A0A087Y301_POEFO Loading...

Sideroflexin 2

AlphaFold DB , UniProt , Accession A0A087Y301, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 317 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
1N45.1Very low53.7Low182 Ų18299.5 Ų99.597%0.97355%0.549SS*.  0-25.40-74.1-0.2000116.7
2K35.5Very low55.2Low192 Ų19294.4 Ų94.484%0.83553%0.529SS*.  trans-72.6-34.5174.6-81.4-178.4174.7179.50114.7A4 L5K2-A4 VanDerWaalsContact C-N 3.29Å; K2-A4 PolarHBondContact O-N 3.14Å; K2-L5 PolarHBondContact O-N 2.96Å
3M37.3Very low56.5Low170 Ų17092.7 Ų92.784%0.83752%0.524SS*.THydrogen-bonded Turntrans-64.4-26.7178.2-87.4176.3-172.300114.6S6M3-S6 PolarHBondContact O-OG 3.26Å
4A49.8Very low57.8Low52 Ų5291.6 Ų91.643%0.4351%0.508SS..THydrogen-bonded Turntrans-79-19.7179.400000113.1K2 V64K2-A4 VanDerWaalsContact C-N 3.29Å; K2-A4 PolarHBondContact O-N 3.14Å; A4-V64 HydrophobicContact CB-CG2 4.47Å
5L52.2Low59.4Low41 Ų4189.1 Ų89.122%0.21549%0.488CS..THydrogen-bonded Turntrans-82-33176.4-91.8129.8000112.1K2 S7 F8 T58 V64 L67K2-L5 PolarHBondContact O-N 2.96Å; L5-S7 VanDerWaalsContact C-N 3.28Å; L5-S7 PolarHBondContact O-N 3Å; L5-F8 PolarHBondContact O-N 2.84Å; L5-T58 HydrophobicContact CD2-CG2 4.09Å; L5-V64 HydrophobicContact CG-CG2 4.39Å; L5-L67 HydrophobicContact CD2-CD1 3.62Å
6S50.2Low60.7Low102 Ų10288.6 Ų88.671%0.71348%0.484SS*.THydrogen-bonded Turntrans-72-17.2-179.147.50000114.5M3M3-S6 PolarHBondContact O-OG 3.26Å
7S54.5Low61.9Low101 Ų10185.7 Ų85.771%0.70647%0.466SS*.THydrogen-bonded Turntrans-112.613.7176.678.60000113L5 D9L5-S7 VanDerWaalsContact C-N 3.28Å; L5-S7 PolarHBondContact O-N 3Å; S7-D9 PolarHBondContact O-N 3.08Å
8F64.1Low62.9Low35 Ų3585.9 Ų85.915%0.15448%0.476CS..  trans-80.9104.8-175.1-172.9-94.3000110.4L5 I10 V64 L67 Y68L5-F8 PolarHBondContact O-N 2.84Å; F8-I10 HydrophobicContact CD1-CG1 3.76Å; F8-I10 HydrophobicContact CE1-CG1 3.99Å; F8-I10 PolarHBondContact O-N 3.4Å; F8-V64 HydrophobicContact CD2-CG1 4.26Å; F8-V64 HydrophobicContact CE2-CG1 3.99Å; F8-L67 HydrophobicContact CE1-CB 4.25Å; F8-L67 HydrophobicContact CZ-CB 4.24Å; F8-Y68 HydrophobicContact CE2-CD1 4.17Å; F8-Y68 HydrophobicContact CE2-CD2 4.17Å; F8-Y68 AromaticContact CE2-CE1 3.56Å; F8-Y68 HydrophobicContact CE2-CE1 3.56Å; F8-Y68 AromaticContact CE2-CE2 3.6Å; F8-Y68 HydrophobicContact CE2-CE2 3.6Å; F8-Y68 HydrophobicContact CE2-CG 4.43Å; F8-Y68 AromaticContact CE2-CZ 3.25Å; F8-Y68 WeakPolarHBondContact CE2-OH 3.37Å; F8-Y68 AromaticContact CZ-CD1 3.81Å; F8-Y68 HydrophobicContact CZ-CD1 3.81Å; F8-Y68 HydrophobicContact CZ-CD2 4.43Å; F8-Y68 AromaticContact CZ-CE1 3.51Å; F8-Y68 HydrophobicContact CZ-CE1 3.51Å; F8-Y68 HydrophobicContact CZ-CE2 4.2Å; F8-Y68 HydrophobicContact CZ-CG 4.25Å; F8-Y68 AromaticContact CZ-CZ 3.74Å
9D67.4Low64.1Low94 Ų9485 Ų8550%0.50347%0.472SS..  trans-75.5109.9171.2-177-4000110.1S7 D11 A12S7-D9 PolarHBondContact O-N 3.08Å; D9-D11 PolarHBondContact O-N 3.16Å; D9-D11 WeakPolarHBondContact OD1-CA 3.47Å; D9-D11 PolarHBondContact OD1-N 3.13Å; D9-A12 HydrophobicContact CB-CB 3.76Å; D9-A12 PolarHBondContact O-N 3.05Å; D9-A12 PolarHBondContact OD1-N 3.17Å; D9-A12 WeakPolarHBondContact OD2-CB 3.24Å
10I66.8Low65.2Low24 Ų2485.4 Ų85.412%0.12347%0.469CS..SBendtrans-71.8-11.9-179.8-60.6153.7000111.5F8 V50 C53 R54 K71F8-I10 HydrophobicContact CD1-CG1 3.76Å; F8-I10 HydrophobicContact CE1-CG1 3.99Å; F8-I10 PolarHBondContact O-N 3.4Å; I10-V50 HydrophobicContact CG2-CG1 4.23Å; I10-C53 HydrophobicContact CD1-CB 3.26Å; I10-C53 WeakPolarHBondContact CD1-O 3.45Å; I10-C53 HydrophobicContact CG1-CB 4.16Å; I10-R54 HydrophobicContact CD1-CG 4.49Å; I10-R54 HydrophobicContact CG2-CG 4.12Å; I10-K71 WeakPolarHBondContact O-CD 3.47Å; I10-K71 WeakPolarHBondContact O-CE 3.49Å; I10-K71 PolarHBondContact O-NZ 3.43Å
11D68Low66.2Low102 Ų10286.4 Ų86.455%0.54547%0.472SS..SBendtrans-101.1-21.5176.4-65.5-46.7000111.8D9 R54 K71D9-D11 PolarHBondContact O-N 3.16Å; D9-D11 WeakPolarHBondContact OD1-CA 3.47Å; D9-D11 PolarHBondContact OD1-N 3.13Å; D11-R54 IonicContact OD1-CZ 3.49Å; D11-R54 IonicContact OD1-NE 3.29Å; D11-R54 PolarHBondContact OD1-NE 3.4Å; D11-R54 IonicContact OD1-NH2 2.82Å; D11-R54 PolarHBondContact OD1-NH2 3.36Å; D11-K71 VanDerWaalsContact C-NZ 3.35Å; D11-K71 PolarHBondContact O-NZ 3.41Å
12A71.8Confident68.1Low38 Ų3878.1 Ų78.131%0.31443%0.429SS..SBendtrans-64.8133.9175.100000113.9D9 K71D9-A12 HydrophobicContact CB-CB 3.76Å; D9-A12 PolarHBondContact O-N 3.05Å; D9-A12 PolarHBondContact OD1-N 3.17Å; D9-A12 WeakPolarHBondContact OD2-CB 3.24Å; A12-K71 PolarHBondContact O-NZ 3.49Å
13P71.6Confident70.4Confident72 Ų7270 Ų7047%0.46839%0.393SS..  trans-66.4138.8178.327.6-33.5000111.5W15 Q17P13-W15 VanDerWaalsContact C-N 3.27Å; P13-W15 PolarHBondContact O-N 3.22Å; P13-Q17 HydrophobicContact CB-CG 3.79Å; P13-Q17 HydrophobicContact CG-CG 3.77Å
14R75.4Confident72.6Confident77 Ų7763.2 Ų63.229%0.29136%0.36SS..SBendtrans-60.2-36.6179.1-179.1176.1-177.9165.28.3113E65 Y68R14-E65 IonicContact CZ-OE2 2.96Å; R14-E65 IonicContact NH1-OE2 3.38Å; R14-E65 PolarHBondContact NH1-OE2 2.87Å; R14-E65 VanDerWaalsContact NH2-CD 3.33Å; R14-E65 IonicContact NH2-OE1 2.94Å; R14-E65 PolarHBondContact NH2-OE1 3.29Å; R14-E65 IonicContact NH2-OE2 2.63Å; R14-E65 PolarHBondContact NH2-OE2 2.81Å; R14-Y68 HydrophobicContact CB-CD1 3.69Å; R14-Y68 HydrophobicContact CB-CE1 3.52Å; R14-Y68 HydrophobicContact CG-CD1 3.74Å; R14-Y68 HydrophobicContact CG-CD2 4.43Å; R14-Y68 HydrophobicContact CG-CE1 3.61Å; R14-Y68 HydrophobicContact CG-CE2 4.29Å; R14-Y68 HydrophobicContact CG-CG 4.17Å
15W81.4Confident74.3Confident55 Ų5565.9 Ų65.921%0.20836%0.362CS..SBendtrans-115.3145.1179-60.8-79.5000109.7P13 Q17 G22 K25 H26 N29 T72P13-W15 VanDerWaalsContact C-N 3.27Å; P13-W15 PolarHBondContact O-N 3.22Å; W15-Q17 PolarHBondContact O-N 3.49Å; W15-Q17 PolarHBondContact O-NE2 3.01Å; W15-G22 WeakPolarHBondContact CB-O 3.36Å; W15-K25 HydrophobicContact CD2-CB 3.97Å; W15-K25 HydrophobicContact CG-CB 4.01Å; W15-H26 VanDerWaalsContact CE3-CA 3.41Å; W15-H26 HydrophobicContact CE3-CB 3.8Å; W15-H26 HydrophobicContact CZ3-CB 4.42Å; W15-N29 HydrophobicContact CH2-CB 3.49Å; W15-N29 VanDerWaalsContact CH2-CB 3.49Å; W15-N29 HydrophobicContact CZ3-CB 3.71Å; W15-T72 HydrophobicContact CZ3-CG2 4.21Å
16D80.4Confident75.7Confident81 Ų8164.3 Ų64.343%0.43335%0.354SS..  trans-54.3123.2174.8166.640.2000111.2S18 T19 G22D16-S18 VanDerWaalsContact OD1-CB 3.3Å; D16-S18 WeakPolarHBondContact OD1-CB 3.46Å; D16-S18 PolarHBondContact OD1-N 3.2Å; D16-S18 PolarHBondContact OD1-OG 2.85Å; D16-S18 PolarHBondContact OD2-OG 3.4Å; D16-T19 WeakPolarHBondContact OD2-CB 3.46Å; D16-T19 WeakPolarHBondContact OD2-CG2 3.16Å; D16-T19 PolarHBondContact OD2-N 2.84Å; D16-T19 VanDerWaalsContact OD2-N 3.16Å; D16-T19 PolarHBondContact OD2-OG1 3.28Å; D16-G22 CarbonylContact O-C 3.57Å; D16-G22 VanDerWaalsContact O-CA 3.22Å; D16-G22 WeakPolarHBondContact O-CA 3.5Å
17Q80.6Confident76.9Confident39 Ų3959.8 Ų59.818%0.18232%0.321CS..SBendtrans-87.7-7.1-178.9-62.3-60.5-5700112.6P13 W15 R23P13-Q17 HydrophobicContact CB-CG 3.79Å; P13-Q17 HydrophobicContact CG-CG 3.77Å; W15-Q17 PolarHBondContact O-N 3.49Å; W15-Q17 PolarHBondContact O-NE2 3.01Å; Q17-R23 HydrophobicContact CB-CG 4.43Å; Q17-R23 VanDerWaalsContact O-CD 3.26Å; Q17-R23 WeakPolarHBondContact O-CD 3.35Å; Q17-R23 VanDerWaalsContact O-CG 3.26Å; Q17-R23 WeakPolarHBondContact O-CG 3.47Å; Q17-R23 PolarHBondContact O-NH1 3.11Å
18S80.4Confident78Confident90 Ų9058.4 Ų58.463%0.62930%0.303SS*.SBendtrans-77.6-34177.775.60000112.1D16 R23D16-S18 VanDerWaalsContact OD1-CB 3.3Å; D16-S18 WeakPolarHBondContact OD1-CB 3.46Å; D16-S18 PolarHBondContact OD1-N 3.2Å; D16-S18 PolarHBondContact OD1-OG 2.85Å; D16-S18 PolarHBondContact OD2-OG 3.4Å; S18-R23 PolarHBondContact O-NH1 3.5Å
19T85.7Confident78.6Confident68 Ų6858.3 Ų58.342%0.41730%0.304SS..SBendtrans-89.1144.9176.855.50000113.2D16 M21 G22 R23D16-T19 WeakPolarHBondContact OD2-CB 3.46Å; D16-T19 WeakPolarHBondContact OD2-CG2 3.16Å; D16-T19 PolarHBondContact OD2-N 2.84Å; D16-T19 VanDerWaalsContact OD2-N 3.16Å; D16-T19 PolarHBondContact OD2-OG1 3.28Å; T19-M21 PolarHBondContact O-N 2.88Å; T19-G22 PolarHBondContact O-N 3.38Å; T19-G22 PolarHBondContact OG1-N 3.12Å; T19-R23 WeakPolarHBondContact O-CG 3.34Å; T19-R23 PolarHBondContact O-N 3.05Å; T19-R23 VanDerWaalsContact O-N 3.09Å
20F85.9Confident78.7Confident93 Ų9355.3 Ų55.341%0.40829%0.287SS..Hα-helixtrans-59.1-45.6176.2174-96.3000111.9G22 R23 L24 S279F20-G22 VanDerWaalsContact C-N 3.33Å; F20-G22 PolarHBondContact O-N 3.29Å; F20-R23 PolarHBondContact O-N 2.96Å; F20-L24 HydrophobicContact CE1-CD2 3.97Å; F20-L24 HydrophobicContact CZ-CD2 4.44Å; F20-L24 WeakPolarHBondContact O-CB 3.27Å; F20-L24 PolarHBondContact O-N 2.94Å; F20-S279 WeakPolarHBondContact CD2-O 3.48Å; F20-S279 WeakPolarHBondContact CE2-OG 3.48Å; F20-S279 WeakPolarHBondContact CZ-OG 3.49Å
21M86Confident78.6Confident107 Ų10756.8 Ų56.853%0.52730%0.297SS..Hα-helixtrans-64.1-36.8-179.1-171.860.66800112.4T19 L24 K25T19-M21 PolarHBondContact O-N 2.88Å; M21-L24 PolarHBondContact O-N 2.92Å; M21-L24 HydrophobicContact SD-CD2 4.27Å; M21-K25 WeakPolarHBondContact O-CG 3.35Å; M21-K25 PolarHBondContact O-N 3.21Å
22G84.5Confident78.7Confident7 Ų753.9 Ų53.97%0.07228%0.282CS..Hα-helixtrans-67.6-42.7175.400000112.2W15 D16 T19 F20 L24 K25 H26W15-G22 WeakPolarHBondContact CB-O 3.36Å; D16-G22 CarbonylContact O-C 3.57Å; D16-G22 VanDerWaalsContact O-CA 3.22Å; D16-G22 WeakPolarHBondContact O-CA 3.5Å; T19-G22 PolarHBondContact O-N 3.38Å; T19-G22 PolarHBondContact OG1-N 3.12Å; F20-G22 VanDerWaalsContact C-N 3.33Å; F20-G22 PolarHBondContact O-N 3.29Å; G22-L24 PolarHBondContact O-N 3.5Å; G22-K25 PolarHBondContact O-N 3.26Å; G22-H26 WeakPolarHBondContact O-CB 3.42Å; G22-H26 PolarHBondContact O-N 3.33Å
23R84.4Confident78.4Confident21 Ų2155.4 Ų55.48%0.07929%0.29CS..Hα-helixtrans-61.3-42.5171.3-68.1-168.1-64.5-88.22.2112.5Q17 S18 T19 F20 H26 F27 S279Q17-R23 HydrophobicContact CB-CG 4.43Å; Q17-R23 VanDerWaalsContact O-CD 3.26Å; Q17-R23 WeakPolarHBondContact O-CD 3.35Å; Q17-R23 VanDerWaalsContact O-CG 3.26Å; Q17-R23 WeakPolarHBondContact O-CG 3.47Å; Q17-R23 PolarHBondContact O-NH1 3.11Å; S18-R23 PolarHBondContact O-NH1 3.5Å; T19-R23 WeakPolarHBondContact O-CG 3.34Å; T19-R23 PolarHBondContact O-N 3.05Å; T19-R23 VanDerWaalsContact O-N 3.09Å; F20-R23 PolarHBondContact O-N 2.96Å; R23-H26 WeakPolarHBondContact O-CB 3.23Å; R23-H26 PolarHBondContact O-N 3.16Å; R23-F27 WeakPolarHBondContact O-CD2 3.43Å; R23-F27 PolarHBondContact O-N 3.07Å; R23-S279 PolarHBondContact NE-O 2.9Å; R23-S279 PolarHBondContact NH2-O 3.44Å
24L83.8Confident78.2Confident29 Ų2960.9 Ų60.915%0.15230%0.301CS..Hα-helixtrans-60.8-49.4179.8-17364000110.8F20 M21 G22 H26 F27 F28 P275 A276F20-L24 HydrophobicContact CE1-CD2 3.97Å; F20-L24 HydrophobicContact CZ-CD2 4.44Å; F20-L24 WeakPolarHBondContact O-CB 3.27Å; F20-L24 PolarHBondContact O-N 2.94Å; M21-L24 PolarHBondContact O-N 2.92Å; M21-L24 HydrophobicContact SD-CD2 4.27Å; G22-L24 PolarHBondContact O-N 3.5Å; L24-H26 VanDerWaalsContact C-N 3.28Å; L24-H26 PolarHBondContact O-N 3.05Å; L24-F27 PolarHBondContact O-N 3.4Å; L24-F28 HydrophobicContact CD1-CD2 3.76Å; L24-F28 HydrophobicContact CD1-CE2 3.43Å; L24-F28 VanDerWaalsContact CD1-CE2 3.43Å; L24-F28 HydrophobicContact CD2-CE2 4.18Å; L24-F28 HydrophobicContact CG-CD2 3.7Å; L24-F28 HydrophobicContact CG-CE2 3.64Å; L24-F28 WeakPolarHBondContact O-CB 3.33Å; L24-F28 VanDerWaalsContact O-CD2 3.31Å; L24-F28 WeakPolarHBondContact O-CD2 3Å; L24-F28 PolarHBondContact O-N 3.48Å; L24-P275 HydrophobicContact CD1-CB 4.35Å; L24-A276 HydrophobicContact CD1-CB 4.14Å
25K84.4Confident77.7Confident108 Ų10857.7 Ų57.747%0.4729%0.29SS..Hα-helixtrans-58.3-40.9175-72.7176.2-179.3-178.70112.1W15 M21 G22 N29W15-K25 HydrophobicContact CD2-CB 3.97Å; W15-K25 HydrophobicContact CG-CB 4.01Å; M21-K25 WeakPolarHBondContact O-CG 3.35Å; M21-K25 PolarHBondContact O-N 3.21Å; G22-K25 PolarHBondContact O-N 3.26Å; K25-N29 WeakPolarHBondContact O-CB 3.34Å; K25-N29 PolarHBondContact O-N 3.17Å; K25-N29 VanDerWaalsContact O-N 3.1Å
26H81.7Confident76.9Confident7 Ų755.7 Ų55.73%0.03229%0.286CS..Hα-helixtrans-60.5-51.5176.1179.466.5000112.3W15 G22 R23 L24 N29 I30W15-H26 VanDerWaalsContact CE3-CA 3.41Å; W15-H26 HydrophobicContact CE3-CB 3.8Å; W15-H26 HydrophobicContact CZ3-CB 4.42Å; G22-H26 WeakPolarHBondContact O-CB 3.42Å; G22-H26 PolarHBondContact O-N 3.33Å; R23-H26 WeakPolarHBondContact O-CB 3.23Å; R23-H26 PolarHBondContact O-N 3.16Å; L24-H26 VanDerWaalsContact C-N 3.28Å; L24-H26 PolarHBondContact O-N 3.05Å; H26-N29 PolarHBondContact O-N 3.41Å; H26-I30 VanDerWaalsContact CE1-CD1 3.45Å; H26-I30 WeakPolarHBondContact CE1-CD1 3.29Å; H26-I30 VanDerWaalsContact NE2-CD1 3.27Å; H26-I30 WeakPolarHBondContact NE2-CD1 3.34Å; H26-I30 WeakPolarHBondContact O-CG1 3.42Å; H26-I30 PolarHBondContact O-N 3.29Å; H26-I30 VanDerWaalsContact O-N 3.13Å
27F76.4Confident76.2Confident7 Ų756.7 Ų56.73%0.03129%0.294CS..Hα-helixtrans-69.5-35.8-179.2-75.7-64.5000113.4R23 L24 N29 I30 T31 P275 C278 Q283 L317R23-F27 WeakPolarHBondContact O-CD2 3.43Å; R23-F27 PolarHBondContact O-N 3.07Å; L24-F27 PolarHBondContact O-N 3.4Å; F27-N29 VanDerWaalsContact C-N 3.29Å; F27-N29 PolarHBondContact O-N 3.04Å; F27-I30 PolarHBondContact O-N 3.1Å; F27-T31 WeakPolarHBondContact O-CB 3.41Å; F27-T31 WeakPolarHBondContact O-CG2 3.46Å; F27-T31 PolarHBondContact O-N 2.89Å; F27-T31 PolarHBondContact O-OG1 3.02Å; F27-P275 HydrophobicContact CB-CB 3.96Å; F27-C278 HydrophobicContact CD1-CB 3.78Å; F27-C278 HydrophobicContact CD2-CB 3.76Å; F27-C278 HydrophobicContact CE1-CB 3.77Å; F27-C278 VanDerWaalsContact CE2-C 3.42Å; F27-C278 HydrophobicContact CE2-CB 3.75Å; F27-C278 VanDerWaalsContact CE2-O 3.24Å; F27-C278 WeakPolarHBondContact CE2-O 2.9Å; F27-C278 HydrophobicContact CG-CB 3.77Å; F27-C278 HydrophobicContact CZ-CB 3.72Å; F27-Q283 VanDerWaalsContact CE1-NE2 3.33Å; F27-Q283 HydrophobicContact CZ-CG 3.93Å; F27-L317 HydrophobicContact CE1-CD2 3.6Å; F27-L317 HydrophobicContact CZ-CD2 3.91Å
28F77.8Confident75.6Confident72 Ų7257.1 Ų57.132%0.31630%0.297SS..Hα-helixtrans-61.6-38.3173-92.8-68.1000112.2L24 T31 D32 F272 P275L24-F28 HydrophobicContact CD1-CD2 3.76Å; L24-F28 HydrophobicContact CD1-CE2 3.43Å; L24-F28 VanDerWaalsContact CD1-CE2 3.43Å; L24-F28 HydrophobicContact CD2-CE2 4.18Å; L24-F28 HydrophobicContact CG-CD2 3.7Å; L24-F28 HydrophobicContact CG-CE2 3.64Å; L24-F28 WeakPolarHBondContact O-CB 3.33Å; L24-F28 VanDerWaalsContact O-CD2 3.31Å; L24-F28 WeakPolarHBondContact O-CD2 3Å; L24-F28 PolarHBondContact O-N 3.48Å; F28-T31 PolarHBondContact O-N 3.47Å; F28-T31 PolarHBondContact O-OG1 3.38Å; F28-D32 PolarHBondContact O-N 3.03Å; F28-F272 AromaticContact CE1-CD1 3.88Å; F28-F272 HydrophobicContact CE1-CD1 3.88Å; F28-F272 AromaticContact CZ-CD1 3.94Å; F28-F272 HydrophobicContact CZ-CD1 3.94Å; F28-P275 HydrophobicContact CD1-CB 4.02Å; F28-P275 HydrophobicContact CD1-CG 3.7Å; F28-P275 HydrophobicContact CD2-CB 3.81Å; F28-P275 HydrophobicContact CD2-CG 4.4Å; F28-P275 HydrophobicContact CE1-CB 4.1Å; F28-P275 HydrophobicContact CE1-CG 3.71Å; F28-P275 HydrophobicContact CE2-CB 3.91Å; F28-P275 HydrophobicContact CE2-CG 4.42Å; F28-P275 HydrophobicContact CG-CB 3.86Å; F28-P275 HydrophobicContact CG-CG 4.04Å; F28-P275 HydrophobicContact CZ-CB 4.03Å; F28-P275 HydrophobicContact CZ-CG 4.08Å
29N75.7Confident75.1Confident33 Ų3356.2 Ų56.218%0.17629%0.29CS..Hα-helixtrans-71.6-32.1178.4-169.356.9000112.7W15 K25 H26 F27 T72W15-N29 HydrophobicContact CH2-CB 3.49Å; W15-N29 VanDerWaalsContact CH2-CB 3.49Å; W15-N29 HydrophobicContact CZ3-CB 3.71Å; K25-N29 WeakPolarHBondContact O-CB 3.34Å; K25-N29 PolarHBondContact O-N 3.17Å; K25-N29 VanDerWaalsContact O-N 3.1Å; H26-N29 PolarHBondContact O-N 3.41Å; F27-N29 VanDerWaalsContact C-N 3.29Å; F27-N29 PolarHBondContact O-N 3.04Å; N29-T72 VanDerWaalsContact ND2-CG2 3.31Å; N29-T72 WeakPolarHBondContact ND2-CG2 3.41Å
30I69.6Low74.4Confident31 Ų3156.9 Ų56.916%0.15929%0.29CS..Hα-helixtrans-70.7-39.2175.1-71172.8000111.1H26 F27 D32 T72 S77H26-I30 VanDerWaalsContact CE1-CD1 3.45Å; H26-I30 WeakPolarHBondContact CE1-CD1 3.29Å; H26-I30 VanDerWaalsContact NE2-CD1 3.27Å; H26-I30 WeakPolarHBondContact NE2-CD1 3.34Å; H26-I30 WeakPolarHBondContact O-CG1 3.42Å; H26-I30 PolarHBondContact O-N 3.29Å; H26-I30 VanDerWaalsContact O-N 3.13Å; F27-I30 PolarHBondContact O-N 3.1Å; I30-D32 VanDerWaalsContact C-N 3.32Å; I30-D32 PolarHBondContact O-N 3.1Å; I30-T72 HydrophobicContact CG1-CG2 3.89Å; I30-S77 WeakPolarHBondContact CA-OG 3.12Å; I30-S77 WeakPolarHBondContact CG2-OG 3.37Å; I30-S77 PolarHBondContact O-OG 2.95Å
31T65.9Low73.8Confident55 Ų5555.7 Ų55.734%0.33729%0.294SS..THydrogen-bonded Turntrans-91.417.7-173.453.30000114F27 F28 C33 V274 P275F27-T31 WeakPolarHBondContact O-CB 3.41Å; F27-T31 WeakPolarHBondContact O-CG2 3.46Å; F27-T31 PolarHBondContact O-N 2.89Å; F27-T31 PolarHBondContact O-OG1 3.02Å; F28-T31 PolarHBondContact O-N 3.47Å; F28-T31 PolarHBondContact O-OG1 3.38Å; T31-C33 PolarHBondContact O-N 3.26Å; T31-C33 VanDerWaalsContact O-N 3.08Å; T31-V274 HydrophobicContact CG2-CG1 4.41Å; T31-P275 WeakPolarHBondContact OG1-CG 3.38Å
32D69.3Low73.2Confident42 Ų4256.9 Ų56.923%0.22529%0.292CS..  trans-62114.8-179.4-169.4-35000111F28 I30 R34 T35 R73F28-D32 PolarHBondContact O-N 3.03Å; I30-D32 VanDerWaalsContact C-N 3.32Å; I30-D32 PolarHBondContact O-N 3.1Å; D32-R34 PolarHBondContact O-N 3.47Å; D32-R34 VanDerWaalsContact OD1-CB 3.22Å; D32-R34 WeakPolarHBondContact OD1-CB 3.4Å; D32-R34 VanDerWaalsContact OD1-CG 3.27Å; D32-R34 WeakPolarHBondContact OD1-CG 3.46Å; D32-R34 PolarHBondContact OD1-N 3.27Å; D32-T35 VanDerWaalsContact O-CB 3.28Å; D32-T35 WeakPolarHBondContact O-CB 3.17Å; D32-T35 PolarHBondContact O-N 3.48Å; D32-T35 PolarHBondContact O-OG1 3.03Å; D32-R73 IonicContact OD1-NH2 3.25Å; D32-R73 PolarHBondContact OD1-NH2 3.11Å; D32-R73 IonicContact OD2-CZ 3.43Å; D32-R73 IonicContact OD2-NE 3.91Å; D32-R73 IonicContact OD2-NH1 3.05Å; D32-R73 PolarHBondContact OD2-NH1 3.06Å; D32-R73 IonicContact OD2-NH2 2.78Å; D32-R73 PolarHBondContact OD2-NH2 3.08Å
33C64.9Low72.5Confident70 Ų7057.5 Ų57.547%0.47329%0.294SS..G310 helixtrans-59.1-23-177.7-55.50000113.3T31 T35 A36T31-C33 PolarHBondContact O-N 3.26Å; T31-C33 VanDerWaalsContact O-N 3.08Å; C33-T35 PolarHBondContact O-N 3.44Å; C33-A36 VanDerWaalsContact O-CB 3.3Å; C33-A36 WeakPolarHBondContact O-CB 3.49Å; C33-A36 PolarHBondContact O-N 3.36Å; C33-A36 VanDerWaalsContact O-N 3.11Å
34R67.9Low72Confident186 Ų18661.4 Ų61.470%0.70232%0.317SS*.G310 helixtrans-64.5-26.7176.7-61.2173.4-179.1-175.21.1111.8D32 A36 V37D32-R34 PolarHBondContact O-N 3.47Å; D32-R34 VanDerWaalsContact OD1-CB 3.22Å; D32-R34 WeakPolarHBondContact OD1-CB 3.4Å; D32-R34 VanDerWaalsContact OD1-CG 3.27Å; D32-R34 WeakPolarHBondContact OD1-CG 3.46Å; D32-R34 PolarHBondContact OD1-N 3.27Å; R34-A36 PolarHBondContact O-N 3.4Å; R34-V37 PolarHBondContact O-N 3.03Å
35T66.1Low71.7Confident11 Ų1165 Ų657%0.06733%0.333CS..G310 helixtrans-64.6-28.2176.2-56.10000111.9D32 C33 V37 L38 R73 L74D32-T35 VanDerWaalsContact O-CB 3.28Å; D32-T35 WeakPolarHBondContact O-CB 3.17Å; D32-T35 PolarHBondContact O-N 3.48Å; D32-T35 PolarHBondContact O-OG1 3.03Å; C33-T35 PolarHBondContact O-N 3.44Å; T35-V37 VanDerWaalsContact C-N 3.29Å; T35-V37 PolarHBondContact O-N 3.46Å; T35-L38 HydrophobicContact CG2-CD1 4.42Å; T35-L38 PolarHBondContact O-N 2.82Å; T35-R73 WeakPolarHBondContact OG1-CG 3.33Å; T35-R73 PolarHBondContact OG1-NE 3.44Å; T35-L74 HydrophobicContact CG2-CD2 3.92Å
36A63Low71.1Confident13 Ų1360.1 Ų60.111%0.10731%0.312CS..THydrogen-bonded Turntrans-59.6-42.8175.200000110.7C33 R34 L38 W88 I91C33-A36 VanDerWaalsContact O-CB 3.3Å; C33-A36 WeakPolarHBondContact O-CB 3.49Å; C33-A36 PolarHBondContact O-N 3.36Å; C33-A36 VanDerWaalsContact O-N 3.11Å; R34-A36 PolarHBondContact O-N 3.4Å; A36-L38 PolarHBondContact O-N 3.27Å; A36-W88 VanDerWaalsContact C-NE1 3.34Å; A36-W88 PolarHBondContact O-NE1 2.8Å; A36-I91 HydrophobicContact CB-CD1 4.21Å
37V66.4Low70.8Confident102 Ų10264.3 Ų64.362%0.61833%0.33SS*.THydrogen-bonded Turntrans-77-2.2-175.2-159.80000113.3R34 T35 W88R34-V37 PolarHBondContact O-N 3.03Å; T35-V37 VanDerWaalsContact C-N 3.29Å; T35-V37 PolarHBondContact O-N 3.46Å; V37-W88 HydrophobicContact CB-CZ2 4.21Å; V37-W88 HydrophobicContact CG1-CZ2 4.25Å; V37-W88 HydrophobicContact CG2-CH2 4.48Å; V37-W88 HydrophobicContact CG2-CZ2 3.87Å
38L68.1Low70.9Confident47 Ų4766.6 Ų66.625%0.24635%0.351CS..SBendtrans-79139.8-177.5-68.8174.6000111.7T35 A36 L74T35-L38 HydrophobicContact CG2-CD1 4.42Å; T35-L38 PolarHBondContact O-N 2.82Å; A36-L38 PolarHBondContact O-N 3.27Å; L38-L74 HydrophobicContact CD1-CD2 3.72Å
39P69.6Low70.9Confident72 Ų7264.7 Ų64.747%0.46834%0.343SS..  trans-69.514917628-32.9000111.4S41 R42P39-S41 PolarHBondContact O-N 3.4Å; P39-S41 VanDerWaalsContact O-N 3.15Å; P39-R42 HydrophobicContact CG-CG 3.81Å; P39-R42 PolarHBondContact O-N 3.36Å
40D70.8Confident70.9Confident81 Ų8163.3 Ų63.343%0.43334%0.336SS..Hα-helixtrans-58.2-29.8-177.3-66.3-51.8000112.9R42 L43 D44 A84 G85D40-R42 VanDerWaalsContact C-N 3.26Å; D40-R42 PolarHBondContact O-N 3.36Å; D40-L43 WeakPolarHBondContact O-CA 3.23Å; D40-L43 VanDerWaalsContact O-CB 3.29Å; D40-L43 WeakPolarHBondContact O-CB 3.25Å; D40-L43 PolarHBondContact O-N 3.26Å; D40-D44 PolarHBondContact O-N 3.44Å; D40-A84 WeakPolarHBondContact OD1-CB 3.29Å; D40-G85 PolarHBondContact OD1-N 3.36Å
41S73.6Confident71.4Confident69 Ų6966.3 Ų66.348%0.48335%0.35SS..Hα-helixtrans-58.3-36.2175.857.10000113.4P39 L43 D44 E45P39-S41 PolarHBondContact O-N 3.4Å; P39-S41 VanDerWaalsContact O-N 3.15Å; S41-L43 VanDerWaalsContact C-N 3.28Å; S41-L43 PolarHBondContact O-N 3.26Å; S41-D44 PolarHBondContact O-N 3.33Å; S41-E45 WeakPolarHBondContact O-CG 3.35Å; S41-E45 PolarHBondContact O-N 3.43Å
42R72.4Confident71.9Confident131 Ų13165.3 Ų65.349%0.49435%0.345SS..Hα-helixtrans-72.3-26.4177.6-64.3-71.4-82.8176.1-10.7111.8P39 D40 E45 A46P39-R42 HydrophobicContact CG-CG 3.81Å; P39-R42 PolarHBondContact O-N 3.36Å; D40-R42 VanDerWaalsContact C-N 3.26Å; D40-R42 PolarHBondContact O-N 3.36Å; R42-E45 WeakPolarHBondContact CD-OE2 3.31Å; R42-E45 IonicContact CZ-OE2 3.85Å; R42-E45 IonicContact NH1-OE2 2.93Å; R42-E45 PolarHBondContact NH1-OE2 3.29Å; R42-A46 WeakPolarHBondContact O-CB 3.29Å; R42-A46 PolarHBondContact O-N 2.83Å
43L69.9Low72.2Confident21 Ų2163.8 Ų63.811%0.1134%0.337CS..Hα-helixtrans-72.6-43.3173.1177.462.4000110.7D40 S41 A46 K47 L74 C78 A84D40-L43 WeakPolarHBondContact O-CA 3.23Å; D40-L43 VanDerWaalsContact O-CB 3.29Å; D40-L43 WeakPolarHBondContact O-CB 3.25Å; D40-L43 PolarHBondContact O-N 3.26Å; S41-L43 VanDerWaalsContact C-N 3.28Å; S41-L43 PolarHBondContact O-N 3.26Å; L43-A46 PolarHBondContact O-N 2.88Å; L43-K47 WeakPolarHBondContact O-CB 3.48Å; L43-K47 PolarHBondContact O-N 2.99Å; L43-L74 HydrophobicContact CD1-CB 4.02Å; L43-L74 WeakPolarHBondContact CD1-O 3.42Å; L43-C78 HydrophobicContact CD1-CB 3.5Å; L43-C78 HydrophobicContact CD2-CB 3.55Å; L43-C78 HydrophobicContact CG-CB 4.17Å; L43-A84 HydrophobicContact CD2-CB 3.93Å
44D74.9Confident72.7Confident103 Ų10366 Ų6655%0.55134%0.336SS*.Hα-helixtrans-64.6-42.3177.4-69.6-28.7000111.8D40 S41 A46 K47 A48D40-D44 PolarHBondContact O-N 3.44Å; S41-D44 PolarHBondContact O-N 3.33Å; D44-A46 VanDerWaalsContact C-N 3.31Å; D44-A46 PolarHBondContact O-N 3.15Å; D44-K47 PolarHBondContact O-N 3.03Å; D44-A48 WeakPolarHBondContact O-CB 3.31Å; D44-A48 PolarHBondContact O-N 3.39Å
45E76.8Confident73.2Confident105 Ų10561 Ų6149%0.49133%0.334SS..Hα-helixtrans-55.5-46171.4-76.8171.5-16000111.7S41 R42 L49S41-E45 WeakPolarHBondContact O-CG 3.35Å; S41-E45 PolarHBondContact O-N 3.43Å; R42-E45 WeakPolarHBondContact CD-OE2 3.31Å; R42-E45 IonicContact CZ-OE2 3.85Å; R42-E45 IonicContact NH1-OE2 2.93Å; R42-E45 PolarHBondContact NH1-OE2 3.29Å; E45-L49 WeakPolarHBondContact O-CB 3.33Å; E45-L49 PolarHBondContact O-N 3.26Å
46A73.3Confident73.4Confident5 Ų563.6 Ų63.64%0.04136%0.363CS..Hα-helixtrans-69-36.6179.600000112.7R42 L43 D44 L49 V50 A70 L74R42-A46 WeakPolarHBondContact O-CB 3.29Å; R42-A46 PolarHBondContact O-N 2.83Å; L43-A46 PolarHBondContact O-N 2.88Å; D44-A46 VanDerWaalsContact C-N 3.31Å; D44-A46 PolarHBondContact O-N 3.15Å; A46-L49 PolarHBondContact O-N 2.91Å; A46-V50 WeakPolarHBondContact O-CG2 3.31Å; A46-V50 PolarHBondContact O-N 3.18Å; A46-A70 HydrophobicContact CB-CB 3.84Å; A46-L74 HydrophobicContact CB-CB 3.62Å; A46-L74 HydrophobicContact CB-CD1 3.4Å; A46-L74 VanDerWaalsContact CB-CD1 3.4Å; A46-L74 HydrophobicContact CB-CG 4.14Å
47K75.1Confident73.8Confident94 Ų9466.7 Ų66.741%0.40938%0.384SS..Hα-helixtrans-64.4-49175-176.8179.1174.6-172.80111L43 D44 L49 V50 E51 Y75L43-K47 WeakPolarHBondContact O-CB 3.48Å; L43-K47 PolarHBondContact O-N 2.99Å; D44-K47 PolarHBondContact O-N 3.03Å; K47-L49 VanDerWaalsContact C-N 3.26Å; K47-L49 PolarHBondContact O-N 3.49Å; K47-V50 PolarHBondContact O-N 2.9Å; K47-E51 WeakPolarHBondContact CE-OE1 3.19Å; K47-E51 WeakPolarHBondContact O-CG 3.12Å; K47-E51 PolarHBondContact O-N 2.92Å; K47-Y75 HydrophobicContact CB-CD2 4.46Å; K47-Y75 HydrophobicContact CG-CD2 4.2Å; K47-Y75 HydrophobicContact CG-CE2 4.18Å
48A77.9Confident73.8Confident55 Ų5565.4 Ų65.446%0.45538%0.376SS..Hα-helixtrans-59.8-37.8176.100000111.8D44 S52D44-A48 WeakPolarHBondContact O-CB 3.31Å; D44-A48 PolarHBondContact O-N 3.39Å; A48-S52 VanDerWaalsContact O-CB 3.31Å; A48-S52 WeakPolarHBondContact O-CB 3.41Å; A48-S52 PolarHBondContact O-N 3.46Å; A48-S52 PolarHBondContact O-OG 2.93Å
49L77.9Confident73.7Confident32 Ų3265.9 Ų65.917%0.16838%0.382CS..Hα-helixtrans-64.7-44.6175.2-172.765.8000112.1E45 A46 K47 S52 C53 P59 T62 A70E45-L49 WeakPolarHBondContact O-CB 3.33Å; E45-L49 PolarHBondContact O-N 3.26Å; A46-L49 PolarHBondContact O-N 2.91Å; K47-L49 VanDerWaalsContact C-N 3.26Å; K47-L49 PolarHBondContact O-N 3.49Å; L49-S52 WeakPolarHBondContact CA-OG 3.34Å; L49-S52 PolarHBondContact O-OG 3.43Å; L49-C53 WeakPolarHBondContact O-CB 3.44Å; L49-C53 PolarHBondContact O-N 2.99Å; L49-C53 PolarHBondContact O-SG 3.24Å; L49-P59 HydrophobicContact CD1-CG 3.76Å; L49-T62 HydrophobicContact CD1-CG2 4.35Å; L49-T62 HydrophobicContact CD2-CG2 4.32Å; L49-A70 HydrophobicContact CD2-CB 3.83Å
50V76.4Confident73.1Confident5 Ų569 Ų693%0.0340%0.403CS..Hα-helixtrans-66-42.2178.5171.60000111.3I10 A46 K47 C53 R54 A70 K71 Y75I10-V50 HydrophobicContact CG2-CG1 4.23Å; A46-V50 WeakPolarHBondContact O-CG2 3.31Å; A46-V50 PolarHBondContact O-N 3.18Å; K47-V50 PolarHBondContact O-N 2.9Å; V50-C53 PolarHBondContact O-N 2.74Å; V50-R54 WeakPolarHBondContact O-CG 3.3Å; V50-R54 PolarHBondContact O-N 3.13Å; V50-A70 HydrophobicContact CG2-CB 4.5Å; V50-K71 HydrophobicContact CG2-CB 4.18Å; V50-Y75 HydrophobicContact CB-CD2 4.35Å; V50-Y75 HydrophobicContact CB-CG 4.48Å; V50-Y75 HydrophobicContact CG1-CD1 4.35Å; V50-Y75 HydrophobicContact CG1-CD2 4.31Å; V50-Y75 HydrophobicContact CG1-CE1 4.48Å; V50-Y75 HydrophobicContact CG1-CE2 4.43Å; V50-Y75 HydrophobicContact CG1-CG 4.26Å; V50-Y75 HydrophobicContact CG2-CG 4.35Å
51E79.4Confident72.7Confident93 Ų9368.9 Ų68.944%0.43542%0.421SS..Hα-helixtrans-66.9-43.8179.2-72.6175.1-179.100112.1K47 C53 R54 A55K47-E51 WeakPolarHBondContact CE-OE1 3.19Å; K47-E51 WeakPolarHBondContact O-CG 3.12Å; K47-E51 PolarHBondContact O-N 2.92Å; E51-C53 VanDerWaalsContact C-N 3.33Å; E51-C53 PolarHBondContact O-N 3.47Å; E51-R54 PolarHBondContact O-N 3.3Å; E51-A55 WeakPolarHBondContact O-CB 3.5Å; E51-A55 PolarHBondContact O-N 3.24Å
52S77.3Confident72.3Confident35 Ų3566.6 Ų66.625%0.24540%0.404CS..Hα-helixtrans-62.3-39.7174.952.30000112.3A48 L49 A55 G56 S57A48-S52 VanDerWaalsContact O-CB 3.31Å; A48-S52 WeakPolarHBondContact O-CB 3.41Å; A48-S52 PolarHBondContact O-N 3.46Å; A48-S52 PolarHBondContact O-OG 2.93Å; L49-S52 WeakPolarHBondContact CA-OG 3.34Å; L49-S52 PolarHBondContact O-OG 3.43Å; S52-A55 CarbonylContact O-C 3.57Å; S52-A55 WeakPolarHBondContact O-CA 3.22Å; S52-A55 WeakPolarHBondContact O-CB 3.35Å; S52-A55 PolarHBondContact O-N 3.36Å; S52-A55 VanDerWaalsContact O-N 3.17Å; S52-G56 PolarHBondContact O-N 3.15Å; S52-S57 CarbonylContact C-O 3.54Å; S52-S57 PolarHBondContact O-N 3.48Å
53C74.6Confident72.3Confident9 Ų962.9 Ų62.96%0.06140%0.398CS..Hα-helixtrans-67.3-37.9176.7-64.80000111.4I10 L49 V50 E51 A55 G56 S57 L67I10-C53 HydrophobicContact CD1-CB 3.26Å; I10-C53 WeakPolarHBondContact CD1-O 3.45Å; I10-C53 HydrophobicContact CG1-CB 4.16Å; L49-C53 WeakPolarHBondContact O-CB 3.44Å; L49-C53 PolarHBondContact O-N 2.99Å; L49-C53 PolarHBondContact O-SG 3.24Å; V50-C53 PolarHBondContact O-N 2.74Å; E51-C53 VanDerWaalsContact C-N 3.33Å; E51-C53 PolarHBondContact O-N 3.47Å; C53-A55 VanDerWaalsContact C-N 3.28Å; C53-A55 PolarHBondContact O-N 3.43Å; C53-G56 PolarHBondContact O-N 3.29Å; C53-S57 PolarHBondContact N-O 3.43Å; C53-L67 HydrophobicContact CB-CD2 4.29Å; C53-L67 WeakPolarHBondContact SG-CD2 3.38Å
54R75.6Confident72.3Confident118 Ų11863.9 Ų63.945%0.44541%0.405SS..Hα-helixtrans-64.6-32.5171.6-79.1-179.9171.6159.2-1.2112.7I10 D11 V50 E51 G56 Y75I10-R54 HydrophobicContact CD1-CG 4.49Å; I10-R54 HydrophobicContact CG2-CG 4.12Å; D11-R54 IonicContact OD1-CZ 3.49Å; D11-R54 IonicContact OD1-NE 3.29Å; D11-R54 PolarHBondContact OD1-NE 3.4Å; D11-R54 IonicContact OD1-NH2 2.82Å; D11-R54 PolarHBondContact OD1-NH2 3.36Å; V50-R54 WeakPolarHBondContact O-CG 3.3Å; V50-R54 PolarHBondContact O-N 3.13Å; E51-R54 PolarHBondContact O-N 3.3Å; R54-G56 PolarHBondContact O-N 3.38Å; R54-Y75 PolarHBondContact NH1-OH 2.84Å
55A77.9Confident72Confident79 Ų7964.2 Ų64.265%0.65340%0.403SS*.THydrogen-bonded Turntrans-76.75.8172.500000113.4E51 S52 C53 S57E51-A55 WeakPolarHBondContact O-CB 3.5Å; E51-A55 PolarHBondContact O-N 3.24Å; S52-A55 CarbonylContact O-C 3.57Å; S52-A55 WeakPolarHBondContact O-CA 3.22Å; S52-A55 WeakPolarHBondContact O-CB 3.35Å; S52-A55 PolarHBondContact O-N 3.36Å; S52-A55 VanDerWaalsContact O-N 3.17Å; C53-A55 VanDerWaalsContact C-N 3.28Å; C53-A55 PolarHBondContact O-N 3.43Å; A55-S57 VanDerWaalsContact C-N 3.35Å
56G71.5Confident71.7Confident67 Ų6764.1 Ų64.169%0.69140%0.403SS*.THydrogen-bonded Turntrans81.38.2176.800000114.9S52 C53 R54S52-G56 PolarHBondContact O-N 3.15Å; C53-G56 PolarHBondContact O-N 3.29Å; R54-G56 PolarHBondContact O-N 3.38Å
57S70.1Confident71.6Confident77 Ų7764.4 Ų64.454%0.53840%0.403SS..  trans-110.2110.7-179.8-65.50000111.1S52 C53 A55S52-S57 CarbonylContact C-O 3.54Å; S52-S57 PolarHBondContact O-N 3.48Å; C53-S57 PolarHBondContact N-O 3.43Å; A55-S57 VanDerWaalsContact C-N 3.35Å
58T65.9Low71.4Confident75 Ų7562.3 Ų62.346%0.4639%0.393SS..PPolyproline II helixtrans-99.9119.617354.90000110.4L5L5-T58 HydrophobicContact CD2-CG2 4.09Å
59P67.4Low71Confident57 Ų5763.9 Ų63.937%0.3739%0.388SS..PPolyproline II helixtrans-56.8136.9176.9-23.732.8000111.8L49 G61 T62L49-P59 HydrophobicContact CD1-CG 3.76Å; P59-G61 PolarHBondContact O-N 3.14Å; P59-T62 PolarHBondContact O-N 3.01Å; P59-T62 PolarHBondContact O-OG1 2.85Å
60P56.7Low70.3Confident139 Ų13962.6 Ų62.690%0.90338%0.382SS*.THydrogen-bonded Turntrans-64.2124.3-178.623-29.8000110.8
61G62.6Low69.9Low78 Ų7862.8 Ų62.880%0.80438%0.382SS*.THydrogen-bonded Turntrans106.1-3.2-177.500000115.1P59 S63P59-G61 PolarHBondContact O-N 3.14Å; G61-S63 PolarHBondContact O-N 2.95Å
62T65.1Low69Low21 Ų2158.4 Ų58.413%0.12936%0.362CS..  trans-71.9122179.1-48.70000111.3L49 P59 Q66 L67L49-T62 HydrophobicContact CD1-CG2 4.35Å; L49-T62 HydrophobicContact CD2-CG2 4.32Å; P59-T62 PolarHBondContact O-N 3.01Å; P59-T62 PolarHBondContact O-OG1 2.85Å; T62-Q66 HydrophobicContact CG2-CB 4.37Å; T62-L67 HydrophobicContact CG2-CD1 4.03Å; T62-L67 HydrophobicContact CG2-CD2 4.28Å; T62-L67 HydrophobicContact CG2-CG 3.72Å
63S72.4Confident68.1Low53 Ų5358.1 Ų58.137%0.37136%0.355SS..  trans-84.2152.117364.40000111.8G61 E65 Q66 L67G61-S63 PolarHBondContact O-N 2.95Å; S63-E65 PolarHBondContact O-N 3.45Å; S63-Q66 WeakPolarHBondContact O-CB 3.44Å; S63-Q66 PolarHBondContact O-N 3.08Å; S63-Q66 VanDerWaalsContact OG-CD 3.23Å; S63-Q66 VanDerWaalsContact OG-CG 3.23Å; S63-Q66 WeakPolarHBondContact OG-CG 3.09Å; S63-Q66 PolarHBondContact OG-N 3.45Å; S63-Q66 PolarHBondContact OG-OE1 3.36Å; S63-L67 PolarHBondContact O-N 3.25Å; S63-L67 VanDerWaalsContact O-N 3.15Å
64V69.4Low67.3Low41 Ų4158 Ų5825%0.24835%0.354CS..Hα-helixtrans-57.9-33.9177.51780000111.8A4 L5 F8 L67 Y68A4-V64 HydrophobicContact CB-CG2 4.47Å; L5-V64 HydrophobicContact CG-CG2 4.39Å; F8-V64 HydrophobicContact CD2-CG1 4.26Å; F8-V64 HydrophobicContact CE2-CG1 3.99Å; V64-L67 WeakPolarHBondContact O-CB 3.36Å; V64-L67 PolarHBondContact O-N 2.78Å; V64-Y68 HydrophobicContact CG1-CD2 3.82Å; V64-Y68 HydrophobicContact CG1-CE2 3.58Å; V64-Y68 VanDerWaalsContact O-CD2 3.3Å; V64-Y68 WeakPolarHBondContact O-CD2 3.45Å; V64-Y68 PolarHBondContact O-N 2.97Å
65E69.4Low66.7Low110 Ų11054.4 Ų54.451%0.51434%0.341SS..Hα-helixtrans-68.7-35.9176.1-69.3-60.5151.900112.7R14 S63 L67 Y68 Y69R14-E65 IonicContact CZ-OE2 2.96Å; R14-E65 IonicContact NH1-OE2 3.38Å; R14-E65 PolarHBondContact NH1-OE2 2.87Å; R14-E65 VanDerWaalsContact NH2-CD 3.33Å; R14-E65 IonicContact NH2-OE1 2.94Å; R14-E65 PolarHBondContact NH2-OE1 3.29Å; R14-E65 IonicContact NH2-OE2 2.63Å; R14-E65 PolarHBondContact NH2-OE2 2.81Å; S63-E65 PolarHBondContact O-N 3.45Å; E65-L67 VanDerWaalsContact C-N 3.34Å; E65-Y68 PolarHBondContact O-N 3.24Å; E65-Y69 VanDerWaalsContact O-CB 3.24Å; E65-Y69 WeakPolarHBondContact O-CB 3.29Å; E65-Y69 PolarHBondContact O-N 2.85Å
66Q69Low65.7Low104 Ų10453.3 Ų53.349%0.48632%0.322SS..Hα-helixtrans-67.2-36.1174-76.1165.6-33.700111.9T62 S63 Y69 A70T62-Q66 HydrophobicContact CG2-CB 4.37Å; S63-Q66 WeakPolarHBondContact O-CB 3.44Å; S63-Q66 PolarHBondContact O-N 3.08Å; S63-Q66 VanDerWaalsContact OG-CD 3.23Å; S63-Q66 VanDerWaalsContact OG-CG 3.23Å; S63-Q66 WeakPolarHBondContact OG-CG 3.09Å; S63-Q66 PolarHBondContact OG-N 3.45Å; S63-Q66 PolarHBondContact OG-OE1 3.36Å; Q66-Y69 PolarHBondContact O-N 3.42Å; Q66-A70 VanDerWaalsContact O-CB 3.31Å; Q66-A70 WeakPolarHBondContact O-CB 3.38Å; Q66-A70 PolarHBondContact O-N 3.18Å
67L71.3Confident65Low10 Ų1051 Ų515%0.05230%0.295CS..Hα-helixtrans-64.1-47.6173.9-79156.4000111.7L5 F8 C53 T62 S63 V64 E65 Y69 A70 K71L5-L67 HydrophobicContact CD2-CD1 3.62Å; F8-L67 HydrophobicContact CE1-CB 4.25Å; F8-L67 HydrophobicContact CZ-CB 4.24Å; C53-L67 HydrophobicContact CB-CD2 4.29Å; C53-L67 WeakPolarHBondContact SG-CD2 3.38Å; T62-L67 HydrophobicContact CG2-CD1 4.03Å; T62-L67 HydrophobicContact CG2-CD2 4.28Å; T62-L67 HydrophobicContact CG2-CG 3.72Å; S63-L67 PolarHBondContact O-N 3.25Å; S63-L67 VanDerWaalsContact O-N 3.15Å; V64-L67 WeakPolarHBondContact O-CB 3.36Å; V64-L67 PolarHBondContact O-N 2.78Å; E65-L67 VanDerWaalsContact C-N 3.34Å; L67-Y69 VanDerWaalsContact C-N 3.32Å; L67-Y69 PolarHBondContact O-N 2.94Å; L67-A70 PolarHBondContact O-N 3.25Å; L67-K71 WeakPolarHBondContact O-CB 3.48Å; L67-K71 PolarHBondContact O-N 3.05Å
68Y71.1Confident64Low50 Ų5047.5 Ų47.520%0.19627%0.271CS..Hα-helixtrans-64-37.8175.5-79.4-54.9000112.7F8 R14 V64 E65 T72F8-Y68 HydrophobicContact CE2-CD1 4.17Å; F8-Y68 HydrophobicContact CE2-CD2 4.17Å; F8-Y68 AromaticContact CE2-CE1 3.56Å; F8-Y68 HydrophobicContact CE2-CE1 3.56Å; F8-Y68 AromaticContact CE2-CE2 3.6Å; F8-Y68 HydrophobicContact CE2-CE2 3.6Å; F8-Y68 HydrophobicContact CE2-CG 4.43Å; F8-Y68 AromaticContact CE2-CZ 3.25Å; F8-Y68 WeakPolarHBondContact CE2-OH 3.37Å; F8-Y68 AromaticContact CZ-CD1 3.81Å; F8-Y68 HydrophobicContact CZ-CD1 3.81Å; F8-Y68 HydrophobicContact CZ-CD2 4.43Å; F8-Y68 AromaticContact CZ-CE1 3.51Å; F8-Y68 HydrophobicContact CZ-CE1 3.51Å; F8-Y68 HydrophobicContact CZ-CE2 4.2Å; F8-Y68 HydrophobicContact CZ-CG 4.25Å; F8-Y68 AromaticContact CZ-CZ 3.74Å; R14-Y68 HydrophobicContact CB-CD1 3.69Å; R14-Y68 HydrophobicContact CB-CE1 3.52Å; R14-Y68 HydrophobicContact CG-CD1 3.74Å; R14-Y68 HydrophobicContact CG-CD2 4.43Å; R14-Y68 HydrophobicContact CG-CE1 3.61Å; R14-Y68 HydrophobicContact CG-CE2 4.29Å; R14-Y68 HydrophobicContact CG-CG 4.17Å; V64-Y68 HydrophobicContact CG1-CD2 3.82Å; V64-Y68 HydrophobicContact CG1-CE2 3.58Å; V64-Y68 VanDerWaalsContact O-CD2 3.3Å; V64-Y68 WeakPolarHBondContact O-CD2 3.45Å; V64-Y68 PolarHBondContact O-N 2.97Å; E65-Y68 PolarHBondContact O-N 3.24Å; Y68-T72 WeakPolarHBondContact O-CB 3.42Å; Y68-T72 PolarHBondContact O-N 2.63Å; Y68-T72 PolarHBondContact O-OG1 3.38Å
69Y69.5Low63.1Low89 Ų8947.7 Ų47.735%0.34927%0.272SS..Iπ-helixtrans-63.6-52.1175.6-174.6-87.4000111E65 Q66 L67 K71 R73 L74E65-Y69 VanDerWaalsContact O-CB 3.24Å; E65-Y69 WeakPolarHBondContact O-CB 3.29Å; E65-Y69 PolarHBondContact O-N 2.85Å; Q66-Y69 PolarHBondContact O-N 3.42Å; L67-Y69 VanDerWaalsContact C-N 3.32Å; L67-Y69 PolarHBondContact O-N 2.94Å; Y69-K71 PolarHBondContact O-N 3.34Å; Y69-R73 VanDerWaalsContact CD2-CD 3.45Å; Y69-R73 HydrophobicContact CE2-CG 4.46Å; Y69-R73 VanDerWaalsContact CZ-CD 3.41Å; Y69-R73 WeakPolarHBondContact O-CA 2.89Å; Y69-R73 WeakPolarHBondContact O-CB 3.36Å; Y69-R73 PolarHBondContact O-N 3.43Å; Y69-R73 PolarHBondContact OH-NE 3.1Å; Y69-L74 HydrophobicContact CD1-CD1 4.12Å; Y69-L74 HydrophobicContact CE1-CD1 3.76Å; Y69-L74 HydrophobicContact CE1-CG 4.29Å; Y69-L74 PolarHBondContact O-N 3.29Å
70A63.1Low62.1Low5 Ų550.8 Ų50.84%0.04129%0.285CS..Iπ-helixtrans-61.8-45.9179.400000112.4A46 L49 V50 Q66 L67 L74 Y75A46-A70 HydrophobicContact CB-CB 3.84Å; L49-A70 HydrophobicContact CD2-CB 3.83Å; V50-A70 HydrophobicContact CG2-CB 4.5Å; Q66-A70 VanDerWaalsContact O-CB 3.31Å; Q66-A70 WeakPolarHBondContact O-CB 3.38Å; Q66-A70 PolarHBondContact O-N 3.18Å; L67-A70 PolarHBondContact O-N 3.25Å; A70-L74 WeakPolarHBondContact O-CB 3.42Å; A70-L74 PolarHBondContact O-N 3.28Å; A70-Y75 WeakPolarHBondContact O-CB 3.38Å; A70-Y75 PolarHBondContact O-N 2.9Å
71K69.1Low61.5Low9 Ų946.2 Ų46.24%0.03926%0.255CS..Iπ-helixtrans-64.9-60.1179.2177.2-171.3169.4173.60112.3I10 D11 A12 V50 L67 Y69 Y75 Q76I10-K71 WeakPolarHBondContact O-CD 3.47Å; I10-K71 WeakPolarHBondContact O-CE 3.49Å; I10-K71 PolarHBondContact O-NZ 3.43Å; D11-K71 VanDerWaalsContact C-NZ 3.35Å; D11-K71 PolarHBondContact O-NZ 3.41Å; A12-K71 PolarHBondContact O-NZ 3.49Å; V50-K71 HydrophobicContact CG2-CB 4.18Å; L67-K71 WeakPolarHBondContact O-CB 3.48Å; L67-K71 PolarHBondContact O-N 3.05Å; Y69-K71 PolarHBondContact O-N 3.34Å; K71-Y75 WeakPolarHBondContact O-CB 3.48Å; K71-Q76 PolarHBondContact O-N 2.88Å
72T59.3Low60.3Low1 Ų145.4 Ų45.41%0.00625%0.247CC..Iπ-helixtrans-84.6-34.4-165.8-55.80000112W15 N29 I30 Y68W15-T72 HydrophobicContact CZ3-CG2 4.21Å; N29-T72 VanDerWaalsContact ND2-CG2 3.31Å; N29-T72 WeakPolarHBondContact ND2-CG2 3.41Å; I30-T72 HydrophobicContact CG1-CG2 3.89Å; Y68-T72 WeakPolarHBondContact O-CB 3.42Å; Y68-T72 PolarHBondContact O-N 2.63Å; Y68-T72 PolarHBondContact O-OG1 3.38Å
73R59.5Low59.1Low28 Ų2846 Ų4611%0.10625%0.251CS..Iπ-helixtrans-92.6-31-172.1-160.8-171.3173.8119.5-5.2113.4D32 T35 Y69 S77D32-R73 IonicContact OD1-NH2 3.25Å; D32-R73 PolarHBondContact OD1-NH2 3.11Å; D32-R73 IonicContact OD2-CZ 3.43Å; D32-R73 IonicContact OD2-NE 3.91Å; D32-R73 IonicContact OD2-NH1 3.05Å; D32-R73 PolarHBondContact OD2-NH1 3.06Å; D32-R73 IonicContact OD2-NH2 2.78Å; D32-R73 PolarHBondContact OD2-NH2 3.08Å; T35-R73 WeakPolarHBondContact OG1-CG 3.33Å; T35-R73 PolarHBondContact OG1-NE 3.44Å; Y69-R73 VanDerWaalsContact CD2-CD 3.45Å; Y69-R73 HydrophobicContact CE2-CG 4.46Å; Y69-R73 VanDerWaalsContact CZ-CD 3.41Å; Y69-R73 WeakPolarHBondContact O-CA 2.89Å; Y69-R73 WeakPolarHBondContact O-CB 3.36Å; Y69-R73 PolarHBondContact O-N 3.43Å; Y69-R73 PolarHBondContact OH-NE 3.1Å; R73-S77 WeakPolarHBondContact O-CB 3.35Å; R73-S77 PolarHBondContact O-OG 3.04Å; R73-S77 VanDerWaalsContact O-OG 3.07Å
74L58.4Low57.4Low8 Ų843.7 Ų43.74%0.04224%0.236CC..Iπ-helixtrans-108-54.4-176-67.1171.9000111.1T35 L38 L43 A46 Y69 A70 C78T35-L74 HydrophobicContact CG2-CD2 3.92Å; L38-L74 HydrophobicContact CD1-CD2 3.72Å; L43-L74 HydrophobicContact CD1-CB 4.02Å; L43-L74 WeakPolarHBondContact CD1-O 3.42Å; A46-L74 HydrophobicContact CB-CB 3.62Å; A46-L74 HydrophobicContact CB-CD1 3.4Å; A46-L74 VanDerWaalsContact CB-CD1 3.4Å; A46-L74 HydrophobicContact CB-CG 4.14Å; Y69-L74 HydrophobicContact CD1-CD1 4.12Å; Y69-L74 HydrophobicContact CE1-CD1 3.76Å; Y69-L74 HydrophobicContact CE1-CG 4.29Å; Y69-L74 PolarHBondContact O-N 3.29Å; A70-L74 WeakPolarHBondContact O-CB 3.42Å; A70-L74 PolarHBondContact O-N 3.28Å; L74-C78 VanDerWaalsContact O-CB 3.24Å; L74-C78 WeakPolarHBondContact O-CB 3.19Å; L74-C78 PolarHBondContact O-N 3.22Å; L74-C78 PolarHBondContact O-SG 2.66Å; L74-C78 VanDerWaalsContact O-SG 3.41Å
75Y61.2Low55.9Low42 Ų4243.2 Ų43.217%0.16524%0.239CC..Iπ-helixtrans-68.5-55.4-177-175.4-93.3000112.5K47 V50 R54 A70 K71 S77 C78 V79K47-Y75 HydrophobicContact CB-CD2 4.46Å; K47-Y75 HydrophobicContact CG-CD2 4.2Å; K47-Y75 HydrophobicContact CG-CE2 4.18Å; V50-Y75 HydrophobicContact CB-CD2 4.35Å; V50-Y75 HydrophobicContact CB-CG 4.48Å; V50-Y75 HydrophobicContact CG1-CD1 4.35Å; V50-Y75 HydrophobicContact CG1-CD2 4.31Å; V50-Y75 HydrophobicContact CG1-CE1 4.48Å; V50-Y75 HydrophobicContact CG1-CE2 4.43Å; V50-Y75 HydrophobicContact CG1-CG 4.26Å; V50-Y75 HydrophobicContact CG2-CG 4.35Å; R54-Y75 PolarHBondContact NH1-OH 2.84Å; A70-Y75 WeakPolarHBondContact O-CB 3.38Å; A70-Y75 PolarHBondContact O-N 2.9Å; K71-Y75 WeakPolarHBondContact O-CB 3.48Å; Y75-S77 VanDerWaalsContact C-N 3.34Å; Y75-S77 PolarHBondContact O-N 3.25Å; Y75-C78 PolarHBondContact O-N 3.37Å; Y75-V79 HydrophobicContact CD1-CG2 4.15Å; Y75-V79 HydrophobicContact CD2-CG2 3.68Å; Y75-V79 HydrophobicContact CE1-CG2 4.09Å; Y75-V79 HydrophobicContact CE2-CG2 3.63Å; Y75-V79 HydrophobicContact CG-CG2 3.95Å; Y75-V79 WeakPolarHBondContact O-CB 3.49Å; Y75-V79 WeakPolarHBondContact O-CG2 3.42Å; Y75-V79 PolarHBondContact O-N 2.75Å
76Q58.2Low54.6Low56 Ų5642.1 Ų42.126%0.26223%0.234SC..Hα-helixtrans-66.1-33.6-178.4-75.2-178.7-39.900113.6K71 N80K71-Q76 PolarHBondContact O-N 2.88Å; Q76-N80 PolarHBondContact O-ND2 3.29Å
77S56.3Low53.1Low17 Ų1738.6 Ų38.612%0.11922%0.22CC..Hα-helixtrans-70.4-44.7177.5-55.50000111.8I30 R73 Y75 T81I30-S77 WeakPolarHBondContact CA-OG 3.12Å; I30-S77 WeakPolarHBondContact CG2-OG 3.37Å; I30-S77 PolarHBondContact O-OG 2.95Å; R73-S77 WeakPolarHBondContact O-CB 3.35Å; R73-S77 PolarHBondContact O-OG 3.04Å; R73-S77 VanDerWaalsContact O-OG 3.07Å; Y75-S77 VanDerWaalsContact C-N 3.34Å; Y75-S77 PolarHBondContact O-N 3.25Å; S77-T81 PolarHBondContact O-OG1 2.83Å
78C48.9Very low51.3Low4 Ų444.6 Ų44.63%0.02724%0.242CC..Hα-helixtrans-92.5-27-172.1-61.10000114.3L43 L74 Y75 N80 T81 G82L43-C78 HydrophobicContact CD1-CB 3.5Å; L43-C78 HydrophobicContact CD2-CB 3.55Å; L43-C78 HydrophobicContact CG-CB 4.17Å; L74-C78 VanDerWaalsContact O-CB 3.24Å; L74-C78 WeakPolarHBondContact O-CB 3.19Å; L74-C78 PolarHBondContact O-N 3.22Å; L74-C78 PolarHBondContact O-SG 2.66Å; L74-C78 VanDerWaalsContact O-SG 3.41Å; Y75-C78 PolarHBondContact O-N 3.37Å; C78-N80 VanDerWaalsContact C-N 3.27Å; C78-N80 PolarHBondContact O-N 3.49Å; C78-T81 CarbonylContact O-C 3.45Å; C78-T81 PolarHBondContact O-N 2.9Å; C78-G82 PolarHBondContact O-N 2.98Å
79V48.2Very low49.5Very low79 Ų7946.3 Ų46.348%0.47926%0.255SS..Hα-helixtrans-64.5-34.6176.7169.30000111.3Y75 T81Y75-V79 HydrophobicContact CD1-CG2 4.15Å; Y75-V79 HydrophobicContact CD2-CG2 3.68Å; Y75-V79 HydrophobicContact CE1-CG2 4.09Å; Y75-V79 HydrophobicContact CE2-CG2 3.63Å; Y75-V79 HydrophobicContact CG-CG2 3.95Å; Y75-V79 WeakPolarHBondContact O-CB 3.49Å; Y75-V79 WeakPolarHBondContact O-CG2 3.42Å; Y75-V79 PolarHBondContact O-N 2.75Å; V79-T81 VanDerWaalsContact C-N 3.26Å; V79-T81 PolarHBondContact O-N 2.94Å
80N46.4Very low48.1Very low122 Ų12245.4 Ų45.465%0.65225%0.253SS*.THydrogen-bonded Turntrans-72.8-18.1173.8-69-41.1000113.1Q76 C78Q76-N80 PolarHBondContact O-ND2 3.29Å; C78-N80 VanDerWaalsContact C-N 3.27Å; C78-N80 PolarHBondContact O-N 3.49Å
81T42.7Very low46.8Very low44 Ų4449.4 Ų49.427%0.2727%0.272SS..THydrogen-bonded Turntrans-109-7-176.8-35.70000113.1S77 C78 V79 S83 H86 F90S77-T81 PolarHBondContact O-OG1 2.83Å; C78-T81 CarbonylContact O-C 3.45Å; C78-T81 PolarHBondContact O-N 2.9Å; V79-T81 VanDerWaalsContact C-N 3.26Å; V79-T81 PolarHBondContact O-N 2.94Å; T81-S83 VanDerWaalsContact C-N 3.29Å; T81-S83 PolarHBondContact O-N 3.16Å; T81-H86 HydrophobicContact CG2-CB 4.26Å; T81-H86 PolarHBondContact O-ND1 2.99Å; T81-H86 VanDerWaalsContact O-ND1 3.09Å; T81-F90 HydrophobicContact CG2-CD2 3.89Å; T81-F90 HydrophobicContact CG2-CE2 3.99Å
82G38.7Very low45.1Very low61 Ų6150.8 Ų50.863%0.62929%0.289SS*.SBendtrans80.4-14.7176.800000116.2C78C78-G82 PolarHBondContact O-N 2.98Å
83S38.5Very low43.9Very low32 Ų3255.1 Ų55.122%0.22431%0.308CS..  trans179.6163.6169.758.30000111.5T81 H86T81-S83 VanDerWaalsContact C-N 3.29Å; T81-S83 PolarHBondContact O-N 3.16Å; S83-H86 PolarHBondContact O-N 3.09Å; S83-H86 WeakPolarHBondContact OG-CB 3.27Å; S83-H86 PolarHBondContact OG-CD2 2.8Å; S83-H86 VanDerWaalsContact OG-CD2 3.24Å; S83-H86 PolarHBondContact OG-N 2.77Å; S83-H86 PolarHBondContact OG-ND1 2.7Å
84A37.6Very low42.9Very low6 Ų655.3 Ų55.35%0.0531%0.312CS..Hα-helixtrans-73.5-34.2172.900000112.2D40 L43 H86 C87D40-A84 WeakPolarHBondContact OD1-CB 3.29Å; L43-A84 HydrophobicContact CD2-CB 3.93Å; A84-H86 PolarHBondContact O-N 3.25Å; A84-C87 WeakPolarHBondContact O-CB 3.31Å; A84-C87 PolarHBondContact O-N 2.95Å
85G37.3Very low41.9Very low30 Ų3058.6 Ų58.631%0.30933%0.332SS..Hα-helixtrans-55.3-32.3168.100000114.2D40 C87 L89D40-G85 PolarHBondContact OD1-N 3.36Å; G85-C87 VanDerWaalsContact C-N 3.33Å; G85-C87 PolarHBondContact O-N 3.46Å; G85-L89 PolarHBondContact O-N 3.28Å; G85-L89 VanDerWaalsContact O-N 3.1Å
86H42.1Very low40.5Very low87 Ų8764 Ų6440%0.40335%0.352SS..Hα-helixtrans-68.8-26.7173.2-70.2168.4000113.4T81 S83 A84 L89 F90T81-H86 HydrophobicContact CG2-CB 4.26Å; T81-H86 PolarHBondContact O-ND1 2.99Å; T81-H86 VanDerWaalsContact O-ND1 3.09Å; S83-H86 PolarHBondContact O-N 3.09Å; S83-H86 WeakPolarHBondContact OG-CB 3.27Å; S83-H86 PolarHBondContact OG-CD2 2.8Å; S83-H86 VanDerWaalsContact OG-CD2 3.24Å; S83-H86 PolarHBondContact OG-N 2.77Å; S83-H86 PolarHBondContact OG-ND1 2.7Å; A84-H86 PolarHBondContact O-N 3.25Å; H86-L89 CarbonylContact O-C 3.52Å; H86-L89 PolarHBondContact O-N 3.43Å; H86-F90 WeakPolarHBondContact O-CB 3.22Å; H86-F90 WeakPolarHBondContact O-CD2 3.22Å; H86-F90 PolarHBondContact O-N 2.89Å
87C37.9Very low39.6Very low31 Ų3162.9 Ų62.921%0.20935%0.348CS..Hα-helixtrans-66.4-42.4176.3-71.60000112.1A84 G85 F90 I91A84-C87 WeakPolarHBondContact O-CB 3.31Å; A84-C87 PolarHBondContact O-N 2.95Å; G85-C87 VanDerWaalsContact C-N 3.33Å; G85-C87 PolarHBondContact O-N 3.46Å; C87-F90 WeakPolarHBondContact O-CB 3.34Å; C87-F90 PolarHBondContact O-N 2.77Å; C87-I91 WeakPolarHBondContact O-CG1 3.43Å; C87-I91 PolarHBondContact O-N 3.38Å
88W32.7Very low38.8Very low136 Ų13663 Ų6352%0.51535%0.349SS..Hα-helixtrans-67.8-36.7170.9-80.8105000112.3A36 V37 F90 G92A36-W88 VanDerWaalsContact C-NE1 3.34Å; A36-W88 PolarHBondContact O-NE1 2.8Å; V37-W88 HydrophobicContact CB-CZ2 4.21Å; V37-W88 HydrophobicContact CG1-CZ2 4.25Å; V37-W88 HydrophobicContact CG2-CH2 4.48Å; V37-W88 HydrophobicContact CG2-CZ2 3.87Å; W88-F90 VanDerWaalsContact C-N 3.26Å; W88-F90 PolarHBondContact O-N 3.4Å; W88-G92 VanDerWaalsContact O-CA 3.3Å; W88-G92 WeakPolarHBondContact O-CA 3.42Å; W88-G92 PolarHBondContact O-N 3.2Å
89L34.2Very low38.1Very low86 Ų8665.6 Ų65.645%0.4537%0.367SS..Hα-helixtrans-63.7-36.3173.5-134.388.7000110.8G85 H86 K93G85-L89 PolarHBondContact O-N 3.28Å; G85-L89 VanDerWaalsContact O-N 3.1Å; H86-L89 CarbonylContact O-C 3.52Å; H86-L89 PolarHBondContact O-N 3.43Å; L89-K93 HydrophobicContact CD2-CD 4.23Å; L89-K93 VanDerWaalsContact CD2-NZ 3.27Å; L89-K93 HydrophobicContact CG-CD 4.27Å; L89-K93 WeakPolarHBondContact O-CA 3.44Å; L89-K93 WeakPolarHBondContact O-CB 3.3Å; L89-K93 WeakPolarHBondContact O-CD 3.3Å; L89-K93 WeakPolarHBondContact O-CG 3.28Å; L89-K93 PolarHBondContact O-N 3.24Å
90F39Very low37.3Very low70 Ų7065.6 Ų65.631%0.30736%0.362SS..Hα-helixtrans-67-57.2175.1-97.4-68.4000110.8T81 H86 C87 W88 G92 K93 T94 V135T81-F90 HydrophobicContact CG2-CD2 3.89Å; T81-F90 HydrophobicContact CG2-CE2 3.99Å; H86-F90 WeakPolarHBondContact O-CB 3.22Å; H86-F90 WeakPolarHBondContact O-CD2 3.22Å; H86-F90 PolarHBondContact O-N 2.89Å; C87-F90 WeakPolarHBondContact O-CB 3.34Å; C87-F90 PolarHBondContact O-N 2.77Å; W88-F90 VanDerWaalsContact C-N 3.26Å; W88-F90 PolarHBondContact O-N 3.4Å; F90-G92 PolarHBondContact O-N 2.81Å; F90-K93 PolarHBondContact O-N 2.8Å; F90-T94 VanDerWaalsContact O-CB 3.31Å; F90-T94 WeakPolarHBondContact O-CB 3.26Å; F90-T94 PolarHBondContact O-N 2.99Å; F90-T94 PolarHBondContact O-OG1 3.2Å; F90-V135 HydrophobicContact CE1-CG1 4.26Å; F90-V135 WeakPolarHBondContact CE1-O 3.48Å; F90-V135 VanDerWaalsContact CZ-O 3.26Å; F90-V135 WeakPolarHBondContact CZ-O 3.39Å
91I37.4Very low36.9Very low89 Ų8962.6 Ų62.646%0.45634%0.344SS..Hα-helixtrans-61.7-44.8-180-64.3167.2000110.8A36 C87 T94 V95A36-I91 HydrophobicContact CB-CD1 4.21Å; C87-I91 WeakPolarHBondContact O-CG1 3.43Å; C87-I91 PolarHBondContact O-N 3.38Å; I91-T94 PolarHBondContact O-N 3.49Å; I91-V95 HydrophobicContact CG2-CG2 4.44Å; I91-V95 WeakPolarHBondContact O-CB 3.41Å; I91-V95 VanDerWaalsContact O-CG2 3.26Å; I91-V95 WeakPolarHBondContact O-CG2 3.46Å; I91-V95 PolarHBondContact O-N 3.19Å
92G32.1Very low36.6Very low37 Ų3762.7 Ų62.738%0.38135%0.349SS..Hα-helixtrans-66.3-40.7178.900000113W88 F90 W96W88-G92 VanDerWaalsContact O-CA 3.3Å; W88-G92 WeakPolarHBondContact O-CA 3.42Å; W88-G92 PolarHBondContact O-N 3.2Å; F90-G92 PolarHBondContact O-N 2.81Å; G92-W96 WeakPolarHBondContact O-CB 3.37Å; G92-W96 PolarHBondContact O-N 3.34Å
93K35.3Very low36.1Very low93 Ų9365.7 Ų65.740%0.40435%0.347SS..Hα-helixtrans-68.5-38.6171.6-72.8170.6174.8-177.60111.3L89 F90 W96 L97 F134L89-K93 HydrophobicContact CD2-CD 4.23Å; L89-K93 VanDerWaalsContact CD2-NZ 3.27Å; L89-K93 HydrophobicContact CG-CD 4.27Å; L89-K93 WeakPolarHBondContact O-CA 3.44Å; L89-K93 WeakPolarHBondContact O-CB 3.3Å; L89-K93 WeakPolarHBondContact O-CD 3.3Å; L89-K93 WeakPolarHBondContact O-CG 3.28Å; L89-K93 PolarHBondContact O-N 3.24Å; F90-K93 PolarHBondContact O-N 2.8Å; K93-W96 PolarHBondContact O-N 3Å; K93-L97 HydrophobicContact CB-CD1 4.35Å; K93-L97 WeakPolarHBondContact O-CB 3.26Å; K93-L97 WeakPolarHBondContact O-CD1 3.44Å; K93-L97 PolarHBondContact O-N 3.42Å; K93-F134 HydrophobicContact CB-CE1 3.87Å; K93-F134 HydrophobicContact CB-CZ 4.31Å
94T38.7Very low35.9Very low32 Ų3267.4 Ų67.420%0.19636%0.356CS..Hα-helixtrans-61-45.7174.8-58.30000110.8F90 I91 C98 L131F90-T94 VanDerWaalsContact O-CB 3.31Å; F90-T94 WeakPolarHBondContact O-CB 3.26Å; F90-T94 PolarHBondContact O-N 2.99Å; F90-T94 PolarHBondContact O-OG1 3.2Å; I91-T94 PolarHBondContact O-N 3.49Å; T94-C98 WeakPolarHBondContact O-CB 3.26Å; T94-C98 PolarHBondContact O-N 3.39Å; T94-C98 PolarHBondContact O-SG 3.06Å; T94-L131 HydrophobicContact CG2-CD1 3.57Å; T94-L131 HydrophobicContact CG2-CG 4.12Å
95V36.7Very low35.9Very low77 Ų7771.7 Ų71.747%0.46737%0.371SS..Hα-helixtrans-69.9-40.7177.8172.60000112.3I91 C98 S99I91-V95 HydrophobicContact CG2-CG2 4.44Å; I91-V95 WeakPolarHBondContact O-CB 3.41Å; I91-V95 VanDerWaalsContact O-CG2 3.26Å; I91-V95 WeakPolarHBondContact O-CG2 3.46Å; I91-V95 PolarHBondContact O-N 3.19Å; V95-C98 PolarHBondContact O-N 3.38Å; V95-S99 WeakPolarHBondContact O-CB 3.44Å; V95-S99 PolarHBondContact O-N 3.18Å; V95-S99 PolarHBondContact O-OG 3.4Å
96W32.6Very low35.8Very low154 Ų15474.3 Ų74.358%0.58338%0.378SS*.Hα-helixtrans-65.5-43176.2-177.683.3000111.5G92 K93 S99 Q100G92-W96 WeakPolarHBondContact O-CB 3.37Å; G92-W96 PolarHBondContact O-N 3.34Å; K93-W96 PolarHBondContact O-N 3Å; W96-S99 CarbonylContact O-C 3.58Å; W96-S99 WeakPolarHBondContact O-CA 3.11Å; W96-S99 WeakPolarHBondContact O-CB 3.22Å; W96-S99 PolarHBondContact O-N 3.36Å; W96-S99 VanDerWaalsContact O-N 3.13Å; W96-Q100 HydrophobicContact CD2-CG 4.05Å; W96-Q100 HydrophobicContact CE3-CG 4.13Å; W96-Q100 HydrophobicContact CH2-CG 4.02Å; W96-Q100 HydrophobicContact CZ2-CG 3.93Å; W96-Q100 HydrophobicContact CZ3-CG 4.11Å; W96-Q100 WeakPolarHBondContact O-CG 3.05Å; W96-Q100 PolarHBondContact O-N 2.94Å
97L37.9Very low35.2Very low33 Ų3374.3 Ų74.317%0.17338%0.384CS..Hα-helixtrans-68.2-38.7173-89.1103.6000112.5K93 S99 Q100 M101 F134K93-L97 HydrophobicContact CB-CD1 4.35Å; K93-L97 WeakPolarHBondContact O-CB 3.26Å; K93-L97 WeakPolarHBondContact O-CD1 3.44Å; K93-L97 PolarHBondContact O-N 3.42Å; L97-S99 PolarHBondContact O-N 3.47Å; L97-Q100 PolarHBondContact O-N 3.3Å; L97-Q100 VanDerWaalsContact O-N 3.15Å; L97-M101 WeakPolarHBondContact O-CB 3.29Å; L97-M101 WeakPolarHBondContact O-CG 3.21Å; L97-M101 PolarHBondContact O-N 3.5Å; L97-F134 HydrophobicContact CD1-CD1 4.1Å; L97-F134 HydrophobicContact CD1-CD2 4.47Å; L97-F134 HydrophobicContact CD1-CE1 3.46Å; L97-F134 VanDerWaalsContact CD1-CE1 3.46Å; L97-F134 HydrophobicContact CD1-CE2 3.85Å; L97-F134 HydrophobicContact CD1-CZ 3.3Å; L97-F134 HydrophobicContact CD2-CD1 4.42Å; L97-F134 HydrophobicContact CD2-CD2 3.93Å; L97-F134 HydrophobicContact CD2-CE1 4.46Å; L97-F134 HydrophobicContact CD2-CE2 3.94Å; L97-F134 HydrophobicContact CD2-CG 4.18Å; L97-F134 HydrophobicContact CD2-CZ 4.22Å; L97-F134 HydrophobicContact CG-CZ 4.41Å
98C39.2Very low35Very low21 Ų2176.7 Ų76.714%0.14239%0.394CS..Hα-helixtrans-55.1-36.8169.3-760000111.3T94 V95 A102 L131 V263T94-C98 WeakPolarHBondContact O-CB 3.26Å; T94-C98 PolarHBondContact O-N 3.39Å; T94-C98 PolarHBondContact O-SG 3.06Å; V95-C98 PolarHBondContact O-N 3.38Å; C98-A102 WeakPolarHBondContact O-CB 3.43Å; C98-A102 PolarHBondContact O-N 2.99Å; C98-L131 WeakPolarHBondContact SG-CD1 3.23Å; C98-V263 HydrophobicContact CB-CG2 4.42Å
99S34.3Very low35Very low57 Ų5775 Ų7540%0.39939%0.392SS..Hα-helixtrans-74.3-36.1177.4-53.50000113V95 W96 L97 A102 H103V95-S99 WeakPolarHBondContact O-CB 3.44Å; V95-S99 PolarHBondContact O-N 3.18Å; V95-S99 PolarHBondContact O-OG 3.4Å; W96-S99 CarbonylContact O-C 3.58Å; W96-S99 WeakPolarHBondContact O-CA 3.11Å; W96-S99 WeakPolarHBondContact O-CB 3.22Å; W96-S99 PolarHBondContact O-N 3.36Å; W96-S99 VanDerWaalsContact O-N 3.13Å; L97-S99 PolarHBondContact O-N 3.47Å; S99-A102 WeakPolarHBondContact O-CB 3.41Å; S99-A102 PolarHBondContact O-N 3.3Å; S99-H103 PolarHBondContact O-N 3.18Å; S99-H103 PolarHBondContact O-ND1 3.11Å
100Q32.5Very low34.7Very low80 Ų8078.3 Ų78.337%0.37441%0.407SS..Hα-helixtrans-71-36.1173.1-67.1-59.6-69.100111.9W96 L97 A102 H103 V104W96-Q100 HydrophobicContact CD2-CG 4.05Å; W96-Q100 HydrophobicContact CE3-CG 4.13Å; W96-Q100 HydrophobicContact CH2-CG 4.02Å; W96-Q100 HydrophobicContact CZ2-CG 3.93Å; W96-Q100 HydrophobicContact CZ3-CG 4.11Å; W96-Q100 WeakPolarHBondContact O-CG 3.05Å; W96-Q100 PolarHBondContact O-N 2.94Å; L97-Q100 PolarHBondContact O-N 3.3Å; L97-Q100 VanDerWaalsContact O-N 3.15Å; Q100-A102 VanDerWaalsContact C-N 3.31Å; Q100-H103 WeakPolarHBondContact O-CA 3.45Å; Q100-H103 WeakPolarHBondContact O-CB 3.37Å; Q100-H103 PolarHBondContact O-N 2.94Å; Q100-V104 PolarHBondContact O-N 2.95Å
101M37.7Very low34.3Very low59 Ų5981.3 Ų81.329%0.29143%0.426SS..Hα-helixtrans-66.5-34.4171.6-67.4-62.9102.500111.4L97 H103 V104 Y105L97-M101 WeakPolarHBondContact O-CB 3.29Å; L97-M101 WeakPolarHBondContact O-CG 3.21Å; L97-M101 PolarHBondContact O-N 3.5Å; M101-H103 PolarHBondContact O-N 2.84Å; M101-V104 HydrophobicContact CE-CG2 4.28Å; M101-V104 PolarHBondContact O-N 3.3Å; M101-Y105 WeakPolarHBondContact O-CB 3.17Å; M101-Y105 PolarHBondContact O-N 3.28Å
102A35.4Very low34.1Very low45 Ų4582.3 Ų82.337%0.37243%0.428SS..Hα-helixtrans-66.4-21.5169.600000113.3C98 S99 Q100 Y105C98-A102 WeakPolarHBondContact O-CB 3.43Å; C98-A102 PolarHBondContact O-N 2.99Å; S99-A102 WeakPolarHBondContact O-CB 3.41Å; S99-A102 PolarHBondContact O-N 3.3Å; Q100-A102 VanDerWaalsContact C-N 3.31Å; A102-Y105 WeakPolarHBondContact O-CB 3.39Å; A102-Y105 WeakPolarHBondContact O-CD1 3.42Å
103H30.1Very low34.1Very low125 Ų12586.5 Ų86.558%0.57945%0.447SS*.Hα-helixtrans-81-38.9170.3-91.153.2000112.7S99 Q100 M101 Y105 N106 T107S99-H103 PolarHBondContact O-N 3.18Å; S99-H103 PolarHBondContact O-ND1 3.11Å; Q100-H103 WeakPolarHBondContact O-CA 3.45Å; Q100-H103 WeakPolarHBondContact O-CB 3.37Å; Q100-H103 PolarHBondContact O-N 2.94Å; M101-H103 PolarHBondContact O-N 2.84Å; H103-Y105 PolarHBondContact O-N 3.29Å; H103-N106 PolarHBondContact O-N 2.91Å; H103-T107 PolarHBondContact O-N 3.33Å; H103-T107 PolarHBondContact O-OG1 3.47Å
104V32.4Very low34Very low68 Ų6891 Ų9141%0.41247%0.466SS..Hα-helixtrans-63.1-35.1170.91780000110.6Q100 M101 T107 I108Q100-V104 PolarHBondContact O-N 2.95Å; M101-V104 HydrophobicContact CE-CG2 4.28Å; M101-V104 PolarHBondContact O-N 3.3Å; V104-T107 WeakPolarHBondContact O-CA 3.45Å; V104-T107 WeakPolarHBondContact O-CB 3.46Å; V104-T107 PolarHBondContact O-N 3.3Å; V104-I108 HydrophobicContact CG1-CD1 3.79Å; V104-I108 HydrophobicContact CG1-CG1 4.2Å; V104-I108 WeakPolarHBondContact O-CG1 3.45Å; V104-I108 PolarHBondContact O-N 2.87Å
105Y39.2Very low33.6Very low95 Ų9597.6 Ų97.637%0.37350%0.495SS..Hα-helixtrans-51.6-51.8169.8158.4-90000112.9M101 A102 H103 T107 I108 E109 L123M101-Y105 WeakPolarHBondContact O-CB 3.17Å; M101-Y105 PolarHBondContact O-N 3.28Å; A102-Y105 WeakPolarHBondContact O-CB 3.39Å; A102-Y105 WeakPolarHBondContact O-CD1 3.42Å; H103-Y105 PolarHBondContact O-N 3.29Å; Y105-T107 PolarHBondContact O-N 3.29Å; Y105-I108 PolarHBondContact O-N 2.93Å; Y105-E109 WeakPolarHBondContact CE1-OE2 3.49Å; Y105-E109 WeakPolarHBondContact O-CB 3.33Å; Y105-E109 PolarHBondContact O-N 3.19Å; Y105-E109 PolarHBondContact OH-OE2 3.44Å; Y105-L123 HydrophobicContact CD2-CD1 3.82Å; Y105-L123 HydrophobicContact CD2-CD2 3.73Å; Y105-L123 HydrophobicContact CD2-CG 4.39Å; Y105-L123 HydrophobicContact CE2-CD2 3.89Å
106N33.8Very low33.3Very low86 Ų8698.4 Ų98.446%0.4651%0.509SS..Hα-helixtrans-63-26.6177.3-76.5-22.3000112.5H103 M110H103-N106 PolarHBondContact O-N 2.91Å; N106-M110 VanDerWaalsContact O-CG 3.26Å; N106-M110 WeakPolarHBondContact O-CG 3.45Å; N106-M110 PolarHBondContact O-N 3.04Å
107T29.4Very low33.5Very low86 Ų8699.2 Ų99.253%0.52853%0.525SS..Hα-helixtrans-82.9-34-177.8-48.50000111.8H103 V104 Y105H103-T107 PolarHBondContact O-N 3.33Å; H103-T107 PolarHBondContact O-OG1 3.47Å; V104-T107 WeakPolarHBondContact O-CA 3.45Å; V104-T107 WeakPolarHBondContact O-CB 3.46Å; V104-T107 PolarHBondContact O-N 3.3Å; Y105-T107 PolarHBondContact O-N 3.29Å
108I34.2Very low33.7Very low81 Ų81100.4 Ų100.442%0.41555%0.546SS..Hα-helixtrans-80.7-34.1175.8-64.1178.1000111.2V104 Y105 M110 L111 E112V104-I108 HydrophobicContact CG1-CD1 3.79Å; V104-I108 HydrophobicContact CG1-CG1 4.2Å; V104-I108 WeakPolarHBondContact O-CG1 3.45Å; V104-I108 PolarHBondContact O-N 2.87Å; Y105-I108 PolarHBondContact O-N 2.93Å; I108-M110 PolarHBondContact O-N 3.39Å; I108-L111 CarbonylContact O-C 3.35Å; I108-L111 WeakPolarHBondContact O-CA 3.49Å; I108-L111 WeakPolarHBondContact O-CB 3.31Å; I108-L111 PolarHBondContact O-N 3.41Å; I108-E112 HydrophobicContact CG2-CG 4.35Å; I108-E112 PolarHBondContact O-N 2.88Å
109E32.2Very low34Very low102 Ų102103.1 Ų103.148%0.47756%0.564SS.*Hα-helixtrans-60.3-34.7171.2-169.3175.7179.300111.6Y105 L111 E112Y105-E109 WeakPolarHBondContact CE1-OE2 3.49Å; Y105-E109 WeakPolarHBondContact O-CB 3.33Å; Y105-E109 PolarHBondContact O-N 3.19Å; Y105-E109 PolarHBondContact OH-OE2 3.44Å; E109-L111 VanDerWaalsContact C-N 3.29Å; E109-L111 PolarHBondContact O-N 3.39Å; E109-E112 PolarHBondContact O-N 3.42Å
110M28.5Very low34.3Very low155 Ų155104.4 Ų104.476%0.76457%0.573SS**Hα-helixtrans-65.6-27.6169.9-77.5-85.2-172.600113.4N106 I108 T113N106-M110 VanDerWaalsContact O-CG 3.26Å; N106-M110 WeakPolarHBondContact O-CG 3.45Å; N106-M110 PolarHBondContact O-N 3.04Å; I108-M110 PolarHBondContact O-N 3.39Å; M110-T113 PolarHBondContact O-OG1 3.21Å
111L31Very low34.6Very low132 Ų132102.4 Ų102.469%0.69157%0.565SS**Hα-helixtrans-86.8-26.8178.6-76.4158.8000112.7I108 E109I108-L111 CarbonylContact O-C 3.35Å; I108-L111 WeakPolarHBondContact O-CA 3.49Å; I108-L111 WeakPolarHBondContact O-CB 3.31Å; I108-L111 PolarHBondContact O-N 3.41Å; E109-L111 VanDerWaalsContact C-N 3.29Å; E109-L111 PolarHBondContact O-N 3.39Å
112E32.7Very low34.7Very low110 Ų110101.3 Ų101.351%0.51456%0.562SS.*Hα-helixtrans-93.43.8-177.2-71.1-163.615900115.4I108 E109 K114 H115 S119I108-E112 HydrophobicContact CG2-CG 4.35Å; I108-E112 PolarHBondContact O-N 2.88Å; E109-E112 PolarHBondContact O-N 3.42Å; E112-K114 PolarHBondContact O-N 3.36Å; E112-H115 PolarHBondContact O-N 3.41Å; E112-S119 WeakPolarHBondContact OE2-CB 3.2Å
113T32Very low34.8Very low125 Ų125102.1 Ų102.177%0.76756%0.559SS**THydrogen-bonded Turntrans-64.5-0.1167.631.30000114M110M110-T113 PolarHBondContact O-OG1 3.21Å
114K33.7Very low35.3Very low188 Ų18897.8 Ų97.882%0.81754%0.54SS*.THydrogen-bonded Turntrans-107.9-5.2178.9-101.7-178.5-179.7177.10117.1E112E112-K114 PolarHBondContact O-N 3.36Å
115H29.6Very low35.8Very low171 Ų17194.5 Ų94.579%0.79252%0.521SS*.SBendtrans-145.2111.5174.4-112.962.3000113.5E112E112-H115 PolarHBondContact O-N 3.41Å
116A31.8Very low35.9Very low93 Ų9392.2 Ų92.277%0.76952%0.516SS*.  trans-20.2127.7172.600000118.5
117N36.6Very low36.4Very low171 Ų17190.6 Ų90.691%0.91451%0.509SS*.SBendtrans49.195.2147.2-75.9-5.6000118.4
118G42Very low37Very low59 Ų5987.4 Ų87.461%0.60849%0.489SS*.  trans175.917.916000000118.5
119S45.1Very low37.4Very low77 Ų7783.9 Ų83.954%0.53847%0.472SS..THydrogen-bonded Turntrans-108.421.6-146.3440000118.7E112E112-S119 WeakPolarHBondContact OE2-CB 3.2Å
120S40.2Very low38Very low84 Ų8479.9 Ų79.959%0.58745%0.454SS*.THydrogen-bonded Turntrans-110.4-21.6177.346.10000115
121L39.3Very low38.6Very low39 Ų3974.3 Ų74.320%0.20443%0.427CS..Hα-helixtrans-92.9-41.4-174.6-118.678.3000113.6L123 I124 L125 A171 R172 P175L121-L123 PolarHBondContact O-N 3.24Å; L121-L123 VanDerWaalsContact O-N 3.15Å; L121-I124 PolarHBondContact O-N 3.35Å; L121-L125 PolarHBondContact O-N 3.22Å; L121-A171 WeakPolarHBondContact CD2-O 3.34Å; L121-R172 HydrophobicContact CD2-CB 4.21Å; L121-R172 HydrophobicContact CD2-CG 3.96Å; L121-R172 VanDerWaalsContact CD2-O 3.29Å; L121-R172 WeakPolarHBondContact CD2-O 3.26Å; L121-P175 HydrophobicContact CB-CG 3.58Å; L121-P175 HydrophobicContact CD2-CG 3.32Å; L121-P175 HydrophobicContact CG-CG 3.31Å; L121-P175 WeakPolarHBondContact O-CG 3.39Å
122T38.8Very low39.1Very low35 Ų3569 Ų6922%0.21540%0.4CS..Hα-helixtrans-56.4-28172.4-41.30000112L125 V126 A156 N160T122-L125 WeakPolarHBondContact O-CB 3.5Å; T122-V126 WeakPolarHBondContact O-CG2 3.38Å; T122-V126 PolarHBondContact O-N 2.9Å; T122-A156 HydrophobicContact CG2-CB 4.26Å; T122-N160 VanDerWaalsContact CG2-ND2 3.35Å; T122-N160 WeakPolarHBondContact CG2-ND2 3.45Å; T122-N160 PolarHBondContact OG1-ND2 3.02Å
123L38.8Very low39.3Very low62 Ų6264 Ų6433%0.32538%0.378SS..Hα-helixtrans-69.4-53.2-179.9-172.180.3000112.9Y105 L121 L125 V126 V127Y105-L123 HydrophobicContact CD2-CD1 3.82Å; Y105-L123 HydrophobicContact CD2-CD2 3.73Å; Y105-L123 HydrophobicContact CD2-CG 4.39Å; Y105-L123 HydrophobicContact CE2-CD2 3.89Å; L121-L123 PolarHBondContact O-N 3.24Å; L121-L123 VanDerWaalsContact O-N 3.15Å; L123-L125 PolarHBondContact O-N 2.95Å; L123-V126 PolarHBondContact O-N 2.96Å; L123-V127 WeakPolarHBondContact O-CB 3.5Å; L123-V127 VanDerWaalsContact O-CG2 3.26Å; L123-V127 WeakPolarHBondContact O-CG2 3.41Å; L123-V127 PolarHBondContact O-N 2.85Å; L123-V127 VanDerWaalsContact O-N 3.11Å
124I40.3Very low39.6Very low34 Ų3460.4 Ų60.417%0.17435%0.351CS..Hα-helixtrans-60.9-34.2179.2-57.9172.8000110.1L121 V127 E128 M235L121-I124 PolarHBondContact O-N 3.35Å; I124-V127 PolarHBondContact O-N 3.31Å; I124-E128 WeakPolarHBondContact O-CB 3.48Å; I124-E128 PolarHBondContact O-N 2.86Å; I124-M235 HydrophobicContact CB-CE 4.45Å; I124-M235 HydrophobicContact CB-SD 4.28Å; I124-M235 HydrophobicContact CG2-CE 3.99Å; I124-M235 HydrophobicContact CG2-SD 3.37Å; I124-M235 WeakPolarHBondContact CG2-SD 3.4Å
125L42.1Very low39.8Very low0 Ų054.4 Ų54.40%033%0.33CS..Hα-helixtrans-60-54.3177.6-135.7173.1000114.6L121 T122 L123 V127 A129 A156 V174 P175 A178 V179 M235L121-L125 PolarHBondContact O-N 3.22Å; T122-L125 WeakPolarHBondContact O-CB 3.5Å; L123-L125 PolarHBondContact O-N 2.95Å; L125-V127 VanDerWaalsContact C-N 3.27Å; L125-A129 WeakPolarHBondContact O-CB 3.39Å; L125-A129 PolarHBondContact O-N 3.44Å; L125-A156 HydrophobicContact CD1-CB 4.17Å; L125-V174 HydrophobicContact CD1-CG1 3.98Å; L125-V174 WeakPolarHBondContact CD1-O 3.32Å; L125-P175 HydrophobicContact CB-CB 3.94Å; L125-P175 VanDerWaalsContact CD1-CA 3.47Å; L125-P175 HydrophobicContact CD1-CB 3.64Å; L125-P175 HydrophobicContact CD1-CG 4.05Å; L125-P175 WeakPolarHBondContact CD2-O 3.46Å; L125-P175 VanDerWaalsContact CG-CA 3.47Å; L125-P175 HydrophobicContact CG-CB 3.45Å; L125-P175 VanDerWaalsContact CG-CB 3.45Å; L125-P175 HydrophobicContact CG-CG 4.35Å; L125-P175 WeakPolarHBondContact CG-O 3.46Å; L125-A178 HydrophobicContact CD1-CB 4.08Å; L125-A178 HydrophobicContact CD2-CB 3.15Å; L125-A178 HydrophobicContact CG-CB 4.19Å; L125-V179 HydrophobicContact CD2-CG2 3.78Å; L125-V179 HydrophobicContact CG-CG2 4.49Å; L125-M235 HydrophobicContact CB-CE 4.32Å; L125-M235 HydrophobicContact CG-CE 4.2Å
126V42.7Very low40.4Very low46 Ų4649.8 Ų49.828%0.27931%0.311SS..Hα-helixtrans-67-38.8-180171.40000108.6T122 L123 V130 L153T122-V126 WeakPolarHBondContact O-CG2 3.38Å; T122-V126 PolarHBondContact O-N 2.9Å; L123-V126 PolarHBondContact O-N 2.96Å; V126-V130 HydrophobicContact CG1-CG2 4.25Å; V126-V130 WeakPolarHBondContact O-CB 3.33Å; V126-V130 WeakPolarHBondContact O-CG2 3.3Å; V126-V130 PolarHBondContact O-N 2.96Å; V126-L153 HydrophobicContact CG2-CD2 4.22Å
127V42.7Very low40.4Very low53 Ų5352.7 Ų52.732%0.32131%0.307SS..Hα-helixtrans-64.9-47.6178.3173.50000111.8L123 I124 L125 V130 L131L123-V127 WeakPolarHBondContact O-CB 3.5Å; L123-V127 VanDerWaalsContact O-CG2 3.26Å; L123-V127 WeakPolarHBondContact O-CG2 3.41Å; L123-V127 PolarHBondContact O-N 2.85Å; L123-V127 VanDerWaalsContact O-N 3.11Å; I124-V127 PolarHBondContact O-N 3.31Å; L125-V127 VanDerWaalsContact C-N 3.27Å; V127-V130 PolarHBondContact O-N 2.86Å; V127-L131 VanDerWaalsContact O-CB 3.25Å; V127-L131 WeakPolarHBondContact O-CB 3.02Å; V127-L131 PolarHBondContact O-N 2.93Å
128E42.9Very low40.4Very low19 Ų1950.7 Ų50.79%0.08930%0.296CS..Hα-helixtrans-71.4-35.9-179.4-164.4-177.6-154.700112.6I124 L131 T132 V179 A231 M235I124-E128 WeakPolarHBondContact O-CB 3.48Å; I124-E128 PolarHBondContact O-N 2.86Å; E128-L131 PolarHBondContact O-N 3.38Å; E128-T132 WeakPolarHBondContact O-CB 2.99Å; E128-T132 PolarHBondContact O-N 3.36Å; E128-T132 PolarHBondContact O-OG1 3.42Å; E128-V179 HydrophobicContact CB-CG2 4.18Å; E128-A231 WeakPolarHBondContact OE1-CA 3.3Å; E128-A231 VanDerWaalsContact OE1-CB 3.31Å; E128-A231 WeakPolarHBondContact OE1-CB 3.43Å; E128-M235 HydrophobicContact CB-CE 4.47Å; E128-M235 WeakPolarHBondContact OE2-CE 3.26Å; E128-M235 WeakPolarHBondContact OE2-CG 3.42Å
129A42.6Very low40.2Very low7 Ų759.7 Ų59.76%0.05831%0.311CS..Hα-helixtrans-64.1-41.5173.200000111.7L125 A133 A152 V179 A182L125-A129 WeakPolarHBondContact O-CB 3.39Å; L125-A129 PolarHBondContact O-N 3.44Å; A129-A133 WeakPolarHBondContact O-CB 3.34Å; A129-A133 PolarHBondContact O-N 2.87Å; A129-A133 VanDerWaalsContact O-N 3.13Å; A129-A152 HydrophobicContact CB-CB 3.87Å; A129-V179 HydrophobicContact CB-CG2 4.38Å; A129-A182 HydrophobicContact CB-CB 4.3Å
130V43.9Very low40.1Very low18 Ų1863.9 Ų63.911%0.10932%0.322CS..Hα-helixtrans-71.8-37.9175.8172.30000111.3V126 V127 T132 A133 F134 T149V126-V130 HydrophobicContact CG1-CG2 4.25Å; V126-V130 WeakPolarHBondContact O-CB 3.33Å; V126-V130 WeakPolarHBondContact O-CG2 3.3Å; V126-V130 PolarHBondContact O-N 2.96Å; V127-V130 PolarHBondContact O-N 2.86Å; V130-T132 VanDerWaalsContact C-N 3.33Å; V130-T132 PolarHBondContact O-N 3.15Å; V130-A133 PolarHBondContact O-N 3.39Å; V130-F134 WeakPolarHBondContact O-CB 3.18Å; V130-F134 PolarHBondContact O-N 3.33Å; V130-T149 HydrophobicContact CG2-CG2 4.12Å
131L42.8Very low40.8Very low37 Ų3761.3 Ų61.319%0.19430%0.302CS..Hα-helixtrans-60-43175.4-154.183000111.3T94 C98 V127 E128 L270T94-L131 HydrophobicContact CG2-CD1 3.57Å; T94-L131 HydrophobicContact CG2-CG 4.12Å; C98-L131 WeakPolarHBondContact SG-CD1 3.23Å; V127-L131 VanDerWaalsContact O-CB 3.25Å; V127-L131 WeakPolarHBondContact O-CB 3.02Å; V127-L131 PolarHBondContact O-N 2.93Å; E128-L131 PolarHBondContact O-N 3.38Å; L131-L270 HydrophobicContact CD2-CD1 4.27Å
132T39.8Very low41.5Very low21 Ų2161.6 Ų61.613%0.12931%0.313CS..Hα-helixtrans-69.8-34.2177.9-53.80000112E128 V130 N183E128-T132 WeakPolarHBondContact O-CB 2.99Å; E128-T132 PolarHBondContact O-N 3.36Å; E128-T132 PolarHBondContact O-OG1 3.42Å; V130-T132 VanDerWaalsContact C-N 3.33Å; V130-T132 PolarHBondContact O-N 3.15Å; T132-N183 WeakPolarHBondContact CG2-OD1 3.38Å
133A37.6Very low42.5Very low5 Ų564.3 Ų64.34%0.04133%0.33CS..Hα-helixtrans-75.1-25.2179.500000113.5A129 V130 Y145A129-A133 WeakPolarHBondContact O-CB 3.34Å; A129-A133 PolarHBondContact O-N 2.87Å; A129-A133 VanDerWaalsContact O-N 3.13Å; V130-A133 PolarHBondContact O-N 3.39Å; A133-Y145 HydrophobicContact CB-CD2 4.11Å
134F38.9Very low43.5Very low49 Ų4961.5 Ų61.522%0.21532%0.315CS..Hα-helixtrans-89.5-16.6-172.6-176.7-97.6000115.2K93 L97 V130 L136K93-F134 HydrophobicContact CB-CE1 3.87Å; K93-F134 HydrophobicContact CB-CZ 4.31Å; L97-F134 HydrophobicContact CD1-CD1 4.1Å; L97-F134 HydrophobicContact CD1-CD2 4.47Å; L97-F134 HydrophobicContact CD1-CE1 3.46Å; L97-F134 VanDerWaalsContact CD1-CE1 3.46Å; L97-F134 HydrophobicContact CD1-CE2 3.85Å; L97-F134 HydrophobicContact CD1-CZ 3.3Å; L97-F134 HydrophobicContact CD2-CD1 4.42Å; L97-F134 HydrophobicContact CD2-CD2 3.93Å; L97-F134 HydrophobicContact CD2-CE1 4.46Å; L97-F134 HydrophobicContact CD2-CE2 3.94Å; L97-F134 HydrophobicContact CD2-CG 4.18Å; L97-F134 HydrophobicContact CD2-CZ 4.22Å; L97-F134 HydrophobicContact CG-CZ 4.41Å; V130-F134 WeakPolarHBondContact O-CB 3.18Å; V130-F134 PolarHBondContact O-N 3.33Å; F134-L136 PolarHBondContact O-N 2.86Å
135V37.1Very low44.2Very low62 Ų6264 Ų6438%0.37632%0.323SS..SBendtrans-63.71.4-178.5171.20000114.1F90F90-V135 HydrophobicContact CE1-CG1 4.26Å; F90-V135 WeakPolarHBondContact CE1-O 3.48Å; F90-V135 VanDerWaalsContact CZ-O 3.26Å; F90-V135 WeakPolarHBondContact CZ-O 3.39Å
136L42.8Very low45Very low74 Ų7467.9 Ų67.939%0.38735%0.347SS..  trans-136119.8174.7-68.6153.5000107.1F134 I141 M190F134-L136 PolarHBondContact O-N 2.86Å; L136-I141 HydrophobicContact CB-CD1 3.5Å; L136-I141 WeakPolarHBondContact O-CD1 3.43Å; L136-I141 WeakPolarHBondContact O-CG2 3.41Å; L136-M190 HydrophobicContact CD1-CE 3.84Å; L136-M190 HydrophobicContact CD1-SD 3.65Å
137F31.6Very low46Very low154 Ų15467.5 Ų67.568%0.67535%0.345SS*.  trans-129.2115.7174.2-178.1-96.1000110.7
138L37.2Very low46.8Very low130 Ų13065.1 Ų65.168%0.68133%0.331SS*.SBendtrans-168160.5141.5-87.4-177.8000108.6Q140 I141L138-Q140 VanDerWaalsContact C-N 3.28Å; L138-Q140 PolarHBondContact O-N 3.04Å; L138-I141 WeakPolarHBondContact O-CB 3.14Å; L138-I141 VanDerWaalsContact O-CG1 3.32Å; L138-I141 WeakPolarHBondContact O-CG1 3.45Å; L138-I141 PolarHBondContact O-N 2.88Å
139R37Very low47.6Very low248 Ų24865.4 Ų65.494%0.93633%0.333SS*.THydrogen-bonded Turntrans-29.5-28.7-166.4-110.7175.7158.6-177.8-6.4121I141R139-I141 PolarHBondContact O-N 3.45Å
140Q42.6Very low48.5Very low164 Ų16468 Ų6877%0.76635%0.352SS*.THydrogen-bonded Turntrans-71.2-12.1173.1-76.4177.6-11.300113.4L138L138-Q140 VanDerWaalsContact C-N 3.28Å; L138-Q140 PolarHBondContact O-N 3.04Å
141I55.2Low49.6Very low31 Ų3169 Ų6916%0.15936%0.358CS..Hα-helixtrans-91.9-13.3-172.7-61.2175.1000112.9L136 L138 R139 V143 A144 Y145L136-I141 HydrophobicContact CB-CD1 3.5Å; L136-I141 WeakPolarHBondContact O-CD1 3.43Å; L136-I141 WeakPolarHBondContact O-CG2 3.41Å; L138-I141 WeakPolarHBondContact O-CB 3.14Å; L138-I141 VanDerWaalsContact O-CG1 3.32Å; L138-I141 WeakPolarHBondContact O-CG1 3.45Å; L138-I141 PolarHBondContact O-N 2.88Å; R139-I141 PolarHBondContact O-N 3.45Å; I141-V143 VanDerWaalsContact C-N 3.33Å; I141-V143 PolarHBondContact O-N 3.23Å; I141-A144 PolarHBondContact O-N 3.04Å; I141-Y145 WeakPolarHBondContact O-CB 3.27Å; I141-Y145 PolarHBondContact O-N 3.48Å
142G53.4Low50.3Low44 Ų4467.5 Ų67.545%0.45435%0.35SS..Hα-helixtrans-58.7-44.1178.700000112.8Y145 V146G142-Y145 PolarHBondContact O-N 3.49Å; G142-V146 VanDerWaalsContact O-CG2 3.31Å; G142-V146 WeakPolarHBondContact O-CG2 3.49Å; G142-V146 PolarHBondContact O-N 3.27Å
143V60.8Low51.2Low93 Ų9370.8 Ų70.856%0.56437%0.367SS*.Hα-helixtrans-67.6-48177.6178.50000110.9I141 Y145 V146 T147 M189I141-V143 VanDerWaalsContact C-N 3.33Å; I141-V143 PolarHBondContact O-N 3.23Å; V143-Y145 VanDerWaalsContact C-N 3.26Å; V143-Y145 PolarHBondContact O-N 3.48Å; V143-V146 PolarHBondContact O-N 3.2Å; V143-T147 HydrophobicContact CG1-CG2 4.23Å; V143-T147 WeakPolarHBondContact O-CB 3.25Å; V143-T147 VanDerWaalsContact O-CG2 3.27Å; V143-T147 WeakPolarHBondContact O-CG2 3.23Å; V143-T147 PolarHBondContact O-N 3.46Å; V143-T147 PolarHBondContact O-OG1 3.45Å; V143-M189 HydrophobicContact CG1-CE 3.67Å; V143-M189 HydrophobicContact CG1-SD 4.09Å
144A58.8Low52.6Low2 Ų273.7 Ų73.72%0.01739%0.391CS..Hα-helixtrans-60.6-36.1178.200000112.3I141 T147 A148 M189 M190I141-A144 PolarHBondContact O-N 3.04Å; A144-T147 WeakPolarHBondContact CA-OG1 3.32Å; A144-T147 PolarHBondContact O-OG1 2.93Å; A144-T147 VanDerWaalsContact O-OG1 3.04Å; A144-A148 WeakPolarHBondContact O-CB 3.31Å; A144-A148 PolarHBondContact O-N 3.29Å; A144-M189 HydrophobicContact CB-CB 4.41Å; A144-M189 HydrophobicContact CB-CG 4.18Å; A144-M190 HydrophobicContact CB-CG 3.87Å
145Y55.5Low53.8Low87 Ų8772.9 Ų72.934%0.34139%0.39SS..Hα-helixtrans-68-51.5175.6176.4-97000111.6A133 I141 G142 V143 T147 A148 T149A133-Y145 HydrophobicContact CB-CD2 4.11Å; I141-Y145 WeakPolarHBondContact O-CB 3.27Å; I141-Y145 PolarHBondContact O-N 3.48Å; G142-Y145 PolarHBondContact O-N 3.49Å; V143-Y145 VanDerWaalsContact C-N 3.26Å; V143-Y145 PolarHBondContact O-N 3.48Å; Y145-T147 VanDerWaalsContact C-N 3.31Å; Y145-T147 PolarHBondContact O-N 3Å; Y145-A148 PolarHBondContact O-N 2.96Å; Y145-T149 HydrophobicContact CD1-CG2 4.46Å; Y145-T149 HydrophobicContact CD2-CG2 4.14Å; Y145-T149 HydrophobicContact CE1-CG2 4.13Å; Y145-T149 HydrophobicContact CE2-CG2 3.79Å; Y145-T149 HydrophobicContact CG-CG2 4.47Å; Y145-T149 WeakPolarHBondContact O-CB 3.37Å; Y145-T149 VanDerWaalsContact O-CG2 3.31Å; Y145-T149 WeakPolarHBondContact O-CG2 3.23Å; Y145-T149 PolarHBondContact O-N 2.62Å; Y145-T149 PolarHBondContact O-OG1 3.47Å
146V58.3Low54.8Low82 Ų8270 Ų7050%0.49737%0.373SS..Hα-helixtrans-61.5-41.4179.51710000110.8G142 V143 T149 S150G142-V146 VanDerWaalsContact O-CG2 3.31Å; G142-V146 WeakPolarHBondContact O-CG2 3.49Å; G142-V146 PolarHBondContact O-N 3.27Å; V143-V146 PolarHBondContact O-N 3.2Å; V146-T149 WeakPolarHBondContact CA-OG1 3.24Å; V146-T149 PolarHBondContact O-OG1 3.13Å; V146-T149 VanDerWaalsContact O-OG1 3.11Å; V146-S150 WeakPolarHBondContact O-CB 3.5Å; V146-S150 PolarHBondContact O-N 3.07Å; V146-S150 PolarHBondContact O-OG 2.92Å
147T65.4Low55.6Low38 Ų3870.4 Ų70.423%0.23338%0.378CS..Hα-helixtrans-68.9-47.4178.155.90000111.1V143 A144 Y145 T149 S150 T151 M189V143-T147 HydrophobicContact CG1-CG2 4.23Å; V143-T147 WeakPolarHBondContact O-CB 3.25Å; V143-T147 VanDerWaalsContact O-CG2 3.27Å; V143-T147 WeakPolarHBondContact O-CG2 3.23Å; V143-T147 PolarHBondContact O-N 3.46Å; V143-T147 PolarHBondContact O-OG1 3.45Å; A144-T147 WeakPolarHBondContact CA-OG1 3.32Å; A144-T147 PolarHBondContact O-OG1 2.93Å; A144-T147 VanDerWaalsContact O-OG1 3.04Å; Y145-T147 VanDerWaalsContact C-N 3.31Å; Y145-T147 PolarHBondContact O-N 3Å; T147-T149 PolarHBondContact O-N 3.28Å; T147-S150 PolarHBondContact O-N 3.39Å; T147-T151 WeakPolarHBondContact O-CB 3.38Å; T147-T151 PolarHBondContact O-N 2.83Å; T147-T151 PolarHBondContact O-OG1 2.84Å; T147-M189 HydrophobicContact CG2-CE 4.12Å; T147-M189 HydrophobicContact CG2-SD 3.77Å; T147-M189 PolarHBondContact OG1-SD 3.28Å
148A59.6Low57.2Low3 Ų364.9 Ų64.93%0.02537%0.365CS..Hα-helixtrans-61.2-44.6178.900000112.6A144 Y145 T151 A152 N186A144-A148 WeakPolarHBondContact O-CB 3.31Å; A144-A148 PolarHBondContact O-N 3.29Å; Y145-A148 PolarHBondContact O-N 2.96Å; A148-T151 PolarHBondContact O-N 3.37Å; A148-A152 WeakPolarHBondContact O-CB 3.45Å; A148-A152 PolarHBondContact O-N 3.23Å; A148-N186 HydrophobicContact CB-CB 3.81Å
149T59.1Low58.6Low24 Ų2461.7 Ų61.715%0.14735%0.348CS..Hα-helixtrans-66.8-43.3177.9510000111.8V130 Y145 V146 T147 A152 L153V130-T149 HydrophobicContact CG2-CG2 4.12Å; Y145-T149 HydrophobicContact CD1-CG2 4.46Å; Y145-T149 HydrophobicContact CD2-CG2 4.14Å; Y145-T149 HydrophobicContact CE1-CG2 4.13Å; Y145-T149 HydrophobicContact CE2-CG2 3.79Å; Y145-T149 HydrophobicContact CG-CG2 4.47Å; Y145-T149 WeakPolarHBondContact O-CB 3.37Å; Y145-T149 VanDerWaalsContact O-CG2 3.31Å; Y145-T149 WeakPolarHBondContact O-CG2 3.23Å; Y145-T149 PolarHBondContact O-N 2.62Å; Y145-T149 PolarHBondContact O-OG1 3.47Å; V146-T149 WeakPolarHBondContact CA-OG1 3.24Å; V146-T149 PolarHBondContact O-OG1 3.13Å; V146-T149 VanDerWaalsContact O-OG1 3.11Å; T147-T149 PolarHBondContact O-N 3.28Å; T149-A152 PolarHBondContact O-N 3.31Å; T149-L153 WeakPolarHBondContact O-CB 3.07Å; T149-L153 WeakPolarHBondContact O-CG 3.46Å; T149-L153 PolarHBondContact O-N 3.16Å
150S61.4Low59.8Low63 Ų6351.9 Ų51.944%0.44131%0.314SS..Hα-helixtrans-62.7-42.5174.8-600000111.7V146 T147 L153 A154V146-S150 WeakPolarHBondContact O-CB 3.5Å; V146-S150 PolarHBondContact O-N 3.07Å; V146-S150 PolarHBondContact O-OG 2.92Å; T147-S150 PolarHBondContact O-N 3.39Å; S150-L153 PolarHBondContact O-N 2.86Å; S150-A154 WeakPolarHBondContact O-CB 3.3Å; S150-A154 PolarHBondContact O-N 2.69Å
151T66.3Low61Low38 Ų3849.2 Ų49.223%0.23330%0.304CS..Hα-helixtrans-63.6-44175.7-61.40000111.3T147 A148 T155 A181 V185T147-T151 WeakPolarHBondContact O-CB 3.38Å; T147-T151 PolarHBondContact O-N 2.83Å; T147-T151 PolarHBondContact O-OG1 2.84Å; A148-T151 PolarHBondContact O-N 3.37Å; T151-T155 VanDerWaalsContact O-CB 3.22Å; T151-T155 WeakPolarHBondContact O-CB 3.33Å; T151-T155 PolarHBondContact O-N 2.72Å; T151-T155 PolarHBondContact O-OG1 3.43Å; T151-A181 HydrophobicContact CG2-CB 4.35Å; T151-V185 HydrophobicContact CG2-CG2 3.92Å
152A58.1Low61.4Low5 Ų556 Ų564%0.04133%0.329CS..Hα-helixtrans-60.9-48.7177.700000111.2A129 A148 T149 T155 A156 A182A129-A152 HydrophobicContact CB-CB 3.87Å; A148-A152 WeakPolarHBondContact O-CB 3.45Å; A148-A152 PolarHBondContact O-N 3.23Å; T149-A152 PolarHBondContact O-N 3.31Å; A152-T155 PolarHBondContact O-N 2.79Å; A152-A156 VanDerWaalsContact O-CB 3.25Å; A152-A156 WeakPolarHBondContact O-CB 3.5Å; A152-A156 PolarHBondContact O-N 2.85Å; A152-A182 HydrophobicContact CB-CB 4.04Å
153L58.4Low61.8Low91 Ų9154.9 Ų54.948%0.47631%0.313SS..Hα-helixtrans-62.9-48.4178.1-76.9161.3000111.6V126 T149 S150 T155 A156 V157V126-L153 HydrophobicContact CG2-CD2 4.22Å; T149-L153 WeakPolarHBondContact O-CB 3.07Å; T149-L153 WeakPolarHBondContact O-CG 3.46Å; T149-L153 PolarHBondContact O-N 3.16Å; S150-L153 PolarHBondContact O-N 2.86Å; L153-T155 VanDerWaalsContact C-N 3.32Å; L153-T155 PolarHBondContact O-N 2.81Å; L153-A156 PolarHBondContact O-N 3.13Å; L153-V157 WeakPolarHBondContact O-CB 3.38Å; L153-V157 VanDerWaalsContact O-CG2 3.27Å; L153-V157 WeakPolarHBondContact O-CG2 3.34Å; L153-V157 PolarHBondContact O-N 3.46Å
154A66.5Low61.9Low66 Ų6658.4 Ų58.455%0.54532%0.321SS..Hα-helixtrans-60.6-42.6178.600000111.7S150 G158S150-A154 WeakPolarHBondContact O-CB 3.3Å; S150-A154 PolarHBondContact O-N 2.69Å; A154-G158 PolarHBondContact O-N 3.39Å
155T64.2Low62.1Low32 Ų3267.6 Ų67.620%0.19636%0.361CS..Hα-helixtrans-67.1-46.3177.7-550000110.6T151 A152 L153 G158 L159 A178 A181T151-T155 VanDerWaalsContact O-CB 3.22Å; T151-T155 WeakPolarHBondContact O-CB 3.33Å; T151-T155 PolarHBondContact O-N 2.72Å; T151-T155 PolarHBondContact O-OG1 3.43Å; A152-T155 PolarHBondContact O-N 2.79Å; L153-T155 VanDerWaalsContact C-N 3.32Å; L153-T155 PolarHBondContact O-N 2.81Å; T155-G158 PolarHBondContact O-N 2.83Å; T155-L159 HydrophobicContact CG2-CD1 3.75Å; T155-L159 WeakPolarHBondContact O-CB 3.27Å; T155-L159 VanDerWaalsContact O-CD1 3.23Å; T155-L159 WeakPolarHBondContact O-CD1 3.17Å; T155-L159 PolarHBondContact O-N 3.44Å; T155-A178 HydrophobicContact CG2-CB 3.78Å; T155-A181 HydrophobicContact CG2-CB 3.97Å
156A58.2Low62.4Low2 Ų264.8 Ų64.82%0.01736%0.355CS..Hα-helixtrans-63.6-4618000000112.1T122 L125 A152 L153 N160 A178T122-A156 HydrophobicContact CG2-CB 4.26Å; L125-A156 HydrophobicContact CD1-CB 4.17Å; A152-A156 VanDerWaalsContact O-CB 3.25Å; A152-A156 WeakPolarHBondContact O-CB 3.5Å; A152-A156 PolarHBondContact O-N 2.85Å; L153-A156 PolarHBondContact O-N 3.13Å; A156-N160 WeakPolarHBondContact O-CB 3.3Å; A156-N160 PolarHBondContact O-N 3.24Å; A156-N160 PolarHBondContact O-ND2 2.81Å; A156-A178 HydrophobicContact CB-CB 4.07Å
157V59.8Low62.9Low82 Ų8264.6 Ų64.650%0.49736%0.356SS..Hα-helixtrans-65.3-46.4176.8173.90000110.6L153 N160 L161L153-V157 WeakPolarHBondContact O-CB 3.38Å; L153-V157 VanDerWaalsContact O-CG2 3.27Å; L153-V157 WeakPolarHBondContact O-CG2 3.34Å; L153-V157 PolarHBondContact O-N 3.46Å; V157-N160 PolarHBondContact O-N 3.48Å; V157-L161 HydrophobicContact CG1-CD1 4.1Å; V157-L161 HydrophobicContact CG1-CG 4.48Å; V157-L161 VanDerWaalsContact O-CG 3.27Å; V157-L161 WeakPolarHBondContact O-CG 3.44Å; V157-L161 PolarHBondContact O-N 2.95Å
158G66.1Low62.9Low38 Ų3868.4 Ų68.439%0.39238%0.381SS..Hα-helixtrans-60.6-46.8179.100000112.7A154 T155 Y162A154-G158 PolarHBondContact O-N 3.39Å; T155-G158 PolarHBondContact O-N 2.83Å; G158-Y162 PolarHBondContact O-N 3.07Å
159L65Low63Low62 Ų6274.4 Ų74.433%0.32541%0.412SS..Hα-helixtrans-67.7-40.1176.2-90.671000111.4T155 L161 Y162 T163 V174 A177T155-L159 HydrophobicContact CG2-CD1 3.75Å; T155-L159 WeakPolarHBondContact O-CB 3.27Å; T155-L159 VanDerWaalsContact O-CD1 3.23Å; T155-L159 WeakPolarHBondContact O-CD1 3.17Å; T155-L159 PolarHBondContact O-N 3.44Å; L159-L161 VanDerWaalsContact C-N 3.34Å; L159-L161 PolarHBondContact O-N 3.28Å; L159-Y162 CarbonylContact O-C 3.58Å; L159-Y162 WeakPolarHBondContact O-CA 3.45Å; L159-Y162 WeakPolarHBondContact O-CB 3.38Å; L159-Y162 PolarHBondContact O-N 2.78Å; L159-Y162 VanDerWaalsContact O-N 3.08Å; L159-T163 WeakPolarHBondContact O-CG2 3.24Å; L159-T163 PolarHBondContact O-N 3.15Å; L159-V174 HydrophobicContact CB-CB 4.45Å; L159-V174 HydrophobicContact CB-CG1 3.76Å; L159-V174 HydrophobicContact CB-CG2 4.04Å; L159-V174 HydrophobicContact CD2-CG1 4.4Å; L159-V174 HydrophobicContact CD2-CG2 4.38Å; L159-A177 HydrophobicContact CD2-CB 3.66Å
160N62.8Low63.2Low43 Ų4376.4 Ų76.423%0.2342%0.424CS..Hα-helixtrans-61.1-42177.7-88.4-20000112.3T122 A156 V157 Y162 T163 K164T122-N160 VanDerWaalsContact CG2-ND2 3.35Å; T122-N160 WeakPolarHBondContact CG2-ND2 3.45Å; T122-N160 PolarHBondContact OG1-ND2 3.02Å; A156-N160 WeakPolarHBondContact O-CB 3.3Å; A156-N160 PolarHBondContact O-N 3.24Å; A156-N160 PolarHBondContact O-ND2 2.81Å; V157-N160 PolarHBondContact O-N 3.48Å; N160-Y162 VanDerWaalsContact C-N 3.25Å; N160-Y162 PolarHBondContact O-N 2.72Å; N160-T163 WeakPolarHBondContact CA-OG1 3.36Å; N160-T163 PolarHBondContact O-N 2.89Å; N160-T163 PolarHBondContact O-OG1 3.3Å; N160-K164 PolarHBondContact O-N 3.45Å
161L67.6Low63.3Low107 Ų10775 Ų7556%0.5642%0.416SS*.Hα-helixtrans-59.8-37.7174.2-70.3170.8000111.9V157 L159V157-L161 HydrophobicContact CG1-CD1 4.1Å; V157-L161 HydrophobicContact CG1-CG 4.48Å; V157-L161 VanDerWaalsContact O-CG 3.27Å; V157-L161 WeakPolarHBondContact O-CG 3.44Å; V157-L161 PolarHBondContact O-N 2.95Å; L159-L161 VanDerWaalsContact C-N 3.34Å; L159-L161 PolarHBondContact O-N 3.28Å
162Y63.2Low63.3Low174 Ų17477.9 Ų77.968%0.68242%0.423SS*.Hα-helixtrans-72-36.9175.7-167.3-99.9000112.5G158 L159 N160 K164 K165G158-Y162 PolarHBondContact O-N 3.07Å; L159-Y162 CarbonylContact O-C 3.58Å; L159-Y162 WeakPolarHBondContact O-CA 3.45Å; L159-Y162 WeakPolarHBondContact O-CB 3.38Å; L159-Y162 PolarHBondContact O-N 2.78Å; L159-Y162 VanDerWaalsContact O-N 3.08Å; N160-Y162 VanDerWaalsContact C-N 3.25Å; N160-Y162 PolarHBondContact O-N 2.72Å; Y162-K164 PolarHBondContact O-N 3.1Å; Y162-K165 PolarHBondContact O-N 3.45Å
163T61.9Low63.8Low20 Ų2084 Ų8412%0.12345%0.445CS..Hα-helixtrans-69.7-18.2-179650000114.3L159 N160 K165 A166 V170 A171 V174L159-T163 WeakPolarHBondContact O-CG2 3.24Å; L159-T163 PolarHBondContact O-N 3.15Å; N160-T163 WeakPolarHBondContact CA-OG1 3.36Å; N160-T163 PolarHBondContact O-N 2.89Å; N160-T163 PolarHBondContact O-OG1 3.3Å; T163-K165 PolarHBondContact O-N 3.03Å; T163-K165 VanDerWaalsContact O-N 3.1Å; T163-A166 PolarHBondContact O-N 2.84Å; T163-V170 HydrophobicContact CG2-CG1 4.11Å; T163-A171 HydrophobicContact CG2-CB 4.36Å; T163-V174 HydrophobicContact CG2-CG2 3.48Å; T163-V174 VanDerWaalsContact CG2-CG2 3.48Å
164K64.1Low64Low168 Ų16879.7 Ų79.773%0.7342%0.423SS*.THydrogen-bonded Turntrans-58.1-20.3167.6-68.8-175.6177.2-175.40113N160 Y162N160-K164 PolarHBondContact O-N 3.45Å; Y162-K164 PolarHBondContact O-N 3.1Å
165K62.9Low63.9Low195 Ų19576.9 Ų76.985%0.84840%0.399SS*.THydrogen-bonded Turntrans-108.30.2176.7-63.3-173.9177.7-177.30113.7Y162 T163Y162-K165 PolarHBondContact O-N 3.45Å; T163-K165 PolarHBondContact O-N 3.03Å; T163-K165 VanDerWaalsContact O-N 3.1Å
166A62.5Low64.2Low27 Ų2777.9 Ų77.922%0.22340%0.4CS..SBendtrans-113.7160.2-172.900000111.3T163 V170T163-A166 PolarHBondContact O-N 2.84Å; A166-V170 HydrophobicContact CB-CB 4.15Å; A166-V170 HydrophobicContact CB-CG1 4.37Å; A166-V170 HydrophobicContact CB-CG2 4.38Å
167P68.5Low64.8Low79 Ų7979.4 Ų79.451%0.51341%0.413SS..  trans-60.9148.5175.720.9-30000111.7L169 V170P167-L169 PolarHBondContact O-N 2.98Å; P167-V170 HydrophobicContact CG-CG2 4.09Å; P167-V170 PolarHBondContact O-N 3.44Å
168P64.7Low65.1Low118 Ų11875.5 Ų75.577%0.76639%0.39SS*.Hα-helixtrans-60.2-16-174.622-33.1000114.2V170P168-V170 VanDerWaalsContact C-N 3.34Å
169L61.7Low65Low129 Ų12973.8 Ų73.868%0.67537%0.372SS*.Hα-helixtrans-66-34.3171.8-66.5173.3000112.6P167 R172 W173P167-L169 PolarHBondContact O-N 2.98Å; L169-R172 VanDerWaalsContact O-CB 3.31Å; L169-R172 WeakPolarHBondContact O-CB 3.31Å; L169-R172 PolarHBondContact O-N 3.42Å; L169-W173 VanDerWaalsContact O-CD1 3.26Å
170V63.7Low65.4Low66 Ų6671.7 Ų71.740%0.436%0.363SS..Hα-helixtrans-73.5-38.4179.6179.60000110.8T163 A166 P167 P168 R172 W173T163-V170 HydrophobicContact CG2-CG1 4.11Å; A166-V170 HydrophobicContact CB-CB 4.15Å; A166-V170 HydrophobicContact CB-CG1 4.37Å; A166-V170 HydrophobicContact CB-CG2 4.38Å; P167-V170 HydrophobicContact CG-CG2 4.09Å; P167-V170 PolarHBondContact O-N 3.44Å; P168-V170 VanDerWaalsContact C-N 3.34Å; V170-R172 PolarHBondContact O-N 2.81Å; V170-R172 VanDerWaalsContact O-N 3.1Å; V170-W173 PolarHBondContact O-N 3.02Å
171A62.9Low65.8Low33 Ų3370.9 Ų70.927%0.27336%0.363SS..Hα-helixtrans-55.6-28172.700000111.9L121 T163 W173L121-A171 WeakPolarHBondContact CD2-O 3.34Å; T163-A171 HydrophobicContact CG2-CB 4.36Å; A171-W173 VanDerWaalsContact C-N 3.32Å; A171-W173 PolarHBondContact O-N 3.21Å
172R66.9Low65.7Low99 Ų9966 Ų6637%0.37434%0.337SS..THydrogen-bonded Turntrans-67.8-28.7178.6-160.2173.5177.5161.74114.6L121 L169 V170L121-R172 HydrophobicContact CD2-CB 4.21Å; L121-R172 HydrophobicContact CD2-CG 3.96Å; L121-R172 VanDerWaalsContact CD2-O 3.29Å; L121-R172 WeakPolarHBondContact CD2-O 3.26Å; L169-R172 VanDerWaalsContact O-CB 3.31Å; L169-R172 WeakPolarHBondContact O-CB 3.31Å; L169-R172 PolarHBondContact O-N 3.42Å; V170-R172 PolarHBondContact O-N 2.81Å; V170-R172 VanDerWaalsContact O-N 3.1Å
173W67.4Low66.2Low133 Ų13357.9 Ų57.950%0.50431%0.306SS..THydrogen-bonded Turntrans-93.3-12-176.5-69.596.8000113.7L169 V170 A171 P175 F176 A177 I236L169-W173 VanDerWaalsContact O-CD1 3.26Å; V170-W173 PolarHBondContact O-N 3.02Å; A171-W173 VanDerWaalsContact C-N 3.32Å; A171-W173 PolarHBondContact O-N 3.21Å; W173-P175 VanDerWaalsContact C-N 3.32Å; W173-P175 CarbonylContact O-C 3.59Å; W173-F176 HydrophobicContact CE3-CB 4.23Å; W173-F176 HydrophobicContact CE3-CD1 4.06Å; W173-F176 HydrophobicContact CE3-CG 4.37Å; W173-F176 HydrophobicContact CZ3-CD1 4.26Å; W173-F176 PolarHBondContact O-N 2.98Å; W173-A177 WeakPolarHBondContact O-CB 3.2Å; W173-A177 PolarHBondContact O-N 3.11Å; W173-I236 HydrophobicContact CH2-CD1 3.73Å; W173-I236 HydrophobicContact CH2-CG1 4.16Å; W173-I236 HydrophobicContact CZ3-CD1 3.74Å; W173-I236 HydrophobicContact CZ3-CG1 4.07Å
174V64.4Low67Low1 Ų160 Ų601%0.00632%0.321CS..Hα-helixtrans-50-53178178.40000110L125 L159 T163 A177 A178L125-V174 HydrophobicContact CD1-CG1 3.98Å; L125-V174 WeakPolarHBondContact CD1-O 3.32Å; L159-V174 HydrophobicContact CB-CB 4.45Å; L159-V174 HydrophobicContact CB-CG1 3.76Å; L159-V174 HydrophobicContact CB-CG2 4.04Å; L159-V174 HydrophobicContact CD2-CG1 4.4Å; L159-V174 HydrophobicContact CD2-CG2 4.38Å; T163-V174 HydrophobicContact CG2-CG2 3.48Å; T163-V174 VanDerWaalsContact CG2-CG2 3.48Å; V174-A177 WeakPolarHBondContact O-CB 3.38Å; V174-A177 PolarHBondContact O-N 3.37Å; V174-A177 VanDerWaalsContact O-N 3.14Å; V174-A178 PolarHBondContact O-N 3.41Å
175P64.4Low67.4Low6 Ų654.5 Ų54.54%0.03930%0.301CS..Hα-helixtrans20.4-116.1132.137.9-28.7000121.4L121 L125 W173 A177 A178 V179 M235L121-P175 HydrophobicContact CB-CG 3.58Å; L121-P175 HydrophobicContact CD2-CG 3.32Å; L121-P175 HydrophobicContact CG-CG 3.31Å; L121-P175 WeakPolarHBondContact O-CG 3.39Å; L125-P175 HydrophobicContact CB-CB 3.94Å; L125-P175 VanDerWaalsContact CD1-CA 3.47Å; L125-P175 HydrophobicContact CD1-CB 3.64Å; L125-P175 HydrophobicContact CD1-CG 4.05Å; L125-P175 WeakPolarHBondContact CD2-O 3.46Å; L125-P175 VanDerWaalsContact CG-CA 3.47Å; L125-P175 HydrophobicContact CG-CB 3.45Å; L125-P175 VanDerWaalsContact CG-CB 3.45Å; L125-P175 HydrophobicContact CG-CG 4.35Å; L125-P175 WeakPolarHBondContact CG-O 3.46Å; W173-P175 VanDerWaalsContact C-N 3.32Å; W173-P175 CarbonylContact O-C 3.59Å; P175-A177 PolarHBondContact O-N 2.94Å; P175-A178 PolarHBondContact O-N 3.13Å; P175-V179 PolarHBondContact O-N 3.47Å; P175-M235 HydrophobicContact CB-CE 3.29Å; P175-M235 HydrophobicContact CB-SD 4.24Å
176F69.4Low67.7Low53 Ų5345.4 Ų45.423%0.23226%0.262CS..Hα-helixtrans-46.2-40.1169.7-174.9-108.4000114.6W173 V179 A180 I228 A232W173-F176 HydrophobicContact CE3-CB 4.23Å; W173-F176 HydrophobicContact CE3-CD1 4.06Å; W173-F176 HydrophobicContact CE3-CG 4.37Å; W173-F176 HydrophobicContact CZ3-CD1 4.26Å; W173-F176 PolarHBondContact O-N 2.98Å; F176-V179 PolarHBondContact O-N 2.99Å; F176-A180 VanDerWaalsContact O-CB 3.3Å; F176-A180 WeakPolarHBondContact O-CB 3.25Å; F176-A180 PolarHBondContact O-N 2.98Å; F176-I228 HydrophobicContact CE1-CG2 4.36Å; F176-I228 HydrophobicContact CE2-CG2 3.74Å; F176-I228 HydrophobicContact CZ-CG2 3.44Å; F176-I228 VanDerWaalsContact CZ-CG2 3.44Å; F176-A232 HydrophobicContact CD2-CB 4.28Å; F176-A232 HydrophobicContact CE2-CB 3.62Å; F176-A232 HydrophobicContact CZ-CB 4.33Å
177A71.1Confident68.2Low35 Ų3544.3 Ų44.329%0.28925%0.252SS..Hα-helixtrans-65-44.1-175.500000113.1L159 W173 V174 P175 A180 A181L159-A177 HydrophobicContact CD2-CB 3.66Å; W173-A177 WeakPolarHBondContact O-CB 3.2Å; W173-A177 PolarHBondContact O-N 3.11Å; V174-A177 WeakPolarHBondContact O-CB 3.38Å; V174-A177 PolarHBondContact O-N 3.37Å; V174-A177 VanDerWaalsContact O-N 3.14Å; P175-A177 PolarHBondContact O-N 2.94Å; A177-A180 PolarHBondContact O-N 3.37Å; A177-A181 WeakPolarHBondContact O-CB 3.35Å; A177-A181 PolarHBondContact O-N 2.99Å
178A65.1Low68.7Low0 Ų042.3 Ų42.30%024%0.239CC..Hα-helixtrans-74.7-31.1178.500000112.6L125 T155 A156 V174 P175 A180 A181 A182L125-A178 HydrophobicContact CD1-CB 4.08Å; L125-A178 HydrophobicContact CD2-CB 3.15Å; L125-A178 HydrophobicContact CG-CB 4.19Å; T155-A178 HydrophobicContact CG2-CB 3.78Å; A156-A178 HydrophobicContact CB-CB 4.07Å; V174-A178 PolarHBondContact O-N 3.41Å; P175-A178 PolarHBondContact O-N 3.13Å; A178-A180 VanDerWaalsContact C-N 3.34Å; A178-A181 PolarHBondContact O-N 3.34Å; A178-A182 WeakPolarHBondContact O-CB 3.5Å; A178-A182 PolarHBondContact O-N 3.03Å
179V65.3Low69.2Low2 Ų239.6 Ų39.61%0.01222%0.217CC..Hα-helixtrans-64.3-41.2169.6177.20000110.9L125 E128 A129 P175 F176 A182 N183 A231 M235L125-V179 HydrophobicContact CD2-CG2 3.78Å; L125-V179 HydrophobicContact CG-CG2 4.49Å; E128-V179 HydrophobicContact CB-CG2 4.18Å; A129-V179 HydrophobicContact CB-CG2 4.38Å; P175-V179 PolarHBondContact O-N 3.47Å; F176-V179 PolarHBondContact O-N 2.99Å; V179-A182 PolarHBondContact O-N 3.27Å; V179-N183 PolarHBondContact O-N 3.41Å; V179-N183 PolarHBondContact O-ND2 3.46Å; V179-A231 HydrophobicContact CG1-CB 4.04Å; V179-M235 HydrophobicContact CG2-CE 3.86Å
180A72.4Confident69.4Low17 Ų1735.9 Ų35.914%0.1420%0.197CC..Hα-helixtrans-63.3-46.8176.600000111.8F176 A177 A178 A182 N183 C184 I228F176-A180 VanDerWaalsContact O-CB 3.3Å; F176-A180 WeakPolarHBondContact O-CB 3.25Å; F176-A180 PolarHBondContact O-N 2.98Å; A177-A180 PolarHBondContact O-N 3.37Å; A178-A180 VanDerWaalsContact C-N 3.34Å; A180-A182 VanDerWaalsContact C-N 3.34Å; A180-A182 PolarHBondContact O-N 3.48Å; A180-N183 PolarHBondContact O-N 3.25Å; A180-C184 PolarHBondContact O-N 3.44Å; A180-C184 PolarHBondContact O-SG 2.89Å; A180-I228 HydrophobicContact CB-CD1 3.88Å; A180-I228 HydrophobicContact CB-CG1 4.03Å; A180-I228 HydrophobicContact CB-CG2 4.15Å
181A72.3Confident70.1Confident27 Ų2734.2 Ų34.222%0.22318%0.183CC..Hα-helixtrans-59.2-43.3175.900000112.2T151 T155 A177 A178 N183 C184 V185T151-A181 HydrophobicContact CG2-CB 4.35Å; T155-A181 HydrophobicContact CG2-CB 3.97Å; A177-A181 WeakPolarHBondContact O-CB 3.35Å; A177-A181 PolarHBondContact O-N 2.99Å; A178-A181 PolarHBondContact O-N 3.34Å; A181-N183 PolarHBondContact O-N 3.42Å; A181-C184 WeakPolarHBondContact O-CB 3.48Å; A181-C184 PolarHBondContact O-N 3.33Å; A181-V185 PolarHBondContact O-N 2.87Å
182A65.9Low70.8Confident4 Ų436.8 Ų36.83%0.03319%0.19CC..Hα-helixtrans-61.6-43.8176.900000112.2A129 A152 A178 V179 A180 C184 V185 N186A129-A182 HydrophobicContact CB-CB 4.3Å; A152-A182 HydrophobicContact CB-CB 4.04Å; A178-A182 WeakPolarHBondContact O-CB 3.5Å; A178-A182 PolarHBondContact O-N 3.03Å; V179-A182 PolarHBondContact O-N 3.27Å; A180-A182 VanDerWaalsContact C-N 3.34Å; A180-A182 PolarHBondContact O-N 3.48Å; A182-C184 VanDerWaalsContact C-N 3.33Å; A182-C184 PolarHBondContact O-N 2.69Å; A182-V185 PolarHBondContact O-N 3.25Å; A182-N186 VanDerWaalsContact O-CB 3.25Å; A182-N186 WeakPolarHBondContact O-CB 3.36Å; A182-N186 PolarHBondContact O-N 2.93Å
183N72.9Confident71.5Confident3 Ų336.6 Ų36.62%0.01619%0.193CC..Hα-helixtrans-65.7-35176.8-82.7-80.7000112.7T132 V179 A180 A181 V185 I187 R227 I228T132-N183 WeakPolarHBondContact CG2-OD1 3.38Å; V179-N183 PolarHBondContact O-N 3.41Å; V179-N183 PolarHBondContact O-ND2 3.46Å; A180-N183 PolarHBondContact O-N 3.25Å; A181-N183 PolarHBondContact O-N 3.42Å; N183-V185 PolarHBondContact O-N 2.96Å; N183-I187 WeakPolarHBondContact O-CG1 3.42Å; N183-I187 PolarHBondContact O-N 3.27Å; N183-R227 WeakPolarHBondContact OD1-CB 3.34Å; N183-R227 WeakPolarHBondContact OD1-CD 3.32Å; N183-I228 HydrophobicContact CB-CG1 4.27Å
184C78.1Confident72.2Confident66 Ų6633 Ų3345%0.44618%0.182SC..Hα-helixtrans-64.3-25.2174.9-71.20000113.4A180 A181 A182 P188 V224A180-C184 PolarHBondContact O-N 3.44Å; A180-C184 PolarHBondContact O-SG 2.89Å; A181-C184 WeakPolarHBondContact O-CB 3.48Å; A181-C184 PolarHBondContact O-N 3.33Å; A182-C184 VanDerWaalsContact C-N 3.33Å; A182-C184 PolarHBondContact O-N 2.69Å; C184-P188 VanDerWaalsContact O-CD 3.27Å; C184-P188 WeakPolarHBondContact O-CD 3.39Å; C184-P188 VanDerWaalsContact O-CG 3.26Å; C184-P188 WeakPolarHBondContact O-CG 3.47Å; C184-V224 HydrophobicContact CB-CG1 4.5Å
185V72.9Confident73.2Confident51 Ų5135.6 Ų35.631%0.30920%0.195SC..Hα-helixtrans-96.5-45.3178.2175.70000111.6T151 A181 A182 N183 I187 P188 M189T151-V185 HydrophobicContact CG2-CG2 3.92Å; A181-V185 PolarHBondContact O-N 2.87Å; A182-V185 PolarHBondContact O-N 3.25Å; N183-V185 PolarHBondContact O-N 2.96Å; V185-I187 PolarHBondContact O-N 3.41Å; V185-P188 WeakPolarHBondContact O-CD 3.06Å; V185-M189 VanDerWaalsContact O-CB 3.31Å; V185-M189 WeakPolarHBondContact O-CB 3.43Å; V185-M189 PolarHBondContact O-N 3.48Å
186N68.9Low74.1Confident5 Ų540 Ų403%0.02722%0.218CC..Hα-helixtrans-62.8-47.7-172.9-171.123.6000112.3A148 A182 M189 M190A148-N186 HydrophobicContact CB-CB 3.81Å; A182-N186 VanDerWaalsContact O-CB 3.25Å; A182-N186 WeakPolarHBondContact O-CB 3.36Å; A182-N186 PolarHBondContact O-N 2.93Å; N186-M189 PolarHBondContact O-N 2.98Å; N186-M190 WeakPolarHBondContact O-CG 3.39Å; N186-M190 PolarHBondContact O-N 2.93Å
187I72.7Confident74.9Confident3 Ų342.6 Ų42.62%0.01523%0.234CC..Hα-helixtrans-67.5-49-172.9-54.3174000111.8N183 V185 M189 M190 R191 I220 V223 V224 R227N183-I187 WeakPolarHBondContact O-CG1 3.42Å; N183-I187 PolarHBondContact O-N 3.27Å; V185-I187 PolarHBondContact O-N 3.41Å; I187-M189 PolarHBondContact O-N 3.28Å; I187-M190 PolarHBondContact O-N 3.39Å; I187-R191 PolarHBondContact O-N 3.37Å; I187-I220 HydrophobicContact CG2-CG2 4.12Å; I187-V223 HydrophobicContact CD1-CG1 4Å; I187-V223 HydrophobicContact CG2-CB 4.46Å; I187-V223 HydrophobicContact CG2-CG1 3.98Å; I187-V224 HydrophobicContact CB-CG2 3.97Å; I187-V224 HydrophobicContact CD1-CB 4.26Å; I187-V224 HydrophobicContact CD1-CG2 3.74Å; I187-V224 HydrophobicContact CG1-CG2 4.35Å; I187-V224 HydrophobicContact CG2-CG2 4.38Å; I187-R227 HydrophobicContact CD1-CB 4.17Å; I187-R227 VanDerWaalsContact CD1-CD 3.42Å; I187-R227 HydrophobicContact CD1-CG 3.77Å
188P80.3Confident75.5Confident38 Ų3841.3 Ų41.325%0.24723%0.225CC..Hα-helixtrans-59.5-36.5174.9-25.536.6000112.8C184 V185 R191 Q192 I195 I220C184-P188 VanDerWaalsContact O-CD 3.27Å; C184-P188 WeakPolarHBondContact O-CD 3.39Å; C184-P188 VanDerWaalsContact O-CG 3.26Å; C184-P188 WeakPolarHBondContact O-CG 3.47Å; V185-P188 WeakPolarHBondContact O-CD 3.06Å; P188-R191 CarbonylContact O-C 3.59Å; P188-R191 VanDerWaalsContact O-C 3.31Å; P188-R191 PolarHBondContact O-N 3.47Å; P188-Q192 WeakPolarHBondContact O-CA 3.35Å; P188-Q192 PolarHBondContact O-N 3.3Å; P188-I195 HydrophobicContact CB-CD1 3.91Å; P188-I220 HydrophobicContact CB-CG2 4.32Å; P188-I220 HydrophobicContact CG-CG2 3.88Å
189M74Confident76.5Confident60 Ų6042.2 Ų42.230%0.29623%0.229SC..Hα-helixtrans-69.5-41.9-179.8-167.5158.6-133.300112.4V143 A144 T147 V185 N186 I187 R191 Q192V143-M189 HydrophobicContact CG1-CE 3.67Å; V143-M189 HydrophobicContact CG1-SD 4.09Å; A144-M189 HydrophobicContact CB-CB 4.41Å; A144-M189 HydrophobicContact CB-CG 4.18Å; T147-M189 HydrophobicContact CG2-CE 4.12Å; T147-M189 HydrophobicContact CG2-SD 3.77Å; T147-M189 PolarHBondContact OG1-SD 3.28Å; V185-M189 VanDerWaalsContact O-CB 3.31Å; V185-M189 WeakPolarHBondContact O-CB 3.43Å; V185-M189 PolarHBondContact O-N 3.48Å; N186-M189 PolarHBondContact O-N 2.98Å; I187-M189 PolarHBondContact O-N 3.28Å; M189-R191 VanDerWaalsContact C-N 3.29Å; M189-R191 PolarHBondContact O-N 2.99Å; M189-Q192 WeakPolarHBondContact O-CB 3.22Å; M189-Q192 WeakPolarHBondContact O-CG 3.38Å; M189-Q192 PolarHBondContact O-N 2.79Å
190M67.1Low77.5Confident51 Ų5144.1 Ų44.125%0.25125%0.245SC..Hα-helixtrans-63.7-36.5173.2-70.9-168.9-59.100112L136 A144 N186 I187L136-M190 HydrophobicContact CD1-CE 3.84Å; L136-M190 HydrophobicContact CD1-SD 3.65Å; A144-M190 HydrophobicContact CB-CG 3.87Å; N186-M190 WeakPolarHBondContact O-CG 3.39Å; N186-M190 PolarHBondContact O-N 2.93Å; I187-M190 PolarHBondContact O-N 3.39Å
191R76.6Confident78.2Confident32 Ų3243.3 Ų43.312%0.12124%0.238CC..THydrogen-bonded Turntrans-98.324.6-178.6-61.2-178.571.2176.3-3.8112.9I187 P188 M189 Q193 E194 I195 I220 K315I187-R191 PolarHBondContact O-N 3.37Å; P188-R191 CarbonylContact O-C 3.59Å; P188-R191 VanDerWaalsContact O-C 3.31Å; P188-R191 PolarHBondContact O-N 3.47Å; M189-R191 VanDerWaalsContact C-N 3.29Å; M189-R191 PolarHBondContact O-N 2.99Å; R191-Q193 PolarHBondContact O-N 3.22Å; R191-Q193 VanDerWaalsContact O-N 3.16Å; R191-E194 IonicContact CZ-OE1 3.44Å; R191-E194 IonicContact CZ-OE2 3.34Å; R191-E194 VanDerWaalsContact NE-CD 3.31Å; R191-E194 IonicContact NE-OE1 2.77Å; R191-E194 PolarHBondContact NE-OE1 3.27Å; R191-E194 IonicContact NE-OE2 3.26Å; R191-E194 PolarHBondContact NE-OE2 3.31Å; R191-E194 IonicContact NH2-OE1 3.35Å; R191-E194 PolarHBondContact NH2-OE1 3.38Å; R191-E194 IonicContact NH2-OE2 2.65Å; R191-E194 PolarHBondContact NH2-OE2 2.9Å; R191-E194 WeakPolarHBondContact O-CB 3.39Å; R191-E194 PolarHBondContact O-N 3.15Å; R191-I195 PolarHBondContact O-N 3.04Å; R191-I220 HydrophobicContact CB-CD1 3.78Å; R191-I220 HydrophobicContact CB-CG1 4.19Å; R191-K315 PolarHBondContact NH1-O 2.77Å; R191-K315 PolarHBondContact NH2-O 2.95Å
192Q79.7Confident78.9Confident87 Ų8743.4 Ų43.441%0.40724%0.236SC..Hα-helixtrans-57.6-34.8-176.364.1178.5-3.700112.9P188 M189 E194 I195 L196P188-Q192 WeakPolarHBondContact O-CA 3.35Å; P188-Q192 PolarHBondContact O-N 3.3Å; M189-Q192 WeakPolarHBondContact O-CB 3.22Å; M189-Q192 WeakPolarHBondContact O-CG 3.38Å; M189-Q192 PolarHBondContact O-N 2.79Å; Q192-E194 VanDerWaalsContact C-N 3.28Å; Q192-E194 PolarHBondContact O-N 3.24Å; Q192-I195 PolarHBondContact O-N 3.44Å; Q192-I195 VanDerWaalsContact O-N 3.17Å; Q192-L196 VanDerWaalsContact O-CG 3.3Å; Q192-L196 WeakPolarHBondContact O-CG 3.47Å; Q192-L196 PolarHBondContact O-N 3.48Å
193Q79.9Confident79.7Confident95 Ų9544 Ų4444%0.44424%0.239SC..Hα-helixtrans-65.7-32.5179.1-68.2-61.4-29.200112R191 N197R191-Q193 PolarHBondContact O-N 3.22Å; R191-Q193 VanDerWaalsContact O-N 3.16Å; Q193-N197 VanDerWaalsContact O-CB 3.27Å; Q193-N197 WeakPolarHBondContact O-CB 3.22Å; Q193-N197 PolarHBondContact O-N 3.28Å; Q193-N197 PolarHBondContact O-ND2 3.25Å; Q193-N197 PolarHBondContact OE1-ND2 2.8Å
194E82.1Confident80Confident56 Ų5649.4 Ų49.426%0.26226%0.264SS..Hα-helixtrans-73.1-32175.7-62.4-179.8-131.100111.9R191 Q192 G198 I199 A216R191-E194 IonicContact CZ-OE1 3.44Å; R191-E194 IonicContact CZ-OE2 3.34Å; R191-E194 VanDerWaalsContact NE-CD 3.31Å; R191-E194 IonicContact NE-OE1 2.77Å; R191-E194 PolarHBondContact NE-OE1 3.27Å; R191-E194 IonicContact NE-OE2 3.26Å; R191-E194 PolarHBondContact NE-OE2 3.31Å; R191-E194 IonicContact NH2-OE1 3.35Å; R191-E194 PolarHBondContact NH2-OE1 3.38Å; R191-E194 IonicContact NH2-OE2 2.65Å; R191-E194 PolarHBondContact NH2-OE2 2.9Å; R191-E194 WeakPolarHBondContact O-CB 3.39Å; R191-E194 PolarHBondContact O-N 3.15Å; Q192-E194 VanDerWaalsContact C-N 3.28Å; Q192-E194 PolarHBondContact O-N 3.24Å; E194-G198 CarbonylContact O-C 3.57Å; E194-G198 WeakPolarHBondContact O-CA 3.27Å; E194-G198 PolarHBondContact O-N 2.63Å; E194-I199 HydrophobicContact CB-CG2 3.9Å; E194-I199 HydrophobicContact CG-CG2 4.11Å; E194-I199 WeakPolarHBondContact OE2-CG2 3.42Å; E194-A216 HydrophobicContact CB-CB 4.31Å; E194-A216 WeakPolarHBondContact O-CB 3.41Å
195I85.5Confident80Confident56 Ų5652.3 Ų52.329%0.28728%0.275SS..Hα-helixtrans-70.8-41.3174.5-60.1174.6000110.3P188 R191 Q192 I220P188-I195 HydrophobicContact CB-CD1 3.91Å; R191-I195 PolarHBondContact O-N 3.04Å; Q192-I195 PolarHBondContact O-N 3.44Å; Q192-I195 VanDerWaalsContact O-N 3.17Å; I195-I220 HydrophobicContact CD1-CD1 3.75Å; I195-I220 HydrophobicContact CG1-CD1 3.4Å
196L84.4Confident80Confident100 Ų10052 Ų5252%0.52428%0.282SS..Hα-helixtrans-74.2-46.3-177.7-68.7172.9000112.6Q192 K213Q192-L196 VanDerWaalsContact O-CG 3.3Å; Q192-L196 WeakPolarHBondContact O-CG 3.47Å; Q192-L196 PolarHBondContact O-N 3.48Å; L196-K213 WeakPolarHBondContact O-CE 3.41Å; L196-K213 PolarHBondContact O-NZ 2.94Å
197N84.8Confident80.6Confident106 Ų10655.7 Ų55.757%0.56730%0.302SS*.Hα-helixtrans-97.1-18.9-173.2-56.4-36.1000113.2Q193Q193-N197 VanDerWaalsContact O-CB 3.27Å; Q193-N197 WeakPolarHBondContact O-CB 3.22Å; Q193-N197 PolarHBondContact O-N 3.28Å; Q193-N197 PolarHBondContact O-ND2 3.25Å; Q193-N197 PolarHBondContact OE1-ND2 2.8Å
198G84.7Confident81.2Confident9 Ų963.7 Ų63.79%0.09334%0.336CS..  trans82.7157.4-17600000113.5E194 H211 S212E194-G198 CarbonylContact O-C 3.57Å; E194-G198 WeakPolarHBondContact O-CA 3.27Å; E194-G198 PolarHBondContact O-N 2.63Å; G198-H211 PolarHBondContact O-ND1 3.3Å; G198-S212 WeakPolarHBondContact CA-O 3.49Å
199I86.7Confident81.3Confident19 Ų1962.6 Ų62.610%0.09733%0.328CS..EExtended strand (participates in β ladder)trans-98.8150.4176.360.5173.7000110.9E194 V201 H211 S212 A215 A216 F313E194-I199 HydrophobicContact CB-CG2 3.9Å; E194-I199 HydrophobicContact CG-CG2 4.11Å; E194-I199 WeakPolarHBondContact OE2-CG2 3.42Å; I199-V201 PolarHBondContact O-N 3.38Å; I199-H211 CarbonylContact O-C 3.47Å; I199-H211 VanDerWaalsContact O-CA 3.31Å; I199-H211 WeakPolarHBondContact O-CA 3.2Å; I199-S212 PolarHBondContact N-O 3.41Å; I199-S212 PolarHBondContact O-N 2.59Å; I199-A215 HydrophobicContact CD1-CB 3.84Å; I199-A215 HydrophobicContact CG1-CB 3.77Å; I199-A216 HydrophobicContact CB-CB 4.44Å; I199-A216 HydrophobicContact CD1-CB 4.42Å; I199-A216 HydrophobicContact CG1-CB 4.07Å; I199-A216 HydrophobicContact CG2-CB 3.82Å; I199-F313 HydrophobicContact CD1-CB 3.78Å; I199-F313 HydrophobicContact CD1-CD2 3.36Å; I199-F313 HydrophobicContact CD1-CE2 4.2Å; I199-F313 HydrophobicContact CD1-CG 3.84Å; I199-F313 HydrophobicContact CG1-CB 4.42Å
200A86Confident81.8Confident41 Ų4160.9 Ų60.934%0.33933%0.326SS..EExtended strand (participates in β ladder)trans-65.2130.3177.900000110.8G210 H211A200-G210 CarbonylContact C-O 3.16Å; A200-G210 WeakPolarHBondContact CA-O 3.43Å; A200-H211 PolarHBondContact N-ND1 2.74Å
201V87.2Confident82.7Confident0 Ų064.3 Ų64.30%034%0.342CS..EExtended strand (participates in β ladder)trans-110.1137.7179.4179.20000108.3I199 L209 G210 A215 V311I199-V201 PolarHBondContact O-N 3.38Å; V201-L209 PolarHBondContact O-N 2.96Å; V201-G210 PolarHBondContact N-O 2.97Å; V201-A215 HydrophobicContact CG2-CB 4.05Å; V201-V311 HydrophobicContact CG1-CB 3.3Å; V201-V311 HydrophobicContact CG1-CG1 3.89Å; V201-V311 HydrophobicContact CG1-CG2 3.49Å; V201-V311 VanDerWaalsContact CG1-CG2 3.49Å
202T85.4Confident83.3Confident30 Ų3062.8 Ų62.818%0.18434%0.336CS..EExtended strand (participates in β ladder)trans-127.4152.6-174.555.40000111.4N207 K208 Y312T202-N207 CarbonylContact C-O 3.46Å; T202-N207 WeakPolarHBondContact CA-O 3.44Å; T202-K208 HydrophobicContact CG2-CG 4.24Å; T202-Y312 PolarHBondContact N-O 2.88Å; T202-Y312 PolarHBondContact O-N 2.99Å; T202-Y312 PolarHBondContact OG1-O 3.28Å
203D83.9Confident83.7Confident17 Ų1763.4 Ų63.49%0.09134%0.337CS..  trans-77.8176.2169.8-168.220.5000111.6N205 G206 N207 L209 R284D203-N205 PolarHBondContact O-N 3.05Å; D203-N205 PolarHBondContact OD2-ND2 3.1Å; D203-G206 PolarHBondContact O-N 3.47Å; D203-N207 HydrophobicContact CB-CB 4.49Å; D203-N207 PolarHBondContact N-O 3.41Å; D203-L209 HydrophobicContact CB-CD1 3.99Å; D203-L209 HydrophobicContact CB-CD2 4.26Å; D203-L209 HydrophobicContact CB-CG 4.2Å; D203-R284 PolarHBondContact O-NH2 3.17Å; D203-R284 VanDerWaalsContact O-NH2 3.09Å
204E79.6Confident84.1Confident115 Ų11563.4 Ų63.454%0.53734%0.336SS..THydrogen-bonded Turntrans-53.2-42172.9-70.1-168.7165.400111.5G206 R284 Y312E204-G206 PolarHBondContact O-N 3.25Å; E204-R284 PolarHBondContact O-NH2 2.93Å; E204-Y312 HydrophobicContact CB-CE2 4.27Å; E204-Y312 HydrophobicContact CG-CD2 4.16Å; E204-Y312 HydrophobicContact CG-CE2 3.23Å; E204-Y312 PolarHBondContact OE1-OH 2.87Å
205N76.7Confident84.3Confident128 Ų12860.8 Ų60.868%0.68432%0.323SS*.THydrogen-bonded Turntrans-74.3-0.1-179.8-59.2-51.7000114.1D203 N207D203-N205 PolarHBondContact O-N 3.05Å; D203-N205 PolarHBondContact OD2-ND2 3.1Å; N205-N207 VanDerWaalsContact C-N 3.29Å; N205-N207 PolarHBondContact O-N 3.43Å
206G73.6Confident84.3Confident43 Ų4358.1 Ų58.144%0.44331%0.31SS..  trans80.84.5-179.900000114.8D203 E204D203-G206 PolarHBondContact O-N 3.47Å; E204-G206 PolarHBondContact O-N 3.25Å
207N82.5Confident84.5Confident83 Ų8356.8 Ų56.844%0.44431%0.305SS..  trans-69.2131.5174.7-65-31.2000110.3T202 D203 N205 L209T202-N207 CarbonylContact C-O 3.46Å; T202-N207 WeakPolarHBondContact CA-O 3.44Å; D203-N207 HydrophobicContact CB-CB 4.49Å; D203-N207 PolarHBondContact N-O 3.41Å; N205-N207 VanDerWaalsContact C-N 3.29Å; N205-N207 PolarHBondContact O-N 3.43Å; N207-L209 PolarHBondContact O-N 2.91Å
208K84.2Confident84.7Confident171 Ų17155.3 Ų55.374%0.74329%0.294SS*.EExtended strand (participates in β ladder)trans-73.1121.3177.7-68.8-179.1-178.6176.80109.8T202T202-K208 HydrophobicContact CG2-CG 4.24Å
209L82Confident84.7Confident15 Ų1555 Ų558%0.07929%0.29CS..EExtended strand (participates in β ladder)trans-94.9-24.2-179.2-62.8175.5000112.4V201 D203 N207 I300 Y304 V308 V311V201-L209 PolarHBondContact O-N 2.96Å; D203-L209 HydrophobicContact CB-CD1 3.99Å; D203-L209 HydrophobicContact CB-CD2 4.26Å; D203-L209 HydrophobicContact CB-CG 4.2Å; N207-L209 PolarHBondContact O-N 2.91Å; L209-I300 HydrophobicContact CB-CD1 4.15Å; L209-I300 HydrophobicContact CB-CG1 4.25Å; L209-I300 HydrophobicContact CD1-CD1 4.26Å; L209-Y304 HydrophobicContact CD2-CD2 4.03Å; L209-Y304 HydrophobicContact CD2-CE2 3.62Å; L209-V308 HydrophobicContact CD1-CG1 4.19Å; L209-V311 HydrophobicContact CD1-CB 4.41Å; L209-V311 HydrophobicContact CD1-CG1 3.55Å
210G84.9Confident84.6Confident25 Ų2554.3 Ų54.326%0.25829%0.287SS..EExtended strand (participates in β ladder)trans149.6-164.1177.800000112.6A200 V201A200-G210 CarbonylContact C-O 3.16Å; A200-G210 WeakPolarHBondContact CA-O 3.43Å; V201-G210 PolarHBondContact N-O 2.97Å
211H87.2Confident84.7Confident123 Ų12355.7 Ų55.757%0.56929%0.291SS*.EExtended strand (participates in β ladder)trans-109.4135.1176.4-73.8-82.3000110.5G198 I199 A200G198-H211 PolarHBondContact O-ND1 3.3Å; I199-H211 CarbonylContact O-C 3.47Å; I199-H211 VanDerWaalsContact O-CA 3.31Å; I199-H211 WeakPolarHBondContact O-CA 3.2Å; A200-H211 PolarHBondContact N-ND1 2.74Å
212S87.8Confident84.6Confident0 Ų057 Ų570%030%0.297CS..EExtended strand (participates in β ladder)trans-128.4132.6174.7-175.40000112.8G198 I199 K214 A215 A216 E293G198-S212 WeakPolarHBondContact CA-O 3.49Å; I199-S212 PolarHBondContact N-O 3.41Å; I199-S212 PolarHBondContact O-N 2.59Å; S212-K214 PolarHBondContact OG-N 3.3Å; S212-A215 PolarHBondContact OG-N 2.89Å; S212-A216 PolarHBondContact O-N 3.45Å; S212-E293 VanDerWaalsContact CA-OE2 3.28Å; S212-E293 WeakPolarHBondContact CA-OE2 3.5Å; S212-E293 WeakPolarHBondContact CB-OE2 3.5Å; S212-E293 PolarHBondContact OG-OE2 3.29Å
213K89.1Confident84.3Confident99 Ų9955.6 Ų55.643%0.4329%0.289SS..Hα-helixtrans-78.5-35175.1-50.9-179.9-171.6-166.60111.1L196 A215 A216 V217 E293L196-K213 WeakPolarHBondContact O-CE 3.41Å; L196-K213 PolarHBondContact O-NZ 2.94Å; K213-A215 VanDerWaalsContact C-N 3.31Å; K213-A215 PolarHBondContact O-N 2.91Å; K213-A216 WeakPolarHBondContact O-CA 3.19Å; K213-A216 VanDerWaalsContact O-CB 3.29Å; K213-A216 WeakPolarHBondContact O-CB 3.24Å; K213-A216 PolarHBondContact O-N 2.94Å; K213-A216 VanDerWaalsContact O-N 3.09Å; K213-V217 WeakPolarHBondContact O-CG2 3.5Å; K213-V217 PolarHBondContact O-N 3.43Å; K213-E293 VanDerWaalsContact CB-OE1 3.25Å; K213-E293 WeakPolarHBondContact CB-OE1 3.41Å; K213-E293 WeakPolarHBondContact CG-OE1 2.85Å; K213-E293 PolarHBondContact N-OE1 2.85Å; K213-E293 PolarHBondContact N-OE2 3.37Å; K213-E293 VanDerWaalsContact N-OE2 3.11Å
214K87.5Confident84.2Confident96 Ų9655.4 Ų55.442%0.41729%0.288SS..Hα-helixtrans-62.9-38.1175.9-70.5-174.2-175.5175.20112.4S212 A216 V217 K218 K291 L292 E293S212-K214 PolarHBondContact OG-N 3.3Å; K214-A216 VanDerWaalsContact C-N 3.33Å; K214-V217 PolarHBondContact O-N 3.09Å; K214-K218 PolarHBondContact O-N 2.8Å; K214-K291 WeakPolarHBondContact CD-O 3.31Å; K214-K291 PolarHBondContact NZ-O 2.94Å; K214-L292 PolarHBondContact NZ-O 2.86Å; K214-E293 HydrophobicContact CD-CG 4.24Å; K214-E293 HydrophobicContact CG-CG 4.15Å
215A86Confident84.5Confident0 Ų053.5 Ų53.50%028%0.281CS..Hα-helixtrans-62.4-42172.800000111.3I199 V201 S212 K213 K218 G219 M287 F313I199-A215 HydrophobicContact CD1-CB 3.84Å; I199-A215 HydrophobicContact CG1-CB 3.77Å; V201-A215 HydrophobicContact CG2-CB 4.05Å; S212-A215 PolarHBondContact OG-N 2.89Å; K213-A215 VanDerWaalsContact C-N 3.31Å; K213-A215 PolarHBondContact O-N 2.91Å; A215-K218 PolarHBondContact O-N 3.3Å; A215-G219 PolarHBondContact O-N 2.81Å; A215-M287 HydrophobicContact CB-CE 4.44Å; A215-F313 HydrophobicContact CB-CB 4.3Å; A215-F313 HydrophobicContact CB-CD1 3.97Å; A215-F313 HydrophobicContact CB-CD2 4.33Å; A215-F313 HydrophobicContact CB-CE1 4.38Å; A215-F313 HydrophobicContact CB-CG 3.94Å; A215-F313 WeakPolarHBondContact O-CE2 3.47Å
216A86.3Confident84.5Confident0 Ų047.8 Ų47.80%025%0.251CS..Hα-helixtrans-60.4-48.9176.200000111.7E194 I199 S212 K213 K214 K218 G219 I220E194-A216 HydrophobicContact CB-CB 4.31Å; E194-A216 WeakPolarHBondContact O-CB 3.41Å; I199-A216 HydrophobicContact CB-CB 4.44Å; I199-A216 HydrophobicContact CD1-CB 4.42Å; I199-A216 HydrophobicContact CG1-CB 4.07Å; I199-A216 HydrophobicContact CG2-CB 3.82Å; S212-A216 PolarHBondContact O-N 3.45Å; K213-A216 WeakPolarHBondContact O-CA 3.19Å; K213-A216 VanDerWaalsContact O-CB 3.29Å; K213-A216 WeakPolarHBondContact O-CB 3.24Å; K213-A216 PolarHBondContact O-N 2.94Å; K213-A216 VanDerWaalsContact O-N 3.09Å; K214-A216 VanDerWaalsContact C-N 3.33Å; A216-K218 PolarHBondContact O-N 2.87Å; A216-G219 PolarHBondContact O-N 2.82Å; A216-I220 WeakPolarHBondContact O-CB 3.48Å; A216-I220 VanDerWaalsContact O-CG1 3.28Å; A216-I220 WeakPolarHBondContact O-CG1 3.34Å; A216-I220 PolarHBondContact O-N 3.01Å
217V88.6Confident84.5Confident72 Ų7247.9 Ų47.944%0.43624%0.238SC..Hα-helixtrans-58.8-48.1177.7175.70000111K213 K214 G219 I220 T221K213-V217 WeakPolarHBondContact O-CG2 3.5Å; K213-V217 PolarHBondContact O-N 3.43Å; K214-V217 PolarHBondContact O-N 3.09Å; V217-G219 VanDerWaalsContact C-N 3.32Å; V217-G219 PolarHBondContact O-N 2.89Å; V217-I220 PolarHBondContact O-N 2.93Å; V217-T221 PolarHBondContact O-N 2.85Å; V217-T221 PolarHBondContact O-OG1 3.16Å
218K88.3Confident84.1Confident76 Ų7645.5 Ų45.533%0.3323%0.225SC..Hα-helixtrans-58.5-44.6177.4-178.4177.7174.1-171.30111.7K214 A215 A216 T221 Q222 S286 M287 F313K214-K218 PolarHBondContact O-N 2.8Å; A215-K218 PolarHBondContact O-N 3.3Å; A216-K218 PolarHBondContact O-N 2.87Å; K218-T221 PolarHBondContact O-N 2.83Å; K218-Q222 WeakPolarHBondContact O-CG 3.32Å; K218-Q222 PolarHBondContact O-N 3.47Å; K218-Q222 VanDerWaalsContact O-N 3.11Å; K218-S286 PolarHBondContact NZ-O 3.24Å; K218-M287 HydrophobicContact CB-CE 3.73Å; K218-M287 HydrophobicContact CD-CE 3.37Å; K218-M287 HydrophobicContact CG-CE 4.17Å; K218-F313 HydrophobicContact CB-CZ 4.3Å; K218-F313 HydrophobicContact CD-CE1 4.38Å; K218-F313 HydrophobicContact CD-CZ 3.96Å; K218-F313 HydrophobicContact CG-CZ 4.17Å
219G84.8Confident84Confident1 Ų139.9 Ų39.91%0.0121%0.205CC..Hα-helixtrans-62.1-47.1178.300000112.3A215 A216 V217 T221 Q222 V223A215-G219 PolarHBondContact O-N 2.81Å; A216-G219 PolarHBondContact O-N 2.82Å; V217-G219 VanDerWaalsContact C-N 3.32Å; V217-G219 PolarHBondContact O-N 2.89Å; G219-T221 PolarHBondContact O-N 3.22Å; G219-Q222 WeakPolarHBondContact O-CB 3.19Å; G219-Q222 PolarHBondContact O-N 3.48Å; G219-V223 WeakPolarHBondContact O-CG2 3.35Å; G219-V223 PolarHBondContact O-N 3Å
220I84.8Confident83.6Confident5 Ų540.9 Ų40.93%0.02621%0.21CC..Hα-helixtrans-62-44.4178.2-69.1167.7000111I187 P188 R191 I195 A216 V217 Q222 V223 V224I187-I220 HydrophobicContact CG2-CG2 4.12Å; P188-I220 HydrophobicContact CB-CG2 4.32Å; P188-I220 HydrophobicContact CG-CG2 3.88Å; R191-I220 HydrophobicContact CB-CD1 3.78Å; R191-I220 HydrophobicContact CB-CG1 4.19Å; I195-I220 HydrophobicContact CD1-CD1 3.75Å; I195-I220 HydrophobicContact CG1-CD1 3.4Å; A216-I220 WeakPolarHBondContact O-CB 3.48Å; A216-I220 VanDerWaalsContact O-CG1 3.28Å; A216-I220 WeakPolarHBondContact O-CG1 3.34Å; A216-I220 PolarHBondContact O-N 3.01Å; V217-I220 PolarHBondContact O-N 2.93Å; I220-Q222 VanDerWaalsContact C-N 3.31Å; I220-Q222 PolarHBondContact O-N 3.04Å; I220-V223 WeakPolarHBondContact O-CB 3Å; I220-V223 PolarHBondContact O-N 3.29Å; I220-V223 VanDerWaalsContact O-N 3.1Å; I220-V224 HydrophobicContact CG2-CG2 4.45Å; I220-V224 WeakPolarHBondContact O-CG2 3.49Å; I220-V224 PolarHBondContact O-N 2.96Å
221T88.1Confident82.7Confident71 Ų7139.9 Ų39.944%0.43620%0.199SC..Hα-helixtrans-59.2-41.9176.1-56.90000111.9V217 K218 G219 V223 V224 I225V217-T221 PolarHBondContact O-N 2.85Å; V217-T221 PolarHBondContact O-OG1 3.16Å; K218-T221 PolarHBondContact O-N 2.83Å; G219-T221 PolarHBondContact O-N 3.22Å; T221-V223 VanDerWaalsContact C-N 3.32Å; T221-V223 PolarHBondContact O-N 2.89Å; T221-V224 PolarHBondContact O-N 3.21Å; T221-I225 HydrophobicContact CG2-CD1 4.1Å; T221-I225 WeakPolarHBondContact O-CG1 3.26Å; T221-I225 PolarHBondContact O-N 3.49Å
222Q85.3Confident82Confident26 Ų2635 Ų3512%0.12118%0.181CC..Hα-helixtrans-63.9-37.3175.6-72.7176.4-30.500112.3K218 G219 I220 S226 F281 C285 K315K218-Q222 WeakPolarHBondContact O-CG 3.32Å; K218-Q222 PolarHBondContact O-N 3.47Å; K218-Q222 VanDerWaalsContact O-N 3.11Å; G219-Q222 WeakPolarHBondContact O-CB 3.19Å; G219-Q222 PolarHBondContact O-N 3.48Å; I220-Q222 VanDerWaalsContact C-N 3.31Å; I220-Q222 PolarHBondContact O-N 3.04Å; Q222-S226 WeakPolarHBondContact O-CB 2.93Å; Q222-S226 PolarHBondContact O-N 3.48Å; Q222-S226 PolarHBondContact O-OG 3.21Å; Q222-F281 HydrophobicContact CB-CB 4.43Å; Q222-F281 HydrophobicContact CB-CD2 3.85Å; Q222-F281 HydrophobicContact CB-CE2 4.19Å; Q222-F281 HydrophobicContact CB-CG 4.02Å; Q222-F281 HydrophobicContact CG-CD1 4.11Å; Q222-F281 HydrophobicContact CG-CD2 4.28Å; Q222-F281 HydrophobicContact CG-CE1 4.31Å; Q222-F281 HydrophobicContact CG-CE2 4.47Å; Q222-F281 HydrophobicContact CG-CG 4.09Å; Q222-F281 HydrophobicContact CG-CZ 4.49Å; Q222-F281 WeakPolarHBondContact O-CD2 3.31Å; Q222-F281 WeakPolarHBondContact O-CE2 3.37Å; Q222-C285 PolarHBondContact OE1-SG 2.92Å; Q222-K315 HydrophobicContact CB-CD 3.78Å; Q222-K315 HydrophobicContact CB-CG 4.4Å
223V80.1Confident81.3Confident2 Ų236.2 Ų36.21%0.01219%0.188CC..Hα-helixtrans-66-43.9174.9175.30000110.7I187 G219 I220 T221 I225 S226 R227 K315I187-V223 HydrophobicContact CD1-CG1 4Å; I187-V223 HydrophobicContact CG2-CB 4.46Å; I187-V223 HydrophobicContact CG2-CG1 3.98Å; G219-V223 WeakPolarHBondContact O-CG2 3.35Å; G219-V223 PolarHBondContact O-N 3Å; I220-V223 WeakPolarHBondContact O-CB 3Å; I220-V223 PolarHBondContact O-N 3.29Å; I220-V223 VanDerWaalsContact O-N 3.1Å; T221-V223 VanDerWaalsContact C-N 3.32Å; T221-V223 PolarHBondContact O-N 2.89Å; V223-I225 PolarHBondContact O-N 3.38Å; V223-S226 WeakPolarHBondContact O-CB 3.12Å; V223-S226 PolarHBondContact O-N 2.85Å; V223-R227 WeakPolarHBondContact O-CG 3.02Å; V223-R227 PolarHBondContact O-N 2.89Å; V223-K315 HydrophobicContact CG2-CD 4.09Å; V223-K315 HydrophobicContact CG2-CG 3.97Å
224V80.7Confident80.1Confident13 Ų1331.8 Ų31.88%0.07917%0.171CC..Hα-helixtrans-56.1-50.2174.4173.30000111C184 I187 I220 T221 S226 R227 I228C184-V224 HydrophobicContact CB-CG1 4.5Å; I187-V224 HydrophobicContact CB-CG2 3.97Å; I187-V224 HydrophobicContact CD1-CB 4.26Å; I187-V224 HydrophobicContact CD1-CG2 3.74Å; I187-V224 HydrophobicContact CG1-CG2 4.35Å; I187-V224 HydrophobicContact CG2-CG2 4.38Å; I220-V224 HydrophobicContact CG2-CG2 4.45Å; I220-V224 WeakPolarHBondContact O-CG2 3.49Å; I220-V224 PolarHBondContact O-N 2.96Å; T221-V224 PolarHBondContact O-N 3.21Å; V224-S226 VanDerWaalsContact C-N 3.3Å; V224-S226 PolarHBondContact O-N 3.22Å; V224-R227 PolarHBondContact O-N 3.44Å; V224-I228 HydrophobicContact CG1-CD1 3.77Å; V224-I228 HydrophobicContact CG1-CG1 4.46Å; V224-I228 WeakPolarHBondContact O-CG1 3.44Å; V224-I228 PolarHBondContact O-N 2.88Å
225I85.3Confident79.2Confident74 Ų7428 Ų2838%0.37915%0.154SC..Hα-helixtrans-59.8-42.2178.4-66.3165.7000111.1T221 V223 R227 I228 T229 L280 F281T221-I225 HydrophobicContact CG2-CD1 4.1Å; T221-I225 WeakPolarHBondContact O-CG1 3.26Å; T221-I225 PolarHBondContact O-N 3.49Å; V223-I225 PolarHBondContact O-N 3.38Å; I225-R227 VanDerWaalsContact C-N 3.35Å; I225-R227 PolarHBondContact O-N 3.39Å; I225-I228 PolarHBondContact O-N 3.44Å; I225-T229 WeakPolarHBondContact O-CB 3.39Å; I225-T229 PolarHBondContact O-N 2.9Å; I225-T229 PolarHBondContact O-OG1 3.2Å; I225-L280 HydrophobicContact CG2-CD2 4.43Å; I225-F281 HydrophobicContact CB-CE2 4.05Å; I225-F281 HydrophobicContact CB-CZ 4.41Å; I225-F281 HydrophobicContact CG2-CE2 3.87Å; I225-F281 HydrophobicContact CG2-CZ 4Å
226S77.4Confident78.5Confident9 Ų931.1 Ų31.16%0.06317%0.171CC..Hα-helixtrans-61.1-44.5178-530000111Q222 V223 V224 T229 M230 A277 F281Q222-S226 WeakPolarHBondContact O-CB 2.93Å; Q222-S226 PolarHBondContact O-N 3.48Å; Q222-S226 PolarHBondContact O-OG 3.21Å; V223-S226 WeakPolarHBondContact O-CB 3.12Å; V223-S226 PolarHBondContact O-N 2.85Å; V224-S226 VanDerWaalsContact C-N 3.3Å; V224-S226 PolarHBondContact O-N 3.22Å; S226-T229 PolarHBondContact O-N 2.91Å; S226-M230 PolarHBondContact O-N 2.92Å; S226-A277 WeakPolarHBondContact O-CB 3.44Å; S226-F281 WeakPolarHBondContact OG-CD2 3.03Å
227R73.2Confident77.8Confident45 Ų4534.6 Ų34.617%0.1719%0.189CC..Hα-helixtrans-66.4-40.4179.3-67.7-149.9-176.2-143.8-4.8113.1N183 I187 V223 V224 I225 T229 M230 A231N183-R227 WeakPolarHBondContact OD1-CB 3.34Å; N183-R227 WeakPolarHBondContact OD1-CD 3.32Å; I187-R227 HydrophobicContact CD1-CB 4.17Å; I187-R227 VanDerWaalsContact CD1-CD 3.42Å; I187-R227 HydrophobicContact CD1-CG 3.77Å; V223-R227 WeakPolarHBondContact O-CG 3.02Å; V223-R227 PolarHBondContact O-N 2.89Å; V224-R227 PolarHBondContact O-N 3.44Å; I225-R227 VanDerWaalsContact C-N 3.35Å; I225-R227 PolarHBondContact O-N 3.39Å; R227-T229 VanDerWaalsContact C-N 3.32Å; R227-T229 PolarHBondContact O-N 3.41Å; R227-M230 WeakPolarHBondContact O-CB 3.2Å; R227-M230 PolarHBondContact O-N 2.81Å; R227-A231 PolarHBondContact O-N 3.44Å
228I75.6Confident76.8Confident32 Ų3231.4 Ų31.416%0.16417%0.169CC..Hα-helixtrans-63.1-43174.9-65.3171.3000110.3F176 A180 N183 V224 I225 M230 A231 A232F176-I228 HydrophobicContact CE1-CG2 4.36Å; F176-I228 HydrophobicContact CE2-CG2 3.74Å; F176-I228 HydrophobicContact CZ-CG2 3.44Å; F176-I228 VanDerWaalsContact CZ-CG2 3.44Å; A180-I228 HydrophobicContact CB-CD1 3.88Å; A180-I228 HydrophobicContact CB-CG1 4.03Å; A180-I228 HydrophobicContact CB-CG2 4.15Å; N183-I228 HydrophobicContact CB-CG1 4.27Å; V224-I228 HydrophobicContact CG1-CD1 3.77Å; V224-I228 HydrophobicContact CG1-CG1 4.46Å; V224-I228 WeakPolarHBondContact O-CG1 3.44Å; V224-I228 PolarHBondContact O-N 2.88Å; I225-I228 PolarHBondContact O-N 3.44Å; I228-M230 VanDerWaalsContact C-N 3.29Å; I228-M230 PolarHBondContact O-N 3.36Å; I228-A231 PolarHBondContact O-N 3.39Å; I228-A232 PolarHBondContact O-N 2.84Å
229T81.7Confident75.8Confident54 Ų5428.9 Ų28.933%0.33116%0.161SC..Hα-helixtrans-63-37178-55.30000111.8I225 S226 R227 A231 A232 P233 L280I225-T229 WeakPolarHBondContact O-CB 3.39Å; I225-T229 PolarHBondContact O-N 2.9Å; I225-T229 PolarHBondContact O-OG1 3.2Å; S226-T229 PolarHBondContact O-N 2.91Å; R227-T229 VanDerWaalsContact C-N 3.32Å; R227-T229 PolarHBondContact O-N 3.41Å; T229-A231 VanDerWaalsContact C-N 3.34Å; T229-A231 PolarHBondContact O-N 2.69Å; T229-A232 PolarHBondContact O-N 3.11Å; T229-P233 WeakPolarHBondContact O-CD 3.49Å; T229-L280 HydrophobicContact CG2-CD2 4.45Å
230M72.7Confident75.2Confident35 Ų3532 Ų3217%0.17218%0.176CC..Hα-helixtrans-62.2-38.5177.3-171175.766.700112.9S226 R227 I228 L270 M273 V274 A277S226-M230 PolarHBondContact O-N 2.92Å; R227-M230 WeakPolarHBondContact O-CB 3.2Å; R227-M230 PolarHBondContact O-N 2.81Å; I228-M230 VanDerWaalsContact C-N 3.29Å; I228-M230 PolarHBondContact O-N 3.36Å; M230-L270 HydrophobicContact CG-CD2 4.29Å; M230-M273 HydrophobicContact CG-CB 4.2Å; M230-V274 HydrophobicContact CG-CG2 4.29Å; M230-V274 HydrophobicContact SD-CB 4.13Å; M230-V274 HydrophobicContact SD-CG2 3.44Å; M230-V274 WeakPolarHBondContact SD-CG2 3.39Å; M230-A277 HydrophobicContact CB-CB 3.7Å; M230-A277 HydrophobicContact CG-CB 4.17Å
231A65.8Low74.5Confident5 Ų534.5 Ų34.54%0.04119%0.189CC..Hα-helixtrans-78-25.4-179.300000113.6E128 V179 R227 I228 T229 G234 M235E128-A231 WeakPolarHBondContact OE1-CA 3.3Å; E128-A231 VanDerWaalsContact OE1-CB 3.31Å; E128-A231 WeakPolarHBondContact OE1-CB 3.43Å; V179-A231 HydrophobicContact CG1-CB 4.04Å; R227-A231 PolarHBondContact O-N 3.44Å; I228-A231 PolarHBondContact O-N 3.39Å; T229-A231 VanDerWaalsContact C-N 3.34Å; T229-A231 PolarHBondContact O-N 2.69Å; A231-G234 PolarHBondContact O-N 3.05Å; A231-M235 PolarHBondContact O-N 2.67Å; A231-M235 VanDerWaalsContact O-N 3.13Å
232A72.9Confident73.5Confident21 Ų2131.4 Ų31.417%0.17417%0.17CC..Hα-helixtrans-55.9-46.3-172.100000114.5F176 I228 T229 M235 I236F176-A232 HydrophobicContact CD2-CB 4.28Å; F176-A232 HydrophobicContact CE2-CB 3.62Å; F176-A232 HydrophobicContact CZ-CB 4.33Å; I228-A232 PolarHBondContact O-N 2.84Å; T229-A232 PolarHBondContact O-N 3.11Å; A232-M235 PolarHBondContact O-N 2.96Å; A232-I236 HydrophobicContact CB-CD1 4.39Å; A232-I236 WeakPolarHBondContact O-CB 3.28Å; A232-I236 WeakPolarHBondContact O-CD1 3.42Å; A232-I236 VanDerWaalsContact O-CG1 3.23Å; A232-I236 WeakPolarHBondContact O-CG1 3.33Å; A232-I236 PolarHBondContact O-N 3.46Å
233P72.5Confident72.7Confident25 Ų2535.8 Ų35.816%0.16219%0.19CC..Hα-helixtrans-68.6-38.5-177.9-22.737.3000112.6T229 M235 I237 F269 M273T229-P233 WeakPolarHBondContact O-CD 3.49Å; P233-M235 VanDerWaalsContact C-N 3.33Å; P233-M235 PolarHBondContact O-N 3.47Å; P233-I237 HydrophobicContact CB-CD1 4.01Å; P233-I237 WeakPolarHBondContact O-CA 3.47Å; P233-I237 WeakPolarHBondContact O-CB 3.27Å; P233-I237 WeakPolarHBondContact O-CG1 3.46Å; P233-I237 PolarHBondContact O-N 3.06Å; P233-F269 HydrophobicContact CB-CD1 4.46Å; P233-M273 HydrophobicContact CB-CG 4.33Å; P233-M273 HydrophobicContact CG-CE 3.65Å; P233-M273 HydrophobicContact CG-CG 3.9Å; P233-M273 HydrophobicContact CG-SD 3.71Å
234G65.4Low72.6Confident6 Ų644.1 Ų44.16%0.06222%0.221CC..Hα-helixtrans-57.7-49.4174.800000110.5A231 I236 L238A231-G234 PolarHBondContact O-N 3.05Å; G234-I236 PolarHBondContact O-N 3.02Å; G234-L238 WeakPolarHBondContact O-CB 3.26Å; G234-L238 PolarHBondContact O-N 3.45Å; G234-L238 VanDerWaalsContact O-N 3.17Å
235M67.6Low72.2Confident15 Ų1546.2 Ų46.27%0.07423%0.232CC..Hα-helixtrans-72.4-31.2-176.3-69.6-61-121.400115.2I124 L125 E128 P175 V179 A231 A232 P233 P239I124-M235 HydrophobicContact CB-CE 4.45Å; I124-M235 HydrophobicContact CB-SD 4.28Å; I124-M235 HydrophobicContact CG2-CE 3.99Å; I124-M235 HydrophobicContact CG2-SD 3.37Å; I124-M235 WeakPolarHBondContact CG2-SD 3.4Å; L125-M235 HydrophobicContact CB-CE 4.32Å; L125-M235 HydrophobicContact CG-CE 4.2Å; E128-M235 HydrophobicContact CB-CE 4.47Å; E128-M235 WeakPolarHBondContact OE2-CE 3.26Å; E128-M235 WeakPolarHBondContact OE2-CG 3.42Å; P175-M235 HydrophobicContact CB-CE 3.29Å; P175-M235 HydrophobicContact CB-SD 4.24Å; V179-M235 HydrophobicContact CG2-CE 3.86Å; A231-M235 PolarHBondContact O-N 2.67Å; A231-M235 VanDerWaalsContact O-N 3.13Å; A232-M235 PolarHBondContact O-N 2.96Å; P233-M235 VanDerWaalsContact C-N 3.33Å; P233-M235 PolarHBondContact O-N 3.47Å; M235-P239 VanDerWaalsContact O-CD 3.25Å; M235-P239 WeakPolarHBondContact O-CD 3.31Å; M235-P239 VanDerWaalsContact O-CG 3.29Å; M235-P239 WeakPolarHBondContact O-CG 3.25Å
236I70.8Confident71.5Confident67 Ų6746.7 Ų46.734%0.34423%0.232SC..Hα-helixtrans-89.5-44.9-176.5-62.6167.4000110.9W173 A232 G234 I240W173-I236 HydrophobicContact CH2-CD1 3.73Å; W173-I236 HydrophobicContact CH2-CG1 4.16Å; W173-I236 HydrophobicContact CZ3-CD1 3.74Å; W173-I236 HydrophobicContact CZ3-CG1 4.07Å; A232-I236 HydrophobicContact CB-CD1 4.39Å; A232-I236 WeakPolarHBondContact O-CB 3.28Å; A232-I236 WeakPolarHBondContact O-CD1 3.42Å; A232-I236 VanDerWaalsContact O-CG1 3.23Å; A232-I236 WeakPolarHBondContact O-CG1 3.33Å; A232-I236 PolarHBondContact O-N 3.46Å; G234-I236 PolarHBondContact O-N 3.02Å; I236-I240 WeakPolarHBondContact O-CD1 3.31Å; I236-I240 WeakPolarHBondContact O-CG1 3.07Å
237I72.1Confident71.4Confident73 Ų7353.6 Ų53.637%0.37426%0.261SS..Hα-helixtrans-88.2-39.6-169.2-54.5176.2000111P233 I240 I241 F269P233-I237 HydrophobicContact CB-CD1 4.01Å; P233-I237 WeakPolarHBondContact O-CA 3.47Å; P233-I237 WeakPolarHBondContact O-CB 3.27Å; P233-I237 WeakPolarHBondContact O-CG1 3.46Å; P233-I237 PolarHBondContact O-N 3.06Å; I237-I240 WeakPolarHBondContact O-CB 3.35Å; I237-I240 PolarHBondContact O-N 3.43Å; I237-I241 HydrophobicContact CG2-CD1 3.71Å; I237-I241 HydrophobicContact CG2-CG1 4.06Å; I237-I241 PolarHBondContact O-N 2.77Å; I237-F269 HydrophobicContact CB-CE1 4.5Å; I237-F269 HydrophobicContact CB-CZ 4.1Å; I237-F269 HydrophobicContact CD1-CE1 4.44Å; I237-F269 HydrophobicContact CG2-CE1 4.37Å; I237-F269 HydrophobicContact CG2-CZ 3.82Å
238L66.9Low71.6Confident4 Ų459.1 Ų59.12%0.02128%0.283CS..Hα-helixtrans-56.9-45.1-177.4-172.575.5000112.8G234 I240 I241 M242 L265 V266 F269G234-L238 WeakPolarHBondContact O-CB 3.26Å; G234-L238 PolarHBondContact O-N 3.45Å; G234-L238 VanDerWaalsContact O-N 3.17Å; L238-I240 VanDerWaalsContact C-N 3.25Å; L238-I240 PolarHBondContact O-N 2.92Å; L238-I241 PolarHBondContact O-N 3.18Å; L238-M242 WeakPolarHBondContact O-CB 3.36Å; L238-M242 PolarHBondContact O-N 3.35Å; L238-L265 HydrophobicContact CD1-CB 3.27Å; L238-L265 HydrophobicContact CD1-CD1 3.7Å; L238-L265 HydrophobicContact CD1-CG 4.12Å; L238-V266 HydrophobicContact CD2-CG2 3.44Å; L238-V266 VanDerWaalsContact CD2-CG2 3.44Å; L238-F269 HydrophobicContact CB-CE2 4.47Å; L238-F269 HydrophobicContact CD1-CE2 4.23Å
239P68.6Low71.3Confident24 Ų2466 Ų6616%0.15631%0.312CS..Hα-helixtrans-64-30.5178.5-22.435.4000113M235 Q243M235-P239 VanDerWaalsContact O-CD 3.25Å; M235-P239 WeakPolarHBondContact O-CD 3.31Å; M235-P239 VanDerWaalsContact O-CG 3.29Å; M235-P239 WeakPolarHBondContact O-CG 3.25Å; P239-Q243 VanDerWaalsContact O-CB 3.27Å; P239-Q243 WeakPolarHBondContact O-CB 3.35Å; P239-Q243 PolarHBondContact O-N 3.41Å
240I71Confident70.9Confident66 Ų6669.6 Ų69.634%0.33832%0.323SS..Hα-helixtrans-70-44.8176.4-58173.6000110.3I236 I237 L238 M242 R244I236-I240 WeakPolarHBondContact O-CD1 3.31Å; I236-I240 WeakPolarHBondContact O-CG1 3.07Å; I237-I240 WeakPolarHBondContact O-CB 3.35Å; I237-I240 PolarHBondContact O-N 3.43Å; L238-I240 VanDerWaalsContact C-N 3.25Å; L238-I240 PolarHBondContact O-N 2.92Å; I240-M242 VanDerWaalsContact C-N 3.33Å; I240-R244 PolarHBondContact O-N 3.23Å
241I70.8Confident70.5Confident57 Ų5768.1 Ų68.129%0.29232%0.316SS..Hα-helixtrans-61.6-46.8176.5-66.6175.2000109.3I237 L238 Q243 R244 L245 L265 F269I237-I241 HydrophobicContact CG2-CD1 3.71Å; I237-I241 HydrophobicContact CG2-CG1 4.06Å; I237-I241 PolarHBondContact O-N 2.77Å; L238-I241 PolarHBondContact O-N 3.18Å; I241-Q243 PolarHBondContact O-N 3.01Å; I241-R244 WeakPolarHBondContact O-CB 3.18Å; I241-R244 PolarHBondContact O-N 2.96Å; I241-R244 VanDerWaalsContact O-N 3.11Å; I241-L245 WeakPolarHBondContact O-CB 3.36Å; I241-L245 PolarHBondContact O-N 3.25Å; I241-L265 HydrophobicContact CG2-CD1 4.12Å; I241-F269 HydrophobicContact CD1-CE2 4.24Å; I241-F269 HydrophobicContact CD1-CZ 3.83Å
242M66.4Low70.4Confident7 Ų773.7 Ų73.73%0.03434%0.341CS..Hα-helixtrans-61.1-46.7-179.3-165.766.5-176.900112L238 I240 R244 L245 E246 M251 H258 Q262L238-M242 WeakPolarHBondContact O-CB 3.36Å; L238-M242 PolarHBondContact O-N 3.35Å; I240-M242 VanDerWaalsContact C-N 3.33Å; M242-R244 PolarHBondContact O-N 3.41Å; M242-L245 PolarHBondContact O-N 3.36Å; M242-E246 HydrophobicContact CE-CG 4.1Å; M242-E246 WeakPolarHBondContact CE-OE1 3.14Å; M242-E246 HydrophobicContact CG-CG 4.35Å; M242-E246 WeakPolarHBondContact CG-OE1 3.17Å; M242-E246 WeakPolarHBondContact O-CB 3.48Å; M242-E246 WeakPolarHBondContact O-CG 3.34Å; M242-E246 PolarHBondContact O-N 2.89Å; M242-M251 HydrophobicContact CE-CE 3.77Å; M242-M251 HydrophobicContact SD-CE 4.39Å; M242-H258 HydrophobicContact CE-CB 3.77Å; M242-H258 WeakPolarHBondContact CE-ND1 3.46Å; M242-Q262 HydrophobicContact CE-CG 4.23Å; M242-Q262 HydrophobicContact SD-CG 3.94Å
243Q70.3Confident69.9Low117 Ų11783.3 Ų83.355%0.54737%0.373SS..Hα-helixtrans-60.5-29.5176.4-171.2-176.34.500112.7P239 I241P239-Q243 VanDerWaalsContact O-CB 3.27Å; P239-Q243 WeakPolarHBondContact O-CB 3.35Å; P239-Q243 PolarHBondContact O-N 3.41Å; I241-Q243 PolarHBondContact O-N 3.01Å
244R76.6Confident69.6Low178 Ų17885.5 Ų85.567%0.67238%0.382SS*.Hα-helixtrans-78.6-37.9172.2-72.9-173.8177.2179.2-0.4112I240 I241 M242 K247I240-R244 PolarHBondContact O-N 3.23Å; I241-R244 WeakPolarHBondContact O-CB 3.18Å; I241-R244 PolarHBondContact O-N 2.96Å; I241-R244 VanDerWaalsContact O-N 3.11Å; M242-R244 PolarHBondContact O-N 3.41Å; R244-K247 PolarHBondContact O-N 2.98Å
245L73.5Confident69.4Low56 Ų5690.1 Ų90.129%0.29341%0.41SS..Hα-helixtrans-67.9-37.9-179.8-143.578000112I241 M242 K247 Y248 M251 I261I241-L245 WeakPolarHBondContact O-CB 3.36Å; I241-L245 PolarHBondContact O-N 3.25Å; M242-L245 PolarHBondContact O-N 3.36Å; L245-K247 PolarHBondContact O-N 2.98Å; L245-K247 VanDerWaalsContact O-N 3.16Å; L245-Y248 WeakPolarHBondContact O-CD2 3.38Å; L245-Y248 PolarHBondContact O-N 2.95Å; L245-Y248 VanDerWaalsContact O-N 3.08Å; L245-M251 HydrophobicContact CD2-CE 3.97Å; L245-M251 HydrophobicContact CD2-SD 3.83Å; L245-M251 HydrophobicContact CG-SD 4.34Å; L245-M251 WeakPolarHBondContact O-CB 3.29Å; L245-I261 HydrophobicContact CD2-CG2 3.78Å
246E69.6Low69.2Low84 Ų8497.9 Ų97.939%0.39344%0.443SS..THydrogen-bonded Turntrans-65.2-13.5177.9-75.4172-17700113.9M242 Y248 Q252M242-E246 HydrophobicContact CE-CG 4.1Å; M242-E246 WeakPolarHBondContact CE-OE1 3.14Å; M242-E246 HydrophobicContact CG-CG 4.35Å; M242-E246 WeakPolarHBondContact CG-OE1 3.17Å; M242-E246 WeakPolarHBondContact O-CB 3.48Å; M242-E246 WeakPolarHBondContact O-CG 3.34Å; M242-E246 PolarHBondContact O-N 2.89Å; E246-Y248 VanDerWaalsContact C-N 3.3Å; E246-Q252 VanDerWaalsContact O-CG 3.24Å; E246-Q252 WeakPolarHBondContact O-CG 3.39Å; E246-Q252 PolarHBondContact O-NE2 3.02Å
247K74.8Confident69Low155 Ų15597.4 Ų97.467%0.67444%0.441SS*.THydrogen-bonded Turntrans-77-15.6173-65.4-175.8179.2-172.40113.2R244 L245R244-K247 PolarHBondContact O-N 2.98Å; L245-K247 PolarHBondContact O-N 2.98Å; L245-K247 VanDerWaalsContact O-N 3.16Å
248Y78.7Confident68.5Low160 Ų16095.9 Ų95.963%0.62743%0.432SS*.SBendtrans-82.4135-179.9-70.6-82.8000111.5L245 E246 F250 M251 Q252L245-Y248 WeakPolarHBondContact O-CD2 3.38Å; L245-Y248 PolarHBondContact O-N 2.95Å; L245-Y248 VanDerWaalsContact O-N 3.08Å; E246-Y248 VanDerWaalsContact C-N 3.3Å; Y248-F250 PolarHBondContact O-N 2.82Å; Y248-F250 VanDerWaalsContact O-N 3.14Å; Y248-M251 WeakPolarHBondContact O-CB 3.46Å; Y248-M251 PolarHBondContact O-N 2.9Å; Y248-Q252 PolarHBondContact O-N 2.87Å; Y248-Q252 VanDerWaalsContact O-N 3.13Å
249K70Confident68.1Low178 Ų17897.3 Ų97.377%0.77445%0.449SS*.Hα-helixtrans-56.6-30.6-179-69.4-174.9177.7-179.50114.1R253K249-R253 WeakPolarHBondContact O-CB 3.41Å; K249-R253 PolarHBondContact O-N 3.2Å
250F72.1Confident67.8Low128 Ų12899.1 Ų99.156%0.56146%0.46SS*.Hα-helixtrans-64.7-42.6174.9173.2-102000111.8Y248 R253 I254 L257Y248-F250 PolarHBondContact O-N 2.82Å; Y248-F250 VanDerWaalsContact O-N 3.14Å; F250-R253 PolarHBondContact O-N 3.29Å; F250-I254 HydrophobicContact CD2-CD1 4.15Å; F250-I254 HydrophobicContact CE2-CD1 3.54Å; F250-I254 HydrophobicContact CZ-CD1 3.91Å; F250-I254 PolarHBondContact O-N 3.04Å; F250-L257 HydrophobicContact CE1-CD2 4.03Å; F250-L257 HydrophobicContact CZ-CD2 4.12Å
251M64.3Low67.5Low5 Ų597.8 Ų97.83%0.02545%0.453CS..Hα-helixtrans-72.1-35.6-179.5-155.177.7-175.800111.7M242 L245 Y248 R253 H258 I261M242-M251 HydrophobicContact CE-CE 3.77Å; M242-M251 HydrophobicContact SD-CE 4.39Å; L245-M251 HydrophobicContact CD2-CE 3.97Å; L245-M251 HydrophobicContact CD2-SD 3.83Å; L245-M251 HydrophobicContact CG-SD 4.34Å; L245-M251 WeakPolarHBondContact O-CB 3.29Å; Y248-M251 WeakPolarHBondContact O-CB 3.46Å; Y248-M251 PolarHBondContact O-N 2.9Å; M251-R253 VanDerWaalsContact C-N 3.27Å; M251-R253 PolarHBondContact O-N 3.03Å; M251-H258 HydrophobicContact CE-CB 4.37Å; M251-H258 WeakPolarHBondContact CE-ND1 3.49Å; M251-H258 PolarHBondContact O-NE2 3.3Å; M251-I261 HydrophobicContact CE-CB 4.19Å; M251-I261 HydrophobicContact CE-CD1 3.45Å; M251-I261 VanDerWaalsContact CE-CD1 3.45Å; M251-I261 HydrophobicContact CE-CG1 4.38Å; M251-I261 HydrophobicContact CE-CG2 4.23Å; M251-I261 HydrophobicContact SD-CD1 3.63Å
252Q63.1Low67Low122 Ų12297.7 Ų97.757%0.5745%0.451SS*.Hα-helixtrans-68.5-24.7176.2-66.7178.8-10.900113.4E246 Y248E246-Q252 VanDerWaalsContact O-CG 3.24Å; E246-Q252 WeakPolarHBondContact O-CG 3.39Å; E246-Q252 PolarHBondContact O-NE2 3.02Å; Y248-Q252 PolarHBondContact O-N 2.87Å; Y248-Q252 VanDerWaalsContact O-N 3.13Å
253R63.5Low66.7Low223 Ų223100.3 Ų100.384%0.84247%0.468SS*.Hα-helixtrans-86.9-27.1-179-168.8174.8-176.2173.11.7113K249 F250 M251K249-R253 WeakPolarHBondContact O-CB 3.41Å; K249-R253 PolarHBondContact O-N 3.2Å; F250-R253 PolarHBondContact O-N 3.29Å; M251-R253 VanDerWaalsContact C-N 3.27Å; M251-R253 PolarHBondContact O-N 3.03Å
254I64.9Low66.4Low70 Ų70101.3 Ų101.336%0.35947%0.474SS..  trans-120.377.2-174.3-49.9-178.6000109.4F250 F256 L257F250-I254 HydrophobicContact CD2-CD1 4.15Å; F250-I254 HydrophobicContact CE2-CD1 3.54Å; F250-I254 HydrophobicContact CZ-CD1 3.91Å; F250-I254 PolarHBondContact O-N 3.04Å; I254-F256 VanDerWaalsContact C-N 3.26Å; I254-F256 PolarHBondContact O-N 3.4Å; I254-L257 HydrophobicContact CB-CB 4.47Å; I254-L257 HydrophobicContact CG2-CB 3.82Å; I254-L257 PolarHBondContact O-N 2.82Å
255T61.2Low65.8Low103 Ų10395 Ų9563%0.63245%0.453SS*.G310 helixtrans-66.2-25.8-178.645.90000113.4L257 H258T255-L257 PolarHBondContact O-N 3.2Å; T255-H258 VanDerWaalsContact CA-CD2 3.41Å; T255-H258 WeakPolarHBondContact CA-CD2 3.43Å; T255-H258 PolarHBondContact O-CD2 3.44Å; T255-H258 PolarHBondContact O-N 3.21Å
256F65Low65.2Low179 Ų17993.8 Ų93.879%0.78545%0.448SS*.G310 helixtrans-66.6-21.5176.2-173.8-104.9000113.5I254 P260I254-F256 VanDerWaalsContact C-N 3.26Å; I254-F256 PolarHBondContact O-N 3.4Å; F256-P260 WeakPolarHBondContact O-CD 3.44Å
257L66.4Low64.9Low57 Ų5791.1 Ų91.130%0.29844%0.443SS..G310 helixtrans-84.2-10.1-176.7-155.866.5000113.3F250 I254 T255 G259 P260 I261F250-L257 HydrophobicContact CE1-CD2 4.03Å; F250-L257 HydrophobicContact CZ-CD2 4.12Å; I254-L257 HydrophobicContact CB-CB 4.47Å; I254-L257 HydrophobicContact CG2-CB 3.82Å; I254-L257 PolarHBondContact O-N 2.82Å; T255-L257 PolarHBondContact O-N 3.2Å; L257-G259 PolarHBondContact O-N 3.24Å; L257-P260 HydrophobicContact CD1-CB 4.49Å; L257-P260 WeakPolarHBondContact O-CD 3.35Å; L257-I261 HydrophobicContact CB-CD1 4.26Å; L257-I261 HydrophobicContact CD2-CD1 3.68Å; L257-I261 HydrophobicContact CD2-CG1 4.46Å; L257-I261 HydrophobicContact CG-CD1 3.62Å; L257-I261 HydrophobicContact CG-CG1 4.05Å; L257-I261 WeakPolarHBondContact O-CB 3.12Å; L257-I261 WeakPolarHBondContact O-CG1 3.17Å; L257-I261 PolarHBondContact O-N 3.09Å; L257-I261 VanDerWaalsContact O-N 3.12Å
258H61.7Low64.6Low40 Ų4087 Ų8719%0.18543%0.431CS..Hα-helixtrans-58.2-47179.2-70.2-67.6000112.4M242 M251 T255 I261 Q262M242-H258 HydrophobicContact CE-CB 3.77Å; M242-H258 WeakPolarHBondContact CE-ND1 3.46Å; M251-H258 HydrophobicContact CE-CB 4.37Å; M251-H258 WeakPolarHBondContact CE-ND1 3.49Å; M251-H258 PolarHBondContact O-NE2 3.3Å; T255-H258 VanDerWaalsContact CA-CD2 3.41Å; T255-H258 WeakPolarHBondContact CA-CD2 3.43Å; T255-H258 PolarHBondContact O-CD2 3.44Å; T255-H258 PolarHBondContact O-N 3.21Å; H258-I261 PolarHBondContact O-N 3.45Å; H258-Q262 WeakPolarHBondContact O-CG 3.49Å; H258-Q262 PolarHBondContact O-N 3.3Å
259G58.4Low64.1Low35 Ų3581.6 Ų81.636%0.36141%0.411SS..Hα-helixtrans-61.5-55.9179.300000113.3L257 I261 Q262 V263L257-G259 PolarHBondContact O-N 3.24Å; G259-I261 VanDerWaalsContact C-N 3.29Å; G259-I261 PolarHBondContact O-N 3.19Å; G259-Q262 PolarHBondContact O-N 2.91Å; G259-Q262 VanDerWaalsContact O-N 3.16Å; G259-V263 WeakPolarHBondContact O-CG2 3.36Å; G259-V263 PolarHBondContact O-N 2.89Å
260P62.3Low63.9Low61 Ų6175.3 Ų75.340%0.39639%0.386SS..Hα-helixtrans-55.7-39.4177.1-28.835.4000114.2F256 L257 V263 M264F256-P260 WeakPolarHBondContact O-CD 3.44Å; L257-P260 HydrophobicContact CD1-CB 4.49Å; L257-P260 WeakPolarHBondContact O-CD 3.35Å; P260-V263 PolarHBondContact O-N 3.44Å; P260-M264 PolarHBondContact O-N 2.77Å
261I63.7Low63.7Low38 Ų3873.1 Ų73.120%0.19538%0.379CS..Hα-helixtrans-67-42.3178.1-73.9169000111.2L245 M251 L257 H258 G259 M264 L265L245-I261 HydrophobicContact CD2-CG2 3.78Å; M251-I261 HydrophobicContact CE-CB 4.19Å; M251-I261 HydrophobicContact CE-CD1 3.45Å; M251-I261 VanDerWaalsContact CE-CD1 3.45Å; M251-I261 HydrophobicContact CE-CG1 4.38Å; M251-I261 HydrophobicContact CE-CG2 4.23Å; M251-I261 HydrophobicContact SD-CD1 3.63Å; L257-I261 HydrophobicContact CB-CD1 4.26Å; L257-I261 HydrophobicContact CD2-CD1 3.68Å; L257-I261 HydrophobicContact CD2-CG1 4.46Å; L257-I261 HydrophobicContact CG-CD1 3.62Å; L257-I261 HydrophobicContact CG-CG1 4.05Å; L257-I261 WeakPolarHBondContact O-CB 3.12Å; L257-I261 WeakPolarHBondContact O-CG1 3.17Å; L257-I261 PolarHBondContact O-N 3.09Å; L257-I261 VanDerWaalsContact O-N 3.12Å; H258-I261 PolarHBondContact O-N 3.45Å; G259-I261 VanDerWaalsContact C-N 3.29Å; G259-I261 PolarHBondContact O-N 3.19Å; I261-M264 PolarHBondContact O-N 3.04Å; I261-L265 HydrophobicContact CG2-CD1 3.83Å; I261-L265 HydrophobicContact CG2-CG 4.36Å; I261-L265 WeakPolarHBondContact O-CB 3.19Å; I261-L265 VanDerWaalsContact O-CG 3.29Å; I261-L265 WeakPolarHBondContact O-CG 3.38Å; I261-L265 PolarHBondContact O-N 3.44Å
262Q61.6Low64.2Low55 Ų5578.7 Ų78.726%0.25740%0.403SS..Hα-helixtrans-61.1-46.1174.9-74.2176.8-500111.4M242 H258 G259 M264 L265 V266M242-Q262 HydrophobicContact CE-CG 4.23Å; M242-Q262 HydrophobicContact SD-CG 3.94Å; H258-Q262 WeakPolarHBondContact O-CG 3.49Å; H258-Q262 PolarHBondContact O-N 3.3Å; G259-Q262 PolarHBondContact O-N 2.91Å; G259-Q262 VanDerWaalsContact O-N 3.16Å; Q262-M264 PolarHBondContact O-N 2.76Å; Q262-L265 PolarHBondContact O-N 3.09Å; Q262-V266 VanDerWaalsContact O-CG2 3.29Å; Q262-V266 WeakPolarHBondContact O-CG2 3.38Å; Q262-V266 PolarHBondContact O-N 2.65Å
263V58.6Low64.8Low63 Ų6374.8 Ų74.838%0.38239%0.385SS..Hα-helixtrans-61.1-43.9177.5174.70000111.3C98 G259 P260 G267C98-V263 HydrophobicContact CB-CG2 4.42Å; G259-V263 WeakPolarHBondContact O-CG2 3.36Å; G259-V263 PolarHBondContact O-N 2.89Å; P260-V263 PolarHBondContact O-N 3.44Å; V263-G267 PolarHBondContact O-N 3.26Å
264M63.8Low65.1Low137 Ų13766.4 Ų66.468%0.67536%0.359SS*.Hα-helixtrans-62.4-45.8176.1-83.2-135.37800112.4P260 I261 Q262 G267 V268P260-M264 PolarHBondContact O-N 2.77Å; I261-M264 PolarHBondContact O-N 3.04Å; Q262-M264 PolarHBondContact O-N 2.76Å; M264-G267 WeakPolarHBondContact O-CA 3.17Å; M264-G267 PolarHBondContact O-N 3.35Å; M264-V268 WeakPolarHBondContact O-CG2 3.26Å; M264-V268 PolarHBondContact O-N 3.45Å
265L64.1Low65.5Low45 Ų4563 Ų6324%0.23634%0.342CS..Hα-helixtrans-64.3-42.3179.9-73.8170.5000111.7L238 I241 I261 Q262 G267 V268 F269L238-L265 HydrophobicContact CD1-CB 3.27Å; L238-L265 HydrophobicContact CD1-CD1 3.7Å; L238-L265 HydrophobicContact CD1-CG 4.12Å; I241-L265 HydrophobicContact CG2-CD1 4.12Å; I261-L265 HydrophobicContact CG2-CD1 3.83Å; I261-L265 HydrophobicContact CG2-CG 4.36Å; I261-L265 WeakPolarHBondContact O-CB 3.19Å; I261-L265 VanDerWaalsContact O-CG 3.29Å; I261-L265 WeakPolarHBondContact O-CG 3.38Å; I261-L265 PolarHBondContact O-N 3.44Å; Q262-L265 PolarHBondContact O-N 3.09Å; L265-G267 VanDerWaalsContact C-N 3.31Å; L265-G267 PolarHBondContact O-N 2.77Å; L265-V268 PolarHBondContact O-N 3.35Å; L265-F269 WeakPolarHBondContact O-CD2 3.06Å; L265-F269 PolarHBondContact O-N 3.34Å
266V62.3Low66.3Low31 Ų3159.3 Ų59.319%0.18832%0.322CS..Hα-helixtrans-59.5-44.5171.8172.70000110.4L238 Q262 V268 F269 L270L238-V266 HydrophobicContact CD2-CG2 3.44Å; L238-V266 VanDerWaalsContact CD2-CG2 3.44Å; Q262-V266 VanDerWaalsContact O-CG2 3.29Å; Q262-V266 WeakPolarHBondContact O-CG2 3.38Å; Q262-V266 PolarHBondContact O-N 2.65Å; V266-V268 VanDerWaalsContact C-N 3.32Å; V266-V268 PolarHBondContact O-N 3.01Å; V266-F269 PolarHBondContact O-N 2.78Å; V266-F269 VanDerWaalsContact O-N 3.15Å; V266-L270 HydrophobicContact CG1-CD1 3.89Å; V266-L270 HydrophobicContact CG1-CG 4.21Å; V266-L270 WeakPolarHBondContact O-CG 3.35Å; V266-L270 PolarHBondContact O-N 3.3Å
267G62Low66.7Low28 Ų2851 Ų5129%0.28929%0.285SS..Hα-helixtrans-56.1-45175.400000112.6V263 M264 L265 L270 I271V263-G267 PolarHBondContact O-N 3.26Å; M264-G267 WeakPolarHBondContact O-CA 3.17Å; M264-G267 PolarHBondContact O-N 3.35Å; L265-G267 VanDerWaalsContact C-N 3.31Å; L265-G267 PolarHBondContact O-N 2.77Å; G267-L270 PolarHBondContact O-N 3.49Å; G267-I271 VanDerWaalsContact O-CG1 3.31Å; G267-I271 WeakPolarHBondContact O-CG1 3.19Å; G267-I271 PolarHBondContact O-N 3.38Å
268V68.7Low67.1Low70 Ų7049.6 Ų49.642%0.42428%0.28SS..Hα-helixtrans-61.6-45.5175.4174.30000111.2M264 L265 V266 L270 I271 F272M264-V268 WeakPolarHBondContact O-CG2 3.26Å; M264-V268 PolarHBondContact O-N 3.45Å; L265-V268 PolarHBondContact O-N 3.35Å; V266-V268 VanDerWaalsContact C-N 3.32Å; V266-V268 PolarHBondContact O-N 3.01Å; V268-L270 VanDerWaalsContact C-N 3.33Å; V268-L270 PolarHBondContact O-N 3.41Å; V268-I271 PolarHBondContact O-N 2.77Å; V268-F272 HydrophobicContact CG1-CD2 4.34Å; V268-F272 HydrophobicContact CG1-CE2 4.05Å; V268-F272 VanDerWaalsContact O-CD2 3.23Å; V268-F272 WeakPolarHBondContact O-CD2 3.45Å
269F68.3Low68.1Low45 Ų4547.7 Ų47.720%0.19727%0.272CS..Hα-helixtrans-59.7-43.8176-76.7-63000112P233 I237 L238 I241 L265 V266 I271 F272 M273P233-F269 HydrophobicContact CB-CD1 4.46Å; I237-F269 HydrophobicContact CB-CE1 4.5Å; I237-F269 HydrophobicContact CB-CZ 4.1Å; I237-F269 HydrophobicContact CD1-CE1 4.44Å; I237-F269 HydrophobicContact CG2-CE1 4.37Å; I237-F269 HydrophobicContact CG2-CZ 3.82Å; L238-F269 HydrophobicContact CB-CE2 4.47Å; L238-F269 HydrophobicContact CD1-CE2 4.23Å; I241-F269 HydrophobicContact CD1-CE2 4.24Å; I241-F269 HydrophobicContact CD1-CZ 3.83Å; L265-F269 WeakPolarHBondContact O-CD2 3.06Å; L265-F269 PolarHBondContact O-N 3.34Å; V266-F269 PolarHBondContact O-N 2.78Å; V266-F269 VanDerWaalsContact O-N 3.15Å; F269-I271 VanDerWaalsContact C-N 3.35Å; F269-I271 PolarHBondContact O-N 3.44Å; F269-F272 PolarHBondContact O-N 2.93Å; F269-M273 WeakPolarHBondContact O-CB 3.36Å; F269-M273 VanDerWaalsContact O-CG 3.3Å; F269-M273 WeakPolarHBondContact O-CG 3.37Å; F269-M273 PolarHBondContact O-N 3.31Å
270L66.1Low69.2Low47 Ų4749.1 Ų49.125%0.24627%0.27CS..Hα-helixtrans-64.5-36.5179.9-69.9175000112.4L131 M230 V266 G267 V268 F272 M273 V274L131-L270 HydrophobicContact CD2-CD1 4.27Å; M230-L270 HydrophobicContact CG-CD2 4.29Å; V266-L270 HydrophobicContact CG1-CD1 3.89Å; V266-L270 HydrophobicContact CG1-CG 4.21Å; V266-L270 WeakPolarHBondContact O-CG 3.35Å; V266-L270 PolarHBondContact O-N 3.3Å; G267-L270 PolarHBondContact O-N 3.49Å; V268-L270 VanDerWaalsContact C-N 3.33Å; V268-L270 PolarHBondContact O-N 3.41Å; L270-F272 PolarHBondContact O-N 3.09Å; L270-M273 PolarHBondContact O-N 3.16Å; L270-V274 HydrophobicContact CB-CG2 4.3Å; L270-V274 HydrophobicContact CD2-CG2 4.43Å; L270-V274 VanDerWaalsContact O-CB 3.23Å; L270-V274 WeakPolarHBondContact O-CB 3.36Å; L270-V274 WeakPolarHBondContact O-CG2 3.38Å; L270-V274 PolarHBondContact O-N 3.37Å
271I67Low70.3Confident82 Ų8248.4 Ų48.442%0.42126%0.261SS..Hα-helixtrans-56.4-39.3176.3-71.2165.4000111.5G267 V268 F269 P275G267-I271 VanDerWaalsContact O-CG1 3.31Å; G267-I271 WeakPolarHBondContact O-CG1 3.19Å; G267-I271 PolarHBondContact O-N 3.38Å; V268-I271 PolarHBondContact O-N 2.77Å; F269-I271 VanDerWaalsContact C-N 3.35Å; F269-I271 PolarHBondContact O-N 3.44Å; I271-P275 WeakPolarHBondContact O-CD 3.29Å; I271-P275 WeakPolarHBondContact O-CG 3.46Å
272F76.1Confident71Confident122 Ų12248.5 Ų48.554%0.53526%0.264SS..Hα-helixtrans-88.4-36.5178.9-65.4-75000113F28 V268 F269 L270 P275 A276F28-F272 AromaticContact CE1-CD1 3.88Å; F28-F272 HydrophobicContact CE1-CD1 3.88Å; F28-F272 AromaticContact CZ-CD1 3.94Å; F28-F272 HydrophobicContact CZ-CD1 3.94Å; V268-F272 HydrophobicContact CG1-CD2 4.34Å; V268-F272 HydrophobicContact CG1-CE2 4.05Å; V268-F272 VanDerWaalsContact O-CD2 3.23Å; V268-F272 WeakPolarHBondContact O-CD2 3.45Å; F269-F272 PolarHBondContact O-N 2.93Å; L270-F272 PolarHBondContact O-N 3.09Å; F272-P275 WeakPolarHBondContact O-CD 3.49Å; F272-A276 WeakPolarHBondContact O-CB 3.27Å; F272-A276 PolarHBondContact O-N 3.31Å
273M74.3Confident71.5Confident39 Ų3948.4 Ų48.419%0.19226%0.264CS..Hα-helixtrans-80.9-29.4-173.3-72.6-55.2-55.700113.9M230 P233 F269 L270 A276 A277M230-M273 HydrophobicContact CG-CB 4.2Å; P233-M273 HydrophobicContact CB-CG 4.33Å; P233-M273 HydrophobicContact CG-CE 3.65Å; P233-M273 HydrophobicContact CG-CG 3.9Å; P233-M273 HydrophobicContact CG-SD 3.71Å; F269-M273 WeakPolarHBondContact O-CB 3.36Å; F269-M273 VanDerWaalsContact O-CG 3.3Å; F269-M273 WeakPolarHBondContact O-CG 3.37Å; F269-M273 PolarHBondContact O-N 3.31Å; L270-M273 PolarHBondContact O-N 3.16Å; M273-A276 HydrophobicContact CE-CB 4.48Å; M273-A276 PolarHBondContact O-N 2.99Å; M273-A276 HydrophobicContact SD-CB 4.43Å; M273-A277 WeakPolarHBondContact O-CB 3.31Å; M273-A277 PolarHBondContact O-N 3.5Å
274V69.9Low72.6Confident47 Ų4751.5 Ų51.529%0.28527%0.269SS..Hα-helixtrans-60-53175169.70000110.5T31 M230 L270 A276 A277 C278T31-V274 HydrophobicContact CG2-CG1 4.41Å; M230-V274 HydrophobicContact CG-CG2 4.29Å; M230-V274 HydrophobicContact SD-CB 4.13Å; M230-V274 HydrophobicContact SD-CG2 3.44Å; M230-V274 WeakPolarHBondContact SD-CG2 3.39Å; L270-V274 HydrophobicContact CB-CG2 4.3Å; L270-V274 HydrophobicContact CD2-CG2 4.43Å; L270-V274 VanDerWaalsContact O-CB 3.23Å; L270-V274 WeakPolarHBondContact O-CB 3.36Å; L270-V274 WeakPolarHBondContact O-CG2 3.38Å; L270-V274 PolarHBondContact O-N 3.37Å; V274-A276 VanDerWaalsContact C-N 3.34Å; V274-A276 PolarHBondContact O-N 3.34Å; V274-A277 PolarHBondContact O-N 2.91Å; V274-C278 WeakPolarHBondContact O-CB 3.4Å; V274-C278 PolarHBondContact O-N 3.4Å; V274-C278 PolarHBondContact O-SG 3.33Å
275P73.8Confident73.5Confident0 Ų045.1 Ų45.10%024%0.238CC..Hα-helixtrans-59.2-42.8174.4-21.528.9000113.3L24 F27 F28 T31 I271 F272 C278 S279L24-P275 HydrophobicContact CD1-CB 4.35Å; F27-P275 HydrophobicContact CB-CB 3.96Å; F28-P275 HydrophobicContact CD1-CB 4.02Å; F28-P275 HydrophobicContact CD1-CG 3.7Å; F28-P275 HydrophobicContact CD2-CB 3.81Å; F28-P275 HydrophobicContact CD2-CG 4.4Å; F28-P275 HydrophobicContact CE1-CB 4.1Å; F28-P275 HydrophobicContact CE1-CG 3.71Å; F28-P275 HydrophobicContact CE2-CB 3.91Å; F28-P275 HydrophobicContact CE2-CG 4.42Å; F28-P275 HydrophobicContact CG-CB 3.86Å; F28-P275 HydrophobicContact CG-CG 4.04Å; F28-P275 HydrophobicContact CZ-CB 4.03Å; F28-P275 HydrophobicContact CZ-CG 4.08Å; T31-P275 WeakPolarHBondContact OG1-CG 3.38Å; I271-P275 WeakPolarHBondContact O-CD 3.29Å; I271-P275 WeakPolarHBondContact O-CG 3.46Å; F272-P275 WeakPolarHBondContact O-CD 3.49Å; P275-C278 PolarHBondContact O-N 3.3Å; P275-S279 VanDerWaalsContact O-CB 3.29Å; P275-S279 WeakPolarHBondContact O-CB 3.03Å; P275-S279 PolarHBondContact O-N 2.97Å; P275-S279 PolarHBondContact O-OG 3.12Å
276A77.6Confident74.4Confident25 Ų2545.5 Ų45.521%0.20724%0.244CC..Hα-helixtrans-62.9-47-17900000111.7L24 F272 M273 V274 S279 L280L24-A276 HydrophobicContact CD1-CB 4.14Å; F272-A276 WeakPolarHBondContact O-CB 3.27Å; F272-A276 PolarHBondContact O-N 3.31Å; M273-A276 HydrophobicContact CE-CB 4.48Å; M273-A276 PolarHBondContact O-N 2.99Å; M273-A276 HydrophobicContact SD-CB 4.43Å; V274-A276 VanDerWaalsContact C-N 3.34Å; V274-A276 PolarHBondContact O-N 3.34Å; A276-S279 PolarHBondContact O-N 3.04Å; A276-S279 PolarHBondContact O-OG 2.87Å; A276-L280 PolarHBondContact O-N 3.47Å
277A73.9Confident75.4Confident3 Ų344.6 Ų44.63%0.02524%0.238CC..Hα-helixtrans-64.6-44177.800000112S226 M230 M273 V274 S279 L280S226-A277 WeakPolarHBondContact O-CB 3.44Å; M230-A277 HydrophobicContact CB-CB 3.7Å; M230-A277 HydrophobicContact CG-CB 4.17Å; M273-A277 WeakPolarHBondContact O-CB 3.31Å; M273-A277 PolarHBondContact O-N 3.5Å; V274-A277 PolarHBondContact O-N 2.91Å; A277-S279 PolarHBondContact O-N 2.89Å; A277-L280 VanDerWaalsContact O-CB 3.22Å; A277-L280 WeakPolarHBondContact O-CB 3.49Å; A277-L280 PolarHBondContact O-N 3.1Å
278C75.1Confident76.4Confident29 Ų2944.8 Ų44.820%0.19624%0.237CC..Hα-helixtrans-62.3-33.7175.6-69.70000112.2F27 V274 P275 L280F27-C278 HydrophobicContact CD1-CB 3.78Å; F27-C278 HydrophobicContact CD2-CB 3.76Å; F27-C278 HydrophobicContact CE1-CB 3.77Å; F27-C278 VanDerWaalsContact CE2-C 3.42Å; F27-C278 HydrophobicContact CE2-CB 3.75Å; F27-C278 VanDerWaalsContact CE2-O 3.24Å; F27-C278 WeakPolarHBondContact CE2-O 2.9Å; F27-C278 HydrophobicContact CG-CB 3.77Å; F27-C278 HydrophobicContact CZ-CB 3.72Å; V274-C278 WeakPolarHBondContact O-CB 3.4Å; V274-C278 PolarHBondContact O-N 3.4Å; V274-C278 PolarHBondContact O-SG 3.33Å; P275-C278 PolarHBondContact O-N 3.3Å; C278-L280 VanDerWaalsContact C-N 3.32Å; C278-L280 PolarHBondContact O-N 2.93Å
279S81.8Confident77Confident0 Ų042 Ų420%022%0.22CC..Hα-helixtrans-77.5-11.8178.374.30000114.9F20 R23 P275 A276 A277 F281F20-S279 WeakPolarHBondContact CD2-O 3.48Å; F20-S279 WeakPolarHBondContact CE2-OG 3.48Å; F20-S279 WeakPolarHBondContact CZ-OG 3.49Å; R23-S279 PolarHBondContact NE-O 2.9Å; R23-S279 PolarHBondContact NH2-O 3.44Å; P275-S279 VanDerWaalsContact O-CB 3.29Å; P275-S279 WeakPolarHBondContact O-CB 3.03Å; P275-S279 PolarHBondContact O-N 2.97Å; P275-S279 PolarHBondContact O-OG 3.12Å; A276-S279 PolarHBondContact O-N 3.04Å; A276-S279 PolarHBondContact O-OG 2.87Å; A277-S279 PolarHBondContact O-N 2.89Å; S279-F281 VanDerWaalsContact C-N 3.34Å; S279-F281 PolarHBondContact O-N 3.27Å
280L83Confident77.5Confident64 Ų6444 Ų4434%0.33524%0.24SC..Hα-helixtrans-60-43.2-176.5-170.367.2000112I225 T229 A276 A277 C278I225-L280 HydrophobicContact CG2-CD2 4.43Å; T229-L280 HydrophobicContact CG2-CD2 4.45Å; A276-L280 PolarHBondContact O-N 3.47Å; A277-L280 VanDerWaalsContact O-CB 3.22Å; A277-L280 WeakPolarHBondContact O-CB 3.49Å; A277-L280 PolarHBondContact O-N 3.1Å; C278-L280 VanDerWaalsContact C-N 3.32Å; C278-L280 PolarHBondContact O-N 2.93Å
281F83.9Confident78.2Confident47 Ų4748.6 Ų48.621%0.20626%0.258CS..SBendtrans-120.1141.1176.2-57.7-74.7000110.9Q222 I225 S226 S279 K315Q222-F281 HydrophobicContact CB-CB 4.43Å; Q222-F281 HydrophobicContact CB-CD2 3.85Å; Q222-F281 HydrophobicContact CB-CE2 4.19Å; Q222-F281 HydrophobicContact CB-CG 4.02Å; Q222-F281 HydrophobicContact CG-CD1 4.11Å; Q222-F281 HydrophobicContact CG-CD2 4.28Å; Q222-F281 HydrophobicContact CG-CE1 4.31Å; Q222-F281 HydrophobicContact CG-CE2 4.47Å; Q222-F281 HydrophobicContact CG-CG 4.09Å; Q222-F281 HydrophobicContact CG-CZ 4.49Å; Q222-F281 WeakPolarHBondContact O-CD2 3.31Å; Q222-F281 WeakPolarHBondContact O-CE2 3.37Å; I225-F281 HydrophobicContact CB-CE2 4.05Å; I225-F281 HydrophobicContact CB-CZ 4.41Å; I225-F281 HydrophobicContact CG2-CE2 3.87Å; I225-F281 HydrophobicContact CG2-CZ 4Å; S226-F281 WeakPolarHBondContact OG-CD2 3.03Å; S279-F281 VanDerWaalsContact C-N 3.34Å; S279-F281 PolarHBondContact O-N 3.27Å; F281-K315 HydrophobicContact CB-CD 4.15Å; F281-K315 PolarHBondContact O-NZ 3.12Å
282P79.1Confident78.9Confident39 Ų3944.9 Ų44.925%0.25324%0.238SC..  trans-61.1149.9178.227.6-34.2000111.7C285P282-C285 PolarHBondContact O-SG 3.3Å
283Q73.3Confident79.3Confident54 Ų5441 Ų4125%0.25222%0.222SC..SBendtrans-69.2-38.4174.9-66.8-175.88.300111.2F27 N314 K315F27-Q283 VanDerWaalsContact CE1-NE2 3.33Å; F27-Q283 HydrophobicContact CZ-CG 3.93Å; Q283-N314 WeakPolarHBondContact O-CA 3.03Å; Q283-N314 PolarHBondContact O-OD1 3.33Å; Q283-K315 PolarHBondContact O-N 3.1Å
284R81.2Confident79.6Confident127 Ų12742.6 Ų42.648%0.47924%0.235SC..EExtended strand (participates in β ladder)trans-95.9104.3171.3-169.5176.5180-179.4-3.3108.7D203 E204 Y312D203-R284 PolarHBondContact O-NH2 3.17Å; D203-R284 VanDerWaalsContact O-NH2 3.09Å; E204-R284 PolarHBondContact O-NH2 2.93Å; R284-Y312 HydrophobicContact CG-CD1 4.14Å
285C81.8Confident80.2Confident4 Ų448.5 Ų48.53%0.02726%0.26CS..EExtended strand (participates in β ladder)trans-96.1143.5179.3-78.50000110.4Q222 P282 Y312 F313Q222-C285 PolarHBondContact OE1-SG 2.92Å; P282-C285 PolarHBondContact O-SG 3.3Å; C285-Y312 CarbonylContact O-C 3.31Å; C285-Y312 VanDerWaalsContact O-CA 3.32Å; C285-Y312 WeakPolarHBondContact O-CA 3.37Å; C285-F313 HydrophobicContact CB-CD1 4.3Å; C285-F313 HydrophobicContact CB-CD2 4.23Å; C285-F313 HydrophobicContact CB-CE1 3.69Å; C285-F313 HydrophobicContact CB-CE2 3.65Å; C285-F313 HydrophobicContact CB-CZ 3.35Å; C285-F313 PolarHBondContact N-O 3.22Å; C285-F313 WeakPolarHBondContact O-CD1 3.29Å; C285-F313 PolarHBondContact O-N 3.42Å
286S84.1Confident80.5Confident53 Ų5349.5 Ų49.537%0.37127%0.265SS..EExtended strand (participates in β ladder)trans-98.5151.6171.261.30000112.1K218 V311K218-S286 PolarHBondContact NZ-O 3.24Å; S286-V311 CarbonylContact C-O 3.54Å; S286-V311 WeakPolarHBondContact CA-O 3.49Å
287M83.5Confident80.7Confident12 Ų1252.9 Ų52.96%0.05927%0.272CS..EExtended strand (participates in β ladder)trans-141.5140.3173-178.3178.7-67.200108.9A215 K218 K291 L292 V311 F313A215-M287 HydrophobicContact CB-CE 4.44Å; K218-M287 HydrophobicContact CB-CE 3.73Å; K218-M287 HydrophobicContact CD-CE 3.37Å; K218-M287 HydrophobicContact CG-CE 4.17Å; M287-K291 HydrophobicContact CG-CB 3.98Å; M287-K291 HydrophobicContact SD-CB 4.16Å; M287-L292 HydrophobicContact SD-CD2 3.9Å; M287-V311 HydrophobicContact CB-CG2 4.14Å; M287-V311 PolarHBondContact N-O 3.27Å; M287-V311 VanDerWaalsContact O-CG2 3.3Å; M287-V311 WeakPolarHBondContact O-CG2 3.32Å; M287-V311 PolarHBondContact O-N 3.17Å; M287-F313 HydrophobicContact CB-CD1 4.44Å; M287-F313 HydrophobicContact CB-CE1 3.97Å; M287-F313 HydrophobicContact CE-CE1 4.22Å
288A82.3Confident81Confident31 Ų3157 Ų5726%0.25629%0.294SS..EExtended strand (participates in β ladder)trans-68.3140.1173.200000110.4S290 K291 Q309A288-S290 PolarHBondContact O-N 3.4Å; A288-S290 VanDerWaalsContact O-N 3.16Å; A288-K291 PolarHBondContact O-N 2.83Å; A288-Q309 WeakPolarHBondContact CA-O 3.25Å
289V80.3Confident81.2Confident12 Ų1257.8 Ų57.87%0.07330%0.3CS..G310 helixtrans-57-30.7177.5168.10000111.8K291 L292 R297 V308 Q309 V311V289-K291 PolarHBondContact O-N 2.78Å; V289-L292 HydrophobicContact CB-CD1 4.37Å; V289-L292 HydrophobicContact CG1-CD1 4.41Å; V289-L292 HydrophobicContact CG2-CD1 4.19Å; V289-L292 WeakPolarHBondContact O-CB 3.42Å; V289-L292 PolarHBondContact O-N 2.94Å; V289-L292 VanDerWaalsContact O-N 3.12Å; V289-R297 HydrophobicContact CG1-CB 4.49Å; V289-R297 HydrophobicContact CG1-CG 3.74Å; V289-V308 HydrophobicContact CG2-CG1 4.19Å; V289-V308 VanDerWaalsContact CG2-O 3.26Å; V289-V308 WeakPolarHBondContact CG2-O 3.33Å; V289-Q309 PolarHBondContact N-O 2.92Å; V289-V311 HydrophobicContact CG2-CG1 3.56Å
290S78.9Confident81.1Confident88 Ų8857.9 Ų57.962%0.61530%0.3SS*.G310 helixtrans-61-24.7174.359.70000114.7A288A288-S290 PolarHBondContact O-N 3.4Å; A288-S290 VanDerWaalsContact O-N 3.16Å
291K80.8Confident81Confident143 Ų14357.6 Ų57.662%0.62230%0.301SS*.G310 helixtrans-91.1-5.7179.3-65.3-172.8178.6-176.90113.1K214 M287 A288 V289K214-K291 WeakPolarHBondContact CD-O 3.31Å; K214-K291 PolarHBondContact NZ-O 2.94Å; M287-K291 HydrophobicContact CG-CB 3.98Å; M287-K291 HydrophobicContact SD-CB 4.16Å; A288-K291 PolarHBondContact O-N 2.83Å; V289-K291 PolarHBondContact O-N 2.78Å
292L81.6Confident80.6Confident3 Ų359.9 Ų59.92%0.01632%0.323CS..SBendtrans-71.3175177.6-67172.3000112.1K214 M287 V289 L296 I300 V311K214-L292 PolarHBondContact NZ-O 2.86Å; M287-L292 HydrophobicContact SD-CD2 3.9Å; V289-L292 HydrophobicContact CB-CD1 4.37Å; V289-L292 HydrophobicContact CG1-CD1 4.41Å; V289-L292 HydrophobicContact CG2-CD1 4.19Å; V289-L292 WeakPolarHBondContact O-CB 3.42Å; V289-L292 PolarHBondContact O-N 2.94Å; V289-L292 VanDerWaalsContact O-N 3.12Å; L292-L296 HydrophobicContact CD1-CD2 4.29Å; L292-L296 HydrophobicContact CD2-CD2 4.34Å; L292-I300 HydrophobicContact CD1-CD1 3.79Å; L292-V311 HydrophobicContact CD1-CG1 4.08Å; L292-V311 HydrophobicContact CD1-CG2 3.84Å; L292-V311 HydrophobicContact CD2-CG2 4.06Å; L292-V311 HydrophobicContact CG-CG2 4.24Å
293E84.3Confident80.4Confident41 Ų4164.3 Ų64.319%0.19234%0.34CS..  trans-64.5141.7169.4-73.6142.1140.600110S212 K213 K214 E295 L296 R297S212-E293 VanDerWaalsContact CA-OE2 3.28Å; S212-E293 WeakPolarHBondContact CA-OE2 3.5Å; S212-E293 WeakPolarHBondContact CB-OE2 3.5Å; S212-E293 PolarHBondContact OG-OE2 3.29Å; K213-E293 VanDerWaalsContact CB-OE1 3.25Å; K213-E293 WeakPolarHBondContact CB-OE1 3.41Å; K213-E293 WeakPolarHBondContact CG-OE1 2.85Å; K213-E293 PolarHBondContact N-OE1 2.85Å; K213-E293 PolarHBondContact N-OE2 3.37Å; K213-E293 VanDerWaalsContact N-OE2 3.11Å; K214-E293 HydrophobicContact CD-CG 4.24Å; K214-E293 HydrophobicContact CG-CG 4.15Å; E293-E295 VanDerWaalsContact C-N 3.28Å; E293-E295 PolarHBondContact O-N 3.38Å; E293-L296 HydrophobicContact CB-CB 4.49Å; E293-L296 PolarHBondContact O-N 2.79Å; E293-R297 WeakPolarHBondContact O-CB 3.12Å; E293-R297 PolarHBondContact O-N 2.9Å
294P81.9Confident80.3Confident72 Ų7265.9 Ų65.947%0.46834%0.344SS..Hα-helixtrans-57.5-41.7-177.221.4-30.9000111.9L296 R297 D298P294-L296 PolarHBondContact O-N 3.39Å; P294-R297 WeakPolarHBondContact O-CB 3.27Å; P294-R297 PolarHBondContact O-N 3.01Å; P294-D298 WeakPolarHBondContact O-CB 3.49Å; P294-D298 PolarHBondContact O-N 3Å
295E81.6Confident79.8Confident171 Ų17161.2 Ų61.280%0.79934%0.336SS*.Hα-helixtrans-58.6-46.5177.4-63.3175.2-17500112.9E293 S299E293-E295 VanDerWaalsContact C-N 3.28Å; E293-E295 PolarHBondContact O-N 3.38Å; E295-S299 WeakPolarHBondContact O-CB 3.23Å; E295-S299 PolarHBondContact O-N 3.35Å; E295-S299 VanDerWaalsContact O-N 3.12Å
296L80.2Confident79.1Confident22 Ų2267.5 Ų67.512%0.11537%0.369CS..Hα-helixtrans-71.7-38.9179-176.565.6000111.3L292 E293 P294 S299 I300L292-L296 HydrophobicContact CD1-CD2 4.29Å; L292-L296 HydrophobicContact CD2-CD2 4.34Å; E293-L296 HydrophobicContact CB-CB 4.49Å; E293-L296 PolarHBondContact O-N 2.79Å; P294-L296 PolarHBondContact O-N 3.39Å; L296-S299 PolarHBondContact O-N 3.41Å; L296-I300 HydrophobicContact CD1-CD1 4.31Å; L296-I300 HydrophobicContact CD1-CG1 4.5Å; L296-I300 HydrophobicContact CD2-CD1 4.47Å; L296-I300 HydrophobicContact CG-CD1 3.9Å; L296-I300 HydrophobicContact CG-CG1 4.48Å; L296-I300 VanDerWaalsContact O-CG1 3.23Å; L296-I300 WeakPolarHBondContact O-CG1 3.28Å; L296-I300 PolarHBondContact O-N 3.47Å
297R82.2Confident78.3Confident96 Ų9674.1 Ų74.136%0.36239%0.392SS..Hα-helixtrans-59.1-49176.4-177-174.171.1-176.63110.6V289 E293 P294 S299 I300 V301V289-R297 HydrophobicContact CG1-CB 4.49Å; V289-R297 HydrophobicContact CG1-CG 3.74Å; E293-R297 WeakPolarHBondContact O-CB 3.12Å; E293-R297 PolarHBondContact O-N 2.9Å; P294-R297 WeakPolarHBondContact O-CB 3.27Å; P294-R297 PolarHBondContact O-N 3.01Å; R297-S299 VanDerWaalsContact C-N 3.29Å; R297-S299 PolarHBondContact O-N 3.38Å; R297-I300 PolarHBondContact O-N 2.95Å; R297-V301 HydrophobicContact CG-CG2 4.37Å; R297-V301 WeakPolarHBondContact O-CB 3.36Å; R297-V301 VanDerWaalsContact O-CG2 3.27Å; R297-V301 WeakPolarHBondContact O-CG2 3.1Å; R297-V301 PolarHBondContact O-N 3.36Å
298D80.3Confident77.6Confident88 Ų8874.3 Ų74.347%0.47139%0.393SS..Hα-helixtrans-69.9-31.4-176-59-13.2000110.6P294 S302P294-D298 WeakPolarHBondContact O-CB 3.49Å; P294-D298 PolarHBondContact O-N 3Å; D298-S302 VanDerWaalsContact O-CB 3.29Å; D298-S302 WeakPolarHBondContact O-CB 3.27Å; D298-S302 PolarHBondContact O-N 3.19Å; D298-S302 PolarHBondContact O-OG 3.44Å
299S79.8Confident77.3Confident47 Ų4780 Ų8033%0.32941%0.414SS..Hα-helixtrans-65.9-41.6169.4-176.10000113.2E295 L296 R297 S302 Q303E295-S299 WeakPolarHBondContact O-CB 3.23Å; E295-S299 PolarHBondContact O-N 3.35Å; E295-S299 VanDerWaalsContact O-N 3.12Å; L296-S299 PolarHBondContact O-N 3.41Å; R297-S299 VanDerWaalsContact C-N 3.29Å; R297-S299 PolarHBondContact O-N 3.38Å; S299-S302 WeakPolarHBondContact CA-OG 3.3Å; S299-S302 PolarHBondContact O-OG 3.38Å; S299-Q303 WeakPolarHBondContact O-CB 3.38Å; S299-Q303 PolarHBondContact O-N 3.11Å; S299-Q303 VanDerWaalsContact O-N 3.1Å
300I79.6Confident77.4Confident2 Ų282.8 Ų82.81%0.0143%0.428CS..Hα-helixtrans-67.8-44.6177.1-68167.3000110.5L209 L292 L296 R297 S302 Q303 Y304 V308 V311L209-I300 HydrophobicContact CB-CD1 4.15Å; L209-I300 HydrophobicContact CB-CG1 4.25Å; L209-I300 HydrophobicContact CD1-CD1 4.26Å; L292-I300 HydrophobicContact CD1-CD1 3.79Å; L296-I300 HydrophobicContact CD1-CD1 4.31Å; L296-I300 HydrophobicContact CD1-CG1 4.5Å; L296-I300 HydrophobicContact CD2-CD1 4.47Å; L296-I300 HydrophobicContact CG-CD1 3.9Å; L296-I300 HydrophobicContact CG-CG1 4.48Å; L296-I300 VanDerWaalsContact O-CG1 3.23Å; L296-I300 WeakPolarHBondContact O-CG1 3.28Å; L296-I300 PolarHBondContact O-N 3.47Å; R297-I300 PolarHBondContact O-N 2.95Å; I300-S302 VanDerWaalsContact C-N 3.33Å; I300-S302 PolarHBondContact O-N 2.94Å; I300-Q303 PolarHBondContact O-N 2.88Å; I300-Y304 PolarHBondContact O-N 3.45Å; I300-V308 HydrophobicContact CG2-CB 4.26Å; I300-V308 HydrophobicContact CG2-CG1 4.43Å; I300-V311 HydrophobicContact CD1-CG1 4.41Å
301V80.6Confident77.6Confident58 Ų5878.6 Ų78.635%0.35240%0.399SS..Hα-helixtrans-65.5-37.4179.5173.30000111R297 G305R297-V301 HydrophobicContact CG-CG2 4.37Å; R297-V301 WeakPolarHBondContact O-CB 3.36Å; R297-V301 VanDerWaalsContact O-CG2 3.27Å; R297-V301 WeakPolarHBondContact O-CG2 3.1Å; R297-V301 PolarHBondContact O-N 3.36Å; V301-G305 WeakPolarHBondContact O-CA 3.5Å; V301-G305 PolarHBondContact O-N 2.91Å
302S75.1Confident77.8Confident94 Ų9473.9 Ų73.966%0.65738%0.378SS*.Hα-helixtrans-71.1-34.2176.5540000113.9D298 S299 I300D298-S302 VanDerWaalsContact O-CB 3.29Å; D298-S302 WeakPolarHBondContact O-CB 3.27Å; D298-S302 PolarHBondContact O-N 3.19Å; D298-S302 PolarHBondContact O-OG 3.44Å; S299-S302 WeakPolarHBondContact CA-OG 3.3Å; S299-S302 PolarHBondContact O-OG 3.38Å; I300-S302 VanDerWaalsContact C-N 3.33Å; I300-S302 PolarHBondContact O-N 2.94Å
303Q74.7Confident77.9Confident132 Ų13273.9 Ų73.962%0.61738%0.378SS*.Hα-helixtrans-85.7-36.9179.8-74.6-173.4-4.100114.2S299 I300S299-Q303 WeakPolarHBondContact O-CB 3.38Å; S299-Q303 PolarHBondContact O-N 3.11Å; S299-Q303 VanDerWaalsContact O-N 3.1Å; I300-Q303 PolarHBondContact O-N 2.88Å
304Y72.5Confident77.7Confident87 Ų8776.8 Ų76.834%0.34140%0.395SS..Hα-helixtrans-119.3-5.3-170.5-61.4-88000113.6L209 I300 V308L209-Y304 HydrophobicContact CD2-CD2 4.03Å; L209-Y304 HydrophobicContact CD2-CE2 3.62Å; I300-Y304 PolarHBondContact O-N 3.45Å; Y304-V308 HydrophobicContact CG-CG2 4.4Å
305G69.1Low77.1Confident30 Ų3073.7 Ų73.731%0.30937%0.374SS..G310 helixtrans67.6-163.6-174.300000113.1V301 K307V301-G305 WeakPolarHBondContact O-CA 3.5Å; V301-G305 PolarHBondContact O-N 2.91Å; G305-K307 PolarHBondContact O-N 2.89Å; G305-K307 VanDerWaalsContact O-N 3.09Å
306D68.7Low76.2Confident135 Ų13566.6 Ų66.672%0.72235%0.346SS*.G310 helixtrans-73.79.6176-79.8-22.4000114.3
307K66.4Low74.8Confident193 Ų19370.7 Ų70.784%0.83937%0.368SS*.G310 helixtrans-74.1-26.9-177.1-67.6-177.9178.8177.90112.8G305G305-K307 PolarHBondContact O-N 2.89Å; G305-K307 VanDerWaalsContact O-N 3.09Å
308V69.6Low74.4Confident15 Ų1569.4 Ų69.49%0.09137%0.368CS..  trans-98.597.7-179.9-1760000109L209 V289 I300 Y304 V311L209-V308 HydrophobicContact CD1-CG1 4.19Å; V289-V308 HydrophobicContact CG2-CG1 4.19Å; V289-V308 VanDerWaalsContact CG2-O 3.26Å; V289-V308 WeakPolarHBondContact CG2-O 3.33Å; I300-V308 HydrophobicContact CG2-CB 4.26Å; I300-V308 HydrophobicContact CG2-CG1 4.43Å; Y304-V308 HydrophobicContact CG-CG2 4.4Å; V308-V311 HydrophobicContact CG1-CG1 4.19Å
309Q75.6Confident74.1Confident151 Ų15168.4 Ų68.471%0.70636%0.363SS*.  trans-90.2-27.8177.8-64.5-172.71.600112.7A288 V289A288-Q309 WeakPolarHBondContact CA-O 3.25Å; V289-Q309 PolarHBondContact N-O 2.92Å
310L81.9Confident73.8Confident70 Ų7069.6 Ų69.637%0.36637%0.365SS..EExtended strand (participates in β ladder)trans-125.8138.5-175.9-69.7164.7000110.1Y312L310-Y312 HydrophobicContact CB-CE2 4.32Å
311V83.3Confident73.5Confident0 Ų073.6 Ų73.60%039%0.386CS..EExtended strand (participates in β ladder)trans-119.1151.6172.1-62.60000110.7V201 L209 S286 M287 V289 L292 I300 V308V201-V311 HydrophobicContact CG1-CB 3.3Å; V201-V311 HydrophobicContact CG1-CG1 3.89Å; V201-V311 HydrophobicContact CG1-CG2 3.49Å; V201-V311 VanDerWaalsContact CG1-CG2 3.49Å; L209-V311 HydrophobicContact CD1-CB 4.41Å; L209-V311 HydrophobicContact CD1-CG1 3.55Å; S286-V311 CarbonylContact C-O 3.54Å; S286-V311 WeakPolarHBondContact CA-O 3.49Å; M287-V311 HydrophobicContact CB-CG2 4.14Å; M287-V311 PolarHBondContact N-O 3.27Å; M287-V311 VanDerWaalsContact O-CG2 3.3Å; M287-V311 WeakPolarHBondContact O-CG2 3.32Å; M287-V311 PolarHBondContact O-N 3.17Å; V289-V311 HydrophobicContact CG2-CG1 3.56Å; L292-V311 HydrophobicContact CD1-CG1 4.08Å; L292-V311 HydrophobicContact CD1-CG2 3.84Å; L292-V311 HydrophobicContact CD2-CG2 4.06Å; L292-V311 HydrophobicContact CG-CG2 4.24Å; I300-V311 HydrophobicContact CD1-CG1 4.41Å; V308-V311 HydrophobicContact CG1-CG1 4.19Å
312Y85.5Confident73Confident45 Ų4574.6 Ų74.618%0.17639%0.388CS..EExtended strand (participates in β ladder)trans-117.7135.5-174.9-60.2-96.1000110.5T202 E204 R284 C285 L310T202-Y312 PolarHBondContact N-O 2.88Å; T202-Y312 PolarHBondContact O-N 2.99Å; T202-Y312 PolarHBondContact OG1-O 3.28Å; E204-Y312 HydrophobicContact CB-CE2 4.27Å; E204-Y312 HydrophobicContact CG-CD2 4.16Å; E204-Y312 HydrophobicContact CG-CE2 3.23Å; E204-Y312 PolarHBondContact OE1-OH 2.87Å; R284-Y312 HydrophobicContact CG-CD1 4.14Å; C285-Y312 CarbonylContact O-C 3.31Å; C285-Y312 VanDerWaalsContact O-CA 3.32Å; C285-Y312 WeakPolarHBondContact O-CA 3.37Å; L310-Y312 HydrophobicContact CB-CE2 4.32Å
313F83.7Confident72.9Confident3 Ų373.3 Ų73.31%0.01337%0.37CS..EExtended strand (participates in β ladder)trans-136.3154.117764.1-87.4000110.1I199 A215 K218 C285 M287I199-F313 HydrophobicContact CD1-CB 3.78Å; I199-F313 HydrophobicContact CD1-CD2 3.36Å; I199-F313 HydrophobicContact CD1-CE2 4.2Å; I199-F313 HydrophobicContact CD1-CG 3.84Å; I199-F313 HydrophobicContact CG1-CB 4.42Å; A215-F313 HydrophobicContact CB-CB 4.3Å; A215-F313 HydrophobicContact CB-CD1 3.97Å; A215-F313 HydrophobicContact CB-CD2 4.33Å; A215-F313 HydrophobicContact CB-CE1 4.38Å; A215-F313 HydrophobicContact CB-CG 3.94Å; A215-F313 WeakPolarHBondContact O-CE2 3.47Å; K218-F313 HydrophobicContact CB-CZ 4.3Å; K218-F313 HydrophobicContact CD-CE1 4.38Å; K218-F313 HydrophobicContact CD-CZ 3.96Å; K218-F313 HydrophobicContact CG-CZ 4.17Å; C285-F313 HydrophobicContact CB-CD1 4.3Å; C285-F313 HydrophobicContact CB-CD2 4.23Å; C285-F313 HydrophobicContact CB-CE1 3.69Å; C285-F313 HydrophobicContact CB-CE2 3.65Å; C285-F313 HydrophobicContact CB-CZ 3.35Å; C285-F313 PolarHBondContact N-O 3.22Å; C285-F313 WeakPolarHBondContact O-CD1 3.29Å; C285-F313 PolarHBondContact O-N 3.42Å; M287-F313 HydrophobicContact CB-CD1 4.44Å; M287-F313 HydrophobicContact CB-CE1 3.97Å; M287-F313 HydrophobicContact CE-CE1 4.22Å
314N79.6Confident72.8Confident102 Ų10269.1 Ų69.155%0.54535%0.352SS..EExtended strand (participates in β ladder)trans-85.7123.3174.6-165.7-27.6000109.4Q283 G316Q283-N314 WeakPolarHBondContact O-CA 3.03Å; Q283-N314 PolarHBondContact O-OD1 3.33Å; N314-G316 VanDerWaalsContact C-N 3.25Å; N314-G316 PolarHBondContact O-N 2.98Å; N314-G316 PolarHBondContact OD1-N 3.04Å
315K68.9Low72.8Confident6 Ų667.7 Ų67.73%0.02635%0.353CS..  trans-65.9-28.9178-168-170.376.9-179.30112R191 Q222 V223 F281 Q283R191-K315 PolarHBondContact NH1-O 2.77Å; R191-K315 PolarHBondContact NH2-O 2.95Å; Q222-K315 HydrophobicContact CB-CD 3.78Å; Q222-K315 HydrophobicContact CB-CG 4.4Å; V223-K315 HydrophobicContact CG2-CD 4.09Å; V223-K315 HydrophobicContact CG2-CG 3.97Å; F281-K315 HydrophobicContact CB-CD 4.15Å; F281-K315 PolarHBondContact O-NZ 3.12Å; Q283-K315 PolarHBondContact O-N 3.1Å
316G63.3Low73.1Confident22 Ų2270.8 Ų70.823%0.22736%0.356CS..  trans71.2174.3-162.800000112.4N314N314-G316 VanDerWaalsContact C-N 3.25Å; N314-G316 PolarHBondContact O-N 2.98Å; N314-G316 PolarHBondContact OD1-N 3.04Å
317L50.9Low73.5Confident108 Ų10865 Ų6557%0.56532%0.323SS*.  trans-99.30177.1-75.4162.7000111.8F27F27-L317 HydrophobicContact CE1-CD2 3.6Å; F27-L317 HydrophobicContact CZ-CD2 3.91Å

Retrieved 317 of 317 residues in 225.8 ms (Link to these results)

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