S135-V168 VanDerWaalsContact CB-CG1 3.5Å
136V91.8Very high90.7Very high0 Ų045.4 Ų45.40%024%0.238CC..Hα-helixtrans-76.8-34.8179.9-1790000111.9F55 L93 M96 L132 F133 M138 V139 V140 L172F55-V136 HydrophobicContact CE1-CB 4.37Å; F55-V136 HydrophobicContact CE1-CG1 3.98Å; F55-V136 HydrophobicContact CZ-CB 4.02Å; F55-V136 HydrophobicContact CZ-CG1 4.08Å; L93-V136 HydrophobicContact CD1-CG1 3.6Å; M96-V136 HydrophobicContact CE-CB 4.29Å; M96-V136 HydrophobicContact CE-CG1 4.01Å; M96-V136 HydrophobicContact CE-CG2 4.19Å; L132-V136 HydrophobicContact CD1-CG2 3.96Å; L132-V136 HydrophobicContact CG-CG2 4.45Å; L132-V136 PolarHBondContact O-N 3.08Å; L132-V136 VanDerWaalsContact O-N 3.12Å; F133-V136 PolarHBondContact O-N 2.86Å; V136-M138 PolarHBondContact O-N 3.03Å; V136-V139 WeakPolarHBondContact O-CB 3.34Å; V136-V139 PolarHBondContact O-N 3.17Å; V136-V140 PolarHBondContact O-N 2.86Å; V136-V140 VanDerWaalsContact O-N 3.08Å; V136-L172 HydrophobicContact CG2-CD2 4.3Å
137I92.9Very high90.5Very high17 Ų1752.6 Ų52.69%0.08727%0.269CS..Hα-helixtrans-63.5-33.9176.5-160.369.1000110.9R54 F55 F133 P134 V139 V140 E141R54-I137 HydrophobicContact CB-CD1 4.07Å; F55-I137 HydrophobicContact CD1-CD1 3.85Å; F55-I137 HydrophobicContact CE1-CB 3.99Å; F55-I137 HydrophobicContact CE1-CD1 3.47Å; F55-I137 VanDerWaalsContact CE1-CD1 3.47Å; F55-I137 HydrophobicContact CE1-CG1 4.34Å; F55-I137 HydrophobicContact CZ-CB 3.89Å; F55-I137 HydrophobicContact CZ-CD1 3.98Å; F133-I137 WeakPolarHBondContact O-CB 3.32Å; F133-I137 PolarHBondContact O-N 3.48Å; P134-I137 WeakPolarHBondContact O-CG2 3.49Å; I137-V139 VanDerWaalsContact C-N 3.3Å; I137-V139 PolarHBondContact O-N 3.36Å; I137-V140 PolarHBondContact O-N 3.4Å; I137-E141 WeakPolarHBondContact O-CB 3.04Å; I137-E141 WeakPolarHBondContact O-CG 3.28Å; I137-E141 PolarHBondContact O-N 3.14Å
138M91.5Very high90.6Very high111 Ų11149.3 Ų49.355%0.54725%0.251SS..Hα-helixtrans-59.2-42.1171.7-74.8-154.7-56.800111.7P134 V136 V140 E141 T142P134-M138 WeakPolarHBondContact O-CG 3.31Å; P134-M138 PolarHBondContact O-N 2.86Å; V136-M138 PolarHBondContact O-N 3.03Å; M138-V140 PolarHBondContact O-N 3.4Å; M138-E141 PolarHBondContact O-N 3.25Å; M138-T142 WeakPolarHBondContact O-CB 3.25Å; M138-T142 PolarHBondContact O-N 2.91Å; M138-T142 PolarHBondContact O-OG1 3.04Å
139V92.9Very high90.8Very high0 Ų045.1 Ų45.10%023%0.232CC..Hα-helixtrans-62-44.5176.4-177.40000110.9F89 V136 I137 T142 I143 T156 V157 H160 L172F89-V139 HydrophobicContact CE2-CG1 4.19Å; F89-V139 HydrophobicContact CZ-CG1 4.19Å; V136-V139 WeakPolarHBondContact O-CB 3.34Å; V136-V139 PolarHBondContact O-N 3.17Å; I137-V139 VanDerWaalsContact C-N 3.3Å; I137-V139 PolarHBondContact O-N 3.36Å; V139-T142 PolarHBondContact O-N 3.28Å; V139-I143 HydrophobicContact CG1-CD1 4.04Å; V139-I143 VanDerWaalsContact O-CG1 3.31Å; V139-I143 WeakPolarHBondContact O-CG1 3.42Å; V139-I143 PolarHBondContact O-N 3.36Å; V139-T156 HydrophobicContact CG1-CG2 4.35Å; V139-V157 HydrophobicContact CG1-CG2 4.26Å; V139-H160 HydrophobicContact CG2-CB 3.75Å; V139-L172 HydrophobicContact CG2-CD2 4.17Å
140V93.4Very high90.8Very high0 Ų044.8 Ų44.80%023%0.23CC..Hα-helixtrans-62-44.4177.21760000111.3F55 F58 F89 L93 V136 I137 M138 I143 K144F55-V140 HydrophobicContact CD1-CG2 4.11Å; F55-V140 HydrophobicContact CE1-CG2 3.91Å; F58-V140 HydrophobicContact CB-CG1 4.49Å; F58-V140 HydrophobicContact CD1-CG1 3.98Å; F58-V140 HydrophobicContact CD2-CG1 4.09Å; F58-V140 HydrophobicContact CE1-CG1 4.17Å; F58-V140 HydrophobicContact CE2-CG1 4.24Å; F58-V140 HydrophobicContact CG-CG1 3.91Å; F58-V140 HydrophobicContact CZ-CG1 4.26Å; F89-V140 HydrophobicContact CE1-CG2 4.06Å; F89-V140 HydrophobicContact CZ-CG2 4.1Å; L93-V140 HydrophobicContact CD2-CG2 4.23Å; V136-V140 PolarHBondContact O-N 2.86Å; V136-V140 VanDerWaalsContact O-N 3.08Å; I137-V140 PolarHBondContact O-N 3.4Å; M138-V140 PolarHBondContact O-N 3.4Å; V140-I143 PolarHBondContact O-N 3.24Å; V140-K144 HydrophobicContact CG1-CD 4.26Å; V140-K144 WeakPolarHBondContact O-CG 3.41Å; V140-K144 PolarHBondContact O-N 3.01Å
141E91.9Very high91.1Very high82 Ų8243.5 Ų43.538%0.38322%0.224SC..Hα-helixtrans-67.2-35.4177.3-71.2-58.4151.200112.2I137 M138 K144 S145I137-E141 WeakPolarHBondContact O-CB 3.04Å; I137-E141 WeakPolarHBondContact O-CG 3.28Å; I137-E141 PolarHBondContact O-N 3.14Å; M138-E141 PolarHBondContact O-N 3.25Å; E141-K144 PolarHBondContact O-N 3.4Å; E141-S145 VanDerWaalsContact O-CB 3.23Å; E141-S145 WeakPolarHBondContact O-CB 3.16Å; E141-S145 PolarHBondContact O-N 2.94Å; E141-S145 PolarHBondContact O-OG 3.34Å
142T92.9Very high91.4Very high30 Ų3042.4 Ų42.418%0.18422%0.217CC..Hα-helixtrans-63.1-46172.2-61.80000111M138 V139 K144 S145 Q146 I148 T156M138-T142 WeakPolarHBondContact O-CB 3.25Å; M138-T142 PolarHBondContact O-N 2.91Å; M138-T142 PolarHBondContact O-OG1 3.04Å; V139-T142 PolarHBondContact O-N 3.28Å; T142-K144 VanDerWaalsContact C-N 3.33Å; T142-K144 PolarHBondContact O-N 3.38Å; T142-S145 PolarHBondContact O-OG 2.88Å; T142-Q146 WeakPolarHBondContact O-CB 3.48Å; T142-Q146 PolarHBondContact O-N 2.93Å; T142-I148 HydrophobicContact CG2-CD1 4Å; T142-T156 HydrophobicContact CG2-CG2 4.01Å
143I92.1Very high91.6Very high0 Ų041.6 Ų41.60%021%0.213CC..Hα-helixtrans-59.8-44176-68165.8000110.9L81 L86 F89 V139 V140 K147 I148 I153L81-I143 HydrophobicContact CD1-CG2 4.36Å; L86-I143 HydrophobicContact CD1-CG2 4.27Å; F89-I143 HydrophobicContact CD1-CD1 4.14Å; F89-I143 HydrophobicContact CD2-CD1 4.28Å; F89-I143 HydrophobicContact CE1-CD1 3.78Å; F89-I143 HydrophobicContact CE2-CD1 3.94Å; F89-I143 HydrophobicContact CG-CD1 4.38Å; F89-I143 HydrophobicContact CZ-CD1 3.67Å; V139-I143 HydrophobicContact CG1-CD1 4.04Å; V139-I143 VanDerWaalsContact O-CG1 3.31Å; V139-I143 WeakPolarHBondContact O-CG1 3.42Å; V139-I143 PolarHBondContact O-N 3.36Å; V140-I143 PolarHBondContact O-N 3.24Å; I143-K147 WeakPolarHBondContact O-CA 3.25Å; I143-K147 PolarHBondContact O-N 2.97Å; I143-K147 VanDerWaalsContact O-N 3.14Å; I143-I148 HydrophobicContact CG1-CD1 4.39Å; I143-I148 HydrophobicContact CG2-CB 4.49Å; I143-I148 PolarHBondContact O-N 3.26Å; I143-I148 VanDerWaalsContact O-N 3.14Å; I143-I153 HydrophobicContact CD1-CG2 4.32Å
144K89.5Confident91.7Very high66 Ų6641.7 Ų41.729%0.28721%0.213SC..Hα-helixtrans-66.9-50.4178.6-74178.2-179.3178.20113.5F58 L81 V140 E141 T142 K147F58-K144 HydrophobicContact CD2-CD 4.37Å; F58-K144 HydrophobicContact CD2-CG 4.47Å; F58-K144 HydrophobicContact CE2-CD 4.42Å; F58-K144 HydrophobicContact CE2-CG 4.03Å; L81-K144 HydrophobicContact CD1-CG 4.22Å; V140-K144 HydrophobicContact CG1-CD 4.26Å; V140-K144 WeakPolarHBondContact O-CG 3.41Å; V140-K144 PolarHBondContact O-N 3.01Å; E141-K144 PolarHBondContact O-N 3.4Å; T142-K144 VanDerWaalsContact C-N 3.33Å; T142-K144 PolarHBondContact O-N 3.38Å; K144-K147 PolarHBondContact O-N 3.42Å
145S90.8Very high91.8Very high88 Ų8840.8 Ų40.862%0.61520%0.204SC*.Hα-helixtrans-68.8-40-173.956.30000112.5E141 T142E141-S145 VanDerWaalsContact O-CB 3.23Å; E141-S145 WeakPolarHBondContact O-CB 3.16Å; E141-S145 PolarHBondContact O-N 2.94Å; E141-S145 PolarHBondContact O-OG 3.34Å; T142-S145 PolarHBondContact O-OG 2.88Å
146Q89.5Confident92Very high133 Ų13340.3 Ų40.362%0.62120%0.2SC*.Hα-helixtrans-90.1-2.5-179.2-61.9-179.3-6.200113.2T142 I148T142-Q146 WeakPolarHBondContact O-CB 3.48Å; T142-Q146 PolarHBondContact O-N 2.93Å; Q146-I148 VanDerWaalsContact C-N 3.29Å; Q146-I148 HydrophobicContact CB-CD1 4.2Å; Q146-I148 HydrophobicContact CB-CG1 3.73Å; Q146-I148 PolarHBondContact O-N 2.87Å
147K88.5Confident92.1Very high152 Ų15240.3 Ų40.366%0.66120%0.2SC*.THydrogen-bonded Turntrans50.848-176-60.9-176179-1770112.6L81 I143 K144 H149L81-K147 HydrophobicContact CD2-CB 4.44Å; I143-K147 WeakPolarHBondContact O-CA 3.25Å; I143-K147 PolarHBondContact O-N 2.97Å; I143-K147 VanDerWaalsContact O-N 3.14Å; K144-K147 PolarHBondContact O-N 3.42Å; K147-H149 PolarHBondContact O-N 2.83Å
148I90.4Very high92.1Very high8 Ų843.3 Ų43.34%0.04121%0.211CC..  trans-65.9132-174.6-54.7-171.6000110T142 I143 Q146 Q152 I153 T156T142-I148 HydrophobicContact CG2-CD1 4Å; I143-I148 HydrophobicContact CG1-CD1 4.39Å; I143-I148 HydrophobicContact CG2-CB 4.49Å; I143-I148 PolarHBondContact O-N 3.26Å; I143-I148 VanDerWaalsContact O-N 3.14Å; Q146-I148 VanDerWaalsContact C-N 3.29Å; Q146-I148 HydrophobicContact CB-CD1 4.2Å; Q146-I148 HydrophobicContact CB-CG1 3.73Å; Q146-I148 PolarHBondContact O-N 2.87Å; I148-Q152 HydrophobicContact CG2-CB 3.44Å; I148-Q152 VanDerWaalsContact CG2-CB 3.44Å; I148-I153 HydrophobicContact CG2-CG1 3.9Å; I148-T156 HydrophobicContact CD1-CG2 4.03Å; I148-T156 WeakPolarHBondContact CD1-OG1 3.47Å
149H90.6Very high92.2Very high39 Ų3943.8 Ų43.818%0.18121%0.21CC..  trans-123.8146.6-172.5-172.760.1000112.5H82 K147 Q152 S200 E202 M263H82-H149 PolarHBondContact O-CE1 2.83Å; H82-H149 PolarHBondContact O-ND1 3.07Å; K147-H149 PolarHBondContact O-N 2.83Å; H149-Q152 WeakPolarHBondContact O-CB 3.24Å; H149-Q152 PolarHBondContact O-N 2.96Å; H149-S200 PolarHBondContact NE2-O 3.08Å; H149-E202 WeakPolarHBondContact NE2-CG 3.43Å; H149-M263 HydrophobicContact CB-CE 4.38Å
150G90.9Very high92.1Very high0 Ų046.9 Ų46.90%022%0.224CC..THydrogen-bonded Turntrans54.4-135.3172.700000115.6Q152 I153G150-Q152 PolarHBondContact O-N 3.01Å; G150-Q152 VanDerWaalsContact O-N 3.13Å; G150-I153 WeakPolarHBondContact O-CB 3.44Å; G150-I153 WeakPolarHBondContact O-CG1 3.16Å; G150-I153 PolarHBondContact O-N 2.91Å
151C93.1Very high91.9Very high0 Ų047.1 Ų47.10%023%0.226CC..THydrogen-bonded Turntrans-60.5-17.5180-78.10000114.6Y85 I153 L154 E155 E202 M263 P265Y85-C151 VanDerWaalsContact CZ-SG 3.57Å; Y85-C151 PolarHBondContact OH-SG 3.24Å; C151-I153 PolarHBondContact O-N 2.95Å; C151-L154 HydrophobicContact CB-CD1 4.29Å; C151-L154 WeakPolarHBondContact O-CB 3.39Å; C151-L154 PolarHBondContact O-N 3.33Å; C151-E155 PolarHBondContact O-N 3.13Å; C151-E202 PolarHBondContact N-O 2.95Å; C151-E202 PolarHBondContact SG-O 3.25Å; C151-E202 VanDerWaalsContact SG-O 3.32Å; C151-M263 HydrophobicContact CB-CB 4.37Å; C151-M263 WeakPolarHBondContact CB-O 3.4Å; C151-P265 HydrophobicContact CB-CG 4.26Å
152Q92.8Very high91.7Very high60 Ų6047.2 Ų47.228%0.2824%0.235SC..Hα-helixtrans-64.3-26173.7-61.1176-7.700111.9I148 H149 G150 L154 E155 T156 E262 M263I148-Q152 HydrophobicContact CG2-CB 3.44Å; I148-Q152 VanDerWaalsContact CG2-CB 3.44Å; H149-Q152 WeakPolarHBondContact O-CB 3.24Å; H149-Q152 PolarHBondContact O-N 2.96Å; G150-Q152 PolarHBondContact O-N 3.01Å; G150-Q152 VanDerWaalsContact O-N 3.13Å; Q152-L154 VanDerWaalsContact C-N 3.25Å; Q152-L154 PolarHBondContact O-N 2.97Å; Q152-E155 WeakPolarHBondContact O-CB 3.32Å; Q152-E155 PolarHBondContact O-N 2.74Å; Q152-E155 VanDerWaalsContact O-N 3.13Å; Q152-T156 PolarHBondContact O-N 3.11Å; Q152-T156 PolarHBondContact O-OG1 3.33Å; Q152-E262 WeakPolarHBondContact CG-O 3.3Å; Q152-E262 PolarHBondContact NE2-O 2.89Å; Q152-M263 HydrophobicContact CG-SD 3.9Å
153I93.9Very high91.2Very high2 Ų247.6 Ų47.61%0.0125%0.245CC..Hα-helixtrans-60.6-39.8172.3-61.6175.8000110L86 F89 I143 I148 G150 C151 E155 T156 V157L86-I153 HydrophobicContact CB-CD1 3.95Å; L86-I153 HydrophobicContact CD1-CD1 4.2Å; F89-I153 HydrophobicContact CB-CG2 4.09Å; F89-I153 HydrophobicContact CD2-CG2 4.21Å; F89-I153 HydrophobicContact CG-CG2 4.27Å; I143-I153 HydrophobicContact CD1-CG2 4.32Å; I148-I153 HydrophobicContact CG2-CG1 3.9Å; G150-I153 WeakPolarHBondContact O-CB 3.44Å; G150-I153 WeakPolarHBondContact O-CG1 3.16Å; G150-I153 PolarHBondContact O-N 2.91Å; C151-I153 PolarHBondContact O-N 2.95Å; I153-E155 VanDerWaalsContact C-N 3.3Å; I153-E155 PolarHBondContact O-N 3.5Å; I153-T156 PolarHBondContact O-N 2.97Å; I153-V157 HydrophobicContact CG2-CG2 4.33Å; I153-V157 VanDerWaalsContact O-CG2 3.27Å; I153-V157 WeakPolarHBondContact O-CG2 3.23Å; I153-V157 PolarHBondContact O-N 3.32Å
154L94.8Very high90.5Very high1 Ų151.4 Ų51.41%0.00528%0.284CS..Hα-helixtrans-61.2-42.2175.4-57.3171.2000111.1Y85 C151 Q152 Y158 L176 C179 M183 P265 Y267Y85-L154 HydrophobicContact CD1-CD1 4.28Å; Y85-L154 HydrophobicContact CD1-CD2 4.15Å; Y85-L154 HydrophobicContact CD1-CG 4.08Å; Y85-L154 HydrophobicContact CE1-CD1 3.77Å; Y85-L154 HydrophobicContact CE1-CD2 4.23Å; Y85-L154 HydrophobicContact CE1-CG 4.08Å; C151-L154 HydrophobicContact CB-CD1 4.29Å; C151-L154 WeakPolarHBondContact O-CB 3.39Å; C151-L154 PolarHBondContact O-N 3.33Å; Q152-L154 VanDerWaalsContact C-N 3.25Å; Q152-L154 PolarHBondContact O-N 2.97Å; L154-Y158 WeakPolarHBondContact O-CB 3.49Å; L154-Y158 PolarHBondContact O-N 2.94Å; L154-L176 HydrophobicContact CB-CD1 4.35Å; L154-L176 HydrophobicContact CD2-CD1 4.15Å; L154-C179 HydrophobicContact CD2-CB 3.27Å; L154-M183 HydrophobicContact CD1-CB 4.38Å; L154-M183 HydrophobicContact CD1-SD 4.09Å; L154-P265 HydrophobicContact CB-CG 4.39Å; L154-P265 HydrophobicContact CD1-CG 4.06Å; L154-Y267 WeakPolarHBondContact CB-OH 3.42Å
155E93.8Very high90.5Very high40 Ų4051.9 Ų51.919%0.18729%0.289CS..Hα-helixtrans-65.2-45.8179.3-175.9176.2-16200111.8C151 Q152 I153 Y158 K159 S266C151-E155 PolarHBondContact O-N 3.13Å; Q152-E155 WeakPolarHBondContact O-CB 3.32Å; Q152-E155 PolarHBondContact O-N 2.74Å; Q152-E155 VanDerWaalsContact O-N 3.13Å; I153-E155 VanDerWaalsContact C-N 3.3Å; I153-E155 PolarHBondContact O-N 3.5Å; E155-Y158 PolarHBondContact O-N 3.43Å; E155-K159 HydrophobicContact CG-CD 4.12Å; E155-K159 HydrophobicContact CG-CG 4.43Å; E155-K159 WeakPolarHBondContact O-CB 3.29Å; E155-K159 WeakPolarHBondContact O-CG 3.24Å; E155-K159 PolarHBondContact O-N 3.37Å; E155-K159 WeakPolarHBondContact OE1-CE 3.22Å; E155-K159 IonicContact OE1-NZ 2.66Å; E155-K159 PolarHBondContact OE1-NZ 3.47Å; E155-K159 IonicContact OE2-NZ 2.74Å; E155-S266 WeakPolarHBondContact OE1-CB 3.43Å; E155-S266 PolarHBondContact OE1-OG 3.29Å
156T93.6Very high90.4Very high17 Ų1751.9 Ų51.910%0.10429%0.287CS..Hα-helixtrans-62.2-49.7178.4-63.30000110.8V139 T142 I148 Q152 I153 Y158 K159 H160V139-T156 HydrophobicContact CG1-CG2 4.35Å; T142-T156 HydrophobicContact CG2-CG2 4.01Å; I148-T156 HydrophobicContact CD1-CG2 4.03Å; I148-T156 WeakPolarHBondContact CD1-OG1 3.47Å; Q152-T156 PolarHBondContact O-N 3.11Å; Q152-T156 PolarHBondContact O-OG1 3.33Å; I153-T156 PolarHBondContact O-N 2.97Å; T156-Y158 VanDerWaalsContact C-N 3.29Å; T156-Y158 PolarHBondContact O-N 3.46Å; T156-K159 PolarHBondContact O-N 3.36Å; T156-H160 PolarHBondContact O-CD2 3.28Å; T156-H160 PolarHBondContact O-N 3.21Å
157V94.4Very high90.4Very high0 Ų048.9 Ų48.90%028%0.279CS..Hα-helixtrans-60.9-41.2178178.20000110.8F89 V139 I153 H160 S161 L172 I175 L176F89-V157 HydrophobicContact CD2-CG2 3.73Å; F89-V157 HydrophobicContact CE2-CG2 3.64Å; V139-V157 HydrophobicContact CG1-CG2 4.26Å; I153-V157 HydrophobicContact CG2-CG2 4.33Å; I153-V157 VanDerWaalsContact O-CG2 3.27Å; I153-V157 WeakPolarHBondContact O-CG2 3.23Å; I153-V157 PolarHBondContact O-N 3.32Å; V157-H160 PolarHBondContact O-N 3.41Å; V157-S161 WeakPolarHBondContact O-CB 3.44Å; V157-S161 PolarHBondContact O-N 2.94Å; V157-L172 HydrophobicContact CG1-CB 4.45Å; V157-I175 HydrophobicContact CG1-CG2 4.32Å; V157-L176 HydrophobicContact CB-CD1 4.28Å; V157-L176 HydrophobicContact CG1-CB 3.9Å; V157-L176 HydrophobicContact CG1-CD1 4.23Å
158Y93.8Very high90.5Very high80 Ų8042.2 Ų42.231%0.31425%0.251SS..Hα-helixtrans-61.4-50.6176.5179.7-98.6000112.2L154 E155 T156 H160 S161 C162 L176 Y267L154-Y158 WeakPolarHBondContact O-CB 3.49Å; L154-Y158 PolarHBondContact O-N 2.94Å; E155-Y158 PolarHBondContact O-N 3.43Å; T156-Y158 VanDerWaalsContact C-N 3.29Å; T156-Y158 PolarHBondContact O-N 3.46Å; Y158-H160 VanDerWaalsContact C-N 3.28Å; Y158-H160 PolarHBondContact O-N 2.94Å; Y158-S161 WeakPolarHBondContact O-CB 3.42Å; Y158-S161 PolarHBondContact O-N 3.43Å; Y158-S161 PolarHBondContact O-OG 3.19Å; Y158-C162 PolarHBondContact O-N 2.97Å; Y158-C162 PolarHBondContact O-SG 3.35Å; Y158-L176 HydrophobicContact CD2-CD2 3.83Å; Y158-Y267 AromaticContact CD1-CD1 3.44Å; Y158-Y267 HydrophobicContact CD1-CD1 3.44Å; Y158-Y267 VanDerWaalsContact CD1-CD1 3.44Å; Y158-Y267 HydrophobicContact CD1-CE1 4.14Å; Y158-Y267 HydrophobicContact CD1-CG 4.17Å; Y158-Y267 AromaticContact CD2-CD1 3.95Å; Y158-Y267 HydrophobicContact CD2-CD1 3.95Å; Y158-Y267 HydrophobicContact CD2-CE1 4.2Å; Y158-Y267 HydrophobicContact CD2-CG 4.36Å; Y158-Y267 AromaticContact CE1-CD1 3.83Å; Y158-Y267 HydrophobicContact CE1-CD1 3.83Å; Y158-Y267 HydrophobicContact CE1-CG 4.1Å; Y158-Y267 HydrophobicContact CE2-CD1 4.29Å; Y158-Y267 HydrophobicContact CE2-CG 4.29Å; Y158-Y267 AromaticContact CG-CD1 3.5Å; Y158-Y267 HydrophobicContact CG-CD1 3.5Å; Y158-Y267 AromaticContact CG-CE1 3.77Å; Y158-Y267 HydrophobicContact CG-CE1 3.77Å; Y158-Y267 HydrophobicContact CG-CG 4.29Å
159K92.3Very high90.5Very high121 Ų12147.8 Ų47.853%0.52627%0.271SS..Hα-helixtrans-56.5-41.7178-76.1176.1-178.71650112E155 T156 C162E155-K159 HydrophobicContact CG-CD 4.12Å; E155-K159 HydrophobicContact CG-CG 4.43Å; E155-K159 WeakPolarHBondContact O-CB 3.29Å; E155-K159 WeakPolarHBondContact O-CG 3.24Å; E155-K159 PolarHBondContact O-N 3.37Å; E155-K159 WeakPolarHBondContact OE1-CE 3.22Å; E155-K159 IonicContact OE1-NZ 2.66Å; E155-K159 PolarHBondContact OE1-NZ 3.47Å; E155-K159 IonicContact OE2-NZ 2.74Å; T156-K159 PolarHBondContact O-N 3.36Å; K159-C162 PolarHBondContact O-N 2.86Å
160H90.6Very high90.5Very high65 Ų6551.3 Ų51.330%0.30129%0.289SS..Hα-helixtrans-73.4-29.2176.8-76.6-81.9000113.1V139 T156 V157 Y158 C162 G163 L172V139-H160 HydrophobicContact CG2-CB 3.75Å; T156-H160 PolarHBondContact O-CD2 3.28Å; T156-H160 PolarHBondContact O-N 3.21Å; V157-H160 PolarHBondContact O-N 3.41Å; Y158-H160 VanDerWaalsContact C-N 3.28Å; Y158-H160 PolarHBondContact O-N 2.94Å; H160-C162 VanDerWaalsContact C-N 3.27Å; H160-C162 PolarHBondContact O-N 3.38Å; H160-G163 PolarHBondContact O-N 2.98Å; H160-L172 VanDerWaalsContact C-CD1 3.49Å; H160-L172 HydrophobicContact CB-CD1 3.79Å; H160-L172 WeakPolarHBondContact O-CD1 3.49Å
161S90.4Very high90.6Very high6 Ų651.8 Ų51.84%0.04229%0.294CS..Hα-helixtrans-67.1-26.6174.678.90000113.1V157 Y158 G163 R169V157-S161 WeakPolarHBondContact O-CB 3.44Å; V157-S161 PolarHBondContact O-N 2.94Å; Y158-S161 WeakPolarHBondContact O-CB 3.42Å; Y158-S161 PolarHBondContact O-N 3.43Å; Y158-S161 PolarHBondContact O-OG 3.19Å; S161-G163 PolarHBondContact O-N 2.87Å; S161-G163 VanDerWaalsContact O-N 3.1Å; S161-R169 WeakPolarHBondContact O-CG 3.36Å
162C87.1Confident90.6Very high84 Ų8451.9 Ų51.957%0.56829%0.294SS*.THydrogen-bonded Turntrans-69.2-0.5174-58.40000113.8Y158 K159 H160Y158-C162 PolarHBondContact O-N 2.97Å; Y158-C162 PolarHBondContact O-SG 3.35Å; K159-C162 PolarHBondContact O-N 2.86Å; H160-C162 VanDerWaalsContact C-N 3.27Å; H160-C162 PolarHBondContact O-N 3.38Å
163G83.5Confident90.6Very high38 Ų3850.7 Ų50.739%0.39229%0.288SS..SBendtrans-62.8158.5175.100000113.9H160 S161 L165H160-G163 PolarHBondContact O-N 2.98Å; S161-G163 PolarHBondContact O-N 2.87Å; S161-G163 VanDerWaalsContact O-N 3.1Å; G163-L165 PolarHBondContact O-N 3.42Å
164G76.4Confident90.5Very high80 Ų8057.3 Ų57.383%0.82532%0.317SS*.SBendtrans-80.8-4.8-171.500000116.7P166G164-P166 WeakPolarHBondContact O-CD 3.44Å
165L89.1Confident90.5Very high76 Ų7657.3 Ų57.340%0.39832%0.317SS..  trans-92.1113.3-176.5-65.1176.5000111L131 G163 V168 R169L131-L165 HydrophobicContact CD1-CD1 3.75Å; L131-L165 HydrophobicContact CD2-CD1 4.23Å; L131-L165 HydrophobicContact CD2-CD2 4.3Å; L131-L165 HydrophobicContact CG-CD1 4.02Å; G163-L165 PolarHBondContact O-N 3.42Å; L165-V168 HydrophobicContact CB-CB 4.03Å; L165-V168 HydrophobicContact CB-CG2 3.87Å; L165-V168 HydrophobicContact CD1-CG2 4.06Å; L165-V168 PolarHBondContact O-N 3.08Å; L165-R169 WeakPolarHBondContact O-CB 3.45Å; L165-R169 PolarHBondContact O-N 3.42Å
166P89.3Confident90.6Very high88 Ų8855.9 Ų55.957%0.57131%0.311SS*.Hα-helixtrans-58.3-44-173.4-23.332.3000115.3G164 V168 R169 M170G164-P166 WeakPolarHBondContact O-CD 3.44Å; P166-V168 VanDerWaalsContact C-N 3.33Å; P166-V168 PolarHBondContact O-N 3.23Å; P166-R169 PolarHBondContact O-N 2.97Å; P166-M170 VanDerWaalsContact O-CG 3.3Å; P166-M170 WeakPolarHBondContact O-CG 3.43Å; P166-M170 PolarHBondContact O-N 2.86Å
167P88.6Confident90.6Very high70 Ų7056.3 Ų56.346%0.45532%0.316SS..Hα-helixtrans-64.6-37179.4-22.534.4000113.1A171P167-A171 WeakPolarHBondContact O-CB 3.43Å; P167-A171 PolarHBondContact O-N 3.27Å; P167-A171 VanDerWaalsContact O-N 3.15Å
168V90.6Very high90.6Very high12 Ų1259.1 Ų59.17%0.07333%0.333CS..Hα-helixtrans-69-46.3177.4179.10000110.1L132 S135 L165 P166 M170 A171 L172L132-V168 HydrophobicContact CD1-CB 4.41Å; L132-V168 HydrophobicContact CD1-CG2 4.17Å; S135-V168 VanDerWaalsContact CB-CG1 3.5Å; L165-V168 HydrophobicContact CB-CB 4.03Å; L165-V168 HydrophobicContact CB-CG2 3.87Å; L165-V168 HydrophobicContact CD1-CG2 4.06Å; L165-V168 PolarHBondContact O-N 3.08Å; P166-V168 VanDerWaalsContact C-N 3.33Å; P166-V168 PolarHBondContact O-N 3.23Å; V168-M170 PolarHBondContact O-N 3.02Å; V168-A171 PolarHBondContact O-N 2.99Å; V168-L172 HydrophobicContact CG1-CD1 3.89Å; V168-L172 HydrophobicContact CG1-CG 4.32Å; V168-L172 WeakPolarHBondContact O-CG 3.49Å; V168-L172 PolarHBondContact O-N 3.09Å
169R91.4Very high90.6Very high124 Ų12455.3 Ų55.347%0.46832%0.318SS..Hα-helixtrans-56.7-50.9176.6172.5171.4173.3177.41.8111.4S161 L165 P166 A171 L172 E173S161-R169 WeakPolarHBondContact O-CG 3.36Å; L165-R169 WeakPolarHBondContact O-CB 3.45Å; L165-R169 PolarHBondContact O-N 3.42Å; P166-R169 PolarHBondContact O-N 2.97Å; R169-A171 VanDerWaalsContact C-N 3.28Å; R169-A171 PolarHBondContact O-N 3.02Å; R169-L172 PolarHBondContact O-N 3.3Å; R169-E173 HydrophobicContact CG-CG 4.21Å; R169-E173 WeakPolarHBondContact CG-OE1 3.31Å; R169-E173 IonicContact CZ-OE1 3.2Å; R169-E173 IonicContact NE-OE1 2.79Å; R169-E173 PolarHBondContact NE-OE1 3.11Å; R169-E173 IonicContact NH2-OE1 2.7Å; R169-E173 PolarHBondContact NH2-OE1 3Å; R169-E173 VanDerWaalsContact NH2-OE1 3.1Å; R169-E173 WeakPolarHBondContact O-CB 3.44Å; R169-E173 VanDerWaalsContact O-CG 3.3Å; R169-E173 WeakPolarHBondContact O-CG 3.36Å; R169-E173 PolarHBondContact O-N 2.96Å
170M91.1Very high90.7Very high113 Ų11350 Ų5056%0.55730%0.295SS*.Hα-helixtrans-60.5-36.9178.7-70.1177.973.200112.7P166 V168 K174P166-M170 VanDerWaalsContact O-CG 3.3Å; P166-M170 WeakPolarHBondContact O-CG 3.43Å; P166-M170 PolarHBondContact O-N 2.86Å; V168-M170 PolarHBondContact O-N 3.02Å; M170-K174 WeakPolarHBondContact O-CG 3.43Å; M170-K174 PolarHBondContact O-N 2.95Å
171A91.8Very high90.9Very high11 Ų1147.3 Ų47.39%0.09129%0.286CS..Hα-helixtrans-68.6-45.6176.500000112M96 L132 P167 V168 R169 K174 I175M96-A171 HydrophobicContact CG-CB 3.89Å; L132-A171 HydrophobicContact CD1-CB 3.6Å; L132-A171 HydrophobicContact CD2-CB 4.45Å; P167-A171 WeakPolarHBondContact O-CB 3.43Å; P167-A171 PolarHBondContact O-N 3.27Å; P167-A171 VanDerWaalsContact O-N 3.15Å; V168-A171 PolarHBondContact O-N 2.99Å; R169-A171 VanDerWaalsContact C-N 3.28Å; R169-A171 PolarHBondContact O-N 3.02Å; A171-K174 PolarHBondContact O-N 3.07Å; A171-I175 WeakPolarHBondContact O-CG1 3.37Å; A171-I175 PolarHBondContact O-N 3.39Å; A171-I175 VanDerWaalsContact O-N 3.08Å
172L93.3Very high91.1Very high2 Ų248.3 Ų48.31%0.0129%0.291CS..Hα-helixtrans-68.3-35.7178-67.6177.3000112.3V136 V139 V157 H160 V168 R169 I175 L176V136-L172 HydrophobicContact CG2-CD2 4.3Å; V139-L172 HydrophobicContact CG2-CD2 4.17Å; V157-L172 HydrophobicContact CG1-CB 4.45Å; H160-L172 VanDerWaalsContact C-CD1 3.49Å; H160-L172 HydrophobicContact CB-CD1 3.79Å; H160-L172 WeakPolarHBondContact O-CD1 3.49Å; V168-L172 HydrophobicContact CG1-CD1 3.89Å; V168-L172 HydrophobicContact CG1-CG 4.32Å; V168-L172 WeakPolarHBondContact O-CG 3.49Å; V168-L172 PolarHBondContact O-N 3.09Å; R169-L172 PolarHBondContact O-N 3.3Å; L172-I175 HydrophobicContact CD2-CD1 4.33Å; L172-I175 PolarHBondContact O-N 2.71Å; L172-L176 VanDerWaalsContact O-CB 3.28Å; L172-L176 WeakPolarHBondContact O-CB 3.16Å; L172-L176 PolarHBondContact O-N 2.93Å
173E92.8Very high91.4Very high34 Ų3444.3 Ų44.316%0.15926%0.264CS..Hα-helixtrans-62.4-40.7173.1-76.5172.4164.300111.3R169 L176 A177 L319R169-E173 HydrophobicContact CG-CG 4.21Å; R169-E173 WeakPolarHBondContact CG-OE1 3.31Å; R169-E173 IonicContact CZ-OE1 3.2Å; R169-E173 IonicContact NE-OE1 2.79Å; R169-E173 PolarHBondContact NE-OE1 3.11Å; R169-E173 IonicContact NH2-OE1 2.7Å; R169-E173 PolarHBondContact NH2-OE1 3Å; R169-E173 VanDerWaalsContact NH2-OE1 3.1Å; R169-E173 WeakPolarHBondContact O-CB 3.44Å; R169-E173 VanDerWaalsContact O-CG 3.3Å; R169-E173 WeakPolarHBondContact O-CG 3.36Å; R169-E173 PolarHBondContact O-N 2.96Å; E173-L176 PolarHBondContact O-N 3.12Å; E173-A177 WeakPolarHBondContact O-CB 3.47Å; E173-A177 PolarHBondContact O-N 3.32Å; E173-L319 HydrophobicContact CB-CD2 4.27Å; E173-L319 VanDerWaalsContact CD-CD2 3.4Å; E173-L319 HydrophobicContact CG-CD2 4.05Å; E173-L319 WeakPolarHBondContact OE2-CD2 3.47Å
174K92.6Very high92Very high141 Ų14143.1 Ų43.161%0.61325%0.248SC*.Hα-helixtrans-64-43.4173.5-74.7177.2-178.5-175.90112.5M170 A171 L176 A177 V178M170-K174 WeakPolarHBondContact O-CG 3.43Å; M170-K174 PolarHBondContact O-N 2.95Å; A171-K174 PolarHBondContact O-N 3.07Å; K174-L176 VanDerWaalsContact C-N 3.31Å; K174-A177 PolarHBondContact O-N 3.41Å; K174-V178 WeakPolarHBondContact O-CG2 3.15Å; K174-V178 PolarHBondContact O-N 2.96Å
175I94.6Very high92.8Very high1 Ų146.2 Ų46.21%0.00524%0.239CC..Hα-helixtrans-61.7-44.7175.6-66.5168.9000109.7F89 M96 V157 A171 L172 A177 V178 C179F89-I175 HydrophobicContact CD2-CG2 3.46Å; F89-I175 VanDerWaalsContact CD2-CG2 3.46Å; F89-I175 HydrophobicContact CE2-CG2 3.73Å; F89-I175 HydrophobicContact CG-CG2 4.42Å; M96-I175 HydrophobicContact CB-CD1 4.4Å; V157-I175 HydrophobicContact CG1-CG2 4.32Å; A171-I175 WeakPolarHBondContact O-CG1 3.37Å; A171-I175 PolarHBondContact O-N 3.39Å; A171-I175 VanDerWaalsContact O-N 3.08Å; L172-I175 HydrophobicContact CD2-CD1 4.33Å; L172-I175 PolarHBondContact O-N 2.71Å; I175-A177 VanDerWaalsContact C-N 3.35Å; I175-A177 PolarHBondContact O-N 3.28Å; I175-V178 PolarHBondContact O-N 3.39Å; I175-C179 PolarHBondContact O-N 3.39Å; I175-C179 VanDerWaalsContact O-N 3.12Å; I175-C179 PolarHBondContact O-SG 3.03Å; I175-C179 VanDerWaalsContact O-SG 3.37Å
176L94.6Very high93Very high10 Ų1043 Ų435%0.05222%0.222CC..Hα-helixtrans-60.4-43178.2-173.763.3000111.7L154 V157 Y158 L172 E173 K174 V178 C179 H180L154-L176 HydrophobicContact CB-CD1 4.35Å; L154-L176 HydrophobicContact CD2-CD1 4.15Å; V157-L176 HydrophobicContact CB-CD1 4.28Å; V157-L176 HydrophobicContact CG1-CB 3.9Å; V157-L176 HydrophobicContact CG1-CD1 4.23Å; Y158-L176 HydrophobicContact CD2-CD2 3.83Å; L172-L176 VanDerWaalsContact O-CB 3.28Å; L172-L176 WeakPolarHBondContact O-CB 3.16Å; L172-L176 PolarHBondContact O-N 2.93Å; E173-L176 PolarHBondContact O-N 3.12Å; K174-L176 VanDerWaalsContact C-N 3.31Å; L176-V178 VanDerWaalsContact C-N 3.33Å; L176-V178 PolarHBondContact O-N 2.86Å; L176-C179 CarbonylContact O-C 3.46Å; L176-C179 PolarHBondContact O-N 3.37Å; L176-C179 VanDerWaalsContact O-N 3.15Å; L176-H180 PolarHBondContact O-N 3.14Å
177A94.3Very high93.2Very high27 Ų2738.9 Ų38.922%0.22320%0.195CC..Hα-helixtrans-60.4-39.5177.300000112.5E173 K174 I175 H180 G181E173-A177 WeakPolarHBondContact O-CB 3.47Å; E173-A177 PolarHBondContact O-N 3.32Å; K174-A177 PolarHBondContact O-N 3.41Å; I175-A177 VanDerWaalsContact C-N 3.35Å; I175-A177 PolarHBondContact O-N 3.28Å; A177-H180 PolarHBondContact O-N 3.35Å; A177-G181 PolarHBondContact O-N 2.87Å
178V94.5Very high93.4Very high58 Ų5836.7 Ų36.735%0.35218%0.182SC..Hα-helixtrans-63.7-43.6174.5176.80000110.9A88 T91 K174 I175 L176 G181A88-V178 HydrophobicContact CB-CG1 4.38Å; A88-V178 WeakPolarHBondContact O-CG1 3.31Å; T91-V178 HydrophobicContact CG2-CG1 4.46Å; K174-V178 WeakPolarHBondContact O-CG2 3.15Å; K174-V178 PolarHBondContact O-N 2.96Å; I175-V178 PolarHBondContact O-N 3.39Å; L176-V178 VanDerWaalsContact C-N 3.33Å; L176-V178 PolarHBondContact O-N 2.86Å; V178-G181 PolarHBondContact O-N 3.43Å; V178-G181 VanDerWaalsContact O-N 3.17Å
179C94.6Very high93.4Very high0 Ų036.6 Ų36.60%018%0.183CC..Hα-helixtrans-67.7-39.6177.1-60.70000112.5F89 L154 I175 L176 G181 V182 M183F89-C179 VanDerWaalsContact CA-SG 3.59Å; F89-C179 PolarHBondContact N-SG 3.42Å; L154-C179 HydrophobicContact CD2-CB 3.27Å; I175-C179 PolarHBondContact O-N 3.39Å; I175-C179 VanDerWaalsContact O-N 3.12Å; I175-C179 PolarHBondContact O-SG 3.03Å; I175-C179 VanDerWaalsContact O-SG 3.37Å; L176-C179 CarbonylContact O-C 3.46Å; L176-C179 PolarHBondContact O-N 3.37Å; L176-C179 VanDerWaalsContact O-N 3.15Å; C179-G181 PolarHBondContact O-N 2.95Å; C179-V182 WeakPolarHBondContact O-CB 3.28Å; C179-V182 PolarHBondContact O-N 2.82Å; C179-M183 PolarHBondContact O-N 2.97Å
180H94.3Very high93.5Very high9 Ų930.7 Ų30.74%0.04216%0.161CC..Hα-helixtrans-60-30.3171.2-77.1153.3000111.9L176 A177 V182 M183 Y184 Y267 F320L176-H180 PolarHBondContact O-N 3.14Å; A177-H180 PolarHBondContact O-N 3.35Å; H180-V182 PolarHBondContact O-N 3.12Å; H180-M183 WeakPolarHBondContact O-CB 3.32Å; H180-M183 PolarHBondContact O-N 3.11Å; H180-Y184 HydrophobicContact CB-CD2 4.22Å; H180-Y184 HydrophobicContact CB-CE2 4.03Å; H180-Y184 WeakPolarHBondContact O-CD2 3.45Å; H180-Y184 PolarHBondContact O-N 2.93Å; H180-Y267 AromaticContact NE2-CE2 3.77Å; H180-Y267 AromaticContact NE2-CZ 3.6Å; H180-Y267 PolarHBondContact NE2-OH 3.13Å; H180-F320 AromaticContact CE1-CD2 3.76Å; H180-F320 AromaticContact CE1-CG 3.73Å
181G93.8Very high93.4Very high10 Ų1025.3 Ų25.310%0.10313%0.134CC..Hα-helixtrans-57.9-27.7172.500000114.4A177 V178 C179 K185A177-G181 PolarHBondContact O-N 2.87Å; V178-G181 PolarHBondContact O-N 3.43Å; V178-G181 VanDerWaalsContact O-N 3.17Å; C179-G181 PolarHBondContact O-N 2.95Å; G181-K185 PolarHBondContact O-N 3.36Å
182V94.3Very high93.3Very high26 Ų2625 Ų2516%0.15813%0.131CC..Hα-helixtrans-77.2-45.6171.5-1790000110.7I84 Y85 A88 C179 H180 Y184 K185 Q186I84-V182 HydrophobicContact CB-CG1 4.32Å; I84-V182 HydrophobicContact CD1-CG1 3.41Å; I84-V182 VanDerWaalsContact CD1-CG1 3.41Å; I84-V182 HydrophobicContact CG1-CG1 3.72Å; Y85-V182 HydrophobicContact CD1-CB 4.32Å; Y85-V182 HydrophobicContact CD1-CG1 4.38Å; Y85-V182 HydrophobicContact CD2-CG1 4.43Å; Y85-V182 HydrophobicContact CE1-CB 4.02Å; Y85-V182 HydrophobicContact CE1-CG1 4.06Å; Y85-V182 HydrophobicContact CE2-CG1 4.14Å; A88-V182 HydrophobicContact CB-CG2 3.48Å; A88-V182 VanDerWaalsContact CB-CG2 3.48Å; C179-V182 WeakPolarHBondContact O-CB 3.28Å; C179-V182 PolarHBondContact O-N 2.82Å; H180-V182 PolarHBondContact O-N 3.12Å; V182-Y184 PolarHBondContact O-N 2.9Å; V182-K185 WeakPolarHBondContact O-CB 3.31Å; V182-K185 PolarHBondContact O-N 3.13Å; V182-Q186 PolarHBondContact O-N 2.97Å
183M94.7Very high92.9Very high0 Ų028.6 Ų28.60%015%0.148CC..Hα-helixtrans-56.8-47.8176.4-173.7-171.673.200111.7Y85 L154 C179 H180 K185 Q186 L187 I268 F320Y85-M183 HydrophobicContact CE1-CB 4.23Å; Y85-M183 VanDerWaalsContact OH-CA 3.28Å; Y85-M183 WeakPolarHBondContact OH-CA 3.32Å; L154-M183 HydrophobicContact CD1-CB 4.38Å; L154-M183 HydrophobicContact CD1-SD 4.09Å; C179-M183 PolarHBondContact O-N 2.97Å; H180-M183 WeakPolarHBondContact O-CB 3.32Å; H180-M183 PolarHBondContact O-N 3.11Å; M183-K185 VanDerWaalsContact C-N 3.25Å; M183-K185 PolarHBondContact O-N 3.38Å; M183-Q186 PolarHBondContact O-N 3.08Å; M183-L187 HydrophobicContact CE-CD1 4.23Å; M183-L187 HydrophobicContact CG-CD1 4.02Å; M183-L187 HydrophobicContact CG-CG 4.46Å; M183-L187 WeakPolarHBondContact O-CB 3.45Å; M183-L187 VanDerWaalsContact O-CG 3.29Å; M183-L187 WeakPolarHBondContact O-CG 3.37Å; M183-L187 PolarHBondContact O-N 2.92Å; M183-I268 HydrophobicContact CE-CD1 4.39Å; M183-I268 HydrophobicContact SD-CD1 3.87Å; M183-F320 HydrophobicContact CE-CE2 4.33Å
184Y95.1Very high92.6Very high14 Ų1427.3 Ų27.36%0.05514%0.143CC..Hα-helixtrans-62.5-31.3176.1-74.2-61.6000113H180 V182 L187 A188 L311 L314 K315 F325H180-Y184 HydrophobicContact CB-CD2 4.22Å; H180-Y184 HydrophobicContact CB-CE2 4.03Å; H180-Y184 WeakPolarHBondContact O-CD2 3.45Å; H180-Y184 PolarHBondContact O-N 2.93Å; V182-Y184 PolarHBondContact O-N 2.9Å; Y184-L187 HydrophobicContact CD1-CD1 4.26Å; Y184-A188 VanDerWaalsContact O-CB 3.3Å; Y184-A188 WeakPolarHBondContact O-CB 3.41Å; Y184-A188 PolarHBondContact O-N 3.18Å; Y184-L311 HydrophobicContact CD1-CD2 4.45Å; Y184-L314 HydrophobicContact CD1-CB 4.45Å; Y184-L314 HydrophobicContact CE1-CB 3.77Å; Y184-L314 HydrophobicContact CE1-CD1 4.01Å; Y184-L314 HydrophobicContact CE2-CB 4.44Å; Y184-K315 HydrophobicContact CD2-CB 3.86Å; Y184-K315 HydrophobicContact CD2-CG 4.39Å; Y184-K315 HydrophobicContact CG-CB 4.17Å; Y184-F325 AromaticContact CE1-CD2 3.83Å; Y184-F325 HydrophobicContact CE1-CD2 3.83Å; Y184-F325 AromaticContact CE1-CE2 3.93Å; Y184-F325 HydrophobicContact CE1-CE2 3.93Å
185K93.1Very high92.3Very high145 Ų14525.2 Ų25.263%0.6314%0.138SC*.Hα-helixtrans-69.6-43.4175.2-173.4-179.5178.8-1780111.3G181 V182 M183 A189G181-K185 PolarHBondContact O-N 3.36Å; V182-K185 WeakPolarHBondContact O-CB 3.31Å; V182-K185 PolarHBondContact O-N 3.13Å; M183-K185 VanDerWaalsContact C-N 3.25Å; M183-K185 PolarHBondContact O-N 3.38Å; K185-A189 WeakPolarHBondContact O-CB 3.37Å; K185-A189 PolarHBondContact O-N 3.27Å; K185-A189 VanDerWaalsContact O-N 3.07Å
186Q93.6Very high92.1Very high9 Ų927.5 Ų27.54%0.04215%0.15CC..Hα-helixtrans-65-42.5174.5-71.5-174.2-51.400111.3I84 Y85 V182 M183 A189 W190 L197 F203I84-Q186 HydrophobicContact CD1-CG 4.45Å; Y85-Q186 VanDerWaalsContact CE2-OE1 3.29Å; Y85-Q186 PolarHBondContact OH-OE1 3.25Å; V182-Q186 PolarHBondContact O-N 2.97Å; M183-Q186 PolarHBondContact O-N 3.08Å; Q186-A189 PolarHBondContact O-N 2.92Å; Q186-W190 WeakPolarHBondContact O-CB 3.07Å; Q186-W190 PolarHBondContact O-N 3.03Å; Q186-L197 PolarHBondContact NE2-O 3.2Å; Q186-L197 VanDerWaalsContact NE2-O 3.07Å; Q186-F203 HydrophobicContact CB-CD2 4.09Å; Q186-F203 HydrophobicContact CB-CE2 4.07Å; Q186-F203 HydrophobicContact CB-CG 4.48Å; Q186-F203 HydrophobicContact CB-CZ 4.43Å
187L93.8Very high91.7Very high0 Ų031.7 Ų31.70%017%0.172CC..Hα-helixtrans-61.3-45.1175.5-73.8170000112.5M183 Y184 W190 M191 F203 F204 I276 F325M183-L187 HydrophobicContact CE-CD1 4.23Å; M183-L187 HydrophobicContact CG-CD1 4.02Å; M183-L187 HydrophobicContact CG-CG 4.46Å; M183-L187 WeakPolarHBondContact O-CB 3.45Å; M183-L187 VanDerWaalsContact O-CG 3.29Å; M183-L187 WeakPolarHBondContact O-CG 3.37Å; M183-L187 PolarHBondContact O-N 2.92Å; Y184-L187 HydrophobicContact CD1-CD1 4.26Å; L187-W190 PolarHBondContact O-N 3.14Å; L187-M191 HydrophobicContact CD2-SD 4.33Å; L187-M191 VanDerWaalsContact O-CB 3.26Å; L187-M191 WeakPolarHBondContact O-CB 3.23Å; L187-M191 WeakPolarHBondContact O-CG 3.34Å; L187-M191 PolarHBondContact O-N 3.26Å; L187-F203 HydrophobicContact CD2-CE2 4.34Å; L187-F203 HydrophobicContact CD2-CZ 3.87Å; L187-F203 HydrophobicContact CG-CE2 4.45Å; L187-F203 HydrophobicContact CG-CZ 4.33Å; L187-F204 HydrophobicContact CD2-CZ 4.1Å; L187-I276 HydrophobicContact CD2-CD1 3.83Å; L187-I276 HydrophobicContact CD2-CG1 4.25Å; L187-I276 HydrophobicContact CD2-CG2 3.57Å; L187-F325 HydrophobicContact CD1-CE2 3.76Å; L187-F325 HydrophobicContact CD1-CZ 3.97Å
188A92.3Very high91.3Very high24 Ų2431.7 Ų31.720%0.19817%0.168CC..Hα-helixtrans-62.5-44.7176.900000111.4Y184 W190 L192 L311Y184-A188 VanDerWaalsContact O-CB 3.3Å; Y184-A188 WeakPolarHBondContact O-CB 3.41Å; Y184-A188 PolarHBondContact O-N 3.18Å; A188-W190 VanDerWaalsContact C-N 3.34Å; A188-W190 PolarHBondContact O-N 3.1Å; A188-L192 HydrophobicContact CB-CD1 4.27Å; A188-L192 WeakPolarHBondContact O-CB 3.46Å; A188-L192 WeakPolarHBondContact O-CG 3.36Å; A188-L192 PolarHBondContact O-N 3.19Å; A188-L311 HydrophobicContact CB-CD1 3.89Å
189A91.3Very high90.7Very high10 Ų1038.5 Ų38.58%0.08320%0.196CC..Hα-helixtrans-61.6-42177.300000112.5K185 Q186 H193 G194 L195 L197K185-A189 WeakPolarHBondContact O-CB 3.37Å; K185-A189 PolarHBondContact O-N 3.27Å; K185-A189 VanDerWaalsContact O-N 3.07Å; Q186-A189 PolarHBondContact O-N 2.92Å; A189-H193 CarbonylContact O-C 3.39Å; A189-H193 WeakPolarHBondContact O-CB 3.5Å; A189-H193 PolarHBondContact O-N 3.08Å; A189-G194 PolarHBondContact O-N 2.91Å; A189-L195 CarbonylContact C-O 3.59Å; A189-L195 PolarHBondContact O-N 3.16Å; A189-L197 HydrophobicContact CB-CD1 3.62Å; A189-L197 HydrophobicContact CB-CG 4.02Å
190W92.8Very high90.1Very high1 Ų140.1 Ų40.10%0.00421%0.208CC..Hα-helixtrans-73.1-50.9-179.9178.5-116.5000112.6Q186 L187 A188 G194 L195 L196 I205 F257 I276 L277 G280 E281 Q284Q186-W190 WeakPolarHBondContact O-CB 3.07Å; Q186-W190 PolarHBondContact O-N 3.03Å; L187-W190 PolarHBondContact O-N 3.14Å; A188-W190 VanDerWaalsContact C-N 3.34Å; A188-W190 PolarHBondContact O-N 3.1Å; W190-G194 WeakPolarHBondContact O-CA 3.45Å; W190-G194 PolarHBondContact O-N 2.79Å; W190-L195 PolarHBondContact N-O 3.11Å; W190-L196 HydrophobicContact CE3-CB 4.21Å; W190-L196 HydrophobicContact CE3-CD1 4.27Å; W190-L196 HydrophobicContact CZ3-CB 4.29Å; W190-I205 HydrophobicContact CZ2-CG2 4.01Å; W190-F257 HydrophobicContact CH2-CB 4.47Å; W190-F257 AromaticContact CH2-CD1 3.66Å; W190-F257 HydrophobicContact CH2-CD1 3.66Å; W190-F257 AromaticContact CH2-CD2 3.87Å; W190-F257 HydrophobicContact CH2-CD2 3.87Å; W190-F257 AromaticContact CH2-CE1 3.74Å; W190-F257 HydrophobicContact CH2-CE1 3.74Å; W190-F257 AromaticContact CH2-CE2 3.93Å; W190-F257 HydrophobicContact CH2-CE2 3.93Å; W190-F257 AromaticContact CH2-CG 3.73Å; W190-F257 HydrophobicContact CH2-CG 3.73Å; W190-F257 AromaticContact CH2-CZ 3.87Å; W190-F257 HydrophobicContact CH2-CZ 3.87Å; W190-F257 HydrophobicContact CZ2-CD1 4.43Å; W190-F257 HydrophobicContact CZ2-CG 4.3Å; W190-F257 HydrophobicContact CZ3-CD1 4.2Å; W190-F257 AromaticContact CZ3-CE1 3.89Å; W190-F257 HydrophobicContact CZ3-CE1 3.89Å; W190-F257 HydrophobicContact CZ3-CZ 4.06Å; W190-I276 PolarHBondContact NE1-O 3.39Å; W190-L277 HydrophobicContact CZ2-CD1 4.46Å; W190-G280 WeakPolarHBondContact O-CA 3.22Å; W190-E281 HydrophobicContact CZ2-CG 4.24Å; W190-E281 VanDerWaalsContact CZ2-N 3.34Å; W190-Q284 HydrophobicContact CH2-CB 4.5Å; W190-Q284 HydrophobicContact CZ3-CB 4.44Å; W190-Q284 HydrophobicContact CZ3-CG 4.46Å
191M90.4Very high89.7Confident0 Ų045.7 Ų45.70%023%0.234CC..Hα-helixtrans-80-25.8-172.7-65.6-178.572.600114.1L187 I276 V279 V283 I329 I332L187-M191 HydrophobicContact CD2-SD 4.33Å; L187-M191 VanDerWaalsContact O-CB 3.26Å; L187-M191 WeakPolarHBondContact O-CB 3.23Å; L187-M191 WeakPolarHBondContact O-CG 3.34Å; L187-M191 PolarHBondContact O-N 3.26Å; M191-I276 HydrophobicContact CE-CG1 4.49Å; M191-I276 HydrophobicContact CG-CG2 4.19Å; M191-I276 HydrophobicContact SD-CB 4.5Å; M191-I276 HydrophobicContact SD-CG1 4.05Å; M191-I276 HydrophobicContact SD-CG2 4.17Å; M191-V279 HydrophobicContact CB-CG1 3.77Å; M191-V279 HydrophobicContact CE-CB 4.02Å; M191-V279 HydrophobicContact CE-CG1 3.74Å; M191-V279 HydrophobicContact CE-CG2 4.12Å; M191-V279 HydrophobicContact CG-CG1 3.95Å; M191-V283 WeakPolarHBondContact O-CG2 3.22Å; M191-I329 HydrophobicContact CE-CD1 3.62Å; M191-I329 HydrophobicContact CE-CG2 4.15Å; M191-I329 HydrophobicContact SD-CD1 3.46Å; M191-I329 WeakPolarHBondContact SD-CD1 3.17Å; M191-I332 HydrophobicContact CE-CB 3.92Å; M191-I332 HydrophobicContact CE-CD1 3.74Å; M191-I332 HydrophobicContact CE-CG1 4.44Å; M191-I332 HydrophobicContact CE-CG2 3.84Å; M191-I332 HydrophobicContact SD-CD1 4.44Å
192L88.4Confident89.6Confident4 Ų445.3 Ų45.32%0.02123%0.229CC..Hα-helixtrans-97-32.1-179.6-53.8-179.8000112.5A188 L300 E304 F307 A308 L311A188-L192 HydrophobicContact CB-CD1 4.27Å; A188-L192 WeakPolarHBondContact O-CB 3.46Å; A188-L192 WeakPolarHBondContact O-CG 3.36Å; A188-L192 PolarHBondContact O-N 3.19Å; L192-L300 HydrophobicContact CB-CD1 4.34Å; L192-L300 HydrophobicContact CD2-CD1 3.73Å; L192-E304 HydrophobicContact CB-CG 4.36Å; L192-F307 HydrophobicContact CD2-CB 3.75Å; L192-A308 HydrophobicContact CD1-CB 3.87Å; L192-L311 HydrophobicContact CD1-CD1 4.32Å; L192-L311 HydrophobicContact CG-CD1 4.46Å
193H85.8Confident89.5Confident78 Ų7844.1 Ų44.136%0.36122%0.222SC..Hα-helixtrans-124.5-2.3-174.2-47.4-63.8000114.2A189 L195 E304A189-H193 CarbonylContact O-C 3.39Å; A189-H193 WeakPolarHBondContact O-CB 3.5Å; A189-H193 PolarHBondContact O-N 3.08Å; H193-L195 HydrophobicContact CB-CD1 4.06Å; H193-L195 HydrophobicContact CB-CG 3.98Å; H193-L195 PolarHBondContact O-N 3.08Å; H193-E304 IonicContact CE1-OE1 2.8Å; H193-E304 PolarHBondContact CE1-OE1 3.23Å; H193-E304 IonicContact ND1-OE1 3.16Å; H193-E304 PolarHBondContact ND1-OE1 2.98Å; H193-E304 VanDerWaalsContact ND1-OE1 3.15Å
194G85.3Confident89.5Confident6 Ų644.2 Ų44.26%0.06222%0.222CC..  trans66.517.6-177.800000113.9A189 W190 Q284A189-G194 PolarHBondContact O-N 2.91Å; W190-G194 WeakPolarHBondContact O-CA 3.45Å; W190-G194 PolarHBondContact O-N 2.79Å; G194-Q284 WeakPolarHBondContact O-CG 3.19Å
195L87.6Confident89.4Confident97 Ų9743.5 Ų43.551%0.50822%0.22SC..  trans-97.2115.5-175.5-63.4178000111A189 W190 H193 L197A189-L195 CarbonylContact C-O 3.59Å; A189-L195 PolarHBondContact O-N 3.16Å; W190-L195 PolarHBondContact N-O 3.11Å; H193-L195 HydrophobicContact CB-CD1 4.06Å; H193-L195 HydrophobicContact CB-CG 3.98Å; H193-L195 PolarHBondContact O-N 3.08Å; L195-L197 PolarHBondContact O-N 3.18Å
196L89Confident89.2Confident50 Ų5040.2 Ų40.226%0.26221%0.205SC..  trans-84.788.9175-166.768.6000110.6W190 D198 F203 I205 Q207 F257W190-L196 HydrophobicContact CE3-CB 4.21Å; W190-L196 HydrophobicContact CE3-CD1 4.27Å; W190-L196 HydrophobicContact CZ3-CB 4.29Å; L196-D198 HydrophobicContact CG-CB 4.34Å; L196-D198 PolarHBondContact O-N 3.44Å; L196-D198 VanDerWaalsContact O-N 3.12Å; L196-F203 HydrophobicContact CD1-CD1 3.82Å; L196-F203 HydrophobicContact CD1-CE1 4.35Å; L196-I205 HydrophobicContact CD1-CB 4.06Å; L196-I205 HydrophobicContact CD1-CG2 4.05Å; L196-Q207 HydrophobicContact CD2-CB 4.29Å; L196-F257 HydrophobicContact CD2-CD1 4.43Å; L196-F257 HydrophobicContact CD2-CE1 4.31Å
197L86.1Confident88.9Confident97 Ų9744.7 Ų44.751%0.50823%0.226SC..  trans-83.776.5177-58.9179.5000111Q186 A189 L195Q186-L197 PolarHBondContact NE2-O 3.2Å; Q186-L197 VanDerWaalsContact NE2-O 3.07Å; A189-L197 HydrophobicContact CB-CD1 3.62Å; A189-L197 HydrophobicContact CB-CG 4.02Å; L195-L197 PolarHBondContact O-N 3.18Å
198D86Confident87.9Confident27 Ų2745.2 Ų45.214%0.14423%0.231CC..  trans-140.472.1-175.6-165.722.3000113.7L196 S200 E201 E202 F203 R260L196-D198 HydrophobicContact CG-CB 4.34Å; L196-D198 PolarHBondContact O-N 3.44Å; L196-D198 VanDerWaalsContact O-N 3.12Å; D198-S200 VanDerWaalsContact C-N 3.26Å; D198-S200 PolarHBondContact O-N 3.34Å; D198-E201 PolarHBondContact OD1-N 3.04Å; D198-E201 VanDerWaalsContact OD2-C 3.32Å; D198-E201 VanDerWaalsContact OD2-CA 3.24Å; D198-E201 WeakPolarHBondContact OD2-CA 3.25Å; D198-E202 VanDerWaalsContact CG-N 3.3Å; D198-E202 PolarHBondContact OD1-N 3.08Å; D198-E202 PolarHBondContact OD2-N 3.06Å; D198-F203 HydrophobicContact CB-CB 4.25Å; D198-F203 PolarHBondContact OD1-N 3.02Å; D198-F203 WeakPolarHBondContact OD2-CB 3.37Å; D198-F203 PolarHBondContact OD2-N 3.26Å; D198-R260 IonicContact OD2-NH1 3.53Å
199Q82.8Confident86.4Confident202 Ų20249.3 Ų49.394%0.94426%0.256SS*.THydrogen-bonded Turntrans-66.9-24.2-178.9-69.3-177.6-7.500114.1
200S81.1Confident84.2Confident34 Ų3451.8 Ų51.824%0.23827%0.273CS..THydrogen-bonded Turntrans-112.614.9-174.8-620000112.7H149 D198 E202H149-S200 PolarHBondContact NE2-O 3.08Å; D198-S200 VanDerWaalsContact C-N 3.26Å; D198-S200 PolarHBondContact O-N 3.34Å; S200-E202 VanDerWaalsContact C-N 3.27Å; S200-E202 WeakPolarHBondContact CB-OE2 3.39Å; S200-E202 PolarHBondContact O-N 2.89Å
201E87.2Confident81.8Confident126 Ų12657 Ų5759%0.58932%0.315SS*.SBendtrans53.941.7177.8-68.2-167.2-158.300113.8D198 R260D198-E201 PolarHBondContact OD1-N 3.04Å; D198-E201 VanDerWaalsContact OD2-C 3.32Å; D198-E201 VanDerWaalsContact OD2-CA 3.24Å; D198-E201 WeakPolarHBondContact OD2-CA 3.25Å; E201-R260 PolarHBondContact O-NH1 3.4Å; E201-R260 VanDerWaalsContact O-NH1 3.15Å; E201-R260 IonicContact OE2-CZ 2.7Å; E201-R260 IonicContact OE2-NH2 3.38Å; E201-R260 PolarHBondContact OE2-NH2 3.05Å
202E90.3Very high79.2Confident1 Ų160.8 Ų60.81%0.00536%0.355CS..  trans-95.1-18.5-174.7-69.1179.185.600113.4G83 I84 Y85 H149 C151 D198 S200G83-E202 WeakPolarHBondContact CA-OE1 3.48Å; G83-E202 WeakPolarHBondContact CA-OE2 3.46Å; I84-E202 WeakPolarHBondContact CG1-OE2 3.27Å; I84-E202 VanDerWaalsContact N-CD 3.34Å; I84-E202 PolarHBondContact N-OE1 2.95Å; I84-E202 VanDerWaalsContact N-OE1 3.07Å; I84-E202 PolarHBondContact N-OE2 3.38Å; Y85-E202 HydrophobicContact CD2-CB 3.78Å; Y85-E202 HydrophobicContact CD2-CG 4.4Å; Y85-E202 WeakPolarHBondContact CD2-OE1 3.29Å; Y85-E202 HydrophobicContact CE2-CB 3.96Å; Y85-E202 PolarHBondContact N-OE1 3.41Å; Y85-E202 VanDerWaalsContact N-OE1 3.12Å; H149-E202 WeakPolarHBondContact NE2-CG 3.43Å; C151-E202 PolarHBondContact N-O 2.95Å; C151-E202 PolarHBondContact SG-O 3.25Å; C151-E202 VanDerWaalsContact SG-O 3.32Å; D198-E202 VanDerWaalsContact CG-N 3.3Å; D198-E202 PolarHBondContact OD1-N 3.08Å; D198-E202 PolarHBondContact OD2-N 3.06Å; S200-E202 VanDerWaalsContact C-N 3.27Å; S200-E202 WeakPolarHBondContact CB-OE2 3.39Å; S200-E202 PolarHBondContact O-N 2.89Å
203F93.6Very high76.2Confident2 Ų263.1 Ų63.11%0.00938%0.38CS..SBendtrans-86.5156.5-176.7-164.8-132.5000111.6Q186 L187 L196 D198 I205 R260Q186-F203 HydrophobicContact CB-CD2 4.09Å; Q186-F203 HydrophobicContact CB-CE2 4.07Å; Q186-F203 HydrophobicContact CB-CG 4.48Å; Q186-F203 HydrophobicContact CB-CZ 4.43Å; L187-F203 HydrophobicContact CD2-CE2 4.34Å; L187-F203 HydrophobicContact CD2-CZ 3.87Å; L187-F203 HydrophobicContact CG-CE2 4.45Å; L187-F203 HydrophobicContact CG-CZ 4.33Å; L196-F203 HydrophobicContact CD1-CD1 3.82Å; L196-F203 HydrophobicContact CD1-CE1 4.35Å; D198-F203 HydrophobicContact CB-CB 4.25Å; D198-F203 PolarHBondContact OD1-N 3.02Å; D198-F203 WeakPolarHBondContact OD2-CB 3.37Å; D198-F203 PolarHBondContact OD2-N 3.26Å; F203-I205 HydrophobicContact CD1-CB 3.67Å; F203-I205 HydrophobicContact CD1-CG1 3.88Å; F203-I205 HydrophobicContact CE1-CB 3.7Å; F203-I205 HydrophobicContact CE1-CG1 3.4Å; F203-I205 VanDerWaalsContact CE1-CG1 3.4Å; F203-I205 HydrophobicContact CZ-CG1 4.13Å; F203-I205 PolarHBondContact O-N 2.7Å; F203-R260 PolarHBondContact O-NH1 3.27Å
204F93.7Very high73.5Confident1 Ų164.4 Ų64.40%0.00440%0.404CS..SBendtrans-81.7-0.7-179.560.1-101.9000113.7L187 L259 R260 M263 L264 A273 I276L187-F204 HydrophobicContact CD2-CZ 4.1Å; F204-L259 HydrophobicContact CD2-CD2 4.12Å; F204-L259 WeakPolarHBondContact O-CA 3.36Å; F204-R260 PolarHBondContact O-N 2.94Å; F204-M263 HydrophobicContact CB-CB 4.27Å; F204-L264 HydrophobicContact CB-CB 4.23Å; F204-L264 HydrophobicContact CB-CD1 4.36Å; F204-L264 HydrophobicContact CD1-CD1 4.2Å; F204-L264 HydrophobicContact CD2-CD1 4.2Å; F204-L264 HydrophobicContact CG-CD1 4Å; F204-A273 HydrophobicContact CD2-CB 4.37Å; F204-A273 HydrophobicContact CE2-CB 4.2Å; F204-I276 HydrophobicContact CE2-CD1 4.43Å; F204-I276 HydrophobicContact CE2-CG2 4.19Å; F204-I276 HydrophobicContact CZ-CD1 4.03Å; F204-I276 HydrophobicContact CZ-CG2 4.32Å
205I92.6Very high70.8Confident0 Ų068.6 Ų68.60%044%0.438CS..EExtended strand (participates in β ladder)trans-106.4127.1170.4-54.6-71.5000107.6W190 L196 F203 F257 L259 L277W190-I205 HydrophobicContact CZ2-CG2 4.01Å; L196-I205 HydrophobicContact CD1-CB 4.06Å; L196-I205 HydrophobicContact CD1-CG2 4.05Å; F203-I205 HydrophobicContact CD1-CB 3.67Å; F203-I205 HydrophobicContact CD1-CG1 3.88Å; F203-I205 HydrophobicContact CE1-CB 3.7Å; F203-I205 HydrophobicContact CE1-CG1 3.4Å; F203-I205 VanDerWaalsContact CE1-CG1 3.4Å; F203-I205 HydrophobicContact CZ-CG1 4.13Å; F203-I205 PolarHBondContact O-N 2.7Å; I205-F257 HydrophobicContact CG2-CB 4.37Å; I205-F257 HydrophobicContact CG2-CD1 4.45Å; I205-L259 HydrophobicContact CD1-CD2 3.59Å; I205-L277 HydrophobicContact CD1-CB 3.73Å; I205-L277 HydrophobicContact CD1-CD1 3.78Å; I205-L277 HydrophobicContact CD1-CG 4.32Å; I205-L277 HydrophobicContact CG2-CD1 3.98Å
206K90.3Very high67.9Low76 Ų7668.4 Ų68.433%0.3345%0.45SS..EExtended strand (participates in β ladder)trans-119.1146.6174.967.5-179.8178.9-176.70110.7F257 S258 R260K206-F257 CarbonylContact O-C 3.53Å; K206-F257 VanDerWaalsContact O-CA 3.23Å; K206-F257 WeakPolarHBondContact O-CA 3.39Å; K206-S258 WeakPolarHBondContact CE-OG 3.44Å; K206-S258 WeakPolarHBondContact CG-O 3.21Å; K206-S258 VanDerWaalsContact CG-OG 3.3Å; K206-S258 WeakPolarHBondContact CG-OG 3.45Å; K206-S258 PolarHBondContact N-O 2.88Å; K206-S258 PolarHBondContact O-N 3.36Å; K206-R260 HydrophobicContact CD-CB 4.42Å
207Q85.9Confident64.9Low103 Ų10372.7 Ų72.748%0.48147%0.474SS..EExtended strand (participates in β ladder)trans-77.7125.1168-166.3175.4-1.500108.7L196 S210 Q256 F257L196-Q207 HydrophobicContact CD2-CB 4.29Å; Q207-S210 PolarHBondContact NE2-OG 3.3Å; Q207-Q256 CarbonylContact C-O 3.59Å; Q207-Q256 WeakPolarHBondContact CA-O 3.37Å; Q207-Q256 WeakPolarHBondContact CG-O 3.25Å; Q207-F257 HydrophobicContact CB-CD1 4.05Å; Q207-F257 HydrophobicContact CB-CE1 3.94Å; Q207-F257 HydrophobicContact CG-CD1 4.17Å; Q207-F257 HydrophobicContact CG-CE1 3.81Å; Q207-F257 HydrophobicContact CG-CZ 4.34Å
208G73.3Confident62.2Low10 Ų1076.6 Ų76.610%0.10349%0.489CS..  trans-67.5165.4171.100000111.7S210 Q256G208-S210 PolarHBondContact O-N 3.33Å; G208-Q256 PolarHBondContact N-O 2.75Å
209P60.6Low59.2Low110 Ų11082.2 Ų82.271%0.71452%0.519SS*.  trans-57.2113175.523.5-31.1000108.8A211P209-A211 PolarHBondContact O-N 3.49Å
210S46.5Very low56.6Low63 Ų6381.3 Ų81.344%0.44152%0.515SS..  trans-58.2140.5173.9-71.40000108.3Q207 G208 G212 G213Q207-S210 PolarHBondContact NE2-OG 3.3Å; G208-S210 PolarHBondContact O-N 3.33Å; S210-G212 PolarHBondContact O-N 3.48Å; S210-G213 PolarHBondContact O-N 2.91Å; S210-G213 VanDerWaalsContact O-N 3.14Å
211A41.7Very low54Low109 Ų10988.8 Ų88.890%0.90155%0.546SS*.THydrogen-bonded Turntrans-63.128.6-178.300000115.4P209P209-A211 PolarHBondContact O-N 3.49Å
212G35.7Very low51.2Low80 Ų8092 Ų9283%0.82556%0.562SS**THydrogen-bonded Turntrans-145.312.4174.800000114.7S210S210-G212 PolarHBondContact O-N 3.48Å
213G25.5Very low48.3Very low53 Ų53100.8 Ų100.855%0.54660%0.602SS.*SBendtrans-115.5121.2175.700000111S210 A215S210-G213 PolarHBondContact O-N 2.91Å; S210-G213 VanDerWaalsContact O-N 3.14Å; G213-A215 PolarHBondContact O-N 3.46Å
214A28.8Very low45Very low105 Ų105107.9 Ų107.987%0.86864%0.64SS**  trans-43.7126.1178.300000112.1A216A214-A216 PolarHBondContact O-N 3.39Å; A214-A216 VanDerWaalsContact O-N 3.1Å
215A27.9Very low42Very low95 Ų95115.7 Ų115.779%0.78568%0.681SS**  trans-55115.4172.200000109.2G213G213-A215 PolarHBondContact O-N 3.46Å
216A28.5Very low39Very low92 Ų92118.6 Ų118.676%0.7671%0.711SS**  trans-76.6122.2164.900000107.4A214 Q218A214-A216 PolarHBondContact O-N 3.39Å; A214-A216 VanDerWaalsContact O-N 3.1Å; A216-Q218 PolarHBondContact O-N 3.24Å
217N25.4Very low36.2Very low140 Ų140123.7 Ų123.775%0.74974%0.741SS**  trans-42.2124176.9-63.6-11.7000111.8
218Q28Very low33.6Very low180 Ų180122.7 Ų122.784%0.84176%0.758SS**  trans-99108.7153-74-177.5-7.400106A216 E220A216-Q218 PolarHBondContact O-N 3.24Å; Q218-E220 PolarHBondContact O-N 3.49Å
219D24.2Very low31.5Very low145 Ų145125.9 Ų125.978%0.77579%0.791SS**  trans-68.6104.7172.7-64.8-42.7000108.1
220E28.4Very low30.6Very low182 Ų182129.2 Ų129.285%0.8580%0.802SS**  trans-91.7110.7159.3-71.6-169.5167.200107.8Q218 E222Q218-E220 PolarHBondContact O-N 3.49Å; E220-E222 PolarHBondContact O-N 2.99Å
221E25.9Very low30.6Very low191 Ų191131.8 Ų131.889%0.89382%0.82SS**  trans-69.7100.2173.1-68.9177.6156.600109.5
222E28.2Very low30.5Very low195 Ų195128.9 Ų128.991%0.91180%0.801SS**  trans-97.3107.6165.2-115.9-173.8170.500109.8E220 D224E220-E222 PolarHBondContact O-N 2.99Å; E222-D224 PolarHBondContact O-N 2.91Å
223E28.8Very low30.5Very low185 Ų185132.9 Ų132.986%0.86480%0.796SS**  trans-71106.5172.4-75.6-174.3150.700110.9L225E223-L225 PolarHBondContact O-N 3.01Å
224D25.8Very low31Very low150 Ų150137.6 Ų137.680%0.80280%0.804SS**  trans-74.9107.2171.1-174.620.5000111.1E222E222-D224 PolarHBondContact O-N 2.91Å
225L30.4Very low31.5Very low165 Ų165138.8 Ų138.886%0.86480%0.795SS**  trans-103.394164.7-75.1173.3000109.6E223E223-L225 PolarHBondContact O-N 3.01Å
226G30.2Very low32Very low61 Ų61142.5 Ų142.563%0.62979%0.788SS**  trans-65.8141.9178.100000114.4
227L31.2Very low32.5Very low183 Ų183143.1 Ų143.196%0.95878%0.776SS**  trans-160.5131.1146-99.2163.7000109.1
228G30.9Very low33.2Very low82 Ų82141.5 Ų141.585%0.84577%0.766SS**  trans-82.4165.7-167.700000116.7
229G28.4Very low33.6Very low77 Ų77138.9 Ų138.979%0.79475%0.754SS**  trans150.7108.616800000112.3S231G229-S231 PolarHBondContact O-N 2.87Å
230L42.4Very low34Very low180 Ų180135.2 Ų135.294%0.94273%0.734SS**  trans-61.3116.3176.7-68.9161.9000111.2
231S45.6Very low34.5Very low118 Ų118131.6 Ų131.683%0.82572%0.72SS**SBendtrans175.6126.8157.5171.80000108.4G229G229-S231 PolarHBondContact O-N 2.87Å
232G39.6Very low35.1Very low48 Ų48129.5 Ų129.550%0.49570%0.704SS.*SBendtrans98-27.4172.700000117L235 R236G232-L235 PolarHBondContact O-N 2.84Å; G232-R236 PolarHBondContact O-N 3.27Å
233K37.5Very low35.4Very low163 Ų163123.7 Ų123.771%0.70968%0.679SS**Hα-helixtrans-67.8-38.9-177.7-75.5-171.6173.3-171.10114.5L235 R236 E237K233-L235 VanDerWaalsContact C-N 3.32Å; K233-L235 PolarHBondContact O-N 3.47Å; K233-R236 PolarHBondContact O-N 2.95Å; K233-E237 WeakPolarHBondContact O-CB 3.36Å; K233-E237 VanDerWaalsContact O-CG 3.29Å; K233-E237 WeakPolarHBondContact O-CG 3.26Å; K233-E237 PolarHBondContact O-N 3.5Å
234Q35.9Very low35.8Very low153 Ų153118.9 Ų118.972%0.71566%0.659SS**Hα-helixtrans-69.6-22178.5-76.9172.8-49.500114.8
235L39.3Very low36.3Very low130 Ų130117.4 Ų117.468%0.68165%0.647SS**Hα-helixtrans-87.9-26.6173.3-91.5154.9000112G232 K233 Q239G232-L235 PolarHBondContact O-N 2.84Å; K233-L235 VanDerWaalsContact C-N 3.32Å; K233-L235 PolarHBondContact O-N 3.47Å; L235-Q239 PolarHBondContact O-N 3.34Å
236R38Very low36.6Very low173 Ų173113 Ų11365%0.65362%0.621SS**Hα-helixtrans-77.7-39.6173.3-134.7172.9-172.8174.3-1.7111G232 K233 L238 Q239 D240G232-R236 PolarHBondContact O-N 3.27Å; K233-R236 PolarHBondContact O-N 2.95Å; R236-L238 VanDerWaalsContact C-N 3.29Å; R236-L238 PolarHBondContact O-N 3.42Å; R236-Q239 CarbonylContact O-C 3.57Å; R236-Q239 WeakPolarHBondContact O-CA 3.43Å; R236-Q239 PolarHBondContact O-N 3.37Å; R236-D240 VanDerWaalsContact O-CB 3.29Å; R236-D240 WeakPolarHBondContact O-CB 3.46Å; R236-D240 PolarHBondContact O-N 3.34Å
237E38Very low36.9Very low105 Ų105117 Ų11749%0.49162%0.624SS.*Hα-helixtrans-59.9-33.5174.2-77.6163.7-176.200113K233 L241K233-E237 WeakPolarHBondContact O-CB 3.36Å; K233-E237 VanDerWaalsContact O-CG 3.29Å; K233-E237 WeakPolarHBondContact O-CG 3.26Å; K233-E237 PolarHBondContact O-N 3.5Å; E237-L241 VanDerWaalsContact O-CB 3.24Å; E237-L241 WeakPolarHBondContact O-CB 3.44Å; E237-L241 WeakPolarHBondContact O-CD1 3.34Å; E237-L241 VanDerWaalsContact O-CG 3.3Å; E237-L241 WeakPolarHBondContact O-CG 3.37Å; E237-L241 PolarHBondContact O-N 3.35Å
238L40.3Very low37.2Very low105 Ų105113.5 Ų113.555%0.5561%0.606SS.*Hα-helixtrans-77.2-24172.9-74.3172.1000113.8R236R236-L238 VanDerWaalsContact C-N 3.29Å; R236-L238 PolarHBondContact O-N 3.42Å
239Q37Very low37.5Very low125 Ų125111.6 Ų111.658%0.58458%0.576SS**Hα-helixtrans-81-37.3170.1-78.5179.6-2.400111L235 R236 R242 L243L235-Q239 PolarHBondContact O-N 3.34Å; R236-Q239 CarbonylContact O-C 3.57Å; R236-Q239 WeakPolarHBondContact O-CA 3.43Å; R236-Q239 PolarHBondContact O-N 3.37Å; Q239-R242 PolarHBondContact O-N 3.16Å; Q239-L243 HydrophobicContact CB-CD1 4.49Å; Q239-L243 WeakPolarHBondContact O-CB 3.24Å; Q239-L243 WeakPolarHBondContact O-CD1 3.41Å; Q239-L243 WeakPolarHBondContact O-CG 3.45Å; Q239-L243 PolarHBondContact O-N 2.94Å
240D32.8Very low37.9Very low68 Ų68114.3 Ų114.336%0.36457%0.571SS.*Hα-helixtrans-74.7-39.1-178.4-67.8-23.9000110.9R236 R242 L243 I244R236-D240 VanDerWaalsContact O-CB 3.29Å; R236-D240 WeakPolarHBondContact O-CB 3.46Å; R236-D240 PolarHBondContact O-N 3.34Å; D240-R242 PolarHBondContact O-N 3.18Å; D240-L243 PolarHBondContact O-N 2.87Å; D240-L243 VanDerWaalsContact O-N 3.16Å; D240-I244 WeakPolarHBondContact O-CB 3.25Å; D240-I244 WeakPolarHBondContact O-CD1 3.42Å; D240-I244 WeakPolarHBondContact O-CG1 3.4Å; D240-I244 PolarHBondContact O-N 3.45Å
241L37.5Very low37.5Very low107 Ų107107.6 Ų107.656%0.5654%0.542SS*.Hα-helixtrans-60.3-30.4171.3-84.2159.5000113.2E237 E245E237-L241 VanDerWaalsContact O-CB 3.24Å; E237-L241 WeakPolarHBondContact O-CB 3.44Å; E237-L241 WeakPolarHBondContact O-CD1 3.34Å; E237-L241 VanDerWaalsContact O-CG 3.3Å; E237-L241 WeakPolarHBondContact O-CG 3.37Å; E237-L241 PolarHBondContact O-N 3.35Å; L241-E245 PolarHBondContact O-N 3.48Å
242R38.3Very low37.2Very low146 Ų146107 Ų10755%0.55154%0.535SS*.Hα-helixtrans-90.2-22.6175.7-71.8-175.2-178.2-174.51.8113.4Q239 D240 E246Q239-R242 PolarHBondContact O-N 3.16Å; D240-R242 PolarHBondContact O-N 3.18Å; R242-E246 PolarHBondContact O-N 3Å; R242-E246 VanDerWaalsContact O-N 3.16Å
243L34.8Very low37.3Very low73 Ų73106.3 Ų106.338%0.38252%0.523SS..Hα-helixtrans-74.6-32.7169.2-75.5157.7000110.9Q239 D240 E245 E246 E247Q239-L243 HydrophobicContact CB-CD1 4.49Å; Q239-L243 WeakPolarHBondContact O-CB 3.24Å; Q239-L243 WeakPolarHBondContact O-CD1 3.41Å; Q239-L243 WeakPolarHBondContact O-CG 3.45Å; Q239-L243 PolarHBondContact O-N 2.94Å; D240-L243 PolarHBondContact O-N 2.87Å; D240-L243 VanDerWaalsContact O-N 3.16Å; L243-E245 VanDerWaalsContact C-N 3.33Å; L243-E246 VanDerWaalsContact CD2-OE2 3.27Å; L243-E246 WeakPolarHBondContact CD2-OE2 3.49Å; L243-E246 CarbonylContact O-C 3.47Å; L243-E246 WeakPolarHBondContact O-CA 3.06Å; L243-E246 WeakPolarHBondContact O-CB 3.32Å; L243-E246 PolarHBondContact O-N 3.3Å; L243-E246 VanDerWaalsContact O-N 3.08Å; L243-E247 PolarHBondContact O-N 3.46Å
244I37.2Very low37.7Very low85 Ų85105.6 Ų105.644%0.43653%0.526SS..Hα-helixtrans-66.3-35.7171.4-68.1160.7000110.7D240 N248D240-I244 WeakPolarHBondContact O-CB 3.25Å; D240-I244 WeakPolarHBondContact O-CD1 3.42Å; D240-I244 WeakPolarHBondContact O-CG1 3.4Å; D240-I244 PolarHBondContact O-N 3.45Å; I244-N248 VanDerWaalsContact O-CB 3.25Å; I244-N248 WeakPolarHBondContact O-CB 3.29Å; I244-N248 VanDerWaalsContact O-CG 3.32Å; I244-N248 PolarHBondContact O-N 2.77Å; I244-N248 PolarHBondContact O-ND2 3.06Å
245E37.1Very low38.7Very low119 Ų119102.6 Ų102.656%0.55651%0.512SS*.Hα-helixtrans-65.8-37.6168.2-75.5178.7166.400111.4L241 L243 N248 M249L241-E245 PolarHBondContact O-N 3.48Å; L243-E245 VanDerWaalsContact C-N 3.33Å; E245-N248 PolarHBondContact O-N 3.47Å; E245-M249 WeakPolarHBondContact O-CB 3.46Å; E245-M249 WeakPolarHBondContact O-CG 3.33Å; E245-M249 PolarHBondContact O-N 3.37Å
246E36.3Very low40.2Very low71 Ų7199.6 Ų99.633%0.33250%0.495SS..Hα-helixtrans-66.4-40.1174-75.8173.5163.600112.9R242 L243 M249 L250 K578R242-E246 PolarHBondContact O-N 3Å; R242-E246 VanDerWaalsContact O-N 3.16Å; L243-E246 VanDerWaalsContact CD2-OE2 3.27Å; L243-E246 WeakPolarHBondContact CD2-OE2 3.49Å; L243-E246 CarbonylContact O-C 3.47Å; L243-E246 WeakPolarHBondContact O-CA 3.06Å; L243-E246 WeakPolarHBondContact O-CB 3.32Å; L243-E246 PolarHBondContact O-N 3.3Å; L243-E246 VanDerWaalsContact O-N 3.08Å; E246-M249 PolarHBondContact O-N 3.38Å; E246-L250 WeakPolarHBondContact O-CB 3.43Å; E246-L250 WeakPolarHBondContact O-CD1 3.49Å; E246-L250 VanDerWaalsContact O-CG 3.31Å; E246-L250 WeakPolarHBondContact O-CG 3.45Å; E246-L250 PolarHBondContact O-N 2.94Å; E246-L250 VanDerWaalsContact O-N 3.09Å; E246-K578 VanDerWaalsContact CD-NZ 3.28Å; E246-K578 WeakPolarHBondContact OE1-CE 3.37Å; E246-K578 IonicContact OE1-NZ 3.46Å; E246-K578 PolarHBondContact OE1-NZ 3.43Å; E246-K578 VanDerWaalsContact OE1-NZ 3.08Å; E246-K578 IonicContact OE2-NZ 2.62Å; E246-K578 PolarHBondContact OE2-NZ 3.1Å
247E36.2Very low42.5Very low145 Ų14591.8 Ų91.868%0.67847%0.465SS*.Hα-helixtrans-68.3-39.5173.6-97.7-176.5158.300112.2L243 L250 A251L243-E247 PolarHBondContact O-N 3.46Å; E247-L250 CarbonylContact O-C 3.47Å; E247-L250 PolarHBondContact O-N 2.89Å; E247-A251 WeakPolarHBondContact O-CA 3.43Å; E247-A251 PolarHBondContact O-N 3.49Å
248N37.8Very low44.9Very low111 Ų11188 Ų8859%0.59445%0.45SS*.Hα-helixtrans-72.4-29.3174.3-75.8-34.9000112.9I244 E245 L250 A251I244-N248 VanDerWaalsContact O-CB 3.25Å; I244-N248 WeakPolarHBondContact O-CB 3.29Å; I244-N248 VanDerWaalsContact O-CG 3.32Å; I244-N248 PolarHBondContact O-N 2.77Å; I244-N248 PolarHBondContact O-ND2 3.06Å; E245-N248 PolarHBondContact O-N 3.47Å; N248-L250 VanDerWaalsContact C-N 3.25Å; N248-L250 PolarHBondContact O-N 3.33Å; N248-A251 WeakPolarHBondContact O-CB 3.4Å; N248-A251 PolarHBondContact O-N 3Å
249M37.7Very low47.3Very low41 Ų4184.4 Ų84.420%0.20243%0.432CS..Hα-helixtrans-72.4-20.4172.2-73-93.2-88.800112.5E245 E246 K475 V478E245-M249 WeakPolarHBondContact O-CB 3.46Å; E245-M249 WeakPolarHBondContact O-CG 3.33Å; E245-M249 PolarHBondContact O-N 3.37Å; E246-M249 PolarHBondContact O-N 3.38Å; M249-K475 WeakPolarHBondContact O-CE 3.5Å; M249-K475 HydrophobicContact SD-CG 4.36Å; M249-V478 HydrophobicContact CE-CB 3.87Å; M249-V478 HydrophobicContact CE-CG1 3.83Å; M249-V478 HydrophobicContact CE-CG2 3.56Å; M249-V478 HydrophobicContact SD-CB 4.42Å; M249-V478 HydrophobicContact SD-CG2 3.61Å
250L36Very low49.9Very low134 Ų13479.2 Ų79.270%0.70241%0.407SS*.SBendtrans-103.8-4.2173.6-69.5168000112.7E246 E247 N248 P252E246-L250 WeakPolarHBondContact O-CB 3.43Å; E246-L250 WeakPolarHBondContact O-CD1 3.49Å; E246-L250 VanDerWaalsContact O-CG 3.31Å; E246-L250 WeakPolarHBondContact O-CG 3.45Å; E246-L250 PolarHBondContact O-N 2.94Å; E246-L250 VanDerWaalsContact O-N 3.09Å; E247-L250 CarbonylContact O-C 3.47Å; E247-L250 PolarHBondContact O-N 2.89Å; N248-L250 VanDerWaalsContact C-N 3.25Å; N248-L250 PolarHBondContact O-N 3.33Å; L250-P252 WeakPolarHBondContact O-CD 3.32Å; L250-P252 VanDerWaalsContact O-N 3.15Å
251A34.6Very low52.5Low39 Ų3980.6 Ų80.632%0.32242%0.418SS..  trans-58.9122.4-179.100000108.2E247 N248 S253E247-A251 WeakPolarHBondContact O-CA 3.43Å; E247-A251 PolarHBondContact O-N 3.49Å; N248-A251 WeakPolarHBondContact O-CB 3.4Å; N248-A251 PolarHBondContact O-N 3Å; A251-S253 PolarHBondContact O-N 3.46Å
252P38.3Very low55Low106 Ų10680.5 Ų80.569%0.68842%0.415SS*.  trans-57.7135.1176.522.5-29.6000107.5L250 L254L250-P252 WeakPolarHBondContact O-CD 3.32Å; L250-P252 VanDerWaalsContact O-N 3.15Å; P252-L254 PolarHBondContact O-N 2.74Å
253S42.8Very low57.6Low33 Ų3374.5 Ų74.523%0.23139%0.393CS..  trans-39.5131.5165.9520000108.3A251 Q255A251-S253 PolarHBondContact O-N 3.46Å; S253-Q255 VanDerWaalsContact O-CG 3.23Å; S253-Q255 WeakPolarHBondContact O-CG 3.42Å; S253-Q255 PolarHBondContact O-N 2.89Å
254L45.6Very low60.4Low149 Ų14972.1 Ų72.178%0.7838%0.38SS*.  trans-48.393.3173.5-77.9156.8000108.8P252 Q256P252-L254 PolarHBondContact O-N 2.74Å; L254-Q256 PolarHBondContact O-N 2.94Å
255Q56.4Low63.1Low90 Ų9068.1 Ų68.142%0.42136%0.36SS..  trans-75.4118.8-174-66-176.1-31.200105.5S253 F257S253-Q255 VanDerWaalsContact O-CG 3.23Å; S253-Q255 WeakPolarHBondContact O-CG 3.42Å; S253-Q255 PolarHBondContact O-N 2.89Å; Q255-F257 WeakPolarHBondContact CB-O 3.45Å; Q255-F257 PolarHBondContact O-N 3.33Å
256Q71.2Confident65.7Low67 Ų6766.1 Ų66.131%0.31336%0.359SS..SBendtrans-60.6-25.5177.6-174.4-178.7-13.400110.8Q207 G208 L254Q207-Q256 CarbonylContact C-O 3.59Å; Q207-Q256 WeakPolarHBondContact CA-O 3.37Å; Q207-Q256 WeakPolarHBondContact CG-O 3.25Å; G208-Q256 PolarHBondContact N-O 2.75Å; L254-Q256 PolarHBondContact O-N 2.94Å
257F85.7Confident68.4Low8 Ų863.8 Ų63.84%0.03535%0.347CS..EExtended strand (participates in β ladder)trans-131.4149.4174.1-57.7-86.5000110.8W190 L196 I205 K206 Q207 Q255 L277 E281 Q284W190-F257 HydrophobicContact CH2-CB 4.47Å; W190-F257 AromaticContact CH2-CD1 3.66Å; W190-F257 HydrophobicContact CH2-CD1 3.66Å; W190-F257 AromaticContact CH2-CD2 3.87Å; W190-F257 HydrophobicContact CH2-CD2 3.87Å; W190-F257 AromaticContact CH2-CE1 3.74Å; W190-F257 HydrophobicContact CH2-CE1 3.74Å; W190-F257 AromaticContact CH2-CE2 3.93Å; W190-F257 HydrophobicContact CH2-CE2 3.93Å; W190-F257 AromaticContact CH2-CG 3.73Å; W190-F257 HydrophobicContact CH2-CG 3.73Å; W190-F257 AromaticContact CH2-CZ 3.87Å; W190-F257 HydrophobicContact CH2-CZ 3.87Å; W190-F257 HydrophobicContact CZ2-CD1 4.43Å; W190-F257 HydrophobicContact CZ2-CG 4.3Å; W190-F257 HydrophobicContact CZ3-CD1 4.2Å; W190-F257 AromaticContact CZ3-CE1 3.89Å; W190-F257 HydrophobicContact CZ3-CE1 3.89Å; W190-F257 HydrophobicContact CZ3-CZ 4.06Å; L196-F257 HydrophobicContact CD2-CD1 4.43Å; L196-F257 HydrophobicContact CD2-CE1 4.31Å; I205-F257 HydrophobicContact CG2-CB 4.37Å; I205-F257 HydrophobicContact CG2-CD1 4.45Å; K206-F257 CarbonylContact O-C 3.53Å; K206-F257 VanDerWaalsContact O-CA 3.23Å; K206-F257 WeakPolarHBondContact O-CA 3.39Å; Q207-F257 HydrophobicContact CB-CD1 4.05Å; Q207-F257 HydrophobicContact CB-CE1 3.94Å; Q207-F257 HydrophobicContact CG-CD1 4.17Å; Q207-F257 HydrophobicContact CG-CE1 3.81Å; Q207-F257 HydrophobicContact CG-CZ 4.34Å; Q255-F257 WeakPolarHBondContact CB-O 3.45Å; Q255-F257 PolarHBondContact O-N 3.33Å; F257-L277 HydrophobicContact CB-CD1 3.63Å; F257-E281 HydrophobicContact CB-CG 3.99Å; F257-E281 HydrophobicContact CD2-CG 3.89Å; F257-E281 HydrophobicContact CG-CG 4.3Å; F257-Q284 HydrophobicContact CE2-CG 4.01Å; F257-Q284 HydrophobicContact CZ-CG 3.95Å
258S89.1Confident71.2Confident25 Ų2557 Ų5718%0.17532%0.316CS..EExtended strand (participates in β ladder)trans-147.1161.9178.753.50000111.3K206K206-S258 WeakPolarHBondContact CE-OG 3.44Å; K206-S258 WeakPolarHBondContact CG-O 3.21Å; K206-S258 VanDerWaalsContact CG-OG 3.3Å; K206-S258 WeakPolarHBondContact CG-OG 3.45Å; K206-S258 PolarHBondContact N-O 2.88Å; K206-S258 PolarHBondContact O-N 3.36Å
259L90.6Very high74Confident30 Ų3053.4 Ų53.416%0.15730%0.299CS..EExtended strand (participates in β ladder)trans-77.8132.7175.2-68.6175.8000111.2F204 I205 I270 A273 E274 L277F204-L259 HydrophobicContact CD2-CD2 4.12Å; F204-L259 WeakPolarHBondContact O-CA 3.36Å; I205-L259 HydrophobicContact CD1-CD2 3.59Å; L259-I270 HydrophobicContact CD1-CG2 4.3Å; L259-A273 HydrophobicContact CD1-CB 4.14Å; L259-A273 HydrophobicContact CD2-CB 3.83Å; L259-E274 HydrophobicContact CD1-CG 3.94Å; L259-E274 WeakPolarHBondContact CD1-OE1 3.33Å; L259-L277 HydrophobicContact CD2-CB 4.39Å; L259-L277 HydrophobicContact CG-CD2 4.14Å
260R90.9Very high76.7Confident16 Ų1656.4 Ų56.46%0.0632%0.315CS..  trans-95.191.6167.7-170.1-174.6-78.2127.1-8.6108D198 E201 F203 F204 K206 E262 M263 L264D198-R260 IonicContact OD2-NH1 3.53Å; E201-R260 PolarHBondContact O-NH1 3.4Å; E201-R260 VanDerWaalsContact O-NH1 3.15Å; E201-R260 IonicContact OE2-CZ 2.7Å; E201-R260 IonicContact OE2-NH2 3.38Å; E201-R260 PolarHBondContact OE2-NH2 3.05Å; F203-R260 PolarHBondContact O-NH1 3.27Å; F204-R260 PolarHBondContact O-N 2.94Å; K206-R260 HydrophobicContact CD-CB 4.42Å; R260-E262 WeakPolarHBondContact CD-OE1 3.48Å; R260-E262 HydrophobicContact CG-CG 3.79Å; R260-E262 WeakPolarHBondContact CG-OE1 3.41Å; R260-E262 IonicContact NE-OE1 3.49Å; R260-E262 PolarHBondContact O-N 3.15Å; R260-M263 HydrophobicContact CB-CB 4.45Å; R260-M263 HydrophobicContact CG-CB 4.2Å; R260-M263 HydrophobicContact CG-CG 3.99Å; R260-M263 PolarHBondContact O-N 3.49Å; R260-L264 PolarHBondContact O-N 3Å
261T89.1Confident79.4Confident97 Ų9756.7 Ų56.760%0.59531%0.306SS*.G310 helixtrans-63.5-29-172.754.80000112.4M263 L264T261-M263 PolarHBondContact O-N 3.02Å; T261-L264 PolarHBondContact O-N 3.31Å
262E89.7Confident82.3Confident106 Ų10654.8 Ų54.850%0.49529%0.291SS..G310 helixtrans-68.7-17.9175.366.8-89.9-164.200114.6Q152 R260Q152-E262 WeakPolarHBondContact CG-O 3.3Å; Q152-E262 PolarHBondContact NE2-O 2.89Å; R260-E262 WeakPolarHBondContact CD-OE1 3.48Å; R260-E262 HydrophobicContact CG-CG 3.79Å; R260-E262 WeakPolarHBondContact CG-OE1 3.41Å; R260-E262 IonicContact NE-OE1 3.49Å; R260-E262 PolarHBondContact O-N 3.15Å
263M91.6Very high85Confident19 Ų1949.8 Ų49.89%0.09426%0.258CS..G310 helixtrans-105.11.4176.9-67.8-61.1177.300112.5H149 C151 Q152 F204 R260 T261 P265H149-M263 HydrophobicContact CB-CE 4.38Å; C151-M263 HydrophobicContact CB-CB 4.37Å; C151-M263 WeakPolarHBondContact CB-O 3.4Å; Q152-M263 HydrophobicContact CG-SD 3.9Å; F204-M263 HydrophobicContact CB-CB 4.27Å; R260-M263 HydrophobicContact CB-CB 4.45Å; R260-M263 HydrophobicContact CG-CB 4.2Å; R260-M263 HydrophobicContact CG-CG 3.99Å; R260-M263 PolarHBondContact O-N 3.49Å; T261-M263 PolarHBondContact O-N 3.02Å; M263-P265 WeakPolarHBondContact O-CD 3.48Å
264L93.9Very high87.4Confident23 Ų2352.9 Ų52.912%0.1227%0.269CS..SBendtrans-83.3118.6178.4-179.265.6000110.1F204 R260 T261 S266 I268 I270 A273F204-L264 HydrophobicContact CB-CB 4.23Å; F204-L264 HydrophobicContact CB-CD1 4.36Å; F204-L264 HydrophobicContact CD1-CD1 4.2Å; F204-L264 HydrophobicContact CD2-CD1 4.2Å; F204-L264 HydrophobicContact CG-CD1 4Å; R260-L264 PolarHBondContact O-N 3Å; T261-L264 PolarHBondContact O-N 3.31Å; L264-S266 PolarHBondContact O-N 3.41Å; L264-I268 HydrophobicContact CD1-CB 4.23Å; L264-I268 HydrophobicContact CD1-CG2 4.16Å; L264-I270 HydrophobicContact CD2-CB 4.4Å; L264-I270 HydrophobicContact CD2-CG1 3.71Å; L264-A273 HydrophobicContact CD1-CB 3.77Å; L264-A273 HydrophobicContact CD2-CB 4.09Å
265P94.1Very high89.6Confident1 Ų147.6 Ų47.61%0.00624%0.24CC..  trans-62.8130.8176.1-20.633000111.3C151 L154 M263 Y267 I268C151-P265 HydrophobicContact CB-CG 4.26Å; L154-P265 HydrophobicContact CB-CG 4.39Å; L154-P265 HydrophobicContact CD1-CG 4.06Å; M263-P265 WeakPolarHBondContact O-CD 3.48Å; P265-Y267 HydrophobicContact CB-CD1 3.97Å; P265-Y267 HydrophobicContact CB-CE1 3.38Å; P265-Y267 HydrophobicContact CB-CE2 4.06Å; P265-Y267 VanDerWaalsContact CB-CZ 3.41Å; P265-Y267 HydrophobicContact CG-CE1 4.47Å; P265-Y267 PolarHBondContact O-N 3.09Å; P265-I268 HydrophobicContact CG-CD1 4.31Å; P265-I268 PolarHBondContact O-N 3.06Å
266S92.6Very high91.5Very high78 Ų7843.3 Ų43.355%0.54522%0.22SC..THydrogen-bonded Turntrans-61.9-19.5-172.649.80000115.9E155 L264 I268E155-S266 WeakPolarHBondContact OE1-CB 3.43Å; E155-S266 PolarHBondContact OE1-OG 3.29Å; L264-S266 PolarHBondContact O-N 3.41Å; S266-I268 VanDerWaalsContact C-N 3.29Å
267Y92.9Very high92.5Very high21 Ų2140.3 Ų40.38%0.08221%0.206CC..THydrogen-bonded Turntrans-80.3-7.5173.258-95.8000113.5L154 Y158 H180 P265 F320L154-Y267 WeakPolarHBondContact CB-OH 3.42Å; Y158-Y267 AromaticContact CD1-CD1 3.44Å; Y158-Y267 HydrophobicContact CD1-CD1 3.44Å; Y158-Y267 VanDerWaalsContact CD1-CD1 3.44Å; Y158-Y267 HydrophobicContact CD1-CE1 4.14Å; Y158-Y267 HydrophobicContact CD1-CG 4.17Å; Y158-Y267 AromaticContact CD2-CD1 3.95Å; Y158-Y267 HydrophobicContact CD2-CD1 3.95Å; Y158-Y267 HydrophobicContact CD2-CE1 4.2Å; Y158-Y267 HydrophobicContact CD2-CG 4.36Å; Y158-Y267 AromaticContact CE1-CD1 3.83Å; Y158-Y267 HydrophobicContact CE1-CD1 3.83Å; Y158-Y267 HydrophobicContact CE1-CG 4.1Å; Y158-Y267 HydrophobicContact CE2-CD1 4.29Å; Y158-Y267 HydrophobicContact CE2-CG 4.29Å; Y158-Y267 AromaticContact CG-CD1 3.5Å; Y158-Y267 HydrophobicContact CG-CD1 3.5Å; Y158-Y267 AromaticContact CG-CE1 3.77Å; Y158-Y267 HydrophobicContact CG-CE1 3.77Å; Y158-Y267 HydrophobicContact CG-CG 4.29Å; H180-Y267 AromaticContact NE2-CE2 3.77Å; H180-Y267 AromaticContact NE2-CZ 3.6Å; H180-Y267 PolarHBondContact NE2-OH 3.13Å; P265-Y267 HydrophobicContact CB-CD1 3.97Å; P265-Y267 HydrophobicContact CB-CE1 3.38Å; P265-Y267 HydrophobicContact CB-CE2 4.06Å; P265-Y267 VanDerWaalsContact CB-CZ 3.41Å; P265-Y267 HydrophobicContact CG-CE1 4.47Å; P265-Y267 PolarHBondContact O-N 3.09Å; Y267-F320 AromaticContact CD2-CD1 3.98Å; Y267-F320 HydrophobicContact CD2-CD1 3.98Å; Y267-F320 AromaticContact CD2-CE1 3.58Å; Y267-F320 HydrophobicContact CD2-CE1 3.58Å; Y267-F320 HydrophobicContact CD2-CZ 4.18Å; Y267-F320 HydrophobicContact CE2-CD1 4.15Å; Y267-F320 AromaticContact CE2-CE1 3.88Å; Y267-F320 HydrophobicContact CE2-CE1 3.88Å; Y267-F320 HydrophobicContact CE2-CZ 4.13Å
268I95.5Very high92.7Very high3 Ų340.8 Ų40.82%0.01521%0.208CC..SBendtrans-101.1112.8170.1-57.5179.6000107.8M183 L264 P265 S266 V272 F320 F325M183-I268 HydrophobicContact CE-CD1 4.39Å; M183-I268 HydrophobicContact SD-CD1 3.87Å; L264-I268 HydrophobicContact CD1-CB 4.23Å; L264-I268 HydrophobicContact CD1-CG2 4.16Å; P265-I268 HydrophobicContact CG-CD1 4.31Å; P265-I268 PolarHBondContact O-N 3.06Å; S266-I268 VanDerWaalsContact C-N 3.29Å; I268-V272 HydrophobicContact CG2-CB 4.32Å; I268-F320 HydrophobicContact CG1-CZ 4.3Å; I268-F325 HydrophobicContact CG2-CE1 4.31Å
269P95.6Very high92.8Very high36 Ų3639.6 Ų39.623%0.23420%0.2CC..  trans-62.1143.4178.2-25.336.3000112.4R271 V272 A273 L322P269-R271 HydrophobicContact CB-CG 3.69Å; P269-R271 PolarHBondContact O-N 3.46Å; P269-V272 HydrophobicContact CB-CG2 4.34Å; P269-V272 HydrophobicContact CG-CG2 4.45Å; P269-V272 WeakPolarHBondContact O-CB 3.33Å; P269-V272 PolarHBondContact O-N 3.38Å; P269-A273 PolarHBondContact O-N 3.29Å; P269-L322 HydrophobicContact CG-CD1 4.49Å; P269-L322 HydrophobicContact CG-CD2 4.07Å
270I94Very high92.7Very high104 Ų10438.2 Ų38.253%0.53319%0.192SC..Hα-helixtrans-53.5-39.7176.3-61.5170.2000111.2L259 L264 V272 A273 E274L259-I270 HydrophobicContact CD1-CG2 4.3Å; L264-I270 HydrophobicContact CD2-CB 4.4Å; L264-I270 HydrophobicContact CD2-CG1 3.71Å; I270-V272 PolarHBondContact O-N 3.3Å; I270-V272 VanDerWaalsContact O-N 3.1Å; I270-A273 WeakPolarHBondContact O-CA 3.45Å; I270-A273 WeakPolarHBondContact O-CB 3.44Å; I270-A273 PolarHBondContact O-N 3.47Å; I270-E274 HydrophobicContact CG2-CG 4.28Å; I270-E274 WeakPolarHBondContact O-CG 3.33Å; I270-E274 PolarHBondContact O-N 3.3Å
271R93.9Very high92.5Very high139 Ų13939.7 Ų39.753%0.52520%0.2SC..Hα-helixtrans-55.2-28.1175.265.3-177-176.793.214.9114.4P269 K275 E326P269-R271 HydrophobicContact CB-CG 3.69Å; P269-R271 PolarHBondContact O-N 3.46Å; R271-K275 WeakPolarHBondContact O-CG 3.22Å; R271-E326 IonicContact CZ-OE1 3.85Å; R271-E326 IonicContact CZ-OE2 3.95Å; R271-E326 IonicContact NH1-OE1 3.82Å; R271-E326 PolarHBondContact NH1-OE1 2.73Å; R271-E326 IonicContact NH1-OE2 3.89Å; R271-E326 PolarHBondContact NH1-OE2 2.71Å; R271-E326 IonicContact NH2-OE1 2.83Å; R271-E326 PolarHBondContact NH2-OE1 2.92Å; R271-E326 IonicContact NH2-OE2 3.9Å; R271-E326 PolarHBondContact NH2-OE2 2.89Å
272V95.5Very high92.3Very high0 Ų035.4 Ų35.40%017%0.174CC..Hα-helixtrans-84.7-36.6176.1-177.60000110.3I268 P269 I270 E274 K275 I276 F325 E326 I329I268-V272 HydrophobicContact CG2-CB 4.32Å; P269-V272 HydrophobicContact CB-CG2 4.34Å; P269-V272 HydrophobicContact CG-CG2 4.45Å; P269-V272 WeakPolarHBondContact O-CB 3.33Å; P269-V272 PolarHBondContact O-N 3.38Å; I270-V272 PolarHBondContact O-N 3.3Å; I270-V272 VanDerWaalsContact O-N 3.1Å; V272-E274 VanDerWaalsContact C-N 3.33Å; V272-E274 PolarHBondContact O-N 3.48Å; V272-K275 WeakPolarHBondContact O-CB 3.46Å; V272-K275 PolarHBondContact O-N 2.88Å; V272-I276 HydrophobicContact CG1-CD1 4.24Å; V272-I276 WeakPolarHBondContact O-CG1 3.23Å; V272-I276 PolarHBondContact O-N 3.26Å; V272-I276 VanDerWaalsContact O-N 3.11Å; V272-F325 HydrophobicContact CG1-CD1 4.3Å; V272-F325 HydrophobicContact CG1-CE1 3.77Å; V272-E326 HydrophobicContact CG2-CG 4.12Å; V272-I329 HydrophobicContact CG1-CG1 4.44Å; V272-I329 HydrophobicContact CG1-CG2 4.28Å
273A94.9Very high92.1Very high0 Ų030.4 Ų30.40%015%0.15CC..Hα-helixtrans-62.5-39174.900000112.2F204 L259 L264 P269 I270 K275 I276 L277F204-A273 HydrophobicContact CD2-CB 4.37Å; F204-A273 HydrophobicContact CE2-CB 4.2Å; L259-A273 HydrophobicContact CD1-CB 4.14Å; L259-A273 HydrophobicContact CD2-CB 3.83Å; L264-A273 HydrophobicContact CD1-CB 3.77Å; L264-A273 HydrophobicContact CD2-CB 4.09Å; P269-A273 PolarHBondContact O-N 3.29Å; I270-A273 WeakPolarHBondContact O-CA 3.45Å; I270-A273 WeakPolarHBondContact O-CB 3.44Å; I270-A273 PolarHBondContact O-N 3.47Å; A273-K275 VanDerWaalsContact C-N 3.34Å; A273-K275 PolarHBondContact O-N 3.44Å; A273-I276 WeakPolarHBondContact O-CB 3.37Å; A273-I276 PolarHBondContact O-N 2.87Å; A273-L277 PolarHBondContact O-N 2.67Å
274E92.1Very high91.8Very high98 Ų9830.5 Ų30.546%0.45815%0.151SC..Hα-helixtrans-60.1-41.2172.9-69-70.2177.200112.1L259 I270 V272 I276 L277 F278L259-E274 HydrophobicContact CD1-CG 3.94Å; L259-E274 WeakPolarHBondContact CD1-OE1 3.33Å; I270-E274 HydrophobicContact CG2-CG 4.28Å; I270-E274 WeakPolarHBondContact O-CG 3.33Å; I270-E274 PolarHBondContact O-N 3.3Å; V272-E274 VanDerWaalsContact C-N 3.33Å; V272-E274 PolarHBondContact O-N 3.48Å; E274-I276 VanDerWaalsContact C-N 3.33Å; E274-I276 PolarHBondContact O-N 2.88Å; E274-L277 PolarHBondContact O-N 3.02Å; E274-F278 WeakPolarHBondContact O-CB 3.12Å; E274-F278 PolarHBondContact O-N 3.48Å
275K93.4Very high91Very high39 Ų3931.3 Ų31.317%0.1715%0.154CC..Hα-helixtrans-62.2-41.1174.9-63.8170.3-177.9-178.50111.5R271 V272 A273 V279 E326 I329 D330 R333R271-K275 WeakPolarHBondContact O-CG 3.22Å; V272-K275 WeakPolarHBondContact O-CB 3.46Å; V272-K275 PolarHBondContact O-N 2.88Å; A273-K275 VanDerWaalsContact C-N 3.34Å; A273-K275 PolarHBondContact O-N 3.44Å; K275-V279 WeakPolarHBondContact O-CB 3.44Å; K275-V279 VanDerWaalsContact O-CG2 3.29Å; K275-V279 WeakPolarHBondContact O-CG2 3.25Å; K275-V279 PolarHBondContact O-N 2.9Å; K275-E326 IonicContact NZ-OE1 3.41Å; K275-E326 PolarHBondContact NZ-OE1 3.12Å; K275-I329 HydrophobicContact CB-CG2 3.99Å; K275-D330 VanDerWaalsContact CD-OD1 3.25Å; K275-D330 WeakPolarHBondContact CD-OD1 3.4Å; K275-D330 VanDerWaalsContact CE-OD1 3.23Å; K275-D330 WeakPolarHBondContact CE-OD1 3.3Å; K275-D330 VanDerWaalsContact NZ-CG 3.3Å; K275-D330 IonicContact NZ-OD1 3.47Å; K275-D330 PolarHBondContact NZ-OD1 2.9Å; K275-D330 IonicContact NZ-OD2 2.73Å; K275-D330 PolarHBondContact NZ-OD2 2.75Å; K275-D330 VanDerWaalsContact NZ-OD2 3.16Å; K275-R333 HydrophobicContact CB-CG 4.5Å
276I95.1Very high90Very high0 Ų032.2 Ų32.20%016%0.158CC..Hα-helixtrans-66.4-41.9177.9-67163.3000110.8L187 W190 M191 F204 V272 A273 E274 G280 F325 I329L187-I276 HydrophobicContact CD2-CD1 3.83Å; L187-I276 HydrophobicContact CD2-CG1 4.25Å; L187-I276 HydrophobicContact CD2-CG2 3.57Å; W190-I276 PolarHBondContact NE1-O 3.39Å; M191-I276 HydrophobicContact CE-CG1 4.49Å; M191-I276 HydrophobicContact CG-CG2 4.19Å; M191-I276 HydrophobicContact SD-CB 4.5Å; M191-I276 HydrophobicContact SD-CG1 4.05Å; M191-I276 HydrophobicContact SD-CG2 4.17Å; F204-I276 HydrophobicContact CE2-CD1 4.43Å; F204-I276 HydrophobicContact CE2-CG2 4.19Å; F204-I276 HydrophobicContact CZ-CD1 4.03Å; F204-I276 HydrophobicContact CZ-CG2 4.32Å; V272-I276 HydrophobicContact CG1-CD1 4.24Å; V272-I276 WeakPolarHBondContact O-CG1 3.23Å; V272-I276 PolarHBondContact O-N 3.26Å; V272-I276 VanDerWaalsContact O-N 3.11Å; A273-I276 WeakPolarHBondContact O-CB 3.37Å; A273-I276 PolarHBondContact O-N 2.87Å; E274-I276 VanDerWaalsContact C-N 3.33Å; E274-I276 PolarHBondContact O-N 2.88Å; I276-G280 PolarHBondContact O-N 3.38Å; I276-G280 VanDerWaalsContact O-N 3.14Å; I276-F325 HydrophobicContact CD1-CE1 4.36Å; I276-F325 HydrophobicContact CD1-CZ 3.95Å; I276-I329 HydrophobicContact CD1-CD1 4.27Å; I276-I329 HydrophobicContact CG1-CD1 4.03Å; I276-I329 HydrophobicContact CG1-CG1 4.42Å; I276-I329 HydrophobicContact CG1-CG2 3.93Å
277L92.4Very high89.1Confident4 Ų432.3 Ų32.32%0.02115%0.15CC..Hα-helixtrans-58.9-55.9174.4177.363.3000110W190 I205 F257 L259 A273 E274 V279 G280 E281W190-L277 HydrophobicContact CZ2-CD1 4.46Å; I205-L277 HydrophobicContact CD1-CB 3.73Å; I205-L277 HydrophobicContact CD1-CD1 3.78Å; I205-L277 HydrophobicContact CD1-CG 4.32Å; I205-L277 HydrophobicContact CG2-CD1 3.98Å; F257-L277 HydrophobicContact CB-CD1 3.63Å; L259-L277 HydrophobicContact CD2-CB 4.39Å; L259-L277 HydrophobicContact CG-CD2 4.14Å; A273-L277 PolarHBondContact O-N 2.67Å; E274-L277 PolarHBondContact O-N 3.02Å; L277-V279 VanDerWaalsContact C-N 3.33Å; L277-V279 PolarHBondContact O-N 3.03Å; L277-G280 PolarHBondContact O-N 2.97Å; L277-E281 HydrophobicContact CD1-CG 3.89Å; L277-E281 HydrophobicContact CG-CG 4.23Å; L277-E281 WeakPolarHBondContact O-CB 3.47Å; L277-E281 WeakPolarHBondContact O-CG 3.4Å; L277-E281 PolarHBondContact O-N 3.38Å
278F89.9Confident87.8Confident18 Ų1835.6 Ų35.68%0.07917%0.169CC..Hα-helixtrans-53.9-47179.5167.4-104.5000112.9E274 S282 R333 V336 A337 L340 F555 E556E274-F278 WeakPolarHBondContact O-CB 3.12Å; E274-F278 PolarHBondContact O-N 3.48Å; F278-S282 WeakPolarHBondContact CE2-OG 3.42Å; F278-S282 VanDerWaalsContact O-CB 3.31Å; F278-S282 WeakPolarHBondContact O-CB 3.26Å; F278-S282 PolarHBondContact O-N 3.19Å; F278-S282 PolarHBondContact O-OG 2.84Å; F278-R333 HydrophobicContact CD1-CG 4Å; F278-R333 HydrophobicContact CE1-CG 4.21Å; F278-V336 HydrophobicContact CE1-CG1 4.37Å; F278-A337 HydrophobicContact CE1-CB 4.4Å; F278-L340 HydrophobicContact CE2-CD1 4.2Å; F278-L340 HydrophobicContact CZ-CD1 3.82Å; F278-F555 AromaticContact CE2-CD1 4Å; F278-F555 HydrophobicContact CE2-CD1 4Å; F278-F555 HydrophobicContact CE2-CE1 4.29Å; F278-F555 HydrophobicContact CZ-CD1 4.09Å; F278-E556 HydrophobicContact CD1-CG 4.38Å; F278-E556 HydrophobicContact CD2-CG 4.25Å; F278-E556 HydrophobicContact CE1-CG 3.94Å; F278-E556 WeakPolarHBondContact CE1-OE2 3.32Å; F278-E556 HydrophobicContact CE2-CG 3.8Å; F278-E556 HydrophobicContact CZ-CG 3.63Å
279V91.1Very high86.3Confident0 Ų039.9 Ų39.90%019%0.189CC..Hα-helixtrans-59.5-51.7179.6164.50000111M191 K275 L277 S282 V283 I332 R333 V336M191-V279 HydrophobicContact CB-CG1 3.77Å; M191-V279 HydrophobicContact CE-CB 4.02Å; M191-V279 HydrophobicContact CE-CG1 3.74Å; M191-V279 HydrophobicContact CE-CG2 4.12Å; M191-V279 HydrophobicContact CG-CG1 3.95Å; K275-V279 WeakPolarHBondContact O-CB 3.44Å; K275-V279 VanDerWaalsContact O-CG2 3.29Å; K275-V279 WeakPolarHBondContact O-CG2 3.25Å; K275-V279 PolarHBondContact O-N 2.9Å; L277-V279 VanDerWaalsContact C-N 3.33Å; L277-V279 PolarHBondContact O-N 3.03Å; V279-S282 WeakPolarHBondContact O-CB 3.33Å; V279-S282 PolarHBondContact O-N 3.49Å; V279-V283 VanDerWaalsContact O-CG2 3.28Å; V279-V283 WeakPolarHBondContact O-CG2 3.38Å; V279-V283 PolarHBondContact O-N 3.39Å; V279-I332 HydrophobicContact CG1-CG2 3.76Å; V279-I332 HydrophobicContact CG2-CG2 4.41Å; V279-R333 HydrophobicContact CG2-CB 3.82Å; V279-R333 HydrophobicContact CG2-CG 4.14Å; V279-V336 HydrophobicContact CG1-CG2 4.26Å
280G89.4Confident84.3Confident0 Ų040.1 Ų40.10%019%0.188CC..Hα-helixtrans-72.2-34.4-176.900000113.2W190 I276 L277 S282 V283 Q284W190-G280 WeakPolarHBondContact O-CA 3.22Å; I276-G280 PolarHBondContact O-N 3.38Å; I276-G280 VanDerWaalsContact O-N 3.14Å; L277-G280 PolarHBondContact O-N 2.97Å; G280-S282 VanDerWaalsContact C-N 3.28Å; G280-S282 PolarHBondContact O-N 3.01Å; G280-V283 PolarHBondContact O-N 3.45Å; G280-Q284 WeakPolarHBondContact O-CB 3.12Å; G280-Q284 PolarHBondContact O-N 3.37Å
281E86Confident82.2Confident47 Ų4743.6 Ų43.622%0.2220%0.202CC..Hα-helixtrans-58.1-43.7170.8-74.5-170.3136.500111.2W190 F257 L277 M285W190-E281 HydrophobicContact CZ2-CG 4.24Å; W190-E281 VanDerWaalsContact CZ2-N 3.34Å; F257-E281 HydrophobicContact CB-CG 3.99Å; F257-E281 HydrophobicContact CD2-CG 3.89Å; F257-E281 HydrophobicContact CG-CG 4.3Å; L277-E281 HydrophobicContact CD1-CG 3.89Å; L277-E281 HydrophobicContact CG-CG 4.23Å; L277-E281 WeakPolarHBondContact O-CB 3.47Å; L277-E281 WeakPolarHBondContact O-CG 3.4Å; L277-E281 PolarHBondContact O-N 3.38Å; E281-M285 VanDerWaalsContact O-CB 3.29Å; E281-M285 WeakPolarHBondContact O-CB 3.46Å; E281-M285 PolarHBondContact O-N 2.99Å
282S85Confident79.8Confident7 Ų740 Ų405%0.04920%0.198CC..Hα-helixtrans-63.4-48.9178.2-59.40000111.3F278 V279 G280 M285 F286 L340F278-S282 WeakPolarHBondContact CE2-OG 3.42Å; F278-S282 VanDerWaalsContact O-CB 3.31Å; F278-S282 WeakPolarHBondContact O-CB 3.26Å; F278-S282 PolarHBondContact O-N 3.19Å; F278-S282 PolarHBondContact O-OG 2.84Å; V279-S282 WeakPolarHBondContact O-CB 3.33Å; V279-S282 PolarHBondContact O-N 3.49Å; G280-S282 VanDerWaalsContact C-N 3.28Å; G280-S282 PolarHBondContact O-N 3.01Å; S282-M285 PolarHBondContact O-N 3.44Å; S282-F286 WeakPolarHBondContact O-CD2 3.44Å; S282-F286 PolarHBondContact O-N 3.34Å; S282-L340 WeakPolarHBondContact OG-CD1 3.48Å
283V85.1Confident77.1Confident1 Ų146.2 Ų46.21%0.00624%0.238CC..Hα-helixtrans-65.2-45.1-179.8175.20000111.3M191 V279 G280 M285 F286 E287 I299 V336M191-V283 WeakPolarHBondContact O-CG2 3.22Å; V279-V283 VanDerWaalsContact O-CG2 3.28Å; V279-V283 WeakPolarHBondContact O-CG2 3.38Å; V279-V283 PolarHBondContact O-N 3.39Å; G280-V283 PolarHBondContact O-N 3.45Å; V283-M285 VanDerWaalsContact C-N 3.29Å; V283-M285 PolarHBondContact O-N 3.26Å; V283-F286 PolarHBondContact O-N 2.51Å; V283-E287 PolarHBondContact O-N 3.15Å; V283-I299 HydrophobicContact CB-CG2 4.37Å; V283-I299 HydrophobicContact CG2-CG2 3.63Å; V283-V336 HydrophobicContact CG2-CG2 4.47Å
284Q85Confident74.7Confident22 Ų2251.3 Ų51.310%0.10327%0.274CS..Hα-helixtrans-56.1-46.1177.5-167.8-59.3-42.600111W190 G194 F257 G280 F286 E287 N288W190-Q284 HydrophobicContact CH2-CB 4.5Å; W190-Q284 HydrophobicContact CZ3-CB 4.44Å; W190-Q284 HydrophobicContact CZ3-CG 4.46Å; G194-Q284 WeakPolarHBondContact O-CG 3.19Å; F257-Q284 HydrophobicContact CE2-CG 4.01Å; F257-Q284 HydrophobicContact CZ-CG 3.95Å; G280-Q284 WeakPolarHBondContact O-CB 3.12Å; G280-Q284 PolarHBondContact O-N 3.37Å; Q284-F286 VanDerWaalsContact C-N 3.27Å; Q284-F286 PolarHBondContact O-N 3.2Å; Q284-E287 PolarHBondContact O-N 3.2Å; Q284-N288 PolarHBondContact NE2-ND2 3.32Å; Q284-N288 PolarHBondContact NE2-OD1 3.46Å; Q284-N288 PolarHBondContact O-N 3.39Å; Q284-N288 PolarHBondContact OE1-ND2 2.99Å
285M77.6Confident72.7Confident39 Ų3951.9 Ų51.919%0.19227%0.272CS..Hα-helixtrans-63.3-33.9-177.5176.2151.9-80.500112.7E281 S282 V283 H289 H465 I466E281-M285 VanDerWaalsContact O-CB 3.29Å; E281-M285 WeakPolarHBondContact O-CB 3.46Å; E281-M285 PolarHBondContact O-N 2.99Å; S282-M285 PolarHBondContact O-N 3.44Å; V283-M285 VanDerWaalsContact C-N 3.29Å; V283-M285 PolarHBondContact O-N 3.26Å; M285-H289 PolarHBondContact O-ND1 3.46Å; M285-H465 WeakPolarHBondContact CE-NE2 3.23Å; M285-H465 VanDerWaalsContact SD-CE1 3.51Å; M285-H465 PolarHBondContact SD-NE2 3.29Å; M285-I466 HydrophobicContact CG-CD1 4.31Å; M285-I466 HydrophobicContact SD-CD1 3.49Å; M285-I466 WeakPolarHBondContact SD-CD1 3.24Å; M285-I466 HydrophobicContact SD-CG1 3.26Å; M285-I466 WeakPolarHBondContact SD-CG1 3.47Å
286F73.7Confident70.2Confident21 Ų2155.1 Ų55.19%0.09231%0.306CS..Hα-helixtrans-69.7-47.3173.8-86.3-113.2000111.8S282 V283 Q284 N288 H289 N290 I299 L340 L343 W462S282-F286 WeakPolarHBondContact O-CD2 3.44Å; S282-F286 PolarHBondContact O-N 3.34Å; V283-F286 PolarHBondContact O-N 2.51Å; Q284-F286 VanDerWaalsContact C-N 3.27Å; Q284-F286 PolarHBondContact O-N 3.2Å; F286-N288 VanDerWaalsContact C-N 3.33Å; F286-N288 PolarHBondContact O-N 3.41Å; F286-H289 PolarHBondContact O-N 2.97Å; F286-H289 VanDerWaalsContact O-N 3.09Å; F286-N290 PolarHBondContact O-N 3.09Å; F286-N290 VanDerWaalsContact O-N 3.08Å; F286-I299 HydrophobicContact CD1-CB 4.06Å; F286-I299 HydrophobicContact CD1-CD1 4.4Å; F286-I299 HydrophobicContact CD1-CG1 4.23Å; F286-I299 HydrophobicContact CD2-CD1 3.89Å; F286-I299 HydrophobicContact CE1-CB 4.19Å; F286-I299 HydrophobicContact CE1-CD1 3.96Å; F286-I299 HydrophobicContact CE1-CG1 3.85Å; F286-I299 HydrophobicContact CE2-CD1 3.4Å; F286-I299 HydrophobicContact CE2-CG1 4.2Å; F286-I299 HydrophobicContact CG-CB 4.21Å; F286-I299 HydrophobicContact CG-CD1 4.33Å; F286-I299 HydrophobicContact CZ-CB 4.48Å; F286-I299 HydrophobicContact CZ-CD1 3.4Å; F286-I299 HydrophobicContact CZ-CG1 3.79Å; F286-L340 HydrophobicContact CE2-CD2 3.48Å; F286-L340 VanDerWaalsContact CE2-CD2 3.48Å; F286-L340 HydrophobicContact CE2-CG 4.11Å; F286-L340 HydrophobicContact CZ-CD2 3.9Å; F286-L340 HydrophobicContact CZ-CG 4.42Å; F286-L343 HydrophobicContact CE1-CD2 3.47Å; F286-L343 VanDerWaalsContact CE1-CD2 3.47Å; F286-L343 HydrophobicContact CE1-CG 4.46Å; F286-L343 HydrophobicContact CE2-CD2 3.97Å; F286-L343 HydrophobicContact CZ-CB 4.35Å; F286-L343 HydrophobicContact CZ-CD2 3.15Å; F286-L343 HydrophobicContact CZ-CG 4.28Å; F286-W462 HydrophobicContact CD1-CH2 4.43Å; F286-W462 HydrophobicContact CD1-CZ2 4.33Å; F286-W462 HydrophobicContact CE1-CH2 4.39Å; F286-W462 HydrophobicContact CG-CZ2 4.38Å
287E72.3Confident68.3Low80 Ų8057.2 Ų57.237%0.37433%0.328SS..Hα-helixtrans-58-43.4-179.8-77.8-67.914900111.9V283 Q284 H289 N290V283-E287 PolarHBondContact O-N 3.15Å; Q284-E287 PolarHBondContact O-N 3.2Å; E287-H289 PolarHBondContact O-N 3.48Å; E287-N290 PolarHBondContact O-N 3.38Å
288N67.2Low67Low90 Ų9058.1 Ų58.148%0.48133%0.334SS..Hα-helixtrans-61.2-27.3177.3-89.64.8000114.5Q284 F286Q284-N288 PolarHBondContact NE2-ND2 3.32Å; Q284-N288 PolarHBondContact NE2-OD1 3.46Å; Q284-N288 PolarHBondContact O-N 3.39Å; Q284-N288 PolarHBondContact OE1-ND2 2.99Å; F286-N288 VanDerWaalsContact C-N 3.33Å; F286-N288 PolarHBondContact O-N 3.41Å
289H62.8Low66Low93 Ų9357.7 Ų57.743%0.43133%0.333SS..Hα-helixtrans-101.4-5.3-177.5-75.979.5000113.4M285 F286 E287 H291 W462M285-H289 PolarHBondContact O-ND1 3.46Å; F286-H289 PolarHBondContact O-N 2.97Å; F286-H289 VanDerWaalsContact O-N 3.09Å; E287-H289 PolarHBondContact O-N 3.48Å; H289-H291 PolarHBondContact O-N 3.07Å; H289-H291 VanDerWaalsContact O-N 3.1Å; H289-W462 HydrophobicContact CB-CD2 4.4Å; H289-W462 HydrophobicContact CB-CZ2 4.33Å; H289-W462 AromaticContact CD2-CD1 3.29Å; H289-W462 AromaticContact CD2-CG 3.68Å; H289-W462 AromaticContact CD2-NE1 3.83Å; H289-W462 AromaticContact CE1-CD1 3.52Å; H289-W462 AromaticContact CE1-NE1 3.98Å; H289-W462 AromaticContact CG-CD1 3.36Å; H289-W462 AromaticContact CG-NE1 3.39Å; H289-W462 AromaticContact ND1-CD1 3.5Å; H289-W462 AromaticContact ND1-NE1 3.5Å; H289-W462 PolarHBondContact ND1-NE1 3.19Å; H289-W462 AromaticContact NE2-CD1 3.4Å
290N54.5Low65Low41 Ų4157.7 Ų57.722%0.21933%0.333CS..THydrogen-bonded Turntrans-72.37177.7-101.9-2.5000114.7F286 E287 S292 R295 G297F286-N290 PolarHBondContact O-N 3.09Å; F286-N290 VanDerWaalsContact O-N 3.08Å; E287-N290 PolarHBondContact O-N 3.38Å; N290-S292 PolarHBondContact O-N 3.05Å; N290-R295 PolarHBondContact OD1-O 3.5Å; N290-G297 PolarHBondContact ND2-O 3.23Å; N290-G297 VanDerWaalsContact ND2-O 3.14Å
291H50.2Low64.3Low176 Ų17663.8 Ų63.882%0.81536%0.359SS*.THydrogen-bonded Turntrans-69.2-2.9168.8-70.7-57.5000114.1H289H289-H291 PolarHBondContact O-N 3.07Å; H289-H291 VanDerWaalsContact O-N 3.1Å
292S42.7Very low63.6Low64 Ų6469.9 Ų69.945%0.44839%0.387SS..SBendtrans-83.2119.2166.5-176.90000110.5N290 S294 R295N290-S292 PolarHBondContact O-N 3.05Å; S292-S294 PolarHBondContact O-N 3.33Å; S292-R295 PolarHBondContact O-N 3.26Å
293P39.3Very low63.4Low131 Ų13173.4 Ų73.485%0.85140%0.403SS*.THydrogen-bonded Turntrans-66.30.8-171.526.3-34.5000115.2
294S43.1Very low63.4Low107 Ų10775.6 Ų75.675%0.74841%0.413SS*.THydrogen-bonded Turntrans-93-9.3-179.9-171.30000114.4S292S292-S294 PolarHBondContact O-N 3.33Å
295R51.6Low63.4Low110 Ų11080.8 Ų80.842%0.41544%0.441SS..  trans-126.446.8-174-71.6-176.3168.6149.6-5.5112.7N290 S292 G297 E347N290-R295 PolarHBondContact OD1-O 3.5Å; S292-R295 PolarHBondContact O-N 3.26Å; R295-G297 PolarHBondContact O-N 3.04Å; R295-E347 IonicContact CZ-OE2 3.69Å; R295-E347 IonicContact NE-OE2 3.39Å; R295-E347 IonicContact NH2-OE2 2.95Å; R295-E347 PolarHBondContact NH2-OE2 3.11Å
296A40.2Very low64Low106 Ų10682.9 Ų82.988%0.87646%0.457SS*.  trans-6992.4175.500000110.8
297G55.1Low64.8Low45 Ų4582.8 Ų82.846%0.46446%0.456SS..SBendtrans-178.5138.7172.900000112.5N290 R295N290-G297 PolarHBondContact ND2-O 3.23Å; N290-G297 VanDerWaalsContact ND2-O 3.14Å; R295-G297 PolarHBondContact O-N 3.04Å
298S66Low65.6Low22 Ų2281 Ų8115%0.15446%0.455CS..  trans-63.2146.4167.1170.10000109.5L300 K301 E304S298-L300 PolarHBondContact O-N 3.23Å; S298-L300 VanDerWaalsContact O-N 3.08Å; S298-L300 PolarHBondContact OG-N 3.15Å; S298-K301 PolarHBondContact O-N 2.88Å; S298-E304 VanDerWaalsContact CB-OE2 3.31Å; S298-E304 WeakPolarHBondContact CB-OE2 3.31Å; S298-E304 PolarHBondContact OG-OE2 2.97Å
299I69Low66.8Low10 Ų1079.4 Ų79.45%0.05146%0.455CS..THydrogen-bonded Turntrans-56.1-26.2174.1-166.7-179.3000111.8V283 F286 K301 V336 H339 L340V283-I299 HydrophobicContact CB-CG2 4.37Å; V283-I299 HydrophobicContact CG2-CG2 3.63Å; F286-I299 HydrophobicContact CD1-CB 4.06Å; F286-I299 HydrophobicContact CD1-CD1 4.4Å; F286-I299 HydrophobicContact CD1-CG1 4.23Å; F286-I299 HydrophobicContact CD2-CD1 3.89Å; F286-I299 HydrophobicContact CE1-CB 4.19Å; F286-I299 HydrophobicContact CE1-CD1 3.96Å; F286-I299 HydrophobicContact CE1-CG1 3.85Å; F286-I299 HydrophobicContact CE2-CD1 3.4Å; F286-I299 HydrophobicContact CE2-CG1 4.2Å; F286-I299 HydrophobicContact CG-CB 4.21Å; F286-I299 HydrophobicContact CG-CD1 4.33Å; F286-I299 HydrophobicContact CZ-CB 4.48Å; F286-I299 HydrophobicContact CZ-CD1 3.4Å; F286-I299 HydrophobicContact CZ-CG1 3.79Å; I299-K301 VanDerWaalsContact C-N 3.3Å; I299-K301 PolarHBondContact O-N 3.28Å; I299-V336 HydrophobicContact CD1-CG1 4.16Å; I299-H339 HydrophobicContact CD1-CB 4.29Å; I299-H339 HydrophobicContact CG1-CB 3.76Å; I299-H339 PolarHBondContact O-CD2 2.81Å; I299-L340 HydrophobicContact CD1-CG 3.98Å
300L69.6Low68.3Low0 Ų078.3 Ų78.30%045%0.45CS..THydrogen-bonded Turntrans-81.7-5.2178.7-60.1171.5000113.3L192 S298 H302 Q303 E304 F307 I332 V336L192-L300 HydrophobicContact CB-CD1 4.34Å; L192-L300 HydrophobicContact CD2-CD1 3.73Å; S298-L300 PolarHBondContact O-N 3.23Å; S298-L300 VanDerWaalsContact O-N 3.08Å; S298-L300 PolarHBondContact OG-N 3.15Å; L300-H302 PolarHBondContact O-N 3.36Å; L300-Q303 WeakPolarHBondContact O-CB 3.49Å; L300-Q303 PolarHBondContact O-N 3.4Å; L300-E304 HydrophobicContact CB-CB 4.21Å; L300-F307 HydrophobicContact CD2-CD2 4.31Å; L300-F307 HydrophobicContact CD2-CE2 4.23Å; L300-I332 HydrophobicContact CD2-CG2 4.44Å; L300-V336 HydrophobicContact CD2-CG2 3.44Å; L300-V336 VanDerWaalsContact CD2-CG2 3.44Å
301K74.8Confident70Confident128 Ų12876.5 Ų76.556%0.55744%0.44SS*.G310 helixtrans45-125.1-178.8-61.5179.5-178.1158.70111.7S298 I299 Q303 H339S298-K301 PolarHBondContact O-N 2.88Å; I299-K301 VanDerWaalsContact C-N 3.3Å; I299-K301 PolarHBondContact O-N 3.28Å; K301-Q303 VanDerWaalsContact C-N 3.31Å; K301-Q303 PolarHBondContact O-N 3.01Å; K301-H339 WeakPolarHBondContact CD-NE2 3.33Å; K301-H339 PolarHBondContact NZ-CD2 3.2Å; K301-H339 PolarHBondContact NZ-NE2 3.33Å
302H72.1Confident72Confident175 Ų17573 Ų7381%0.8142%0.424SS*.G310 helixtrans-82-0.6179.4-57.7-62.5000114.3L300L300-H302 PolarHBondContact O-N 3.36Å
303Q80.6Confident74.5Confident81 Ų8173.7 Ų73.738%0.37942%0.417SS..G310 helixtrans-89.7-8.4-177.9-59.2-171.13.500113.1L300 K301 D305 T306 F307 T335L300-Q303 WeakPolarHBondContact O-CB 3.49Å; L300-Q303 PolarHBondContact O-N 3.4Å; K301-Q303 VanDerWaalsContact C-N 3.31Å; K301-Q303 PolarHBondContact O-N 3.01Å; Q303-D305 VanDerWaalsContact C-N 3.32Å; Q303-D305 PolarHBondContact O-N 3.01Å; Q303-T306 WeakPolarHBondContact O-CB 3.23Å; Q303-T306 PolarHBondContact O-N 2.63Å; Q303-T306 VanDerWaalsContact O-N 3.12Å; Q303-F307 HydrophobicContact CB-CD2 4.08Å; Q303-F307 HydrophobicContact CB-CE2 3.67Å; Q303-F307 HydrophobicContact CB-CZ 4.38Å; Q303-F307 WeakPolarHBondContact O-CD2 3.39Å; Q303-F307 PolarHBondContact O-N 3.34Å; Q303-T335 PolarHBondContact OE1-OG1 3.13Å
304E84.1Confident77.1Confident46 Ų4667.8 Ų67.822%0.21538%0.378CS..Hα-helixtrans-55.7-45.9177.5-169175156.300112L192 H193 S298 L300 T306 F307 A308L192-E304 HydrophobicContact CB-CG 4.36Å; H193-E304 IonicContact CE1-OE1 2.8Å; H193-E304 PolarHBondContact CE1-OE1 3.23Å; H193-E304 IonicContact ND1-OE1 3.16Å; H193-E304 PolarHBondContact ND1-OE1 2.98Å; H193-E304 VanDerWaalsContact ND1-OE1 3.15Å; S298-E304 VanDerWaalsContact CB-OE2 3.31Å; S298-E304 WeakPolarHBondContact CB-OE2 3.31Å; S298-E304 PolarHBondContact OG-OE2 2.97Å; L300-E304 HydrophobicContact CB-CB 4.21Å; E304-T306 VanDerWaalsContact C-N 3.32Å; E304-T306 PolarHBondContact O-N 3.28Å; E304-F307 PolarHBondContact O-N 3.44Å; E304-A308 WeakPolarHBondContact O-CB 3.41Å; E304-A308 PolarHBondContact O-N 3.39Å
305D85.5Confident79.4Confident131 Ų13167 Ų6770%0.70136%0.361SS*.Hα-helixtrans-62.1-39.1177-68.2-35.7000112.2Q303 A309Q303-D305 VanDerWaalsContact C-N 3.32Å; Q303-D305 PolarHBondContact O-N 3.01Å; D305-A309 WeakPolarHBondContact O-CB 3.16Å; D305-A309 PolarHBondContact O-N 3.29Å
306T89.7Confident81.3Confident84 Ų8467.5 Ų67.552%0.51537%0.368SS..Hα-helixtrans-65.3-45.5177.6-54.80000110.8Q303 E304 A309 E310Q303-T306 WeakPolarHBondContact O-CB 3.23Å; Q303-T306 PolarHBondContact O-N 2.63Å; Q303-T306 VanDerWaalsContact O-N 3.12Å; E304-T306 VanDerWaalsContact C-N 3.32Å; E304-T306 PolarHBondContact O-N 3.28Å; T306-A309 WeakPolarHBondContact O-CB 3.31Å; T306-A309 PolarHBondContact O-N 3.29Å; T306-E310 PolarHBondContact O-N 3.31Å
307F90.7Very high83.7Confident19 Ų1966.6 Ų66.68%0.08335%0.346CS..Hα-helixtrans-70.7-35.4178.5-65.1-50.1000112.6L192 L300 Q303 E304 A309 E310 L311 I332 T335L192-F307 HydrophobicContact CD2-CB 3.75Å; L300-F307 HydrophobicContact CD2-CD2 4.31Å; L300-F307 HydrophobicContact CD2-CE2 4.23Å; Q303-F307 HydrophobicContact CB-CD2 4.08Å; Q303-F307 HydrophobicContact CB-CE2 3.67Å; Q303-F307 HydrophobicContact CB-CZ 4.38Å; Q303-F307 WeakPolarHBondContact O-CD2 3.39Å; Q303-F307 PolarHBondContact O-N 3.34Å; E304-F307 PolarHBondContact O-N 3.44Å; F307-A309 VanDerWaalsContact C-N 3.3Å; F307-A309 PolarHBondContact O-N 3.11Å; F307-E310 PolarHBondContact O-N 3.44Å; F307-L311 WeakPolarHBondContact O-CB 3.49Å; F307-L311 WeakPolarHBondContact O-CG 3.26Å; F307-L311 PolarHBondContact O-N 3.09Å; F307-I332 HydrophobicContact CB-CD1 4.27Å; F307-I332 HydrophobicContact CB-CG1 4.01Å; F307-I332 HydrophobicContact CD1-CD1 4.34Å; F307-I332 HydrophobicContact CD1-CG1 3.4Å; F307-I332 VanDerWaalsContact CD1-CG1 3.4Å; F307-I332 HydrophobicContact CD2-CG1 4.11Å; F307-I332 HydrophobicContact CE1-CG1 3.82Å; F307-I332 HydrophobicContact CE2-CG1 4.45Å; F307-I332 HydrophobicContact CG-CD1 4.37Å; F307-I332 HydrophobicContact CG-CG1 3.59Å; F307-I332 HydrophobicContact CZ-CG1 4.34Å; F307-T335 HydrophobicContact CE2-CG2 4.12Å; F307-T335 HydrophobicContact CZ-CG2 4.39Å; F307-T335 WeakPolarHBondContact CZ-OG1 3.29Å
308A90.1Very high85.1Confident42 Ų4268.9 Ų68.935%0.34735%0.352SS..Hα-helixtrans-60.3-42170.600000111.2L192 E304 H312L192-A308 HydrophobicContact CD1-CB 3.87Å; E304-A308 WeakPolarHBondContact O-CB 3.41Å; E304-A308 PolarHBondContact O-N 3.39Å; A308-H312 VanDerWaalsContact O-CB 3.23Å; A308-H312 WeakPolarHBondContact O-CB 3.5Å; A308-H312 PolarHBondContact O-N 2.72Å
309A91.9Very high86.3Confident57 Ų5772.5 Ų72.547%0.47137%0.369SS..Hα-helixtrans-65-41.2175.400000112.5D305 T306 F307 H312 R313D305-A309 WeakPolarHBondContact O-CB 3.16Å; D305-A309 PolarHBondContact O-N 3.29Å; T306-A309 WeakPolarHBondContact O-CB 3.31Å; T306-A309 PolarHBondContact O-N 3.29Å; F307-A309 VanDerWaalsContact C-N 3.3Å; F307-A309 PolarHBondContact O-N 3.11Å; A309-H312 PolarHBondContact O-N 3.13Å; A309-R313 WeakPolarHBondContact O-CB 3.45Å; A309-R313 PolarHBondContact O-N 3.12Å
310E92.8Very high87.4Confident69 Ų6974.2 Ų74.232%0.32238%0.377SS..Hα-helixtrans-67.3-43.7176.7-75.5-58.2137.200112.8T306 F307 H312 R313 L314 V328T306-E310 PolarHBondContact O-N 3.31Å; F307-E310 PolarHBondContact O-N 3.44Å; E310-H312 VanDerWaalsContact C-N 3.29Å; E310-H312 PolarHBondContact O-N 3.35Å; E310-R313 WeakPolarHBondContact O-CB 3.43Å; E310-R313 PolarHBondContact O-N 2.96Å; E310-R313 IonicContact OE1-NE 3.35Å; E310-R313 IonicContact OE2-CZ 3.7Å; E310-R313 VanDerWaalsContact OE2-CZ 3.32Å; E310-R313 IonicContact OE2-NE 2.89Å; E310-R313 PolarHBondContact OE2-NE 3.28Å; E310-R313 IonicContact OE2-NH2 3.69Å; E310-R313 PolarHBondContact OE2-NH2 3.28Å; E310-L314 PolarHBondContact O-N 3.25Å; E310-V328 HydrophobicContact CB-CG1 3.99Å; E310-V328 HydrophobicContact CB-CG2 4.27Å
311L91.6Very high88.5Confident3 Ų377 Ų772%0.01640%0.396CS..Hα-helixtrans-63.6-37.4173.6-71.1176.8000111.4Y184 A188 L192 F307 L314 K315 V328 I332Y184-L311 HydrophobicContact CD1-CD2 4.45Å; A188-L311 HydrophobicContact CB-CD1 3.89Å; L192-L311 HydrophobicContact CD1-CD1 4.32Å; L192-L311 HydrophobicContact CG-CD1 4.46Å; F307-L311 WeakPolarHBondContact O-CB 3.49Å; F307-L311 WeakPolarHBondContact O-CG 3.26Å; F307-L311 PolarHBondContact O-N 3.09Å; L311-L314 HydrophobicContact CD2-CD1 4.5Å; L311-L314 PolarHBondContact O-N 3.43Å; L311-K315 PolarHBondContact O-N 3.48Å; L311-V328 HydrophobicContact CD2-CG1 4.06Å; L311-V328 HydrophobicContact CG-CG1 4.48Å; L311-I332 HydrophobicContact CD1-CD1 4.39Å; L311-I332 HydrophobicContact CG-CD1 4.47Å
312H92.6Very high89.4Confident104 Ų10473.6 Ų73.648%0.48138%0.384SS..Hα-helixtrans-65.7-41173-175.2-93.1000111.5A308 A309 E310 L314 K315 Q316A308-H312 VanDerWaalsContact O-CB 3.23Å; A308-H312 WeakPolarHBondContact O-CB 3.5Å; A308-H312 PolarHBondContact O-N 2.72Å; A309-H312 PolarHBondContact O-N 3.13Å; E310-H312 VanDerWaalsContact C-N 3.29Å; E310-H312 PolarHBondContact O-N 3.35Å; H312-L314 VanDerWaalsContact C-N 3.34Å; H312-L314 PolarHBondContact O-N 3.25Å; H312-K315 WeakPolarHBondContact O-CB 3.36Å; H312-K315 PolarHBondContact O-N 3.5Å; H312-Q316 PolarHBondContact CE1-NE2 2.96Å; H312-Q316 PolarHBondContact NE2-NE2 2.96Å; H312-Q316 VanDerWaalsContact NE2-NE2 3.15Å; H312-Q316 WeakPolarHBondContact O-CG 3.34Å; H312-Q316 PolarHBondContact O-N 3.39Å; H312-Q316 VanDerWaalsContact O-N 3.13Å
313R94.9Very high90.5Very high78 Ų7869.9 Ų69.929%0.29437%0.373SS..Hα-helixtrans-59-44.7175-176-170.96575.2-0.8111.3A309 E310 K315 Q316 D324A309-R313 WeakPolarHBondContact O-CB 3.45Å; A309-R313 PolarHBondContact O-N 3.12Å; E310-R313 WeakPolarHBondContact O-CB 3.43Å; E310-R313 PolarHBondContact O-N 2.96Å; E310-R313 IonicContact OE1-NE 3.35Å; E310-R313 IonicContact OE2-CZ 3.7Å; E310-R313 VanDerWaalsContact OE2-CZ 3.32Å; E310-R313 IonicContact OE2-NE 2.89Å; E310-R313 PolarHBondContact OE2-NE 3.28Å; E310-R313 IonicContact OE2-NH2 3.69Å; E310-R313 PolarHBondContact OE2-NH2 3.28Å; R313-K315 VanDerWaalsContact C-N 3.35Å; R313-Q316 PolarHBondContact O-N 3.32Å; R313-D324 IonicContact CZ-OD1 3.53Å; R313-D324 IonicContact CZ-OD2 3.19Å; R313-D324 IonicContact NH1-OD1 2.71Å; R313-D324 IonicContact NH1-OD2 3.12Å; R313-D324 PolarHBondContact NH1-OD2 2.98Å; R313-D324 IonicContact NH2-OD1 3.15Å; R313-D324 PolarHBondContact NH2-OD1 2.9Å; R313-D324 IonicContact NH2-OD2 2.88Å; R313-D324 PolarHBondContact NH2-OD2 3.27Å
314L92.8Very high91.2Very high7 Ų768 Ų684%0.03737%0.366CS..Hα-helixtrans-61.5-42.9175.8-72.2178.9000111.8Y184 E310 L311 H312 Q316 Q317 D324 F325 V328Y184-L314 HydrophobicContact CD1-CB 4.45Å; Y184-L314 HydrophobicContact CE1-CB 3.77Å; Y184-L314 HydrophobicContact CE1-CD1 4.01Å; Y184-L314 HydrophobicContact CE2-CB 4.44Å; E310-L314 PolarHBondContact O-N 3.25Å; L311-L314 HydrophobicContact CD2-CD1 4.5Å; L311-L314 PolarHBondContact O-N 3.43Å; H312-L314 VanDerWaalsContact C-N 3.34Å; H312-L314 PolarHBondContact O-N 3.25Å; L314-Q316 PolarHBondContact O-N 3.06Å; L314-Q317 WeakPolarHBondContact O-CB 3.45Å; L314-Q317 PolarHBondContact O-N 2.85Å; L314-Q317 VanDerWaalsContact O-N 3.1Å; L314-D324 HydrophobicContact CD2-CB 4.06Å; L314-D324 VanDerWaalsContact CD2-CG 3.48Å; L314-D324 WeakPolarHBondContact CD2-OD2 3.31Å; L314-F325 HydrophobicContact CD1-CD2 4.22Å; L314-V328 HydrophobicContact CD1-CB 3.87Å; L314-V328 HydrophobicContact CD1-CG1 4.14Å; L314-V328 HydrophobicContact CD1-CG2 3.78Å; L314-V328 HydrophobicContact CG-CG2 4.23Å
315K91.5Very high91.8Very high89 Ų8965.9 Ų65.939%0.38736%0.356SS..Hα-helixtrans-59.8-30.4176.2176.4175.1175176.60113.5Y184 L311 H312 R313 Q317Y184-K315 HydrophobicContact CD2-CB 3.86Å; Y184-K315 HydrophobicContact CD2-CG 4.39Å; Y184-K315 HydrophobicContact CG-CB 4.17Å; L311-K315 PolarHBondContact O-N 3.48Å; H312-K315 WeakPolarHBondContact O-CB 3.36Å; H312-K315 PolarHBondContact O-N 3.5Å; R313-K315 VanDerWaalsContact C-N 3.35Å; K315-Q317 VanDerWaalsContact C-N 3.32Å
316Q91.6Very high92.2Very high122 Ų12260.8 Ų60.857%0.5733%0.328SS*.THydrogen-bonded Turntrans-80.8-10.2179.1-62.8-61.7-24.200113.5H312 R313 L314H312-Q316 PolarHBondContact CE1-NE2 2.96Å; H312-Q316 PolarHBondContact NE2-NE2 2.96Å; H312-Q316 VanDerWaalsContact NE2-NE2 3.15Å; H312-Q316 WeakPolarHBondContact O-CG 3.34Å; H312-Q316 PolarHBondContact O-N 3.39Å; H312-Q316 VanDerWaalsContact O-N 3.13Å; R313-Q316 PolarHBondContact O-N 3.32Å; L314-Q316 PolarHBondContact O-N 3.06Å
317Q90.6Very high92.5Very high87 Ų8761.4 Ų61.441%0.40733%0.328SS..  trans-72.5135.3178.6-63.7-62.8-29.300110.7L314 K315 L319L314-Q317 WeakPolarHBondContact O-CB 3.45Å; L314-Q317 PolarHBondContact O-N 2.85Å; L314-Q317 VanDerWaalsContact O-N 3.1Å; K315-Q317 VanDerWaalsContact C-N 3.32Å; Q317-L319 VanDerWaalsContact C-N 3.28Å; Q317-L319 PolarHBondContact O-N 3.31Å
318P85.4Confident92.7Very high93 Ų9361.1 Ų61.160%0.60433%0.328SS*.SBendtrans-74.3-19.7179.230.2-35.3000113.1
319L89.6Confident93Very high97 Ų9759.1 Ų59.151%0.50831%0.311SS..SBendtrans-124.6135.4-178.5-62.9176.8000109.8E173 Q317 S321E173-L319 HydrophobicContact CB-CD2 4.27Å; E173-L319 VanDerWaalsContact CD-CD2 3.4Å; E173-L319 HydrophobicContact CG-CD2 4.05Å; E173-L319 WeakPolarHBondContact OE2-CD2 3.47Å; Q317-L319 VanDerWaalsContact C-N 3.28Å; Q317-L319 PolarHBondContact O-N 3.31Å; L319-S321 PolarHBondContact O-N 2.79Å
320F92.4Very high93.1Very high47 Ų4758.5 Ų58.521%0.20630%0.3CS..  trans-76118.5175.4-179.5-97.2000110.6H180 M183 Y267 I268 L322 F325H180-F320 AromaticContact CE1-CD2 3.76Å; H180-F320 AromaticContact CE1-CG 3.73Å; M183-F320 HydrophobicContact CE-CE2 4.33Å; Y267-F320 AromaticContact CD2-CD1 3.98Å; Y267-F320 HydrophobicContact CD2-CD1 3.98Å; Y267-F320 AromaticContact CD2-CE1 3.58Å; Y267-F320 HydrophobicContact CD2-CE1 3.58Å; Y267-F320 HydrophobicContact CD2-CZ 4.18Å; Y267-F320 HydrophobicContact CE2-CD1 4.15Å; Y267-F320 AromaticContact CE2-CE1 3.88Å; Y267-F320 HydrophobicContact CE2-CE1 3.88Å; Y267-F320 HydrophobicContact CE2-CZ 4.13Å; I268-F320 HydrophobicContact CG1-CZ 4.3Å; F320-L322 HydrophobicContact CE1-CB 4.18Å; F320-L322 HydrophobicContact CE1-CD1 4.42Å; F320-F325 HydrophobicContact CE2-CB 4.12Å; F320-F325 HydrophobicContact CE2-CD1 4.44Å; F320-F325 HydrophobicContact CE2-CD2 4.29Å; F320-F325 HydrophobicContact CE2-CG 4.03Å; F320-F325 HydrophobicContact CZ-CB 4.12Å; F320-F325 HydrophobicContact CZ-CD1 4.06Å; F320-F325 HydrophobicContact CZ-CG 4.05Å
321S93.4Very high93.1Very high59 Ų5956.6 Ų56.641%0.41330%0.299SS..  trans-108.4114.1172.7177.50000109.6L319 V323 D324 F325L319-S321 PolarHBondContact O-N 2.79Å; S321-V323 VanDerWaalsContact C-N 3.26Å; S321-V323 PolarHBondContact O-N 2.86Å; S321-D324 PolarHBondContact O-N 3.28Å; S321-D324 PolarHBondContact OG-N 3.42Å; S321-F325 WeakPolarHBondContact O-CB 3.47Å; S321-F325 PolarHBondContact O-N 2.95Å
322L93.8Very high93.2Very high55 Ų5556.5 Ų56.529%0.28830%0.298SS..Hα-helixtrans-61.1-36.4178.4178.661.9000112.2P269 F320 F325 E326P269-L322 HydrophobicContact CG-CD1 4.49Å; P269-L322 HydrophobicContact CG-CD2 4.07Å; F320-L322 HydrophobicContact CE1-CB 4.18Å; F320-L322 HydrophobicContact CE1-CD1 4.42Å; L322-F325 HydrophobicContact CD1-CD1 4.39Å; L322-E326 VanDerWaalsContact O-CB 3.28Å; L322-E326 WeakPolarHBondContact O-CB 3.5Å; L322-E326 PolarHBondContact O-N 3.46Å
323V95.4Very high93.2Very high98 Ų9853.2 Ų53.259%0.59428%0.282SS*.Hα-helixtrans-68.8-45.1-178.2-179.60000111.1S321 E326 N327S321-V323 VanDerWaalsContact C-N 3.26Å; S321-V323 PolarHBondContact O-N 2.86Å; V323-E326 PolarHBondContact O-N 3.2Å; V323-N327 WeakPolarHBondContact O-CB 3.42Å; V323-N327 PolarHBondContact O-N 2.91Å; V323-N327 PolarHBondContact O-ND2 2.9Å
324D95.1Very high93Very high42 Ų4252 Ų5223%0.22529%0.285CS..Hα-helixtrans-66.9-42178.2-166.314.1000110.6R313 L314 S321 N327 V328R313-D324 IonicContact CZ-OD1 3.53Å; R313-D324 IonicContact CZ-OD2 3.19Å; R313-D324 IonicContact NH1-OD1 2.71Å; R313-D324 IonicContact NH1-OD2 3.12Å; R313-D324 PolarHBondContact NH1-OD2 2.98Å; R313-D324 IonicContact NH2-OD1 3.15Å; R313-D324 PolarHBondContact NH2-OD1 2.9Å; R313-D324 IonicContact NH2-OD2 2.88Å; R313-D324 PolarHBondContact NH2-OD2 3.27Å; L314-D324 HydrophobicContact CD2-CB 4.06Å; L314-D324 VanDerWaalsContact CD2-CG 3.48Å; L314-D324 WeakPolarHBondContact CD2-OD2 3.31Å; S321-D324 PolarHBondContact O-N 3.28Å; S321-D324 PolarHBondContact OG-N 3.42Å; D324-N327 PolarHBondContact O-N 3.43Å; D324-V328 PolarHBondContact O-N 3.47Å
325F95.5Very high92.9Very high0 Ų052.6 Ų52.60%029%0.289CS..Hα-helixtrans-56.4-53.1172.8177.7-109.4000111.9Y184 L187 I268 V272 I276 L314 F320 S321 L322 N327 V328 I329Y184-F325 AromaticContact CE1-CD2 3.83Å; Y184-F325 HydrophobicContact CE1-CD2 3.83Å; Y184-F325 AromaticContact CE1-CE2 3.93Å; Y184-F325 HydrophobicContact CE1-CE2 3.93Å; L187-F325 HydrophobicContact CD1-CE2 3.76Å; L187-F325 HydrophobicContact CD1-CZ 3.97Å; I268-F325 HydrophobicContact CG2-CE1 4.31Å; V272-F325 HydrophobicContact CG1-CD1 4.3Å; V272-F325 HydrophobicContact CG1-CE1 3.77Å; I276-F325 HydrophobicContact CD1-CE1 4.36Å; I276-F325 HydrophobicContact CD1-CZ 3.95Å; L314-F325 HydrophobicContact CD1-CD2 4.22Å; F320-F325 HydrophobicContact CE2-CB 4.12Å; F320-F325 HydrophobicContact CE2-CD1 4.44Å; F320-F325 HydrophobicContact CE2-CD2 4.29Å; F320-F325 HydrophobicContact CE2-CG 4.03Å; F320-F325 HydrophobicContact CZ-CB 4.12Å; F320-F325 HydrophobicContact CZ-CD1 4.06Å; F320-F325 HydrophobicContact CZ-CG 4.05Å; S321-F325 WeakPolarHBondContact O-CB 3.47Å; S321-F325 PolarHBondContact O-N 2.95Å; L322-F325 HydrophobicContact CD1-CD1 4.39Å; F325-N327 VanDerWaalsContact C-N 3.34Å; F325-N327 PolarHBondContact O-N 2.94Å; F325-V328 PolarHBondContact O-N 3.36Å; F325-I329 HydrophobicContact CD1-CG1 4.46Å; F325-I329 HydrophobicContact CD2-CG1 4.4Å; F325-I329 HydrophobicContact CE1-CG1 4.13Å; F325-I329 HydrophobicContact CE2-CD1 4.06Å; F325-I329 HydrophobicContact CE2-CG1 4.07Å; F325-I329 HydrophobicContact CZ-CD1 4.09Å; F325-I329 HydrophobicContact CZ-CG1 3.93Å; F325-I329 WeakPolarHBondContact O-CG1 3.41Å; F325-I329 PolarHBondContact O-N 3.45Å; F325-I329 VanDerWaalsContact O-N 3.12Å
326E95.9Very high92.8Very high24 Ų2448.4 Ų48.411%0.11227%0.271CS..Hα-helixtrans-62.2-40-178.2-177.6166.4-166.700112.3R271 V272 K275 L322 V323 V328 I329 D330R271-E326 IonicContact CZ-OE1 3.85Å; R271-E326 IonicContact CZ-OE2 3.95Å; R271-E326 IonicContact NH1-OE1 3.82Å; R271-E326 PolarHBondContact NH1-OE1 2.73Å; R271-E326 IonicContact NH1-OE2 3.89Å; R271-E326 PolarHBondContact NH1-OE2 2.71Å; R271-E326 IonicContact NH2-OE1 2.83Å; R271-E326 PolarHBondContact NH2-OE1 2.92Å; R271-E326 IonicContact NH2-OE2 3.9Å; R271-E326 PolarHBondContact NH2-OE2 2.89Å; V272-E326 HydrophobicContact CG2-CG 4.12Å; K275-E326 IonicContact NZ-OE1 3.41Å; K275-E326 PolarHBondContact NZ-OE1 3.12Å; L322-E326 VanDerWaalsContact O-CB 3.28Å; L322-E326 WeakPolarHBondContact O-CB 3.5Å; L322-E326 PolarHBondContact O-N 3.46Å; V323-E326 PolarHBondContact O-N 3.2Å; E326-V328 VanDerWaalsContact C-N 3.33Å; E326-V328 PolarHBondContact O-N 2.88Å; E326-I329 PolarHBondContact O-N 2.96Å; E326-D330 WeakPolarHBondContact O-CB 3.43Å; E326-D330 PolarHBondContact O-N 3.26Å
327N95.5Very high92.7Very high98 Ų9842.6 Ų42.652%0.52424%0.244SC..Hα-helixtrans-60.2-41.2177.4-72.1-24.1000112.6V323 D324 F325 D330 G331V323-N327 WeakPolarHBondContact O-CB 3.42Å; V323-N327 PolarHBondContact O-N 2.91Å; V323-N327 PolarHBondContact O-ND2 2.9Å; D324-N327 PolarHBondContact O-N 3.43Å; F325-N327 VanDerWaalsContact C-N 3.34Å; F325-N327 PolarHBondContact O-N 2.94Å; N327-D330 PolarHBondContact O-N 2.89Å; N327-G331 PolarHBondContact O-N 2.91Å
328V95.1Very high92.7Very high13 Ų1342.7 Ų42.78%0.07924%0.244CC..Hα-helixtrans-66.7-43.8176.8174.20000110.6E310 L311 L314 D324 F325 E326 D330 G331 I332E310-V328 HydrophobicContact CB-CG1 3.99Å; E310-V328 HydrophobicContact CB-CG2 4.27Å; L311-V328 HydrophobicContact CD2-CG1 4.06Å; L311-V328 HydrophobicContact CG-CG1 4.48Å; L314-V328 HydrophobicContact CD1-CB 3.87Å; L314-V328 HydrophobicContact CD1-CG1 4.14Å; L314-V328 HydrophobicContact CD1-CG2 3.78Å; L314-V328 HydrophobicContact CG-CG2 4.23Å; D324-V328 PolarHBondContact O-N 3.47Å; F325-V328 PolarHBondContact O-N 3.36Å; E326-V328 VanDerWaalsContact C-N 3.33Å; E326-V328 PolarHBondContact O-N 2.88Å; V328-D330 VanDerWaalsContact C-N 3.33Å; V328-D330 PolarHBondContact O-N 3.44Å; V328-G331 PolarHBondContact O-N 3Å; V328-I332 HydrophobicContact CG1-CD1 4.16Å; V328-I332 WeakPolarHBondContact O-CG1 3.41Å; V328-I332 PolarHBondContact O-N 3.48Å; V328-I332 VanDerWaalsContact O-N 3.08Å
329I95.4Very high92.8Very high0 Ų039.8 Ų39.80%022%0.222CC..Hα-helixtrans-61.6-41.4176.4-60.4-58.8000111.2M191 V272 K275 I276 F325 E326 G331 I332 R333M191-I329 HydrophobicContact CE-CD1 3.62Å; M191-I329 HydrophobicContact CE-CG2 4.15Å; M191-I329 HydrophobicContact SD-CD1 3.46Å; M191-I329 WeakPolarHBondContact SD-CD1 3.17Å; V272-I329 HydrophobicContact CG1-CG1 4.44Å; V272-I329 HydrophobicContact CG1-CG2 4.28Å; K275-I329 HydrophobicContact CB-CG2 3.99Å; I276-I329 HydrophobicContact CD1-CD1 4.27Å; I276-I329 HydrophobicContact CG1-CD1 4.03Å; I276-I329 HydrophobicContact CG1-CG1 4.42Å; I276-I329 HydrophobicContact CG1-CG2 3.93Å; F325-I329 HydrophobicContact CD1-CG1 4.46Å; F325-I329 HydrophobicContact CD2-CG1 4.4Å; F325-I329 HydrophobicContact CE1-CG1 4.13Å; F325-I329 HydrophobicContact CE2-CD1 4.06Å; F325-I329 HydrophobicContact CE2-CG1 4.07Å; F325-I329 HydrophobicContact CZ-CD1 4.09Å; F325-I329 HydrophobicContact CZ-CG1 3.93Å; F325-I329 WeakPolarHBondContact O-CG1 3.41Å; F325-I329 PolarHBondContact O-N 3.45Å; F325-I329 VanDerWaalsContact O-N 3.12Å; E326-I329 PolarHBondContact O-N 2.96Å; I329-G331 VanDerWaalsContact C-N 3.35Å; I329-G331 PolarHBondContact O-N 3.44Å; I329-I332 PolarHBondContact O-N 2.98Å; I329-R333 VanDerWaalsContact O-CB 3.31Å; I329-R333 WeakPolarHBondContact O-CB 3.45Å; I329-R333 PolarHBondContact O-N 3.3Å
330D94.2Very high92.6Very high44 Ų4435.1 Ų35.124%0.23520%0.198CC..Hα-helixtrans-66.2-35.3177.5-81.7-24.1000113K275 E326 N327 V328 S334K275-D330 VanDerWaalsContact CD-OD1 3.25Å; K275-D330 WeakPolarHBondContact CD-OD1 3.4Å; K275-D330 VanDerWaalsContact CE-OD1 3.23Å; K275-D330 WeakPolarHBondContact CE-OD1 3.3Å; K275-D330 VanDerWaalsContact NZ-CG 3.3Å; K275-D330 IonicContact NZ-OD1 3.47Å; K275-D330 PolarHBondContact NZ-OD1 2.9Å; K275-D330 IonicContact NZ-OD2 2.73Å; K275-D330 PolarHBondContact NZ-OD2 2.75Å; K275-D330 VanDerWaalsContact NZ-OD2 3.16Å; E326-D330 WeakPolarHBondContact O-CB 3.43Å; E326-D330 PolarHBondContact O-N 3.26Å; N327-D330 PolarHBondContact O-N 2.89Å; V328-D330 VanDerWaalsContact C-N 3.33Å; V328-D330 PolarHBondContact O-N 3.44Å; D330-S334 VanDerWaalsContact O-CB 3.3Å; D330-S334 WeakPolarHBondContact O-CB 3.42Å; D330-S334 PolarHBondContact O-N 3.22Å; D330-S334 PolarHBondContact O-OG 2.87Å
331G93Very high92.5Very high29 Ų2933.7 Ų33.730%0.29919%0.191SC..Hα-helixtrans-63.5-46.6172.900000112.3N327 V328 I329 T335N327-G331 PolarHBondContact O-N 2.91Å; V328-G331 PolarHBondContact O-N 3Å; I329-G331 VanDerWaalsContact C-N 3.35Å; I329-G331 PolarHBondContact O-N 3.44Å; G331-T335 PolarHBondContact O-N 3.4Å; G331-T335 PolarHBondContact O-OG1 2.94Å
332I92.6Very high92.3Very high0 Ų032.2 Ų32.20%018%0.18CC..Hα-helixtrans-63.5-49.5176.5-60.2164.4000109.8M191 V279 L300 F307 L311 V328 I329 S334 T335 V336M191-I332 HydrophobicContact CE-CB 3.92Å; M191-I332 HydrophobicContact CE-CD1 3.74Å; M191-I332 HydrophobicContact CE-CG1 4.44Å; M191-I332 HydrophobicContact CE-CG2 3.84Å; M191-I332 HydrophobicContact SD-CD1 4.44Å; V279-I332 HydrophobicContact CG1-CG2 3.76Å; V279-I332 HydrophobicContact CG2-CG2 4.41Å; L300-I332 HydrophobicContact CD2-CG2 4.44Å; F307-I332 HydrophobicContact CB-CD1 4.27Å; F307-I332 HydrophobicContact CB-CG1 4.01Å; F307-I332 HydrophobicContact CD1-CD1 4.34Å; F307-I332 HydrophobicContact CD1-CG1 3.4Å; F307-I332 VanDerWaalsContact CD1-CG1 3.4Å; F307-I332 HydrophobicContact CD2-CG1 4.11Å; F307-I332 HydrophobicContact CE1-CG1 3.82Å; F307-I332 HydrophobicContact CE2-CG1 4.45Å; F307-I332 HydrophobicContact CG-CD1 4.37Å; F307-I332 HydrophobicContact CG-CG1 3.59Å; F307-I332 HydrophobicContact CZ-CG1 4.34Å; L311-I332 HydrophobicContact CD1-CD1 4.39Å; L311-I332 HydrophobicContact CG-CD1 4.47Å; V328-I332 HydrophobicContact CG1-CD1 4.16Å; V328-I332 WeakPolarHBondContact O-CG1 3.41Å; V328-I332 PolarHBondContact O-N 3.48Å; V328-I332 VanDerWaalsContact O-N 3.08Å; I329-I332 PolarHBondContact O-N 2.98Å; I332-S334 PolarHBondContact O-N 3.34Å; I332-T335 PolarHBondContact O-N 2.99Å; I332-V336 HydrophobicContact CG2-CG2 4.36Å; I332-V336 WeakPolarHBondContact O-CG2 3.35Å; I332-V336 PolarHBondContact O-N 3.21Å
333R93.1Very high91.9Very high35 Ų3530 Ų3013%0.13217%0.168CC..Hα-helixtrans-56.9-49.2180-173.9-137.967.193.2-0112.3K275 F278 V279 I329 T335 V336 A337 D554 E556K275-R333 HydrophobicContact CB-CG 4.5Å; F278-R333 HydrophobicContact CD1-CG 4Å; F278-R333 HydrophobicContact CE1-CG 4.21Å; V279-R333 HydrophobicContact CG2-CB 3.82Å; V279-R333 HydrophobicContact CG2-CG 4.14Å; I329-R333 VanDerWaalsContact O-CB 3.31Å; I329-R333 WeakPolarHBondContact O-CB 3.45Å; I329-R333 PolarHBondContact O-N 3.3Å; R333-T335 VanDerWaalsContact C-N 3.3Å; R333-T335 PolarHBondContact O-N 3.21Å; R333-V336 PolarHBondContact O-N 3.4Å; R333-A337 VanDerWaalsContact O-CB 3.3Å; R333-A337 WeakPolarHBondContact O-CB 3.23Å; R333-A337 PolarHBondContact O-N 2.76Å; R333-D554 IonicContact CZ-OD2 3.07Å; R333-D554 IonicContact NH1-OD1 3.76Å; R333-D554 IonicContact NH1-OD2 3.5Å; R333-D554 PolarHBondContact NH1-OD2 3.19Å; R333-D554 IonicContact NH2-OD2 2.86Å; R333-D554 PolarHBondContact NH2-OD2 3.08Å; R333-D554 VanDerWaalsContact NH2-OD2 3.12Å; R333-E556 WeakPolarHBondContact CD-OE2 3.38Å; R333-E556 IonicContact CZ-OE2 3.31Å; R333-E556 IonicContact NE-OE2 3.82Å; R333-E556 IonicContact NH1-OE2 2.59Å; R333-E556 PolarHBondContact NH1-OE2 3.38Å
334S92.2Very high91.4Very high53 Ų5325.3 Ų25.337%0.37114%0.14SC..Hα-helixtrans-63.6-38-178.2-55.30000111.9D330 I332 A337 E338D330-S334 VanDerWaalsContact O-CB 3.3Å; D330-S334 WeakPolarHBondContact O-CB 3.42Å; D330-S334 PolarHBondContact O-N 3.22Å; D330-S334 PolarHBondContact O-OG 2.87Å; I332-S334 PolarHBondContact O-N 3.34Å; S334-A337 PolarHBondContact O-N 2.85Å; S334-E338 WeakPolarHBondContact O-CB 3.3Å; S334-E338 PolarHBondContact O-N 3.42Å
335T90.3Very high91.1Very high20 Ų2024.1 Ų24.112%0.12313%0.134CC..Hα-helixtrans-64.2-48.8175.2-58.20000111.4Q303 F307 G331 I332 R333 A337 E338 H339Q303-T335 PolarHBondContact OE1-OG1 3.13Å; F307-T335 HydrophobicContact CE2-CG2 4.12Å; F307-T335 HydrophobicContact CZ-CG2 4.39Å; F307-T335 WeakPolarHBondContact CZ-OG1 3.29Å; G331-T335 PolarHBondContact O-N 3.4Å; G331-T335 PolarHBondContact O-OG1 2.94Å; I332-T335 PolarHBondContact O-N 2.99Å; R333-T335 VanDerWaalsContact C-N 3.3Å; R333-T335 PolarHBondContact O-N 3.21Å; T335-A337 VanDerWaalsContact C-N 3.33Å; T335-A337 PolarHBondContact O-N 3.21Å; T335-E338 PolarHBondContact O-N 3.28Å; T335-H339 PolarHBondContact O-N 3.26Å; T335-H339 PolarHBondContact O-ND1 3.13Å
336V89.3Confident90.7Very high0 Ų029.3 Ų29.30%016%0.158CC..Hα-helixtrans-59.9-44.6177.7166.50000111F278 V279 V283 I299 L300 I332 R333 E338 H339 L340F278-V336 HydrophobicContact CE1-CG1 4.37Å; V279-V336 HydrophobicContact CG1-CG2 4.26Å; V283-V336 HydrophobicContact CG2-CG2 4.47Å; I299-V336 HydrophobicContact CD1-CG1 4.16Å; L300-V336 HydrophobicContact CD2-CG2 3.44Å; L300-V336 VanDerWaalsContact CD2-CG2 3.44Å; I332-V336 HydrophobicContact CG2-CG2 4.36Å; I332-V336 WeakPolarHBondContact O-CG2 3.35Å; I332-V336 PolarHBondContact O-N 3.21Å; R333-V336 PolarHBondContact O-N 3.4Å; V336-E338 PolarHBondContact O-N 2.9Å; V336-H339 PolarHBondContact O-N 3.32Å; V336-L340 HydrophobicContact CG1-CD1 4.25Å; V336-L340 WeakPolarHBondContact O-CB 3.35Å; V336-L340 PolarHBondContact O-N 3.13Å
337A89.5Confident90.3Very high0 Ų033.2 Ų33.20%018%0.177CC..Hα-helixtrans-63.8-40179.600000112.9F278 R333 S334 T335 W341 D554 F555F278-A337 HydrophobicContact CE1-CB 4.4Å; R333-A337 VanDerWaalsContact O-CB 3.3Å; R333-A337 WeakPolarHBondContact O-CB 3.23Å; R333-A337 PolarHBondContact O-N 2.76Å; S334-A337 PolarHBondContact O-N 2.85Å; T335-A337 VanDerWaalsContact C-N 3.33Å; T335-A337 PolarHBondContact O-N 3.21Å; A337-W341 WeakPolarHBondContact O-CB 3.39Å; A337-W341 PolarHBondContact O-N 2.91Å; A337-D554 WeakPolarHBondContact CB-OD1 3.3Å; A337-F555 PolarHBondContact O-N 2.66Å
338E90.2Very high89.8Confident90 Ų9029.4 Ų29.442%0.42116%0.159SC..Hα-helixtrans-68-39.2176.2-177.7174.1-164.900112.2S334 T335 V336 W341 T342 R553S334-E338 WeakPolarHBondContact O-CB 3.3Å; S334-E338 PolarHBondContact O-N 3.42Å; T335-E338 PolarHBondContact O-N 3.28Å; V336-E338 PolarHBondContact O-N 2.9Å; E338-W341 WeakPolarHBondContact O-CB 3.35Å; E338-W341 PolarHBondContact O-N 3.36Å; E338-T342 PolarHBondContact O-N 3.01Å; E338-T342 PolarHBondContact O-OG1 3.34Å; E338-R553 WeakPolarHBondContact CA-O 3.34Å; E338-R553 IonicContact OE1-NE 2.83Å
339H86.6Confident89.5Confident31 Ų3133 Ų3314%0.14418%0.178CC..Hα-helixtrans-68.4-42.4176.3-76.683.9000111.9I299 K301 T335 V336 W341 T342 L343I299-H339 HydrophobicContact CD1-CB 4.29Å; I299-H339 HydrophobicContact CG1-CB 3.76Å; I299-H339 PolarHBondContact O-CD2 2.81Å; K301-H339 WeakPolarHBondContact CD-NE2 3.33Å; K301-H339 PolarHBondContact NZ-CD2 3.2Å; K301-H339 PolarHBondContact NZ-NE2 3.33Å; T335-H339 PolarHBondContact O-N 3.26Å; T335-H339 PolarHBondContact O-ND1 3.13Å; V336-H339 PolarHBondContact O-N 3.32Å; H339-W341 VanDerWaalsContact C-N 3.3Å; H339-W341 PolarHBondContact O-N 3.36Å; H339-T342 PolarHBondContact O-N 2.78Å; H339-L343 WeakPolarHBondContact O-CB 3.41Å; H339-L343 PolarHBondContact O-N 3.49Å
340L86.2Confident89.3Confident0 Ų033 Ų330%018%0.178CC..Hα-helixtrans-57.9-44.1171.6-95.4173.6000111.8F278 S282 F286 I299 V336 T342 L343 M344 I466 F555F278-L340 HydrophobicContact CE2-CD1 4.2Å; F278-L340 HydrophobicContact CZ-CD1 3.82Å; S282-L340 WeakPolarHBondContact OG-CD1 3.48Å; F286-L340 HydrophobicContact CE2-CD2 3.48Å; F286-L340 VanDerWaalsContact CE2-CD2 3.48Å; F286-L340 HydrophobicContact CE2-CG 4.11Å; F286-L340 HydrophobicContact CZ-CD2 3.9Å; F286-L340 HydrophobicContact CZ-CG 4.42Å; I299-L340 HydrophobicContact CD1-CG 3.98Å; V336-L340 HydrophobicContact CG1-CD1 4.25Å; V336-L340 WeakPolarHBondContact O-CB 3.35Å; V336-L340 PolarHBondContact O-N 3.13Å; L340-T342 VanDerWaalsContact C-N 3.34Å; L340-T342 PolarHBondContact O-N 3.34Å; L340-L343 PolarHBondContact O-N 2.91Å; L340-M344 WeakPolarHBondContact O-CB 3.45Å; L340-M344 WeakPolarHBondContact O-CG 3.22Å; L340-M344 PolarHBondContact O-N 3.31Å; L340-I466 HydrophobicContact CD2-CD1 4.12Å; L340-F555 HydrophobicContact CB-CB 3.81Å; L340-F555 HydrophobicContact CB-CD1 4.35Å; L340-F555 HydrophobicContact CB-CG 4.03Å; L340-F555 HydrophobicContact CD1-CD1 3.78Å; L340-F555 HydrophobicContact CD1-CE1 4.38Å; L340-F555 HydrophobicContact CD1-CG 4.31Å
341W90.3Very high89.2Confident16 Ų1633 Ų336%0.06118%0.177CC..Hα-helixtrans-58.4-48.4175.7-179.299.2000111.1A337 E338 H339 L343 M344 V345 E346 T552 R553 I558A337-W341 WeakPolarHBondContact O-CB 3.39Å; A337-W341 PolarHBondContact O-N 2.91Å; E338-W341 WeakPolarHBondContact O-CB 3.35Å; E338-W341 PolarHBondContact O-N 3.36Å; H339-W341 VanDerWaalsContact C-N 3.3Å; H339-W341 PolarHBondContact O-N 3.36Å; W341-L343 PolarHBondContact O-N 3.49Å; W341-M344 PolarHBondContact O-N 2.96Å; W341-V345 HydrophobicContact CD2-CB 4.32Å; W341-V345 HydrophobicContact CD2-CG2 4.12Å; W341-V345 HydrophobicContact CG-CG2 4.3Å; W341-V345 HydrophobicContact CH2-CB 4.28Å; W341-V345 HydrophobicContact CH2-CG1 4.07Å; W341-V345 HydrophobicContact CZ2-CB 4.08Å; W341-V345 HydrophobicContact CZ2-CG1 3.88Å; W341-V345 HydrophobicContact CZ2-CG2 4.14Å; W341-V345 WeakPolarHBondContact O-CB 3.49Å; W341-V345 WeakPolarHBondContact O-CG2 3.4Å; W341-V345 PolarHBondContact O-N 3.28Å; W341-E346 HydrophobicContact CZ3-CG 4.06Å; W341-E346 WeakPolarHBondContact CZ3-OE1 3.31Å; W341-T552 PolarHBondContact NE1-O 3.41Å; W341-R553 HydrophobicContact CD2-CB 4.47Å; W341-R553 VanDerWaalsContact CZ3-CZ 3.43Å; W341-R553 VanDerWaalsContact CZ3-NH2 3.27Å; W341-I558 HydrophobicContact CG-CD1 4.34Å
342T88.9Confident89.1Confident28 Ų2835.8 Ų35.817%0.17218%0.183CC..Hα-helixtrans-61.1-47.1-179.9-55.60000110.6E338 H339 L340 M344 E346 E347E338-T342 PolarHBondContact O-N 3.01Å; E338-T342 PolarHBondContact O-OG1 3.34Å; H339-T342 PolarHBondContact O-N 2.78Å; L340-T342 VanDerWaalsContact C-N 3.34Å; L340-T342 PolarHBondContact O-N 3.34Å; T342-M344 PolarHBondContact O-N 2.72Å; T342-E346 HydrophobicContact CG2-CB 4.48Å; T342-E346 HydrophobicContact CG2-CG 4.39Å; T342-E346 WeakPolarHBondContact CG2-OE2 3.37Å; T342-E346 WeakPolarHBondContact O-CA 3.37Å; T342-E346 VanDerWaalsContact O-CB 3.24Å; T342-E346 WeakPolarHBondContact O-CB 3.48Å; T342-E346 PolarHBondContact O-N 3Å; T342-E347 PolarHBondContact O-N 3.39Å
343L85.9Confident89Confident8 Ų837.8 Ų37.84%0.04219%0.191CC..Iπ-helixtrans-58.5-46.5176.317873.2000111.6F286 H339 L340 W341 E347 A348 W462 P463F286-L343 HydrophobicContact CE1-CD2 3.47Å; F286-L343 VanDerWaalsContact CE1-CD2 3.47Å; F286-L343 HydrophobicContact CE1-CG 4.46Å; F286-L343 HydrophobicContact CE2-CD2 3.97Å; F286-L343 HydrophobicContact CZ-CB 4.35Å; F286-L343 HydrophobicContact CZ-CD2 3.15Å; F286-L343 HydrophobicContact CZ-CG 4.28Å; H339-L343 WeakPolarHBondContact O-CB 3.41Å; H339-L343 PolarHBondContact O-N 3.49Å; L340-L343 PolarHBondContact O-N 2.91Å; W341-L343 PolarHBondContact O-N 3.49Å; L343-E347 HydrophobicContact CD1-CB 4.12Å; L343-E347 HydrophobicContact CD1-CG 4.35Å; L343-E347 VanDerWaalsContact CD1-OE2 3.25Å; L343-E347 WeakPolarHBondContact CD1-OE2 3.4Å; L343-E347 CarbonylContact O-C 3.53Å; L343-E347 WeakPolarHBondContact O-CB 3.28Å; L343-E347 PolarHBondContact O-N 3.16Å; L343-A348 WeakPolarHBondContact O-CB 3.25Å; L343-A348 PolarHBondContact O-N 2.75Å; L343-W462 HydrophobicContact CD1-CH2 4.1Å; L343-W462 HydrophobicContact CD1-CZ3 4.1Å; L343-W462 HydrophobicContact CD2-CH2 3.46Å; L343-W462 VanDerWaalsContact CD2-CH2 3.46Å; L343-W462 HydrophobicContact CD2-CZ2 4.05Å; L343-W462 HydrophobicContact CD2-CZ3 3.96Å; L343-W462 HydrophobicContact CG-CH2 4.39Å; L343-P463 HydrophobicContact CD2-CB 3.74Å; L343-P463 HydrophobicContact CD2-CG 3.75Å; L343-P463 HydrophobicContact CG-CB 4.47Å; L343-P463 HydrophobicContact CG-CG 3.94Å
344M85.6Confident89Confident0 Ų036.2 Ų36.20%019%0.186CC..Iπ-helixtrans-76-44.3-173.9-74-171.769.800113.2L340 W341 T342 A348 L350 P463 L464 L467 F555L340-M344 WeakPolarHBondContact O-CB 3.45Å; L340-M344 WeakPolarHBondContact O-CG 3.22Å; L340-M344 PolarHBondContact O-N 3.31Å; W341-M344 PolarHBondContact O-N 2.96Å; T342-M344 PolarHBondContact O-N 2.72Å; M344-A348 CarbonylContact O-C 3.44Å; M344-L350 HydrophobicContact CE-CD1 4.43Å; M344-L350 HydrophobicContact CE-CD2 4.38Å; M344-L350 WeakPolarHBondContact O-CB 3.49Å; M344-L350 PolarHBondContact O-N 2.88Å; M344-P463 HydrophobicContact CG-CG 4.14Å; M344-L464 HydrophobicContact CB-CD2 4.4Å; M344-L464 HydrophobicContact CE-CD2 3.64Å; M344-L464 HydrophobicContact CG-CD2 4.35Å; M344-L467 HydrophobicContact CE-CB 3.74Å; M344-L467 HydrophobicContact CE-CD2 4.32Å; M344-F555 HydrophobicContact CE-CD2 4.41Å; M344-F555 HydrophobicContact CE-CE2 3.67Å; M344-F555 HydrophobicContact CE-CZ 4.42Å; M344-F555 HydrophobicContact SD-CD2 3.42Å; M344-F555 WeakPolarHBondContact SD-CD2 3.24Å; M344-F555 HydrophobicContact SD-CE2 3.06Å; M344-F555 WeakPolarHBondContact SD-CE2 3.4Å; M344-F555 HydrophobicContact SD-CG 4.43Å; M344-F555 HydrophobicContact SD-CZ 3.79Å
345V88.5Confident89Confident18 Ų1839 Ų3911%0.10919%0.191CC..Iπ-helixtrans-82.7-43.3-174.6-1800000111.4W341 L350 I549 I558W341-V345 HydrophobicContact CD2-CB 4.32Å; W341-V345 HydrophobicContact CD2-CG2 4.12Å; W341-V345 HydrophobicContact CG-CG2 4.3Å; W341-V345 HydrophobicContact CH2-CB 4.28Å; W341-V345 HydrophobicContact CH2-CG1 4.07Å; W341-V345 HydrophobicContact CZ2-CB 4.08Å; W341-V345 HydrophobicContact CZ2-CG1 3.88Å; W341-V345 HydrophobicContact CZ2-CG2 4.14Å; W341-V345 WeakPolarHBondContact O-CB 3.49Å; W341-V345 WeakPolarHBondContact O-CG2 3.4Å; W341-V345 PolarHBondContact O-N 3.28Å; V345-L350 HydrophobicContact CG2-CD2 4.23Å; V345-I549 HydrophobicContact CG2-CG2 4.4Å; V345-I558 HydrophobicContact CG2-CD1 3.82Å
346E87.3Confident89.1Confident108 Ų10838.6 Ų38.651%0.50519%0.188SC..Iπ-helixtrans-92.9-41.7-174.6-54.4-177.2177.500112.8W341 T342 R553W341-E346 HydrophobicContact CZ3-CG 4.06Å; W341-E346 WeakPolarHBondContact CZ3-OE1 3.31Å; T342-E346 HydrophobicContact CG2-CB 4.48Å; T342-E346 HydrophobicContact CG2-CG 4.39Å; T342-E346 WeakPolarHBondContact CG2-OE2 3.37Å; T342-E346 WeakPolarHBondContact O-CA 3.37Å; T342-E346 VanDerWaalsContact O-CB 3.24Å; T342-E346 WeakPolarHBondContact O-CB 3.48Å; T342-E346 PolarHBondContact O-N 3Å; E346-R553 IonicContact OE1-NH2 3.08Å
347E86.4Confident89.2Confident107 Ų10738.7 Ų38.750%0.519%0.189SC..Iπ-helixtrans-92.3-30.9-176.6-57.3-174.8-156.800114.4R295 T342 L343R295-E347 IonicContact CZ-OE2 3.69Å; R295-E347 IonicContact NE-OE2 3.39Å; R295-E347 IonicContact NH2-OE2 2.95Å; R295-E347 PolarHBondContact NH2-OE2 3.11Å; T342-E347 PolarHBondContact O-N 3.39Å; L343-E347 HydrophobicContact CD1-CB 4.12Å; L343-E347 HydrophobicContact CD1-CG 4.35Å; L343-E347 VanDerWaalsContact CD1-OE2 3.25Å; L343-E347 WeakPolarHBondContact CD1-OE2 3.4Å; L343-E347 CarbonylContact O-C 3.53Å; L343-E347 WeakPolarHBondContact O-CB 3.28Å; L343-E347 PolarHBondContact O-N 3.16Å
348A84.8Confident89.4Confident18 Ų1840.2 Ų40.215%0.14920%0.195CC..SBendtrans-105.25.4-175.800000113.9L343 M344 L350 P463 L464L343-A348 WeakPolarHBondContact O-CB 3.25Å; L343-A348 PolarHBondContact O-N 2.75Å; M344-A348 CarbonylContact O-C 3.44Å; A348-L350 VanDerWaalsContact C-N 3.32Å; A348-L350 PolarHBondContact O-N 3.37Å; A348-P463 HydrophobicContact CB-CG 3.81Å; A348-L464 HydrophobicContact CB-CD2 3.96Å; A348-L464 HydrophobicContact CB-CG 4.2Å
349D89.3Confident89.5Confident89 Ų8937.4 Ų37.448%0.47618%0.183SC..  trans49.147.5178-67.1-45.9000113.6L351 E352 K353D349-L351 PolarHBondContact O-N 2.9Å; D349-E352 HydrophobicContact CB-CB 4.11Å; D349-E352 WeakPolarHBondContact O-CB 3.31Å; D349-E352 PolarHBondContact O-N 2.8Å; D349-K353 PolarHBondContact O-N 3.29Å; D349-K353 VanDerWaalsContact O-N 3.1Å
350L91.4Very high89.8Confident0 Ų036 Ų360%018%0.177CC..Hα-helixtrans-49.2-39.1-178.7171.163000112.7M344 V345 A348 E352 K353 L354 L464 L467 F468 I558M344-L350 HydrophobicContact CE-CD1 4.43Å; M344-L350 HydrophobicContact CE-CD2 4.38Å; M344-L350 WeakPolarHBondContact O-CB 3.49Å; M344-L350 PolarHBondContact O-N 2.88Å; V345-L350 HydrophobicContact CG2-CD2 4.23Å; A348-L350 VanDerWaalsContact C-N 3.32Å; A348-L350 PolarHBondContact O-N 3.37Å; L350-E352 VanDerWaalsContact C-N 3.33Å; L350-E352 PolarHBondContact O-N 3.45Å; L350-K353 PolarHBondContact O-N 3.28Å; L350-L354 HydrophobicContact CD1-CD1 4.01Å; L350-L354 HydrophobicContact CD1-CG 3.94Å; L350-L354 HydrophobicContact CG-CD1 3.93Å; L350-L354 HydrophobicContact CG-CG 4.33Å; L350-L354 WeakPolarHBondContact O-CB 3.34Å; L350-L354 WeakPolarHBondContact O-CG 3.38Å; L350-L354 PolarHBondContact O-N 3.2Å; L350-L464 HydrophobicContact CB-CD2 4.11Å; L350-L464 HydrophobicContact CD1-CD2 3.96Å; L350-L467 HydrophobicContact CD1-CD2 3.56Å; L350-L467 HydrophobicContact CD2-CD2 4.16Å; L350-F468 HydrophobicContact CD1-CE2 4.04Å; L350-F468 HydrophobicContact CD1-CZ 4.19Å; L350-I558 HydrophobicContact CD2-CD1 4.42Å; L350-I558 HydrophobicContact CD2-CG2 4.01Å
351L91.6Very high90.2Very high42 Ų4236.1 Ų36.122%0.2218%0.177CC..Hα-helixtrans-64.1-36.7179.6-65.8-179.7000112.7D349 K355 L546 I549D349-L351 PolarHBondContact O-N 2.9Å; L351-K355 WeakPolarHBondContact O-CG 3.46Å; L351-K355 PolarHBondContact O-N 3.44Å; L351-L546 HydrophobicContact CD2-CD2 3.69Å; L351-I549 HydrophobicContact CD2-CB 4.43Å; L351-I549 HydrophobicContact CD2-CG2 3.77Å
352E90.7Very high90.4Very high88 Ų8835.7 Ų35.741%0.41118%0.176SC..Hα-helixtrans-69-46174-171.9-168-130.400110D349 L350 L354 K355 I356D349-E352 HydrophobicContact CB-CB 4.11Å; D349-E352 WeakPolarHBondContact O-CB 3.31Å; D349-E352 PolarHBondContact O-N 2.8Å; L350-E352 VanDerWaalsContact C-N 3.33Å; L350-E352 PolarHBondContact O-N 3.45Å; E352-L354 VanDerWaalsContact C-N 3.32Å; E352-L354 PolarHBondContact O-N 3.41Å; E352-K355 WeakPolarHBondContact O-CA 3.4Å; E352-K355 WeakPolarHBondContact O-CB 3.45Å; E352-K355 PolarHBondContact O-N 3.46Å; E352-I356 WeakPolarHBondContact O-CG1 3.15Å; E352-I356 PolarHBondContact O-N 3.35Å
353K90.9Very high90.6Very high43 Ų4334.7 Ų34.719%0.18717%0.169CC..Hα-helixtrans-66-33.7-179.5-55.8-43.6-179.6-152.80112.7D349 L350 K355 I356 V357 L464D349-K353 PolarHBondContact O-N 3.29Å; D349-K353 VanDerWaalsContact O-N 3.1Å; L350-K353 PolarHBondContact O-N 3.28Å; K353-K355 VanDerWaalsContact C-N 3.33Å; K353-I356 HydrophobicContact CD-CD1 3.72Å; K353-I356 WeakPolarHBondContact O-CB 2.85Å; K353-I356 PolarHBondContact O-N 3.33Å; K353-V357 WeakPolarHBondContact O-CG2 3.1Å; K353-V357 PolarHBondContact O-N 3.11Å; K353-L464 HydrophobicContact CB-CD1 3.73Å; K353-L464 HydrophobicContact CG-CD1 3.4Å
354L93Very high90.8Very high2 Ų236.3 Ų36.31%0.0119%0.188CC..Hα-helixtrans-63.4-37.5170-79.8169.5000112.3L350 E352 V357 K358 F468 F542 L545 I549L350-L354 HydrophobicContact CD1-CD1 4.01Å; L350-L354 HydrophobicContact CD1-CG 3.94Å; L350-L354 HydrophobicContact CG-CD1 3.93Å; L350-L354 HydrophobicContact CG-CG 4.33Å; L350-L354 WeakPolarHBondContact O-CB 3.34Å; L350-L354 WeakPolarHBondContact O-CG 3.38Å; L350-L354 PolarHBondContact O-N 3.2Å; E352-L354 VanDerWaalsContact C-N 3.32Å; E352-L354 PolarHBondContact O-N 3.41Å; L354-V357 PolarHBondContact O-N 2.87Å; L354-K358 WeakPolarHBondContact O-CB 2.9Å; L354-K358 PolarHBondContact O-N 3.39Å; L354-F468 HydrophobicContact CD2-CE1 3.89Å; L354-F468 HydrophobicContact CD2-CZ 3.65Å; L354-F468 HydrophobicContact CG-CZ 4.07Å; L354-F542 HydrophobicContact CB-CE2 4.38Å; L354-L545 HydrophobicContact CD2-CD2 4.39Å; L354-I549 HydrophobicContact CD1-CD1 3.4Å
355K92Very high91Very high112 Ų11240.1 Ų40.149%0.48720%0.202SC..Hα-helixtrans-65.5-39.5172.6-70.6170.6-176176.10111.4L351 E352 K353 K358 D359 F542L351-K355 WeakPolarHBondContact O-CG 3.46Å; L351-K355 PolarHBondContact O-N 3.44Å; E352-K355 WeakPolarHBondContact O-CA 3.4Å; E352-K355 WeakPolarHBondContact O-CB 3.45Å; E352-K355 PolarHBondContact O-N 3.46Å; K353-K355 VanDerWaalsContact C-N 3.33Å; K355-K358 WeakPolarHBondContact O-CB 3.48Å; K355-K358 PolarHBondContact O-N 3.04Å; K355-D359 WeakPolarHBondContact O-CB 3.28Å; K355-D359 VanDerWaalsContact O-CG 3.25Å; K355-D359 PolarHBondContact O-N 3.45Å; K355-F542 HydrophobicContact CG-CE1 4.48Å; K355-F542 HydrophobicContact CG-CZ 4.2Å
356I91.9Very high91.1Very high10 Ų1040.3 Ų40.35%0.05121%0.208CC..Hα-helixtrans-60.9-49.8173.3-62.4173.9000109.9E352 K353 K358 D359 F360 L410 Y458E352-I356 WeakPolarHBondContact O-CG1 3.15Å; E352-I356 PolarHBondContact O-N 3.35Å; K353-I356 HydrophobicContact CD-CD1 3.72Å; K353-I356 WeakPolarHBondContact O-CB 2.85Å; K353-I356 PolarHBondContact O-N 3.33Å; I356-K358 VanDerWaalsContact C-N 3.26Å; I356-K358 PolarHBondContact O-N 3.33Å; I356-D359 PolarHBondContact O-N 3.28Å; I356-D359 VanDerWaalsContact O-N 3.08Å; I356-F360 HydrophobicContact CG2-CD2 3.77Å; I356-F360 HydrophobicContact CG2-CE2 4.02Å; I356-F360 VanDerWaalsContact O-CD2 3.25Å; I356-F360 WeakPolarHBondContact O-CD2 3.41Å; I356-F360 PolarHBondContact O-N 2.95Å; I356-L410 HydrophobicContact CD1-CD1 3.57Å; I356-L410 HydrophobicContact CD1-CG 4.36Å; I356-L410 HydrophobicContact CG1-CD1 3.73Å; I356-L410 HydrophobicContact CG2-CD1 4.04Å; I356-L410 HydrophobicContact CG2-CG 4.39Å; I356-Y458 HydrophobicContact CG2-CE2 4.4Å
357V93Very high91.2Very high3 Ų341 Ų412%0.01821%0.211CC..Hα-helixtrans-56.4-42.6177.1170.20000111K353 L354 Y361 Y458 F468 Y476K353-V357 WeakPolarHBondContact O-CG2 3.1Å; K353-V357 PolarHBondContact O-N 3.11Å; L354-V357 PolarHBondContact O-N 2.87Å; V357-Y361 HydrophobicContact CG1-CD2 4Å; V357-Y361 VanDerWaalsContact O-CB 3.32Å; V357-Y361 WeakPolarHBondContact O-CB 3.39Å; V357-Y361 PolarHBondContact O-N 3.34Å; V357-Y458 HydrophobicContact CG2-CD1 4.28Å; V357-Y458 HydrophobicContact CG2-CE1 4.28Å; V357-F468 HydrophobicContact CG2-CD1 4.47Å; V357-F468 HydrophobicContact CG2-CE1 3.93Å; V357-F468 HydrophobicContact CG2-CZ 4.09Å; V357-Y476 HydrophobicContact CG1-CD1 4.1Å; V357-Y476 HydrophobicContact CG1-CD2 4.22Å; V357-Y476 HydrophobicContact CG1-CE1 3.85Å; V357-Y476 HydrophobicContact CG1-CE2 3.98Å; V357-Y476 HydrophobicContact CG1-CG 4.28Å
358K93.8Very high91.6Very high31 Ų3136 Ų3614%0.13519%0.188CC..Hα-helixtrans-62-48.1173.1179.2-169.2175-168.70112.6L354 K355 I356 F360 L362 L363 G364 E539 F542L354-K358 WeakPolarHBondContact O-CB 2.9Å; L354-K358 PolarHBondContact O-N 3.39Å; K355-K358 WeakPolarHBondContact O-CB 3.48Å; K355-K358 PolarHBondContact O-N 3.04Å; I356-K358 VanDerWaalsContact C-N 3.26Å; I356-K358 PolarHBondContact O-N 3.33Å; K358-F360 PolarHBondContact O-N 2.84Å; K358-L362 HydrophobicContact CB-CD1 4.31Å; K358-L362 HydrophobicContact CG-CB 4.31Å; K358-L362 HydrophobicContact CG-CD1 4.18Å; K358-L362 CarbonylContact O-C 3.58Å; K358-L362 VanDerWaalsContact O-CA 3.31Å; K358-L362 WeakPolarHBondContact O-CA 3.1Å; K358-L362 VanDerWaalsContact O-CB 3.25Å; K358-L362 WeakPolarHBondContact O-CB 3.47Å; K358-L362 PolarHBondContact O-N 2.98Å; K358-L362 VanDerWaalsContact O-N 3.08Å; K358-L363 PolarHBondContact O-N 2.91Å; K358-G364 PolarHBondContact O-N 3.41Å; K358-E539 WeakPolarHBondContact CE-OE1 3.36Å; K358-E539 IonicContact NZ-OE1 3.54Å; K358-E539 PolarHBondContact NZ-OE1 3.42Å; K358-E539 IonicContact NZ-OE2 3.32Å; K358-E539 PolarHBondContact NZ-OE2 3.4Å; K358-F542 HydrophobicContact CB-CD2 4.36Å; K358-F542 HydrophobicContact CB-CE2 3.89Å; K358-F542 HydrophobicContact CB-CZ 4.1Å; K358-F542 HydrophobicContact CD-CD1 3.62Å; K358-F542 HydrophobicContact CD-CD2 4.01Å; K358-F542 HydrophobicContact CD-CE1 3.54Å; K358-F542 HydrophobicContact CD-CE2 3.98Å; K358-F542 HydrophobicContact CD-CG 3.83Å; K358-F542 HydrophobicContact CD-CZ 3.74Å; K358-F542 HydrophobicContact CG-CD2 4.43Å; K358-F542 HydrophobicContact CG-CE2 4.37Å; K358-F542 HydrophobicContact CG-CZ 4.5Å
359D92Very high92Very high32 Ų3235.2 Ų35.217%0.17118%0.181CC..Hα-helixtrans-59.5-37.1-176-81-3.7000112.3K355 I356 L363 G364 R365K355-D359 WeakPolarHBondContact O-CB 3.28Å; K355-D359 VanDerWaalsContact O-CG 3.25Å; K355-D359 PolarHBondContact O-N 3.45Å; I356-D359 PolarHBondContact O-N 3.28Å; I356-D359 VanDerWaalsContact O-N 3.08Å; D359-L363 CarbonylContact O-C 3.58Å; D359-G364 PolarHBondContact O-N 3.25Å; D359-R365 HydrophobicContact CB-CG 3.95Å; D359-R365 PolarHBondContact O-N 3.22Å; D359-R365 IonicContact OD2-CZ 2.65Å; D359-R365 VanDerWaalsContact OD2-CZ 3.27Å; D359-R365 IonicContact OD2-NE 2.74Å; D359-R365 PolarHBondContact OD2-NE 3.26Å; D359-R365 IonicContact OD2-NH2 2.86Å; D359-R365 PolarHBondContact OD2-NH2 3.29Å
360F92.8Very high92.1Very high1 Ų133 Ų330%0.00417%0.168CC..Hα-helixtrans-99.9-56.4-175.5-66.7-83.1000113.4I356 K358 L368 Y369 F396 L405 L410 L414 L456 F480I356-F360 HydrophobicContact CG2-CD2 3.77Å; I356-F360 HydrophobicContact CG2-CE2 4.02Å; I356-F360 VanDerWaalsContact O-CD2 3.25Å; I356-F360 WeakPolarHBondContact O-CD2 3.41Å; I356-F360 PolarHBondContact O-N 2.95Å; K358-F360 PolarHBondContact O-N 2.84Å; F360-L368 HydrophobicContact CD1-CD2 4.27Å; F360-L368 HydrophobicContact CE1-CD2 3.62Å; F360-L368 HydrophobicContact CZ-CD2 4.41Å; F360-Y369 WeakPolarHBondContact CA-OH 3.25Å; F360-Y369 PolarHBondContact O-OH 3.14Å; F360-F396 AromaticContact CD1-CZ 3.83Å; F360-F396 HydrophobicContact CD1-CZ 3.83Å; F360-F396 HydrophobicContact CE1-CE1 4.31Å; F360-F396 AromaticContact CE1-CZ 3.77Å; F360-F396 HydrophobicContact CE1-CZ 3.77Å; F360-L405 HydrophobicContact CZ-CD2 4.37Å; F360-L410 HydrophobicContact CD2-CD2 4.39Å; F360-L410 HydrophobicContact CE1-CD2 4.35Å; F360-L410 HydrophobicContact CE2-CD1 4.19Å; F360-L410 HydrophobicContact CE2-CD2 3.38Å; F360-L410 HydrophobicContact CE2-CG 4.38Å; F360-L410 HydrophobicContact CZ-CD2 3.33Å; F360-L414 HydrophobicContact CB-CD1 4.37Å; F360-L414 HydrophobicContact CB-CD2 4.34Å; F360-L414 HydrophobicContact CD1-CD1 3.46Å; F360-L414 VanDerWaalsContact CD1-CD1 3.46Å; F360-L414 HydrophobicContact CD2-CD1 3.53Å; F360-L414 HydrophobicContact CE1-CD1 3.44Å; F360-L414 VanDerWaalsContact CE1-CD1 3.44Å; F360-L414 HydrophobicContact CE2-CD1 3.59Å; F360-L414 HydrophobicContact CG-CD1 3.5Å; F360-L414 VanDerWaalsContact CG-CD1 3.5Å; F360-L414 HydrophobicContact CG-CD2 4.3Å; F360-L414 HydrophobicContact CZ-CD1 3.52Å; F360-L456 HydrophobicContact CB-CD2 3.81Å; F360-F480 WeakPolarHBondContact O-CD2 3.48Å
361Y93.8Very high92.2Very high2 Ų234.8 Ų34.81%0.00818%0.179CC..Hα-helixtrans-70-36.5179.6-76.6-83.3000112.5V357 L456 Y458 L473 Y476 N477 F480V357-Y361 HydrophobicContact CG1-CD2 4Å; V357-Y361 VanDerWaalsContact O-CB 3.32Å; V357-Y361 WeakPolarHBondContact O-CB 3.39Å; V357-Y361 PolarHBondContact O-N 3.34Å; Y361-L456 HydrophobicContact CD1-CB 4.29Å; Y361-L456 HydrophobicContact CD1-CD2 3.89Å; Y361-L456 HydrophobicContact CD1-CG 4.43Å; Y361-L456 HydrophobicContact CD2-CD2 3.86Å; Y361-L456 HydrophobicContact CE1-CB 3.8Å; Y361-L456 HydrophobicContact CE1-CD2 3.92Å; Y361-L456 HydrophobicContact CE1-CG 3.98Å; Y361-L456 WeakPolarHBondContact CE1-O 3.27Å; Y361-L456 HydrophobicContact CE2-CD2 3.91Å; Y361-L456 HydrophobicContact CE2-CG 4.28Å; Y361-L456 HydrophobicContact CG-CD2 3.86Å; Y361-L456 PolarHBondContact OH-O 3.43Å; Y361-Y458 PolarHBondContact OH-N 3.18Å; Y361-L473 HydrophobicContact CE2-CD2 4.22Å; Y361-Y476 HydrophobicContact CG-CG 4.41Å; Y361-N477 HydrophobicContact CE1-CB 4.2Å; Y361-F480 HydrophobicContact CD1-CB 3.93Å; Y361-F480 HydrophobicContact CD1-CG 4.43Å; Y361-F480 VanDerWaalsContact O-CA 3.24Å; Y361-F480 WeakPolarHBondContact O-CA 3.29Å; Y361-F480 VanDerWaalsContact O-CB 3.29Å; Y361-F480 WeakPolarHBondContact O-CB 3.47Å
362L94.7Very high92.4Very high7 Ų732.8 Ų32.84%0.03717%0.169CC..THydrogen-bonded Turntrans-96.711.3-178.1-50.4178.1000112.9K358 G364 Y476 V479 L483 L538 F565 L569K358-L362 HydrophobicContact CB-CD1 4.31Å; K358-L362 HydrophobicContact CG-CB 4.31Å; K358-L362 HydrophobicContact CG-CD1 4.18Å; K358-L362 CarbonylContact O-C 3.58Å; K358-L362 VanDerWaalsContact O-CA 3.31Å; K358-L362 WeakPolarHBondContact O-CA 3.1Å; K358-L362 VanDerWaalsContact O-CB 3.25Å; K358-L362 WeakPolarHBondContact O-CB 3.47Å; K358-L362 PolarHBondContact O-N 2.98Å; K358-L362 VanDerWaalsContact O-N 3.08Å; L362-G364 VanDerWaalsContact C-N 3.26Å; L362-G364 PolarHBondContact O-N 2.85Å; L362-Y476 HydrophobicContact CD1-CE1 4.5Å; L362-Y476 HydrophobicContact CD2-CD1 4.22Å; L362-Y476 HydrophobicContact CD2-CE1 4.42Å; L362-V479 HydrophobicContact CD2-CB 4.47Å; L362-V479 HydrophobicContact CD2-CG1 3.59Å; L362-L483 HydrophobicContact CB-CD1 4.43Å; L362-L483 HydrophobicContact CD2-CD1 4.34Å; L362-L538 HydrophobicContact CB-CD1 4.3Å; L362-L538 HydrophobicContact CB-CD2 4.33Å; L362-L538 HydrophobicContact CD1-CD2 4.13Å; L362-L538 HydrophobicContact CD2-CD2 3.98Å; L362-L538 HydrophobicContact CG-CD2 4.37Å; L362-F565 HydrophobicContact CD1-CZ 4Å; L362-L569 HydrophobicContact CD1-CD1 3.91Å; L362-L569 HydrophobicContact CD2-CD1 3.89Å; L362-L569 HydrophobicContact CD2-CD2 4.31Å
363L93.1Very high92.5Very high7 Ų728.8 Ų28.84%0.03715%0.15CC..  trans54.434.9180-49.1-175.6000114.3K358 D359 R365 Y369 F480 L483 L484 R487K358-L363 PolarHBondContact O-N 2.91Å; D359-L363 CarbonylContact O-C 3.58Å; L363-R365 PolarHBondContact O-N 2.94Å; L363-Y369 HydrophobicContact CB-CD2 4.2Å; L363-Y369 HydrophobicContact CB-CE2 4.49Å; L363-Y369 HydrophobicContact CD2-CD1 3.74Å; L363-Y369 HydrophobicContact CD2-CD2 3.54Å; L363-Y369 HydrophobicContact CD2-CE1 3.68Å; L363-Y369 HydrophobicContact CD2-CE2 3.47Å; L363-Y369 VanDerWaalsContact CD2-CE2 3.47Å; L363-Y369 HydrophobicContact CD2-CG 3.67Å; L363-Y369 HydrophobicContact CG-CD2 4.44Å; L363-F480 HydrophobicContact CD2-CD2 3.76Å; L363-F480 HydrophobicContact CD2-CE2 3.65Å; L363-L483 VanDerWaalsContact CD1-C 3.5Å; L363-L483 HydrophobicContact CD1-CB 3.61Å; L363-L483 HydrophobicContact CG-CB 4.01Å; L363-L484 HydrophobicContact CD1-CB 4.38Å; L363-L484 HydrophobicContact CD2-CD1 4.48Å; L363-R487 HydrophobicContact CD1-CB 4.27Å
364G90.1Very high92.5Very high42 Ų4231.5 Ų31.543%0.43317%0.166SC..  trans-56.7-34176.200000112.8K358 D359 L362 G366K358-G364 PolarHBondContact O-N 3.41Å; D359-G364 PolarHBondContact O-N 3.25Å; L362-G364 VanDerWaalsContact C-N 3.26Å; L362-G364 PolarHBondContact O-N 2.85Å; G364-G366 PolarHBondContact O-N 3.4Å; G364-G366 VanDerWaalsContact O-N 3.13Å
365R89.7Confident92.5Very high80 Ų8033.8 Ų33.830%0.30218%0.179SC..  trans-86.870.5173.5-67-178.7-174.6-92.3-5.9111.8D359 L363 E367 L368 Y369D359-R365 HydrophobicContact CB-CG 3.95Å; D359-R365 PolarHBondContact O-N 3.22Å; D359-R365 IonicContact OD2-CZ 2.65Å; D359-R365 VanDerWaalsContact OD2-CZ 3.27Å; D359-R365 IonicContact OD2-NE 2.74Å; D359-R365 PolarHBondContact OD2-NE 3.26Å; D359-R365 IonicContact OD2-NH2 2.86Å; D359-R365 PolarHBondContact OD2-NH2 3.29Å; L363-R365 PolarHBondContact O-N 2.94Å; R365-E367 PolarHBondContact O-N 3.32Å; R365-L368 HydrophobicContact CB-CB 3.99Å; R365-L368 HydrophobicContact CB-CD2 4.47Å; R365-L368 WeakPolarHBondContact O-CB 3.43Å; R365-L368 PolarHBondContact O-N 2.98Å; R365-L368 VanDerWaalsContact O-N 3.16Å; R365-Y369 WeakPolarHBondContact O-CD2 3.4Å; R365-Y369 PolarHBondContact O-N 3.22Å
366G90.1Very high92.5Very high22 Ų2228.5 Ų28.523%0.22716%0.155CC..Hα-helixtrans-58.2-32-176.300000114.9G364 Q370G364-G366 PolarHBondContact O-N 3.4Å; G364-G366 VanDerWaalsContact O-N 3.13Å; G366-Q370 WeakPolarHBondContact O-CB 3.28Å; G366-Q370 PolarHBondContact O-N 3.31Å
367E91.1Very high92.3Very high123 Ų12329.4 Ų29.458%0.57516%0.16SC*.Hα-helixtrans-67.3-41.5176.352.2179.6-169.500113.2R365 Q370 V371 V403R365-E367 PolarHBondContact O-N 3.32Å; E367-Q370 WeakPolarHBondContact O-CB 3.32Å; E367-Q370 PolarHBondContact O-N 3Å; E367-V371 PolarHBondContact O-N 3.47Å; E367-V371 VanDerWaalsContact O-N 3.13Å; E367-V403 HydrophobicContact CB-CG1 4.4Å; E367-V403 VanDerWaalsContact CD-CG1 3.46Å; E367-V403 HydrophobicContact CG-CG1 3.72Å; E367-V403 WeakPolarHBondContact OE1-CG1 3.34Å
368L93.1Very high91.9Very high3 Ų336.2 Ų36.22%0.01619%0.191CC..Hα-helixtrans-60.1-51.3176.1172.362.8000110.3F360 R365 Q370 V371 F372 F396 A399 A400F360-L368 HydrophobicContact CD1-CD2 4.27Å; F360-L368 HydrophobicContact CE1-CD2 3.62Å; F360-L368 HydrophobicContact CZ-CD2 4.41Å; R365-L368 HydrophobicContact CB-CB 3.99Å; R365-L368 HydrophobicContact CB-CD2 4.47Å; R365-L368 WeakPolarHBondContact O-CB 3.43Å; R365-L368 PolarHBondContact O-N 2.98Å; R365-L368 VanDerWaalsContact O-N 3.16Å; L368-Q370 VanDerWaalsContact C-N 3.28Å; L368-Q370 PolarHBondContact O-N 2.87Å; L368-V371 PolarHBondContact O-N 3.27Å; L368-F372 WeakPolarHBondContact O-CB 3.42Å; L368-F372 PolarHBondContact O-N 2.87Å; L368-F396 HydrophobicContact CD2-CE2 4.02Å; L368-F396 HydrophobicContact CD2-CZ 3.93Å; L368-F396 HydrophobicContact CG-CE2 4.27Å; L368-A399 HydrophobicContact CD1-CB 3.9Å; L368-A400 HydrophobicContact CD1-CB 4.04Å
369Y93.3Very high91.7Very high1 Ų138.2 Ų38.20%0.00420%0.202CC..Hα-helixtrans-67.2-30.2-179.7-76.3-75.6000112.6F360 L363 R365 F372 I373 F396 F480 L484F360-Y369 WeakPolarHBondContact CA-OH 3.25Å; F360-Y369 PolarHBondContact O-OH 3.14Å; L363-Y369 HydrophobicContact CB-CD2 4.2Å; L363-Y369 HydrophobicContact CB-CE2 4.49Å; L363-Y369 HydrophobicContact CD2-CD1 3.74Å; L363-Y369 HydrophobicContact CD2-CD2 3.54Å; L363-Y369 HydrophobicContact CD2-CE1 3.68Å; L363-Y369 HydrophobicContact CD2-CE2 3.47Å; L363-Y369 VanDerWaalsContact CD2-CE2 3.47Å; L363-Y369 HydrophobicContact CD2-CG 3.67Å; L363-Y369 HydrophobicContact CG-CD2 4.44Å; R365-Y369 WeakPolarHBondContact O-CD2 3.4Å; R365-Y369 PolarHBondContact O-N 3.22Å; Y369-F372 HydrophobicContact CD1-CD1 4.17Å; Y369-I373 VanDerWaalsContact O-CB 3.32Å; Y369-I373 WeakPolarHBondContact O-CB 3.31Å; Y369-I373 WeakPolarHBondContact O-CD1 3.23Å; Y369-I373 WeakPolarHBondContact O-CG1 3.4Å; Y369-I373 PolarHBondContact O-N 3.08Å; Y369-F396 HydrophobicContact CE1-CE2 4.18Å; Y369-F480 AromaticContact CE1-CE2 3.66Å; Y369-F480 HydrophobicContact CE1-CE2 3.66Å; Y369-F480 HydrophobicContact CE1-CZ 4.17Å; Y369-F480 AromaticContact CZ-CE2 3.86Å; Y369-L484 HydrophobicContact CD1-CD1 3.96Å
370Q92.6Very high91.4Very high41 Ų4136.7 Ų36.719%0.19219%0.194CC..Hα-helixtrans-60.4-51.8172.3-174.564.938.200111G366 E367 L368 I373 D374 S491G366-Q370 WeakPolarHBondContact O-CB 3.28Å; G366-Q370 PolarHBondContact O-N 3.31Å; E367-Q370 WeakPolarHBondContact O-CB 3.32Å; E367-Q370 PolarHBondContact O-N 3Å; L368-Q370 VanDerWaalsContact C-N 3.28Å; L368-Q370 PolarHBondContact O-N 2.87Å; Q370-I373 PolarHBondContact O-N 3.31Å; Q370-D374 PolarHBondContact O-N 3.27Å; Q370-S491 PolarHBondContact NE2-OG 2.96Å
371V93.7Very high91Very high39 Ų3941.9 Ų41.924%0.23622%0.216CC..Hα-helixtrans-65.2-41.1178.9178.40000111.3E367 L368 D374 L375 A399 K402 V403E367-V371 PolarHBondContact O-N 3.47Å; E367-V371 VanDerWaalsContact O-N 3.13Å; L368-V371 PolarHBondContact O-N 3.27Å; V371-D374 PolarHBondContact O-N 2.89Å; V371-L375 HydrophobicContact CG1-CD1 4Å; V371-L375 WeakPolarHBondContact O-CG 3.36Å; V371-L375 PolarHBondContact O-N 3.02Å; V371-L375 VanDerWaalsContact O-N 3.1Å; V371-A399 HydrophobicContact CB-CB 4.22Å; V371-A399 HydrophobicContact CG1-CB 3.92Å; V371-K402 HydrophobicContact CG1-CB 4.23Å; V371-K402 HydrophobicContact CG1-CD 3.8Å; V371-V403 HydrophobicContact CB-CG2 4.43Å; V371-V403 HydrophobicContact CG2-CG2 3.93Å
372F94.6Very high90.5Very high0 Ų044.1 Ų44.10%024%0.235CC..Hα-helixtrans-61.5-46.8177168.5-107.3000112.1L368 Y369 D374 L375 A376 V392 F396 A399 L416 W451 L454L368-F372 WeakPolarHBondContact O-CB 3.42Å; L368-F372 PolarHBondContact O-N 2.87Å; Y369-F372 HydrophobicContact CD1-CD1 4.17Å; F372-D374 VanDerWaalsContact C-N 3.27Å; F372-D374 PolarHBondContact O-N 3.45Å; F372-L375 PolarHBondContact O-N 3.46Å; F372-A376 HydrophobicContact CD2-CB 4.25Å; F372-A376 HydrophobicContact CE1-CB 4.44Å; F372-A376 HydrophobicContact CE2-CB 3.83Å; F372-A376 HydrophobicContact CZ-CB 3.93Å; F372-A376 VanDerWaalsContact O-CB 3.31Å; F372-A376 WeakPolarHBondContact O-CB 3.5Å; F372-A376 PolarHBondContact O-N 3.49Å; F372-V392 HydrophobicContact CE2-CG1 3.97Å; F372-V392 HydrophobicContact CZ-CG1 3.87Å; F372-F396 HydrophobicContact CB-CD2 4.4Å; F372-F396 HydrophobicContact CD2-CB 3.93Å; F372-F396 AromaticContact CD2-CD2 3.77Å; F372-F396 HydrophobicContact CD2-CD2 3.77Å; F372-F396 HydrophobicContact CD2-CG 4.37Å; F372-F396 HydrophobicContact CE2-CB 3.95Å; F372-F396 HydrophobicContact CE2-CD2 4.15Å; F372-F396 AromaticContact CG-CD2 3.99Å; F372-F396 HydrophobicContact CG-CD2 3.99Å; F372-A399 HydrophobicContact CB-CB 3.9Å; F372-L416 HydrophobicContact CE1-CD1 4.47Å; F372-L416 HydrophobicContact CE2-CD1 3.74Å; F372-L416 HydrophobicContact CZ-CD1 3.63Å; F372-W451 HydrophobicContact CE1-CZ3 4.29Å; F372-L454 HydrophobicContact CE1-CD2 4.09Å; F372-L454 HydrophobicContact CZ-CD2 4.13Å
373I93.4Very high90Very high3 Ų348.1 Ų48.12%0.01526%0.262CS..Hα-helixtrans-57.6-44.5178-72.4162.8000109.9Y369 Q370 L375 A376 Q377 W451 L484 R487 R488Y369-I373 VanDerWaalsContact O-CB 3.32Å; Y369-I373 WeakPolarHBondContact O-CB 3.31Å; Y369-I373 WeakPolarHBondContact O-CD1 3.23Å; Y369-I373 WeakPolarHBondContact O-CG1 3.4Å; Y369-I373 PolarHBondContact O-N 3.08Å; Q370-I373 PolarHBondContact O-N 3.31Å; I373-L375 VanDerWaalsContact C-N 3.33Å; I373-L375 PolarHBondContact O-N 3.35Å; I373-A376 PolarHBondContact O-N 2.82Å; I373-Q377 VanDerWaalsContact O-CB 3.24Å; I373-Q377 WeakPolarHBondContact O-CB 3.33Å; I373-Q377 PolarHBondContact O-N 2.91Å; I373-W451 HydrophobicContact CG1-CH2 4.3Å; I373-L484 HydrophobicContact CD1-CD1 3.96Å; I373-L484 HydrophobicContact CG1-CD1 4.11Å; I373-R487 HydrophobicContact CD1-CB 4.4Å; I373-R487 HydrophobicContact CD1-CG 3.95Å; I373-R488 HydrophobicContact CD1-CB 4.4Å; I373-R488 HydrophobicContact CG2-CG 4.21Å
374D91.1Very high89.6Confident100 Ų10048.8 Ų48.854%0.53527%0.266SS..Hα-helixtrans-63.9-37.2-179.2-68.1-21000112.4Q370 V371 F372Q370-D374 PolarHBondContact O-N 3.27Å; V371-D374 PolarHBondContact O-N 2.89Å; F372-D374 VanDerWaalsContact C-N 3.27Å; F372-D374 PolarHBondContact O-N 3.45Å
375L92.4Very high89.4Confident51 Ų5150.2 Ų50.227%0.26727%0.267SS..Hα-helixtrans-75.2-43.5177-65.5170.5000112.7V371 F372 I373 A395 Q398 A399 K402V371-L375 HydrophobicContact CG1-CD1 4Å; V371-L375 WeakPolarHBondContact O-CG 3.36Å; V371-L375 PolarHBondContact O-N 3.02Å; V371-L375 VanDerWaalsContact O-N 3.1Å; F372-L375 PolarHBondContact O-N 3.46Å; I373-L375 VanDerWaalsContact C-N 3.33Å; I373-L375 PolarHBondContact O-N 3.35Å; L375-A395 HydrophobicContact CB-CB 4.42Å; L375-Q398 HydrophobicContact CD1-CB 4.36Å; L375-A399 HydrophobicContact CD1-CB 4.18Å; L375-K402 HydrophobicContact CD1-CD 4.48Å
376A91.8Very high89.1Confident0 Ų049.4 Ų49.40%028%0.277CS..Hα-helixtrans-82.6-13.9-173.500000113.6F372 I373 Q378 M379 L380 W451F372-A376 HydrophobicContact CD2-CB 4.25Å; F372-A376 HydrophobicContact CE1-CB 4.44Å; F372-A376 HydrophobicContact CE2-CB 3.83Å; F372-A376 HydrophobicContact CZ-CB 3.93Å; F372-A376 VanDerWaalsContact O-CB 3.31Å; F372-A376 WeakPolarHBondContact O-CB 3.5Å; F372-A376 PolarHBondContact O-N 3.49Å; I373-A376 PolarHBondContact O-N 2.82Å; A376-Q378 VanDerWaalsContact C-N 3.32Å; A376-Q378 PolarHBondContact O-N 2.65Å; A376-M379 PolarHBondContact O-N 2.92Å; A376-L380 HydrophobicContact CB-CD1 3.8Å; A376-L380 HydrophobicContact CB-CG 4.35Å; A376-L380 PolarHBondContact O-N 3.21Å; A376-W451 HydrophobicContact CB-CH2 4.05Å; A376-W451 HydrophobicContact CB-CZ2 4.42Å
377Q87.9Confident89Confident30 Ų3052.5 Ų52.514%0.1429%0.292CS..THydrogen-bonded Turntrans-53.6-39.1-175.4-176.266.44.600114.9I373 K381 W451I373-Q377 VanDerWaalsContact O-CB 3.24Å; I373-Q377 WeakPolarHBondContact O-CB 3.33Å; I373-Q377 PolarHBondContact O-N 2.91Å; Q377-K381 WeakPolarHBondContact O-CD 3.47Å; Q377-K381 WeakPolarHBondContact O-CG 3.48Å; Q377-W451 HydrophobicContact CB-CZ2 4.49Å
378Q85.5Confident88.9Confident146 Ų14647.2 Ų47.268%0.68227%0.268SS*.THydrogen-bonded Turntrans-77.4-30.1179.9-61.3-61.8-12.200112.2A376A376-Q378 VanDerWaalsContact C-N 3.32Å; A376-Q378 PolarHBondContact O-N 2.65Å
379M87.8Confident88.7Confident73 Ų7349 Ų4936%0.3628%0.276SS..THydrogen-bonded Turntrans-81.3-39.2-175.2-48.7-166.367.400112A376 D391A376-M379 PolarHBondContact O-N 2.92Å; M379-D391 HydrophobicContact CE-CB 3.25Å; M379-D391 WeakPolarHBondContact CE-OD2 3.35Å; M379-D391 HydrophobicContact SD-CB 4.25Å
380L87.6Confident88.6Confident0 Ų055 Ų550%030%0.304CS..THydrogen-bonded Turntrans-90.2-3.2-176.3-70.1176.3000114.2A376 T388 V392 G450 W451 L454A376-L380 HydrophobicContact CB-CD1 3.8Å; A376-L380 HydrophobicContact CB-CG 4.35Å; A376-L380 PolarHBondContact O-N 3.21Å; L380-T388 HydrophobicContact CD2-CG2 3.96Å; L380-V392 HydrophobicContact CD1-CG2 4.22Å; L380-V392 HydrophobicContact CD2-CG2 3.59Å; L380-V392 HydrophobicContact CG-CG2 3.92Å; L380-G450 WeakPolarHBondContact O-CA 3.48Å; L380-G450 PolarHBondContact O-N 3.08Å; L380-G450 VanDerWaalsContact O-N 3.08Å; L380-W451 HydrophobicContact CB-CD2 3.7Å; L380-W451 VanDerWaalsContact CB-CE2 3.49Å; L380-W451 HydrophobicContact CB-CE3 4.32Å; L380-W451 HydrophobicContact CB-CG 3.91Å; L380-W451 HydrophobicContact CB-CZ2 4Å; L380-W451 HydrophobicContact CD1-CD2 3.89Å; L380-W451 HydrophobicContact CD1-CE3 3.63Å; L380-W451 HydrophobicContact CD1-CH2 3.68Å; L380-W451 HydrophobicContact CD1-CZ2 3.96Å; L380-W451 HydrophobicContact CD1-CZ3 3.5Å; L380-W451 VanDerWaalsContact CD1-CZ3 3.5Å; L380-W451 HydrophobicContact CG-CD2 4.46Å; L380-W451 PolarHBondContact O-N 2.83Å; L380-L454 HydrophobicContact CD1-CD2 4.15Å
381K83.8Confident88.5Confident109 Ų10955.9 Ų55.947%0.47431%0.31SS..THydrogen-bonded Turntrans-70.9-33.6171.9-94.3177.7-174.7-178.70112.7Q377Q377-K381 WeakPolarHBondContact O-CD 3.47Å; Q377-K381 WeakPolarHBondContact O-CG 3.48Å
382A83.7Confident88.4Confident50 Ų5054.1 Ų54.141%0.41330%0.299SS..SBendtrans-80.1160.9176.600000110.7G450A382-G450 PolarHBondContact O-N 3.43Å
383P83.5Confident88.3Confident91 Ų9154.9 Ų54.959%0.59130%0.303SS*.PPolyproline II helixtrans-56140.7168.1-2434.6000110.9
384P85.3Confident88.3Confident20 Ų2057 Ų5713%0.1332%0.316CS..PPolyproline II helixtrans-67144.9-17629.1-35.3000111.7T388 V418 D419 P447 A453P384-T388 HydrophobicContact CB-CG2 4.47Å; P384-V418 HydrophobicContact CB-CG1 3.49Å; P384-V418 VanDerWaalsContact CB-CG1 3.49Å; P384-V418 HydrophobicContact CG-CG1 4.36Å; P384-D419 WeakPolarHBondContact CG-O 3.41Å; P384-P447 HydrophobicContact CG-CG 4.39Å; P384-A453 HydrophobicContact CB-CB 4.3Å; P384-A453 HydrophobicContact CG-CB 3.86Å
385T85.7Confident88.3Confident72 Ų7252.5 Ų52.544%0.44229%0.293SS..  trans-122.3169.5175.266.30000109.8V387 T388T385-V387 PolarHBondContact O-N 3.16Å; T385-V387 VanDerWaalsContact O-N 3.08Å; T385-V387 WeakPolarHBondContact OG1-CG2 3.5Å; T385-T388 PolarHBondContact N-OG1 3.06Å; T385-T388 VanDerWaalsContact O-CB 3.26Å; T385-T388 WeakPolarHBondContact O-CB 3.37Å; T385-T388 PolarHBondContact O-N 2.88Å; T385-T388 PolarHBondContact O-OG1 2.95Å; T385-T388 PolarHBondContact OG1-OG1 3.5Å
386A83.2Confident88.3Confident63 Ų6350.3 Ų50.352%0.52128%0.281SS..THydrogen-bonded Turntrans-58.8-24.1-17900000114.6Y420A386-Y420 HydrophobicContact CB-CD2 4.35Å; A386-Y420 HydrophobicContact CB-CE2 3.66Å
387V87.9Confident88.3Confident88 Ų8854.7 Ų54.753%0.53330%0.302SS..THydrogen-bonded Turntrans-88.7-17.2177.5-63.70000113.2T385 E389 H390 D391T385-V387 PolarHBondContact O-N 3.16Å; T385-V387 VanDerWaalsContact O-N 3.08Å; T385-V387 WeakPolarHBondContact OG1-CG2 3.5Å; V387-E389 VanDerWaalsContact C-N 3.26Å; V387-E389 PolarHBondContact O-N 2.77Å; V387-H390 PolarHBondContact O-N 2.96Å; V387-H390 VanDerWaalsContact O-N 3.15Å; V387-D391 PolarHBondContact O-N 3.31Å; V387-D391 VanDerWaalsContact O-N 3.09Å
388T88.3Confident88.5Confident11 Ų1157.8 Ų57.87%0.06732%0.316CS..Hα-helixtrans-60.5-36.7-175.1-57.70000111.8L380 P384 T385 V392 V418L380-T388 HydrophobicContact CD2-CG2 3.96Å; P384-T388 HydrophobicContact CB-CG2 4.47Å; T385-T388 PolarHBondContact N-OG1 3.06Å; T385-T388 VanDerWaalsContact O-CB 3.26Å; T385-T388 WeakPolarHBondContact O-CB 3.37Å; T385-T388 PolarHBondContact O-N 2.88Å; T385-T388 PolarHBondContact O-OG1 2.95Å; T385-T388 PolarHBondContact OG1-OG1 3.5Å; T388-V392 HydrophobicContact CG2-CG2 4.04Å; T388-V392 VanDerWaalsContact O-CB 3.28Å; T388-V392 WeakPolarHBondContact O-CB 3.18Å; T388-V392 WeakPolarHBondContact O-CG2 3.48Å; T388-V392 PolarHBondContact O-N 3.11Å; T388-V418 HydrophobicContact CG2-CG1 4.38Å
389E89.9Confident88.8Confident40 Ų4050.9 Ų50.919%0.18728%0.284CS..Hα-helixtrans-60.2-48.6176.7-169.2173118.100111.7V387 N393 H415 V418 K423V387-E389 VanDerWaalsContact C-N 3.26Å; V387-E389 PolarHBondContact O-N 2.77Å; E389-N393 PolarHBondContact O-N 2.85Å; E389-N393 PolarHBondContact O-ND2 3.47Å; E389-H415 IonicContact OE1-CE1 3.2Å; E389-H415 PolarHBondContact OE1-CE1 2.88Å; E389-H415 IonicContact OE1-NE2 3.65Å; E389-V418 HydrophobicContact CB-CB 4.16Å; E389-V418 HydrophobicContact CB-CG2 4.25Å; E389-V418 HydrophobicContact CG-CB 4.47Å; E389-V418 HydrophobicContact CG-CG2 4.46Å; E389-V418 PolarHBondContact OE2-N 2.98Å; E389-K423 IonicContact OE2-NZ 2.79Å
390H90.3Very high88.9Confident128 Ų12847.4 Ų47.459%0.59327%0.267SS*.Hα-helixtrans-62.8-48.9178.9-179.869.1000111.7V387 V392 N393 V394V387-H390 PolarHBondContact O-N 2.96Å; V387-H390 VanDerWaalsContact O-N 3.15Å; H390-V392 VanDerWaalsContact C-N 3.3Å; H390-V392 PolarHBondContact O-N 3.09Å; H390-N393 PolarHBondContact O-N 3.48Å; H390-V394 WeakPolarHBondContact O-CG2 3.21Å; H390-V394 PolarHBondContact O-N 2.67Å
391D91.5Very high89Confident60 Ų6052.8 Ų52.832%0.32129%0.292SS..Hα-helixtrans-63.1-37.9-176.8-67-20.5000112.6M379 V387 V394 A395M379-D391 HydrophobicContact CE-CB 3.25Å; M379-D391 WeakPolarHBondContact CE-OD2 3.35Å; M379-D391 HydrophobicContact SD-CB 4.25Å; V387-D391 PolarHBondContact O-N 3.31Å; V387-D391 VanDerWaalsContact O-N 3.09Å; D391-V394 PolarHBondContact O-N 2.96Å; D391-A395 WeakPolarHBondContact O-CB 3.23Å; D391-A395 PolarHBondContact O-N 3.07Å
392V92.1Very high89.3Confident1 Ų153.8 Ų53.81%0.00630%0.296CS..Hα-helixtrans-66.5-40177.7169.10000111.1F372 L380 T388 H390 A395 F396 L416 L454F372-V392 HydrophobicContact CE2-CG1 3.97Å; F372-V392 HydrophobicContact CZ-CG1 3.87Å; L380-V392 HydrophobicContact CD1-CG2 4.22Å; L380-V392 HydrophobicContact CD2-CG2 3.59Å; L380-V392 HydrophobicContact CG-CG2 3.92Å; T388-V392 HydrophobicContact CG2-CG2 4.04Å; T388-V392 VanDerWaalsContact O-CB 3.28Å; T388-V392 WeakPolarHBondContact O-CB 3.18Å; T388-V392 WeakPolarHBondContact O-CG2 3.48Å; T388-V392 PolarHBondContact O-N 3.11Å; H390-V392 VanDerWaalsContact C-N 3.3Å; H390-V392 PolarHBondContact O-N 3.09Å; V392-A395 PolarHBondContact O-N 3.35Å; V392-F396 WeakPolarHBondContact O-CB 3.25Å; V392-F396 PolarHBondContact O-N 2.99Å; V392-L416 HydrophobicContact CG1-CB 4.13Å; V392-L416 HydrophobicContact CG1-CD1 3.63Å; V392-L454 HydrophobicContact CG1-CD1 3.79Å
393N91.9Very high89.7Confident16 Ų1652.9 Ų52.99%0.08629%0.285CS..Hα-helixtrans-64.7-39.9174.2-80.6-77.1000111.9E389 H390 F396 Q397 H415 L416E389-N393 PolarHBondContact O-N 2.85Å; E389-N393 PolarHBondContact O-ND2 3.47Å; H390-N393 PolarHBondContact O-N 3.48Å; N393-F396 WeakPolarHBondContact O-CB 3.35Å; N393-F396 PolarHBondContact O-N 2.92Å; N393-Q397 WeakPolarHBondContact O-CG 3.23Å; N393-Q397 PolarHBondContact O-N 3.48Å; N393-H415 PolarHBondContact ND2-NE2 2.81Å; N393-L416 PolarHBondContact ND2-O 3.08Å; N393-L416 PolarHBondContact OD1-N 3.14Å
394V92.1Very high89.8Confident48 Ų4855 Ų5529%0.29129%0.291SS..Hα-helixtrans-62.8-43.9173.7174.10000111H390 D391 F396 Q397 Q398H390-V394 WeakPolarHBondContact O-CG2 3.21Å; H390-V394 PolarHBondContact O-N 2.67Å; D391-V394 PolarHBondContact O-N 2.96Å; V394-F396 VanDerWaalsContact C-N 3.28Å; V394-F396 PolarHBondContact O-N 3.14Å; V394-Q397 PolarHBondContact O-N 2.88Å; V394-Q398 VanDerWaalsContact O-CG 3.32Å; V394-Q398 WeakPolarHBondContact O-CG 3.23Å; V394-Q398 PolarHBondContact O-N 2.93Å
395A92.6Very high89.7Confident6 Ų655.1 Ų55.15%0.0529%0.29CS..Hα-helixtrans-61.8-36.7175.800000112.2L375 D391 V392 Q398 A399L375-A395 HydrophobicContact CB-CB 4.42Å; D391-A395 WeakPolarHBondContact O-CB 3.23Å; D391-A395 PolarHBondContact O-N 3.07Å; V392-A395 PolarHBondContact O-N 3.35Å; A395-Q398 PolarHBondContact O-N 3.44Å; A395-A399 WeakPolarHBondContact O-CB 3.26Å; A395-A399 PolarHBondContact O-N 3.03Å
396F92.7Very high88.9Confident5 Ų559.3 Ų59.32%0.02231%0.31CS..Hα-helixtrans-67.4-44.4176-172.9-107.1000112.5F360 L368 Y369 F372 V392 N393 V394 Q398 A399 A400 L411 L416F360-F396 AromaticContact CD1-CZ 3.83Å; F360-F396 HydrophobicContact CD1-CZ 3.83Å; F360-F396 HydrophobicContact CE1-CE1 4.31Å; F360-F396 AromaticContact CE1-CZ 3.77Å; F360-F396 HydrophobicContact CE1-CZ 3.77Å; L368-F396 HydrophobicContact CD2-CE2 4.02Å; L368-F396 HydrophobicContact CD2-CZ 3.93Å; L368-F396 HydrophobicContact CG-CE2 4.27Å; Y369-F396 HydrophobicContact CE1-CE2 4.18Å; F372-F396 HydrophobicContact CB-CD2 4.4Å; F372-F396 HydrophobicContact CD2-CB 3.93Å; F372-F396 AromaticContact CD2-CD2 3.77Å; F372-F396 HydrophobicContact CD2-CD2 3.77Å; F372-F396 HydrophobicContact CD2-CG 4.37Å; F372-F396 HydrophobicContact CE2-CB 3.95Å; F372-F396 HydrophobicContact CE2-CD2 4.15Å; F372-F396 AromaticContact CG-CD2 3.99Å; F372-F396 HydrophobicContact CG-CD2 3.99Å; V392-F396 WeakPolarHBondContact O-CB 3.25Å; V392-F396 PolarHBondContact O-N 2.99Å; N393-F396 WeakPolarHBondContact O-CB 3.35Å; N393-F396 PolarHBondContact O-N 2.92Å; V394-F396 VanDerWaalsContact C-N 3.28Å; V394-F396 PolarHBondContact O-N 3.14Å; F396-Q398 VanDerWaalsContact C-N 3.34Å; F396-Q398 PolarHBondContact O-N 3.47Å; F396-A399 WeakPolarHBondContact O-CB 3.24Å; F396-A399 PolarHBondContact O-N 2.93Å; F396-A400 PolarHBondContact O-N 3.19Å; F396-L411 HydrophobicContact CE1-CD2 4.32Å; F396-L416 HydrophobicContact CB-CD1 3.66Å; F396-L416 HydrophobicContact CD1-CD1 4.42Å; F396-L416 HydrophobicContact CD2-CD1 3.85Å; F396-L416 HydrophobicContact CG-CD1 3.73Å; F396-L416 HydrophobicContact CG-CG 4.46Å
397Q91Very high88.4Confident92 Ų9259.3 Ų59.343%0.4330%0.301SS..Hα-helixtrans-61.2-41.8173.3-70.8173.4-8.100111.8N393 V394 A399 A400 H401N393-Q397 WeakPolarHBondContact O-CG 3.23Å; N393-Q397 PolarHBondContact O-N 3.48Å; V394-Q397 PolarHBondContact O-N 2.88Å; Q397-A399 VanDerWaalsContact C-N 3.32Å; Q397-A399 PolarHBondContact O-N 3.38Å; Q397-A400 PolarHBondContact O-N 3.25Å; Q397-H401 PolarHBondContact O-N 2.64Å
398Q91.3Very high87.4Confident95 Ų9560.5 Ų60.544%0.44431%0.305SS..Hα-helixtrans-62.9-38.3174.5-72.4177.98.200112.5L375 V394 A395 F396 K402L375-Q398 HydrophobicContact CD1-CB 4.36Å; V394-Q398 VanDerWaalsContact O-CG 3.32Å; V394-Q398 WeakPolarHBondContact O-CG 3.23Å; V394-Q398 PolarHBondContact O-N 2.93Å; A395-Q398 PolarHBondContact O-N 3.44Å; F396-Q398 VanDerWaalsContact C-N 3.34Å; F396-Q398 PolarHBondContact O-N 3.47Å; Q398-K402 WeakPolarHBondContact O-CB 3.3Å; Q398-K402 WeakPolarHBondContact O-CG 3.38Å; Q398-K402 PolarHBondContact O-N 3.25Å
399A92.1Very high86.9Confident0 Ų066.4 Ų66.40%034%0.336CS..Hα-helixtrans-63.9-43.5174.600000111.1L368 V371 F372 L375 A395 F396 Q397 K402 V403L368-A399 HydrophobicContact CD1-CB 3.9Å; V371-A399 HydrophobicContact CB-CB 4.22Å; V371-A399 HydrophobicContact CG1-CB 3.92Å; F372-A399 HydrophobicContact CB-CB 3.9Å; L375-A399 HydrophobicContact CD1-CB 4.18Å; A395-A399 WeakPolarHBondContact O-CB 3.26Å; A395-A399 PolarHBondContact O-N 3.03Å; F396-A399 WeakPolarHBondContact O-CB 3.24Å; F396-A399 PolarHBondContact O-N 2.93Å; Q397-A399 VanDerWaalsContact C-N 3.32Å; Q397-A399 PolarHBondContact O-N 3.38Å; A399-K402 PolarHBondContact O-N 2.91Å; A399-V403 WeakPolarHBondContact O-CG2 3.5Å; A399-V403 PolarHBondContact O-N 2.79Å; A399-V403 VanDerWaalsContact O-N 3.16Å
400A90.7Very high86.5Confident0 Ų065 Ų650%033%0.33CS..Hα-helixtrans-60.4-45.7176.400000112.4L368 F396 Q397 K402 V403 L404 L405 L411L368-A400 HydrophobicContact CD1-CB 4.04Å; F396-A400 PolarHBondContact O-N 3.19Å; Q397-A400 PolarHBondContact O-N 3.25Å; A400-K402 VanDerWaalsContact C-N 3.34Å; A400-K402 PolarHBondContact O-N 2.9Å; A400-V403 PolarHBondContact O-N 2.88Å; A400-L404 PolarHBondContact O-N 3.32Å; A400-L405 HydrophobicContact CB-CB 4.28Å; A400-L405 HydrophobicContact CB-CD2 4.17Å; A400-L405 PolarHBondContact O-N 2.99Å; A400-L405 VanDerWaalsContact O-N 3.14Å; A400-L411 HydrophobicContact CB-CD1 3.95Å; A400-L411 HydrophobicContact CB-CD2 3.68Å; A400-L411 HydrophobicContact CB-CG 4.42Å
401H89.2Confident86Confident113 Ų11359.6 Ų59.652%0.52331%0.305SS..Hα-helixtrans-63.6-37.2175.9-65.2164.5000112.8Q397 V403 L404Q397-H401 PolarHBondContact O-N 2.64Å; H401-V403 VanDerWaalsContact C-N 3.27Å; H401-V403 PolarHBondContact O-N 3.24Å; H401-L404 PolarHBondContact O-N 3.17Å
402K90.8Very high85.6Confident130 Ų13061.6 Ų61.657%0.56532%0.321SS*.Hα-helixtrans-65.7-30.4177.8-81.1177.9-180178.60113.5V371 L375 Q398 A399 A400 L404V371-K402 HydrophobicContact CG1-CB 4.23Å; V371-K402 HydrophobicContact CG1-CD 3.8Å; L375-K402 HydrophobicContact CD1-CD 4.48Å; Q398-K402 WeakPolarHBondContact O-CB 3.3Å; Q398-K402 WeakPolarHBondContact O-CG 3.38Å; Q398-K402 PolarHBondContact O-N 3.25Å; A399-K402 PolarHBondContact O-N 2.91Å; A400-K402 VanDerWaalsContact C-N 3.34Å; A400-K402 PolarHBondContact O-N 2.9Å; K402-L404 VanDerWaalsContact C-N 3.28Å
403V90.9Very high85.3Confident32 Ų3263 Ų6319%0.19433%0.328CS..THydrogen-bonded Turntrans-89.31.8179.1179.20000111.4E367 V371 A399 A400 H401 L405E367-V403 HydrophobicContact CB-CG1 4.4Å; E367-V403 VanDerWaalsContact CD-CG1 3.46Å; E367-V403 HydrophobicContact CG-CG1 3.72Å; E367-V403 WeakPolarHBondContact OE1-CG1 3.34Å; V371-V403 HydrophobicContact CB-CG2 4.43Å; V371-V403 HydrophobicContact CG2-CG2 3.93Å; A399-V403 WeakPolarHBondContact O-CG2 3.5Å; A399-V403 PolarHBondContact O-N 2.79Å; A399-V403 VanDerWaalsContact O-N 3.16Å; A400-V403 PolarHBondContact O-N 2.88Å; H401-V403 VanDerWaalsContact C-N 3.27Å; H401-V403 PolarHBondContact O-N 3.24Å; V403-L405 VanDerWaalsContact C-N 3.35Å
404L86.3Confident85.1Confident136 Ų13662.7 Ų62.771%0.71233%0.327SS*.THydrogen-bonded Turntrans56.848.2-178.2-53.1173.5000111.3A400 H401 K402 D406A400-L404 PolarHBondContact O-N 3.32Å; H401-L404 PolarHBondContact O-N 3.17Å; K402-L404 VanDerWaalsContact C-N 3.28Å; L404-D406 PolarHBondContact O-N 3.29Å; L404-D406 VanDerWaalsContact O-N 3.1Å
405L83.9Confident85Confident21 Ų2164 Ų6411%0.1133%0.329CS..  trans-68.3107.5173.4-167.775.7000109F360 A400 V403 D407 L411F360-L405 HydrophobicContact CZ-CD2 4.37Å; A400-L405 HydrophobicContact CB-CB 4.28Å; A400-L405 HydrophobicContact CB-CD2 4.17Å; A400-L405 PolarHBondContact O-N 2.99Å; A400-L405 VanDerWaalsContact O-N 3.14Å; V403-L405 VanDerWaalsContact C-N 3.35Å; L405-D407 PolarHBondContact O-N 2.9Å; L405-D407 VanDerWaalsContact O-N 3.17Å; L405-L411 HydrophobicContact CD2-CD2 4.16Å; L405-L411 HydrophobicContact CD2-CG 4.38Å
406D67.3Low84.8Confident160 Ų16063.7 Ų63.786%0.85633%0.327SS*.  trans-72.1-2.8-170.1-64.7-42.6000115.5L404L404-D406 PolarHBondContact O-N 3.29Å; L404-D406 VanDerWaalsContact O-N 3.1Å
407D73.2Confident84.7Confident63 Ų6365.1 Ų65.134%0.33734%0.337SS..  trans-108.882.6-173.8-163.8-8.7000112.4L405 N409 L410L405-D407 PolarHBondContact O-N 2.9Å; L405-D407 VanDerWaalsContact O-N 3.17Å; D407-N409 PolarHBondContact O-N 3.35Å; D407-N409 VanDerWaalsContact O-N 3.17Å; D407-N409 PolarHBondContact OD1-N 2.79Å; D407-L410 HydrophobicContact CB-CB 4.05Å; D407-L410 WeakPolarHBondContact O-CB 3.42Å; D407-L410 PolarHBondContact O-N 3.49Å; D407-L410 VanDerWaalsContact O-N 3.16Å
408D67.8Low84.4Confident113 Ų11360.8 Ų60.860%0.60432%0.316SS*.THydrogen-bonded Turntrans-60.4-21.6178.2-74-26.7000113.1P412D408-P412 WeakPolarHBondContact O-CD 3.46Å
409N77.8Confident83.8Confident135 Ų13560.1 Ų60.172%0.72232%0.316SS*.THydrogen-bonded Turntrans-82.2-16.9-179.4-64.9-42.9000113.1D407D407-N409 PolarHBondContact O-N 3.35Å; D407-N409 VanDerWaalsContact O-N 3.17Å; D407-N409 PolarHBondContact OD1-N 2.79Å
410L81.5Confident82.9Confident12 Ų1263 Ų636%0.06333%0.327CS..THydrogen-bonded Turntrans-83.9-38-175.6-175.3153.2000112.2I356 F360 D407 L413 L414I356-L410 HydrophobicContact CD1-CD1 3.57Å; I356-L410 HydrophobicContact CD1-CG 4.36Å; I356-L410 HydrophobicContact CG1-CD1 3.73Å; I356-L410 HydrophobicContact CG2-CD1 4.04Å; I356-L410 HydrophobicContact CG2-CG 4.39Å; F360-L410 HydrophobicContact CD2-CD2 4.39Å; F360-L410 HydrophobicContact CE1-CD2 4.35Å; F360-L410 HydrophobicContact CE2-CD1 4.19Å; F360-L410 HydrophobicContact CE2-CD2 3.38Å; F360-L410 HydrophobicContact CE2-CG 4.38Å; F360-L410 HydrophobicContact CZ-CD2 3.33Å; D407-L410 HydrophobicContact CB-CB 4.05Å; D407-L410 WeakPolarHBondContact O-CB 3.42Å; D407-L410 PolarHBondContact O-N 3.49Å; D407-L410 VanDerWaalsContact O-N 3.16Å; L410-L413 WeakPolarHBondContact O-CB 3.44Å; L410-L413 PolarHBondContact O-N 3.09Å; L410-L413 VanDerWaalsContact O-N 3.08Å; L410-L414 HydrophobicContact CD2-CD1 3.46Å; L410-L414 VanDerWaalsContact CD2-CD1 3.46Å; L410-L414 HydrophobicContact CD2-CG 4.47Å
411L79.6Confident81.1Confident14 Ų1469.9 Ų69.97%0.07336%0.359CS..G310 helixtrans-58.8-39.7-176.8-71.7169.6000114.2F396 A400 L405 L413 L414F396-L411 HydrophobicContact CE1-CD2 4.32Å; A400-L411 HydrophobicContact CB-CD1 3.95Å; A400-L411 HydrophobicContact CB-CD2 3.68Å; A400-L411 HydrophobicContact CB-CG 4.42Å; L405-L411 HydrophobicContact CD2-CD2 4.16Å; L405-L411 HydrophobicContact CD2-CG 4.38Å; L411-L413 PolarHBondContact O-N 3.47Å; L411-L414 PolarHBondContact O-N 3.28Å
412P83.3Confident79.2Confident102 Ų10266.5 Ų66.566%0.66236%0.355SS*.G310 helixtrans-66.4-18.4176.8-22.234.3000114.6D408 L414D408-P412 WeakPolarHBondContact O-CD 3.46Å; P412-L414 VanDerWaalsContact C-N 3.33Å
413L85.6Confident77.2Confident29 Ų2964 Ų6415%0.15234%0.344CS..G310 helixtrans-82.3-15.1178-61.4173.3000112.4L410 L411 Y458 K459L410-L413 WeakPolarHBondContact O-CB 3.44Å; L410-L413 PolarHBondContact O-N 3.09Å; L410-L413 VanDerWaalsContact O-N 3.08Å; L411-L413 PolarHBondContact O-N 3.47Å; L413-Y458 HydrophobicContact CB-CD2 4.38Å; L413-Y458 HydrophobicContact CB-CE2 4.08Å; L413-K459 PolarHBondContact O-N 3.02Å
414L87.4Confident74.9Confident11 Ų1168.3 Ų68.36%0.05837%0.366CS..EExtended strand (participates in β ladder)trans-110.8131-178.5-66.8166.4000109.8F360 L410 L411 P412 L456 Y458F360-L414 HydrophobicContact CB-CD1 4.37Å; F360-L414 HydrophobicContact CB-CD2 4.34Å; F360-L414 HydrophobicContact CD1-CD1 3.46Å; F360-L414 VanDerWaalsContact CD1-CD1 3.46Å; F360-L414 HydrophobicContact CD2-CD1 3.53Å; F360-L414 HydrophobicContact CE1-CD1 3.44Å; F360-L414 VanDerWaalsContact CE1-CD1 3.44Å; F360-L414 HydrophobicContact CE2-CD1 3.59Å; F360-L414 HydrophobicContact CG-CD1 3.5Å; F360-L414 VanDerWaalsContact CG-CD1 3.5Å; F360-L414 HydrophobicContact CG-CD2 4.3Å; F360-L414 HydrophobicContact CZ-CD1 3.52Å; L410-L414 HydrophobicContact CD2-CD1 3.46Å; L410-L414 VanDerWaalsContact CD2-CD1 3.46Å; L410-L414 HydrophobicContact CD2-CG 4.47Å; L411-L414 PolarHBondContact O-N 3.28Å; P412-L414 VanDerWaalsContact C-N 3.33Å; L414-L456 HydrophobicContact CB-CD1 4.44Å; L414-L456 HydrophobicContact CD2-CD1 4.16Å; L414-L456 HydrophobicContact CD2-CD2 4.46Å; L414-Y458 HydrophobicContact CD2-CD2 3.65Å; L414-Y458 HydrophobicContact CD2-CG 4.29Å; L414-Y458 HydrophobicContact CG-CD2 4.33Å
415H89.3Confident72.8Confident74 Ų7465 Ų6534%0.34336%0.358SS..EExtended strand (participates in β ladder)trans-137.1123.7180-179.7-90.7000109.7E389 N393 T417 A457E389-H415 IonicContact OE1-CE1 3.2Å; E389-H415 PolarHBondContact OE1-CE1 2.88Å; E389-H415 IonicContact OE1-NE2 3.65Å; N393-H415 PolarHBondContact ND2-NE2 2.81Å; H415-T417 PolarHBondContact O-N 2.79Å; H415-A457 PolarHBondContact N-O 3.22Å; H415-A457 PolarHBondContact O-N 3.48Å
416L90.3Very high70.7Confident1 Ų172.2 Ų72.21%0.00539%0.389CS..EExtended strand (participates in β ladder)trans-77.9123.4173.3-67.8173.9000109.1F372 V392 N393 F396 L454 G455 L456 F480F372-L416 HydrophobicContact CE1-CD1 4.47Å; F372-L416 HydrophobicContact CE2-CD1 3.74Å; F372-L416 HydrophobicContact CZ-CD1 3.63Å; V392-L416 HydrophobicContact CG1-CB 4.13Å; V392-L416 HydrophobicContact CG1-CD1 3.63Å; N393-L416 PolarHBondContact ND2-O 3.08Å; N393-L416 PolarHBondContact OD1-N 3.14Å; F396-L416 HydrophobicContact CB-CD1 3.66Å; F396-L416 HydrophobicContact CD1-CD1 4.42Å; F396-L416 HydrophobicContact CD2-CD1 3.85Å; F396-L416 HydrophobicContact CG-CD1 3.73Å; F396-L416 HydrophobicContact CG-CG 4.46Å; L416-L454 HydrophobicContact CB-CD1 4.01Å; L416-L454 HydrophobicContact CD1-CD1 4.44Å; L416-L454 HydrophobicContact CD2-CD1 4.31Å; L416-L454 HydrophobicContact CG-CD1 4.49Å; L416-G455 CarbonylContact C-O 3.59Å; L416-G455 WeakPolarHBondContact CA-O 3.42Å; L416-G455 WeakPolarHBondContact CD2-O 3.39Å; L416-L456 HydrophobicContact CD2-CB 4.32Å; L416-L456 HydrophobicContact CD2-CD1 3.79Å; L416-F480 HydrophobicContact CD2-CZ 4.36Å
417T88.9Confident69.3Low35 Ų3572.8 Ų72.822%0.21539%0.386CS..EExtended strand (participates in β ladder)trans-96.7146.3178.352.30000110H415 L454 G455 A457H415-T417 PolarHBondContact O-N 2.79Å; T417-L454 CarbonylContact O-C 3.57Å; T417-L454 WeakPolarHBondContact O-CA 3.46Å; T417-G455 PolarHBondContact N-O 3.12Å; T417-G455 PolarHBondContact O-N 3.4Å; T417-G455 WeakPolarHBondContact OG1-CA 3.33Å; T417-A457 HydrophobicContact CG2-CB 3.76Å
418V85.5Confident67.5Low0 Ų074 Ų740%041%0.405CS..EExtended strand (participates in β ladder)trans-131.8119.9175.1-177.30000109.2P384 T388 E389 Y420 A453 L454P384-V418 HydrophobicContact CB-CG1 3.49Å; P384-V418 VanDerWaalsContact CB-CG1 3.49Å; P384-V418 HydrophobicContact CG-CG1 4.36Å; T388-V418 HydrophobicContact CG2-CG1 4.38Å; E389-V418 HydrophobicContact CB-CB 4.16Å; E389-V418 HydrophobicContact CB-CG2 4.25Å; E389-V418 HydrophobicContact CG-CB 4.47Å; E389-V418 HydrophobicContact CG-CG2 4.46Å; E389-V418 PolarHBondContact OE2-N 2.98Å; V418-Y420 WeakPolarHBondContact O-CD1 3.44Å; V418-Y420 PolarHBondContact O-N 3.16Å; V418-A453 WeakPolarHBondContact CA-O 3.41Å; V418-A453 HydrophobicContact CG1-CB 3.77Å; V418-L454 HydrophobicContact CG2-CD1 4.06Å
419D77.9Confident65.9Low82 Ų8272.6 Ų72.644%0.43940%0.404SS..  trans-78.4120.9175-67.5-29.2000110.6P384 A453P384-D419 WeakPolarHBondContact CG-O 3.41Å; D419-A453 PolarHBondContact N-O 3.26Å; D419-A453 VanDerWaalsContact N-O 3.11Å; D419-A453 WeakPolarHBondContact O-CB 3.47Å
420Y73.8Confident63.8Low60 Ų6068.6 Ų68.624%0.23540%0.395CS..  trans-136.4154.3177.269.8-87.2000111.1A386 V418 G422A386-Y420 HydrophobicContact CB-CD2 4.35Å; A386-Y420 HydrophobicContact CB-CE2 3.66Å; V418-Y420 WeakPolarHBondContact O-CD1 3.44Å; V418-Y420 PolarHBondContact O-N 3.16Å; Y420-G422 PolarHBondContact O-N 3.48Å
421Q52.8Low61.6Low145 Ų14574.6 Ų74.668%0.67844%0.435SS*.THydrogen-bonded Turntrans-63123.5178.8-74.2-173-21.200111A446Q421-A446 HydrophobicContact CG-CB 3.92Å
422G48.6Very low59.6Low42 Ų4285.3 Ų85.343%0.43347%0.474SS..THydrogen-bonded Turntrans117.4-4.917600000116Y420 A425Y420-G422 PolarHBondContact O-N 3.48Å; G422-A425 PolarHBondContact O-N 3.24Å
423K49.5Very low57.3Low77 Ų7788.8 Ų88.834%0.33549%0.487SS..Hα-helixtrans-63.1-40.5176.4-155.4168.5-179.2168.30111.8E389 A425 K426E389-K423 IonicContact OE2-NZ 2.79Å; K423-A425 VanDerWaalsContact C-N 3.3Å; K423-A425 PolarHBondContact O-N 3.38Å; K423-K426 PolarHBondContact O-N 2.8Å
424D43.6Very low55.2Low122 Ų12291.2 Ų91.265%0.65252%0.519SS*.Hα-helixtrans-71.8-17.7178.6-56.3-37.2000114.1
425A40.6Very low52.5Low67 Ų6795.3 Ų95.355%0.55456%0.555SS**Hα-helixtrans-81.8-21.318000000113.4G422 K423 S429G422-A425 PolarHBondContact O-N 3.24Å; K423-A425 VanDerWaalsContact C-N 3.3Å; K423-A425 PolarHBondContact O-N 3.38Å; A425-S429 PolarHBondContact O-OG 3.38Å; A425-S429 VanDerWaalsContact O-OG 3.04Å
426K40.8Very low49.8Very low172 Ų17298 Ų9875%0.74858%0.577SS**Hα-helixtrans-90.5-26.6-179.6-86.4-173.5175.5179.90113.9K423 A428 S429K423-K426 PolarHBondContact O-N 2.8Å; K426-A428 VanDerWaalsContact C-N 3.32Å; K426-S429 PolarHBondContact O-OG 3.18Å
427E37.7Very low47.1Very low173 Ų173103.4 Ų103.481%0.80861%0.612SS**Hα-helixtrans-76.6-21.3174.4-71.2-174.8170.600112.6
428A35.2Very low44.5Very low88 Ų88107.8 Ų107.873%0.72764%0.641SS**SBendtrans-89-6.8175.600000115K426K426-A428 VanDerWaalsContact C-N 3.32Å
429S34Very low42.1Very low83 Ų83116.6 Ų116.658%0.5868%0.682SS**  trans-103.654.3-177.448.60000113.5A425 K426A425-S429 PolarHBondContact O-OG 3.38Å; A425-S429 VanDerWaalsContact O-OG 3.04Å; K426-S429 PolarHBondContact O-OG 3.18Å
430G34.2Very low39.9Very low52 Ų52120.6 Ų120.654%0.53670%0.703SS.*SBendtrans-72.614914900000109.7R432G430-R432 PolarHBondContact O-N 3.43Å
431P35.3Very low37.9Very low138 Ų138123 Ų12390%0.89673%0.729SS**  trans-71.999.4-175.629.9-31.4000109.3
432R37.2Very low36.9Very low239 Ų239121.1 Ų121.190%0.90273%0.732SS**  trans-120.4109.7162.5-79.2-173.4170.4175-1.6108.3G430G430-R432 PolarHBondContact O-N 3.43Å
433D35.2Very low36.2Very low174 Ų174124.8 Ų124.893%0.9375%0.748SS**  trans-54.9132.7171.5-83.2-45.6000111
434G42.3Very low35.8Very low81 Ų81130.6 Ų130.684%0.83577%0.768SS**  trans67.375.9152.600000117.3
435A30.4Very low35.9Very low97 Ų97133 Ų13380%0.80278%0.775SS**  trans-156.3139.5148.400000110.6
436T33Very low36.5Very low130 Ų130132.1 Ų132.180%0.79877%0.767SS**  trans-41.5142.1177.513.30000114.4
437P32.3Very low37.4Very low115 Ų115125.5 Ų125.575%0.74774%0.742SS**  trans-67.3132.2179.227.4-31.6000110.6Q439P437-Q439 PolarHBondContact O-N 2.95Å
438P33.9Very low38.8Very low126 Ų126122.4 Ų122.482%0.81874%0.737SS**  trans-74121.5168.618.9-10.3000108.5D440P438-D440 PolarHBondContact O-N 3.11Å
439Q35.4Very low40.9Very low185 Ų185120.4 Ų120.486%0.86472%0.716SS**  trans-99.466.5-178.9-168.1-177.94.900108.7P437P437-Q439 PolarHBondContact O-N 2.95Å
440D32.5Very low43.2Very low167 Ų167116.5 Ų116.589%0.89369%0.688SS**  trans-153.785.6168-86.3-40.1000110P438P438-D440 PolarHBondContact O-N 3.11Å
441S30.4Very low45.7Very low110 Ų110115 Ų11577%0.76967%0.667SS**  trans-144.6110.5155.164.90000106.4
442S31.9Very low47.9Very low106 Ų106110.1 Ų110.174%0.74164%0.638SS**  trans-49.3137.216845.60000109.2R444S442-R444 PolarHBondContact O-N 3.19Å
443P34.6Very low50.1Low119 Ų11998.9 Ų98.977%0.77360%0.596SS**  trans-66.8102.4-179.125-30.4000108.6E445P443-E445 PolarHBondContact O-N 3.21Å
444R41.8Very low52.7Low198 Ų19890.6 Ų90.675%0.74755%0.552SS**  trans-55.1106.5168.1-157.7174.3-178-179.7-0.4106.5S442 A446S442-R444 PolarHBondContact O-N 3.19Å; R444-A446 PolarHBondContact O-N 3.44Å; R444-A446 VanDerWaalsContact O-N 3.14Å
445E44.8Very low55Low174 Ų17486.8 Ų86.881%0.81351%0.513SS*.PPolyproline II helixtrans-54.3122.2-177.8-78.9-174.2160.200108.4P443P443-E445 PolarHBondContact O-N 3.21Å
446A52.9Low57.9Low47 Ų4782.4 Ų82.439%0.38848%0.476SS..PPolyproline II helixtrans-58.7136.6179.400000109.2Q421 R444Q421-A446 HydrophobicContact CG-CB 3.92Å; R444-A446 PolarHBondContact O-N 3.44Å; R444-A446 VanDerWaalsContact O-N 3.14Å
447P60.8Low60.7Low33 Ų3378.1 Ų78.121%0.21445%0.453CS..PPolyproline II helixtrans-55.1129.7174.120.7-30.7000109.1P384 T449 A452 A453P384-P447 HydrophobicContact CG-CG 4.39Å; P447-T449 PolarHBondContact O-N 3.47Å; P447-A452 HydrophobicContact CB-CB 4.08Å; P447-A453 HydrophobicContact CB-CB 4.13Å; P447-A453 HydrophobicContact CG-CB 3.59Å
448P66.9Low63.5Low109 Ų10973.3 Ų73.371%0.70842%0.42SS*.SBendtrans-66.7-14.6-169.924.7-34.7000113.4
449T80Confident66.1Low46 Ų4674.6 Ų74.628%0.28241%0.413SS..SBendtrans-143.9150.2178.762.90000110.3P447 W451 A452 A453P447-T449 PolarHBondContact O-N 3.47Å; T449-W451 PolarHBondContact O-N 2.79Å; T449-A452 PolarHBondContact O-N 3.48Å; T449-A452 PolarHBondContact OG1-N 2.8Å; T449-A453 PolarHBondContact O-N 2.74Å
450G82.1Confident68.5Low0 Ų067.2 Ų67.20%038%0.381CS..Hα-helixtrans-56.7-29.417200000113.1L380 A382 A452 A453 L454L380-G450 WeakPolarHBondContact O-CA 3.48Å; L380-G450 PolarHBondContact O-N 3.08Å; L380-G450 VanDerWaalsContact O-N 3.08Å; A382-G450 PolarHBondContact O-N 3.43Å; G450-A452 VanDerWaalsContact C-N 3.33Å; G450-A452 PolarHBondContact O-N 2.95Å; G450-A453 WeakPolarHBondContact O-CB 3.31Å; G450-A453 PolarHBondContact O-N 3.39Å; G450-L454 PolarHBondContact O-N 3.22Å; G450-L454 VanDerWaalsContact O-N 3.16Å
451W86.1Confident70.9Confident21 Ų2165 Ų658%0.0837%0.365CS..Hα-helixtrans-62.3-37173.9-72.9111.6000113.9F372 I373 A376 Q377 L380 T449 L454 L484F372-W451 HydrophobicContact CE1-CZ3 4.29Å; I373-W451 HydrophobicContact CG1-CH2 4.3Å; A376-W451 HydrophobicContact CB-CH2 4.05Å; A376-W451 HydrophobicContact CB-CZ2 4.42Å; Q377-W451 HydrophobicContact CB-CZ2 4.49Å; L380-W451 HydrophobicContact CB-CD2 3.7Å; L380-W451 VanDerWaalsContact CB-CE2 3.49Å; L380-W451 HydrophobicContact CB-CE3 4.32Å; L380-W451 HydrophobicContact CB-CG 3.91Å; L380-W451 HydrophobicContact CB-CZ2 4Å; L380-W451 HydrophobicContact CD1-CD2 3.89Å; L380-W451 HydrophobicContact CD1-CE3 3.63Å; L380-W451 HydrophobicContact CD1-CH2 3.68Å; L380-W451 HydrophobicContact CD1-CZ2 3.96Å; L380-W451 HydrophobicContact CD1-CZ3 3.5Å; L380-W451 VanDerWaalsContact CD1-CZ3 3.5Å; L380-W451 HydrophobicContact CG-CD2 4.46Å; L380-W451 PolarHBondContact O-N 2.83Å; T449-W451 PolarHBondContact O-N 2.79Å; W451-L454 HydrophobicContact CE3-CD2 4.34Å; W451-L454 HydrophobicContact CZ3-CD2 4.21Å; W451-L484 HydrophobicContact CE3-CD2 4.5Å; W451-L484 HydrophobicContact CZ3-CD2 4.25Å
452A81.3Confident73.2Confident36 Ų3662.5 Ų62.530%0.29834%0.339SS..Hα-helixtrans-79.7-7.5174.400000112.3P447 T449 G450 R481P447-A452 HydrophobicContact CB-CB 4.08Å; T449-A452 PolarHBondContact O-N 3.48Å; T449-A452 PolarHBondContact OG1-N 2.8Å; G450-A452 VanDerWaalsContact C-N 3.33Å; G450-A452 PolarHBondContact O-N 2.95Å; A452-R481 VanDerWaalsContact O-CZ 3.26Å; A452-R481 PolarHBondContact O-NH1 2.86Å; A452-R481 VanDerWaalsContact O-NH1 3.09Å; A452-R481 PolarHBondContact O-NH2 3.44Å
453A83.9Confident75.4Confident2 Ų257.6 Ų57.62%0.01730%0.304CS..Hα-helixtrans-99.7-11177.400000113P384 V418 D419 P447 T449 G450P384-A453 HydrophobicContact CB-CB 4.3Å; P384-A453 HydrophobicContact CG-CB 3.86Å; V418-A453 WeakPolarHBondContact CA-O 3.41Å; V418-A453 HydrophobicContact CG1-CB 3.77Å; D419-A453 PolarHBondContact N-O 3.26Å; D419-A453 VanDerWaalsContact N-O 3.11Å; D419-A453 WeakPolarHBondContact O-CB 3.47Å; P447-A453 HydrophobicContact CB-CB 4.13Å; P447-A453 HydrophobicContact CG-CB 3.59Å; T449-A453 PolarHBondContact O-N 2.74Å; G450-A453 WeakPolarHBondContact O-CB 3.31Å; G450-A453 PolarHBondContact O-N 3.39Å
454L89.4Confident77.9Confident1 Ų152.2 Ų52.21%0.00527%0.269CS..EExtended strand (participates in β ladder)trans-77.3125.7-172.3-173.368.4000112.3F372 L380 V392 L416 T417 V418 G450 W451 R481 L484F372-L454 HydrophobicContact CE1-CD2 4.09Å; F372-L454 HydrophobicContact CZ-CD2 4.13Å; L380-L454 HydrophobicContact CD1-CD2 4.15Å; V392-L454 HydrophobicContact CG1-CD1 3.79Å; L416-L454 HydrophobicContact CB-CD1 4.01Å; L416-L454 HydrophobicContact CD1-CD1 4.44Å; L416-L454 HydrophobicContact CD2-CD1 4.31Å; L416-L454 HydrophobicContact CG-CD1 4.49Å; T417-L454 CarbonylContact O-C 3.57Å; T417-L454 WeakPolarHBondContact O-CA 3.46Å; V418-L454 HydrophobicContact CG2-CD1 4.06Å; G450-L454 PolarHBondContact O-N 3.22Å; G450-L454 VanDerWaalsContact O-N 3.16Å; W451-L454 HydrophobicContact CE3-CD2 4.34Å; W451-L454 HydrophobicContact CZ3-CD2 4.21Å; L454-R481 VanDerWaalsContact O-CG 3.32Å; L454-R481 WeakPolarHBondContact O-CG 3.32Å; L454-R481 PolarHBondContact O-NH1 3.39Å; L454-L484 HydrophobicContact CD2-CD2 3.69Å
455G90.6Very high79.8Confident1 Ų145.6 Ų45.61%0.0125%0.246CC..EExtended strand (participates in β ladder)trans-124172.6168.900000111.5L416 T417 N477L416-G455 CarbonylContact C-O 3.59Å; L416-G455 WeakPolarHBondContact CA-O 3.42Å; L416-G455 WeakPolarHBondContact CD2-O 3.39Å; T417-G455 PolarHBondContact N-O 3.12Å; T417-G455 PolarHBondContact O-N 3.4Å; T417-G455 WeakPolarHBondContact OG1-CA 3.33Å; G455-N477 VanDerWaalsContact CA-OD1 3.24Å; G455-N477 WeakPolarHBondContact CA-OD1 3.46Å
456L92Very high81.6Confident5 Ų538.6 Ų38.63%0.02621%0.214CC..EExtended strand (participates in β ladder)trans-121.7127172.1178.166.8000108.8F360 Y361 L414 L416 N477 F480F360-L456 HydrophobicContact CB-CD2 3.81Å; Y361-L456 HydrophobicContact CD1-CB 4.29Å; Y361-L456 HydrophobicContact CD1-CD2 3.89Å; Y361-L456 HydrophobicContact CD1-CG 4.43Å; Y361-L456 HydrophobicContact CD2-CD2 3.86Å; Y361-L456 HydrophobicContact CE1-CB 3.8Å; Y361-L456 HydrophobicContact CE1-CD2 3.92Å; Y361-L456 HydrophobicContact CE1-CG 3.98Å; Y361-L456 WeakPolarHBondContact CE1-O 3.27Å; Y361-L456 HydrophobicContact CE2-CD2 3.91Å; Y361-L456 HydrophobicContact CE2-CG 4.28Å; Y361-L456 HydrophobicContact CG-CD2 3.86Å; Y361-L456 PolarHBondContact OH-O 3.43Å; L414-L456 HydrophobicContact CB-CD1 4.44Å; L414-L456 HydrophobicContact CD2-CD1 4.16Å; L414-L456 HydrophobicContact CD2-CD2 4.46Å; L416-L456 HydrophobicContact CD2-CB 4.32Å; L416-L456 HydrophobicContact CD2-CD1 3.79Å; L456-N477 PolarHBondContact N-OD1 3.22Å; L456-F480 HydrophobicContact CB-CD1 4.03Å; L456-F480 HydrophobicContact CB-CE1 3.9Å; L456-F480 HydrophobicContact CB-CZ 4.27Å
457A91Very high83.2Confident39 Ų3936.6 Ų36.632%0.32220%0.197SC..EExtended strand (participates in β ladder)trans-109.7123.9171.500000109.5H415 T417H415-A457 PolarHBondContact N-O 3.22Å; H415-A457 PolarHBondContact O-N 3.48Å; T417-A457 HydrophobicContact CG2-CB 3.76Å
458Y90.9Very high84.5Confident14 Ų1435.2 Ų35.26%0.05519%0.188CC..EExtended strand (participates in β ladder)trans-105.5121.5173.1174.6-121000110I356 V357 Y361 L413 L414 V460I356-Y458 HydrophobicContact CG2-CE2 4.4Å; V357-Y458 HydrophobicContact CG2-CD1 4.28Å; V357-Y458 HydrophobicContact CG2-CE1 4.28Å; Y361-Y458 PolarHBondContact OH-N 3.18Å; L413-Y458 HydrophobicContact CB-CD2 4.38Å; L413-Y458 HydrophobicContact CB-CE2 4.08Å; L414-Y458 HydrophobicContact CD2-CD2 3.65Å; L414-Y458 HydrophobicContact CD2-CG 4.29Å; L414-Y458 HydrophobicContact CG-CD2 4.33Å; Y458-V460 HydrophobicContact CD1-CG2 3.54Å; Y458-V460 HydrophobicContact CE1-CB 4.4Å; Y458-V460 HydrophobicContact CE1-CG2 3.77Å; Y458-V460 PolarHBondContact O-N 3.16Å; Y458-V460 VanDerWaalsContact O-N 3.08Å
459K88Confident85.4Confident153 Ų15331 Ų3167%0.66516%0.16SC*.  trans-79.891.2177.5-170.9174.9-178.1176.90109.9L413L413-K459 PolarHBondContact O-N 3.02Å
460V86.1Confident85.6Confident31 Ų3133.9 Ų33.919%0.18818%0.18CC..PPolyproline II helixtrans-68.1132.5178.4-171.70000110.1Y458 L464 H465 F468 L473Y458-V460 HydrophobicContact CD1-CG2 3.54Å; Y458-V460 HydrophobicContact CE1-CB 4.4Å; Y458-V460 HydrophobicContact CE1-CG2 3.77Å; Y458-V460 PolarHBondContact O-N 3.16Å; Y458-V460 VanDerWaalsContact O-N 3.08Å; V460-L464 VanDerWaalsContact CG1-C 3.49Å; V460-L464 HydrophobicContact CG1-CB 3.7Å; V460-H465 HydrophobicContact CG1-CB 4.14Å; V460-H465 VanDerWaalsContact CG1-N 3.26Å; V460-F468 HydrophobicContact CB-CB 4.49Å; V460-F468 HydrophobicContact CG1-CB 4.12Å; V460-F468 HydrophobicContact CG1-CD2 4.06Å; V460-F468 HydrophobicContact CG2-CB 3.61Å; V460-F468 HydrophobicContact CG2-CD2 4.46Å; V460-F468 HydrophobicContact CG2-CG 4.33Å; V460-L473 HydrophobicContact CG2-CD1 3.93Å
461Q83.8Confident85.7Confident121 Ų12135.2 Ų35.257%0.56519%0.19SC*.PPolyproline II helixtrans-91.9152.6173.6-64.8-175.8-16.500110.8L464Q461-L464 PolarHBondContact O-N 3.47Å
462W78Confident85.8Confident56 Ų5634.6 Ų34.621%0.21219%0.189CC..THydrogen-bonded Turntrans-58.2137.3169.9-174.4100000109.7F286 H289 L343 H465F286-W462 HydrophobicContact CD1-CH2 4.43Å; F286-W462 HydrophobicContact CD1-CZ2 4.33Å; F286-W462 HydrophobicContact CE1-CH2 4.39Å; F286-W462 HydrophobicContact CG-CZ2 4.38Å; H289-W462 HydrophobicContact CB-CD2 4.4Å; H289-W462 HydrophobicContact CB-CZ2 4.33Å; H289-W462 AromaticContact CD2-CD1 3.29Å; H289-W462 AromaticContact CD2-CG 3.68Å; H289-W462 AromaticContact CD2-NE1 3.83Å; H289-W462 AromaticContact CE1-CD1 3.52Å; H289-W462 AromaticContact CE1-NE1 3.98Å; H289-W462 AromaticContact CG-CD1 3.36Å; H289-W462 AromaticContact CG-NE1 3.39Å; H289-W462 AromaticContact ND1-CD1 3.5Å; H289-W462 AromaticContact ND1-NE1 3.5Å; H289-W462 PolarHBondContact ND1-NE1 3.19Å; H289-W462 AromaticContact NE2-CD1 3.4Å; L343-W462 HydrophobicContact CD1-CH2 4.1Å; L343-W462 HydrophobicContact CD1-CZ3 4.1Å; L343-W462 HydrophobicContact CD2-CH2 3.46Å; L343-W462 VanDerWaalsContact CD2-CH2 3.46Å; L343-W462 HydrophobicContact CD2-CZ2 4.05Å; L343-W462 HydrophobicContact CD2-CZ3 3.96Å; L343-W462 HydrophobicContact CG-CH2 4.39Å; W462-H465 AromaticContact CD1-CE1 3.19Å; W462-H465 AromaticContact CD1-NE2 3.91Å; W462-H465 AromaticContact CG-CE1 3.94Å; W462-H465 AromaticContact NE1-CE1 3.85Å
463P79.3Confident86.2Confident3 Ų334.1 Ų34.12%0.01918%0.181CC..THydrogen-bonded Turncis-94.416.537.2-37.1000114.4L343 M344 A348 H465 I466L343-P463 HydrophobicContact CD2-CB 3.74Å; L343-P463 HydrophobicContact CD2-CG 3.75Å; L343-P463 HydrophobicContact CG-CB 4.47Å; L343-P463 HydrophobicContact CG-CG 3.94Å; M344-P463 HydrophobicContact CG-CG 4.14Å; A348-P463 HydrophobicContact CB-CG 3.81Å; P463-H465 VanDerWaalsContact C-ND1 3.29Å; P463-H465 PolarHBondContact O-N 3.1Å; P463-H465 PolarHBondContact O-ND1 3.12Å; P463-I466 WeakPolarHBondContact O-CG1 2.92Å; P463-I466 PolarHBondContact O-N 3.07Å
464L85.6Confident86.5Confident7 Ų738.6 Ų38.64%0.03720%0.202CC..G310 helixtrans-69.1-15.4-165.1-59.2178.9000114.9M344 A348 L350 K353 V460 Q461 I466 L467 F468M344-L464 HydrophobicContact CB-CD2 4.4Å; M344-L464 HydrophobicContact CE-CD2 3.64Å; M344-L464 HydrophobicContact CG-CD2 4.35Å; A348-L464 HydrophobicContact CB-CD2 3.96Å; A348-L464 HydrophobicContact CB-CG 4.2Å; L350-L464 HydrophobicContact CB-CD2 4.11Å; L350-L464 HydrophobicContact CD1-CD2 3.96Å; K353-L464 HydrophobicContact CB-CD1 3.73Å; K353-L464 HydrophobicContact CG-CD1 3.4Å; V460-L464 VanDerWaalsContact CG1-C 3.49Å; V460-L464 HydrophobicContact CG1-CB 3.7Å; Q461-L464 PolarHBondContact O-N 3.47Å; L464-I466 PolarHBondContact O-N 3.07Å; L464-I466 VanDerWaalsContact O-N 3.13Å; L464-L467 PolarHBondContact O-N 2.62Å; L464-F468 HydrophobicContact CB-CD2 3.92Å; L464-F468 HydrophobicContact CB-CE2 4.2Å; L464-F468 HydrophobicContact CD1-CE2 4.49Å; L464-F468 WeakPolarHBondContact O-CD2 3.39Å; L464-F468 PolarHBondContact O-N 3.3Å
465H82.3Confident86.5Confident58 Ų5840.7 Ų40.727%0.26921%0.211SC..G310 helixtrans-57.1-20.4173.265.9-49.3000114.3M285 V460 W462 P463 L467 F468M285-H465 WeakPolarHBondContact CE-NE2 3.23Å; M285-H465 VanDerWaalsContact SD-CE1 3.51Å; M285-H465 PolarHBondContact SD-NE2 3.29Å; V460-H465 HydrophobicContact CG1-CB 4.14Å; V460-H465 VanDerWaalsContact CG1-N 3.26Å; W462-H465 AromaticContact CD1-CE1 3.19Å; W462-H465 AromaticContact CD1-NE2 3.91Å; W462-H465 AromaticContact CG-CE1 3.94Å; W462-H465 AromaticContact NE1-CE1 3.85Å; P463-H465 VanDerWaalsContact C-ND1 3.29Å; P463-H465 PolarHBondContact O-N 3.1Å; P463-H465 PolarHBondContact O-ND1 3.12Å; H465-L467 VanDerWaalsContact C-N 3.3Å; H465-F468 CarbonylContact O-C 3.38Å
466I82.5Confident86.6Confident28 Ų2840.8 Ų40.814%0.14421%0.211CC..G310 helixtrans-64.2-37.9172.7-57.5171.1000110.9M285 L340 P463 L464 F555M285-I466 HydrophobicContact CG-CD1 4.31Å; M285-I466 HydrophobicContact SD-CD1 3.49Å; M285-I466 WeakPolarHBondContact SD-CD1 3.24Å; M285-I466 HydrophobicContact SD-CG1 3.26Å; M285-I466 WeakPolarHBondContact SD-CG1 3.47Å; L340-I466 HydrophobicContact CD2-CD1 4.12Å; P463-I466 WeakPolarHBondContact O-CG1 2.92Å; P463-I466 PolarHBondContact O-N 3.07Å; L464-I466 PolarHBondContact O-N 3.07Å; L464-I466 VanDerWaalsContact O-N 3.13Å; I466-F555 HydrophobicContact CB-CZ 4.3Å; I466-F555 HydrophobicContact CG2-CE1 3.73Å; I466-F555 HydrophobicContact CG2-CZ 3.58Å
467L86.3Confident86.6Confident4 Ų441.2 Ų41.22%0.02121%0.213CC..THydrogen-bonded Turntrans-88.8-47.8177.4-176.569.4000111.2M344 L350 L464 H465 T469 I558 R559 H562M344-L467 HydrophobicContact CE-CB 3.74Å; M344-L467 HydrophobicContact CE-CD2 4.32Å; L350-L467 HydrophobicContact CD1-CD2 3.56Å; L350-L467 HydrophobicContact CD2-CD2 4.16Å; L464-L467 PolarHBondContact O-N 2.62Å; H465-L467 VanDerWaalsContact C-N 3.3Å; L467-T469 VanDerWaalsContact C-N 3.28Å; L467-T469 PolarHBondContact O-N 3.19Å; L467-T469 VanDerWaalsContact O-N 3.11Å; L467-I558 HydrophobicContact CD2-CG2 4.41Å; L467-R559 HydrophobicContact CD1-CB 4.24Å; L467-R559 HydrophobicContact CD1-CG 4.4Å; L467-H562 HydrophobicContact CD1-CB 3.94Å
468F88.2Confident86.6Confident4 Ų441.2 Ų41.22%0.01821%0.209CC..SBendtrans-88.667.6178.5-57.4-65.1000110.7L350 L354 V357 V460 L464 H465 V472 L473L350-F468 HydrophobicContact CD1-CE2 4.04Å; L350-F468 HydrophobicContact CD1-CZ 4.19Å; L354-F468 HydrophobicContact CD2-CE1 3.89Å; L354-F468 HydrophobicContact CD2-CZ 3.65Å; L354-F468 HydrophobicContact CG-CZ 4.07Å; V357-F468 HydrophobicContact CG2-CD1 4.47Å; V357-F468 HydrophobicContact CG2-CE1 3.93Å; V357-F468 HydrophobicContact CG2-CZ 4.09Å; V460-F468 HydrophobicContact CB-CB 4.49Å; V460-F468 HydrophobicContact CG1-CB 4.12Å; V460-F468 HydrophobicContact CG1-CD2 4.06Å; V460-F468 HydrophobicContact CG2-CB 3.61Å; V460-F468 HydrophobicContact CG2-CD2 4.46Å; V460-F468 HydrophobicContact CG2-CG 4.33Å; L464-F468 HydrophobicContact CB-CD2 3.92Å; L464-F468 HydrophobicContact CB-CE2 4.2Å; L464-F468 HydrophobicContact CD1-CE2 4.49Å; L464-F468 WeakPolarHBondContact O-CD2 3.39Å; L464-F468 PolarHBondContact O-N 3.3Å; H465-F468 CarbonylContact O-C 3.38Å; F468-V472 HydrophobicContact CD1-CG1 4.5Å; F468-L473 HydrophobicContact CB-CD2 4.25Å; F468-L473 HydrophobicContact CB-CG 4.45Å
469T85.9Confident86.6Confident20 Ų2040.6 Ų40.612%0.12321%0.207CC..  trans-66.6158.5173.868.30000110.7L467 A471 V472 L473L467-T469 VanDerWaalsContact C-N 3.28Å; L467-T469 PolarHBondContact O-N 3.19Å; L467-T469 VanDerWaalsContact O-N 3.11Å; T469-A471 PolarHBondContact O-N 2.74Å; T469-V472 WeakPolarHBondContact O-CB 3.47Å; T469-V472 PolarHBondContact O-N 2.98Å; T469-V472 WeakPolarHBondContact OG1-CG2 3.28Å; T469-V472 PolarHBondContact OG1-N 2.87Å; T469-L473 PolarHBondContact O-N 3.21Å
470P84.6Confident86.9Confident108 Ų10833.3 Ų33.370%0.70118%0.175SC*.Hα-helixtrans-54-40175.6-27.835.8000113.1V472 L473 E474P470-V472 VanDerWaalsContact C-N 3.34Å; P470-V472 PolarHBondContact O-N 2.92Å; P470-L473 PolarHBondContact O-N 3.15Å; P470-E474 PolarHBondContact O-N 2.83Å
471A83.8Confident87.1Confident27 Ų2736 Ų3622%0.22318%0.182CC..Hα-helixtrans-63.2-38.2176.300000112.7T469 K475T469-A471 PolarHBondContact O-N 2.74Å; A471-K475 WeakPolarHBondContact O-CG 3.35Å; A471-K475 PolarHBondContact O-N 3.31Å
472V88.8Confident87.4Confident9 Ų930.9 Ų30.96%0.05516%0.157CC..Hα-helixtrans-66.8-43.8174.81630000111.3F468 T469 P470 E474 K475 Y476 H562 L566F468-V472 HydrophobicContact CD1-CG1 4.5Å; T469-V472 WeakPolarHBondContact O-CB 3.47Å; T469-V472 PolarHBondContact O-N 2.98Å; T469-V472 WeakPolarHBondContact OG1-CG2 3.28Å; T469-V472 PolarHBondContact OG1-N 2.87Å; P470-V472 VanDerWaalsContact C-N 3.34Å; P470-V472 PolarHBondContact O-N 2.92Å; V472-E474 VanDerWaalsContact C-N 3.3Å; V472-E474 PolarHBondContact O-N 3.46Å; V472-K475 WeakPolarHBondContact O-CB 3.36Å; V472-K475 PolarHBondContact O-N 2.83Å; V472-Y476 HydrophobicContact CG1-CD2 3.93Å; V472-Y476 HydrophobicContact CG1-CE2 3.76Å; V472-Y476 VanDerWaalsContact O-CD2 3.29Å; V472-Y476 WeakPolarHBondContact O-CD2 3.43Å; V472-Y476 PolarHBondContact O-N 2.8Å; V472-Y476 VanDerWaalsContact O-N 3.13Å; V472-H562 VanDerWaalsContact CG1-CE1 3.47Å; V472-H562 WeakPolarHBondContact CG1-CE1 3.47Å; V472-L566 HydrophobicContact CG1-CD2 4.11Å
473L89.9Confident88.1Confident25 Ų2528.7 Ų28.713%0.13115%0.15CC..Hα-helixtrans-64.8-34.7178.1-68176.9000112.2Y361 V460 F468 T469 P470 Y476 N477Y361-L473 HydrophobicContact CE2-CD2 4.22Å; V460-L473 HydrophobicContact CG2-CD1 3.93Å; F468-L473 HydrophobicContact CB-CD2 4.25Å; F468-L473 HydrophobicContact CB-CG 4.45Å; T469-L473 PolarHBondContact O-N 3.21Å; P470-L473 PolarHBondContact O-N 3.15Å; L473-Y476 WeakPolarHBondContact O-CB 3Å; L473-Y476 PolarHBondContact O-N 2.86Å; L473-N477 WeakPolarHBondContact O-CB 3.37Å; L473-N477 PolarHBondContact O-N 3.13Å
474E89.2Confident88.7Confident97 Ų9728.9 Ų28.945%0.45315%0.151SC..Hα-helixtrans-66.2-41.3175.7-166.354.5-13400111.9P470 V472 Y476 N477 V478P470-E474 PolarHBondContact O-N 2.83Å; V472-E474 VanDerWaalsContact C-N 3.3Å; V472-E474 PolarHBondContact O-N 3.46Å; E474-Y476 VanDerWaalsContact C-N 3.29Å; E474-Y476 PolarHBondContact O-N 2.69Å; E474-N477 WeakPolarHBondContact O-CA 3.37Å; E474-N477 VanDerWaalsContact O-CB 3.31Å; E474-N477 WeakPolarHBondContact O-CB 3.43Å; E474-N477 PolarHBondContact O-N 3.23Å; E474-N477 PolarHBondContact OE1-ND2 3.26Å; E474-V478 PolarHBondContact O-N 3.16Å
475K89.5Confident89Confident45 Ų4530.2 Ų30.220%0.19616%0.16CC..Hα-helixtrans-58.2-41.5172.3-73.7175.5-174.8179.20112M249 A471 V472 N477 V478 V479 L566 L570M249-K475 WeakPolarHBondContact O-CE 3.5Å; M249-K475 HydrophobicContact SD-CG 4.36Å; A471-K475 WeakPolarHBondContact O-CG 3.35Å; A471-K475 PolarHBondContact O-N 3.31Å; V472-K475 WeakPolarHBondContact O-CB 3.36Å; V472-K475 PolarHBondContact O-N 2.83Å; K475-N477 VanDerWaalsContact C-N 3.35Å; K475-V478 PolarHBondContact O-N 2.88Å; K475-V479 WeakPolarHBondContact O-CG2 3.3Å; K475-V479 PolarHBondContact O-N 3.46Å; K475-L566 HydrophobicContact CB-CD1 4.37Å; K475-L566 HydrophobicContact CB-CD2 3.55Å; K475-L566 HydrophobicContact CB-CG 4.01Å; K475-L566 HydrophobicContact CD-CD2 3.88Å; K475-L566 HydrophobicContact CD-CG 4.38Å; K475-L566 HydrophobicContact CG-CD2 4.38Å; K475-L570 HydrophobicContact CB-CD1 4.26Å; K475-L570 HydrophobicContact CD-CD1 4.38Å; K475-L570 HydrophobicContact CG-CD1 4.25Å
476Y93.4Very high89.5Confident3 Ų327.5 Ų27.51%0.01215%0.148CC..Hα-helixtrans-63.9-38.9172.2-82.4-66.6000112.4V357 Y361 L362 V472 L473 E474 V478 V479 F480 H562 F565 L566V357-Y476 HydrophobicContact CG1-CD1 4.1Å; V357-Y476 HydrophobicContact CG1-CD2 4.22Å; V357-Y476 HydrophobicContact CG1-CE1 3.85Å; V357-Y476 HydrophobicContact CG1-CE2 3.98Å; V357-Y476 HydrophobicContact CG1-CG 4.28Å; Y361-Y476 HydrophobicContact CG-CG 4.41Å; L362-Y476 HydrophobicContact CD1-CE1 4.5Å; L362-Y476 HydrophobicContact CD2-CD1 4.22Å; L362-Y476 HydrophobicContact CD2-CE1 4.42Å; V472-Y476 HydrophobicContact CG1-CD2 3.93Å; V472-Y476 HydrophobicContact CG1-CE2 3.76Å; V472-Y476 VanDerWaalsContact O-CD2 3.29Å; V472-Y476 WeakPolarHBondContact O-CD2 3.43Å; V472-Y476 PolarHBondContact O-N 2.8Å; V472-Y476 VanDerWaalsContact O-N 3.13Å; L473-Y476 WeakPolarHBondContact O-CB 3Å; L473-Y476 PolarHBondContact O-N 2.86Å; E474-Y476 VanDerWaalsContact C-N 3.29Å; E474-Y476 PolarHBondContact O-N 2.69Å; Y476-V478 VanDerWaalsContact C-N 3.34Å; Y476-V478 PolarHBondContact O-N 2.96Å; Y476-V479 WeakPolarHBondContact O-CB 3.38Å; Y476-V479 PolarHBondContact O-N 3.45Å; Y476-F480 WeakPolarHBondContact O-CB 3.14Å; Y476-F480 PolarHBondContact O-N 3.27Å; Y476-H562 AromaticContact CE2-CE1 3.76Å; Y476-H562 AromaticContact CE2-NE2 3.54Å; Y476-H562 AromaticContact CZ-NE2 3.56Å; Y476-H562 PolarHBondContact OH-NE2 2.7Å; Y476-F565 HydrophobicContact CE1-CE1 4.14Å; Y476-F565 WeakPolarHBondContact OH-CE1 3.3Å; Y476-L566 HydrophobicContact CD1-CD1 3.85Å; Y476-L566 HydrophobicContact CD2-CD1 4.37Å; Y476-L566 HydrophobicContact CD2-CD2 4.2Å; Y476-L566 HydrophobicContact CE1-CD1 3.77Å; Y476-L566 HydrophobicContact CE2-CD1 4.31Å; Y476-L566 HydrophobicContact CE2-CD2 4.07Å; Y476-L566 HydrophobicContact CG-CD1 4.15Å
477N91.4Very high89.9Confident14 Ų1428.7 Ų28.78%0.07515%0.151CC..Hα-helixtrans-63.9-38179.3-164.840.5000112.2Y361 G455 L456 L473 E474 K475 F480 R481Y361-N477 HydrophobicContact CE1-CB 4.2Å; G455-N477 VanDerWaalsContact CA-OD1 3.24Å; G455-N477 WeakPolarHBondContact CA-OD1 3.46Å; L456-N477 PolarHBondContact N-OD1 3.22Å; L473-N477 WeakPolarHBondContact O-CB 3.37Å; L473-N477 PolarHBondContact O-N 3.13Å; E474-N477 WeakPolarHBondContact O-CA 3.37Å; E474-N477 VanDerWaalsContact O-CB 3.31Å; E474-N477 WeakPolarHBondContact O-CB 3.43Å; E474-N477 PolarHBondContact O-N 3.23Å; E474-N477 PolarHBondContact OE1-ND2 3.26Å; K475-N477 VanDerWaalsContact C-N 3.35Å; N477-F480 WeakPolarHBondContact O-CB 3.41Å; N477-F480 PolarHBondContact O-N 3.1Å; N477-R481 WeakPolarHBondContact O-CB 3.29Å; N477-R481 WeakPolarHBondContact O-CD 3.43Å; N477-R481 VanDerWaalsContact O-CG 3.25Å; N477-R481 WeakPolarHBondContact O-CG 3.18Å; N477-R481 PolarHBondContact O-N 2.99Å
478V90.2Very high90.2Very high39 Ų3929.5 Ų29.524%0.23615%0.154CC..Hα-helixtrans-62.3-45.3173.7170.90000111.6M249 E474 K475 Y476 R481 Y482 L570 I575M249-V478 HydrophobicContact CE-CB 3.87Å; M249-V478 HydrophobicContact CE-CG1 3.83Å; M249-V478 HydrophobicContact CE-CG2 3.56Å; M249-V478 HydrophobicContact SD-CB 4.42Å; M249-V478 HydrophobicContact SD-CG2 3.61Å; E474-V478 PolarHBondContact O-N 3.16Å; K475-V478 PolarHBondContact O-N 2.88Å; Y476-V478 VanDerWaalsContact C-N 3.34Å; Y476-V478 PolarHBondContact O-N 2.96Å; V478-R481 PolarHBondContact O-N 2.92Å; V478-Y482 PolarHBondContact O-N 2.88Å; V478-Y482 VanDerWaalsContact O-N 3.16Å; V478-L570 HydrophobicContact CG1-CD2 4.47Å; V478-I575 HydrophobicContact CG1-CG2 4.03Å
479V91.8Very high90.4Very high0 Ų029.3 Ų29.30%015%0.153CC..Hα-helixtrans-62.3-46.6175.41740000110.6L362 K475 Y476 R481 Y482 L483 L569 L570 I575L362-V479 HydrophobicContact CD2-CB 4.47Å; L362-V479 HydrophobicContact CD2-CG1 3.59Å; K475-V479 WeakPolarHBondContact O-CG2 3.3Å; K475-V479 PolarHBondContact O-N 3.46Å; Y476-V479 WeakPolarHBondContact O-CB 3.38Å; Y476-V479 PolarHBondContact O-N 3.45Å; V479-R481 PolarHBondContact O-N 3.01Å; V479-Y482 WeakPolarHBondContact O-CB 3.41Å; V479-Y482 PolarHBondContact O-N 3.1Å; V479-L483 HydrophobicContact CG1-CD1 3.69Å; V479-L483 HydrophobicContact CG1-CG 4.11Å; V479-L483 WeakPolarHBondContact O-CG 3.44Å; V479-L483 PolarHBondContact O-N 3.03Å; V479-L569 HydrophobicContact CB-CD2 3.9Å; V479-L569 HydrophobicContact CG1-CD2 3.35Å; V479-L569 HydrophobicContact CG2-CD2 3.27Å; V479-L570 HydrophobicContact CG2-CD2 3.53Å; V479-L570 HydrophobicContact CG2-CG 4.11Å; V479-I575 HydrophobicContact CG2-CD1 4.11Å
480F93.6Very high90.7Very high0 Ų029.5 Ų29.50%015%0.152CC..Hα-helixtrans-54.9-50.2178.8165.3-107.4000111.8F360 Y361 L363 Y369 L416 L456 Y476 N477 Y482 L483 L484F360-F480 WeakPolarHBondContact O-CD2 3.48Å; Y361-F480 HydrophobicContact CD1-CB 3.93Å; Y361-F480 HydrophobicContact CD1-CG 4.43Å; Y361-F480 VanDerWaalsContact O-CA 3.24Å; Y361-F480 WeakPolarHBondContact O-CA 3.29Å; Y361-F480 VanDerWaalsContact O-CB 3.29Å; Y361-F480 WeakPolarHBondContact O-CB 3.47Å; L363-F480 HydrophobicContact CD2-CD2 3.76Å; L363-F480 HydrophobicContact CD2-CE2 3.65Å; Y369-F480 AromaticContact CE1-CE2 3.66Å; Y369-F480 HydrophobicContact CE1-CE2 3.66Å; Y369-F480 HydrophobicContact CE1-CZ 4.17Å; Y369-F480 AromaticContact CZ-CE2 3.86Å; L416-F480 HydrophobicContact CD2-CZ 4.36Å; L456-F480 HydrophobicContact CB-CD1 4.03Å; L456-F480 HydrophobicContact CB-CE1 3.9Å; L456-F480 HydrophobicContact CB-CZ 4.27Å; Y476-F480 WeakPolarHBondContact O-CB 3.14Å; Y476-F480 PolarHBondContact O-N 3.27Å; N477-F480 WeakPolarHBondContact O-CB 3.41Å; N477-F480 PolarHBondContact O-N 3.1Å; F480-Y482 VanDerWaalsContact C-N 3.3Å; F480-Y482 PolarHBondContact O-N 3.45Å; F480-L483 PolarHBondContact O-N 3.28Å; F480-L484 HydrophobicContact CE1-CD2 4.31Å; F480-L484 HydrophobicContact CE2-CD2 4.47Å; F480-L484 HydrophobicContact CZ-CD2 3.92Å; F480-L484 VanDerWaalsContact O-CB 3.23Å; F480-L484 WeakPolarHBondContact O-CB 3.44Å; F480-L484 PolarHBondContact O-N 3.43Å
481R90.3Very high90.9Very high87 Ų8724.8 Ų24.833%0.32812%0.122SC..Hα-helixtrans-60.1-41.1178.8-72.3163.76295.4-9.7111.8A452 L454 N477 V478 V479 S485A452-R481 VanDerWaalsContact O-CZ 3.26Å; A452-R481 PolarHBondContact O-NH1 2.86Å; A452-R481 VanDerWaalsContact O-NH1 3.09Å; A452-R481 PolarHBondContact O-NH2 3.44Å; L454-R481 VanDerWaalsContact O-CG 3.32Å; L454-R481 WeakPolarHBondContact O-CG 3.32Å; L454-R481 PolarHBondContact O-NH1 3.39Å; N477-R481 WeakPolarHBondContact O-CB 3.29Å; N477-R481 WeakPolarHBondContact O-CD 3.43Å; N477-R481 VanDerWaalsContact O-CG 3.25Å; N477-R481 WeakPolarHBondContact O-CG 3.18Å; N477-R481 PolarHBondContact O-N 2.99Å; V478-R481 PolarHBondContact O-N 2.92Å; V479-R481 PolarHBondContact O-N 3.01Å; R481-S485 WeakPolarHBondContact O-CB 3.29Å; R481-S485 PolarHBondContact O-N 3.41Å
482Y90.8Very high91.2Very high14 Ų1424.7 Ų24.76%0.05512%0.117CC..Hα-helixtrans-64.6-52176.7179.2-112.4000112.3V478 V479 F480 L484 S485 V486 L533 I575 F581 L584V478-Y482 PolarHBondContact O-N 2.88Å; V478-Y482 VanDerWaalsContact O-N 3.16Å; V479-Y482 WeakPolarHBondContact O-CB 3.41Å; V479-Y482 PolarHBondContact O-N 3.1Å; F480-Y482 VanDerWaalsContact C-N 3.3Å; F480-Y482 PolarHBondContact O-N 3.45Å; Y482-L484 VanDerWaalsContact C-N 3.29Å; Y482-L484 PolarHBondContact O-N 3.35Å; Y482-S485 WeakPolarHBondContact O-CB 3.41Å; Y482-S485 PolarHBondContact O-N 3.41Å; Y482-V486 HydrophobicContact CE1-CG2 4.49Å; Y482-V486 HydrophobicContact CE2-CG2 4.36Å; Y482-V486 PolarHBondContact O-N 3.34Å; Y482-V486 VanDerWaalsContact O-N 3.13Å; Y482-L533 HydrophobicContact CE1-CD1 3.86Å; Y482-L533 HydrophobicContact CE1-CD2 4.32Å; Y482-I575 HydrophobicContact CD1-CD1 3.97Å; Y482-I575 HydrophobicContact CD1-CG1 4.06Å; Y482-I575 HydrophobicContact CE1-CG1 4.48Å; Y482-I575 HydrophobicContact CG-CD1 4.17Å; Y482-I575 HydrophobicContact CG-CG1 4.21Å; Y482-F581 HydrophobicContact CD2-CD2 4.36Å; Y482-F581 AromaticContact CD2-CE2 3.64Å; Y482-F581 HydrophobicContact CD2-CE2 3.64Å; Y482-F581 HydrophobicContact CE2-CD2 4.21Å; Y482-F581 AromaticContact CE2-CE2 3.91Å; Y482-F581 HydrophobicContact CE2-CE2 3.91Å; Y482-F581 HydrophobicContact CG-CE2 4.44Å; Y482-L584 WeakPolarHBondContact OH-CD1 3.35Å
483L92.6Very high91.3Very high10 Ų1024.4 Ų24.45%0.05212%0.115CC..Hα-helixtrans-59.9-40.7178.5-67.9174.4000111.6L362 L363 V479 F480 S485 V486 R487 L533 L538L362-L483 HydrophobicContact CB-CD1 4.43Å; L362-L483 HydrophobicContact CD2-CD1 4.34Å; L363-L483 VanDerWaalsContact CD1-C 3.5Å; L363-L483 HydrophobicContact CD1-CB 3.61Å; L363-L483 HydrophobicContact CG-CB 4.01Å; V479-L483 HydrophobicContact CG1-CD1 3.69Å; V479-L483 HydrophobicContact CG1-CG 4.11Å; V479-L483 WeakPolarHBondContact O-CG 3.44Å; V479-L483 PolarHBondContact O-N 3.03Å; F480-L483 PolarHBondContact O-N 3.28Å; L483-S485 VanDerWaalsContact C-N 3.33Å; L483-S485 PolarHBondContact O-N 3.47Å; L483-V486 PolarHBondContact O-N 3.17Å; L483-R487 WeakPolarHBondContact O-CB 3.45Å; L483-R487 PolarHBondContact O-N 3.5Å; L483-L533 HydrophobicContact CD2-CB 4.26Å; L483-L533 HydrophobicContact CD2-CD1 4.23Å; L483-L538 HydrophobicContact CD1-CD1 3.82Å; L483-L538 HydrophobicContact CD2-CD1 4.17Å
484L92.6Very high91.3Very high8 Ų828.7 Ų28.74%0.04213%0.134CC..Hα-helixtrans-65.9-38.5179.1-174.366.3000111.2L363 Y369 I373 W451 L454 F480 Y482 R487 R488L363-L484 HydrophobicContact CD1-CB 4.38Å; L363-L484 HydrophobicContact CD2-CD1 4.48Å; Y369-L484 HydrophobicContact CD1-CD1 3.96Å; I373-L484 HydrophobicContact CD1-CD1 3.96Å; I373-L484 HydrophobicContact CG1-CD1 4.11Å; W451-L484 HydrophobicContact CE3-CD2 4.5Å; W451-L484 HydrophobicContact CZ3-CD2 4.25Å; L454-L484 HydrophobicContact CD2-CD2 3.69Å; F480-L484 HydrophobicContact CE1-CD2 4.31Å; F480-L484 HydrophobicContact CE2-CD2 4.47Å; F480-L484 HydrophobicContact CZ-CD2 3.92Å; F480-L484 VanDerWaalsContact O-CB 3.23Å; F480-L484 WeakPolarHBondContact O-CB 3.44Å; F480-L484 PolarHBondContact O-N 3.43Å; Y482-L484 VanDerWaalsContact C-N 3.29Å; Y482-L484 PolarHBondContact O-N 3.35Å; L484-R487 PolarHBondContact O-N 2.73Å; L484-R488 WeakPolarHBondContact O-CB 3.33Å; L484-R488 PolarHBondContact O-N 2.79Å
485S91Very high91.2Very high34 Ų3429.5 Ų29.524%0.23814%0.138CC..Hα-helixtrans-61-46.8175-170.30000111.8R481 Y482 L483 R488 V489R481-S485 WeakPolarHBondContact O-CB 3.29Å; R481-S485 PolarHBondContact O-N 3.41Å; Y482-S485 WeakPolarHBondContact O-CB 3.41Å; Y482-S485 PolarHBondContact O-N 3.41Å; L483-S485 VanDerWaalsContact C-N 3.33Å; L483-S485 PolarHBondContact O-N 3.47Å; S485-R488 PolarHBondContact O-N 3.28Å; S485-V489 WeakPolarHBondContact O-CG2 3.48Å; S485-V489 PolarHBondContact O-N 3.43Å
486V92.6Very high91Very high2 Ų227.5 Ų27.51%0.01213%0.13CC..Hα-helixtrans-60.9-48.1176.4177.90000110.6Y482 L483 R488 V489 Q490 I526 Q530 L533 L588Y482-V486 HydrophobicContact CE1-CG2 4.49Å; Y482-V486 HydrophobicContact CE2-CG2 4.36Å; Y482-V486 PolarHBondContact O-N 3.34Å; Y482-V486 VanDerWaalsContact O-N 3.13Å; L483-V486 PolarHBondContact O-N 3.17Å; V486-R488 VanDerWaalsContact C-N 3.33Å; V486-R488 PolarHBondContact O-N 2.83Å; V486-V489 PolarHBondContact O-N 2.61Å; V486-Q490 PolarHBondContact O-N 2.89Å; V486-I526 HydrophobicContact CG1-CG2 4.22Å; V486-Q530 HydrophobicContact CG1-CB 4.17Å; V486-L533 HydrophobicContact CG2-CD1 4.49Å; V486-L588 HydrophobicContact CG2-CD1 4.11Å; V486-L588 HydrophobicContact CG2-CD2 4.33Å
487R92.1Very high90.6Very high52 Ų5232.7 Ų32.720%0.19615%0.149CC..Hα-helixtrans-62.6-38.4179.7-17359.3177.9-175-3.1112.5L363 I373 L483 L484 Q490 S491L363-R487 HydrophobicContact CD1-CB 4.27Å; I373-R487 HydrophobicContact CD1-CB 4.4Å; I373-R487 HydrophobicContact CD1-CG 3.95Å; L483-R487 WeakPolarHBondContact O-CB 3.45Å; L483-R487 PolarHBondContact O-N 3.5Å; L484-R487 PolarHBondContact O-N 2.73Å; R487-Q490 WeakPolarHBondContact O-CB 3.32Å; R487-Q490 PolarHBondContact O-N 3.34Å; R487-S491 PolarHBondContact O-N 3.48Å
488R91.6Very high90.3Very high22 Ų2233.8 Ų33.88%0.08316%0.16CC..Hα-helixtrans-64.8-44.8176.7-175.9176.365.5104.76.7111.6I373 L484 S485 V486 Q490 S491 Q492I373-R488 HydrophobicContact CD1-CB 4.4Å; I373-R488 HydrophobicContact CG2-CG 4.21Å; L484-R488 WeakPolarHBondContact O-CB 3.33Å; L484-R488 PolarHBondContact O-N 2.79Å; S485-R488 PolarHBondContact O-N 3.28Å; V486-R488 VanDerWaalsContact C-N 3.33Å; V486-R488 PolarHBondContact O-N 2.83Å; R488-Q490 VanDerWaalsContact C-N 3.33Å; R488-S491 PolarHBondContact O-N 3.05Å; R488-Q492 WeakPolarHBondContact O-CB 3.33Å; R488-Q492 VanDerWaalsContact O-CG 3.26Å; R488-Q492 WeakPolarHBondContact O-CG 3.49Å; R488-Q492 PolarHBondContact O-N 2.92Å
489V92.1Very high89.8Confident0 Ų033.5 Ų33.50%016%0.157CC..Hα-helixtrans-63.4-40.9176.1172.70000111.1S485 V486 Q492 L493 I526 L588 C591 Q592S485-V489 WeakPolarHBondContact O-CG2 3.48Å; S485-V489 PolarHBondContact O-N 3.43Å; V486-V489 PolarHBondContact O-N 2.61Å; V489-Q492 PolarHBondContact O-N 3.06Å; V489-L493 HydrophobicContact CG1-CD1 4.02Å; V489-L493 HydrophobicContact CG1-CG 4.4Å; V489-L493 WeakPolarHBondContact O-CB 3.24Å; V489-L493 WeakPolarHBondContact O-CG 3.38Å; V489-L493 PolarHBondContact O-N 3.17Å; V489-I526 HydrophobicContact CG1-CG1 4.36Å; V489-L588 HydrophobicContact CB-CD2 3.86Å; V489-L588 HydrophobicContact CG1-CD2 4.05Å; V489-L588 HydrophobicContact CG2-CB 4.13Å; V489-L588 HydrophobicContact CG2-CD2 3.79Å; V489-C591 HydrophobicContact CG1-CB 3.38Å; V489-Q592 HydrophobicContact CG2-CG 3.77Å
490Q92Very high89.1Confident23 Ų2334.4 Ų34.411%0.10716%0.161CC..Hα-helixtrans-57.8-51.4174.2-170.7-17520.800111.6V486 R487 R488 Q492 L493 Q494 I526 D527V486-Q490 PolarHBondContact O-N 2.89Å; R487-Q490 WeakPolarHBondContact O-CB 3.32Å; R487-Q490 PolarHBondContact O-N 3.34Å; R488-Q490 VanDerWaalsContact C-N 3.33Å; Q490-Q492 VanDerWaalsContact C-N 3.35Å; Q490-Q492 PolarHBondContact O-N 3.2Å; Q490-L493 PolarHBondContact O-N 3.02Å; Q490-Q494 PolarHBondContact O-N 3.06Å; Q490-I526 HydrophobicContact CB-CG2 3.88Å; Q490-I526 HydrophobicContact CG-CG2 4.37Å; Q490-D527 PolarHBondContact NE2-OD1 3.17Å
491S90.9Very high88.5Confident9 Ų938.4 Ų38.46%0.06318%0.181CC..Hα-helixtrans-59.8-42.8178.1-177.60000111.9Q370 R487 R488 L493 Q494 H495Q370-S491 PolarHBondContact NE2-OG 2.96Å; R487-S491 PolarHBondContact O-N 3.48Å; R488-S491 PolarHBondContact O-N 3.05Å; S491-L493 PolarHBondContact O-N 3.15Å; S491-Q494 PolarHBondContact O-N 3.41Å; S491-H495 WeakPolarHBondContact O-CB 3.37Å; S491-H495 PolarHBondContact O-N 3.38Å
492Q89.6Confident87.8Confident26 Ų2641.2 Ų41.212%0.12120%0.198CC..Hα-helixtrans-63.5-43.1177.1-72173.78.400112.4R488 V489 Q490 Q494 H495 C496 C595R488-Q492 WeakPolarHBondContact O-CB 3.33Å; R488-Q492 VanDerWaalsContact O-CG 3.26Å; R488-Q492 WeakPolarHBondContact O-CG 3.49Å; R488-Q492 PolarHBondContact O-N 2.92Å; V489-Q492 PolarHBondContact O-N 3.06Å; Q490-Q492 VanDerWaalsContact C-N 3.35Å; Q490-Q492 PolarHBondContact O-N 3.2Å; Q492-Q494 VanDerWaalsContact C-N 3.29Å; Q492-Q494 PolarHBondContact O-N 3.02Å; Q492-H495 PolarHBondContact O-N 3.49Å; Q492-C496 PolarHBondContact O-N 3.42Å; Q492-C496 PolarHBondContact O-SG 2.79Å; Q492-C496 VanDerWaalsContact O-SG 3.35Å; Q492-C595 HydrophobicContact CB-CB 4.3Å
493L90.3Very high86.8Confident3 Ų344.2 Ų44.22%0.01621%0.209CC..Hα-helixtrans-63.1-36.4175.6-74.6170.8000111.7V489 Q490 S491 W497 R519 M522 I526 C591 F594V489-L493 HydrophobicContact CG1-CD1 4.02Å; V489-L493 HydrophobicContact CG1-CG 4.4Å; V489-L493 WeakPolarHBondContact O-CB 3.24Å; V489-L493 WeakPolarHBondContact O-CG 3.38Å; V489-L493 PolarHBondContact O-N 3.17Å; Q490-L493 PolarHBondContact O-N 3.02Å; S491-L493 PolarHBondContact O-N 3.15Å; L493-W497 PolarHBondContact O-N 3.18Å; L493-R519 PolarHBondContact O-NE 2.89Å; L493-R519 PolarHBondContact O-NH2 3.28Å; L493-M522 HydrophobicContact CD1-CB 4.09Å; L493-M522 HydrophobicContact CD2-CB 4.19Å; L493-M522 HydrophobicContact CD2-SD 4.39Å; L493-I526 HydrophobicContact CD1-CG1 4.17Å; L493-C591 HydrophobicContact CD1-CB 4.37Å; L493-F594 HydrophobicContact CD2-CD1 4.05Å; L493-F594 HydrophobicContact CD2-CE1 4.43Å
494Q89.4Confident85.4Confident115 Ų11549.3 Ų49.354%0.53723%0.231SC..Hα-helixtrans-68.8-41.5173.6-171.8174.1-1.400111.6Q490 S491 Q492 C496 W497 A498Q490-Q494 PolarHBondContact O-N 3.06Å; S491-Q494 PolarHBondContact O-N 3.41Å; Q492-Q494 VanDerWaalsContact C-N 3.29Å; Q492-Q494 PolarHBondContact O-N 3.02Å; Q494-C496 PolarHBondContact O-N 2.8Å; Q494-W497 WeakPolarHBondContact O-CB 3.42Å; Q494-W497 PolarHBondContact O-N 3.19Å; Q494-W497 VanDerWaalsContact O-N 3.1Å; Q494-A498 PolarHBondContact O-N 3.31Å
495H87.3Confident83.5Confident113 Ų11357.8 Ų57.852%0.52327%0.27SS..Hα-helixtrans-61.9-41.9174.8-175.275.4000112S491 Q492 W497 A498 L499S491-H495 WeakPolarHBondContact O-CB 3.37Å; S491-H495 PolarHBondContact O-N 3.38Å; Q492-H495 PolarHBondContact O-N 3.49Å; H495-W497 PolarHBondContact O-N 3.05Å; H495-A498 WeakPolarHBondContact O-CB 3Å; H495-A498 PolarHBondContact O-N 3.27Å; H495-L499 PolarHBondContact O-N 3.43Å
496C85.4Confident82Confident4 Ų462.2 Ų62.23%0.02729%0.29CS..Hα-helixtrans-58.9-32.5174-730000112.8Q492 Q494 Q500 C595 V598Q492-C496 PolarHBondContact O-N 3.42Å; Q492-C496 PolarHBondContact O-SG 2.79Å; Q492-C496 VanDerWaalsContact O-SG 3.35Å; Q494-C496 PolarHBondContact O-N 2.8Å; C496-Q500 WeakPolarHBondContact O-CB 3.42Å; C496-Q500 VanDerWaalsContact O-CG 3.27Å; C496-Q500 WeakPolarHBondContact O-CG 3.28Å; C496-Q500 PolarHBondContact O-N 3.06Å; C496-C595 VanDerWaalsContact SG-CA 3.52Å; C496-V598 HydrophobicContact CB-CG1 4.11Å
497W84.6Confident80.3Confident112 Ų11272.3 Ų72.342%0.42433%0.334SS..Hα-helixtrans-61.8-49.5171.4-169.540.8000112.4L493 Q494 H495 L499 Q500 M501 W516 R519L493-W497 PolarHBondContact O-N 3.18Å; Q494-W497 WeakPolarHBondContact O-CB 3.42Å; Q494-W497 PolarHBondContact O-N 3.19Å; Q494-W497 VanDerWaalsContact O-N 3.1Å; H495-W497 PolarHBondContact O-N 3.05Å; W497-L499 VanDerWaalsContact C-N 3.26Å; W497-L499 PolarHBondContact O-N 3.41Å; W497-Q500 CarbonylContact O-C 3.48Å; W497-Q500 PolarHBondContact O-N 3.45Å; W497-Q500 VanDerWaalsContact O-N 3.12Å; W497-M501 HydrophobicContact CZ2-SD 4.34Å; W497-M501 VanDerWaalsContact O-CB 3.31Å; W497-M501 WeakPolarHBondContact O-CB 3.14Å; W497-M501 PolarHBondContact O-N 2.79Å; W497-W516 AromaticContact CD1-CH2 3.93Å; W497-W516 AromaticContact CD1-CZ3 3.57Å; W497-W516 AromaticContact NE1-CZ3 3.73Å; W497-R519 VanDerWaalsContact CG-CZ 3.49Å; W497-R519 VanDerWaalsContact CG-NH1 3.31Å
498A85.1Confident78.7Confident36 Ų3675.2 Ų75.230%0.29836%0.362SS..Hα-helixtrans-61.6-42.6-175.200000109.2Q494 H495 M501 Q502Q494-A498 PolarHBondContact O-N 3.31Å; H495-A498 WeakPolarHBondContact O-CB 3Å; H495-A498 PolarHBondContact O-N 3.27Å; A498-M501 PolarHBondContact O-N 3.48Å; A498-Q502 VanDerWaalsContact O-CG 3.28Å; A498-Q502 WeakPolarHBondContact O-CG 3.09Å; A498-Q502 PolarHBondContact O-N 2.8Å
499L81.4Confident77.5Confident33 Ų3376.8 Ų76.817%0.17338%0.377CS..Hα-helixtrans-60.2-45.7173.1-68177.3000112.6H495 W497 R503H495-L499 PolarHBondContact O-N 3.43Å; W497-L499 VanDerWaalsContact C-N 3.26Å; W497-L499 PolarHBondContact O-N 3.41Å; L499-R503 VanDerWaalsContact O-CG 3.25Å; L499-R503 WeakPolarHBondContact O-CG 3.29Å; L499-R503 PolarHBondContact O-N 2.87Å
500Q77.1Confident76.4Confident20 Ų2085.4 Ų85.49%0.09342%0.417CS..Hα-helixtrans-67-36.2177.3-73.7173.6-8.900112.3C496 W497 R503 K504 W516 V598C496-Q500 WeakPolarHBondContact O-CB 3.42Å; C496-Q500 VanDerWaalsContact O-CG 3.27Å; C496-Q500 WeakPolarHBondContact O-CG 3.28Å; C496-Q500 PolarHBondContact O-N 3.06Å; W497-Q500 CarbonylContact O-C 3.48Å; W497-Q500 PolarHBondContact O-N 3.45Å; W497-Q500 VanDerWaalsContact O-N 3.12Å; Q500-R503 CarbonylContact O-C 3.56Å; Q500-R503 PolarHBondContact O-N 3.28Å; Q500-K504 PolarHBondContact O-N 3.07Å; Q500-W516 HydrophobicContact CB-CH2 3.95Å; Q500-W516 HydrophobicContact CB-CZ2 3.73Å; Q500-V598 HydrophobicContact CG-CG1 3.99Å
501M80.2Confident75.4Confident83 Ų8385.9 Ų85.941%0.40942%0.423SS..Hα-helixtrans-67-45.2178.9-172.271.7-172.700111.4W497 A498 R503 K504W497-M501 HydrophobicContact CZ2-SD 4.34Å; W497-M501 VanDerWaalsContact O-CB 3.31Å; W497-M501 WeakPolarHBondContact O-CB 3.14Å; W497-M501 PolarHBondContact O-N 2.79Å; A498-M501 PolarHBondContact O-N 3.48Å; M501-R503 PolarHBondContact O-N 3.23Å; M501-K504 HydrophobicContact CE-CD 4.08Å; M501-K504 WeakPolarHBondContact O-CB 3.47Å; M501-K504 PolarHBondContact O-N 3.3Å; M501-K504 VanDerWaalsContact O-N 3.16Å; M501-K504 HydrophobicContact SD-CD 3.44Å; M501-K504 WeakPolarHBondContact SD-CD 3.19Å; M501-K504 WeakPolarHBondContact SD-CE 3.32Å; M501-K504 HydrophobicContact SD-CG 4.4Å; M501-K504 PolarHBondContact SD-NZ 3.36Å
502Q75.4Confident74.6Confident147 Ų14787.7 Ų87.769%0.68743%0.432SS*.Hα-helixtrans-60.4-29.3174.2-72.4170.9-600112.1A498A498-Q502 VanDerWaalsContact O-CG 3.28Å; A498-Q502 WeakPolarHBondContact O-CG 3.09Å; A498-Q502 PolarHBondContact O-N 2.8Å
503R70Confident74.2Confident77 Ų7789.1 Ų89.129%0.29145%0.448SS..THydrogen-bonded Turntrans-89.1-0.4179.5-68176.2-172166.68.2114.5L499 Q500 M501 H505 L506L499-R503 VanDerWaalsContact O-CG 3.25Å; L499-R503 WeakPolarHBondContact O-CG 3.29Å; L499-R503 PolarHBondContact O-N 2.87Å; Q500-R503 CarbonylContact O-C 3.56Å; Q500-R503 PolarHBondContact O-N 3.28Å; M501-R503 PolarHBondContact O-N 3.23Å; R503-H505 PolarHBondContact O-N 2.85Å; R503-L506 HydrophobicContact CB-CD1 4.16Å; R503-L506 HydrophobicContact CG-CD1 4.19Å; R503-L506 WeakPolarHBondContact O-CB 3.39Å; R503-L506 PolarHBondContact O-N 3.49Å
504K62.5Low73.8Confident116 Ų11692.1 Ų92.150%0.50447%0.466SS..THydrogen-bonded Turntrans-57.7-17.7-179.3-80.9-173.4178.2-178.30114.8Q500 M501 L506 W516Q500-K504 PolarHBondContact O-N 3.07Å; M501-K504 HydrophobicContact CE-CD 4.08Å; M501-K504 WeakPolarHBondContact O-CB 3.47Å; M501-K504 PolarHBondContact O-N 3.3Å; M501-K504 VanDerWaalsContact O-N 3.16Å; M501-K504 HydrophobicContact SD-CD 3.44Å; M501-K504 WeakPolarHBondContact SD-CD 3.19Å; M501-K504 WeakPolarHBondContact SD-CE 3.32Å; M501-K504 HydrophobicContact SD-CG 4.4Å; M501-K504 PolarHBondContact SD-NZ 3.36Å; K504-L506 VanDerWaalsContact C-N 3.34Å; K504-W516 HydrophobicContact CG-CZ2 4.5Å
505H53.8Low73.4Confident186 Ų18687.9 Ų87.986%0.86145%0.446SS*.THydrogen-bonded Turntrans-82.7-5.4176.2-66.2-73.7000114.3R503R503-H505 PolarHBondContact O-N 2.85Å
506L59.1Low73.2Confident128 Ų12885.6 Ų85.667%0.6743%0.433SS*.SBendtrans-90.5155.1174-68.8156.9000110.6R503 K504 S508R503-L506 HydrophobicContact CB-CD1 4.16Å; R503-L506 HydrophobicContact CG-CD1 4.19Å; R503-L506 WeakPolarHBondContact O-CB 3.39Å; R503-L506 PolarHBondContact O-N 3.49Å; K504-L506 VanDerWaalsContact C-N 3.34Å; L506-S508 PolarHBondContact O-N 3.34Å
507K56Low73.2Confident214 Ų21494.5 Ų94.593%0.9347%0.466SS*.PPolyproline II helixtrans-53.2120.1-175.6-69.7-178.3179178.70111.4S509K507-S509 PolarHBondContact O-N 3.07Å
508S58.8Low73.2Confident113 Ų11389.7 Ų89.779%0.7945%0.448SS*.PPolyproline II helixtrans-69122.5179-171.30000111.3L506L506-S508 PolarHBondContact O-N 3.34Å
509S66.9Low73.4Confident55 Ų5588.9 Ų88.939%0.38544%0.438SS..PPolyproline II helixtrans-94158.3170.9-177.60000111.2K507 S511 D512K507-S509 PolarHBondContact O-N 3.07Å; S509-S511 PolarHBondContact O-N 3.12Å; S509-S511 PolarHBondContact OG-N 3.2Å; S509-S511 PolarHBondContact OG-OG 3.32Å; S509-D512 PolarHBondContact N-OD2 3.15Å; S509-D512 WeakPolarHBondContact O-CB 3.41Å; S509-D512 PolarHBondContact O-N 3.49Å
510Q68.4Low73.7Confident181 Ų18191.9 Ų91.985%0.84645%0.454SS*.Hα-helixtrans-60.9-28.4169.2-83.9-175.4-12.400112.1D512 A513Q510-D512 VanDerWaalsContact C-N 3.25Å; Q510-D512 PolarHBondContact O-N 3.12Å; Q510-A513 PolarHBondContact O-N 3.24Å
511S70.8Confident74.2Confident33 Ų3392.5 Ų92.523%0.23146%0.457CS..Hα-helixtrans-66.8-26.9177.264.80000112.6S509 V514 K515S509-S511 PolarHBondContact O-N 3.12Å; S509-S511 PolarHBondContact OG-N 3.2Å; S509-S511 PolarHBondContact OG-OG 3.32Å; S511-V514 PolarHBondContact O-N 3.44Å; S511-K515 WeakPolarHBondContact O-CG 2.9Å; S511-K515 PolarHBondContact O-N 2.79Å; S511-K515 VanDerWaalsContact O-N 3.11Å
512D75.3Confident74.7Confident46 Ų4688.5 Ų88.525%0.24644%0.437CS..Hα-helixtrans-66.9-43177.2-63.1-38.3000110.7S509 Q510 V514 K515 W516S509-D512 PolarHBondContact N-OD2 3.15Å; S509-D512 WeakPolarHBondContact O-CB 3.41Å; S509-D512 PolarHBondContact O-N 3.49Å; Q510-D512 VanDerWaalsContact C-N 3.25Å; Q510-D512 PolarHBondContact O-N 3.12Å; D512-V514 PolarHBondContact O-N 3.37Å; D512-K515 CarbonylContact O-C 3.51Å; D512-K515 WeakPolarHBondContact O-CB 3.21Å; D512-K515 PolarHBondContact O-N 3.44Å; D512-W516 PolarHBondContact O-N 3.13Å
513A79.5Confident75.4Confident57 Ų5782.2 Ų82.247%0.47141%0.41SS..Hα-helixtrans-58.1-37178.400000112.5Q510 R517Q510-A513 PolarHBondContact O-N 3.24Å; A513-R517 WeakPolarHBondContact O-CB 3.43Å; A513-R517 PolarHBondContact O-N 3.39Å
514V82.3Confident76.3Confident65 Ų6581.9 Ų81.939%0.39441%0.411SS..Hα-helixtrans-68.4-45.2175.1-178.80000110.9S511 D512 W516 R517 L518 L614 V618S511-V514 PolarHBondContact O-N 3.44Å; D512-V514 PolarHBondContact O-N 3.37Å; V514-W516 VanDerWaalsContact C-N 3.34Å; V514-W516 PolarHBondContact O-N 3.01Å; V514-R517 PolarHBondContact O-N 3.06Å; V514-L518 WeakPolarHBondContact O-CB 3.49Å; V514-L518 PolarHBondContact O-N 3.29Å; V514-L614 HydrophobicContact CB-CD2 4.14Å; V514-L614 HydrophobicContact CG1-CD2 3.97Å; V514-L614 HydrophobicContact CG1-CG 4.24Å; V514-V618 HydrophobicContact CG1-CG2 4.01Å
515K82.2Confident77.6Confident27 Ų2776.5 Ų76.512%0.11739%0.388CS..Hα-helixtrans-59.2-42.9174.8-67.6171.1-173.7170.40111.7S511 D512 R519 F594 L614S511-K515 WeakPolarHBondContact O-CG 2.9Å; S511-K515 PolarHBondContact O-N 2.79Å; S511-K515 VanDerWaalsContact O-N 3.11Å; D512-K515 CarbonylContact O-C 3.51Å; D512-K515 WeakPolarHBondContact O-CB 3.21Å; D512-K515 PolarHBondContact O-N 3.44Å; K515-R519 VanDerWaalsContact O-CB 3.28Å; K515-R519 WeakPolarHBondContact O-CB 3.34Å; K515-R519 PolarHBondContact O-N 2.9Å; K515-F594 HydrophobicContact CB-CE2 4.25Å; K515-F594 HydrophobicContact CB-CZ 4.33Å; K515-F594 HydrophobicContact CG-CE2 4.39Å; K515-F594 WeakPolarHBondContact O-CZ 3.49Å; K515-L614 HydrophobicContact CG-CD1 3.88Å; K515-L614 HydrophobicContact CG-CD2 3.72Å; K515-L614 HydrophobicContact CG-CG 4.48Å
516W82.3Confident79.4Confident64 Ų6467.7 Ų67.724%0.24235%0.347CS..Hα-helixtrans-61-46.5176.3-77.7108000111.8W497 Q500 K504 D512 V514 R519 N520W497-W516 AromaticContact CD1-CH2 3.93Å; W497-W516 AromaticContact CD1-CZ3 3.57Å; W497-W516 AromaticContact NE1-CZ3 3.73Å; Q500-W516 HydrophobicContact CB-CH2 3.95Å; Q500-W516 HydrophobicContact CB-CZ2 3.73Å; K504-W516 HydrophobicContact CG-CZ2 4.5Å; D512-W516 PolarHBondContact O-N 3.13Å; V514-W516 VanDerWaalsContact C-N 3.34Å; V514-W516 PolarHBondContact O-N 3.01Å; W516-R519 PolarHBondContact O-N 3.23Å; W516-N520 WeakPolarHBondContact O-CB 3.43Å; W516-N520 PolarHBondContact O-N 3.33Å; W516-N520 PolarHBondContact O-ND2 3.28Å
517R84.8Confident80.9Confident192 Ų19265 Ų6573%0.72533%0.333SS*.Hα-helixtrans-65-46.1179.5-170.1-178.6-61.1170.11.7112A513 V514 N520 H521A513-R517 WeakPolarHBondContact O-CB 3.43Å; A513-R517 PolarHBondContact O-N 3.39Å; V514-R517 PolarHBondContact O-N 3.06Å; R517-N520 PolarHBondContact O-N 2.86Å; R517-H521 PolarHBondContact O-N 2.7Å; R517-H521 VanDerWaalsContact O-N 3.11Å
518L86.3Confident82.4Confident10 Ų1056.1 Ų56.15%0.05230%0.296CS..Hα-helixtrans-61.3-46.2177.9-177.461.5000110.8V514 N520 H521 M522 F594 L614 L617 V618 F621V514-L518 WeakPolarHBondContact O-CB 3.49Å; V514-L518 PolarHBondContact O-N 3.29Å; L518-N520 PolarHBondContact O-N 3.35Å; L518-H521 PolarHBondContact O-N 3.33Å; L518-M522 HydrophobicContact CD1-CE 3.89Å; L518-M522 HydrophobicContact CD1-CG 4.39Å; L518-M522 HydrophobicContact CD1-SD 4.37Å; L518-M522 HydrophobicContact CD2-CE 3.92Å; L518-M522 HydrophobicContact CD2-SD 4.39Å; L518-M522 HydrophobicContact CG-CE 3.83Å; L518-M522 HydrophobicContact CG-CG 4.41Å; L518-M522 HydrophobicContact CG-SD 3.92Å; L518-M522 WeakPolarHBondContact O-CG 3.48Å; L518-M522 PolarHBondContact O-N 3.24Å; L518-F594 HydrophobicContact CB-CE2 4.49Å; L518-F594 HydrophobicContact CD2-CD2 3.69Å; L518-F594 HydrophobicContact CD2-CE2 3.97Å; L518-F594 HydrophobicContact CD2-CG 4.45Å; L518-F594 HydrophobicContact CG-CD2 4.42Å; L518-F594 HydrophobicContact CG-CE2 4.45Å; L518-L614 HydrophobicContact CD2-CD1 4.18Å; L518-L617 HydrophobicContact CD2-CB 4.2Å; L518-V618 HydrophobicContact CB-CG2 4.4Å; L518-V618 HydrophobicContact CD1-CG2 4.23Å; L518-V618 HydrophobicContact CD2-CG2 3.83Å; L518-V618 HydrophobicContact CG-CG2 4.38Å; L518-F621 HydrophobicContact CD1-CB 4.09Å; L518-F621 HydrophobicContact CD1-CD1 4.24Å; L518-F621 HydrophobicContact CD1-CG 4.22Å
519R88.9Confident83.8Confident20 Ų2051.1 Ų51.18%0.07526%0.26CS..Hα-helixtrans-60.2-46.4178-177.6173.1159-81.3-30.2112.5L493 W497 K515 W516 H521 M522 A523 F594L493-R519 PolarHBondContact O-NE 2.89Å; L493-R519 PolarHBondContact O-NH2 3.28Å; W497-R519 VanDerWaalsContact CG-CZ 3.49Å; W497-R519 VanDerWaalsContact CG-NH1 3.31Å; K515-R519 VanDerWaalsContact O-CB 3.28Å; K515-R519 WeakPolarHBondContact O-CB 3.34Å; K515-R519 PolarHBondContact O-N 2.9Å; W516-R519 PolarHBondContact O-N 3.23Å; R519-H521 PolarHBondContact O-N 3.37Å; R519-M522 PolarHBondContact O-N 3.4Å; R519-A523 VanDerWaalsContact O-CB 3.3Å; R519-A523 WeakPolarHBondContact O-CB 3.28Å; R519-A523 PolarHBondContact O-N 3.37Å; R519-F594 HydrophobicContact CB-CE1 3.68Å; R519-F594 HydrophobicContact CB-CZ 3.78Å; R519-F594 HydrophobicContact CG-CE1 4.03Å
520N87.2Confident84.9Confident95 Ų9549.7 Ų49.751%0.50825%0.247SC..Hα-helixtrans-60.4-37.8178.3-75.9-24.4000111.3W516 R517 L518 F524W516-N520 WeakPolarHBondContact O-CB 3.43Å; W516-N520 PolarHBondContact O-N 3.33Å; W516-N520 PolarHBondContact O-ND2 3.28Å; R517-N520 PolarHBondContact O-N 2.86Å; L518-N520 PolarHBondContact O-N 3.35Å; N520-F524 WeakPolarHBondContact O-CB 3.41Å; N520-F524 PolarHBondContact O-N 2.64Å
521H86.8Confident85.9Confident33 Ų3346.1 Ų46.115%0.15323%0.227CC..Hα-helixtrans-69.9-43177-166.348.5000112.5R517 L518 R519 L525 F621 Y656 Y657R517-H521 PolarHBondContact O-N 2.7Å; R517-H521 VanDerWaalsContact O-N 3.11Å; L518-H521 PolarHBondContact O-N 3.33Å; R519-H521 PolarHBondContact O-N 3.37Å; H521-L525 PolarHBondContact O-N 2.93Å; H521-F621 AromaticContact CD2-CD1 3.6Å; H521-F621 AromaticContact CD2-CE1 3.25Å; H521-F621 WeakPolarHBondContact CD2-CE1 3.35Å; H521-F621 AromaticContact CG-CE1 3.97Å; H521-F621 AromaticContact NE2-CE1 3.77Å; H521-Y656 AromaticContact CE1-CD1 3.84Å; H521-Y656 AromaticContact CE1-CE1 3.45Å; H521-Y656 VanDerWaalsContact CE1-CE1 3.45Å; H521-Y656 WeakPolarHBondContact CE1-CE1 3.38Å; H521-Y656 AromaticContact NE2-CE1 3.76Å; H521-Y657 AromaticContact CE1-CZ 3.66Å; H521-Y657 PolarHBondContact CE1-OH 3.29Å; H521-Y657 PolarHBondContact NE2-OH 3.13Å
522M91.1Very high86.8Confident0 Ų044.6 Ų44.60%022%0.216CC..Hα-helixtrans-60.5-51.2173.6-73.8175.1163.400111.8L493 L518 R519 L525 I526 F594 F621L493-M522 HydrophobicContact CD1-CB 4.09Å; L493-M522 HydrophobicContact CD2-CB 4.19Å; L493-M522 HydrophobicContact CD2-SD 4.39Å; L518-M522 HydrophobicContact CD1-CE 3.89Å; L518-M522 HydrophobicContact CD1-CG 4.39Å; L518-M522 HydrophobicContact CD1-SD 4.37Å; L518-M522 HydrophobicContact CD2-CE 3.92Å; L518-M522 HydrophobicContact CD2-SD 4.39Å; L518-M522 HydrophobicContact CG-CE 3.83Å; L518-M522 HydrophobicContact CG-CG 4.41Å; L518-M522 HydrophobicContact CG-SD 3.92Å; L518-M522 WeakPolarHBondContact O-CG 3.48Å; L518-M522 PolarHBondContact O-N 3.24Å; R519-M522 PolarHBondContact O-N 3.4Å; M522-L525 PolarHBondContact O-N 3.02Å; M522-I526 WeakPolarHBondContact O-CG1 3.46Å; M522-I526 PolarHBondContact O-N 2.93Å; M522-F594 HydrophobicContact CE-CB 4Å; M522-F594 HydrophobicContact CE-CG 4.37Å; M522-F594 HydrophobicContact SD-CB 3.9Å; M522-F594 HydrophobicContact SD-CD1 3.87Å; M522-F594 HydrophobicContact SD-CG 3.83Å; M522-F621 HydrophobicContact CB-CE2 4.2Å; M522-F621 HydrophobicContact CB-CZ 4.19Å; M522-F621 HydrophobicContact CE-CB 4.05Å; M522-F621 HydrophobicContact CE-CD2 3.51Å; M522-F621 HydrophobicContact CE-CE2 4.17Å; M522-F621 HydrophobicContact CE-CG 3.87Å; M522-F621 HydrophobicContact CG-CD1 4.39Å; M522-F621 HydrophobicContact CG-CD2 3.7Å; M522-F621 HydrophobicContact CG-CE1 4.17Å; M522-F621 HydrophobicContact CG-CE2 3.42Å; M522-F621 VanDerWaalsContact CG-CE2 3.42Å; M522-F621 HydrophobicContact CG-CG 4.17Å; M522-F621 HydrophobicContact CG-CZ 3.67Å; M522-F621 HydrophobicContact SD-CD2 4.47Å
523A89.6Confident87.4Confident14 Ų1442.5 Ų42.512%0.11621%0.205CC..Hα-helixtrans-60.8-46.7178.900000111.2R519 L525 I526 D527R519-A523 VanDerWaalsContact O-CB 3.3Å; R519-A523 WeakPolarHBondContact O-CB 3.28Å; R519-A523 PolarHBondContact O-N 3.37Å; A523-L525 VanDerWaalsContact C-N 3.32Å; A523-L525 PolarHBondContact O-N 3.13Å; A523-I526 PolarHBondContact O-N 2.88Å; A523-D527 VanDerWaalsContact O-CB 3.27Å; A523-D527 WeakPolarHBondContact O-CB 3.41Å; A523-D527 PolarHBondContact O-N 3.27Å
524F89.7Confident87.9Confident70 Ų7042.7 Ų42.731%0.30720%0.196SC..Hα-helixtrans-55.1-46.2175.6174.4-96.5000112.4N520 N528N520-F524 WeakPolarHBondContact O-CB 3.41Å; N520-F524 PolarHBondContact O-N 2.64Å; F524-N528 WeakPolarHBondContact CD2-ND2 3.45Å; F524-N528 WeakPolarHBondContact CE2-ND2 3.38Å; F524-N528 WeakPolarHBondContact CZ-ND2 3.33Å; F524-N528 WeakPolarHBondContact O-CB 3.39Å; F524-N528 PolarHBondContact O-N 3.24Å; F524-N528 VanDerWaalsContact O-N 3.12Å; F524-N528 PolarHBondContact O-ND2 3.36Å
525L89.7Confident88.1Confident4 Ų442.3 Ų42.32%0.02119%0.194CC..Hα-helixtrans-64.4-47.3179.1179.861.4000111.7H521 M522 A523 N528 L529 I587 F621 L628 L651H521-L525 PolarHBondContact O-N 2.93Å; M522-L525 PolarHBondContact O-N 3.02Å; A523-L525 VanDerWaalsContact C-N 3.32Å; A523-L525 PolarHBondContact O-N 3.13Å; L525-N528 PolarHBondContact O-N 2.88Å; L525-L529 VanDerWaalsContact O-CB 3.32Å; L525-L529 WeakPolarHBondContact O-CB 3.47Å; L525-L529 PolarHBondContact O-N 3.23Å; L525-I587 HydrophobicContact CD2-CD1 4.12Å; L525-I587 HydrophobicContact CD2-CG2 3.97Å; L525-F621 HydrophobicContact CB-CZ 4.24Å; L525-F621 HydrophobicContact CD2-CE1 4.33Å; L525-F621 HydrophobicContact CD2-CE2 4.18Å; L525-F621 HydrophobicContact CD2-CZ 3.56Å; L525-L628 HydrophobicContact CD1-CD2 4.38Å; L525-L651 HydrophobicContact CD1-CD2 3.55Å
526I91.7Very high88.3Confident1 Ų142 Ų421%0.00519%0.193CC..Hα-helixtrans-68.3-40-177.9-63.6-57.9000111.6V486 V489 Q490 L493 M522 A523 L529 Q530 I587 L588V486-I526 HydrophobicContact CG1-CG2 4.22Å; V489-I526 HydrophobicContact CG1-CG1 4.36Å; Q490-I526 HydrophobicContact CB-CG2 3.88Å; Q490-I526 HydrophobicContact CG-CG2 4.37Å; L493-I526 HydrophobicContact CD1-CG1 4.17Å; M522-I526 WeakPolarHBondContact O-CG1 3.46Å; M522-I526 PolarHBondContact O-N 2.93Å; A523-I526 PolarHBondContact O-N 2.88Å; I526-L529 PolarHBondContact O-N 3.23Å; I526-Q530 VanDerWaalsContact O-CB 3.25Å; I526-Q530 WeakPolarHBondContact O-CB 3.45Å; I526-Q530 PolarHBondContact O-N 3.34Å; I526-I587 HydrophobicContact CD1-CG2 4.18Å; I526-L588 HydrophobicContact CD1-CD2 3.7Å
527D90.3Very high88.7Confident70 Ų7039 Ų3937%0.37418%0.182SC..Hα-helixtrans-64.9-42.3177.5-68.9-28.9000111.2Q490 A523 Q530 Y531Q490-D527 PolarHBondContact NE2-OD1 3.17Å; A523-D527 VanDerWaalsContact O-CB 3.27Å; A523-D527 WeakPolarHBondContact O-CB 3.41Å; A523-D527 PolarHBondContact O-N 3.27Å; D527-Q530 PolarHBondContact O-N 2.92Å; D527-Y531 WeakPolarHBondContact O-CB 3.42Å; D527-Y531 PolarHBondContact O-N 3.24Å
528N88.4Confident88.9Confident28 Ų2830.1 Ų30.115%0.1515%0.149CC..Hα-helixtrans-68.6-38.7175.8-81.2-81.9000112.6F524 L525 Y531 Y532 L651F524-N528 WeakPolarHBondContact CD2-ND2 3.45Å; F524-N528 WeakPolarHBondContact CE2-ND2 3.38Å; F524-N528 WeakPolarHBondContact CZ-ND2 3.33Å; F524-N528 WeakPolarHBondContact O-CB 3.39Å; F524-N528 PolarHBondContact O-N 3.24Å; F524-N528 VanDerWaalsContact O-N 3.12Å; F524-N528 PolarHBondContact O-ND2 3.36Å; L525-N528 PolarHBondContact O-N 2.88Å; N528-Y531 PolarHBondContact O-N 2.88Å; N528-Y532 WeakPolarHBondContact O-CB 3.44Å; N528-Y532 PolarHBondContact O-N 3.33Å; N528-L651 HydrophobicContact CB-CD2 3.84Å
529L88.8Confident89.2Confident8 Ų833.5 Ų33.54%0.04216%0.164CC..Hα-helixtrans-62.3-46.7174.8177.764.3000110.7L525 I526 Y531 Y532 L533 L584L525-L529 VanDerWaalsContact O-CB 3.32Å; L525-L529 WeakPolarHBondContact O-CB 3.47Å; L525-L529 PolarHBondContact O-N 3.23Å; I526-L529 PolarHBondContact O-N 3.23Å; L529-Y531 VanDerWaalsContact C-N 3.34Å; L529-Y531 PolarHBondContact O-N 2.89Å; L529-Y532 PolarHBondContact O-N 2.94Å; L529-L533 HydrophobicContact CD1-CD1 4.21Å; L529-L533 HydrophobicContact CD1-CG 4.35Å; L529-L533 HydrophobicContact CG-CD1 4.04Å; L529-L533 VanDerWaalsContact O-CG 3.28Å; L529-L533 WeakPolarHBondContact O-CG 3.49Å; L529-L533 PolarHBondContact O-N 3.39Å; L529-L584 HydrophobicContact CD1-CD2 4.42Å; L529-L584 HydrophobicContact CD2-CD2 3.83Å
530Q89.6Confident89.2Confident25 Ų2534.4 Ų34.412%0.11717%0.174CC..Hα-helixtrans-64-40.2179.4-173.1-89.6-0.800111.5V486 I526 D527 L533 Q534V486-Q530 HydrophobicContact CG1-CB 4.17Å; I526-Q530 VanDerWaalsContact O-CB 3.25Å; I526-Q530 WeakPolarHBondContact O-CB 3.45Å; I526-Q530 PolarHBondContact O-N 3.34Å; D527-Q530 PolarHBondContact O-N 2.92Å; Q530-L533 PolarHBondContact O-N 3.5Å; Q530-Q534 WeakPolarHBondContact O-CB 3.35Å; Q530-Q534 WeakPolarHBondContact O-CG 3.27Å; Q530-Q534 PolarHBondContact O-N 3.23Å
531Y88.9Confident89.4Confident106 Ų10630.3 Ų30.342%0.41615%0.152SC..Hα-helixtrans-64.4-43.2175.6-178.3-106000112.5D527 N528 L529 Q534 V535D527-Y531 WeakPolarHBondContact O-CB 3.42Å; D527-Y531 PolarHBondContact O-N 3.24Å; N528-Y531 PolarHBondContact O-N 2.88Å; L529-Y531 VanDerWaalsContact C-N 3.34Å; L529-Y531 PolarHBondContact O-N 2.89Å; Y531-Q534 PolarHBondContact O-N 3.47Å; Y531-V535 HydrophobicContact CD2-CB 4.43Å; Y531-V535 HydrophobicContact CD2-CG2 3.75Å; Y531-V535 HydrophobicContact CE2-CB 4.08Å; Y531-V535 HydrophobicContact CE2-CG1 4.44Å; Y531-V535 HydrophobicContact CE2-CG2 3.48Å; Y531-V535 VanDerWaalsContact CE2-CG2 3.48Å; Y531-V535 WeakPolarHBondContact O-CB 3.48Å; Y531-V535 PolarHBondContact O-N 3.08Å
532Y88.9Confident89.8Confident1 Ų129.2 Ų29.20%0.00415%0.147CC..Iπ-helixtrans-59.7-49.8174168.1-102.2000112.1N528 L529 Q534 D536 V537 Q572 F574 D643 L647N528-Y532 WeakPolarHBondContact O-CB 3.44Å; N528-Y532 PolarHBondContact O-N 3.33Å; L529-Y532 PolarHBondContact O-N 2.94Å; Y532-Q534 VanDerWaalsContact C-N 3.35Å; Y532-Q534 PolarHBondContact O-N 3.25Å; Y532-D536 HydrophobicContact CD2-CB 3.86Å; Y532-D536 WeakPolarHBondContact CD2-OD2 3.46Å; Y532-D536 HydrophobicContact CE2-CB 4.17Å; Y532-D536 PolarHBondContact O-N 3.46Å; Y532-D536 VanDerWaalsContact O-N 3.11Å; Y532-V537 HydrophobicContact CD1-CG2 4.19Å; Y532-V537 HydrophobicContact CE1-CG2 3.64Å; Y532-V537 HydrophobicContact CE2-CG2 4.02Å; Y532-V537 PolarHBondContact O-N 2.82Å; Y532-V537 VanDerWaalsContact O-N 3.12Å; Y532-Q572 PolarHBondContact OH-O 3.4Å; Y532-F574 HydrophobicContact CD1-CE2 4.17Å; Y532-F574 HydrophobicContact CE1-CD2 4.48Å; Y532-F574 AromaticContact CE1-CE2 3.51Å; Y532-F574 HydrophobicContact CE1-CE2 3.51Å; Y532-F574 AromaticContact CE1-CZ 3.66Å; Y532-F574 HydrophobicContact CE1-CZ 3.66Å; Y532-F574 AromaticContact CZ-CZ 3.94Å; Y532-D643 HydrophobicContact CE2-CB 4.11Å; Y532-D643 WeakPolarHBondContact CE2-O 3.32Å; Y532-L647 HydrophobicContact CD1-CD1 4.49Å; Y532-L647 HydrophobicContact CD1-CD2 3.78Å; Y532-L647 HydrophobicContact CD2-CB 3.62Å; Y532-L647 HydrophobicContact CD2-CD1 4.41Å; Y532-L647 HydrophobicContact CD2-CD2 4.21Å; Y532-L647 HydrophobicContact CD2-CG 4.27Å; Y532-L647 HydrophobicContact CE1-CD2 3.96Å; Y532-L647 HydrophobicContact CE2-CB 3.95Å; Y532-L647 HydrophobicContact CE2-CD2 4.39Å; Y532-L647 HydrophobicContact CG-CB 4.02Å; Y532-L647 HydrophobicContact CG-CD1 3.96Å; Y532-L647 HydrophobicContact CG-CD2 3.9Å; Y532-L647 HydrophobicContact CG-CG 4.16Å
533L88.9Confident89.9Confident2 Ų232.2 Ų32.21%0.0117%0.165CC..Iπ-helixtrans-59.1-47.4179.5-69.5171.3000110.5Y482 L483 V486 L529 Q530 V537 L538Y482-L533 HydrophobicContact CE1-CD1 3.86Å; Y482-L533 HydrophobicContact CE1-CD2 4.32Å; L483-L533 HydrophobicContact CD2-CB 4.26Å; L483-L533 HydrophobicContact CD2-CD1 4.23Å; V486-L533 HydrophobicContact CG2-CD1 4.49Å; L529-L533 HydrophobicContact CD1-CD1 4.21Å; L529-L533 HydrophobicContact CD1-CG 4.35Å; L529-L533 HydrophobicContact CG-CD1 4.04Å; L529-L533 VanDerWaalsContact O-CG 3.28Å; L529-L533 WeakPolarHBondContact O-CG 3.49Å; L529-L533 PolarHBondContact O-N 3.39Å; Q530-L533 PolarHBondContact O-N 3.5Å; L533-V537 WeakPolarHBondContact O-CB 3.38Å; L533-L538 WeakPolarHBondContact O-CB 3.3Å; L533-L538 WeakPolarHBondContact O-CG 3.37Å; L533-L538 PolarHBondContact O-N 3.03Å
534Q89.3Confident90Very high61 Ų6135.5 Ų35.529%0.28518%0.178SC..Iπ-helixtrans-73.2-51.1-176.9-70.2-170.2-18.300113.8Q530 Y531 Y532 L538 E539Q530-Q534 WeakPolarHBondContact O-CB 3.35Å; Q530-Q534 WeakPolarHBondContact O-CG 3.27Å; Q530-Q534 PolarHBondContact O-N 3.23Å; Y531-Q534 PolarHBondContact O-N 3.47Å; Y532-Q534 VanDerWaalsContact C-N 3.35Å; Y532-Q534 PolarHBondContact O-N 3.25Å; Q534-L538 HydrophobicContact CG-CD1 4.44Å; Q534-L538 WeakPolarHBondContact O-CB 3.37Å; Q534-E539 WeakPolarHBondContact O-CG 3.44Å; Q534-E539 PolarHBondContact O-N 3.33Å
535V87.6Confident90.2Very high58 Ų5832.4 Ų32.435%0.35217%0.165SC..Iπ-helixtrans-88.6-51.4-168.7-179.70000111.9Y531Y531-V535 HydrophobicContact CD2-CB 4.43Å; Y531-V535 HydrophobicContact CD2-CG2 3.75Å; Y531-V535 HydrophobicContact CE2-CB 4.08Å; Y531-V535 HydrophobicContact CE2-CG1 4.44Å; Y531-V535 HydrophobicContact CE2-CG2 3.48Å; Y531-V535 VanDerWaalsContact CE2-CG2 3.48Å; Y531-V535 WeakPolarHBondContact O-CB 3.48Å; Y531-V535 PolarHBondContact O-N 3.08Å
536D86.5Confident90.4Very high20 Ų2034 Ų3411%0.10717%0.173CC..Iπ-helixtrans-78.6-32.5-173.1-53.1-38.5000111.7Y532 S540 D643 R650Y532-D536 HydrophobicContact CD2-CB 3.86Å; Y532-D536 WeakPolarHBondContact CD2-OD2 3.46Å; Y532-D536 HydrophobicContact CE2-CB 4.17Å; Y532-D536 PolarHBondContact O-N 3.46Å; Y532-D536 VanDerWaalsContact O-N 3.11Å; D536-S540 WeakPolarHBondContact O-CB 3.06Å; D536-D643 HydrophobicContact CB-CB 4.47Å; D536-R650 IonicContact OD1-CZ 2.89Å; D536-R650 IonicContact OD1-NH1 3.23Å; D536-R650 PolarHBondContact OD1-NH1 3.15Å; D536-R650 IonicContact OD1-NH2 2.74Å; D536-R650 PolarHBondContact OD1-NH2 2.94Å; D536-R650 IonicContact OD2-CZ 3.27Å; D536-R650 VanDerWaalsContact OD2-CZ 3.23Å; D536-R650 IonicContact OD2-NH1 2.71Å; D536-R650 PolarHBondContact OD2-NH1 3.38Å; D536-R650 IonicContact OD2-NH2 3.58Å; D536-R650 PolarHBondContact OD2-NH2 3.12Å
537V89.2Confident90.5Very high0 Ų039.7 Ų39.70%020%0.199CC..Iπ-helixtrans-96.1-67.7-180-179.70000111.2Y532 L533 Q541 Q572Y532-V537 HydrophobicContact CD1-CG2 4.19Å; Y532-V537 HydrophobicContact CE1-CG2 3.64Å; Y532-V537 HydrophobicContact CE2-CG2 4.02Å; Y532-V537 PolarHBondContact O-N 2.82Å; Y532-V537 VanDerWaalsContact O-N 3.12Å; L533-V537 WeakPolarHBondContact O-CB 3.38Å; V537-Q541 VanDerWaalsContact O-CB 3.23Å; V537-Q541 WeakPolarHBondContact O-CB 3.38Å; V537-Q541 VanDerWaalsContact O-CG 3.22Å; V537-Q541 WeakPolarHBondContact O-CG 3.14Å; V537-Q541 PolarHBondContact O-N 3.35Å; V537-Q572 HydrophobicContact CB-CB 4.5Å; V537-Q572 HydrophobicContact CG1-CB 3.72Å; V537-Q572 HydrophobicContact CG2-CB 3.96Å
538L90.6Very high90.6Very high7 Ų741.4 Ų41.44%0.03721%0.205CC..Iπ-helixtrans-64.7-52.7-169.5-64.3173.3000112.8L362 L483 L533 Q534 F542 L569L362-L538 HydrophobicContact CB-CD1 4.3Å; L362-L538 HydrophobicContact CB-CD2 4.33Å; L362-L538 HydrophobicContact CD1-CD2 4.13Å; L362-L538 HydrophobicContact CD2-CD2 3.98Å; L362-L538 HydrophobicContact CG-CD2 4.37Å; L483-L538 HydrophobicContact CD1-CD1 3.82Å; L483-L538 HydrophobicContact CD2-CD1 4.17Å; L533-L538 WeakPolarHBondContact O-CB 3.3Å; L533-L538 WeakPolarHBondContact O-CG 3.37Å; L533-L538 PolarHBondContact O-N 3.03Å; Q534-L538 HydrophobicContact CG-CD1 4.44Å; Q534-L538 WeakPolarHBondContact O-CB 3.37Å; L538-F542 WeakPolarHBondContact O-CB 3.3Å; L538-F542 PolarHBondContact O-N 3.13Å; L538-L569 HydrophobicContact CD2-CD1 3.29Å; L538-L569 HydrophobicContact CD2-CD2 4.22Å; L538-L569 HydrophobicContact CD2-CG 3.71Å
539E90.9Very high90.7Very high80 Ų8040.1 Ų40.137%0.37420%0.198SC..Iπ-helixtrans-66.7-40.5-178.8-70-57.9151.800112.8K358 Q534 T543K358-E539 WeakPolarHBondContact CE-OE1 3.36Å; K358-E539 IonicContact NZ-OE1 3.54Å; K358-E539 PolarHBondContact NZ-OE1 3.42Å; K358-E539 IonicContact NZ-OE2 3.32Å; K358-E539 PolarHBondContact NZ-OE2 3.4Å; Q534-E539 WeakPolarHBondContact O-CG 3.44Å; Q534-E539 PolarHBondContact O-N 3.33Å; E539-T543 WeakPolarHBondContact O-CB 3.48Å; E539-T543 PolarHBondContact O-N 3.22Å; E539-T543 PolarHBondContact O-OG1 2.81Å
540S90.5Very high90.8Very high40 Ų4044.5 Ų44.528%0.2822%0.222SC..Hα-helixtrans-61.3-53.9176.6-177.30000111.3D536 F542 T543 Q544D536-S540 WeakPolarHBondContact O-CB 3.06Å; S540-F542 VanDerWaalsContact C-N 3.33Å; S540-F542 PolarHBondContact O-N 3.34Å; S540-T543 PolarHBondContact O-N 3.08Å; S540-Q544 WeakPolarHBondContact O-CG 3.37Å; S540-Q544 PolarHBondContact O-N 3.31Å; S540-Q544 VanDerWaalsContact O-N 3.09Å; S540-Q544 PolarHBondContact OG-NE2 3.33Å
541Q91.4Very high90.9Very high8 Ų847.4 Ų47.44%0.03725%0.245CC..Hα-helixtrans-65-37.4-178.7-68.5-56118.100111.7V537 Q544 L545 F565 N568V537-Q541 VanDerWaalsContact O-CB 3.23Å; V537-Q541 WeakPolarHBondContact O-CB 3.38Å; V537-Q541 VanDerWaalsContact O-CG 3.22Å; V537-Q541 WeakPolarHBondContact O-CG 3.14Å; V537-Q541 PolarHBondContact O-N 3.35Å; Q541-Q544 PolarHBondContact O-N 3.36Å; Q541-Q544 VanDerWaalsContact OE1-NE2 3.15Å; Q541-L545 PolarHBondContact O-N 2.91Å; Q541-F565 HydrophobicContact CB-CD2 3.7Å; Q541-F565 HydrophobicContact CB-CE2 3.67Å; Q541-F565 WeakPolarHBondContact O-CD2 3.39Å; Q541-N568 PolarHBondContact NE2-ND2 2.96Å; Q541-N568 VanDerWaalsContact NE2-ND2 3.19Å
542F94.2Very high91Very high10 Ų1043.9 Ų43.94%0.04423%0.234CC..Hα-helixtrans-68.9-37.6178.5-171.6-103.5000112L354 K355 K358 L538 S540 L545 L546 F565L354-F542 HydrophobicContact CB-CE2 4.38Å; K355-F542 HydrophobicContact CG-CE1 4.48Å; K355-F542 HydrophobicContact CG-CZ 4.2Å; K358-F542 HydrophobicContact CB-CD2 4.36Å; K358-F542 HydrophobicContact CB-CE2 3.89Å; K358-F542 HydrophobicContact CB-CZ 4.1Å; K358-F542 HydrophobicContact CD-CD1 3.62Å; K358-F542 HydrophobicContact CD-CD2 4.01Å; K358-F542 HydrophobicContact CD-CE1 3.54Å; K358-F542 HydrophobicContact CD-CE2 3.98Å; K358-F542 HydrophobicContact CD-CG 3.83Å; K358-F542 HydrophobicContact CD-CZ 3.74Å; K358-F542 HydrophobicContact CG-CD2 4.43Å; K358-F542 HydrophobicContact CG-CE2 4.37Å; K358-F542 HydrophobicContact CG-CZ 4.5Å; L538-F542 WeakPolarHBondContact O-CB 3.3Å; L538-F542 PolarHBondContact O-N 3.13Å; S540-F542 VanDerWaalsContact C-N 3.33Å; S540-F542 PolarHBondContact O-N 3.34Å; F542-L545 PolarHBondContact O-N 3.18Å; F542-L546 HydrophobicContact CD1-CD1 3.73Å; F542-L546 HydrophobicContact CD1-CG 4.18Å; F542-L546 HydrophobicContact CE1-CD1 3.44Å; F542-L546 VanDerWaalsContact CE1-CD1 3.44Å; F542-L546 HydrophobicContact CE1-CD2 4.34Å; F542-L546 HydrophobicContact CE1-CG 3.93Å; F542-L546 HydrophobicContact CZ-CD1 4.23Å; F542-L546 HydrophobicContact CZ-CD2 4.34Å; F542-L546 HydrophobicContact CZ-CG 4.3Å; F542-L546 WeakPolarHBondContact O-CG 3.4Å; F542-L546 PolarHBondContact O-N 2.86Å; F542-F565 HydrophobicContact CB-CE2 4.13Å; F542-F565 HydrophobicContact CD2-CE2 4.48Å; F542-F565 HydrophobicContact CD2-CZ 4.22Å
543T93.4Very high91Very high64 Ų6449.8 Ų49.839%0.39326%0.257SS..Hα-helixtrans-63.5-42.4174.7-59.60000111.3E539 S540 L546 Q547E539-T543 WeakPolarHBondContact O-CB 3.48Å; E539-T543 PolarHBondContact O-N 3.22Å; E539-T543 PolarHBondContact O-OG1 2.81Å; S540-T543 PolarHBondContact O-N 3.08Å; T543-L546 PolarHBondContact O-N 3.44Å; T543-Q547 WeakPolarHBondContact O-CG 3.31Å; T543-Q547 PolarHBondContact O-N 3.22Å
544Q92.5Very high91.1Very high82 Ų8251.2 Ų51.238%0.38327%0.265SS..Hα-helixtrans-61-44.6175-67.4169.338.700111.5S540 Q541 L546 Q547 Q548S540-Q544 WeakPolarHBondContact O-CG 3.37Å; S540-Q544 PolarHBondContact O-N 3.31Å; S540-Q544 VanDerWaalsContact O-N 3.09Å; S540-Q544 PolarHBondContact OG-NE2 3.33Å; Q541-Q544 PolarHBondContact O-N 3.36Å; Q541-Q544 VanDerWaalsContact OE1-NE2 3.15Å; Q544-L546 PolarHBondContact O-N 3.15Å; Q544-Q547 PolarHBondContact O-N 3.31Å; Q544-Q548 WeakPolarHBondContact O-CG 3.35Å; Q544-Q548 PolarHBondContact O-N 2.94Å
545L94.1Very high91Very high5 Ų548.3 Ų48.33%0.02625%0.251CS..Hα-helixtrans-58.2-49.7175.9176.763.9000111.4L354 Q541 F542 Q547 Q548 I549 A561 H562 F565L354-L545 HydrophobicContact CD2-CD2 4.39Å; Q541-L545 PolarHBondContact O-N 2.91Å; F542-L545 PolarHBondContact O-N 3.18Å; L545-Q547 VanDerWaalsContact C-N 3.29Å; L545-Q547 PolarHBondContact O-N 2.99Å; L545-Q548 PolarHBondContact O-N 3.41Å; L545-I549 HydrophobicContact CD1-CD1 3.81Å; L545-I549 HydrophobicContact CD1-CG1 4.14Å; L545-I549 HydrophobicContact CD2-CD1 4.46Å; L545-I549 HydrophobicContact CG-CD1 3.8Å; L545-I549 HydrophobicContact CG-CG1 4.45Å; L545-I549 VanDerWaalsContact O-CG1 3.31Å; L545-I549 WeakPolarHBondContact O-CG1 3.42Å; L545-I549 PolarHBondContact O-N 2.81Å; L545-A561 HydrophobicContact CD1-CB 4.12Å; L545-H562 HydrophobicContact CD1-CB 4.25Å; L545-F565 HydrophobicContact CB-CB 4.33Å; L545-F565 HydrophobicContact CB-CD2 4.14Å; L545-F565 HydrophobicContact CB-CG 4.27Å; L545-F565 HydrophobicContact CD1-CB 4.25Å; L545-F565 HydrophobicContact CD2-CB 4.23Å; L545-F565 HydrophobicContact CD2-CD1 3.85Å; L545-F565 HydrophobicContact CD2-CD2 4.28Å; L545-F565 HydrophobicContact CD2-CE1 4.29Å; L545-F565 HydrophobicContact CD2-CG 3.84Å
546L93.5Very high90.9Very high37 Ų3748.7 Ų48.719%0.19425%0.249CC..Hα-helixtrans-60-39.2178.5-73.3175.7000112.3L351 F542 T543 Q544 N550L351-L546 HydrophobicContact CD2-CD2 3.69Å; F542-L546 HydrophobicContact CD1-CD1 3.73Å; F542-L546 HydrophobicContact CD1-CG 4.18Å; F542-L546 HydrophobicContact CE1-CD1 3.44Å; F542-L546 VanDerWaalsContact CE1-CD1 3.44Å; F542-L546 HydrophobicContact CE1-CD2 4.34Å; F542-L546 HydrophobicContact CE1-CG 3.93Å; F542-L546 HydrophobicContact CZ-CD1 4.23Å; F542-L546 HydrophobicContact CZ-CD2 4.34Å; F542-L546 HydrophobicContact CZ-CG 4.3Å; F542-L546 WeakPolarHBondContact O-CG 3.4Å; F542-L546 PolarHBondContact O-N 2.86Å; T543-L546 PolarHBondContact O-N 3.44Å; Q544-L546 PolarHBondContact O-N 3.15Å; L546-N550 WeakPolarHBondContact O-CB 3.5Å; L546-N550 PolarHBondContact O-N 3.23Å; L546-N550 VanDerWaalsContact O-N 3.11Å; L546-N550 PolarHBondContact O-ND2 2.64Å
547Q93.2Very high91Very high121 Ų12150.1 Ų50.157%0.56526%0.261SS*.Hα-helixtrans-64.2-44.7176.7-73.9175.4-2.300111.6T543 Q544 L545 N550 S551T543-Q547 WeakPolarHBondContact O-CG 3.31Å; T543-Q547 PolarHBondContact O-N 3.22Å; Q544-Q547 PolarHBondContact O-N 3.31Å; L545-Q547 VanDerWaalsContact C-N 3.29Å; L545-Q547 PolarHBondContact O-N 2.99Å; Q547-N550 PolarHBondContact O-N 2.91Å; Q547-S551 WeakPolarHBondContact O-CB 3.35Å; Q547-S551 PolarHBondContact O-N 3.02Å; Q547-S551 PolarHBondContact O-OG 3.31Å
548Q91.8Very high91.1Very high106 Ų10650.2 Ų50.250%0.49526%0.261SS..Hα-helixtrans-65.5-38.6179.1-68.1-62.5-45.900112.9Q544 L545 N550 S551 T552 A561Q544-Q548 WeakPolarHBondContact O-CG 3.35Å; Q544-Q548 PolarHBondContact O-N 2.94Å; L545-Q548 PolarHBondContact O-N 3.41Å; Q548-N550 VanDerWaalsContact C-N 3.35Å; Q548-S551 WeakPolarHBondContact CA-OG 3.43Å; Q548-S551 PolarHBondContact O-N 3.29Å; Q548-S551 PolarHBondContact O-OG 3.17Å; Q548-S551 VanDerWaalsContact O-OG 3.08Å; Q548-T552 WeakPolarHBondContact O-CB 3.27Å; Q548-T552 PolarHBondContact O-N 2.85Å; Q548-T552 PolarHBondContact O-OG1 3.49Å; Q548-A561 HydrophobicContact CB-CB 4.12Å
549I91.1Very high91Very high1 Ų153.8 Ų53.81%0.00527%0.274CS..Hα-helixtrans-65-41.2176.5-68.1173.2000110.7V345 L351 L354 L545 I558V345-I549 HydrophobicContact CG2-CG2 4.4Å; L351-I549 HydrophobicContact CD2-CB 4.43Å; L351-I549 HydrophobicContact CD2-CG2 3.77Å; L354-I549 HydrophobicContact CD1-CD1 3.4Å; L545-I549 HydrophobicContact CD1-CD1 3.81Å; L545-I549 HydrophobicContact CD1-CG1 4.14Å; L545-I549 HydrophobicContact CD2-CD1 4.46Å; L545-I549 HydrophobicContact CG-CD1 3.8Å; L545-I549 HydrophobicContact CG-CG1 4.45Å; L545-I549 VanDerWaalsContact O-CG1 3.31Å; L545-I549 WeakPolarHBondContact O-CG1 3.42Å; L545-I549 PolarHBondContact O-N 2.81Å; I549-I558 HydrophobicContact CD1-CG2 4.36Å; I549-I558 HydrophobicContact CG1-CG1 4.18Å; I549-I558 HydrophobicContact CG1-CG2 4.12Å; I549-I558 HydrophobicContact CG2-CD1 3.91Å; I549-I558 HydrophobicContact CG2-CG1 4.36Å
550N89.9Confident90.9Very high101 Ų10155.9 Ų55.954%0.5429%0.287SS..Hα-helixtrans-76.1-23.6179.7-72.9-48.5000113.4L546 Q547 Q548L546-N550 WeakPolarHBondContact O-CB 3.5Å; L546-N550 PolarHBondContact O-N 3.23Å; L546-N550 VanDerWaalsContact O-N 3.11Å; L546-N550 PolarHBondContact O-ND2 2.64Å; Q547-N550 PolarHBondContact O-N 2.91Å; Q548-N550 VanDerWaalsContact C-N 3.35Å
551S92.8Very high91Very high85 Ų8554.8 Ų54.859%0.59428%0.28SS*.Hα-helixtrans-86.1-12.2-178.4640000114.4Q547 Q548Q547-S551 WeakPolarHBondContact O-CB 3.35Å; Q547-S551 PolarHBondContact O-N 3.02Å; Q547-S551 PolarHBondContact O-OG 3.31Å; Q548-S551 WeakPolarHBondContact CA-OG 3.43Å; Q548-S551 PolarHBondContact O-N 3.29Å; Q548-S551 PolarHBondContact O-OG 3.17Å; Q548-S551 VanDerWaalsContact O-OG 3.08Å
552T91.3Very high91.1Very high32 Ų3254.4 Ų54.420%0.19628%0.278CS..  trans-124.5143.5-167.6-43.30000110.1W341 Q548 D554 S557W341-T552 PolarHBondContact NE1-O 3.41Å; Q548-T552 WeakPolarHBondContact O-CB 3.27Å; Q548-T552 PolarHBondContact O-N 2.85Å; Q548-T552 PolarHBondContact O-OG1 3.49Å; T552-D554 HydrophobicContact CG2-CB 4.07Å; T552-S557 VanDerWaalsContact CG2-CB 3.49Å
553R89.4Confident90.8Very high125 Ų12556.6 Ų56.647%0.47229%0.29SS..  trans-110.921.2174.4-61.5-169.376.185.71.3113.2E338 W341 E346E338-R553 WeakPolarHBondContact CA-O 3.34Å; E338-R553 IonicContact OE1-NE 2.83Å; W341-R553 HydrophobicContact CD2-CB 4.47Å; W341-R553 VanDerWaalsContact CZ3-CZ 3.43Å; W341-R553 VanDerWaalsContact CZ3-NH2 3.27Å; E346-R553 IonicContact OE1-NH2 3.08Å
554D89.4Confident90.7Very high33 Ų3358.7 Ų58.718%0.17630%0.296CS..  trans-114.1122.1179.1-172.3-27.6000109R333 A337 T552 E556 S557 I558R333-D554 IonicContact CZ-OD2 3.07Å; R333-D554 IonicContact NH1-OD1 3.76Å; R333-D554 IonicContact NH1-OD2 3.5Å; R333-D554 PolarHBondContact NH1-OD2 3.19Å; R333-D554 IonicContact NH2-OD2 2.86Å; R333-D554 PolarHBondContact NH2-OD2 3.08Å; R333-D554 VanDerWaalsContact NH2-OD2 3.12Å; A337-D554 WeakPolarHBondContact CB-OD1 3.3Å; T552-D554 HydrophobicContact CG2-CB 4.07Å; D554-E556 PolarHBondContact O-N 2.7Å; D554-E556 PolarHBondContact OD1-N 3.29Å; D554-S557 WeakPolarHBondContact O-CB 3.35Å; D554-S557 PolarHBondContact O-N 3.1Å; D554-I558 PolarHBondContact O-N 2.74Å
555F87.1Confident90.7Very high0 Ų055 Ų550%028%0.279CS..Hα-helixtrans-62-38.2179.1172.2-110.2000113.3F278 A337 L340 M344 I466 S557 I558 R559F278-F555 AromaticContact CE2-CD1 4Å; F278-F555 HydrophobicContact CE2-CD1 4Å; F278-F555 HydrophobicContact CE2-CE1 4.29Å; F278-F555 HydrophobicContact CZ-CD1 4.09Å; A337-F555 PolarHBondContact O-N 2.66Å; L340-F555 HydrophobicContact CB-CB 3.81Å; L340-F555 HydrophobicContact CB-CD1 4.35Å; L340-F555 HydrophobicContact CB-CG 4.03Å; L340-F555 HydrophobicContact CD1-CD1 3.78Å; L340-F555 HydrophobicContact CD1-CE1 4.38Å; L340-F555 HydrophobicContact CD1-CG 4.31Å; M344-F555 HydrophobicContact CE-CD2 4.41Å; M344-F555 HydrophobicContact CE-CE2 3.67Å; M344-F555 HydrophobicContact CE-CZ 4.42Å; M344-F555 HydrophobicContact SD-CD2 3.42Å; M344-F555 WeakPolarHBondContact SD-CD2 3.24Å; M344-F555 HydrophobicContact SD-CE2 3.06Å; M344-F555 WeakPolarHBondContact SD-CE2 3.4Å; M344-F555 HydrophobicContact SD-CG 4.43Å; M344-F555 HydrophobicContact SD-CZ 3.79Å; I466-F555 HydrophobicContact CB-CZ 4.3Å; I466-F555 HydrophobicContact CG2-CE1 3.73Å; I466-F555 HydrophobicContact CG2-CZ 3.58Å; F555-S557 PolarHBondContact O-N 3.1Å; F555-I558 WeakPolarHBondContact O-CB 3.31Å; F555-I558 PolarHBondContact O-N 3.4Å; F555-R559 PolarHBondContact O-N 3.38Å
556E85.9Confident90.6Very high65 Ų6555 Ų5530%0.30428%0.278SS..Hα-helixtrans-64.9-33.7179.9-67.6-178.873.500110.9F278 R333 D554 R559 L560F278-E556 HydrophobicContact CD1-CG 4.38Å; F278-E556 HydrophobicContact CD2-CG 4.25Å; F278-E556 HydrophobicContact CE1-CG 3.94Å; F278-E556 WeakPolarHBondContact CE1-OE2 3.32Å; F278-E556 HydrophobicContact CE2-CG 3.8Å; F278-E556 HydrophobicContact CZ-CG 3.63Å; R333-E556 WeakPolarHBondContact CD-OE2 3.38Å; R333-E556 IonicContact CZ-OE2 3.31Å; R333-E556 IonicContact NE-OE2 3.82Å; R333-E556 IonicContact NH1-OE2 2.59Å; R333-E556 PolarHBondContact NH1-OE2 3.38Å; D554-E556 PolarHBondContact O-N 2.7Å; D554-E556 PolarHBondContact OD1-N 3.29Å; E556-R559 PolarHBondContact O-N 2.92Å; E556-L560 WeakPolarHBondContact O-CB 3.2Å; E556-L560 PolarHBondContact O-N 2.88Å
557S89Confident90.4Very high51 Ų5155.9 Ų55.936%0.35729%0.288SS..Hα-helixtrans-66.1-37173.7-63.40000112T552 D554 F555 A561T552-S557 VanDerWaalsContact CG2-CB 3.49Å; D554-S557 WeakPolarHBondContact O-CB 3.35Å; D554-S557 PolarHBondContact O-N 3.1Å; F555-S557 PolarHBondContact O-N 3.1Å; S557-A561 WeakPolarHBondContact O-CB 3.28Å; S557-A561 PolarHBondContact O-N 3.22Å
558I90.7Very high90.1Very high1 Ų151.8 Ų51.81%0.00527%0.27CS..Hα-helixtrans-63-48.1171.8-68.8-177.8000110.6W341 V345 L350 L467 I549 D554 F555 L560 A561 H562W341-I558 HydrophobicContact CG-CD1 4.34Å; V345-I558 HydrophobicContact CG2-CD1 3.82Å; L350-I558 HydrophobicContact CD2-CD1 4.42Å; L350-I558 HydrophobicContact CD2-CG2 4.01Å; L467-I558 HydrophobicContact CD2-CG2 4.41Å; I549-I558 HydrophobicContact CD1-CG2 4.36Å; I549-I558 HydrophobicContact CG1-CG1 4.18Å; I549-I558 HydrophobicContact CG1-CG2 4.12Å; I549-I558 HydrophobicContact CG2-CD1 3.91Å; I549-I558 HydrophobicContact CG2-CG1 4.36Å; D554-I558 PolarHBondContact O-N 2.74Å; F555-I558 WeakPolarHBondContact O-CB 3.31Å; F555-I558 PolarHBondContact O-N 3.4Å; I558-L560 PolarHBondContact O-N 3.46Å; I558-A561 PolarHBondContact O-N 3.37Å; I558-H562 WeakPolarHBondContact O-CB 3.37Å; I558-H562 PolarHBondContact O-N 3.09Å
559R88.3Confident90Very high83 Ų8346.8 Ų46.831%0.31325%0.246SC..Hα-helixtrans-58.1-48.7179.4-178.8178.7175.4164.50.8111L467 F555 E556 H562 D563L467-R559 HydrophobicContact CD1-CB 4.24Å; L467-R559 HydrophobicContact CD1-CG 4.4Å; F555-R559 PolarHBondContact O-N 3.38Å; E556-R559 PolarHBondContact O-N 2.92Å; R559-H562 PolarHBondContact O-N 2.79Å; R559-D563 PolarHBondContact O-N 2.79Å
560L89.5Confident89.8Confident124 Ų12447.1 Ų47.165%0.64925%0.248SC*.Hα-helixtrans-64.1-42.1178.2-173.7146000112.2E556 I558 H562 D563 H564E556-L560 WeakPolarHBondContact O-CB 3.2Å; E556-L560 PolarHBondContact O-N 2.88Å; I558-L560 PolarHBondContact O-N 3.46Å; L560-H562 VanDerWaalsContact C-N 3.3Å; L560-H562 PolarHBondContact O-N 3.49Å; L560-D563 PolarHBondContact O-N 3.04Å; L560-H564 WeakPolarHBondContact O-CB 3.38Å; L560-H564 PolarHBondContact O-N 3.14Å
561A91.6Very high89.5Confident16 Ų1644.2 Ų44.213%0.13224%0.238CC..Hα-helixtrans-62-39.3175.900000111.7L545 Q548 S557 I558 F565L545-A561 HydrophobicContact CD1-CB 4.12Å; Q548-A561 HydrophobicContact CB-CB 4.12Å; S557-A561 WeakPolarHBondContact O-CB 3.28Å; S557-A561 PolarHBondContact O-N 3.22Å; I558-A561 PolarHBondContact O-N 3.37Å; A561-F565 WeakPolarHBondContact O-CB 3.45Å; A561-F565 PolarHBondContact O-N 3.17Å
562H93.8Very high89.1Confident0 Ų041.4 Ų41.40%022%0.216CC..Hα-helixtrans-68-43.2175.9178.1-86000112.4L467 V472 Y476 L545 I558 R559 L560 H564 F565 L566L467-H562 HydrophobicContact CD1-CB 3.94Å; V472-H562 VanDerWaalsContact CG1-CE1 3.47Å; V472-H562 WeakPolarHBondContact CG1-CE1 3.47Å; Y476-H562 AromaticContact CE2-CE1 3.76Å; Y476-H562 AromaticContact CE2-NE2 3.54Å; Y476-H562 AromaticContact CZ-NE2 3.56Å; Y476-H562 PolarHBondContact OH-NE2 2.7Å; L545-H562 HydrophobicContact CD1-CB 4.25Å; I558-H562 WeakPolarHBondContact O-CB 3.37Å; I558-H562 PolarHBondContact O-N 3.09Å; R559-H562 PolarHBondContact O-N 2.79Å; L560-H562 VanDerWaalsContact C-N 3.3Å; L560-H562 PolarHBondContact O-N 3.49Å; H562-H564 VanDerWaalsContact C-N 3.32Å; H562-H564 PolarHBondContact O-N 3.38Å; H562-F565 WeakPolarHBondContact O-CB 3.4Å; H562-F565 PolarHBondContact O-N 3.37Å; H562-L566 PolarHBondContact O-N 3.3Å
563D89.5Confident88.7Confident56 Ų5639.9 Ų39.930%0.29921%0.206SC..Hα-helixtrans-63.7-39.6175.8-73-20.5000111.5R559 L560 S567R559-D563 PolarHBondContact O-N 2.79Å; L560-D563 PolarHBondContact O-N 3.04Å; D563-S567 VanDerWaalsContact O-CB 3.3Å; D563-S567 WeakPolarHBondContact O-CB 3.31Å; D563-S567 PolarHBondContact O-N 3.34Å; D563-S567 PolarHBondContact O-OG 3.14Å
564H90.4Very high88.4Confident109 Ų10934.3 Ų34.351%0.50519%0.186SC..Hα-helixtrans-65.3-43.4173.1-173.563.7000112.1L560 H562 L566 S567 N568L560-H564 WeakPolarHBondContact O-CB 3.38Å; L560-H564 PolarHBondContact O-N 3.14Å; H562-H564 VanDerWaalsContact C-N 3.32Å; H562-H564 PolarHBondContact O-N 3.38Å; H564-L566 PolarHBondContact O-N 3.36Å; H564-S567 PolarHBondContact O-N 3.02Å; H564-N568 PolarHBondContact CD2-ND2 3.15Å; H564-N568 PolarHBondContact CE1-ND2 3.31Å; H564-N568 VanDerWaalsContact CE1-ND2 3.32Å; H564-N568 PolarHBondContact CE1-OD1 3.31Å; H564-N568 PolarHBondContact NE2-ND2 3.09Å; H564-N568 WeakPolarHBondContact O-CB 3.44Å; H564-N568 VanDerWaalsContact O-CG 3.25Å; H564-N568 PolarHBondContact O-N 3.47Å
565F93.3Very high87.9Confident5 Ų533.9 Ų33.92%0.02218%0.183CC..Hα-helixtrans-55.1-51.7174.2163.2-100.2000111.4L362 Y476 Q541 F542 L545 A561 H562 N568 L569L362-F565 HydrophobicContact CD1-CZ 4Å; Y476-F565 HydrophobicContact CE1-CE1 4.14Å; Y476-F565 WeakPolarHBondContact OH-CE1 3.3Å; Q541-F565 HydrophobicContact CB-CD2 3.7Å; Q541-F565 HydrophobicContact CB-CE2 3.67Å; Q541-F565 WeakPolarHBondContact O-CD2 3.39Å; F542-F565 HydrophobicContact CB-CE2 4.13Å; F542-F565 HydrophobicContact CD2-CE2 4.48Å; F542-F565 HydrophobicContact CD2-CZ 4.22Å; L545-F565 HydrophobicContact CB-CB 4.33Å; L545-F565 HydrophobicContact CB-CD2 4.14Å; L545-F565 HydrophobicContact CB-CG 4.27Å; L545-F565 HydrophobicContact CD1-CB 4.25Å; L545-F565 HydrophobicContact CD2-CB 4.23Å; L545-F565 HydrophobicContact CD2-CD1 3.85Å; L545-F565 HydrophobicContact CD2-CD2 4.28Å; L545-F565 HydrophobicContact CD2-CE1 4.29Å; L545-F565 HydrophobicContact CD2-CG 3.84Å; A561-F565 WeakPolarHBondContact O-CB 3.45Å; A561-F565 PolarHBondContact O-N 3.17Å; H562-F565 WeakPolarHBondContact O-CB 3.4Å; H562-F565 PolarHBondContact O-N 3.37Å; F565-N568 PolarHBondContact O-N 2.87Å; F565-L569 HydrophobicContact CE1-CD1 3.99Å; F565-L569 HydrophobicContact CE2-CD1 4Å; F565-L569 HydrophobicContact CZ-CD1 3.48Å; F565-L569 VanDerWaalsContact CZ-CD1 3.48Å; F565-L569 VanDerWaalsContact O-CB 3.23Å; F565-L569 WeakPolarHBondContact O-CB 3.43Å; F565-L569 PolarHBondContact O-N 2.95Å
566L91.4Very high87.4Confident3 Ų338.2 Ų38.22%0.01621%0.205CC..Hα-helixtrans-68.6-37.9-176.5-169.955.4000112.2V472 K475 Y476 H562 H564 L569 L570V472-L566 HydrophobicContact CG1-CD2 4.11Å; K475-L566 HydrophobicContact CB-CD1 4.37Å; K475-L566 HydrophobicContact CB-CD2 3.55Å; K475-L566 HydrophobicContact CB-CG 4.01Å; K475-L566 HydrophobicContact CD-CD2 3.88Å; K475-L566 HydrophobicContact CD-CG 4.38Å; K475-L566 HydrophobicContact CG-CD2 4.38Å; Y476-L566 HydrophobicContact CD1-CD1 3.85Å; Y476-L566 HydrophobicContact CD2-CD1 4.37Å; Y476-L566 HydrophobicContact CD2-CD2 4.2Å; Y476-L566 HydrophobicContact CE1-CD1 3.77Å; Y476-L566 HydrophobicContact CE2-CD1 4.31Å; Y476-L566 HydrophobicContact CE2-CD2 4.07Å; Y476-L566 HydrophobicContact CG-CD1 4.15Å; H562-L566 PolarHBondContact O-N 3.3Å; H564-L566 PolarHBondContact O-N 3.36Å; L566-L569 PolarHBondContact O-N 2.95Å; L566-L570 WeakPolarHBondContact O-CG 3.44Å; L566-L570 PolarHBondContact O-N 3.33Å
567S88.8Confident87.1Confident56 Ų5638.1 Ų38.139%0.39221%0.207SC..Hα-helixtrans-64.6-44.3175.3-58.70000111.9D563 H564 L569 L570 A571D563-S567 VanDerWaalsContact O-CB 3.3Å; D563-S567 WeakPolarHBondContact O-CB 3.31Å; D563-S567 PolarHBondContact O-N 3.34Å; D563-S567 PolarHBondContact O-OG 3.14Å; H564-S567 PolarHBondContact O-N 3.02Å; S567-L569 VanDerWaalsContact C-N 3.32Å; S567-L570 PolarHBondContact O-N 3.18Å; S567-A571 WeakPolarHBondContact O-CB 3.48Å; S567-A571 PolarHBondContact O-N 3.03Å
568N87.7Confident86.6Confident36 Ų3640.4 Ų40.419%0.19321%0.21CC..Hα-helixtrans-64.2-39.9174.5-73.8-9.8000111.5Q541 H564 F565 A571 Q572Q541-N568 PolarHBondContact NE2-ND2 2.96Å; Q541-N568 VanDerWaalsContact NE2-ND2 3.19Å; H564-N568 PolarHBondContact CD2-ND2 3.15Å; H564-N568 PolarHBondContact CE1-ND2 3.31Å; H564-N568 VanDerWaalsContact CE1-ND2 3.32Å; H564-N568 PolarHBondContact CE1-OD1 3.31Å; H564-N568 PolarHBondContact NE2-ND2 3.09Å; H564-N568 WeakPolarHBondContact O-CB 3.44Å; H564-N568 VanDerWaalsContact O-CG 3.25Å; H564-N568 PolarHBondContact O-N 3.47Å; F565-N568 PolarHBondContact O-N 2.87Å; N568-A571 PolarHBondContact O-N 3.05Å; N568-Q572 VanDerWaalsContact O-CB 3.22Å; N568-Q572 WeakPolarHBondContact O-CB 3.28Å; N568-Q572 VanDerWaalsContact O-CG 3.24Å; N568-Q572 WeakPolarHBondContact O-CG 3.43Å; N568-Q572 PolarHBondContact O-N 3.1Å
569L88.6Confident86.3Confident0 Ų044.3 Ų44.30%024%0.236CC..Hα-helixtrans-62.9-44179.1-172.6152.6000111.3L362 V479 L538 F565 L566 S567 S573L362-L569 HydrophobicContact CD1-CD1 3.91Å; L362-L569 HydrophobicContact CD2-CD1 3.89Å; L362-L569 HydrophobicContact CD2-CD2 4.31Å; V479-L569 HydrophobicContact CB-CD2 3.9Å; V479-L569 HydrophobicContact CG1-CD2 3.35Å; V479-L569 HydrophobicContact CG2-CD2 3.27Å; L538-L569 HydrophobicContact CD2-CD1 3.29Å; L538-L569 HydrophobicContact CD2-CD2 4.22Å; L538-L569 HydrophobicContact CD2-CG 3.71Å; F565-L569 HydrophobicContact CE1-CD1 3.99Å; F565-L569 HydrophobicContact CE2-CD1 4Å; F565-L569 HydrophobicContact CZ-CD1 3.48Å; F565-L569 VanDerWaalsContact CZ-CD1 3.48Å; F565-L569 VanDerWaalsContact O-CB 3.23Å; F565-L569 WeakPolarHBondContact O-CB 3.43Å; F565-L569 PolarHBondContact O-N 2.95Å; L566-L569 PolarHBondContact O-N 2.95Å; S567-L569 VanDerWaalsContact C-N 3.32Å; L569-S573 WeakPolarHBondContact O-CB 3.38Å; L569-S573 PolarHBondContact O-N 3.22Å; L569-S573 PolarHBondContact O-OG 3.35Å
570L86.9Confident86.1Confident9 Ų940.5 Ų40.55%0.04722%0.222CC..Hα-helixtrans-64.2-42.2174.3-74.9164.8000112.2K475 V478 V479 L566 S567 I575 L576K475-L570 HydrophobicContact CB-CD1 4.26Å; K475-L570 HydrophobicContact CD-CD1 4.38Å; K475-L570 HydrophobicContact CG-CD1 4.25Å; V478-L570 HydrophobicContact CG1-CD2 4.47Å; V479-L570 HydrophobicContact CG2-CD2 3.53Å; V479-L570 HydrophobicContact CG2-CG 4.11Å; L566-L570 WeakPolarHBondContact O-CG 3.44Å; L566-L570 PolarHBondContact O-N 3.33Å; S567-L570 PolarHBondContact O-N 3.18Å; L570-I575 HydrophobicContact CD2-CB 4.49Å; L570-I575 HydrophobicContact CD2-CD1 4.11Å; L570-I575 HydrophobicContact CD2-CG2 4.31Å; L570-I575 PolarHBondContact O-N 3.3Å; L570-L576 HydrophobicContact CB-CD1 4.13Å; L570-L576 HydrophobicContact CB-CD2 4.3Å; L570-L576 HydrophobicContact CB-CG 4.06Å
571A83.9Confident85.8Confident40 Ų4037.4 Ų37.433%0.33120%0.203SC..Hα-helixtrans-68.3-51.118000000112.7S567 N568 S573 F574 L576S567-A571 WeakPolarHBondContact O-CB 3.48Å; S567-A571 PolarHBondContact O-N 3.03Å; N568-A571 PolarHBondContact O-N 3.05Å; A571-S573 VanDerWaalsContact C-N 3.33Å; A571-S573 PolarHBondContact O-N 2.91Å; A571-F574 PolarHBondContact O-N 3.21Å; A571-F574 VanDerWaalsContact O-N 3.08Å; A571-L576 HydrophobicContact CB-CD1 3.99Å
572Q83.8Confident85.6Confident26 Ų2641.9 Ų41.912%0.12122%0.221CC..Hα-helixtrans-72.1-25.8-177.4-65.4176.87.100112.3Y532 V537 N568 F574Y532-Q572 PolarHBondContact OH-O 3.4Å; V537-Q572 HydrophobicContact CB-CB 4.5Å; V537-Q572 HydrophobicContact CG1-CB 3.72Å; V537-Q572 HydrophobicContact CG2-CB 3.96Å; N568-Q572 VanDerWaalsContact O-CB 3.22Å; N568-Q572 WeakPolarHBondContact O-CB 3.28Å; N568-Q572 VanDerWaalsContact O-CG 3.24Å; N568-Q572 WeakPolarHBondContact O-CG 3.43Å; N568-Q572 PolarHBondContact O-N 3.1Å; Q572-F574 PolarHBondContact O-N 3.42Å
573S83.8Confident85.3Confident0 Ų041.9 Ų41.90%022%0.221CC..THydrogen-bonded Turntrans-75.24.3170-56.40000113.6L569 A571 I575L569-S573 WeakPolarHBondContact O-CB 3.38Å; L569-S573 PolarHBondContact O-N 3.22Å; L569-S573 PolarHBondContact O-OG 3.35Å; A571-S573 VanDerWaalsContact C-N 3.33Å; A571-S573 PolarHBondContact O-N 2.91Å; S573-I575 PolarHBondContact O-N 3.41Å
574F82.5Confident85.2Confident8 Ų839.3 Ų39.34%0.03521%0.207CC..THydrogen-bonded Turntrans62.115.3-178.7-47.6-58.5000115.6Y532 A571 Q572 L577 V580 L584 L632 L644 L647Y532-F574 HydrophobicContact CD1-CE2 4.17Å; Y532-F574 HydrophobicContact CE1-CD2 4.48Å; Y532-F574 AromaticContact CE1-CE2 3.51Å; Y532-F574 HydrophobicContact CE1-CE2 3.51Å; Y532-F574 AromaticContact CE1-CZ 3.66Å; Y532-F574 HydrophobicContact CE1-CZ 3.66Å; Y532-F574 AromaticContact CZ-CZ 3.94Å; A571-F574 PolarHBondContact O-N 3.21Å; A571-F574 VanDerWaalsContact O-N 3.08Å; Q572-F574 PolarHBondContact O-N 3.42Å; F574-L577 HydrophobicContact CD1-CD1 4.12Å; F574-L577 PolarHBondContact O-N 3.48Å; F574-V580 HydrophobicContact CB-CB 4.14Å; F574-V580 HydrophobicContact CB-CG1 3.55Å; F574-V580 HydrophobicContact CD1-CG1 4.29Å; F574-V580 HydrophobicContact CD2-CG1 4.18Å; F574-V580 HydrophobicContact CG-CG1 3.76Å; F574-L584 HydrophobicContact CB-CD1 4.34Å; F574-L584 HydrophobicContact CD2-CD1 4.17Å; F574-L632 HydrophobicContact CD1-CD2 4.35Å; F574-L632 HydrophobicContact CE1-CD2 3.92Å; F574-L632 HydrophobicContact CE2-CD2 4.28Å; F574-L632 HydrophobicContact CZ-CD2 3.89Å; F574-L644 HydrophobicContact CE1-CD1 4.03Å; F574-L644 HydrophobicContact CZ-CD1 3.77Å; F574-L647 HydrophobicContact CE2-CD2 3.78Å; F574-L647 HydrophobicContact CZ-CD2 3.94Å
575I79.4Confident85.1Confident23 Ų2335.5 Ų35.512%0.11819%0.193CC..SBendtrans-69.1-40-179-63.1170.9000110.2V478 V479 Y482 L570 S573 L577 F581V478-I575 HydrophobicContact CG1-CG2 4.03Å; V479-I575 HydrophobicContact CG2-CD1 4.11Å; Y482-I575 HydrophobicContact CD1-CD1 3.97Å; Y482-I575 HydrophobicContact CD1-CG1 4.06Å; Y482-I575 HydrophobicContact CE1-CG1 4.48Å; Y482-I575 HydrophobicContact CG-CD1 4.17Å; Y482-I575 HydrophobicContact CG-CG1 4.21Å; L570-I575 HydrophobicContact CD2-CB 4.49Å; L570-I575 HydrophobicContact CD2-CD1 4.11Å; L570-I575 HydrophobicContact CD2-CG2 4.31Å; L570-I575 PolarHBondContact O-N 3.3Å; S573-I575 PolarHBondContact O-N 3.41Å; I575-L577 VanDerWaalsContact C-N 3.3Å; I575-L577 PolarHBondContact O-N 2.85Å; I575-F581 HydrophobicContact CG1-CD2 4.48Å; I575-F581 HydrophobicContact CG1-CE2 4.48Å
576L76.1Confident85Confident91 Ų9138 Ų3848%0.47620%0.204SC..SBendtrans-73.5-20.3179.2-57.8-179.2000113.3L570 A571 K578L570-L576 HydrophobicContact CB-CD1 4.13Å; L570-L576 HydrophobicContact CB-CD2 4.3Å; L570-L576 HydrophobicContact CB-CG 4.06Å; A571-L576 HydrophobicContact CB-CD1 3.99Å; L576-K578 PolarHBondContact O-N 3.04Å
577L79.8Confident85Confident63 Ų6337.9 Ų37.933%0.3320%0.204SC..  trans-88.686.2-179.1-64.4-178.3000110.5F574 I575 P579 V580 F581F574-L577 HydrophobicContact CD1-CD1 4.12Å; F574-L577 PolarHBondContact O-N 3.48Å; I575-L577 VanDerWaalsContact C-N 3.3Å; I575-L577 PolarHBondContact O-N 2.85Å; L577-P579 VanDerWaalsContact C-CD 3.43Å; L577-P579 VanDerWaalsContact C-N 3.33Å; L577-P579 VanDerWaalsContact O-N 3.07Å; L577-V580 HydrophobicContact CB-CB 4.09Å; L577-V580 HydrophobicContact CB-CG2 4.08Å; L577-V580 HydrophobicContact CD1-CG2 4.29Å; L577-V580 PolarHBondContact O-N 3.3Å; L577-F581 PolarHBondContact O-N 3.25Å
578K79.6Confident85.1Confident100 Ų10035.5 Ų35.544%0.43519%0.187SC..Hα-helixtrans-41.1-47.4-177.4-72.1179.9179.6162.60114.8E246 L576 V580 H582E246-K578 VanDerWaalsContact CD-NZ 3.28Å; E246-K578 WeakPolarHBondContact OE1-CE 3.37Å; E246-K578 IonicContact OE1-NZ 3.46Å; E246-K578 PolarHBondContact OE1-NZ 3.43Å; E246-K578 VanDerWaalsContact OE1-NZ 3.08Å; E246-K578 IonicContact OE2-NZ 2.62Å; E246-K578 PolarHBondContact OE2-NZ 3.1Å; L576-K578 PolarHBondContact O-N 3.04Å; K578-V580 PolarHBondContact O-N 2.98Å; K578-H582 VanDerWaalsContact O-CB 3.28Å; K578-H582 WeakPolarHBondContact O-CB 3.41Å; K578-H582 PolarHBondContact O-N 3.4Å
579P83.3Confident85.2Confident83 Ų8339.4 Ų39.454%0.53920%0.204SC..Hα-helixtrans-66.1-38.4179.9-21.133.9000113.8L577 C583 I631L577-P579 VanDerWaalsContact C-CD 3.43Å; L577-P579 VanDerWaalsContact C-N 3.33Å; L577-P579 VanDerWaalsContact O-N 3.07Å; P579-C583 WeakPolarHBondContact O-CB 3.47Å; P579-C583 PolarHBondContact O-N 2.89Å; P579-C583 VanDerWaalsContact O-N 3.16Å; P579-I631 HydrophobicContact CB-CD1 4.31Å
580V83.9Confident85.3Confident2 Ų240.6 Ų40.61%0.01221%0.21CC..Hα-helixtrans-72.2-47179.1-178.90000109.6F574 L577 K578 H582 C583 L584 L628 I631 L632F574-V580 HydrophobicContact CB-CB 4.14Å; F574-V580 HydrophobicContact CB-CG1 3.55Å; F574-V580 HydrophobicContact CD1-CG1 4.29Å; F574-V580 HydrophobicContact CD2-CG1 4.18Å; F574-V580 HydrophobicContact CG-CG1 3.76Å; L577-V580 HydrophobicContact CB-CB 4.09Å; L577-V580 HydrophobicContact CB-CG2 4.08Å; L577-V580 HydrophobicContact CD1-CG2 4.29Å; L577-V580 PolarHBondContact O-N 3.3Å; K578-V580 PolarHBondContact O-N 2.98Å; V580-H582 VanDerWaalsContact C-N 3.33Å; V580-H582 PolarHBondContact O-N 3.17Å; V580-C583 PolarHBondContact O-N 3.48Å; V580-L584 HydrophobicContact CG1-CD1 3.82Å; V580-L584 HydrophobicContact CG1-CG 4.29Å; V580-L584 WeakPolarHBondContact O-CB 3.09Å; V580-L584 WeakPolarHBondContact O-CG 3.39Å; V580-L584 PolarHBondContact O-N 3.4Å; V580-L628 HydrophobicContact CG1-CD1 3.88Å; V580-I631 HydrophobicContact CG2-CG2 3.48Å; V580-I631 VanDerWaalsContact CG2-CG2 3.48Å; V580-L632 HydrophobicContact CG1-CD2 4.08Å; V580-L632 HydrophobicContact CG2-CD2 4.36Å
581F84.9Confident85.6Confident59 Ų5940.2 Ų40.226%0.25921%0.208SC..Hα-helixtrans-58.6-43.5177.7-175.2-102.2000112.2Y482 I575 L577 L584 S585Y482-F581 HydrophobicContact CD2-CD2 4.36Å; Y482-F581 AromaticContact CD2-CE2 3.64Å; Y482-F581 HydrophobicContact CD2-CE2 3.64Å; Y482-F581 HydrophobicContact CE2-CD2 4.21Å; Y482-F581 AromaticContact CE2-CE2 3.91Å; Y482-F581 HydrophobicContact CE2-CE2 3.91Å; Y482-F581 HydrophobicContact CG-CE2 4.44Å; I575-F581 HydrophobicContact CG1-CD2 4.48Å; I575-F581 HydrophobicContact CG1-CE2 4.48Å; L577-F581 PolarHBondContact O-N 3.25Å; F581-L584 PolarHBondContact O-N 3.32Å; F581-S585 WeakPolarHBondContact O-CB 3.48Å; F581-S585 PolarHBondContact O-N 2.97Å; F581-S585 PolarHBondContact O-OG 3.46Å
582H86.9Confident85.8Confident110 Ų11040.5 Ų40.551%0.50920%0.203SC..Hα-helixtrans-62.3-46.5176-179.161.7000111.8K578 V580 L584 S585 E586K578-H582 VanDerWaalsContact O-CB 3.28Å; K578-H582 WeakPolarHBondContact O-CB 3.41Å; K578-H582 PolarHBondContact O-N 3.4Å; V580-H582 VanDerWaalsContact C-N 3.33Å; V580-H582 PolarHBondContact O-N 3.17Å; H582-L584 PolarHBondContact O-N 2.89Å; H582-S585 PolarHBondContact O-N 3.21Å; H582-E586 PolarHBondContact O-N 2.91Å
583C87.1Confident86.1Confident1 Ų141.8 Ų41.81%0.00721%0.214CC..Hα-helixtrans-62.2-42.4177.9-170.30000112.1P579 V580 E586 I587 Q624P579-C583 WeakPolarHBondContact O-CB 3.47Å; P579-C583 PolarHBondContact O-N 2.89Å; P579-C583 VanDerWaalsContact O-N 3.16Å; V580-C583 PolarHBondContact O-N 3.48Å; C583-E586 PolarHBondContact O-N 3.16Å; C583-I587 WeakPolarHBondContact O-CB 3.42Å; C583-I587 WeakPolarHBondContact O-CD1 3.28Å; C583-I587 VanDerWaalsContact O-CG1 3.25Å; C583-I587 WeakPolarHBondContact O-CG1 3.23Å; C583-I587 PolarHBondContact O-N 3.33Å; C583-Q624 PolarHBondContact SG-O 2.82Å; C583-Q624 PolarHBondContact SG-OE1 3.42Å
584L88.3Confident86.3Confident2 Ų241.8 Ų41.81%0.0121%0.214CC..Hα-helixtrans-65.1-41.4175.6-71.6173.8000112Y482 L529 F574 V580 F581 H582 I587 L588 L628Y482-L584 WeakPolarHBondContact OH-CD1 3.35Å; L529-L584 HydrophobicContact CD1-CD2 4.42Å; L529-L584 HydrophobicContact CD2-CD2 3.83Å; F574-L584 HydrophobicContact CB-CD1 4.34Å; F574-L584 HydrophobicContact CD2-CD1 4.17Å; V580-L584 HydrophobicContact CG1-CD1 3.82Å; V580-L584 HydrophobicContact CG1-CG 4.29Å; V580-L584 WeakPolarHBondContact O-CB 3.09Å; V580-L584 WeakPolarHBondContact O-CG 3.39Å; V580-L584 PolarHBondContact O-N 3.4Å; F581-L584 PolarHBondContact O-N 3.32Å; H582-L584 PolarHBondContact O-N 2.89Å; L584-I587 HydrophobicContact CD2-CD1 4.5Å; L584-I587 WeakPolarHBondContact O-CB 3.29Å; L584-I587 PolarHBondContact O-N 2.96Å; L584-L588 VanDerWaalsContact O-CG 3.3Å; L584-L588 WeakPolarHBondContact O-CG 3.4Å; L584-L588 PolarHBondContact O-N 3.18Å; L584-L628 HydrophobicContact CD2-CD1 3.87Å; L584-L628 HydrophobicContact CD2-CD2 3.61Å; L584-L628 HydrophobicContact CD2-CG 4.41Å; L584-L628 HydrophobicContact CG-CD1 3.95Å
585S88Confident86.6Confident29 Ų2941.9 Ų41.920%0.20322%0.216CC..Hα-helixtrans-61.6-45.6176.1-59.70000111.3F581 H582 I587 L588 E589F581-S585 WeakPolarHBondContact O-CB 3.48Å; F581-S585 PolarHBondContact O-N 2.97Å; F581-S585 PolarHBondContact O-OG 3.46Å; H582-S585 PolarHBondContact O-N 3.21Å; S585-I587 VanDerWaalsContact C-N 3.33Å; S585-I587 PolarHBondContact O-N 3.26Å; S585-L588 WeakPolarHBondContact O-CB 3.44Å; S585-L588 PolarHBondContact O-N 2.85Å; S585-L588 VanDerWaalsContact O-N 3.15Å; S585-E589 WeakPolarHBondContact O-CG 3.44Å; S585-E589 PolarHBondContact O-N 3.48Å
586E89.6Confident86.8Confident56 Ų5643.8 Ų43.826%0.26223%0.232SC..Hα-helixtrans-63.7-38.3176.3-164.3-178.5155.200111.7H582 C583 L588 E589 L590 Q624H582-E586 PolarHBondContact O-N 2.91Å; C583-E586 PolarHBondContact O-N 3.16Å; E586-L588 PolarHBondContact O-N 3.33Å; E586-E589 PolarHBondContact O-N 3.08Å; E586-L590 HydrophobicContact CG-CD1 4.44Å; E586-L590 WeakPolarHBondContact O-CB 3.49Å; E586-L590 VanDerWaalsContact O-CG 3.23Å; E586-L590 WeakPolarHBondContact O-CG 3.38Å; E586-L590 PolarHBondContact O-N 3.3Å; E586-Q624 HydrophobicContact CG-CG 4.18Å; E586-Q624 PolarHBondContact OE1-NE2 3.07Å; E586-Q624 PolarHBondContact OE2-NE2 3.33Å
587I91.8Very high87.2Confident1 Ų139.9 Ų39.91%0.00521%0.211CC..Hα-helixtrans-59.4-45.7172.4-76.2163.2000111.1L525 I526 C583 L584 S585 L590 C591 F621 Q624 L628L525-I587 HydrophobicContact CD2-CD1 4.12Å; L525-I587 HydrophobicContact CD2-CG2 3.97Å; I526-I587 HydrophobicContact CD1-CG2 4.18Å; C583-I587 WeakPolarHBondContact O-CB 3.42Å; C583-I587 WeakPolarHBondContact O-CD1 3.28Å; C583-I587 VanDerWaalsContact O-CG1 3.25Å; C583-I587 WeakPolarHBondContact O-CG1 3.23Å; C583-I587 PolarHBondContact O-N 3.33Å; L584-I587 HydrophobicContact CD2-CD1 4.5Å; L584-I587 WeakPolarHBondContact O-CB 3.29Å; L584-I587 PolarHBondContact O-N 2.96Å; S585-I587 VanDerWaalsContact C-N 3.33Å; S585-I587 PolarHBondContact O-N 3.26Å; I587-L590 PolarHBondContact O-N 3.02Å; I587-C591 PolarHBondContact O-N 3.41Å; I587-C591 PolarHBondContact O-SG 2.7Å; I587-F621 HydrophobicContact CG2-CE2 3.93Å; I587-Q624 HydrophobicContact CD1-CB 4.19Å; I587-Q624 HydrophobicContact CG1-CB 3.71Å; I587-L628 HydrophobicContact CD1-CB 4.28Å; I587-L628 HydrophobicContact CD1-CD2 3.85Å
588L90.8Very high87.3Confident7 Ų737.1 Ų37.14%0.03720%0.197CC..Hα-helixtrans-63.6-40.8177.8-66.8173.2000111.5V486 V489 I526 L584 S585 E586 C591 Q592V486-L588 HydrophobicContact CG2-CD1 4.11Å; V486-L588 HydrophobicContact CG2-CD2 4.33Å; V489-L588 HydrophobicContact CB-CD2 3.86Å; V489-L588 HydrophobicContact CG1-CD2 4.05Å; V489-L588 HydrophobicContact CG2-CB 4.13Å; V489-L588 HydrophobicContact CG2-CD2 3.79Å; I526-L588 HydrophobicContact CD1-CD2 3.7Å; L584-L588 VanDerWaalsContact O-CG 3.3Å; L584-L588 WeakPolarHBondContact O-CG 3.4Å; L584-L588 PolarHBondContact O-N 3.18Å; S585-L588 WeakPolarHBondContact O-CB 3.44Å; S585-L588 PolarHBondContact O-N 2.85Å; S585-L588 VanDerWaalsContact O-N 3.15Å; E586-L588 PolarHBondContact O-N 3.33Å; L588-C591 WeakPolarHBondContact O-CB 3.46Å; L588-C591 PolarHBondContact O-N 3.22Å; L588-Q592 WeakPolarHBondContact O-CG 3.35Å; L588-Q592 PolarHBondContact O-N 3.05Å
589E90.1Very high87.1Confident118 Ų11834.2 Ų34.255%0.55120%0.195SC*.Hα-helixtrans-65.2-41.8175.7-72.8175.2-16700112.7S585 E586 C591 Q592 S593S585-E589 WeakPolarHBondContact O-CG 3.44Å; S585-E589 PolarHBondContact O-N 3.48Å; E586-E589 PolarHBondContact O-N 3.08Å; E589-C591 VanDerWaalsContact C-N 3.32Å; E589-C591 PolarHBondContact O-N 3.41Å; E589-Q592 PolarHBondContact O-N 2.84Å; E589-S593 WeakPolarHBondContact O-CB 3.37Å; E589-S593 PolarHBondContact O-N 2.93Å; E589-S593 PolarHBondContact O-OG 3.03Å
590L91.6Very high86.4Confident25 Ų2535.7 Ų35.713%0.13120%0.195CC..Hα-helixtrans-62.5-40.4174.6-72.5169.7000111.2E586 I587 S593 F594 L617 Q624E586-L590 HydrophobicContact CG-CD1 4.44Å; E586-L590 WeakPolarHBondContact O-CB 3.49Å; E586-L590 VanDerWaalsContact O-CG 3.23Å; E586-L590 WeakPolarHBondContact O-CG 3.38Å; E586-L590 PolarHBondContact O-N 3.3Å; I587-L590 PolarHBondContact O-N 3.02Å; L590-S593 PolarHBondContact O-N 2.83Å; L590-F594 WeakPolarHBondContact O-CB 3.39Å; L590-F594 PolarHBondContact O-N 3.35Å; L590-L617 HydrophobicContact CD2-CD2 3.88Å; L590-Q624 HydrophobicContact CD1-CG 4.05Å
591C91.6Very high85Confident0 Ų039.1 Ų39.10%022%0.219CC..Hα-helixtrans-63.7-42.2173.7-70.80000112V489 L493 I587 L588 E589 F594 C595V489-C591 HydrophobicContact CG1-CB 3.38Å; L493-C591 HydrophobicContact CD1-CB 4.37Å; I587-C591 PolarHBondContact O-N 3.41Å; I587-C591 PolarHBondContact O-SG 2.7Å; L588-C591 WeakPolarHBondContact O-CB 3.46Å; L588-C591 PolarHBondContact O-N 3.22Å; E589-C591 VanDerWaalsContact C-N 3.32Å; E589-C591 PolarHBondContact O-N 3.41Å; C591-F594 WeakPolarHBondContact O-CB 3.32Å; C591-F594 PolarHBondContact O-N 3.22Å; C591-C595 PolarHBondContact O-N 3.12Å; C591-C595 PolarHBondContact O-SG 3.15Å
592Q89.3Confident83.4Confident47 Ų4741.6 Ų41.622%0.2224%0.239CC..Hα-helixtrans-65.3-40.5176.4-71.217237.400112V489 L588 E589 F594 C595 S596V489-Q592 HydrophobicContact CG2-CG 3.77Å; L588-Q592 WeakPolarHBondContact O-CG 3.35Å; L588-Q592 PolarHBondContact O-N 3.05Å; E589-Q592 PolarHBondContact O-N 2.84Å; Q592-F594 VanDerWaalsContact C-N 3.34Å; Q592-C595 PolarHBondContact O-N 3.24Å; Q592-S596 PolarHBondContact O-N 2.99Å; Q592-S596 PolarHBondContact O-OG 2.96Å
593S88.9Confident81.4Confident52 Ų5240 Ų4036%0.36425%0.245SC..Hα-helixtrans-62.4-42.2174.8-62.60000111.4E589 L590 S596 L597E589-S593 WeakPolarHBondContact O-CB 3.37Å; E589-S593 PolarHBondContact O-N 2.93Å; E589-S593 PolarHBondContact O-OG 3.03Å; L590-S593 PolarHBondContact O-N 2.83Å; S593-S596 PolarHBondContact O-N 2.95Å; S593-L597 PolarHBondContact O-N 3.13Å
594F89.6Confident79.6Confident0 Ų045.5 Ų45.50%028%0.283CS..Hα-helixtrans-62.1-44.6172.6175.1-99.1000112.2L493 K515 L518 R519 M522 L590 C591 Q592 S596 L597 V598 L614 L617L493-F594 HydrophobicContact CD2-CD1 4.05Å; L493-F594 HydrophobicContact CD2-CE1 4.43Å; K515-F594 HydrophobicContact CB-CE2 4.25Å; K515-F594 HydrophobicContact CB-CZ 4.33Å; K515-F594 HydrophobicContact CG-CE2 4.39Å; K515-F594 WeakPolarHBondContact O-CZ 3.49Å; L518-F594 HydrophobicContact CB-CE2 4.49Å; L518-F594 HydrophobicContact CD2-CD2 3.69Å; L518-F594 HydrophobicContact CD2-CE2 3.97Å; L518-F594 HydrophobicContact CD2-CG 4.45Å; L518-F594 HydrophobicContact CG-CD2 4.42Å; L518-F594 HydrophobicContact CG-CE2 4.45Å; R519-F594 HydrophobicContact CB-CE1 3.68Å; R519-F594 HydrophobicContact CB-CZ 3.78Å; R519-F594 HydrophobicContact CG-CE1 4.03Å; M522-F594 HydrophobicContact CE-CB 4Å; M522-F594 HydrophobicContact CE-CG 4.37Å; M522-F594 HydrophobicContact SD-CB 3.9Å; M522-F594 HydrophobicContact SD-CD1 3.87Å; M522-F594 HydrophobicContact SD-CG 3.83Å; L590-F594 WeakPolarHBondContact O-CB 3.39Å; L590-F594 PolarHBondContact O-N 3.35Å; C591-F594 WeakPolarHBondContact O-CB 3.32Å; C591-F594 PolarHBondContact O-N 3.22Å; Q592-F594 VanDerWaalsContact C-N 3.34Å; F594-S596 VanDerWaalsContact C-N 3.3Å; F594-S596 PolarHBondContact O-N 3.45Å; F594-L597 PolarHBondContact O-N 3.45Å; F594-V598 HydrophobicContact CD1-CG2 4.37Å; F594-V598 HydrophobicContact CD2-CG2 4.4Å; F594-V598 HydrophobicContact CE1-CG2 3.86Å; F594-V598 HydrophobicContact CE2-CG2 3.91Å; F594-V598 HydrophobicContact CZ-CG2 3.61Å; F594-V598 WeakPolarHBondContact O-CG2 3.36Å; F594-V598 PolarHBondContact O-N 3.44Å; F594-L614 HydrophobicContact CD2-CD1 4.48Å; F594-L614 HydrophobicContact CE2-CD1 4.28Å; F594-L617 HydrophobicContact CB-CD1 4.21Å
595C87.2Confident77.6Confident11 Ų1151 Ų517%0.07431%0.312CS..Hα-helixtrans-61.4-40.2177.8-66.60000111.9Q492 C496 C591 Q592 V598 G599Q492-C595 HydrophobicContact CB-CB 4.3Å; C496-C595 VanDerWaalsContact SG-CA 3.52Å; C591-C595 PolarHBondContact O-N 3.12Å; C591-C595 PolarHBondContact O-SG 3.15Å; Q592-C595 PolarHBondContact O-N 3.24Å; C595-V598 PolarHBondContact O-N 3.49Å; C595-G599 PolarHBondContact O-N 3.14Å
596S85.3Confident76Confident63 Ų6356.5 Ų56.544%0.44134%0.339SS..Hα-helixtrans-64.3-43.6176.1-58.90000111.9Q592 S593 F594 V598 G599 Q600Q592-S596 PolarHBondContact O-N 2.99Å; Q592-S596 PolarHBondContact O-OG 2.96Å; S593-S596 PolarHBondContact O-N 2.95Å; F594-S596 VanDerWaalsContact C-N 3.3Å; F594-S596 PolarHBondContact O-N 3.45Å; S596-V598 PolarHBondContact O-N 3.1Å; S596-G599 PolarHBondContact O-N 2.74Å; S596-Q600 WeakPolarHBondContact O-CB 3.44Å; S596-Q600 VanDerWaalsContact O-CG 3.25Å; S596-Q600 WeakPolarHBondContact O-CG 3.44Å; S596-Q600 PolarHBondContact O-N 2.75Å
597L84.6Confident74.7Confident9 Ų960.3 Ų60.35%0.04736%0.361CS..Hα-helixtrans-60.6-43.2175.9-179.665.1000112.2S593 F594 A610 L614 L617S593-L597 PolarHBondContact O-N 3.13Å; F594-L597 PolarHBondContact O-N 3.45Å; L597-A610 HydrophobicContact CD1-CB 4.34Å; L597-L614 HydrophobicContact CD2-CB 4.27Å; L597-L614 HydrophobicContact CD2-CD1 4.38Å; L597-L617 HydrophobicContact CD2-CD1 3.91Å
598V81.3Confident73.4Confident5 Ų570.9 Ų70.93%0.0340%0.401CS..Hα-helixtrans-68.5-36.2177.2175.50000111.5C496 Q500 F594 C595 S596C496-V598 HydrophobicContact CB-CG1 4.11Å; Q500-V598 HydrophobicContact CG-CG1 3.99Å; F594-V598 HydrophobicContact CD1-CG2 4.37Å; F594-V598 HydrophobicContact CD2-CG2 4.4Å; F594-V598 HydrophobicContact CE1-CG2 3.86Å; F594-V598 HydrophobicContact CE2-CG2 3.91Å; F594-V598 HydrophobicContact CZ-CG2 3.61Å; F594-V598 WeakPolarHBondContact O-CG2 3.36Å; F594-V598 PolarHBondContact O-N 3.44Å; C595-V598 PolarHBondContact O-N 3.49Å; S596-V598 PolarHBondContact O-N 3.1Å
599G74.3Confident72.5Confident38 Ų3872.3 Ų72.339%0.39242%0.417SS..Hα-helixtrans-68.3-40.3177.100000114C595 S596 S601C595-G599 PolarHBondContact O-N 3.14Å; S596-G599 PolarHBondContact O-N 2.74Å; G599-S601 VanDerWaalsContact C-N 3.34Å; G599-S601 PolarHBondContact O-N 3.26Å
600Q69.8Low71.5Confident114 Ų11467.8 Ų67.853%0.53340%0.4SS..Hα-helixtrans-77-12.7-175.9-72.4171.1900114.8S596 V602 A603S596-Q600 WeakPolarHBondContact O-CB 3.44Å; S596-Q600 VanDerWaalsContact O-CG 3.25Å; S596-Q600 WeakPolarHBondContact O-CG 3.44Å; S596-Q600 PolarHBondContact O-N 2.75Å; Q600-V602 PolarHBondContact O-N 3.07Å; Q600-A603 PolarHBondContact O-N 3.28Å; Q600-A603 VanDerWaalsContact O-N 3.16Å
601S55.2Low70.8Confident75 Ų7569 Ų6952%0.52441%0.414SS..THydrogen-bonded Turntrans-59.76.4-175.2-175.50000116.3G599G599-S601 VanDerWaalsContact C-N 3.34Å; G599-S601 PolarHBondContact O-N 3.26Å
602V49.7Very low70.3Confident111 Ų11175.6 Ų75.667%0.67344%0.444SS*.THydrogen-bonded Turntrans-99.5-19.2177.2179.30000112.8Q600Q600-V602 PolarHBondContact O-N 3.07Å
603A45.5Very low70Confident77 Ų7777.1 Ų77.164%0.63645%0.452SS*.SBendtrans-139.1101.5-175.600000111.8Q600Q600-A603 PolarHBondContact O-N 3.28Å; Q600-A603 VanDerWaalsContact O-N 3.16Å
604S48.8Very low69.8Low116 Ų11675 Ų7581%0.81144%0.436SS*.  trans65.579.6155-175.90000117.6
605L46.4Very low69.6Low117 Ų11778.4 Ų78.461%0.61345%0.454SS*.  trans-143.1139150-74176000109.9D607L605-D607 PolarHBondContact O-N 3.43Å
606D55.2Low69.7Low144 Ų14483 Ų8377%0.7748%0.478SS*.  trans-51.3126.3169-77.4-34.8000109.8R608 G609D606-R608 PolarHBondContact O-N 3.05Å; D606-G609 PolarHBondContact O-N 2.99Å
607D61.2Low69.9Low136 Ų13680.6 Ų80.673%0.72746%0.46SS*.Hα-helixtrans-53.3-22.6-174.2-145.410.4000113L605 A611L605-D607 PolarHBondContact O-N 3.43Å; D607-A611 WeakPolarHBondContact O-CB 3.38Å; D607-A611 PolarHBondContact O-N 3.4Å
608R65.4Low70.1Confident224 Ų22482.3 Ų82.385%0.84547%0.471SS*.Hα-helixtrans-74.2-39.7174.7-71.5-177177.3-175.9-0.5114D606 A611 Q612D606-R608 PolarHBondContact O-N 3.05Å; R608-A611 PolarHBondContact O-N 3.32Å; R608-Q612 PolarHBondContact O-N 3.29Å; R608-Q612 VanDerWaalsContact O-N 3.1Å
609G71.1Confident70.4Confident37 Ų3788.1 Ų88.138%0.38150%0.496SS..Hα-helixtrans-69.4-42.6-178.700000112D606 A611 Q612 Q613D606-G609 PolarHBondContact O-N 2.99Å; G609-A611 VanDerWaalsContact C-N 3.32Å; G609-A611 PolarHBondContact O-N 2.98Å; G609-Q612 PolarHBondContact O-N 3.44Å; G609-Q613 PolarHBondContact O-N 3.24Å
610A70.7Confident71.1Confident23 Ų2387.1 Ų87.119%0.1949%0.485CS..Hα-helixtrans-64.5-35.7175.600000112.5L597 L614L597-A610 HydrophobicContact CD1-CB 4.34Å; A610-L614 WeakPolarHBondContact O-CB 3.2Å; A610-L614 PolarHBondContact O-N 2.93Å
611A75.7Confident72.1Confident51 Ų5181.8 Ų81.842%0.42146%0.46SS..Hα-helixtrans-67.9-40.5175.200000112.4D607 R608 G609 L614 D615D607-A611 WeakPolarHBondContact O-CB 3.38Å; D607-A611 PolarHBondContact O-N 3.4Å; R608-A611 PolarHBondContact O-N 3.32Å; G609-A611 VanDerWaalsContact C-N 3.32Å; G609-A611 PolarHBondContact O-N 2.98Å; A611-L614 PolarHBondContact O-N 3.49Å; A611-D615 PolarHBondContact O-N 3.36Å
612Q81Confident73.6Confident137 Ų13785.4 Ų85.464%0.6446%0.462SS*.Hα-helixtrans-66.2-42.4176.3-172175.111.300111.8R608 G609 L614 D615 L616R608-Q612 PolarHBondContact O-N 3.29Å; R608-Q612 VanDerWaalsContact O-N 3.1Å; G609-Q612 PolarHBondContact O-N 3.44Å; Q612-L614 VanDerWaalsContact C-N 3.32Å; Q612-L614 PolarHBondContact O-N 2.92Å; Q612-D615 PolarHBondContact O-N 2.93Å; Q612-L616 WeakPolarHBondContact O-CG 3.48Å; Q612-L616 PolarHBondContact O-N 3.35Å; Q612-L616 VanDerWaalsContact O-N 3.09Å
613Q82.9Confident75.4Confident79 Ų7988.8 Ų88.837%0.36946%0.463SS..Hα-helixtrans-63.6-38.4175.6-168.9173.22.500111.8G609 L616 L617G609-Q613 PolarHBondContact O-N 3.24Å; Q613-L616 PolarHBondContact O-N 3.04Å; Q613-L617 WeakPolarHBondContact O-CG 3.44Å; Q613-L617 PolarHBondContact O-N 3Å
614L85.1Confident77.5Confident8 Ų885.6 Ų85.64%0.04244%0.435CS..Hα-helixtrans-63.3-42.4174.6-176.563.8000112.2V514 K515 L518 F594 L597 A610 A611 Q612 L617 V618V514-L614 HydrophobicContact CB-CD2 4.14Å; V514-L614 HydrophobicContact CG1-CD2 3.97Å; V514-L614 HydrophobicContact CG1-CG 4.24Å; K515-L614 HydrophobicContact CG-CD1 3.88Å; K515-L614 HydrophobicContact CG-CD2 3.72Å; K515-L614 HydrophobicContact CG-CG 4.48Å; L518-L614 HydrophobicContact CD2-CD1 4.18Å; F594-L614 HydrophobicContact CD2-CD1 4.48Å; F594-L614 HydrophobicContact CE2-CD1 4.28Å; L597-L614 HydrophobicContact CD2-CB 4.27Å; L597-L614 HydrophobicContact CD2-CD1 4.38Å; A610-L614 WeakPolarHBondContact O-CB 3.2Å; A610-L614 PolarHBondContact O-N 2.93Å; A611-L614 PolarHBondContact O-N 3.49Å; Q612-L614 VanDerWaalsContact C-N 3.32Å; Q612-L614 PolarHBondContact O-N 2.92Å; L614-L617 PolarHBondContact O-N 3.33Å; L614-V618 VanDerWaalsContact O-CG2 3.31Å; L614-V618 WeakPolarHBondContact O-CG2 3.48Å; L614-V618 PolarHBondContact O-N 2.97Å
615D85.6Confident79.3Confident71 Ų7180.2 Ų80.238%0.3840%0.397SS..Hα-helixtrans-63.5-40.7176.9-178.362.7000112.1A611 Q612 V618 K619A611-D615 PolarHBondContact O-N 3.36Å; Q612-D615 PolarHBondContact O-N 2.93Å; D615-V618 PolarHBondContact O-N 3.38Å; D615-K619 WeakPolarHBondContact O-CG 3.35Å; D615-K619 PolarHBondContact O-N 2.75Å; D615-K619 WeakPolarHBondContact OD1-CE 3.28Å; D615-K619 IonicContact OD1-NZ 3.65Å; D615-K619 WeakPolarHBondContact OD2-CE 3.41Å; D615-K619 IonicContact OD2-NZ 3.91Å; D615-K619 PolarHBondContact OD2-NZ 3.19Å
616L88.8Confident81.1Confident109 Ų10976.2 Ų76.257%0.57138%0.379SS*.Hα-helixtrans-61.6-44.3173.9-70174.8000111.9Q612 Q613 K619 G620Q612-L616 WeakPolarHBondContact O-CG 3.48Å; Q612-L616 PolarHBondContact O-N 3.35Å; Q612-L616 VanDerWaalsContact O-N 3.09Å; Q613-L616 PolarHBondContact O-N 3.04Å; L616-K619 PolarHBondContact O-N 3.32Å; L616-G620 PolarHBondContact O-N 3.3Å
617L89.4Confident82.6Confident12 Ų1272.8 Ų72.86%0.06336%0.36CS..Hα-helixtrans-63.4-41.7177-71.6171.9000112.2L518 L590 F594 L597 Q613 L614 F621L518-L617 HydrophobicContact CD2-CB 4.2Å; L590-L617 HydrophobicContact CD2-CD2 3.88Å; F594-L617 HydrophobicContact CB-CD1 4.21Å; L597-L617 HydrophobicContact CD2-CD1 3.91Å; Q613-L617 WeakPolarHBondContact O-CG 3.44Å; Q613-L617 PolarHBondContact O-N 3Å; L614-L617 PolarHBondContact O-N 3.33Å; L617-F621 VanDerWaalsContact O-CB 3.26Å; L617-F621 WeakPolarHBondContact O-CB 3.38Å; L617-F621 PolarHBondContact O-N 3.1Å
618V88.2Confident83.7Confident45 Ų4566.5 Ų66.527%0.27333%0.327SS..Hα-helixtrans-62-47.1176.6171.70000110.9V514 L518 L614 D615 R622V514-V618 HydrophobicContact CG1-CG2 4.01Å; L518-V618 HydrophobicContact CB-CG2 4.4Å; L518-V618 HydrophobicContact CD1-CG2 4.23Å; L518-V618 HydrophobicContact CD2-CG2 3.83Å; L518-V618 HydrophobicContact CG-CG2 4.38Å; L614-V618 VanDerWaalsContact O-CG2 3.31Å; L614-V618 WeakPolarHBondContact O-CG2 3.48Å; L614-V618 PolarHBondContact O-N 2.97Å; D615-V618 PolarHBondContact O-N 3.38Å; V618-R622 WeakPolarHBondContact O-CB 3.48Å; V618-R622 PolarHBondContact O-N 2.71Å
619K88.7Confident84.6Confident127 Ų12756.1 Ų56.155%0.55229%0.288SS*.Hα-helixtrans-65.3-45.4179.4-74.3171.5178.7165.80111.8D615 L616 R623D615-K619 WeakPolarHBondContact O-CG 3.35Å; D615-K619 PolarHBondContact O-N 2.75Å; D615-K619 WeakPolarHBondContact OD1-CE 3.28Å; D615-K619 IonicContact OD1-NZ 3.65Å; D615-K619 WeakPolarHBondContact OD2-CE 3.41Å; D615-K619 IonicContact OD2-NZ 3.91Å; D615-K619 PolarHBondContact OD2-NZ 3.19Å; L616-K619 PolarHBondContact O-N 3.32Å; K619-R623 WeakPolarHBondContact O-CB 3.38Å; K619-R623 PolarHBondContact O-N 3.1Å
620G88.7Confident85.1Confident17 Ų1760.5 Ų60.518%0.17530%0.296CS..Hα-helixtrans-59.1-52.5176.900000111.6L616 R622 R623 Q624L616-G620 PolarHBondContact O-N 3.3Å; G620-R622 PolarHBondContact O-N 3.47Å; G620-R623 WeakPolarHBondContact O-CB 3.46Å; G620-R623 PolarHBondContact O-N 3.01Å; G620-Q624 WeakPolarHBondContact O-CG 3.46Å; G620-Q624 PolarHBondContact O-N 3.31Å
621F90.2Very high85.6Confident1 Ų161.1 Ų61.10%0.00430%0.296CS..Hα-helixtrans-62.3-43-179.1-170.9-89.2000112.2L518 H521 M522 L525 I587 L617 R623 Q624 S625L518-F621 HydrophobicContact CD1-CB 4.09Å; L518-F621 HydrophobicContact CD1-CD1 4.24Å; L518-F621 HydrophobicContact CD1-CG 4.22Å; H521-F621 AromaticContact CD2-CD1 3.6Å; H521-F621 AromaticContact CD2-CE1 3.25Å; H521-F621 WeakPolarHBondContact CD2-CE1 3.35Å; H521-F621 AromaticContact CG-CE1 3.97Å; H521-F621 AromaticContact NE2-CE1 3.77Å; M522-F621 HydrophobicContact CB-CE2 4.2Å; M522-F621 HydrophobicContact CB-CZ 4.19Å; M522-F621 HydrophobicContact CE-CB 4.05Å; M522-F621 HydrophobicContact CE-CD2 3.51Å; M522-F621 HydrophobicContact CE-CE2 4.17Å; M522-F621 HydrophobicContact CE-CG 3.87Å; M522-F621 HydrophobicContact CG-CD1 4.39Å; M522-F621 HydrophobicContact CG-CD2 3.7Å; M522-F621 HydrophobicContact CG-CE1 4.17Å; M522-F621 HydrophobicContact CG-CE2 3.42Å; M522-F621 VanDerWaalsContact CG-CE2 3.42Å; M522-F621 HydrophobicContact CG-CG 4.17Å; M522-F621 HydrophobicContact CG-CZ 3.67Å; M522-F621 HydrophobicContact SD-CD2 4.47Å; L525-F621 HydrophobicContact CB-CZ 4.24Å; L525-F621 HydrophobicContact CD2-CE1 4.33Å; L525-F621 HydrophobicContact CD2-CE2 4.18Å; L525-F621 HydrophobicContact CD2-CZ 3.56Å; I587-F621 HydrophobicContact CG2-CE2 3.93Å; L617-F621 VanDerWaalsContact O-CB 3.26Å; L617-F621 WeakPolarHBondContact O-CB 3.38Å; L617-F621 PolarHBondContact O-N 3.1Å; F621-R623 VanDerWaalsContact C-N 3.34Å; F621-R623 PolarHBondContact O-N 3.49Å; F621-Q624 PolarHBondContact O-N 3.21Å; F621-S625 WeakPolarHBondContact O-CB 3.4Å; F621-S625 PolarHBondContact O-N 3.05Å
622R87.1Confident85.8Confident151 Ų15158.8 Ų58.857%0.5728%0.277SS*.Hα-helixtrans-62.9-42.3177.7-171.9177.7-179.3-170.3-0111.5V618 G620 S626V618-R622 WeakPolarHBondContact O-CB 3.48Å; V618-R622 PolarHBondContact O-N 2.71Å; G620-R622 PolarHBondContact O-N 3.47Å; R622-S626 VanDerWaalsContact O-CB 3.31Å; R622-S626 WeakPolarHBondContact O-CB 3.23Å; R622-S626 PolarHBondContact O-N 3.22Å; R622-S626 PolarHBondContact O-OG 3.22Å
623R88.6Confident85.8Confident183 Ų18352.8 Ų52.869%0.69125%0.25SC*.Hα-helixtrans-60.3-51.1176.6175.2-179.7166.5135.1-1.6110.7K619 G620 F621 S626 L627K619-R623 WeakPolarHBondContact O-CB 3.38Å; K619-R623 PolarHBondContact O-N 3.1Å; G620-R623 WeakPolarHBondContact O-CB 3.46Å; G620-R623 PolarHBondContact O-N 3.01Å; F621-R623 VanDerWaalsContact C-N 3.34Å; F621-R623 PolarHBondContact O-N 3.49Å; R623-S626 PolarHBondContact O-N 3.46Å; R623-L627 WeakPolarHBondContact O-CB 3.25Å; R623-L627 PolarHBondContact O-N 2.88Å
624Q87.9Confident85.5Confident9 Ų951.7 Ų51.74%0.04225%0.251CS..Hα-helixtrans-67.7-42.7-177.7-64.4-54.3-19.800112.5C583 E586 I587 L590 G620 F621 S626 L627 L628C583-Q624 PolarHBondContact SG-O 2.82Å; C583-Q624 PolarHBondContact SG-OE1 3.42Å; E586-Q624 HydrophobicContact CG-CG 4.18Å; E586-Q624 PolarHBondContact OE1-NE2 3.07Å; E586-Q624 PolarHBondContact OE2-NE2 3.33Å; I587-Q624 HydrophobicContact CD1-CB 4.19Å; I587-Q624 HydrophobicContact CG1-CB 3.71Å; L590-Q624 HydrophobicContact CD1-CG 4.05Å; G620-Q624 WeakPolarHBondContact O-CG 3.46Å; G620-Q624 PolarHBondContact O-N 3.31Å; F621-Q624 PolarHBondContact O-N 3.21Å; Q624-S626 VanDerWaalsContact C-N 3.29Å; Q624-S626 PolarHBondContact O-N 3.47Å; Q624-L627 WeakPolarHBondContact O-CB 3.36Å; Q624-L627 PolarHBondContact O-N 2.98Å; Q624-L627 VanDerWaalsContact O-N 3.13Å; Q624-L628 WeakPolarHBondContact O-CB 3.33Å; Q624-L628 PolarHBondContact O-N 2.96Å
625S86.6Confident84.9Confident3 Ų352.7 Ų52.72%0.02126%0.257CS..Hα-helixtrans-61.6-38175.9-173.90000112.3F621 F629 Y657F621-S625 WeakPolarHBondContact O-CB 3.4Å; F621-S625 PolarHBondContact O-N 3.05Å; S625-F629 PolarHBondContact O-N 2.99Å; S625-F629 VanDerWaalsContact O-N 3.13Å; S625-Y657 WeakPolarHBondContact OG-CE1 3.25Å; S625-Y657 VanDerWaalsContact OG-CZ 3.25Å; S625-Y657 PolarHBondContact OG-OH 3.29Å
626S85Confident84.1Confident34 Ų3452.7 Ų52.724%0.23825%0.252CS..Hα-helixtrans-69.5-37.6174.3-55.90000112.4R622 R623 Q624 K630R622-S626 VanDerWaalsContact O-CB 3.31Å; R622-S626 WeakPolarHBondContact O-CB 3.23Å; R622-S626 PolarHBondContact O-N 3.22Å; R622-S626 PolarHBondContact O-OG 3.22Å; R623-S626 PolarHBondContact O-N 3.46Å; Q624-S626 VanDerWaalsContact C-N 3.29Å; Q624-S626 PolarHBondContact O-N 3.47Å; S626-K630 VanDerWaalsContact O-CG 3.31Å; S626-K630 WeakPolarHBondContact O-CG 3.29Å; S626-K630 PolarHBondContact O-N 3.1Å; S626-K630 VanDerWaalsContact O-N 3.11Å
627L86.1Confident83Confident71 Ų7152.6 Ų52.637%0.37225%0.252SS..Hα-helixtrans-65.5-48.8176.6179.461.5000110.8R623 Q624 F629 K630 I631R623-L627 WeakPolarHBondContact O-CB 3.25Å; R623-L627 PolarHBondContact O-N 2.88Å; Q624-L627 WeakPolarHBondContact O-CB 3.36Å; Q624-L627 PolarHBondContact O-N 2.98Å; Q624-L627 VanDerWaalsContact O-N 3.13Å; L627-F629 VanDerWaalsContact C-N 3.31Å; L627-F629 PolarHBondContact O-N 3.28Å; L627-K630 PolarHBondContact O-N 3.35Å; L627-K630 VanDerWaalsContact O-N 3.16Å; L627-I631 HydrophobicContact CD1-CD1 3.86Å; L627-I631 HydrophobicContact CD1-CG1 4.11Å; L627-I631 HydrophobicContact CD2-CD1 4.42Å; L627-I631 HydrophobicContact CG-CD1 3.75Å; L627-I631 HydrophobicContact CG-CG1 4.38Å; L627-I631 WeakPolarHBondContact O-CG1 3.46Å; L627-I631 PolarHBondContact O-N 3.33Å
628L85.6Confident81.5Confident5 Ų559.5 Ų59.53%0.02628%0.284CS..Hα-helixtrans-53-50.2175.6-177.966000110.6L525 V580 L584 I587 Q624 K630 I631 L632L525-L628 HydrophobicContact CD1-CD2 4.38Å; V580-L628 HydrophobicContact CG1-CD1 3.88Å; L584-L628 HydrophobicContact CD2-CD1 3.87Å; L584-L628 HydrophobicContact CD2-CD2 3.61Å; L584-L628 HydrophobicContact CD2-CG 4.41Å; L584-L628 HydrophobicContact CG-CD1 3.95Å; I587-L628 HydrophobicContact CD1-CB 4.28Å; I587-L628 HydrophobicContact CD1-CD2 3.85Å; Q624-L628 WeakPolarHBondContact O-CB 3.33Å; Q624-L628 PolarHBondContact O-N 2.96Å; L628-K630 PolarHBondContact O-N 2.91Å; L628-I631 PolarHBondContact O-N 3.07Å; L628-L632 HydrophobicContact CD1-CD1 3.94Å; L628-L632 HydrophobicContact CD1-CG 4.11Å; L628-L632 HydrophobicContact CD2-CD1 4.47Å; L628-L632 HydrophobicContact CG-CD1 3.83Å; L628-L632 HydrophobicContact CG-CG 4.32Å; L628-L632 WeakPolarHBondContact O-CB 3.35Å; L628-L632 VanDerWaalsContact O-CG 3.28Å; L628-L632 WeakPolarHBondContact O-CG 3.49Å; L628-L632 PolarHBondContact O-N 2.72Å
629F82.9Confident80Confident6 Ų662.9 Ų62.93%0.02630%0.296CS..Hα-helixtrans-61-41.7179.8-171.8-97.7000112.8S625 L627 S633 L648 D652 Y657 L664S625-F629 PolarHBondContact O-N 2.99Å; S625-F629 VanDerWaalsContact O-N 3.13Å; L627-F629 VanDerWaalsContact C-N 3.31Å; L627-F629 PolarHBondContact O-N 3.28Å; F629-S633 VanDerWaalsContact O-CB 3.25Å; F629-S633 WeakPolarHBondContact O-CB 3.47Å; F629-S633 PolarHBondContact O-N 3.15Å; F629-S633 PolarHBondContact O-OG 2.85Å; F629-L648 HydrophobicContact CD2-CD2 3.83Å; F629-L648 HydrophobicContact CE2-CD2 3.69Å; F629-L648 HydrophobicContact CZ-CD2 4.44Å; F629-D652 HydrophobicContact CE2-CB 3.68Å; F629-D652 HydrophobicContact CZ-CB 3.87Å; F629-D652 VanDerWaalsContact CZ-OD2 3.24Å; F629-D652 WeakPolarHBondContact CZ-OD2 3.48Å; F629-Y657 HydrophobicContact CD2-CD2 4.41Å; F629-Y657 HydrophobicContact CD2-CG 4.26Å; F629-Y657 HydrophobicContact CG-CG 4.22Å; F629-L664 HydrophobicContact CE2-CD2 4.47Å; F629-L664 HydrophobicContact CZ-CD2 3.79Å; F629-L664 HydrophobicContact CZ-CG 4.1Å
630K82.9Confident78.3Confident128 Ų12865.8 Ų65.856%0.55732%0.316SS*.Hα-helixtrans-65.1-43.3176.7-74.1175.5-177.6-175.50112.2S626 L627 L628 S633 S634S626-K630 VanDerWaalsContact O-CG 3.31Å; S626-K630 WeakPolarHBondContact O-CG 3.29Å; S626-K630 PolarHBondContact O-N 3.1Å; S626-K630 VanDerWaalsContact O-N 3.11Å; L627-K630 PolarHBondContact O-N 3.35Å; L627-K630 VanDerWaalsContact O-N 3.16Å; L628-K630 PolarHBondContact O-N 2.91Å; K630-S633 PolarHBondContact O-N 3.4Å; K630-S634 WeakPolarHBondContact O-CB 3.38Å; K630-S634 PolarHBondContact O-N 3.07Å
631I81.8Confident76.9Confident37 Ų3766.9 Ų66.919%0.1932%0.318CS..Hα-helixtrans-64.6-51178.3-64.1169000109.4P579 V580 L627 L628 S633 S634 V635P579-I631 HydrophobicContact CB-CD1 4.31Å; V580-I631 HydrophobicContact CG2-CG2 3.48Å; V580-I631 VanDerWaalsContact CG2-CG2 3.48Å; L627-I631 HydrophobicContact CD1-CD1 3.86Å; L627-I631 HydrophobicContact CD1-CG1 4.11Å; L627-I631 HydrophobicContact CD2-CD1 4.42Å; L627-I631 HydrophobicContact CG-CD1 3.75Å; L627-I631 HydrophobicContact CG-CG1 4.38Å; L627-I631 WeakPolarHBondContact O-CG1 3.46Å; L627-I631 PolarHBondContact O-N 3.33Å; L628-I631 PolarHBondContact O-N 3.07Å; I631-S633 VanDerWaalsContact C-N 3.3Å; I631-S633 PolarHBondContact O-N 2.9Å; I631-S634 WeakPolarHBondContact O-CA 3.38Å; I631-S634 WeakPolarHBondContact O-CB 3.49Å; I631-S634 PolarHBondContact O-N 3.34Å; I631-V635 HydrophobicContact CG2-CG2 4.29Å; I631-V635 WeakPolarHBondContact O-CG2 3.44Å; I631-V635 PolarHBondContact O-N 3.43Å
632L79.5Confident75.8Confident2 Ų270.9 Ų70.91%0.0135%0.346CS..Hα-helixtrans-60.7-38.7179.5-67.7177.8000111.9F574 V580 L628 S634 V635 R636 L644 L647 L648 L651F574-L632 HydrophobicContact CD1-CD2 4.35Å; F574-L632 HydrophobicContact CE1-CD2 3.92Å; F574-L632 HydrophobicContact CE2-CD2 4.28Å; F574-L632 HydrophobicContact CZ-CD2 3.89Å; V580-L632 HydrophobicContact CG1-CD2 4.08Å; V580-L632 HydrophobicContact CG2-CD2 4.36Å; L628-L632 HydrophobicContact CD1-CD1 3.94Å; L628-L632 HydrophobicContact CD1-CG 4.11Å; L628-L632 HydrophobicContact CD2-CD1 4.47Å; L628-L632 HydrophobicContact CG-CD1 3.83Å; L628-L632 HydrophobicContact CG-CG 4.32Å; L628-L632 WeakPolarHBondContact O-CB 3.35Å; L628-L632 VanDerWaalsContact O-CG 3.28Å; L628-L632 WeakPolarHBondContact O-CG 3.49Å; L628-L632 PolarHBondContact O-N 2.72Å; L632-S634 VanDerWaalsContact C-N 3.35Å; L632-S634 PolarHBondContact O-N 3.11Å; L632-V635 PolarHBondContact O-N 2.86Å; L632-R636 PolarHBondContact O-N 3.47Å; L632-L644 HydrophobicContact CB-CD1 4.28Å; L632-L644 HydrophobicContact CD2-CD1 3.87Å; L632-L647 HydrophobicContact CD1-CD2 4.31Å; L632-L648 HydrophobicContact CB-CD1 4.48Å; L632-L648 HydrophobicContact CB-CD2 3.63Å; L632-L648 HydrophobicContact CB-CG 4.24Å; L632-L651 HydrophobicContact CD1-CD1 4.31Å
633S79.6Confident74.8Confident10 Ų1065.8 Ų65.87%0.0733%0.33CS..Hα-helixtrans-65.1-36.7174.4-61.40000112.5F629 K630 I631 N637F629-S633 VanDerWaalsContact O-CB 3.25Å; F629-S633 WeakPolarHBondContact O-CB 3.47Å; F629-S633 PolarHBondContact O-N 3.15Å; F629-S633 PolarHBondContact O-OG 2.85Å; K630-S633 PolarHBondContact O-N 3.4Å; I631-S633 VanDerWaalsContact C-N 3.3Å; I631-S633 PolarHBondContact O-N 2.9Å; S633-N637 PolarHBondContact O-N 3.35Å; S633-N637 PolarHBondContact O-ND2 3.28Å; S633-N637 PolarHBondContact O-OD1 2.88Å
634S77.1Confident74.1Confident57 Ų5757.2 Ų57.240%0.39930%0.298SS..Hα-helixtrans-67.3-42173.3-1740000111.9K630 I631 L632 R636 N637 H638K630-S634 WeakPolarHBondContact O-CB 3.38Å; K630-S634 PolarHBondContact O-N 3.07Å; I631-S634 WeakPolarHBondContact O-CA 3.38Å; I631-S634 WeakPolarHBondContact O-CB 3.49Å; I631-S634 PolarHBondContact O-N 3.34Å; L632-S634 VanDerWaalsContact C-N 3.35Å; L632-S634 PolarHBondContact O-N 3.11Å; S634-R636 VanDerWaalsContact C-N 3.32Å; S634-R636 PolarHBondContact O-N 3.49Å; S634-N637 WeakPolarHBondContact O-CB 3.42Å; S634-N637 PolarHBondContact O-N 3.25Å; S634-N637 VanDerWaalsContact O-N 3.11Å; S634-H638 PolarHBondContact O-N 2.94Å; S634-H638 PolarHBondContact O-ND1 3.43Å
635V71.8Confident73.2Confident28 Ų2858.1 Ų58.117%0.1731%0.307CS..Hα-helixtrans-62.2-40.9177.3175.60000110.6I631 L632 N637 H638 Q639 L644I631-V635 HydrophobicContact CG2-CG2 4.29Å; I631-V635 WeakPolarHBondContact O-CG2 3.44Å; I631-V635 PolarHBondContact O-N 3.43Å; L632-V635 PolarHBondContact O-N 2.86Å; V635-N637 VanDerWaalsContact C-N 3.27Å; V635-N637 PolarHBondContact O-N 3.45Å; V635-H638 PolarHBondContact O-N 3.04Å; V635-H638 VanDerWaalsContact O-N 3.09Å; V635-Q639 PolarHBondContact O-N 3.08Å; V635-L644 HydrophobicContact CB-CD2 4Å; V635-L644 HydrophobicContact CG1-CD2 3.61Å
636R69.7Low72.6Confident71 Ų7162.1 Ų62.127%0.26833%0.325SS..Hα-helixtrans-56.6-38.6172.8-177.8-171.8174.9-139.6-5.8112.8L632 S634 H638 L644 L648 G665L632-R636 PolarHBondContact O-N 3.47Å; S634-R636 VanDerWaalsContact C-N 3.32Å; S634-R636 PolarHBondContact O-N 3.49Å; R636-H638 PolarHBondContact O-N 3.14Å; R636-L644 HydrophobicContact CB-CD2 4.28Å; R636-L648 HydrophobicContact CB-CD1 3.84Å; R636-L648 HydrophobicContact CG-CD1 4.33Å; R636-G665 PolarHBondContact NH1-O 3.46Å
637N64.9Low72.3Confident107 Ų10760.6 Ų60.657%0.57232%0.315SS*.Hα-helixtrans-68.8-20.7-179.2-64.1-19.1000112.8S633 S634 V635S633-N637 PolarHBondContact O-N 3.35Å; S633-N637 PolarHBondContact O-ND2 3.28Å; S633-N637 PolarHBondContact O-OD1 2.88Å; S634-N637 WeakPolarHBondContact O-CB 3.42Å; S634-N637 PolarHBondContact O-N 3.25Å; S634-N637 VanDerWaalsContact O-N 3.11Å; V635-N637 VanDerWaalsContact C-N 3.27Å; V635-N637 PolarHBondContact O-N 3.45Å
638H58.6Low71.9Confident158 Ų15857.3 Ų57.373%0.73130%0.297SS*.Hα-helixtrans-103-23.2-178.6-65.882.3000113.3S634 V635 R636S634-H638 PolarHBondContact O-N 2.94Å; S634-H638 PolarHBondContact O-ND1 3.43Å; V635-H638 PolarHBondContact O-N 3.04Å; V635-H638 VanDerWaalsContact O-N 3.09Å; R636-H638 PolarHBondContact O-N 3.14Å
639Q57.3Low71.5Confident116 Ų11661.6 Ų61.654%0.54232%0.32SS..  trans-127.6121.1178.5-67-175.7-14.700110.1V635 N641V635-Q639 PolarHBondContact O-N 3.08Å; Q639-N641 PolarHBondContact O-N 2.86Å
640I52.9Low71.2Confident187 Ų18763.8 Ų63.896%0.95933%0.328SS*.  trans-74.359.6172.1-47.8171.7000108.6
641N59.9Low70.8Confident41 Ų4158.1 Ų58.122%0.21930%0.304CS..  trans-92.3110.1173.2-168.1-18.1000108.5Q639 D643 L644 A645Q639-N641 PolarHBondContact O-N 2.86Å; N641-D643 PolarHBondContact O-N 3.08Å; N641-D643 PolarHBondContact OD1-N 3.25Å; N641-L644 HydrophobicContact CB-CB 4.23Å; N641-L644 PolarHBondContact O-N 2.91Å; N641-A645 PolarHBondContact O-N 2.97Å
642S65.4Low70.3Confident84 Ų8456.7 Ų56.759%0.58730%0.296SS*.Hα-helixtrans-60.9-33.6-177-155.10000111.7A645 Q646S642-A645 WeakPolarHBondContact O-CB 3.4Å; S642-A645 PolarHBondContact O-N 2.98Å; S642-Q646 PolarHBondContact O-N 2.91Å; S642-Q646 VanDerWaalsContact O-N 3.13Å
643D67.1Low69.6Low44 Ų4465.3 Ų65.324%0.23533%0.33CS..Hα-helixtrans-73.8-37-175.8-53.8-42.2000111.5Y532 D536 N641 A645 Q646 L647Y532-D643 HydrophobicContact CE2-CB 4.11Å; Y532-D643 WeakPolarHBondContact CE2-O 3.32Å; D536-D643 HydrophobicContact CB-CB 4.47Å; N641-D643 PolarHBondContact O-N 3.08Å; N641-D643 PolarHBondContact OD1-N 3.25Å; D643-A645 VanDerWaalsContact C-N 3.3Å; D643-A645 PolarHBondContact O-N 3.47Å; D643-Q646 PolarHBondContact O-N 3.45Å; D643-L647 PolarHBondContact O-N 2.81Å
644L73.4Confident68.7Low3 Ų370.4 Ų70.42%0.01636%0.356CS..Hα-helixtrans-64.6-36.3173.1176.761.3000111.7F574 L632 V635 R636 N641 Q646 L647 L648F574-L644 HydrophobicContact CE1-CD1 4.03Å; F574-L644 HydrophobicContact CZ-CD1 3.77Å; L632-L644 HydrophobicContact CB-CD1 4.28Å; L632-L644 HydrophobicContact CD2-CD1 3.87Å; V635-L644 HydrophobicContact CB-CD2 4Å; V635-L644 HydrophobicContact CG1-CD2 3.61Å; R636-L644 HydrophobicContact CB-CD2 4.28Å; N641-L644 HydrophobicContact CB-CB 4.23Å; N641-L644 PolarHBondContact O-N 2.91Å; L644-Q646 VanDerWaalsContact C-N 3.34Å; L644-L647 HydrophobicContact CD1-CD2 4.48Å; L644-L647 PolarHBondContact O-N 3.21Å; L644-L648 HydrophobicContact CG-CD1 4.31Å; L644-L648 WeakPolarHBondContact O-CG 3.29Å; L644-L648 PolarHBondContact O-N 3.13Å
645A69.6Low67.9Low29 Ų2974 Ų7424%0.2437%0.365CS..Hα-helixtrans-66.1-38.1176.100000111.7N641 S642 D643 L648 L649N641-A645 PolarHBondContact O-N 2.97Å; S642-A645 WeakPolarHBondContact O-CB 3.4Å; S642-A645 PolarHBondContact O-N 2.98Å; D643-A645 VanDerWaalsContact C-N 3.3Å; D643-A645 PolarHBondContact O-N 3.47Å; A645-L648 PolarHBondContact O-N 2.81Å; A645-L649 WeakPolarHBondContact O-CB 3.49Å; A645-L649 PolarHBondContact O-N 3.39Å
646Q74Confident67.5Low87 Ų8778.2 Ų78.241%0.40738%0.378SS..Hα-helixtrans-64.7-42.8173.7-70.2-69.8-13.500111.9S642 D643 L644 L649 R650S642-Q646 PolarHBondContact O-N 2.91Å; S642-Q646 VanDerWaalsContact O-N 3.13Å; D643-Q646 PolarHBondContact O-N 3.45Å; L644-Q646 VanDerWaalsContact C-N 3.34Å; Q646-L649 PolarHBondContact O-N 2.87Å; Q646-R650 VanDerWaalsContact O-CG 3.31Å; Q646-R650 WeakPolarHBondContact O-CG 3.45Å; Q646-R650 PolarHBondContact O-N 2.84Å
647L78.3Confident67.2Low2 Ų275.3 Ų75.31%0.0137%0.368CS..Hα-helixtrans-59.3-50173.9173.962.4000111.4Y532 F574 L632 D643 L644 L649 R650 L651Y532-L647 HydrophobicContact CD1-CD1 4.49Å; Y532-L647 HydrophobicContact CD1-CD2 3.78Å; Y532-L647 HydrophobicContact CD2-CB 3.62Å; Y532-L647 HydrophobicContact CD2-CD1 4.41Å; Y532-L647 HydrophobicContact CD2-CD2 4.21Å; Y532-L647 HydrophobicContact CD2-CG 4.27Å; Y532-L647 HydrophobicContact CE1-CD2 3.96Å; Y532-L647 HydrophobicContact CE2-CB 3.95Å; Y532-L647 HydrophobicContact CE2-CD2 4.39Å; Y532-L647 HydrophobicContact CG-CB 4.02Å; Y532-L647 HydrophobicContact CG-CD1 3.96Å; Y532-L647 HydrophobicContact CG-CD2 3.9Å; Y532-L647 HydrophobicContact CG-CG 4.16Å; F574-L647 HydrophobicContact CE2-CD2 3.78Å; F574-L647 HydrophobicContact CZ-CD2 3.94Å; L632-L647 HydrophobicContact CD1-CD2 4.31Å; D643-L647 PolarHBondContact O-N 2.81Å; L644-L647 HydrophobicContact CD1-CD2 4.48Å; L644-L647 PolarHBondContact O-N 3.21Å; L647-L649 VanDerWaalsContact C-N 3.27Å; L647-L649 PolarHBondContact O-N 3.38Å; L647-R650 PolarHBondContact O-N 3.09Å; L647-R650 VanDerWaalsContact O-N 3.14Å; L647-L651 HydrophobicContact CD1-CD1 3.86Å; L647-L651 HydrophobicContact CD1-CD2 4.29Å; L647-L651 HydrophobicContact CD1-CG 3.81Å; L647-L651 HydrophobicContact CD2-CD1 4.49Å; L647-L651 HydrophobicContact CG-CD1 3.89Å; L647-L651 HydrophobicContact CG-CG 4.23Å; L647-L651 WeakPolarHBondContact O-CB 3.32Å; L647-L651 VanDerWaalsContact O-CG 3.29Å; L647-L651 WeakPolarHBondContact O-CG 3.49Å; L647-L651 PolarHBondContact O-N 3.01Å
648L77.8Confident67Low1 Ų172.5 Ų72.51%0.00535%0.354CS..Hα-helixtrans-58.9-40178.5-78.6169.2000112.1F629 L632 R636 L644 A645 D652F629-L648 HydrophobicContact CD2-CD2 3.83Å; F629-L648 HydrophobicContact CE2-CD2 3.69Å; F629-L648 HydrophobicContact CZ-CD2 4.44Å; L632-L648 HydrophobicContact CB-CD1 4.48Å; L632-L648 HydrophobicContact CB-CD2 3.63Å; L632-L648 HydrophobicContact CB-CG 4.24Å; R636-L648 HydrophobicContact CB-CD1 3.84Å; R636-L648 HydrophobicContact CG-CD1 4.33Å; L644-L648 HydrophobicContact CG-CD1 4.31Å; L644-L648 WeakPolarHBondContact O-CG 3.29Å; L644-L648 PolarHBondContact O-N 3.13Å; A645-L648 PolarHBondContact O-N 2.81Å; L648-D652 WeakPolarHBondContact O-CB 3.47Å; L648-D652 PolarHBondContact O-N 3.44Å
649L76.8Confident66.9Low95 Ų9572.7 Ų72.750%0.49736%0.356SS..Hα-helixtrans-64.5-41.8175.8-172.275.4000111.8A645 Q646 L647 D652 Y653A645-L649 WeakPolarHBondContact O-CB 3.49Å; A645-L649 PolarHBondContact O-N 3.39Å; Q646-L649 PolarHBondContact O-N 2.87Å; L647-L649 VanDerWaalsContact C-N 3.27Å; L647-L649 PolarHBondContact O-N 3.38Å; L649-D652 CarbonylContact O-C 3.58Å; L649-D652 PolarHBondContact O-N 3.25Å; L649-Y653 VanDerWaalsContact O-CA 3.26Å; L649-Y653 WeakPolarHBondContact O-CA 3.28Å; L649-Y653 PolarHBondContact O-N 3.47Å
650R75.9Confident66.6Low53 Ų5369.9 Ų69.920%0.235%0.352CS..Hα-helixtrans-67.9-43.7177.7-70.5175.8-163.9160.24.7111.8D536 Q646 L647 D652 Y653D536-R650 IonicContact OD1-CZ 2.89Å; D536-R650 IonicContact OD1-NH1 3.23Å; D536-R650 PolarHBondContact OD1-NH1 3.15Å; D536-R650 IonicContact OD1-NH2 2.74Å; D536-R650 PolarHBondContact OD1-NH2 2.94Å; D536-R650 IonicContact OD2-CZ 3.27Å; D536-R650 VanDerWaalsContact OD2-CZ 3.23Å; D536-R650 IonicContact OD2-NH1 2.71Å; D536-R650 PolarHBondContact OD2-NH1 3.38Å; D536-R650 IonicContact OD2-NH2 3.58Å; D536-R650 PolarHBondContact OD2-NH2 3.12Å; Q646-R650 VanDerWaalsContact O-CG 3.31Å; Q646-R650 WeakPolarHBondContact O-CG 3.45Å; Q646-R650 PolarHBondContact O-N 2.84Å; L647-R650 PolarHBondContact O-N 3.09Å; L647-R650 VanDerWaalsContact O-N 3.14Å; R650-D652 VanDerWaalsContact C-N 3.26Å; R650-D652 PolarHBondContact O-N 3.32Å; R650-Y653 PolarHBondContact O-N 3.28Å
651L75.8Confident66.4Low9 Ų963.6 Ų63.65%0.04733%0.334CS..Hα-helixtrans-61.9-34.8175.9-68.6-179.8000111.9L525 N528 L632 L647 Y657L525-L651 HydrophobicContact CD1-CD2 3.55Å; N528-L651 HydrophobicContact CB-CD2 3.84Å; L632-L651 HydrophobicContact CD1-CD1 4.31Å; L647-L651 HydrophobicContact CD1-CD1 3.86Å; L647-L651 HydrophobicContact CD1-CD2 4.29Å; L647-L651 HydrophobicContact CD1-CG 3.81Å; L647-L651 HydrophobicContact CD2-CD1 4.49Å; L647-L651 HydrophobicContact CG-CD1 3.89Å; L647-L651 HydrophobicContact CG-CG 4.23Å; L647-L651 WeakPolarHBondContact O-CB 3.32Å; L647-L651 VanDerWaalsContact O-CG 3.29Å; L647-L651 WeakPolarHBondContact O-CG 3.49Å; L647-L651 PolarHBondContact O-N 3.01Å; L651-Y657 WeakPolarHBondContact O-CD2 3.45Å; L651-Y657 VanDerWaalsContact O-CE2 3.27Å; L651-Y657 WeakPolarHBondContact O-CE2 3.42Å
652D71.8Confident66Low7 Ų762 Ų624%0.03733%0.327CS..THydrogen-bonded Turntrans-108.221.8-178.9-151.815000113.9F629 L648 L649 R650 N654 K655 Y656 Y657 T658 L664F629-D652 HydrophobicContact CE2-CB 3.68Å; F629-D652 HydrophobicContact CZ-CB 3.87Å; F629-D652 VanDerWaalsContact CZ-OD2 3.24Å; F629-D652 WeakPolarHBondContact CZ-OD2 3.48Å; L648-D652 WeakPolarHBondContact O-CB 3.47Å; L648-D652 PolarHBondContact O-N 3.44Å; L649-D652 CarbonylContact O-C 3.58Å; L649-D652 PolarHBondContact O-N 3.25Å; R650-D652 VanDerWaalsContact C-N 3.26Å; R650-D652 PolarHBondContact O-N 3.32Å; D652-N654 PolarHBondContact O-N 3.42Å; D652-N654 VanDerWaalsContact O-N 3.11Å; D652-K655 WeakPolarHBondContact O-CA 3.4Å; D652-K655 PolarHBondContact O-N 3.07Å; D652-K655 WeakPolarHBondContact OD1-CA 3.5Å; D652-Y656 PolarHBondContact OD1-N 3.34Å; D652-Y656 VanDerWaalsContact OD1-N 3.13Å; D652-Y657 PolarHBondContact OD1-N 2.91Å; D652-T658 VanDerWaalsContact CG-OG1 3.29Å; D652-T658 PolarHBondContact OD1-N 3.5Å; D652-T658 VanDerWaalsContact OD1-N 3.12Å; D652-T658 PolarHBondContact OD2-N 2.84Å; D652-T658 VanDerWaalsContact OD2-N 3.15Å; D652-T658 PolarHBondContact OD2-OG1 3.01Å; D652-L664 HydrophobicContact CB-CD1 4.48Å
653Y63.1Low65.2Low183 Ų18363.7 Ų63.772%0.71833%0.334SS*.THydrogen-bonded Turntrans-56.6-34.3-176.2-178.9-99000112.4L649 R650L649-Y653 VanDerWaalsContact O-CA 3.26Å; L649-Y653 WeakPolarHBondContact O-CA 3.28Å; L649-Y653 PolarHBondContact O-N 3.47Å; R650-Y653 PolarHBondContact O-N 3.28Å
654N61.1Low64.4Low116 Ų11664.5 Ų64.562%0.6234%0.338SS*.THydrogen-bonded Turntrans-89.68.4176.5-68.1-37.3000114.3D652 Y656D652-N654 PolarHBondContact O-N 3.42Å; D652-N654 VanDerWaalsContact O-N 3.11Å; N654-Y656 PolarHBondContact O-N 3.11Å; N654-Y656 VanDerWaalsContact O-N 3.11Å
655K60.4Low63.1Low132 Ų13265.4 Ų65.457%0.57435%0.347SS*.SBendtrans54.621.4-171.4-59-173.4178.3-1770114.4D652 Y657 T658 Q659D652-K655 WeakPolarHBondContact O-CA 3.4Å; D652-K655 PolarHBondContact O-N 3.07Å; D652-K655 WeakPolarHBondContact OD1-CA 3.5Å; K655-Y657 VanDerWaalsContact C-N 3.28Å; K655-Y657 PolarHBondContact O-N 3.17Å; K655-T658 PolarHBondContact O-N 3.33Å; K655-Q659 HydrophobicContact CB-CG 4.41Å; K655-Q659 WeakPolarHBondContact O-CB 3.42Å; K655-Q659 VanDerWaalsContact O-CG 3.25Å; K655-Q659 WeakPolarHBondContact O-CG 3.4Å; K655-Q659 PolarHBondContact O-N 2.88Å
656Y64Low61.2Low117 Ų11767.6 Ų67.646%0.45937%0.373SS..Hα-helixtrans-62.4-38.7-175.4-176.4-96.2000111.4H521 D652 N654H521-Y656 AromaticContact CE1-CD1 3.84Å; H521-Y656 AromaticContact CE1-CE1 3.45Å; H521-Y656 VanDerWaalsContact CE1-CE1 3.45Å; H521-Y656 WeakPolarHBondContact CE1-CE1 3.38Å; H521-Y656 AromaticContact NE2-CE1 3.76Å; D652-Y656 PolarHBondContact OD1-N 3.34Å; D652-Y656 VanDerWaalsContact OD1-N 3.13Å; N654-Y656 PolarHBondContact O-N 3.11Å; N654-Y656 VanDerWaalsContact O-N 3.11Å
657Y62.7Low59.2Low11 Ų1173.2 Ų73.24%0.04341%0.413CS..Hα-helixtrans-87.1-32.5178.6-59.7-77.2000111.3H521 S625 F629 L651 D652 K655 Q659 A660 G662H521-Y657 AromaticContact CE1-CZ 3.66Å; H521-Y657 PolarHBondContact CE1-OH 3.29Å; H521-Y657 PolarHBondContact NE2-OH 3.13Å; S625-Y657 WeakPolarHBondContact OG-CE1 3.25Å; S625-Y657 VanDerWaalsContact OG-CZ 3.25Å; S625-Y657 PolarHBondContact OG-OH 3.29Å; F629-Y657 HydrophobicContact CD2-CD2 4.41Å; F629-Y657 HydrophobicContact CD2-CG 4.26Å; F629-Y657 HydrophobicContact CG-CG 4.22Å; L651-Y657 WeakPolarHBondContact O-CD2 3.45Å; L651-Y657 VanDerWaalsContact O-CE2 3.27Å; L651-Y657 WeakPolarHBondContact O-CE2 3.42Å; D652-Y657 PolarHBondContact OD1-N 2.91Å; K655-Y657 VanDerWaalsContact C-N 3.28Å; K655-Y657 PolarHBondContact O-N 3.17Å; Y657-Q659 VanDerWaalsContact C-N 3.31Å; Y657-Q659 PolarHBondContact O-N 3.38Å; Y657-A660 PolarHBondContact O-N 2.86Å; Y657-G662 PolarHBondContact O-N 3.12Å
658T60.4Low58.3Low48 Ų4876.8 Ų76.829%0.29443%0.433SS..Hα-helixtrans-58.1-44.9172.2-39.70000111.6D652 K655 A660 G661 G662D652-T658 VanDerWaalsContact CG-OG1 3.29Å; D652-T658 PolarHBondContact OD1-N 3.5Å; D652-T658 VanDerWaalsContact OD1-N 3.12Å; D652-T658 PolarHBondContact OD2-N 2.84Å; D652-T658 VanDerWaalsContact OD2-N 3.15Å; D652-T658 PolarHBondContact OD2-OG1 3.01Å; K655-T658 PolarHBondContact O-N 3.33Å; T658-A660 VanDerWaalsContact C-N 3.28Å; T658-A660 PolarHBondContact O-N 3.01Å; T658-G661 PolarHBondContact O-N 3.47Å; T658-G662 VanDerWaalsContact CA-O 3.23Å; T658-G662 WeakPolarHBondContact CA-O 3.5Å; T658-G662 WeakPolarHBondContact CG2-O 3.38Å
659Q56.1Low57.3Low162 Ų16280.7 Ų80.776%0.75746%0.455SS*.Hα-helixtrans-70.8-22.2-179.6-71.1176.711.200113.4K655 Y657 G661K655-Q659 HydrophobicContact CB-CG 4.41Å; K655-Q659 WeakPolarHBondContact O-CB 3.42Å; K655-Q659 VanDerWaalsContact O-CG 3.25Å; K655-Q659 WeakPolarHBondContact O-CG 3.4Å; K655-Q659 PolarHBondContact O-N 2.88Å; Y657-Q659 VanDerWaalsContact C-N 3.31Å; Y657-Q659 PolarHBondContact O-N 3.38Å; Q659-G661 VanDerWaalsContact C-N 3.26Å; Q659-G661 PolarHBondContact O-N 3.12Å
660A52.1Low56.2Low57 Ų5779.9 Ų79.947%0.47145%0.453SS..THydrogen-bonded Turntrans-86.29.8176.200000113.6Y657 T658Y657-A660 PolarHBondContact O-N 2.86Å; T658-A660 VanDerWaalsContact C-N 3.28Å; T658-A660 PolarHBondContact O-N 3.01Å
661G49Very low55Low55 Ų5581.5 Ų81.557%0.56747%0.468SS*.THydrogen-bonded Turntrans96.515177.900000114.9T658 Q659T658-G661 PolarHBondContact O-N 3.47Å; Q659-G661 VanDerWaalsContact C-N 3.26Å; Q659-G661 PolarHBondContact O-N 3.12Å
662G52.1Low53.7Low8 Ų886.1 Ų86.18%0.08249%0.494CS..  trans-80.6124.8165.800000110.3Y657 T658Y657-G662 PolarHBondContact O-N 3.12Å; T658-G662 VanDerWaalsContact CA-O 3.23Å; T658-G662 WeakPolarHBondContact CA-O 3.5Å; T658-G662 WeakPolarHBondContact CG2-O 3.38Å
663T47.8Very low52.5Low119 Ų11991.3 Ų91.373%0.7352%0.524SS*.  trans-95.6110.6171.247.10000108.7G665T663-G665 PolarHBondContact O-N 3.34Å; T663-G665 VanDerWaalsContact O-N 3.11Å
664L50.6Low51.7Low61 Ų6184.8 Ų84.832%0.31951%0.511SS..  trans-62.4110.5160.9-75.3166.1000106.3F629 D652 G666F629-L664 HydrophobicContact CE2-CD2 4.47Å; F629-L664 HydrophobicContact CZ-CD2 3.79Å; F629-L664 HydrophobicContact CZ-CG 4.1Å; D652-L664 HydrophobicContact CB-CD1 4.48Å; L664-G666 PolarHBondContact O-N 2.8Å
665G45.9Very low51Low21 Ų2182.4 Ų82.422%0.21650%0.502CS..  trans-47.8126.6175.400000109.7R636 T663R636-G665 PolarHBondContact NH1-O 3.46Å; T663-G665 PolarHBondContact O-N 3.34Å; T663-G665 VanDerWaalsContact O-N 3.11Å
666G30.6Very low50.2Low75 Ų7578.3 Ų78.377%0.77350%0.496SS*.  trans-55.1143.3-178.500000111.1L664L664-G666 PolarHBondContact O-N 2.8Å
667V31.7Very low49Very low205 Ų20574.7 Ų74.7100%1.24250%0.5SS*.  trans-55.90177.8-177.30000111.2

Retrieved 667 of 667 residues in 514.6 ms (Link to these results)

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