A0A3P9PM89_POERE Loading...

Amyloid protein-binding protein 2

Substrate-recognition component of a Cul2-RING (CRL2) E3 ubiquitin-protein ligase complex of the DesCEND (destruction via C-end degrons) pathway, which recognizes a C-degron located at the extreme C terminus of target proteins, leading to their ubiquitination and degradation. The C-degron recognized by the DesCEND pathway is usually a motif of less than ten residues and can be present in full-length proteins, truncated proteins or proteolytically cleaved forms. The CRL2(APPBP2) complex specifically recognizes proteins with a -Arg-Xaa-Xaa-Gly degron at the C-terminus, leading to their ubiquitination and degradation. The CRL2(APPBP2) complex mediates ubiquitination and degradation of truncated SELENOV selenoproteins produced by failed UGA/Sec decoding, which end with a -Arg-Xaa-Xaa-Gly degron. May play a role in intracellular protein transport: may be involved in the translocation of APP along microtubules toward the cell surface.

AlphaFold DB , UniProt , Accession A0A3P9PM89, Species POERE (Poecilia reticulata, Guppy), Gene n/a, Length 588 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
1M39.4Very low50.1Low245 Ų245144.1 Ų144.1100%1.20779%0.785SS**  099.20-69.7-171.1-55.900107.7
2A36.9Very low53.5Low103 Ų103138.6 Ų138.685%0.85176%0.759SS**  trans-93.2118.4167.100000106.5A4A2-A4 PolarHBondContact O-N 3.29Å; A2-A4 VanDerWaalsContact O-N 3.13Å
3A43.3Very low56.4Low101 Ų101139.5 Ų139.584%0.83576%0.761SS**  trans-66.5106.4170.500000107.3E5A3-E5 PolarHBondContact O-N 3.16Å
4A46.3Very low59Low90 Ų90136.5 Ų136.574%0.74473%0.734SS**  trans-67.7117.1165.900000106.9A2 L6A2-A4 PolarHBondContact O-N 3.29Å; A2-A4 VanDerWaalsContact O-N 3.13Å; A4-L6 PolarHBondContact O-N 2.97Å
5E45.8Very low61Low179 Ų179132.3 Ų132.384%0.83671%0.712SS**  trans-55.5112.2166.9-72.9175.5151.300107.8A3 E7A3-E5 PolarHBondContact O-N 3.16Å; E5-E7 PolarHBondContact O-N 3.48Å
6L46.9Very low62.9Low178 Ų178128.1 Ų128.193%0.93269%0.692SS**  trans-70.381.2168.5-85.4155.1000107.4A4 W8A4-L6 PolarHBondContact O-N 2.97Å; L6-W8 PolarHBondContact O-N 3.26Å; L6-W8 VanDerWaalsContact O-N 3.07Å
7E42.1Very low64.7Low160 Ų160123.5 Ų123.575%0.74868%0.676SS**  trans-60.6110.7164.1-84.9-170.1148.900108E5 I9E5-E7 PolarHBondContact O-N 3.48Å; E7-I9 PolarHBondContact O-N 2.75Å
8W50.4Low66.4Low217 Ų217117.3 Ų117.382%0.82264%0.642SS**  trans-68.8103.3168.9177.681.1000108.1L6 P10L6-W8 PolarHBondContact O-N 3.26Å; L6-W8 VanDerWaalsContact O-N 3.07Å; W8-P10 HydrophobicContact CE3-CG 4.15Å; W8-P10 HydrophobicContact CH2-CB 3.59Å; W8-P10 HydrophobicContact CH2-CG 3.91Å; W8-P10 HydrophobicContact CZ2-CB 4.05Å; W8-P10 HydrophobicContact CZ3-CB 3.84Å; W8-P10 HydrophobicContact CZ3-CG 3.6Å; W8-P10 WeakPolarHBondContact O-CD 3.41Å
9I57.9Low67.8Low137 Ų137111.9 Ų111.970%0.70361%0.613SS**  trans-90.4114.9171.9-55.9172.5000107.1E7 E11E7-I9 PolarHBondContact O-N 2.75Å; I9-E11 PolarHBondContact O-N 3.29Å
10P65.9Low69.1Low75 Ų75108.8 Ų108.849%0.48760%0.603SS.*PPolyproline II helixtrans-60.5136.8177.93-3.1000111W8 T12W8-P10 HydrophobicContact CE3-CG 4.15Å; W8-P10 HydrophobicContact CH2-CB 3.59Å; W8-P10 HydrophobicContact CH2-CG 3.91Å; W8-P10 HydrophobicContact CZ2-CB 4.05Å; W8-P10 HydrophobicContact CZ3-CB 3.84Å; W8-P10 HydrophobicContact CZ3-CG 3.6Å; W8-P10 WeakPolarHBondContact O-CD 3.41Å; P10-T12 PolarHBondContact O-N 3.18Å
11E76.5Confident70.3Confident100 Ų100105.9 Ų105.947%0.46759%0.588SS.*PPolyproline II helixtrans-57.5140.8169.5-79.9-16315600109.8I9 N15 T16 K46I9-E11 PolarHBondContact O-N 3.29Å; E11-N15 HydrophobicContact CB-CB 4.36Å; E11-T16 PolarHBondContact OE2-OG1 3.18Å; E11-K46 IonicContact OE1-NZ 3.34Å; E11-K46 PolarHBondContact OE1-NZ 3.43Å
12T90.1Very high72.9Confident78 Ų7894.2 Ų94.248%0.47953%0.531SS..PPolyproline II helixtrans-62.3148.8171.565.70000109.6P10 Y14 N15 T16P10-T12 PolarHBondContact O-N 3.18Å; T12-Y14 PolarHBondContact O-N 3.02Å; T12-N15 PolarHBondContact O-N 3.49Å; T12-N15 WeakPolarHBondContact OG1-CB 3.39Å; T12-N15 PolarHBondContact OG1-N 3.35Å; T12-N15 VanDerWaalsContact OG1-N 3.14Å; T12-N15 PolarHBondContact OG1-ND2 2.92Å; T12-T16 PolarHBondContact O-N 3.26Å; T12-T16 PolarHBondContact O-OG1 2.96Å
13L91.4Very high75.7Confident150 Ų15094.1 Ų94.179%0.78552%0.516SS*.Hα-helixtrans-51.4-35.8174.717862.9000111.8A17L13-A17 VanDerWaalsContact O-CB 3.3Å; L13-A17 WeakPolarHBondContact O-CB 3.34Å; L13-A17 PolarHBondContact O-N 3.34Å
14Y92.6Very high78.1Confident98 Ų9893.1 Ų93.138%0.38450%0.496SS..Hα-helixtrans-60.8-52.7174.6-176.3-98.7000112.1T12 T16 A17 I18 D42T12-Y14 PolarHBondContact O-N 3.02Å; Y14-T16 VanDerWaalsContact C-N 3.31Å; Y14-T16 PolarHBondContact O-N 3.1Å; Y14-A17 PolarHBondContact O-N 2.91Å; Y14-I18 HydrophobicContact CD1-CG1 4.25Å; Y14-I18 HydrophobicContact CE1-CD1 4.38Å; Y14-I18 HydrophobicContact CE1-CG1 3.83Å; Y14-I18 HydrophobicContact CE2-CD1 4.48Å; Y14-I18 HydrophobicContact CE2-CG1 4.45Å; Y14-I18 WeakPolarHBondContact O-CG1 3.05Å; Y14-I18 PolarHBondContact O-N 2.85Å; Y14-D42 PolarHBondContact OH-OD2 3.42Å
15N89.2Confident80.3Confident74 Ų7489.2 Ų89.240%0.39646%0.462SS..Hα-helixtrans-62.1-40.6178.8-74.4-13.8000111.5E11 T12 A17 I18 S19E11-N15 HydrophobicContact CB-CB 4.36Å; T12-N15 PolarHBondContact O-N 3.49Å; T12-N15 WeakPolarHBondContact OG1-CB 3.39Å; T12-N15 PolarHBondContact OG1-N 3.35Å; T12-N15 VanDerWaalsContact OG1-N 3.14Å; T12-N15 PolarHBondContact OG1-ND2 2.92Å; N15-A17 PolarHBondContact O-N 3.46Å; N15-I18 PolarHBondContact O-N 3.46Å; N15-S19 PolarHBondContact O-N 3.32Å; N15-S19 PolarHBondContact O-OG 3.05Å
16T91.8Very high82.5Confident65 Ų6585.3 Ų85.340%0.39946%0.455SS..Hα-helixtrans-63.2-40.6175.4-53.70000111.8E11 T12 Y14 S19 A20E11-T16 PolarHBondContact OE2-OG1 3.18Å; T12-T16 PolarHBondContact O-N 3.26Å; T12-T16 PolarHBondContact O-OG1 2.96Å; Y14-T16 VanDerWaalsContact C-N 3.31Å; Y14-T16 PolarHBondContact O-N 3.1Å; T16-S19 WeakPolarHBondContact O-CB 3.38Å; T16-S19 PolarHBondContact O-N 3.1Å; T16-A20 PolarHBondContact O-N 3.49Å
17A93.6Very high84.7Confident50 Ų5087.1 Ų87.141%0.41345%0.449SS..Hα-helixtrans-64.7-43.7175.600000111.8L13 Y14 N15 S19 A20 V21L13-A17 VanDerWaalsContact O-CB 3.3Å; L13-A17 WeakPolarHBondContact O-CB 3.34Å; L13-A17 PolarHBondContact O-N 3.34Å; Y14-A17 PolarHBondContact O-N 2.91Å; N15-A17 PolarHBondContact O-N 3.46Å; A17-S19 VanDerWaalsContact C-N 3.35Å; A17-A20 PolarHBondContact O-N 3.45Å; A17-V21 WeakPolarHBondContact O-CG2 3.39Å; A17-V21 PolarHBondContact O-N 2.97Å
18I94.9Very high87Confident12 Ų1280.4 Ų80.46%0.06242%0.42CS..Hα-helixtrans-60.9-44.7174.5-64.7-67.4000110.5Y14 N15 A20 V21 V22 I39 D42 V43 K46Y14-I18 HydrophobicContact CD1-CG1 4.25Å; Y14-I18 HydrophobicContact CE1-CD1 4.38Å; Y14-I18 HydrophobicContact CE1-CG1 3.83Å; Y14-I18 HydrophobicContact CE2-CD1 4.48Å; Y14-I18 HydrophobicContact CE2-CG1 4.45Å; Y14-I18 WeakPolarHBondContact O-CG1 3.05Å; Y14-I18 PolarHBondContact O-N 2.85Å; N15-I18 PolarHBondContact O-N 3.46Å; I18-A20 PolarHBondContact O-N 3.14Å; I18-V21 PolarHBondContact O-N 2.65Å; I18-V22 HydrophobicContact CG2-CG2 4.47Å; I18-V22 WeakPolarHBondContact O-CG2 3.43Å; I18-V22 PolarHBondContact O-N 2.94Å; I18-I39 HydrophobicContact CD1-CG2 4.12Å; I18-D42 HydrophobicContact CD1-CB 4.25Å; I18-V43 HydrophobicContact CD1-CG2 3.75Å; I18-V43 HydrophobicContact CG2-CG2 4.36Å; I18-K46 HydrophobicContact CG2-CB 3.67Å; I18-K46 HydrophobicContact CG2-CG 3.97Å
19S93.2Very high89Confident14 Ų1474.9 Ų74.910%0.09840%0.399CS..Hα-helixtrans-56-48.7174.6-61.30000111.3N15 T16 A17 V21 V22 D23 K46N15-S19 PolarHBondContact O-N 3.32Å; N15-S19 PolarHBondContact O-OG 3.05Å; T16-S19 WeakPolarHBondContact O-CB 3.38Å; T16-S19 PolarHBondContact O-N 3.1Å; A17-S19 VanDerWaalsContact C-N 3.35Å; S19-V21 VanDerWaalsContact C-N 3.34Å; S19-V21 PolarHBondContact O-N 3.24Å; S19-V22 PolarHBondContact O-N 3.48Å; S19-V22 VanDerWaalsContact O-N 3.13Å; S19-D23 PolarHBondContact O-N 3.49Å; S19-K46 WeakPolarHBondContact OG-CE 3.49Å; S19-K46 PolarHBondContact OG-NZ 3.4Å
20A93.8Very high90.6Very high49 Ų4978.9 Ų78.941%0.40541%0.405SS..Hα-helixtrans-62.7-38179.300000113.2T16 A17 I18 N24T16-A20 PolarHBondContact O-N 3.49Å; A17-A20 PolarHBondContact O-N 3.45Å; I18-A20 PolarHBondContact O-N 3.14Å; A20-N24 PolarHBondContact O-N 3.45Å; A20-N24 PolarHBondContact O-ND2 2.99Å
21V94.7Very high91.9Very high49 Ų4980.2 Ų80.230%0.29741%0.408SS..Hα-helixtrans-63.5-43.8174169.70000110.7A17 I18 S19 N24 Y25 S28 I32 V43A17-V21 WeakPolarHBondContact O-CG2 3.39Å; A17-V21 PolarHBondContact O-N 2.97Å; I18-V21 PolarHBondContact O-N 2.65Å; S19-V21 VanDerWaalsContact C-N 3.34Å; S19-V21 PolarHBondContact O-N 3.24Å; V21-N24 CarbonylContact O-C 3.24Å; V21-N24 PolarHBondContact O-N 3.04Å; V21-Y25 PolarHBondContact O-N 3.19Å; V21-Y25 VanDerWaalsContact O-N 3.1Å; V21-S28 PolarHBondContact O-OG 3.25Å; V21-I32 HydrophobicContact CG1-CD1 3.87Å; V21-I32 HydrophobicContact CG1-CG1 3.8Å; V21-V43 HydrophobicContact CG1-CG1 4.17Å; V21-V43 HydrophobicContact CG1-CG2 4.05Å
22V94.8Very high92.8Very high0 Ų075.5 Ų75.50%039%0.387CS..Hα-helixtrans-66.7-43.1178.1168.50000111.4I18 S19 N24 Y25 V43 K46 L47 R52I18-V22 HydrophobicContact CG2-CG2 4.47Å; I18-V22 WeakPolarHBondContact O-CG2 3.43Å; I18-V22 PolarHBondContact O-N 2.94Å; S19-V22 PolarHBondContact O-N 3.48Å; S19-V22 VanDerWaalsContact O-N 3.13Å; V22-N24 PolarHBondContact O-N 3.11Å; V22-Y25 WeakPolarHBondContact O-CB 3.34Å; V22-Y25 PolarHBondContact O-N 3.2Å; V22-V43 HydrophobicContact CG2-CG1 3.81Å; V22-K46 HydrophobicContact CG2-CB 3.97Å; V22-K46 HydrophobicContact CG2-CG 4.03Å; V22-L47 HydrophobicContact CG1-CD2 3.7Å; V22-L47 HydrophobicContact CG1-CG 4.28Å; V22-L47 HydrophobicContact CG2-CG 4.37Å; V22-R52 VanDerWaalsContact CG1-NH1 3.31Å; V22-R52 PolarHBondContact O-NH1 2.87Å; V22-R52 PolarHBondContact O-NH2 3.47Å
23D93.8Very high92.9Very high101 Ų10175.8 Ų75.854%0.5438%0.379SS..Hα-helixtrans-59.6-32.6177.6-65.8-18.4000111.4S19S19-D23 PolarHBondContact O-N 3.49Å
24N93.9Very high93Very high80 Ų8073 Ų7343%0.42837%0.372SS..THydrogen-bonded Turntrans-96.516.6175-68.7-81.8000114.2A20 V21 V22 S26 R27 S28A20-N24 PolarHBondContact O-N 3.45Å; A20-N24 PolarHBondContact O-ND2 2.99Å; V21-N24 CarbonylContact O-C 3.24Å; V21-N24 PolarHBondContact O-N 3.04Å; V22-N24 PolarHBondContact O-N 3.11Å; N24-S26 VanDerWaalsContact C-N 3.28Å; N24-S26 PolarHBondContact O-N 3.03Å; N24-R27 WeakPolarHBondContact O-CB 3.41Å; N24-R27 PolarHBondContact O-N 3.25Å; N24-S28 PolarHBondContact O-N 3.34Å; N24-S28 VanDerWaalsContact O-N 3.09Å; N24-S28 PolarHBondContact O-OG 3.26Å; N24-S28 VanDerWaalsContact O-OG 3.13Å
25Y93.9Very high93.1Very high7 Ų770.6 Ų70.63%0.02737%0.366CS..Hα-helixtrans-45.8-45.8-171178.9-96.1000114.2V21 V22 R27 S28 R29 I32 L47 Q55 E59V21-Y25 PolarHBondContact O-N 3.19Å; V21-Y25 VanDerWaalsContact O-N 3.1Å; V22-Y25 WeakPolarHBondContact O-CB 3.34Å; V22-Y25 PolarHBondContact O-N 3.2Å; Y25-R27 PolarHBondContact O-N 3.24Å; Y25-S28 WeakPolarHBondContact CA-OG 3.35Å; Y25-S28 CarbonylContact O-C 3.59Å; Y25-S28 PolarHBondContact O-N 3.38Å; Y25-S28 PolarHBondContact O-OG 2.87Å; Y25-R29 HydrophobicContact CE1-CB 4.49Å; Y25-R29 HydrophobicContact CE1-CG 4.22Å; Y25-R29 WeakPolarHBondContact O-CA 3.46Å; Y25-R29 WeakPolarHBondContact O-CB 3.46Å; Y25-R29 PolarHBondContact O-N 3.08Å; Y25-I32 HydrophobicContact CD2-CD1 3.48Å; Y25-I32 VanDerWaalsContact CD2-CD1 3.48Å; Y25-I32 HydrophobicContact CE2-CD1 3.76Å; Y25-I32 HydrophobicContact CG-CD1 4.46Å; Y25-L47 HydrophobicContact CD2-CD1 3.88Å; Y25-L47 HydrophobicContact CD2-CD2 4.13Å; Y25-L47 HydrophobicContact CD2-CG 4.45Å; Y25-L47 HydrophobicContact CE2-CD1 3.62Å; Y25-L47 HydrophobicContact CG-CD2 4.29Å; Y25-Q55 HydrophobicContact CD1-CB 4.3Å; Y25-Q55 HydrophobicContact CD1-CG 4.25Å; Y25-Q55 HydrophobicContact CE1-CB 3.93Å; Y25-Q55 HydrophobicContact CE1-CG 4.17Å; Y25-E59 WeakPolarHBondContact OH-CG 3.41Å; Y25-E59 PolarHBondContact OH-OE1 3.11Å
26S91.1Very high93.4Very high98 Ų9870.7 Ų70.769%0.68537%0.37SS*.Hα-helixtrans-61.1-30.8-177.8-57.30000113N24N24-S26 VanDerWaalsContact C-N 3.28Å; N24-S26 PolarHBondContact O-N 3.03Å
27R92.6Very high93.4Very high215 Ų21570.5 Ų70.581%0.81137%0.365SS*.Hα-helixtrans-84.3-37.9177-64.5180177.9174.9-1.1111.6N24 Y25N24-R27 WeakPolarHBondContact O-CB 3.41Å; N24-R27 PolarHBondContact O-N 3.25Å; Y25-R27 PolarHBondContact O-N 3.24Å
28S90.9Very high93.4Very high19 Ų1971.4 Ų71.413%0.13336%0.362CS..Hα-helixtrans-91.7-2.6-175.456.60000114.4V21 N24 Y25 R30 D31 I32V21-S28 PolarHBondContact O-OG 3.25Å; N24-S28 PolarHBondContact O-N 3.34Å; N24-S28 VanDerWaalsContact O-N 3.09Å; N24-S28 PolarHBondContact O-OG 3.26Å; N24-S28 VanDerWaalsContact O-OG 3.13Å; Y25-S28 WeakPolarHBondContact CA-OG 3.35Å; Y25-S28 CarbonylContact O-C 3.59Å; Y25-S28 PolarHBondContact O-N 3.38Å; Y25-S28 PolarHBondContact O-OG 2.87Å; S28-R30 VanDerWaalsContact C-N 3.28Å; S28-R30 PolarHBondContact O-N 3.14Å; S28-R30 VanDerWaalsContact O-N 3.1Å; S28-D31 WeakPolarHBondContact O-CA 3.48Å; S28-D31 PolarHBondContact O-N 2.99Å; S28-I32 WeakPolarHBondContact O-CG1 3.48Å; S28-I32 PolarHBondContact O-N 3.33Å; S28-I32 WeakPolarHBondContact OG-CD1 3.32Å
29R93Very high93.4Very high101 Ų10173.7 Ų73.738%0.38137%0.374SS..Hα-helixtrans-48-44.4-173.2-174.4-176.8-177.5-150.92.6114.1Y25 E59Y25-R29 HydrophobicContact CE1-CB 4.49Å; Y25-R29 HydrophobicContact CE1-CG 4.22Å; Y25-R29 WeakPolarHBondContact O-CA 3.46Å; Y25-R29 WeakPolarHBondContact O-CB 3.46Å; Y25-R29 PolarHBondContact O-N 3.08Å; R29-E59 IonicContact CZ-OE1 3.2Å; R29-E59 IonicContact NE-OE1 2.69Å; R29-E59 PolarHBondContact NE-OE1 3.04Å; R29-E59 IonicContact NH2-OE1 2.84Å; R29-E59 PolarHBondContact NH2-OE1 3.3Å
30R91.7Very high93.5Very high221 Ų22173 Ų7383%0.83437%0.37SS*.Hα-helixtrans-68.5-43179.8-70-176.3-178.4176.31111.3S28 I32 R33S28-R30 VanDerWaalsContact C-N 3.28Å; S28-R30 PolarHBondContact O-N 3.14Å; S28-R30 VanDerWaalsContact O-N 3.1Å; R30-I32 VanDerWaalsContact C-N 3.34Å; R30-R33 PolarHBondContact O-N 3.5Å
31D93.3Very high93.6Very high103 Ų10370.8 Ų70.855%0.55135%0.351SS*.Hα-helixtrans-67.1-37.7-179.8-52.9-40.3000111.1S28 R33 S34 L35S28-D31 WeakPolarHBondContact O-CA 3.48Å; S28-D31 PolarHBondContact O-N 2.99Å; D31-R33 PolarHBondContact O-N 3.46Å; D31-S34 WeakPolarHBondContact O-CB 3.4Å; D31-S34 PolarHBondContact O-N 2.86Å; D31-S34 PolarHBondContact O-OG 3.32Å; D31-L35 PolarHBondContact O-N 2.95Å
32I93.8Very high93.6Very high2 Ų270.1 Ų70.11%0.0135%0.346CS..Hα-helixtrans-55.1-39.6175.1-69163.8000111.2V21 Y25 S28 R30 S34 L35 Q40 V43 Y44V21-I32 HydrophobicContact CG1-CD1 3.87Å; V21-I32 HydrophobicContact CG1-CG1 3.8Å; Y25-I32 HydrophobicContact CD2-CD1 3.48Å; Y25-I32 VanDerWaalsContact CD2-CD1 3.48Å; Y25-I32 HydrophobicContact CE2-CD1 3.76Å; Y25-I32 HydrophobicContact CG-CD1 4.46Å; S28-I32 WeakPolarHBondContact O-CG1 3.48Å; S28-I32 PolarHBondContact O-N 3.33Å; S28-I32 WeakPolarHBondContact OG-CD1 3.32Å; R30-I32 VanDerWaalsContact C-N 3.34Å; I32-S34 PolarHBondContact O-N 2.71Å; I32-L35 HydrophobicContact CB-CD1 4.44Å; I32-L35 HydrophobicContact CG1-CD1 4.42Å; I32-L35 HydrophobicContact CG2-CD1 4.47Å; I32-L35 WeakPolarHBondContact O-CB 3.33Å; I32-L35 PolarHBondContact O-N 3.38Å; I32-Q40 HydrophobicContact CG2-CG 4.25Å; I32-V43 HydrophobicContact CD1-CG1 3.87Å; I32-V43 HydrophobicContact CG1-CG1 4.18Å; I32-V43 HydrophobicContact CG2-CB 4.37Å; I32-V43 HydrophobicContact CG2-CG1 3.96Å; I32-Y44 HydrophobicContact CG2-CD1 4.48Å; I32-Y44 HydrophobicContact CG2-CE1 3.7Å
33R94.1Very high93.7Very high83 Ų8370.2 Ų70.231%0.31335%0.346SS..Hα-helixtrans-66.3-23.6178.9-67.2178.5175.6-167-5.3113.5R30 D31 E59 V65 K68R30-R33 PolarHBondContact O-N 3.5Å; D31-R33 PolarHBondContact O-N 3.46Å; R33-E59 IonicContact CZ-OE1 3.95Å; R33-E59 IonicContact CZ-OE2 2.81Å; R33-E59 VanDerWaalsContact CZ-OE2 3.27Å; R33-E59 IonicContact NE-OE1 2.84Å; R33-E59 IonicContact NE-OE2 3.49Å; R33-E59 PolarHBondContact NE-OE2 3.44Å; R33-E59 IonicContact NH2-OE1 3.12Å; R33-E59 PolarHBondContact NH2-OE1 2.88Å; R33-E59 VanDerWaalsContact NH2-OE1 3.12Å; R33-E59 IonicContact NH2-OE2 2.86Å; R33-E59 PolarHBondContact NH2-OE2 3.34Å; R33-V65 HydrophobicContact CG-CG2 4.31Å; R33-K68 PolarHBondContact O-NZ 3.33Å
34S93.3Very high93.9Very high91 Ų9165.4 Ų65.464%0.63632%0.32SS*.Hα-helixtrans-83.6-19.2177.276.50000113.5D31 I32D31-S34 WeakPolarHBondContact O-CB 3.4Å; D31-S34 PolarHBondContact O-N 2.86Å; D31-S34 PolarHBondContact O-OG 3.32Å; I32-S34 PolarHBondContact O-N 2.71Å
35L93.9Very high94Very high49 Ų4964 Ų6426%0.25731%0.309SS..SBendtrans-59.7151.3-178.5-64.9175.3000112.6D31 I32 I39 Q40 V43 K68D31-L35 PolarHBondContact O-N 2.95Å; I32-L35 HydrophobicContact CB-CD1 4.44Å; I32-L35 HydrophobicContact CG1-CD1 4.42Å; I32-L35 HydrophobicContact CG2-CD1 4.47Å; I32-L35 WeakPolarHBondContact O-CB 3.33Å; I32-L35 PolarHBondContact O-N 3.38Å; L35-I39 HydrophobicContact CB-CB 4.49Å; L35-I39 HydrophobicContact CB-CG2 4.49Å; L35-I39 HydrophobicContact CD1-CG2 4.07Å; L35-Q40 HydrophobicContact CB-CB 4.25Å; L35-V43 HydrophobicContact CD1-CG2 4.22Å; L35-K68 WeakPolarHBondContact O-CE 3.33Å; L35-K68 PolarHBondContact O-NZ 2.89Å
36P94.6Very high94.1Very high75 Ų7565.1 Ų65.149%0.48731%0.314SS..  trans-51.5147.5171.8-26.334.7000112.6N38 I39 Q40P36-N38 VanDerWaalsContact C-N 3.28Å; P36-N38 PolarHBondContact O-N 3.49Å; P36-N38 VanDerWaalsContact O-N 3.13Å; P36-I39 HydrophobicContact CB-CD1 4.42Å; P36-I39 HydrophobicContact CB-CG1 4.44Å; P36-I39 HydrophobicContact CG-CD1 4.12Å; P36-I39 PolarHBondContact O-N 3.2Å; P36-Q40 WeakPolarHBondContact O-CB 3Å; P36-Q40 PolarHBondContact O-N 3.49Å
37E93.6Very high94.3Very high62 Ų6260.5 Ų60.529%0.2928%0.282SS..Hα-helixtrans-43.8-50.7-174.9-7667.8-163.100112.9F41 K68 R71E37-F41 WeakPolarHBondContact O-CB 3.48Å; E37-F41 PolarHBondContact O-N 2.94Å; E37-K68 HydrophobicContact CG-CG 3.87Å; E37-R71 HydrophobicContact CG-CB 3.79Å; E37-R71 IonicContact OE1-CZ 2.79Å; E37-R71 IonicContact OE1-NE 2.66Å; E37-R71 PolarHBondContact OE1-NE 3.4Å; E37-R71 IonicContact OE1-NH2 3.48Å; E37-R71 PolarHBondContact OE1-NH2 3.4Å
38N92.6Very high94.4Very high68 Ų6853.6 Ų53.636%0.36426%0.256SS..Hα-helixtrans-68.3-40.1-176-75.5-19.9000112.7P36 F41 D42 A72 K75P36-N38 VanDerWaalsContact C-N 3.28Å; P36-N38 PolarHBondContact O-N 3.49Å; P36-N38 VanDerWaalsContact O-N 3.13Å; N38-F41 PolarHBondContact O-N 3.06Å; N38-D42 VanDerWaalsContact O-CG 3.27Å; N38-D42 PolarHBondContact O-N 3.31Å; N38-D42 VanDerWaalsContact O-OD2 3.06Å; N38-A72 WeakPolarHBondContact OD1-CB 3.48Å; N38-K75 PolarHBondContact O-NZ 3.38Å
39I94.1Very high94.6Very high60 Ų6058 Ų5831%0.30828%0.275SS..Hα-helixtrans-72.1-41.7179.4-56.3-179000109.9I18 L35 P36 F41 D42 V43I18-I39 HydrophobicContact CD1-CG2 4.12Å; L35-I39 HydrophobicContact CB-CB 4.49Å; L35-I39 HydrophobicContact CB-CG2 4.49Å; L35-I39 HydrophobicContact CD1-CG2 4.07Å; P36-I39 HydrophobicContact CB-CD1 4.42Å; P36-I39 HydrophobicContact CB-CG1 4.44Å; P36-I39 HydrophobicContact CG-CD1 4.12Å; P36-I39 PolarHBondContact O-N 3.2Å; I39-F41 VanDerWaalsContact C-N 3.28Å; I39-F41 PolarHBondContact O-N 3.48Å; I39-D42 PolarHBondContact O-N 3.08Å; I39-D42 VanDerWaalsContact O-N 3.15Å; I39-V43 WeakPolarHBondContact O-CG2 3.37Å; I39-V43 PolarHBondContact O-N 3.41Å
40Q95.4Very high94.7Very high1 Ų156.8 Ų56.81%0.00527%0.273CS..Hα-helixtrans-57.9-45174.1-174.9-17330.800110.8I32 L35 P36 D42 V43 Y44 K68I32-Q40 HydrophobicContact CG2-CG 4.25Å; L35-Q40 HydrophobicContact CB-CB 4.25Å; P36-Q40 WeakPolarHBondContact O-CB 3Å; P36-Q40 PolarHBondContact O-N 3.49Å; Q40-D42 VanDerWaalsContact C-N 3.33Å; Q40-D42 PolarHBondContact O-N 3.48Å; Q40-V43 PolarHBondContact O-N 3.42Å; Q40-Y44 HydrophobicContact CG-CD2 4.14Å; Q40-Y44 HydrophobicContact CG-CE1 4.38Å; Q40-Y44 HydrophobicContact CG-CE2 3.57Å; Q40-Y44 PolarHBondContact NE2-OH 3.15Å; Q40-Y44 PolarHBondContact O-N 3.21Å; Q40-Y44 VanDerWaalsContact O-N 3.1Å; Q40-K68 VanDerWaalsContact OE1-CE 3.23Å
41F96.3Very high94.8Very high1 Ų148.8 Ų48.80%0.00426%0.26CS..Hα-helixtrans-59.7-43.2175.5-173.1-84.4000111.8E37 N38 I39 V43 Y44 Y45 V69 A72 K75 L78 L79E37-F41 WeakPolarHBondContact O-CB 3.48Å; E37-F41 PolarHBondContact O-N 2.94Å; N38-F41 PolarHBondContact O-N 3.06Å; I39-F41 VanDerWaalsContact C-N 3.28Å; I39-F41 PolarHBondContact O-N 3.48Å; F41-V43 VanDerWaalsContact C-N 3.32Å; F41-V43 PolarHBondContact O-N 3.25Å; F41-Y44 CarbonylContact O-C 3.53Å; F41-Y44 PolarHBondContact O-N 2.91Å; F41-Y44 VanDerWaalsContact O-N 3.08Å; F41-Y45 HydrophobicContact CE1-CD2 4.18Å; F41-Y45 HydrophobicContact CE1-CG 4.28Å; F41-Y45 WeakPolarHBondContact O-CB 3.16Å; F41-Y45 PolarHBondContact O-N 3.05Å; F41-V69 HydrophobicContact CD2-CG1 3.96Å; F41-V69 HydrophobicContact CE2-CG1 4.12Å; F41-A72 HydrophobicContact CB-CB 4.17Å; F41-A72 HydrophobicContact CD2-CB 4.38Å; F41-A72 HydrophobicContact CG-CB 4.34Å; F41-K75 HydrophobicContact CB-CD 4.17Å; F41-K75 HydrophobicContact CD1-CB 3.9Å; F41-K75 HydrophobicContact CD1-CD 3.29Å; F41-K75 HydrophobicContact CD1-CG 4.21Å; F41-K75 HydrophobicContact CE1-CB 3.73Å; F41-K75 HydrophobicContact CE1-CD 3.9Å; F41-K75 HydrophobicContact CE1-CG 4.42Å; F41-K75 HydrophobicContact CG-CB 4.36Å; F41-K75 HydrophobicContact CG-CD 3.86Å; F41-K75 HydrophobicContact CZ-CB 4.07Å; F41-L78 HydrophobicContact CE1-CB 3.8Å; F41-L78 HydrophobicContact CE1-CD1 4.2Å; F41-L78 HydrophobicContact CZ-CB 3.79Å; F41-L79 HydrophobicContact CE2-CB 3.77Å; F41-L79 HydrophobicContact CE2-CD1 4.06Å; F41-L79 HydrophobicContact CE2-CG 4.39Å; F41-L79 HydrophobicContact CZ-CB 4.06Å
42D95.6Very high94.9Very high36 Ų3646.6 Ų46.619%0.19324%0.244CC..Hα-helixtrans-63.3-37.3-180-68.8-29.1000112.5Y14 I18 N38 I39 Q40 Y45 K46 K75Y14-D42 PolarHBondContact OH-OD2 3.42Å; I18-D42 HydrophobicContact CD1-CB 4.25Å; N38-D42 VanDerWaalsContact O-CG 3.27Å; N38-D42 PolarHBondContact O-N 3.31Å; N38-D42 VanDerWaalsContact O-OD2 3.06Å; I39-D42 PolarHBondContact O-N 3.08Å; I39-D42 VanDerWaalsContact O-N 3.15Å; Q40-D42 VanDerWaalsContact C-N 3.33Å; Q40-D42 PolarHBondContact O-N 3.48Å; D42-Y45 PolarHBondContact O-N 3.08Å; D42-K46 WeakPolarHBondContact O-CB 3.41Å; D42-K46 PolarHBondContact O-N 2.49Å; D42-K75 IonicContact OD1-NZ 2.8Å; D42-K75 PolarHBondContact OD1-NZ 2.99Å; D42-K75 IonicContact OD2-NZ 3.91Å; D42-K75 PolarHBondContact OD2-NZ 3.44Å
43V96.4Very high95Very high1 Ų147.6 Ų47.61%0.00625%0.249CC..Hα-helixtrans-61.1-44.9171.2175.50000111I18 V21 V22 I32 L35 I39 Q40 F41 K46 L47I18-V43 HydrophobicContact CD1-CG2 3.75Å; I18-V43 HydrophobicContact CG2-CG2 4.36Å; V21-V43 HydrophobicContact CG1-CG1 4.17Å; V21-V43 HydrophobicContact CG1-CG2 4.05Å; V22-V43 HydrophobicContact CG2-CG1 3.81Å; I32-V43 HydrophobicContact CD1-CG1 3.87Å; I32-V43 HydrophobicContact CG1-CG1 4.18Å; I32-V43 HydrophobicContact CG2-CB 4.37Å; I32-V43 HydrophobicContact CG2-CG1 3.96Å; L35-V43 HydrophobicContact CD1-CG2 4.22Å; I39-V43 WeakPolarHBondContact O-CG2 3.37Å; I39-V43 PolarHBondContact O-N 3.41Å; Q40-V43 PolarHBondContact O-N 3.42Å; F41-V43 VanDerWaalsContact C-N 3.32Å; F41-V43 PolarHBondContact O-N 3.25Å; V43-K46 PolarHBondContact O-N 2.74Å; V43-L47 PolarHBondContact O-N 3.25Å
44Y97.1Very high95Very high1 Ų149.4 Ų49.40%0.00427%0.273CS..Hα-helixtrans-68.5-38.3178.4-65.5-17.7000113I32 Q40 F41 K46 L47 Y48 L56 E59 F60 V65 V69I32-Y44 HydrophobicContact CG2-CD1 4.48Å; I32-Y44 HydrophobicContact CG2-CE1 3.7Å; Q40-Y44 HydrophobicContact CG-CD2 4.14Å; Q40-Y44 HydrophobicContact CG-CE1 4.38Å; Q40-Y44 HydrophobicContact CG-CE2 3.57Å; Q40-Y44 PolarHBondContact NE2-OH 3.15Å; Q40-Y44 PolarHBondContact O-N 3.21Å; Q40-Y44 VanDerWaalsContact O-N 3.1Å; F41-Y44 CarbonylContact O-C 3.53Å; F41-Y44 PolarHBondContact O-N 2.91Å; F41-Y44 VanDerWaalsContact O-N 3.08Å; Y44-K46 VanDerWaalsContact C-N 3.33Å; Y44-L47 HydrophobicContact CD1-CD1 4.06Å; Y44-L47 WeakPolarHBondContact O-CB 3.34Å; Y44-L47 PolarHBondContact O-N 2.65Å; Y44-Y48 PolarHBondContact O-N 2.74Å; Y44-Y48 VanDerWaalsContact O-N 3.08Å; Y44-L56 HydrophobicContact CG-CD1 4.24Å; Y44-L56 WeakPolarHBondContact O-CD1 3.48Å; Y44-E59 HydrophobicContact CE1-CB 4.21Å; Y44-E59 HydrophobicContact CE1-CG 3.8Å; Y44-E59 HydrophobicContact CE2-CB 4.45Å; Y44-E59 PolarHBondContact OH-OE2 3.45Å; Y44-F60 AromaticContact CD2-CE1 3.8Å; Y44-F60 HydrophobicContact CD2-CE1 3.8Å; Y44-F60 HydrophobicContact CG-CE1 4.19Å; Y44-V65 HydrophobicContact CE2-CG1 3.63Å; Y44-V65 VanDerWaalsContact OH-CG1 3.23Å; Y44-V65 WeakPolarHBondContact OH-CG1 3.17Å; Y44-V69 HydrophobicContact CD2-CG2 3.63Å; Y44-V69 HydrophobicContact CE2-CG2 3.7Å
45Y96.1Very high95.2Very high51 Ų5147.6 Ų47.620%0.226%0.255CS..Hα-helixtrans-65-39.1173.9-170.1-104.8000111F41 D42 Y48 Q49 L78 C82F41-Y45 HydrophobicContact CE1-CD2 4.18Å; F41-Y45 HydrophobicContact CE1-CG 4.28Å; F41-Y45 WeakPolarHBondContact O-CB 3.16Å; F41-Y45 PolarHBondContact O-N 3.05Å; D42-Y45 PolarHBondContact O-N 3.08Å; Y45-Y48 HydrophobicContact CD2-CD1 4.18Å; Y45-Y48 AromaticContact CE2-CD1 3.86Å; Y45-Y48 HydrophobicContact CE2-CD1 3.86Å; Y45-Y48 HydrophobicContact CE2-CE1 4.16Å; Y45-Y48 WeakPolarHBondContact O-CA 3.3Å; Y45-Y48 VanDerWaalsContact O-CB 3.29Å; Y45-Y48 WeakPolarHBondContact O-CB 3.32Å; Y45-Y48 PolarHBondContact O-N 2.94Å; Y45-Y48 VanDerWaalsContact O-N 3.16Å; Y45-Q49 HydrophobicContact CD1-CG 4.08Å; Y45-Q49 VanDerWaalsContact CE1-CD 3.5Å; Y45-Q49 HydrophobicContact CE1-CG 3.81Å; Y45-Q49 VanDerWaalsContact CE1-NE2 3.34Å; Y45-Q49 WeakPolarHBondContact O-CG 3.37Å; Y45-Q49 PolarHBondContact O-N 2.82Å; Y45-L78 HydrophobicContact CD2-CB 3.96Å; Y45-L78 HydrophobicContact CD2-CD1 4.43Å; Y45-L78 HydrophobicContact CE2-CB 3.82Å; Y45-L78 HydrophobicContact CE2-CD1 4.34Å; Y45-L78 HydrophobicContact CE2-CD2 3.88Å; Y45-L78 HydrophobicContact CE2-CG 4.22Å; Y45-C82 WeakPolarHBondContact CD2-SG 3.43Å
46K95.8Very high95.3Very high30 Ų3045.2 Ų45.213%0.1324%0.242CC..Hα-helixtrans-67.1-35.7174.3-169.976.3173.2-162.80112.3E11 I18 S19 V22 D42 V43 Y44 Y48 Q49 Q50E11-K46 IonicContact OE1-NZ 3.34Å; E11-K46 PolarHBondContact OE1-NZ 3.43Å; I18-K46 HydrophobicContact CG2-CB 3.67Å; I18-K46 HydrophobicContact CG2-CG 3.97Å; S19-K46 WeakPolarHBondContact OG-CE 3.49Å; S19-K46 PolarHBondContact OG-NZ 3.4Å; V22-K46 HydrophobicContact CG2-CB 3.97Å; V22-K46 HydrophobicContact CG2-CG 4.03Å; D42-K46 WeakPolarHBondContact O-CB 3.41Å; D42-K46 PolarHBondContact O-N 2.49Å; V43-K46 PolarHBondContact O-N 2.74Å; Y44-K46 VanDerWaalsContact C-N 3.33Å; K46-Y48 VanDerWaalsContact C-N 3.3Å; K46-Y48 PolarHBondContact O-N 2.91Å; K46-Q49 PolarHBondContact O-N 3.36Å; K46-Q50 WeakPolarHBondContact O-CG 3.29Å; K46-Q50 PolarHBondContact O-N 3.1Å
47L96.3Very high95.4Very high0 Ų041.8 Ų41.80%022%0.221CC..Hα-helixtrans-57.5-44.2169.1-74.3170000111.4V22 Y25 V43 Y44 Q50 G51 R52 L56V22-L47 HydrophobicContact CG1-CD2 3.7Å; V22-L47 HydrophobicContact CG1-CG 4.28Å; V22-L47 HydrophobicContact CG2-CG 4.37Å; Y25-L47 HydrophobicContact CD2-CD1 3.88Å; Y25-L47 HydrophobicContact CD2-CD2 4.13Å; Y25-L47 HydrophobicContact CD2-CG 4.45Å; Y25-L47 HydrophobicContact CE2-CD1 3.62Å; Y25-L47 HydrophobicContact CG-CD2 4.29Å; V43-L47 PolarHBondContact O-N 3.25Å; Y44-L47 HydrophobicContact CD1-CD1 4.06Å; Y44-L47 WeakPolarHBondContact O-CB 3.34Å; Y44-L47 PolarHBondContact O-N 2.65Å; L47-Q50 PolarHBondContact O-N 3.33Å; L47-G51 PolarHBondContact O-N 3.02Å; L47-R52 HydrophobicContact CB-CB 4.35Å; L47-R52 HydrophobicContact CD2-CB 3.9Å; L47-R52 WeakPolarHBondContact O-CB 3.19Å; L47-R52 PolarHBondContact O-N 2.85Å; L47-L56 HydrophobicContact CB-CB 4.42Å
48Y95.4Very high95.6Very high70 Ų7040.4 Ų40.428%0.27522%0.223SC..Hα-helixtrans-60.2-50.3174.3162.4-107.9000111.8Y44 Y45 K46 Q50 G51 L53 C82 A85Y44-Y48 PolarHBondContact O-N 2.74Å; Y44-Y48 VanDerWaalsContact O-N 3.08Å; Y45-Y48 HydrophobicContact CD2-CD1 4.18Å; Y45-Y48 AromaticContact CE2-CD1 3.86Å; Y45-Y48 HydrophobicContact CE2-CD1 3.86Å; Y45-Y48 HydrophobicContact CE2-CE1 4.16Å; Y45-Y48 WeakPolarHBondContact O-CA 3.3Å; Y45-Y48 VanDerWaalsContact O-CB 3.29Å; Y45-Y48 WeakPolarHBondContact O-CB 3.32Å; Y45-Y48 PolarHBondContact O-N 2.94Å; Y45-Y48 VanDerWaalsContact O-N 3.16Å; K46-Y48 VanDerWaalsContact C-N 3.3Å; K46-Y48 PolarHBondContact O-N 2.91Å; Y48-Q50 PolarHBondContact O-N 2.95Å; Y48-G51 PolarHBondContact O-N 3.34Å; Y48-L53 HydrophobicContact CD2-CD2 3.94Å; Y48-C82 VanDerWaalsContact CD1-SG 3.6Å; Y48-C82 HydrophobicContact CG-CB 4.45Å; Y48-C82 VanDerWaalsContact CG-SG 3.57Å; Y48-A85 HydrophobicContact CD2-CB 3.94Å; Y48-A85 HydrophobicContact CE2-CB 3.41Å; Y48-A85 VanDerWaalsContact CE2-CB 3.41Å
49Q94.5Very high95.8Very high113 Ų11337.2 Ų37.253%0.52821%0.205SC..Hα-helixtrans-59-32.7179.5-71.3-177.6-45.300113Y45 K46 G51Y45-Q49 HydrophobicContact CD1-CG 4.08Å; Y45-Q49 VanDerWaalsContact CE1-CD 3.5Å; Y45-Q49 HydrophobicContact CE1-CG 3.81Å; Y45-Q49 VanDerWaalsContact CE1-NE2 3.34Å; Y45-Q49 WeakPolarHBondContact O-CG 3.37Å; Y45-Q49 PolarHBondContact O-N 2.82Å; K46-Q49 PolarHBondContact O-N 3.36Å; Q49-G51 VanDerWaalsContact C-N 3.28Å; Q49-G51 PolarHBondContact O-N 3.28Å
50Q94.5Very high95.9Very high74 Ų7434.4 Ų34.435%0.34619%0.191SC..THydrogen-bonded Turntrans-83.96174.9-68.3-174.1-7.800113.8K46 L47 Y48 R52K46-Q50 WeakPolarHBondContact O-CG 3.29Å; K46-Q50 PolarHBondContact O-N 3.1Å; L47-Q50 PolarHBondContact O-N 3.33Å; Y48-Q50 PolarHBondContact O-N 2.95Å; Q50-R52 VanDerWaalsContact C-N 3.27Å; Q50-R52 HydrophobicContact CB-CG 4Å; Q50-R52 PolarHBondContact O-N 3.1Å; Q50-R52 VanDerWaalsContact OE1-CD 3.24Å
51G94Very high96Very high54 Ų5435.7 Ų35.756%0.55720%0.2SC*.THydrogen-bonded Turntrans7116-179.900000114.8L47 Y48 Q49 L53L47-G51 PolarHBondContact O-N 3.02Å; Y48-G51 PolarHBondContact O-N 3.34Å; Q49-G51 VanDerWaalsContact C-N 3.28Å; Q49-G51 PolarHBondContact O-N 3.28Å; G51-L53 PolarHBondContact O-N 3.38Å
52R95.9Very high96.1Very high57 Ų5740.1 Ų40.122%0.21522%0.221CC..  trans-84.450.9-174-60.7175.762.9170-3.9112.1V22 L47 Q50 C54 Q55 L56V22-R52 VanDerWaalsContact CG1-NH1 3.31Å; V22-R52 PolarHBondContact O-NH1 2.87Å; V22-R52 PolarHBondContact O-NH2 3.47Å; L47-R52 HydrophobicContact CB-CB 4.35Å; L47-R52 HydrophobicContact CD2-CB 3.9Å; L47-R52 WeakPolarHBondContact O-CB 3.19Å; L47-R52 PolarHBondContact O-N 2.85Å; Q50-R52 VanDerWaalsContact C-N 3.27Å; Q50-R52 HydrophobicContact CB-CG 4Å; Q50-R52 PolarHBondContact O-N 3.1Å; Q50-R52 VanDerWaalsContact OE1-CD 3.24Å; R52-C54 VanDerWaalsContact C-N 3.35Å; R52-C54 PolarHBondContact O-N 2.96Å; R52-Q55 PolarHBondContact O-N 3.42Å; R52-L56 PolarHBondContact O-N 3.46Å
53L95.2Very high96.2Very high23 Ų2339.3 Ų39.312%0.1222%0.216CC..Hα-helixtrans-64.2-31.6-169-61.4-177.4000114Y48 G51 Q55 L56 G57 L86 H89Y48-L53 HydrophobicContact CD2-CD2 3.94Å; G51-L53 PolarHBondContact O-N 3.38Å; L53-Q55 VanDerWaalsContact C-N 3.35Å; L53-Q55 PolarHBondContact O-N 3.49Å; L53-L56 HydrophobicContact CD2-CD2 4.44Å; L53-L56 PolarHBondContact O-N 2.98Å; L53-G57 PolarHBondContact O-N 2.99Å; L53-L86 HydrophobicContact CB-CD2 4.11Å; L53-L86 HydrophobicContact CD2-CD2 4.26Å; L53-L86 VanDerWaalsContact O-CD2 3.29Å; L53-L86 WeakPolarHBondContact O-CD2 3.36Å; L53-H89 HydrophobicContact CD1-CB 4.32Å; L53-H89 WeakPolarHBondContact CD1-CE1 3.21Å; L53-H89 VanDerWaalsContact CD1-ND1 3.29Å; L53-H89 WeakPolarHBondContact CD1-ND1 3.5Å
54C95.1Very high96.1Very high120 Ų12044.8 Ų44.881%0.81124%0.242SC*.Hα-helixtrans-63-41.2176.2-60.70000112.3R52 G58R52-C54 VanDerWaalsContact C-N 3.35Å; R52-C54 PolarHBondContact O-N 2.96Å; C54-G58 PolarHBondContact O-N 3.26Å
55Q95.8Very high96.1Very high53 Ų5345.2 Ų45.225%0.24825%0.245CC..Hα-helixtrans-72.3-43.5179.8-68.5176.5-37.500111Y25 R52 L53 G58 E59Y25-Q55 HydrophobicContact CD1-CB 4.3Å; Y25-Q55 HydrophobicContact CD1-CG 4.25Å; Y25-Q55 HydrophobicContact CE1-CB 3.93Å; Y25-Q55 HydrophobicContact CE1-CG 4.17Å; R52-Q55 PolarHBondContact O-N 3.42Å; L53-Q55 VanDerWaalsContact C-N 3.35Å; L53-Q55 PolarHBondContact O-N 3.49Å; Q55-G58 PolarHBondContact O-N 3.42Å; Q55-E59 PolarHBondContact O-N 3.35Å
56L97.2Very high96.1Very high0 Ų042.8 Ų42.80%024%0.235CC..Hα-helixtrans-60.7-46.2174.8-177.165.3000111.7Y44 L47 R52 L53 G58 E59 F60 C82 L86Y44-L56 HydrophobicContact CG-CD1 4.24Å; Y44-L56 WeakPolarHBondContact O-CD1 3.48Å; L47-L56 HydrophobicContact CB-CB 4.42Å; R52-L56 PolarHBondContact O-N 3.46Å; L53-L56 HydrophobicContact CD2-CD2 4.44Å; L53-L56 PolarHBondContact O-N 2.98Å; L56-G58 VanDerWaalsContact C-N 3.29Å; L56-G58 PolarHBondContact O-N 3.26Å; L56-E59 PolarHBondContact O-N 3.16Å; L56-F60 HydrophobicContact CD1-CD1 3.85Å; L56-F60 HydrophobicContact CD1-CE1 3.49Å; L56-F60 VanDerWaalsContact CD1-CE1 3.49Å; L56-F60 HydrophobicContact CD1-CE2 4.39Å; L56-F60 HydrophobicContact CD1-CG 4.45Å; L56-F60 HydrophobicContact CD1-CZ 3.79Å; L56-F60 HydrophobicContact CG-CD1 4.4Å; L56-F60 HydrophobicContact CG-CE1 4.36Å; L56-F60 HydrophobicContact CG-CZ 4.46Å; L56-F60 PolarHBondContact O-N 3.39Å; L56-C82 HydrophobicContact CD2-CB 4.29Å; L56-L86 HydrophobicContact CB-CD2 4.29Å; L56-L86 HydrophobicContact CD2-CD1 4.24Å; L56-L86 HydrophobicContact CD2-CD2 4.22Å; L56-L86 HydrophobicContact CD2-CG 4.28Å; L56-L86 HydrophobicContact CG-CD1 4.1Å; L56-L86 HydrophobicContact CG-CD2 4.28Å
57G97.1Very high96.1Very high3 Ų341.8 Ų41.83%0.03123%0.232CC..Hα-helixtrans-60-39.2176.400000112.4L53 E59 F60 C61L53-G57 PolarHBondContact O-N 2.99Å; G57-E59 VanDerWaalsContact C-N 3.28Å; G57-E59 PolarHBondContact O-N 2.98Å; G57-F60 PolarHBondContact O-N 2.62Å; G57-C61 WeakPolarHBondContact O-CB 3.45Å; G57-C61 PolarHBondContact O-N 2.91Å; G57-C61 PolarHBondContact O-SG 2.81Å
58G96.3Very high96.1Very high32 Ų3243.3 Ų43.333%0.3324%0.239SC..Hα-helixtrans-61.4-32.2172.900000113.9C54 Q55 L56C54-G58 PolarHBondContact O-N 3.26Å; Q55-G58 PolarHBondContact O-N 3.42Å; L56-G58 VanDerWaalsContact C-N 3.29Å; L56-G58 PolarHBondContact O-N 3.26Å
59E96.9Very high96.1Very high1 Ų140 Ų401%0.00523%0.226CC..Hα-helixtrans-79.8-43173-66.4-53.1125.100112.7Y25 R29 R33 Y44 Q55 L56 G57 C61 E62 V65Y25-E59 WeakPolarHBondContact OH-CG 3.41Å; Y25-E59 PolarHBondContact OH-OE1 3.11Å; R29-E59 IonicContact CZ-OE1 3.2Å; R29-E59 IonicContact NE-OE1 2.69Å; R29-E59 PolarHBondContact NE-OE1 3.04Å; R29-E59 IonicContact NH2-OE1 2.84Å; R29-E59 PolarHBondContact NH2-OE1 3.3Å; R33-E59 IonicContact CZ-OE1 3.95Å; R33-E59 IonicContact CZ-OE2 2.81Å; R33-E59 VanDerWaalsContact CZ-OE2 3.27Å; R33-E59 IonicContact NE-OE1 2.84Å; R33-E59 IonicContact NE-OE2 3.49Å; R33-E59 PolarHBondContact NE-OE2 3.44Å; R33-E59 IonicContact NH2-OE1 3.12Å; R33-E59 PolarHBondContact NH2-OE1 2.88Å; R33-E59 VanDerWaalsContact NH2-OE1 3.12Å; R33-E59 IonicContact NH2-OE2 2.86Å; R33-E59 PolarHBondContact NH2-OE2 3.34Å; Y44-E59 HydrophobicContact CE1-CB 4.21Å; Y44-E59 HydrophobicContact CE1-CG 3.8Å; Y44-E59 HydrophobicContact CE2-CB 4.45Å; Y44-E59 PolarHBondContact OH-OE2 3.45Å; Q55-E59 PolarHBondContact O-N 3.35Å; L56-E59 PolarHBondContact O-N 3.16Å; G57-E59 VanDerWaalsContact C-N 3.28Å; G57-E59 PolarHBondContact O-N 2.98Å; E59-C61 VanDerWaalsContact C-N 3.25Å; E59-C61 PolarHBondContact O-N 2.91Å; E59-E62 WeakPolarHBondContact O-CB 3.4Å; E59-E62 PolarHBondContact O-N 2.91Å; E59-E62 VanDerWaalsContact O-N 3.08Å; E59-V65 HydrophobicContact CB-CG1 4.12Å
60F97.6Very high96.1Very high1 Ų135.1 Ų35.10%0.00420%0.204CC..Hα-helixtrans-71.5-21.7-175.1-82.825.1000112.8Y44 L56 G57 E62 F66 V69 L79 C82 L86 V93 L97Y44-F60 AromaticContact CD2-CE1 3.8Å; Y44-F60 HydrophobicContact CD2-CE1 3.8Å; Y44-F60 HydrophobicContact CG-CE1 4.19Å; L56-F60 HydrophobicContact CD1-CD1 3.85Å; L56-F60 HydrophobicContact CD1-CE1 3.49Å; L56-F60 VanDerWaalsContact CD1-CE1 3.49Å; L56-F60 HydrophobicContact CD1-CE2 4.39Å; L56-F60 HydrophobicContact CD1-CG 4.45Å; L56-F60 HydrophobicContact CD1-CZ 3.79Å; L56-F60 HydrophobicContact CG-CD1 4.4Å; L56-F60 HydrophobicContact CG-CE1 4.36Å; L56-F60 HydrophobicContact CG-CZ 4.46Å; L56-F60 PolarHBondContact O-N 3.39Å; G57-F60 PolarHBondContact O-N 2.62Å; F60-E62 VanDerWaalsContact C-N 3.28Å; F60-F66 HydrophobicContact CB-CD2 3.98Å; F60-F66 HydrophobicContact CB-CE2 4.22Å; F60-F66 HydrophobicContact CD1-CD2 4.34Å; F60-F66 HydrophobicContact CD2-CD2 4.17Å; F60-F66 AromaticContact CD2-CE2 3.69Å; F60-F66 HydrophobicContact CD2-CE2 3.69Å; F60-F66 HydrophobicContact CE2-CE2 4.16Å; F60-F66 AromaticContact CG-CD2 3.92Å; F60-F66 HydrophobicContact CG-CD2 3.92Å; F60-F66 AromaticContact CG-CE2 3.94Å; F60-F66 HydrophobicContact CG-CE2 3.94Å; F60-F66 WeakPolarHBondContact O-CD2 3.3Å; F60-V69 HydrophobicContact CE1-CG1 4.4Å; F60-V69 HydrophobicContact CE1-CG2 4.15Å; F60-V69 HydrophobicContact CZ-CG1 4.27Å; F60-L79 HydrophobicContact CE2-CD1 3.62Å; F60-L79 HydrophobicContact CZ-CD1 3.83Å; F60-C82 HydrophobicContact CE2-CB 4.01Å; F60-C82 HydrophobicContact CZ-CB 4.36Å; F60-L86 HydrophobicContact CB-CD1 3.93Å; F60-L86 HydrophobicContact CD2-CD1 3.47Å; F60-L86 VanDerWaalsContact CD2-CD1 3.47Å; F60-L86 HydrophobicContact CE2-CD1 4.24Å; F60-L86 HydrophobicContact CG-CD1 3.92Å; F60-V93 HydrophobicContact CB-CG1 4.01Å; F60-V93 HydrophobicContact CB-CG2 4.45Å; F60-L97 WeakPolarHBondContact O-CD2 3.01Å
61C97.8Very high96.1Very high29 Ų2938.2 Ų38.220%0.19621%0.212CC..THydrogen-bonded Turntrans-74.1-14.7171.1-77.10000113.7G57 E59 V96G57-C61 WeakPolarHBondContact O-CB 3.45Å; G57-C61 PolarHBondContact O-N 2.91Å; G57-C61 PolarHBondContact O-SG 2.81Å; E59-C61 VanDerWaalsContact C-N 3.25Å; E59-C61 PolarHBondContact O-N 2.91Å; C61-V96 HydrophobicContact CB-CG1 3.89Å
62E97.4Very high96Very high94 Ų9435.9 Ų35.944%0.43919%0.187SC..SBendtrans-86.1116.1179-68.3-69.4162.500110.6E59 F60 E64 V65 F66E59-E62 WeakPolarHBondContact O-CB 3.4Å; E59-E62 PolarHBondContact O-N 2.91Å; E59-E62 VanDerWaalsContact O-N 3.08Å; F60-E62 VanDerWaalsContact C-N 3.28Å; E62-E64 VanDerWaalsContact C-N 3.33Å; E62-E64 PolarHBondContact O-N 2.83Å; E62-V65 HydrophobicContact CB-CB 3.95Å; E62-V65 HydrophobicContact CB-CG2 3.77Å; E62-V65 PolarHBondContact O-N 3.26Å; E62-V65 VanDerWaalsContact O-N 3.09Å; E62-F66 PolarHBondContact O-N 3.02Å
63L97.1Very high95.3Very high18 Ų1837.7 Ų37.79%0.09421%0.209CC..Hα-helixtrans-56.3-43.1-170.8-172.466.4000113.5A67 L97 F101 F122 L126L63-A67 VanDerWaalsContact O-CB 3.31Å; L63-A67 WeakPolarHBondContact O-CB 3.25Å; L63-A67 PolarHBondContact O-N 2.87Å; L63-L97 HydrophobicContact CB-CD2 4.47Å; L63-L97 HydrophobicContact CD1-CD2 4.01Å; L63-F101 HydrophobicContact CD1-CB 4.13Å; L63-F101 HydrophobicContact CD2-CB 4.25Å; L63-F122 HydrophobicContact CD1-CE1 3.7Å; L63-F122 HydrophobicContact CD1-CZ 3.71Å; L63-F122 HydrophobicContact CD2-CE1 4.1Å; L63-F122 HydrophobicContact CG-CE1 3.78Å; L63-F122 HydrophobicContact CG-CZ 4.03Å; L63-L126 HydrophobicContact CD1-CD2 3.85Å
64E95.3Very high94.8Very high117 Ų11741.3 Ų41.355%0.54723%0.228SC..Hα-helixtrans-71.1-34.9-179.7-64.1-59153.800112.7E62 K68 R104E62-E64 VanDerWaalsContact C-N 3.33Å; E62-E64 PolarHBondContact O-N 2.83Å; E64-K68 PolarHBondContact O-N 3.31Å; E64-R104 IonicContact OE1-CZ 2.64Å; E64-R104 IonicContact OE1-NH1 3.79Å; E64-R104 PolarHBondContact OE1-NH1 2.98Å; E64-R104 IonicContact OE1-NH2 3.91Å
65V96.4Very high94.5Very high10 Ų1036.6 Ų36.66%0.06119%0.194CC..Hα-helixtrans-68.2-46.3175.8177.70000109.3R33 Y44 E59 E62 A67 K68 V69R33-V65 HydrophobicContact CG-CG2 4.31Å; Y44-V65 HydrophobicContact CE2-CG1 3.63Å; Y44-V65 VanDerWaalsContact OH-CG1 3.23Å; Y44-V65 WeakPolarHBondContact OH-CG1 3.17Å; E59-V65 HydrophobicContact CB-CG1 4.12Å; E62-V65 HydrophobicContact CB-CB 3.95Å; E62-V65 HydrophobicContact CB-CG2 3.77Å; E62-V65 PolarHBondContact O-N 3.26Å; E62-V65 VanDerWaalsContact O-N 3.09Å; V65-A67 VanDerWaalsContact C-N 3.32Å; V65-A67 PolarHBondContact O-N 2.73Å; V65-K68 WeakPolarHBondContact O-CB 3.41Å; V65-K68 PolarHBondContact O-N 3.13Å; V65-K68 VanDerWaalsContact O-N 3.12Å; V65-V69 WeakPolarHBondContact O-CG2 3.46Å; V65-V69 PolarHBondContact O-N 3.17Å
66F97.4Very high94.1Very high0 Ų036.9 Ų36.90%019%0.193CC..Hα-helixtrans-65.1-37.2178.2-157-97.5000112F60 E62 K68 V69 L70 L79 F83 L97 L126 F129F60-F66 HydrophobicContact CB-CD2 3.98Å; F60-F66 HydrophobicContact CB-CE2 4.22Å; F60-F66 HydrophobicContact CD1-CD2 4.34Å; F60-F66 HydrophobicContact CD2-CD2 4.17Å; F60-F66 AromaticContact CD2-CE2 3.69Å; F60-F66 HydrophobicContact CD2-CE2 3.69Å; F60-F66 HydrophobicContact CE2-CE2 4.16Å; F60-F66 AromaticContact CG-CD2 3.92Å; F60-F66 HydrophobicContact CG-CD2 3.92Å; F60-F66 AromaticContact CG-CE2 3.94Å; F60-F66 HydrophobicContact CG-CE2 3.94Å; F60-F66 WeakPolarHBondContact O-CD2 3.3Å; E62-F66 PolarHBondContact O-N 3.02Å; F66-K68 PolarHBondContact O-N 3.43Å; F66-V69 WeakPolarHBondContact O-CB 3.43Å; F66-V69 PolarHBondContact O-N 2.91Å; F66-L70 HydrophobicContact CD1-CD1 3.66Å; F66-L70 HydrophobicContact CD1-CD2 4.41Å; F66-L70 HydrophobicContact CD1-CG 3.86Å; F66-L70 HydrophobicContact CE1-CD1 3.82Å; F66-L70 HydrophobicContact CE1-CD2 3.83Å; F66-L70 HydrophobicContact CE1-CG 3.79Å; F66-L70 VanDerWaalsContact O-CG 3.3Å; F66-L70 WeakPolarHBondContact O-CG 3.3Å; F66-L70 PolarHBondContact O-N 3.08Å; F66-L79 HydrophobicContact CE2-CD1 4.16Å; F66-L79 HydrophobicContact CZ-CD1 4.28Å; F66-F83 HydrophobicContact CE2-CD2 4.45Å; F66-F83 HydrophobicContact CZ-CD2 4.26Å; F66-L97 HydrophobicContact CB-CD1 4.14Å; F66-L97 HydrophobicContact CB-CD2 3.84Å; F66-L97 HydrophobicContact CD1-CD1 3.42Å; F66-L97 VanDerWaalsContact CD1-CD1 3.42Å; F66-L97 HydrophobicContact CD2-CD1 3.94Å; F66-L97 HydrophobicContact CE1-CD1 3.71Å; F66-L97 HydrophobicContact CE2-CD1 4.2Å; F66-L97 HydrophobicContact CG-CD1 3.54Å; F66-L97 HydrophobicContact CG-CD2 4.19Å; F66-L97 HydrophobicContact CZ-CD1 4.1Å; F66-L126 HydrophobicContact CD1-CD1 3.99Å; F66-L126 HydrophobicContact CE1-CD1 4.12Å; F66-F129 AromaticContact CE1-CD1 3.73Å; F66-F129 HydrophobicContact CE1-CD1 3.73Å; F66-F129 AromaticContact CE1-CE1 3.87Å; F66-F129 HydrophobicContact CE1-CE1 3.87Å; F66-F129 AromaticContact CZ-CD1 3.81Å; F66-F129 HydrophobicContact CZ-CD1 3.81Å; F66-F129 AromaticContact CZ-CE1 3.43Å; F66-F129 HydrophobicContact CZ-CE1 3.43Å; F66-F129 VanDerWaalsContact CZ-CE1 3.43Å; F66-F129 HydrophobicContact CZ-CZ 4.01Å
67A96Very high93.6Very high9 Ų941.5 Ų41.57%0.07421%0.214CC..Hα-helixtrans-57.6-35.717300000112.8L63 V65 R71 F122L63-A67 VanDerWaalsContact O-CB 3.31Å; L63-A67 WeakPolarHBondContact O-CB 3.25Å; L63-A67 PolarHBondContact O-N 2.87Å; V65-A67 VanDerWaalsContact C-N 3.32Å; V65-A67 PolarHBondContact O-N 2.73Å; A67-R71 PolarHBondContact O-NH1 2.87Å; A67-F122 HydrophobicContact CB-CD2 4.04Å; A67-F122 HydrophobicContact CB-CE1 4.44Å; A67-F122 HydrophobicContact CB-CE2 3.33Å; A67-F122 HydrophobicContact CB-CZ 3.57Å
68K95.3Very high93.3Very high32 Ų3243 Ų4314%0.13922%0.222CC..Hα-helixtrans-74.5-42.3175.8-172.4165.5170.7177.90112.2R33 L35 E37 Q40 E64 V65 F66 L70 R71R33-K68 PolarHBondContact O-NZ 3.33Å; L35-K68 WeakPolarHBondContact O-CE 3.33Å; L35-K68 PolarHBondContact O-NZ 2.89Å; E37-K68 HydrophobicContact CG-CG 3.87Å; Q40-K68 VanDerWaalsContact OE1-CE 3.23Å; E64-K68 PolarHBondContact O-N 3.31Å; V65-K68 WeakPolarHBondContact O-CB 3.41Å; V65-K68 PolarHBondContact O-N 3.13Å; V65-K68 VanDerWaalsContact O-N 3.12Å; F66-K68 PolarHBondContact O-N 3.43Å; K68-L70 VanDerWaalsContact C-N 3.26Å; K68-L70 PolarHBondContact O-N 3.33Å; K68-R71 WeakPolarHBondContact O-CB 3.42Å; K68-R71 PolarHBondContact O-N 3.23Å
69V95.3Very high93.2Very high0 Ų041.7 Ų41.70%021%0.207CC..Hα-helixtrans-56.5-40.3173.4162.70000111.9F41 Y44 F60 V65 F66 R71 A72 L79F41-V69 HydrophobicContact CD2-CG1 3.96Å; F41-V69 HydrophobicContact CE2-CG1 4.12Å; Y44-V69 HydrophobicContact CD2-CG2 3.63Å; Y44-V69 HydrophobicContact CE2-CG2 3.7Å; F60-V69 HydrophobicContact CE1-CG1 4.4Å; F60-V69 HydrophobicContact CE1-CG2 4.15Å; F60-V69 HydrophobicContact CZ-CG1 4.27Å; V65-V69 WeakPolarHBondContact O-CG2 3.46Å; V65-V69 PolarHBondContact O-N 3.17Å; F66-V69 WeakPolarHBondContact O-CB 3.43Å; F66-V69 PolarHBondContact O-N 2.91Å; V69-R71 PolarHBondContact O-N 3.49Å; V69-R71 VanDerWaalsContact O-N 3.17Å; V69-A72 PolarHBondContact O-N 3.45Å; V69-L79 HydrophobicContact CG1-CD1 3.44Å; V69-L79 VanDerWaalsContact CG1-CD1 3.44Å; V69-L79 HydrophobicContact CG1-CD2 3.78Å; V69-L79 HydrophobicContact CG1-CG 4.21Å
70L95.5Very high93.1Very high11 Ų1142 Ų426%0.05821%0.208CC..THydrogen-bonded Turntrans-64-18.3178.3-72.8168.8000114.2F66 K68 L79 F122 V125 L126 F129F66-L70 HydrophobicContact CD1-CD1 3.66Å; F66-L70 HydrophobicContact CD1-CD2 4.41Å; F66-L70 HydrophobicContact CD1-CG 3.86Å; F66-L70 HydrophobicContact CE1-CD1 3.82Å; F66-L70 HydrophobicContact CE1-CD2 3.83Å; F66-L70 HydrophobicContact CE1-CG 3.79Å; F66-L70 VanDerWaalsContact O-CG 3.3Å; F66-L70 WeakPolarHBondContact O-CG 3.3Å; F66-L70 PolarHBondContact O-N 3.08Å; K68-L70 VanDerWaalsContact C-N 3.26Å; K68-L70 PolarHBondContact O-N 3.33Å; L70-L79 HydrophobicContact CD2-CD2 3.91Å; L70-F122 HydrophobicContact CD1-CE2 4.23Å; L70-V125 HydrophobicContact CB-CG1 4.02Å; L70-V125 HydrophobicContact CD1-CG1 4.23Å; L70-L126 HydrophobicContact CD1-CB 4.34Å; L70-L126 HydrophobicContact CD1-CD1 4.14Å; L70-F129 HydrophobicContact CD2-CB 3.62Å; L70-F129 HydrophobicContact CD2-CD1 4.2Å; L70-F129 HydrophobicContact CD2-CD2 4.02Å; L70-F129 HydrophobicContact CD2-CG 3.65Å
71R94.2Very high92.7Very high139 Ų13944.4 Ų44.453%0.52522%0.219SC..THydrogen-bonded Turntrans-82-13.1177.8-66.3-168.5-64.8-93.612113.6E37 A67 K68 V69 S73E37-R71 HydrophobicContact CG-CB 3.79Å; E37-R71 IonicContact OE1-CZ 2.79Å; E37-R71 IonicContact OE1-NE 2.66Å; E37-R71 PolarHBondContact OE1-NE 3.4Å; E37-R71 IonicContact OE1-NH2 3.48Å; E37-R71 PolarHBondContact OE1-NH2 3.4Å; A67-R71 PolarHBondContact O-NH1 2.87Å; K68-R71 WeakPolarHBondContact O-CB 3.42Å; K68-R71 PolarHBondContact O-N 3.23Å; V69-R71 PolarHBondContact O-N 3.49Å; V69-R71 VanDerWaalsContact O-N 3.17Å; R71-S73 PolarHBondContact O-N 2.96Å
72A91Very high92.5Very high4 Ų443 Ų433%0.03321%0.21CC..  trans-76.966171.800000110.7N38 F41 V69 D74 K75N38-A72 WeakPolarHBondContact OD1-CB 3.48Å; F41-A72 HydrophobicContact CB-CB 4.17Å; F41-A72 HydrophobicContact CD2-CB 4.38Å; F41-A72 HydrophobicContact CG-CB 4.34Å; V69-A72 PolarHBondContact O-N 3.45Å; A72-D74 VanDerWaalsContact C-N 3.32Å; A72-D74 PolarHBondContact O-N 2.91Å; A72-K75 HydrophobicContact CB-CB 4.38Å; A72-K75 HydrophobicContact CB-CD 4.43Å; A72-K75 HydrophobicContact CB-CG 4.49Å; A72-K75 PolarHBondContact O-N 3.44Å
73S82Confident92.5Very high96 Ų9638.6 Ų38.667%0.67119%0.189SC*.G310 helixtrans-63.3-30.6-165.959.80000115R71 K75 R76R71-S73 PolarHBondContact O-N 2.96Å; S73-K75 PolarHBondContact O-N 3.25Å; S73-R76 WeakPolarHBondContact O-CB 3.28Å; S73-R76 PolarHBondContact O-N 3.34Å
74D84.7Confident92.4Very high99 Ų9938 Ų3853%0.52919%0.186SC..G310 helixtrans-69.2-19.1175.458.7-45000112.8A72A72-D74 VanDerWaalsContact C-N 3.32Å; A72-D74 PolarHBondContact O-N 2.91Å
75K87.9Confident92.3Very high21 Ų2133 Ų339%0.09117%0.165CC..G310 helixtrans-102.214.4-177.9-51.7-171.5-175-173.80113.2N38 F41 D42 A72 S73 H77 L78 L79N38-K75 PolarHBondContact O-NZ 3.38Å; F41-K75 HydrophobicContact CB-CD 4.17Å; F41-K75 HydrophobicContact CD1-CB 3.9Å; F41-K75 HydrophobicContact CD1-CD 3.29Å; F41-K75 HydrophobicContact CD1-CG 4.21Å; F41-K75 HydrophobicContact CE1-CB 3.73Å; F41-K75 HydrophobicContact CE1-CD 3.9Å; F41-K75 HydrophobicContact CE1-CG 4.42Å; F41-K75 HydrophobicContact CG-CB 4.36Å; F41-K75 HydrophobicContact CG-CD 3.86Å; F41-K75 HydrophobicContact CZ-CB 4.07Å; D42-K75 IonicContact OD1-NZ 2.8Å; D42-K75 PolarHBondContact OD1-NZ 2.99Å; D42-K75 IonicContact OD2-NZ 3.91Å; D42-K75 PolarHBondContact OD2-NZ 3.44Å; A72-K75 HydrophobicContact CB-CB 4.38Å; A72-K75 HydrophobicContact CB-CD 4.43Å; A72-K75 HydrophobicContact CB-CG 4.49Å; A72-K75 PolarHBondContact O-N 3.44Å; S73-K75 PolarHBondContact O-N 3.25Å; K75-H77 VanDerWaalsContact C-N 3.31Å; K75-H77 PolarHBondContact O-N 3.42Å; K75-L78 WeakPolarHBondContact O-CB 2.9Å; K75-L78 PolarHBondContact O-N 2.81Å; K75-L79 PolarHBondContact O-N 3.25Å
76R88.6Confident92.3Very high58 Ų5832.6 Ų32.622%0.21916%0.162CC..Hα-helixtrans-55.3-41.8-174.6-173.261.4163-148.7-10.5113.8S73 L79 H80 F129 D132S73-R76 WeakPolarHBondContact O-CB 3.28Å; S73-R76 PolarHBondContact O-N 3.34Å; R76-L79 WeakPolarHBondContact O-CB 3.22Å; R76-L79 PolarHBondContact O-N 3.34Å; R76-H80 PolarHBondContact O-CD2 3.37Å; R76-H80 PolarHBondContact O-N 3.45Å; R76-F129 VanDerWaalsContact NH2-CB 3.27Å; R76-D132 IonicContact NH2-OD2 2.93Å; R76-D132 PolarHBondContact NH2-OD2 3.39Å; R76-D132 VanDerWaalsContact NH2-OD2 3.15Å
77H85.5Confident92.1Very high97 Ų9733.8 Ų33.845%0.44917%0.168SC..Hα-helixtrans-64.5-41.4177.564.6-78.1000112K75 L79 H80 H81K75-H77 VanDerWaalsContact C-N 3.31Å; K75-H77 PolarHBondContact O-N 3.42Å; H77-L79 VanDerWaalsContact C-N 3.31Å; H77-L79 PolarHBondContact O-N 3.36Å; H77-H80 PolarHBondContact O-N 2.61Å; H77-H81 PolarHBondContact O-CD2 3.07Å; H77-H81 VanDerWaalsContact O-CD2 3.25Å; H77-H81 PolarHBondContact O-N 3.33Å
78L90.7Very high91.9Very high36 Ų3636.3 Ų36.319%0.18818%0.181CC..Hα-helixtrans-64.4-36.7173.5-57.2-178.6000111.8F41 Y45 K75 H81 C82F41-L78 HydrophobicContact CE1-CB 3.8Å; F41-L78 HydrophobicContact CE1-CD1 4.2Å; F41-L78 HydrophobicContact CZ-CB 3.79Å; Y45-L78 HydrophobicContact CD2-CB 3.96Å; Y45-L78 HydrophobicContact CD2-CD1 4.43Å; Y45-L78 HydrophobicContact CE2-CB 3.82Å; Y45-L78 HydrophobicContact CE2-CD1 4.34Å; Y45-L78 HydrophobicContact CE2-CD2 3.88Å; Y45-L78 HydrophobicContact CE2-CG 4.22Å; K75-L78 WeakPolarHBondContact O-CB 2.9Å; K75-L78 PolarHBondContact O-N 2.81Å; L78-H81 WeakPolarHBondContact O-CB 3.3Å; L78-H81 PolarHBondContact O-N 3.14Å; L78-C82 PolarHBondContact O-N 3.06Å; L78-C82 PolarHBondContact O-SG 3.11Å
79L94.6Very high91.8Very high3 Ų341 Ų412%0.01620%0.203CC..Hα-helixtrans-63.6-43.2175.9178.154.8000111.2F41 F60 F66 V69 L70 K75 R76 H77 H81 C82 F83 F129F41-L79 HydrophobicContact CE2-CB 3.77Å; F41-L79 HydrophobicContact CE2-CD1 4.06Å; F41-L79 HydrophobicContact CE2-CG 4.39Å; F41-L79 HydrophobicContact CZ-CB 4.06Å; F60-L79 HydrophobicContact CE2-CD1 3.62Å; F60-L79 HydrophobicContact CZ-CD1 3.83Å; F66-L79 HydrophobicContact CE2-CD1 4.16Å; F66-L79 HydrophobicContact CZ-CD1 4.28Å; V69-L79 HydrophobicContact CG1-CD1 3.44Å; V69-L79 VanDerWaalsContact CG1-CD1 3.44Å; V69-L79 HydrophobicContact CG1-CD2 3.78Å; V69-L79 HydrophobicContact CG1-CG 4.21Å; L70-L79 HydrophobicContact CD2-CD2 3.91Å; K75-L79 PolarHBondContact O-N 3.25Å; R76-L79 WeakPolarHBondContact O-CB 3.22Å; R76-L79 PolarHBondContact O-N 3.34Å; H77-L79 VanDerWaalsContact C-N 3.31Å; H77-L79 PolarHBondContact O-N 3.36Å; L79-H81 VanDerWaalsContact C-N 3.29Å; L79-H81 PolarHBondContact O-N 3.3Å; L79-C82 PolarHBondContact O-N 3.3Å; L79-F83 WeakPolarHBondContact O-CB 3.4Å; L79-F83 PolarHBondContact O-N 3.15Å; L79-F129 HydrophobicContact CB-CE2 4.47Å; L79-F129 HydrophobicContact CD1-CZ 4.42Å; L79-F129 HydrophobicContact CD2-CD2 4.16Å; L79-F129 HydrophobicContact CD2-CE2 3.72Å; L79-F129 HydrophobicContact CD2-CZ 4.14Å; L79-F129 HydrophobicContact CG-CE2 3.64Å; L79-F129 HydrophobicContact CG-CZ 3.82Å
80H94.1Very high91.6Very high9 Ų943.6 Ų43.64%0.04223%0.23CC..Hα-helixtrans-58.2-41.7174.8-76.8-65.5000111.7R76 H77 Q84 F129 V321 F322R76-H80 PolarHBondContact O-CD2 3.37Å; R76-H80 PolarHBondContact O-N 3.45Å; H77-H80 PolarHBondContact O-N 2.61Å; H80-Q84 VanDerWaalsContact O-CB 3.32Å; H80-Q84 WeakPolarHBondContact O-CB 3.45Å; H80-Q84 PolarHBondContact O-N 2.97Å; H80-F129 AromaticContact CE1-CD2 3.61Å; H80-F129 AromaticContact CE1-CE2 3.43Å; H80-F129 VanDerWaalsContact CE1-CE2 3.43Å; H80-F129 WeakPolarHBondContact CE1-CE2 3.49Å; H80-F129 AromaticContact ND1-CE2 3.51Å; H80-F129 AromaticContact NE2-CE2 3.93Å; H80-V321 HydrophobicContact CB-CG1 3.88Å; H80-F322 HydrophobicContact CB-CD1 4.33Å; H80-F322 HydrophobicContact CB-CE1 4.41Å; H80-F322 AromaticContact CG-CE1 3.98Å; H80-F322 AromaticContact ND1-CE1 3.79Å
81H90.4Very high91.4Very high50 Ų5044.9 Ų44.923%0.23124%0.238CC..Hα-helixtrans-61.2-52.7174.8-77.4-66.2000113.9H77 L78 L79 F83 Q84 A85 S320H77-H81 PolarHBondContact O-CD2 3.07Å; H77-H81 VanDerWaalsContact O-CD2 3.25Å; H77-H81 PolarHBondContact O-N 3.33Å; L78-H81 WeakPolarHBondContact O-CB 3.3Å; L78-H81 PolarHBondContact O-N 3.14Å; L79-H81 VanDerWaalsContact C-N 3.29Å; L79-H81 PolarHBondContact O-N 3.3Å; H81-F83 VanDerWaalsContact C-N 3.28Å; H81-F83 PolarHBondContact O-N 2.6Å; H81-Q84 PolarHBondContact O-N 3.31Å; H81-A85 WeakPolarHBondContact O-CB 3.3Å; H81-A85 PolarHBondContact O-N 2.89Å; H81-S320 PolarHBondContact CE1-O 2.95Å; H81-S320 PolarHBondContact NE2-O 3.25Å
82C93.9Very high91.5Very high1 Ų145.4 Ų45.41%0.00724%0.244CC..Hα-helixtrans-61.3-42.9-179.5-67.70000111.2Y45 Y48 L56 F60 L78 L79 A85 L86Y45-C82 WeakPolarHBondContact CD2-SG 3.43Å; Y48-C82 VanDerWaalsContact CD1-SG 3.6Å; Y48-C82 HydrophobicContact CG-CB 4.45Å; Y48-C82 VanDerWaalsContact CG-SG 3.57Å; L56-C82 HydrophobicContact CD2-CB 4.29Å; F60-C82 HydrophobicContact CE2-CB 4.01Å; F60-C82 HydrophobicContact CZ-CB 4.36Å; L78-C82 PolarHBondContact O-N 3.06Å; L78-C82 PolarHBondContact O-SG 3.11Å; L79-C82 PolarHBondContact O-N 3.3Å; C82-A85 PolarHBondContact O-N 3.27Å; C82-L86 WeakPolarHBondContact O-CG 3.48Å; C82-L86 PolarHBondContact O-N 2.73Å
83F96.1Very high91.8Very high1 Ų145.2 Ų45.20%0.00424%0.242CC..Hα-helixtrans-62.7-48.6178176-96000111.2F66 L79 H81 A85 L86 M87 V93 A94 F129 L130 A133 W135F66-F83 HydrophobicContact CE2-CD2 4.45Å; F66-F83 HydrophobicContact CZ-CD2 4.26Å; L79-F83 WeakPolarHBondContact O-CB 3.4Å; L79-F83 PolarHBondContact O-N 3.15Å; H81-F83 VanDerWaalsContact C-N 3.28Å; H81-F83 PolarHBondContact O-N 2.6Å; F83-A85 VanDerWaalsContact C-N 3.33Å; F83-A85 PolarHBondContact O-N 3.27Å; F83-L86 WeakPolarHBondContact O-CB 3.47Å; F83-L86 PolarHBondContact O-N 3.36Å; F83-M87 HydrophobicContact CD1-CG 4.21Å; F83-M87 HydrophobicContact CE1-CG 3.91Å; F83-M87 HydrophobicContact CE1-SD 4.41Å; F83-M87 HydrophobicContact CE2-SD 4.22Å; F83-M87 HydrophobicContact CZ-CG 4.11Å; F83-M87 HydrophobicContact CZ-SD 3.99Å; F83-M87 WeakPolarHBondContact O-CG 3.37Å; F83-M87 PolarHBondContact O-N 3.41Å; F83-M87 VanDerWaalsContact O-N 3.09Å; F83-V93 HydrophobicContact CD2-CB 4.31Å; F83-V93 HydrophobicContact CD2-CG1 4.03Å; F83-V93 HydrophobicContact CE2-CB 3.9Å; F83-V93 HydrophobicContact CE2-CG1 3.77Å; F83-A94 HydrophobicContact CZ-CB 4Å; F83-F129 HydrophobicContact CB-CE1 4.36Å; F83-F129 HydrophobicContact CB-CZ 3.82Å; F83-F129 HydrophobicContact CD1-CE1 4.07Å; F83-F129 AromaticContact CD1-CZ 4Å; F83-F129 HydrophobicContact CD1-CZ 4Å; F83-F129 AromaticContact CD2-CE1 3.7Å; F83-F129 HydrophobicContact CD2-CE1 3.7Å; F83-F129 HydrophobicContact CD2-CZ 4.04Å; F83-F129 HydrophobicContact CE1-CE1 4.21Å; F83-F129 AromaticContact CE2-CE1 3.88Å; F83-F129 HydrophobicContact CE2-CE1 3.88Å; F83-F129 AromaticContact CG-CE1 3.78Å; F83-F129 HydrophobicContact CG-CE1 3.78Å; F83-F129 AromaticContact CG-CZ 3.69Å; F83-F129 HydrophobicContact CG-CZ 3.69Å; F83-F129 HydrophobicContact CZ-CE1 4.12Å; F83-L130 HydrophobicContact CE2-CD2 4.23Å; F83-L130 HydrophobicContact CZ-CD2 3.86Å; F83-A133 HydrophobicContact CD1-CB 4.17Å; F83-A133 HydrophobicContact CE1-CB 3.86Å; F83-W135 AromaticContact CE1-CD1 3.39Å; F83-W135 HydrophobicContact CE1-CG 4.35Å; F83-W135 AromaticContact CE1-NE1 3.37Å; F83-W135 AromaticContact CZ-CD1 3.83Å; F83-W135 HydrophobicContact CZ-CG 4.42Å
84Q94.8Very high92.5Very high4 Ų440.7 Ų40.72%0.01921%0.211CC..Hα-helixtrans-58.8-44.8176.9-176.572.240.100111.6H80 H81 L86 M87 D88 F322 K325 N326H80-Q84 VanDerWaalsContact O-CB 3.32Å; H80-Q84 WeakPolarHBondContact O-CB 3.45Å; H80-Q84 PolarHBondContact O-N 2.97Å; H81-Q84 PolarHBondContact O-N 3.31Å; Q84-L86 PolarHBondContact O-N 3.17Å; Q84-M87 WeakPolarHBondContact O-CA 3.5Å; Q84-M87 WeakPolarHBondContact O-CB 3.21Å; Q84-M87 PolarHBondContact O-N 3.1Å; Q84-D88 PolarHBondContact NE2-OD1 3.26Å; Q84-D88 PolarHBondContact O-N 2.72Å; Q84-F322 VanDerWaalsContact CD-O 3.22Å; Q84-F322 WeakPolarHBondContact CG-O 3.44Å; Q84-F322 PolarHBondContact OE1-O 3.27Å; Q84-K325 PolarHBondContact NE2-O 2.66Å; Q84-N326 PolarHBondContact OE1-ND2 3.14Å
85A94.2Very high93.1Very high14 Ų1437.4 Ų37.412%0.11620%0.196CC..Hα-helixtrans-58.6-36.818000000112.4Y48 H81 C82 F83 H89Y48-A85 HydrophobicContact CD2-CB 3.94Å; Y48-A85 HydrophobicContact CE2-CB 3.41Å; Y48-A85 VanDerWaalsContact CE2-CB 3.41Å; H81-A85 WeakPolarHBondContact O-CB 3.3Å; H81-A85 PolarHBondContact O-N 2.89Å; C82-A85 PolarHBondContact O-N 3.27Å; F83-A85 VanDerWaalsContact C-N 3.33Å; F83-A85 PolarHBondContact O-N 3.27Å; A85-H89 PolarHBondContact O-N 3.21Å; A85-H89 PolarHBondContact O-ND1 2.6Å
86L95.6Very high93.6Very high0 Ų038.9 Ų38.90%021%0.206CC..Hα-helixtrans-66.3-44173.3-67.4172.1000111.9L53 L56 F60 C82 F83 Q84 D88 H89 G90 V91 V93L53-L86 HydrophobicContact CB-CD2 4.11Å; L53-L86 HydrophobicContact CD2-CD2 4.26Å; L53-L86 VanDerWaalsContact O-CD2 3.29Å; L53-L86 WeakPolarHBondContact O-CD2 3.36Å; L56-L86 HydrophobicContact CB-CD2 4.29Å; L56-L86 HydrophobicContact CD2-CD1 4.24Å; L56-L86 HydrophobicContact CD2-CD2 4.22Å; L56-L86 HydrophobicContact CD2-CG 4.28Å; L56-L86 HydrophobicContact CG-CD1 4.1Å; L56-L86 HydrophobicContact CG-CD2 4.28Å; F60-L86 HydrophobicContact CB-CD1 3.93Å; F60-L86 HydrophobicContact CD2-CD1 3.47Å; F60-L86 VanDerWaalsContact CD2-CD1 3.47Å; F60-L86 HydrophobicContact CE2-CD1 4.24Å; F60-L86 HydrophobicContact CG-CD1 3.92Å; C82-L86 WeakPolarHBondContact O-CG 3.48Å; C82-L86 PolarHBondContact O-N 2.73Å; F83-L86 WeakPolarHBondContact O-CB 3.47Å; F83-L86 PolarHBondContact O-N 3.36Å; Q84-L86 PolarHBondContact O-N 3.17Å; L86-D88 VanDerWaalsContact C-N 3.33Å; L86-D88 PolarHBondContact O-N 3.5Å; L86-H89 CarbonylContact O-C 3.37Å; L86-H89 PolarHBondContact O-N 2.91Å; L86-G90 PolarHBondContact O-N 3.11Å; L86-V91 HydrophobicContact CB-CB 4.06Å; L86-V91 HydrophobicContact CB-CG2 4.34Å; L86-V91 HydrophobicContact CD2-CG2 4.22Å; L86-V91 VanDerWaalsContact O-CB 3.31Å; L86-V91 WeakPolarHBondContact O-CB 3.4Å; L86-V91 WeakPolarHBondContact O-CG2 3.35Å; L86-V91 PolarHBondContact O-N 2.88Å; L86-V93 HydrophobicContact CB-CG2 4.08Å; L86-V93 HydrophobicContact CD1-CG2 3.97Å
87M94.5Very high94.1Very high25 Ų2536.1 Ų36.112%0.12320%0.196CC..Hα-helixtrans-61.8-41.9177.6-59.1-54.1-68.600111.4F83 Q84 H89 G90 V93 A94 W135F83-M87 HydrophobicContact CD1-CG 4.21Å; F83-M87 HydrophobicContact CE1-CG 3.91Å; F83-M87 HydrophobicContact CE1-SD 4.41Å; F83-M87 HydrophobicContact CE2-SD 4.22Å; F83-M87 HydrophobicContact CZ-CG 4.11Å; F83-M87 HydrophobicContact CZ-SD 3.99Å; F83-M87 WeakPolarHBondContact O-CG 3.37Å; F83-M87 PolarHBondContact O-N 3.41Å; F83-M87 VanDerWaalsContact O-N 3.09Å; Q84-M87 WeakPolarHBondContact O-CA 3.5Å; Q84-M87 WeakPolarHBondContact O-CB 3.21Å; Q84-M87 PolarHBondContact O-N 3.1Å; M87-H89 PolarHBondContact O-N 3.38Å; M87-G90 PolarHBondContact O-N 3.36Å; M87-V93 HydrophobicContact SD-CB 4.01Å; M87-V93 HydrophobicContact SD-CG2 4.43Å; M87-A94 HydrophobicContact CE-CB 3.93Å; M87-A94 HydrophobicContact SD-CB 4.43Å; M87-W135 HydrophobicContact CB-CH2 4.29Å; M87-W135 HydrophobicContact CB-CZ2 3.64Å; M87-W135 HydrophobicContact CE-CD2 3.83Å; M87-W135 HydrophobicContact CE-CE3 3.83Å; M87-W135 HydrophobicContact CE-CH2 3.38Å; M87-W135 HydrophobicContact CE-CZ2 3.36Å; M87-W135 HydrophobicContact CE-CZ3 3.62Å; M87-W135 HydrophobicContact CG-CH2 4.49Å; M87-W135 HydrophobicContact CG-CZ2 3.65Å; M87-W135 HydrophobicContact SD-CZ2 4.35Å
88D91.6Very high94.7Very high62 Ų6231.5 Ų31.533%0.33217%0.174SC..Hα-helixtrans-61.7-28.5177.1-70.7-10.5000112.6Q84 L86 G90Q84-D88 PolarHBondContact NE2-OD1 3.26Å; Q84-D88 PolarHBondContact O-N 2.72Å; L86-D88 VanDerWaalsContact C-N 3.33Å; L86-D88 PolarHBondContact O-N 3.5Å; D88-G90 VanDerWaalsContact C-N 3.3Å
89H91.9Very high95.1Very high131 Ų13133.3 Ų33.361%0.60618%0.184SC*.THydrogen-bonded Turntrans-91.112.9175.2-70.375.6000113.1L53 A85 L86 M87 V91L53-H89 HydrophobicContact CD1-CB 4.32Å; L53-H89 WeakPolarHBondContact CD1-CE1 3.21Å; L53-H89 VanDerWaalsContact CD1-ND1 3.29Å; L53-H89 WeakPolarHBondContact CD1-ND1 3.5Å; A85-H89 PolarHBondContact O-N 3.21Å; A85-H89 PolarHBondContact O-ND1 2.6Å; L86-H89 CarbonylContact O-C 3.37Å; L86-H89 PolarHBondContact O-N 2.91Å; M87-H89 PolarHBondContact O-N 3.38Å; H89-V91 VanDerWaalsContact C-N 3.3Å; H89-V91 PolarHBondContact O-N 3.24Å
90G90.9Very high95.3Very high55 Ų5535.5 Ų35.557%0.56720%0.2SC*.THydrogen-bonded Turntrans77.89.2175.500000114.8L86 M87 D88 K92L86-G90 PolarHBondContact O-N 3.11Å; M87-G90 PolarHBondContact O-N 3.36Å; D88-G90 VanDerWaalsContact C-N 3.3Å; G90-K92 PolarHBondContact O-N 3.3Å
91V93Very high95.5Very high37 Ų3735 Ų3522%0.22420%0.198CC..  trans-73.2115.1173.7-170.50000108L86 H89 V93L86-V91 HydrophobicContact CB-CB 4.06Å; L86-V91 HydrophobicContact CB-CG2 4.34Å; L86-V91 HydrophobicContact CD2-CG2 4.22Å; L86-V91 VanDerWaalsContact O-CB 3.31Å; L86-V91 WeakPolarHBondContact O-CB 3.4Å; L86-V91 WeakPolarHBondContact O-CG2 3.35Å; L86-V91 PolarHBondContact O-N 2.88Å; H89-V91 VanDerWaalsContact C-N 3.3Å; H89-V91 PolarHBondContact O-N 3.24Å; V91-V93 HydrophobicContact CB-CG2 4.12Å; V91-V93 HydrophobicContact CG1-CG2 3.51Å; V91-V93 PolarHBondContact O-N 3.22Å
92K94.9Very high95.9Very high151 Ų15134 Ų3466%0.65720%0.196SC*.  trans-80.643.8-173.1-62.1-174.8176.8-177.90113.8G90 A94 S95 V96G90-K92 PolarHBondContact O-N 3.3Å; K92-A94 VanDerWaalsContact C-N 3.34Å; K92-A94 PolarHBondContact O-N 3.46Å; K92-S95 WeakPolarHBondContact CB-OG 3.43Å; K92-S95 PolarHBondContact O-N 3.39Å; K92-S95 PolarHBondContact O-OG 3.45Å; K92-V96 WeakPolarHBondContact O-CG2 3.28Å; K92-V96 PolarHBondContact O-N 3Å
93V97.2Very high96.1Very high0 Ų042 Ų420%023%0.226CC..Hα-helixtrans-51.7-49.8-171.6-1770000111.7F60 F83 L86 M87 V91 S95 V96 L97F60-V93 HydrophobicContact CB-CG1 4.01Å; F60-V93 HydrophobicContact CB-CG2 4.45Å; F83-V93 HydrophobicContact CD2-CB 4.31Å; F83-V93 HydrophobicContact CD2-CG1 4.03Å; F83-V93 HydrophobicContact CE2-CB 3.9Å; F83-V93 HydrophobicContact CE2-CG1 3.77Å; L86-V93 HydrophobicContact CB-CG2 4.08Å; L86-V93 HydrophobicContact CD1-CG2 3.97Å; M87-V93 HydrophobicContact SD-CB 4.01Å; M87-V93 HydrophobicContact SD-CG2 4.43Å; V91-V93 HydrophobicContact CB-CG2 4.12Å; V91-V93 HydrophobicContact CG1-CG2 3.51Å; V91-V93 PolarHBondContact O-N 3.22Å; V93-S95 PolarHBondContact O-N 2.85Å; V93-V96 PolarHBondContact O-N 2.85Å; V93-L97 HydrophobicContact CG1-CD1 3.68Å; V93-L97 HydrophobicContact CG1-CG 4.15Å; V93-L97 WeakPolarHBondContact O-CB 3.41Å; V93-L97 WeakPolarHBondContact O-CG 3.4Å; V93-L97 PolarHBondContact O-N 3.35Å
94A97.3Very high96.1Very high0 Ų046.3 Ų46.30%024%0.242CC..Hα-helixtrans-51.5-56.1-18000000112.2F83 M87 K92 V96 L97 A98 L130 W135 D138F83-A94 HydrophobicContact CZ-CB 4Å; M87-A94 HydrophobicContact CE-CB 3.93Å; M87-A94 HydrophobicContact SD-CB 4.43Å; K92-A94 VanDerWaalsContact C-N 3.34Å; K92-A94 PolarHBondContact O-N 3.46Å; A94-V96 PolarHBondContact O-N 3.03Å; A94-L97 PolarHBondContact O-N 3.43Å; A94-A98 WeakPolarHBondContact O-CB 3.22Å; A94-A98 PolarHBondContact O-N 3.06Å; A94-L130 HydrophobicContact CB-CD2 3.94Å; A94-W135 HydrophobicContact CB-CB 4.12Å; A94-W135 HydrophobicContact CB-CD2 4.21Å; A94-W135 HydrophobicContact CB-CE3 4.45Å; A94-W135 HydrophobicContact CB-CG 4.04Å; A94-D138 HydrophobicContact CB-CB 4.08Å; A94-D138 VanDerWaalsContact CB-OD2 3.27Å; A94-D138 WeakPolarHBondContact CB-OD2 3.33Å
95S97.8Very high96.2Very high31 Ų3146.2 Ų46.222%0.21724%0.242CC..Hα-helixtrans-63.8-38.6-18077.10000113.4K92 V93 N99 D138K92-S95 WeakPolarHBondContact CB-OG 3.43Å; K92-S95 PolarHBondContact O-N 3.39Å; K92-S95 PolarHBondContact O-OG 3.45Å; V93-S95 PolarHBondContact O-N 2.85Å; S95-N99 WeakPolarHBondContact O-CB 3.41Å; S95-N99 PolarHBondContact O-N 3.13Å; S95-N99 PolarHBondContact O-ND2 2.83Å; S95-D138 WeakPolarHBondContact CA-OD1 3.49Å; S95-D138 PolarHBondContact N-OD1 2.83Å
96V98.5Very high96.3Very high51 Ų5149.2 Ų49.231%0.30926%0.262SS..Hα-helixtrans-65.4-45.2179.7172.40000109.8C61 K92 V93 A94 S100C61-V96 HydrophobicContact CB-CG1 3.89Å; K92-V96 WeakPolarHBondContact O-CG2 3.28Å; K92-V96 PolarHBondContact O-N 3Å; V93-V96 PolarHBondContact O-N 2.85Å; A94-V96 PolarHBondContact O-N 3.03Å; V96-S100 VanDerWaalsContact O-CB 3.27Å; V96-S100 WeakPolarHBondContact O-CB 3.43Å; V96-S100 PolarHBondContact O-N 3.27Å; V96-S100 PolarHBondContact O-OG 3.36Å
97L98.7Very high96.2Very high0 Ų057.7 Ų57.70%030%0.295CS..Hα-helixtrans-64.8-48.1177.1-69.7176.4000111.9F60 L63 F66 V93 A94 N99 S100 F101 L126F60-L97 WeakPolarHBondContact O-CD2 3.01Å; L63-L97 HydrophobicContact CB-CD2 4.47Å; L63-L97 HydrophobicContact CD1-CD2 4.01Å; F66-L97 HydrophobicContact CB-CD1 4.14Å; F66-L97 HydrophobicContact CB-CD2 3.84Å; F66-L97 HydrophobicContact CD1-CD1 3.42Å; F66-L97 VanDerWaalsContact CD1-CD1 3.42Å; F66-L97 HydrophobicContact CD2-CD1 3.94Å; F66-L97 HydrophobicContact CE1-CD1 3.71Å; F66-L97 HydrophobicContact CE2-CD1 4.2Å; F66-L97 HydrophobicContact CG-CD1 3.54Å; F66-L97 HydrophobicContact CG-CD2 4.19Å; F66-L97 HydrophobicContact CZ-CD1 4.1Å; V93-L97 HydrophobicContact CG1-CD1 3.68Å; V93-L97 HydrophobicContact CG1-CG 4.15Å; V93-L97 WeakPolarHBondContact O-CB 3.41Å; V93-L97 WeakPolarHBondContact O-CG 3.4Å; V93-L97 PolarHBondContact O-N 3.35Å; A94-L97 PolarHBondContact O-N 3.43Å; L97-N99 PolarHBondContact O-N 3.07Å; L97-S100 PolarHBondContact O-N 3.43Å; L97-F101 WeakPolarHBondContact O-CB 3.37Å; L97-F101 PolarHBondContact O-N 3.19Å; L97-L126 HydrophobicContact CB-CD1 4.34Å; L97-L126 HydrophobicContact CD1-CD1 4.18Å
98A98.7Very high96.2Very high0 Ų057.5 Ų57.50%030%0.295CS..Hα-helixtrans-62.4-41.3179.600000112.3A94 S102 L130 D138 K141 V142A94-A98 WeakPolarHBondContact O-CB 3.22Å; A94-A98 PolarHBondContact O-N 3.06Å; A98-S102 VanDerWaalsContact O-CB 3.24Å; A98-S102 WeakPolarHBondContact O-CB 3.45Å; A98-S102 PolarHBondContact O-N 2.97Å; A98-L130 HydrophobicContact CB-CD1 4.49Å; A98-D138 HydrophobicContact CB-CB 3.92Å; A98-K141 HydrophobicContact CB-CB 4.47Å; A98-K141 HydrophobicContact CB-CD 4.39Å; A98-V142 HydrophobicContact CB-CG2 3.87Å
99N98.6Very high96.2Very high75 Ų7555.8 Ų55.840%0.40129%0.289SS..Hα-helixtrans-64.7-45.3175-73.5-34000112S95 L97 S102 R103 K141S95-N99 WeakPolarHBondContact O-CB 3.41Å; S95-N99 PolarHBondContact O-N 3.13Å; S95-N99 PolarHBondContact O-ND2 2.83Å; L97-N99 PolarHBondContact O-N 3.07Å; N99-S102 PolarHBondContact O-N 3.04Å; N99-R103 WeakPolarHBondContact O-CB 3.42Å; N99-R103 PolarHBondContact O-N 3.19Å; N99-K141 WeakPolarHBondContact OD1-CE 3.24Å; N99-K141 PolarHBondContact OD1-NZ 2.93Å
100S98.4Very high96.1Very high48 Ų4858.9 Ų58.934%0.33630%0.304SS..Hα-helixtrans-64.2-42.9179.9-60.30000111.3V96 L97 R104V96-S100 VanDerWaalsContact O-CB 3.27Å; V96-S100 WeakPolarHBondContact O-CB 3.43Å; V96-S100 PolarHBondContact O-N 3.27Å; V96-S100 PolarHBondContact O-OG 3.36Å; L97-S100 PolarHBondContact O-N 3.43Å; S100-R104 WeakPolarHBondContact O-CB 3.39Å; S100-R104 PolarHBondContact O-N 3.2Å
101F98.6Very high96Very high0 Ų058.3 Ų58.30%029%0.291CS..Hα-helixtrans-63.8-46.8175.5179.4-96.5000112L63 L97 R103 R104 C105 A119 F122 L126 V142L63-F101 HydrophobicContact CD1-CB 4.13Å; L63-F101 HydrophobicContact CD2-CB 4.25Å; L97-F101 WeakPolarHBondContact O-CB 3.37Å; L97-F101 PolarHBondContact O-N 3.19Å; F101-R103 PolarHBondContact O-N 3.35Å; F101-R104 WeakPolarHBondContact O-CB 3.28Å; F101-R104 PolarHBondContact O-N 3.36Å; F101-C105 WeakPolarHBondContact CE1-SG 3.38Å; F101-C105 VanDerWaalsContact CZ-SG 3.52Å; F101-C105 PolarHBondContact O-N 3.43Å; F101-C105 PolarHBondContact O-SG 3.23Å; F101-A119 WeakPolarHBondContact CE2-O 3.32Å; F101-A119 WeakPolarHBondContact CZ-O 3.38Å; F101-F122 AromaticContact CD2-CD1 3.7Å; F101-F122 HydrophobicContact CD2-CD1 3.7Å; F101-F122 AromaticContact CD2-CE1 3.71Å; F101-F122 HydrophobicContact CD2-CE1 3.71Å; F101-F122 AromaticContact CE2-CD1 3.63Å; F101-F122 HydrophobicContact CE2-CD1 3.63Å; F101-F122 HydrophobicContact CE2-CE1 4.13Å; F101-F122 HydrophobicContact CE2-CG 4.44Å; F101-L126 HydrophobicContact CB-CD2 3.9Å; F101-L126 HydrophobicContact CD2-CD2 4.25Å; F101-L126 HydrophobicContact CG-CD2 4.08Å; F101-V142 HydrophobicContact CD1-CB 4.25Å; F101-V142 HydrophobicContact CD1-CG1 3.77Å; F101-V142 HydrophobicContact CD1-CG2 4.16Å; F101-V142 HydrophobicContact CE1-CG1 3.73Å; F101-V142 HydrophobicContact CG-CG1 4.49Å; F101-V142 HydrophobicContact CZ-CG1 4.43Å
102S98.4Very high95.8Very high27 Ų2761 Ų6119%0.18930%0.304CS..Hα-helixtrans-59.7-45.2178.5-171.30000111.6A98 N99 R104 C105 S106 S145A98-S102 VanDerWaalsContact O-CB 3.24Å; A98-S102 WeakPolarHBondContact O-CB 3.45Å; A98-S102 PolarHBondContact O-N 2.97Å; N99-S102 PolarHBondContact O-N 3.04Å; S102-R104 PolarHBondContact O-N 3.13Å; S102-C105 WeakPolarHBondContact O-CB 3.24Å; S102-C105 PolarHBondContact O-N 2.81Å; S102-C105 VanDerWaalsContact O-N 3.16Å; S102-S106 PolarHBondContact O-N 3.46Å; S102-S106 VanDerWaalsContact O-N 3.13Å; S102-S106 PolarHBondContact O-OG 2.89Å; S102-S145 WeakPolarHBondContact CA-OG 3.49Å; S102-S145 VanDerWaalsContact CB-OG 3.32Å; S102-S145 WeakPolarHBondContact CB-OG 3.4Å; S102-S145 PolarHBondContact OG-OG 3.43Å
103R98.1Very high95.5Very high169 Ų16955.3 Ų55.364%0.63829%0.286SS*.Hα-helixtrans-60.9-42.6174.7-177.7-178-74.9176.4-3.7112N99 F101 C105 S106 Y107N99-R103 WeakPolarHBondContact O-CB 3.42Å; N99-R103 PolarHBondContact O-N 3.19Å; F101-R103 PolarHBondContact O-N 3.35Å; R103-C105 VanDerWaalsContact C-N 3.32Å; R103-C105 PolarHBondContact O-N 2.94Å; R103-S106 WeakPolarHBondContact O-CB 3.24Å; R103-S106 PolarHBondContact O-N 2.85Å; R103-Y107 HydrophobicContact CG-CD2 4.14Å; R103-Y107 HydrophobicContact CG-CE2 3.46Å; R103-Y107 VanDerWaalsContact CG-CE2 3.46Å; R103-Y107 VanDerWaalsContact O-CD2 3.27Å; R103-Y107 WeakPolarHBondContact O-CD2 3.36Å; R103-Y107 PolarHBondContact O-N 3.18Å
104R97.2Very high95.1Very high92 Ų9261 Ų6135%0.34731%0.312SS..Hα-helixtrans-58.5-43.9174.1177.6-179.2178.81658.5111.5E64 S100 F101 S102 S106 Y107 I108E64-R104 IonicContact OE1-CZ 2.64Å; E64-R104 IonicContact OE1-NH1 3.79Å; E64-R104 PolarHBondContact OE1-NH1 2.98Å; E64-R104 IonicContact OE1-NH2 3.91Å; S100-R104 WeakPolarHBondContact O-CB 3.39Å; S100-R104 PolarHBondContact O-N 3.2Å; F101-R104 WeakPolarHBondContact O-CB 3.28Å; F101-R104 PolarHBondContact O-N 3.36Å; S102-R104 PolarHBondContact O-N 3.13Å; R104-S106 VanDerWaalsContact C-N 3.29Å; R104-S106 PolarHBondContact O-N 2.84Å; R104-Y107 PolarHBondContact O-N 3.25Å; R104-Y107 VanDerWaalsContact O-N 3.16Å; R104-I108 WeakPolarHBondContact O-CG1 3.3Å; R104-I108 PolarHBondContact O-N 2.98Å; R104-I108 VanDerWaalsContact O-N 3.16Å
105C96.8Very high94.9Very high3 Ų363.5 Ų63.52%0.0233%0.327CS..Hα-helixtrans-58.5-40.7177.2-66.20000111.8F101 S102 R103 Y107 I108 A109 L149F101-C105 WeakPolarHBondContact CE1-SG 3.38Å; F101-C105 VanDerWaalsContact CZ-SG 3.52Å; F101-C105 PolarHBondContact O-N 3.43Å; F101-C105 PolarHBondContact O-SG 3.23Å; S102-C105 WeakPolarHBondContact O-CB 3.24Å; S102-C105 PolarHBondContact O-N 2.81Å; S102-C105 VanDerWaalsContact O-N 3.16Å; R103-C105 VanDerWaalsContact C-N 3.32Å; R103-C105 PolarHBondContact O-N 2.94Å; C105-Y107 PolarHBondContact O-N 2.57Å; C105-I108 WeakPolarHBondContact O-CG1 3.5Å; C105-I108 PolarHBondContact O-N 3.37Å; C105-A109 PolarHBondContact O-N 3.13Å; C105-A109 VanDerWaalsContact O-N 3.15Å; C105-L149 HydrophobicContact CB-CD1 4.04Å; C105-L149 HydrophobicContact CB-CD2 4.43Å; C105-L149 HydrophobicContact CB-CG 4.26Å
106S94.9Very high94.6Very high77 Ų7762.4 Ų62.454%0.53832%0.318SS..Hα-helixtrans-61.7-40.2175.9-51.70000112.8S102 R103 R104S102-S106 PolarHBondContact O-N 3.46Å; S102-S106 VanDerWaalsContact O-N 3.13Å; S102-S106 PolarHBondContact O-OG 2.89Å; R103-S106 WeakPolarHBondContact O-CB 3.24Å; R103-S106 PolarHBondContact O-N 2.85Å; R104-S106 VanDerWaalsContact C-N 3.29Å; R104-S106 PolarHBondContact O-N 2.84Å
107Y95.1Very high94.3Very high177 Ų17761 Ų6169%0.69431%0.308SS*.Hα-helixtrans-70-30.7178.8-67-51.5000113.8R103 R104 C105R103-Y107 HydrophobicContact CG-CD2 4.14Å; R103-Y107 HydrophobicContact CG-CE2 3.46Å; R103-Y107 VanDerWaalsContact CG-CE2 3.46Å; R103-Y107 VanDerWaalsContact O-CD2 3.27Å; R103-Y107 WeakPolarHBondContact O-CD2 3.36Å; R103-Y107 PolarHBondContact O-N 3.18Å; R104-Y107 PolarHBondContact O-N 3.25Å; R104-Y107 VanDerWaalsContact O-N 3.16Å; C105-Y107 PolarHBondContact O-N 2.57Å
108I94.4Very high94.1Very high22 Ų2266.9 Ų66.911%0.11333%0.334CS..THydrogen-bonded Turntrans-96.24.2-177.869.5177000113.4R104 C105 E110 S111 V115 A119 L149R104-I108 WeakPolarHBondContact O-CG1 3.3Å; R104-I108 PolarHBondContact O-N 2.98Å; R104-I108 VanDerWaalsContact O-N 3.16Å; C105-I108 WeakPolarHBondContact O-CG1 3.5Å; C105-I108 PolarHBondContact O-N 3.37Å; I108-E110 PolarHBondContact O-N 3.07Å; I108-S111 WeakPolarHBondContact CA-OG 3.28Å; I108-S111 VanDerWaalsContact O-CB 3.26Å; I108-S111 WeakPolarHBondContact O-CB 3.48Å; I108-S111 PolarHBondContact O-N 3.32Å; I108-S111 PolarHBondContact O-OG 3.09Å; I108-V115 HydrophobicContact CB-CG1 4.11Å; I108-V115 HydrophobicContact CD1-CG1 4.38Å; I108-V115 HydrophobicContact CG2-CG1 4.15Å; I108-A119 HydrophobicContact CD1-CB 3.25Å; I108-L149 HydrophobicContact CD1-CD1 4.18Å; I108-L149 HydrophobicContact CG1-CD1 4.49Å; I108-L149 HydrophobicContact CG1-CD2 4.47Å
109A90.5Very high94Very high26 Ų2667 Ų6722%0.21534%0.335CS..THydrogen-bonded Turntrans-55.2-39-176.700000112C105 K116 L152C105-A109 PolarHBondContact O-N 3.13Å; C105-A109 VanDerWaalsContact O-N 3.15Å; A109-K116 PolarHBondContact O-NZ 3.27Å; A109-L152 HydrophobicContact CB-CD1 3.83Å
110E89.6Confident93.9Very high195 Ų19563.5 Ų63.591%0.91132%0.316SS*.THydrogen-bonded Turntrans-91.3-0.4179.1-60.9-177.8176.500113.7I108I108-E110 PolarHBondContact O-N 3.07Å
111S90.1Very high93.7Very high44 Ų4465.6 Ų65.631%0.30832%0.321SS..SBendtrans-70.2172.5174.8-57.30000111.8I108 K116I108-S111 WeakPolarHBondContact CA-OG 3.28Å; I108-S111 VanDerWaalsContact O-CB 3.26Å; I108-S111 WeakPolarHBondContact O-CB 3.48Å; I108-S111 PolarHBondContact O-N 3.32Å; I108-S111 PolarHBondContact O-OG 3.09Å; S111-K116 WeakPolarHBondContact O-CE 3.35Å; S111-K116 PolarHBondContact O-NZ 3.39Å
112D89Confident93.7Very high92 Ų9267.1 Ų67.149%0.49233%0.327SS..  trans-65.8165176.667.782.1000113H114 V115 K116D112-H114 VanDerWaalsContact C-N 3.28Å; D112-H114 PolarHBondContact O-N 3.01Å; D112-H114 WeakPolarHBondContact OD1-CA 3.45Å; D112-H114 VanDerWaalsContact OD1-CB 3.25Å; D112-H114 WeakPolarHBondContact OD1-CB 3.11Å; D112-H114 PolarHBondContact OD1-N 3.23Å; D112-V115 PolarHBondContact O-N 2.91Å; D112-V115 PolarHBondContact OD1-N 2.91Å; D112-V115 VanDerWaalsContact OD1-N 3.09Å; D112-V115 VanDerWaalsContact OD2-CG2 3.24Å; D112-V115 WeakPolarHBondContact OD2-CG2 3.39Å; D112-K116 WeakPolarHBondContact O-CE 3.48Å; D112-K116 PolarHBondContact O-N 3.36Å
113A86.7Confident93.6Very high33 Ų3365.8 Ų65.827%0.27332%0.318SS..Hα-helixtrans-61.8-32.4-175.800000113.2K116 E117A113-K116 PolarHBondContact O-N 3.08Å; A113-E117 WeakPolarHBondContact O-CB 3.18Å; A113-E117 PolarHBondContact O-N 3.13Å
114H90.1Very high93.6Very high118 Ų11858.6 Ų58.655%0.54629%0.292SS..Hα-helixtrans-71-40.1-178.8-179.266.1000111.9D112 K116 E117 K118D112-H114 VanDerWaalsContact C-N 3.28Å; D112-H114 PolarHBondContact O-N 3.01Å; D112-H114 WeakPolarHBondContact OD1-CA 3.45Å; D112-H114 VanDerWaalsContact OD1-CB 3.25Å; D112-H114 WeakPolarHBondContact OD1-CB 3.11Å; D112-H114 PolarHBondContact OD1-N 3.23Å; H114-K116 VanDerWaalsContact C-N 3.31Å; H114-K116 PolarHBondContact O-N 3.38Å; H114-E117 PolarHBondContact O-N 2.9Å; H114-K118 VanDerWaalsContact NE2-CE 3.32Å; H114-K118 WeakPolarHBondContact NE2-CE 3.29Å; H114-K118 PolarHBondContact NE2-NZ 3.18Å; H114-K118 WeakPolarHBondContact O-CG 3.48Å; H114-K118 PolarHBondContact O-N 3.28Å; H114-K118 VanDerWaalsContact O-N 3.07Å
115V92.9Very high93.6Very high53 Ų5357.6 Ų57.632%0.32130%0.296SS..Hα-helixtrans-61.3-42.7173.9173.70000110.9I108 D112 A119I108-V115 HydrophobicContact CB-CG1 4.11Å; I108-V115 HydrophobicContact CD1-CG1 4.38Å; I108-V115 HydrophobicContact CG2-CG1 4.15Å; D112-V115 PolarHBondContact O-N 2.91Å; D112-V115 PolarHBondContact OD1-N 2.91Å; D112-V115 VanDerWaalsContact OD1-N 3.09Å; D112-V115 VanDerWaalsContact OD2-CG2 3.24Å; D112-V115 WeakPolarHBondContact OD2-CG2 3.39Å; V115-A119 PolarHBondContact O-N 2.84Å; V115-A119 VanDerWaalsContact O-N 3.15Å
116K91.6Very high93.7Very high8 Ų857.4 Ų57.44%0.03530%0.295CS..Hα-helixtrans-67.4-44.1177.5-78.6179.2-77.8-1510112.9A109 S111 D112 A113 H114 K118 A119 I120 L149 H153A109-K116 PolarHBondContact O-NZ 3.27Å; S111-K116 WeakPolarHBondContact O-CE 3.35Å; S111-K116 PolarHBondContact O-NZ 3.39Å; D112-K116 WeakPolarHBondContact O-CE 3.48Å; D112-K116 PolarHBondContact O-N 3.36Å; A113-K116 PolarHBondContact O-N 3.08Å; H114-K116 VanDerWaalsContact C-N 3.31Å; H114-K116 PolarHBondContact O-N 3.38Å; K116-K118 VanDerWaalsContact C-N 3.32Å; K116-K118 PolarHBondContact O-N 3.33Å; K116-A119 WeakPolarHBondContact O-CB 3.22Å; K116-A119 PolarHBondContact O-N 2.67Å; K116-I120 WeakPolarHBondContact O-CG1 3.44Å; K116-I120 PolarHBondContact O-N 2.92Å; K116-L149 HydrophobicContact CD-CD2 4.1Å; K116-L149 HydrophobicContact CG-CD2 4.12Å; K116-H153 WeakPolarHBondContact CE-NE2 3.24Å; K116-H153 PolarHBondContact NZ-NE2 3.16Å
117E92.4Very high93.9Very high21 Ų2153.8 Ų53.810%0.09827%0.269CS..Hα-helixtrans-59.8-43.3177.3175.959.9-167.500111.3A113 H114 A119 I120 Q121 R161A113-E117 WeakPolarHBondContact O-CB 3.18Å; A113-E117 PolarHBondContact O-N 3.13Å; H114-E117 PolarHBondContact O-N 2.9Å; E117-A119 VanDerWaalsContact C-N 3.3Å; E117-A119 PolarHBondContact O-N 3.5Å; E117-I120 PolarHBondContact O-N 3.05Å; E117-Q121 WeakPolarHBondContact O-CG 3.21Å; E117-Q121 PolarHBondContact O-N 2.91Å; E117-Q121 PolarHBondContact OE1-NE2 3.5Å; E117-R161 IonicContact OE1-CZ 2.59Å; E117-R161 VanDerWaalsContact OE1-CZ 3.29Å; E117-R161 IonicContact OE1-NE 3.8Å; E117-R161 PolarHBondContact OE1-NE 3.14Å; E117-R161 IonicContact OE1-NH2 2.91Å; E117-R161 PolarHBondContact OE1-NH2 2.69Å; E117-R161 IonicContact OE2-NE 2.64Å; E117-R161 PolarHBondContact OE2-NE 3.12Å
118K94Very high94Very high125 Ų12546.1 Ų46.154%0.54324%0.244SC..Hα-helixtrans-59.4-40.5173.6-76.8-178.5174.1178.50112.5H114 K116 F122H114-K118 VanDerWaalsContact NE2-CE 3.32Å; H114-K118 WeakPolarHBondContact NE2-CE 3.29Å; H114-K118 PolarHBondContact NE2-NZ 3.18Å; H114-K118 WeakPolarHBondContact O-CG 3.48Å; H114-K118 PolarHBondContact O-N 3.28Å; H114-K118 VanDerWaalsContact O-N 3.07Å; K116-K118 VanDerWaalsContact C-N 3.32Å; K116-K118 PolarHBondContact O-N 3.33Å; K118-F122 WeakPolarHBondContact O-CB 3.34Å; K118-F122 PolarHBondContact O-N 2.9Å
119A95.8Very high94.2Very high3 Ų345.1 Ų45.13%0.02524%0.239CC..Hα-helixtrans-68.2-40.5177.300000112.3F101 I108 V115 K116 E117 F122 G123 L149F101-A119 WeakPolarHBondContact CE2-O 3.32Å; F101-A119 WeakPolarHBondContact CZ-O 3.38Å; I108-A119 HydrophobicContact CD1-CB 3.25Å; V115-A119 PolarHBondContact O-N 2.84Å; V115-A119 VanDerWaalsContact O-N 3.15Å; K116-A119 WeakPolarHBondContact O-CB 3.22Å; K116-A119 PolarHBondContact O-N 2.67Å; E117-A119 VanDerWaalsContact C-N 3.3Å; E117-A119 PolarHBondContact O-N 3.5Å; A119-F122 PolarHBondContact O-N 3.43Å; A119-G123 PolarHBondContact O-N 3.32Å; A119-L149 HydrophobicContact CB-CD1 4.13Å
120I96.3Very high94.5Very high0 Ų043.9 Ų43.90%023%0.229CC..Hα-helixtrans-61.5-48175.5-68.8161.8000110.2K116 E117 F122 G123 F124 L149 R161K116-I120 WeakPolarHBondContact O-CG1 3.44Å; K116-I120 PolarHBondContact O-N 2.92Å; E117-I120 PolarHBondContact O-N 3.05Å; I120-F122 VanDerWaalsContact C-N 3.35Å; I120-F122 PolarHBondContact O-N 2.65Å; I120-G123 CarbonylContact O-C 3.57Å; I120-G123 PolarHBondContact O-N 2.83Å; I120-G123 VanDerWaalsContact O-N 3.13Å; I120-F124 HydrophobicContact CG2-CD1 4.37Å; I120-F124 HydrophobicContact CG2-CE1 3.8Å; I120-F124 HydrophobicContact CG2-CE2 3.97Å; I120-F124 HydrophobicContact CG2-CZ 3.58Å; I120-F124 WeakPolarHBondContact O-CD1 3.39Å; I120-F124 WeakPolarHBondContact O-CG 3.21Å; I120-F124 PolarHBondContact O-N 3.47Å; I120-L149 HydrophobicContact CD1-CB 4.03Å; I120-L149 HydrophobicContact CG1-CB 4.05Å; I120-L149 HydrophobicContact CG1-CD1 4.24Å; I120-R161 HydrophobicContact CG2-CB 4.44Å; I120-R161 HydrophobicContact CG2-CG 4.49Å
121Q95.8Very high94.9Very high93 Ų9334.9 Ų34.944%0.43519%0.188SC..Hα-helixtrans-59.1-45.3177-71.8176.88.500111.8E117 G123 F124 V125E117-Q121 WeakPolarHBondContact O-CG 3.21Å; E117-Q121 PolarHBondContact O-N 2.91Å; E117-Q121 PolarHBondContact OE1-NE2 3.5Å; Q121-G123 VanDerWaalsContact C-N 3.34Å; Q121-G123 PolarHBondContact O-N 3.23Å; Q121-F124 PolarHBondContact O-N 2.73Å; Q121-V125 PolarHBondContact O-N 3.21Å
122F97.2Very high95.2Very high31 Ų3135.3 Ų35.314%0.13619%0.186CC..Hα-helixtrans-62.2-42.7174.9173.4-129.3000111.9L63 A67 L70 F101 K118 A119 I120 F124 V125 L126L63-F122 HydrophobicContact CD1-CE1 3.7Å; L63-F122 HydrophobicContact CD1-CZ 3.71Å; L63-F122 HydrophobicContact CD2-CE1 4.1Å; L63-F122 HydrophobicContact CG-CE1 3.78Å; L63-F122 HydrophobicContact CG-CZ 4.03Å; A67-F122 HydrophobicContact CB-CD2 4.04Å; A67-F122 HydrophobicContact CB-CE1 4.44Å; A67-F122 HydrophobicContact CB-CE2 3.33Å; A67-F122 HydrophobicContact CB-CZ 3.57Å; L70-F122 HydrophobicContact CD1-CE2 4.23Å; F101-F122 AromaticContact CD2-CD1 3.7Å; F101-F122 HydrophobicContact CD2-CD1 3.7Å; F101-F122 AromaticContact CD2-CE1 3.71Å; F101-F122 HydrophobicContact CD2-CE1 3.71Å; F101-F122 AromaticContact CE2-CD1 3.63Å; F101-F122 HydrophobicContact CE2-CD1 3.63Å; F101-F122 HydrophobicContact CE2-CE1 4.13Å; F101-F122 HydrophobicContact CE2-CG 4.44Å; K118-F122 WeakPolarHBondContact O-CB 3.34Å; K118-F122 PolarHBondContact O-N 2.9Å; A119-F122 PolarHBondContact O-N 3.43Å; I120-F122 VanDerWaalsContact C-N 3.35Å; I120-F122 PolarHBondContact O-N 2.65Å; F122-F124 VanDerWaalsContact C-N 3.28Å; F122-F124 PolarHBondContact O-N 3.24Å; F122-V125 PolarHBondContact O-N 3.44Å; F122-V125 VanDerWaalsContact O-N 3.12Å; F122-L126 HydrophobicContact CE1-CD2 4.38Å; F122-L126 HydrophobicContact CE2-CB 4.14Å; F122-L126 HydrophobicContact CZ-CB 4.28Å; F122-L126 HydrophobicContact CZ-CD2 4.11Å; F122-L126 WeakPolarHBondContact O-CB 3.4Å; F122-L126 PolarHBondContact O-N 3.41Å
123G98.2Very high95.5Very high0 Ų031 Ų310%016%0.163CC..Hα-helixtrans-60.6-34.5175.600000113.2A119 I120 Q121 G127 V142A119-G123 PolarHBondContact O-N 3.32Å; I120-G123 CarbonylContact O-C 3.57Å; I120-G123 PolarHBondContact O-N 2.83Å; I120-G123 VanDerWaalsContact O-N 3.13Å; Q121-G123 VanDerWaalsContact C-N 3.34Å; Q121-G123 PolarHBondContact O-N 3.23Å; G123-G127 WeakPolarHBondContact O-CA 3.29Å; G123-G127 PolarHBondContact O-N 3.17Å; G123-V142 WeakPolarHBondContact O-CG1 3.35Å
124F97.7Very high95.9Very high18 Ų1829.9 Ų29.98%0.07916%0.155CC..Hα-helixtrans-65.3-39.6173.4-70.7-2.6000112.6I120 Q121 F122 G128 F143 C146 E164 C165I120-F124 HydrophobicContact CG2-CD1 4.37Å; I120-F124 HydrophobicContact CG2-CE1 3.8Å; I120-F124 HydrophobicContact CG2-CE2 3.97Å; I120-F124 HydrophobicContact CG2-CZ 3.58Å; I120-F124 WeakPolarHBondContact O-CD1 3.39Å; I120-F124 WeakPolarHBondContact O-CG 3.21Å; I120-F124 PolarHBondContact O-N 3.47Å; Q121-F124 PolarHBondContact O-N 2.73Å; F122-F124 VanDerWaalsContact C-N 3.28Å; F122-F124 PolarHBondContact O-N 3.24Å; F124-G128 WeakPolarHBondContact O-CA 3.23Å; F124-G128 PolarHBondContact O-N 3.02Å; F124-F143 HydrophobicContact CD1-CD1 4.45Å; F124-C146 HydrophobicContact CE1-CB 4.15Å; F124-E164 HydrophobicContact CD2-CG 4.33Å; F124-E164 HydrophobicContact CE2-CB 4.12Å; F124-E164 VanDerWaalsContact CE2-CD 3.44Å; F124-E164 HydrophobicContact CE2-CG 3.74Å; F124-E164 WeakPolarHBondContact CE2-OE2 3.47Å; F124-E164 HydrophobicContact CZ-CB 4.26Å; F124-E164 HydrophobicContact CZ-CG 4.2Å; F124-C165 HydrophobicContact CE1-CB 4.35Å; F124-C165 WeakPolarHBondContact CE1-SG 3.47Å; F124-C165 HydrophobicContact CZ-CB 4.44Å
125V97.4Very high96.2Very high70 Ų7026.8 Ų26.842%0.42414%0.139SC..Hα-helixtrans-71.2-45.6177.4-179.90000111.1L70 Q121 F122 F129L70-V125 HydrophobicContact CB-CG1 4.02Å; L70-V125 HydrophobicContact CD1-CG1 4.23Å; Q121-V125 PolarHBondContact O-N 3.21Å; F122-V125 PolarHBondContact O-N 3.44Å; F122-V125 VanDerWaalsContact O-N 3.12Å; V125-F129 PolarHBondContact O-N 3.41Å
126L98.4Very high96.4Very high0 Ų025.4 Ų25.40%013%0.128CC..Hα-helixtrans-66.1-53.2179.4175.661.6000111.5L63 F66 L70 L97 F101 F122 G128 F129 L130 V142L63-L126 HydrophobicContact CD1-CD2 3.85Å; F66-L126 HydrophobicContact CD1-CD1 3.99Å; F66-L126 HydrophobicContact CE1-CD1 4.12Å; L70-L126 HydrophobicContact CD1-CB 4.34Å; L70-L126 HydrophobicContact CD1-CD1 4.14Å; L97-L126 HydrophobicContact CB-CD1 4.34Å; L97-L126 HydrophobicContact CD1-CD1 4.18Å; F101-L126 HydrophobicContact CB-CD2 3.9Å; F101-L126 HydrophobicContact CD2-CD2 4.25Å; F101-L126 HydrophobicContact CG-CD2 4.08Å; F122-L126 HydrophobicContact CE1-CD2 4.38Å; F122-L126 HydrophobicContact CE2-CB 4.14Å; F122-L126 HydrophobicContact CZ-CB 4.28Å; F122-L126 HydrophobicContact CZ-CD2 4.11Å; F122-L126 WeakPolarHBondContact O-CB 3.4Å; F122-L126 PolarHBondContact O-N 3.41Å; L126-G128 VanDerWaalsContact C-N 3.28Å; L126-G128 PolarHBondContact O-N 2.94Å; L126-F129 WeakPolarHBondContact O-CB 3.3Å; L126-F129 PolarHBondContact O-N 3.5Å; L126-L130 HydrophobicContact CD1-CD1 4.35Å; L126-L130 HydrophobicContact CD1-CG 4.41Å; L126-L130 HydrophobicContact CG-CD1 4.37Å; L126-L130 WeakPolarHBondContact O-CG 3.45Å; L126-L130 PolarHBondContact O-N 3.24Å; L126-V142 HydrophobicContact CD2-CG2 4.12Å; L126-V142 HydrophobicContact CG-CG2 4.33Å
127G98.4Very high96.6Very high0 Ų026.7 Ų26.70%014%0.144CC..Hα-helixtrans-63-37.417800000111.4G123 L130 S131 A139 F143G123-G127 WeakPolarHBondContact O-CA 3.29Å; G123-G127 PolarHBondContact O-N 3.17Å; G127-L130 PolarHBondContact O-N 2.95Å; G127-S131 VanDerWaalsContact O-CB 3.26Å; G127-S131 WeakPolarHBondContact O-CB 3.29Å; G127-S131 PolarHBondContact O-N 3.06Å; G127-A139 WeakPolarHBondContact O-CB 3.45Å; G127-F143 WeakPolarHBondContact O-CZ 3.08Å
128G97.6Very high96.9Very high17 Ų1727.2 Ų27.218%0.17515%0.147CC..Hα-helixtrans-59.9-44.4172.900000112.1F124 L126 S131 D132F124-G128 WeakPolarHBondContact O-CA 3.23Å; F124-G128 PolarHBondContact O-N 3.02Å; L126-G128 VanDerWaalsContact C-N 3.28Å; L126-G128 PolarHBondContact O-N 2.94Å; G128-S131 WeakPolarHBondContact O-CB 3.45Å; G128-S131 PolarHBondContact O-N 3.43Å; G128-D132 WeakPolarHBondContact O-CB 3.35Å; G128-D132 PolarHBondContact O-N 3.08Å
129F97.5Very high97.1Very high0 Ų021.3 Ų21.30%012%0.121CC..Hα-helixtrans-61.7-47.8173.5174.9-101.8000113.5F66 L70 R76 L79 H80 F83 V125 L126 S131 D132 A133F66-F129 AromaticContact CE1-CD1 3.73Å; F66-F129 HydrophobicContact CE1-CD1 3.73Å; F66-F129 AromaticContact CE1-CE1 3.87Å; F66-F129 HydrophobicContact CE1-CE1 3.87Å; F66-F129 AromaticContact CZ-CD1 3.81Å; F66-F129 HydrophobicContact CZ-CD1 3.81Å; F66-F129 AromaticContact CZ-CE1 3.43Å; F66-F129 HydrophobicContact CZ-CE1 3.43Å; F66-F129 VanDerWaalsContact CZ-CE1 3.43Å; F66-F129 HydrophobicContact CZ-CZ 4.01Å; L70-F129 HydrophobicContact CD2-CB 3.62Å; L70-F129 HydrophobicContact CD2-CD1 4.2Å; L70-F129 HydrophobicContact CD2-CD2 4.02Å; L70-F129 HydrophobicContact CD2-CG 3.65Å; R76-F129 VanDerWaalsContact NH2-CB 3.27Å; L79-F129 HydrophobicContact CB-CE2 4.47Å; L79-F129 HydrophobicContact CD1-CZ 4.42Å; L79-F129 HydrophobicContact CD2-CD2 4.16Å; L79-F129 HydrophobicContact CD2-CE2 3.72Å; L79-F129 HydrophobicContact CD2-CZ 4.14Å; L79-F129 HydrophobicContact CG-CE2 3.64Å; L79-F129 HydrophobicContact CG-CZ 3.82Å; H80-F129 AromaticContact CE1-CD2 3.61Å; H80-F129 AromaticContact CE1-CE2 3.43Å; H80-F129 VanDerWaalsContact CE1-CE2 3.43Å; H80-F129 WeakPolarHBondContact CE1-CE2 3.49Å; H80-F129 AromaticContact ND1-CE2 3.51Å; H80-F129 AromaticContact NE2-CE2 3.93Å; F83-F129 HydrophobicContact CB-CE1 4.36Å; F83-F129 HydrophobicContact CB-CZ 3.82Å; F83-F129 HydrophobicContact CD1-CE1 4.07Å; F83-F129 AromaticContact CD1-CZ 4Å; F83-F129 HydrophobicContact CD1-CZ 4Å; F83-F129 AromaticContact CD2-CE1 3.7Å; F83-F129 HydrophobicContact CD2-CE1 3.7Å; F83-F129 HydrophobicContact CD2-CZ 4.04Å; F83-F129 HydrophobicContact CE1-CE1 4.21Å; F83-F129 AromaticContact CE2-CE1 3.88Å; F83-F129 HydrophobicContact CE2-CE1 3.88Å; F83-F129 AromaticContact CG-CE1 3.78Å; F83-F129 HydrophobicContact CG-CE1 3.78Å; F83-F129 AromaticContact CG-CZ 3.69Å; F83-F129 HydrophobicContact CG-CZ 3.69Å; F83-F129 HydrophobicContact CZ-CE1 4.12Å; V125-F129 PolarHBondContact O-N 3.41Å; L126-F129 WeakPolarHBondContact O-CB 3.3Å; L126-F129 PolarHBondContact O-N 3.5Å; F129-S131 PolarHBondContact O-N 3Å; F129-D132 PolarHBondContact O-N 2.93Å; F129-A133 VanDerWaalsContact O-CB 3.25Å; F129-A133 WeakPolarHBondContact O-CB 3.37Å; F129-A133 PolarHBondContact O-N 3.25Å
130L98.1Very high97.2Very high0 Ų021.7 Ų21.70%012%0.123CC..Hα-helixtrans-62.7-37.3179.2-65.4177.3000111.2F83 A94 A98 L126 G127 A133 G134 W135 D138 A139 V142F83-L130 HydrophobicContact CE2-CD2 4.23Å; F83-L130 HydrophobicContact CZ-CD2 3.86Å; A94-L130 HydrophobicContact CB-CD2 3.94Å; A98-L130 HydrophobicContact CB-CD1 4.49Å; L126-L130 HydrophobicContact CD1-CD1 4.35Å; L126-L130 HydrophobicContact CD1-CG 4.41Å; L126-L130 HydrophobicContact CG-CD1 4.37Å; L126-L130 WeakPolarHBondContact O-CG 3.45Å; L126-L130 PolarHBondContact O-N 3.24Å; G127-L130 PolarHBondContact O-N 2.95Å; L130-A133 PolarHBondContact O-N 3.28Å; L130-G134 PolarHBondContact O-N 3.47Å; L130-W135 PolarHBondContact O-N 3.27Å; L130-D138 HydrophobicContact CD1-CB 4.02Å; L130-A139 HydrophobicContact CB-CB 3.85Å; L130-V142 HydrophobicContact CD1-CG2 4.2Å
131S97.6Very high97.4Very high7 Ų725.5 Ų25.55%0.04914%0.139CC..Hα-helixtrans-63.6-51.7173-1760000111.7G127 G128 F129 A133 G134 H171 V172G127-S131 VanDerWaalsContact O-CB 3.26Å; G127-S131 WeakPolarHBondContact O-CB 3.29Å; G127-S131 PolarHBondContact O-N 3.06Å; G128-S131 WeakPolarHBondContact O-CB 3.45Å; G128-S131 PolarHBondContact O-N 3.43Å; F129-S131 PolarHBondContact O-N 3Å; S131-A133 PolarHBondContact O-N 2.92Å; S131-G134 PolarHBondContact O-N 3.5Å; S131-H171 PolarHBondContact OG-CD2 3.37Å; S131-V172 WeakPolarHBondContact OG-CG1 3.41Å
132D95.6Very high97.5Very high52 Ų5221 Ų2128%0.27812%0.119SC..Hα-helixtrans-61.2-28.2178.3-65.2-31.7000111.5R76 G128 F129 K243 F322 H328R76-D132 IonicContact NH2-OD2 2.93Å; R76-D132 PolarHBondContact NH2-OD2 3.39Å; R76-D132 VanDerWaalsContact NH2-OD2 3.15Å; G128-D132 WeakPolarHBondContact O-CB 3.35Å; G128-D132 PolarHBondContact O-N 3.08Å; F129-D132 PolarHBondContact O-N 2.93Å; D132-K243 IonicContact OD1-NZ 2.69Å; D132-K243 PolarHBondContact OD1-NZ 2.83Å; D132-F322 WeakPolarHBondContact O-CE1 3.17Å; D132-F322 WeakPolarHBondContact O-CZ 3.46Å; D132-H328 PolarHBondContact O-NE2 3.33Å
133A95.5Very high97.6Very high1 Ų119.7 Ų19.71%0.00811%0.112CC..THydrogen-bonded Turntrans-86.2-0.2177.500000113.9F83 F129 L130 S131 W135 N326F83-A133 HydrophobicContact CD1-CB 4.17Å; F83-A133 HydrophobicContact CE1-CB 3.86Å; F129-A133 VanDerWaalsContact O-CB 3.25Å; F129-A133 WeakPolarHBondContact O-CB 3.37Å; F129-A133 PolarHBondContact O-N 3.25Å; L130-A133 PolarHBondContact O-N 3.28Å; S131-A133 PolarHBondContact O-N 2.92Å; A133-W135 VanDerWaalsContact O-CD1 3.3Å; A133-N326 PolarHBondContact O-ND2 3.39Å
134G95.3Very high97.6Very high10 Ų1023.1 Ų23.110%0.10313%0.13CC..THydrogen-bonded Turntrans84.27.3177.900000116.1L130 S131 Y136 I327 H328L130-G134 PolarHBondContact O-N 3.47Å; S131-G134 PolarHBondContact O-N 3.5Å; G134-Y136 VanDerWaalsContact C-N 3.33Å; G134-Y136 PolarHBondContact O-N 3.15Å; G134-I327 VanDerWaalsContact CA-CG2 3.5Å; G134-H328 WeakPolarHBondContact CA-NE2 3.33Å; G134-H328 PolarHBondContact N-NE2 3.07Å
135W96.3Very high97.6Very high53 Ų5322.4 Ų22.420%0.20113%0.128CC..  trans-93.462.3178.9-6386.7000111.1F83 M87 A94 L130 A133 G137 D138 A139F83-W135 AromaticContact CE1-CD1 3.39Å; F83-W135 HydrophobicContact CE1-CG 4.35Å; F83-W135 AromaticContact CE1-NE1 3.37Å; F83-W135 AromaticContact CZ-CD1 3.83Å; F83-W135 HydrophobicContact CZ-CG 4.42Å; M87-W135 HydrophobicContact CB-CH2 4.29Å; M87-W135 HydrophobicContact CB-CZ2 3.64Å; M87-W135 HydrophobicContact CE-CD2 3.83Å; M87-W135 HydrophobicContact CE-CE3 3.83Å; M87-W135 HydrophobicContact CE-CH2 3.38Å; M87-W135 HydrophobicContact CE-CZ2 3.36Å; M87-W135 HydrophobicContact CE-CZ3 3.62Å; M87-W135 HydrophobicContact CG-CH2 4.49Å; M87-W135 HydrophobicContact CG-CZ2 3.65Å; M87-W135 HydrophobicContact SD-CZ2 4.35Å; A94-W135 HydrophobicContact CB-CB 4.12Å; A94-W135 HydrophobicContact CB-CD2 4.21Å; A94-W135 HydrophobicContact CB-CE3 4.45Å; A94-W135 HydrophobicContact CB-CG 4.04Å; L130-W135 PolarHBondContact O-N 3.27Å; A133-W135 VanDerWaalsContact O-CD1 3.3Å; W135-G137 VanDerWaalsContact C-N 3.33Å; W135-G137 PolarHBondContact O-N 3.38Å; W135-D138 PolarHBondContact O-N 3.49Å; W135-A139 PolarHBondContact O-N 3.19Å
136Y97.2Very high97.6Very high24 Ų2419.1 Ų19.19%0.09411%0.108CC..Hα-helixtrans-60.6-35.7-171.1-62.2-47.5000114.4G134 A139 E140 V172 G175 N176 I327 H328G134-Y136 VanDerWaalsContact C-N 3.33Å; G134-Y136 PolarHBondContact O-N 3.15Å; Y136-A139 PolarHBondContact O-N 3.32Å; Y136-E140 VanDerWaalsContact O-CB 3.29Å; Y136-E140 WeakPolarHBondContact O-CB 3.49Å; Y136-E140 PolarHBondContact O-N 3.43Å; Y136-V172 HydrophobicContact CD1-CB 4.05Å; Y136-V172 HydrophobicContact CD1-CG1 3.99Å; Y136-V172 HydrophobicContact CG-CB 4.47Å; Y136-G175 WeakPolarHBondContact CE2-O 3.44Å; Y136-N176 HydrophobicContact CD2-CB 4.09Å; Y136-N176 HydrophobicContact CG-CB 4.29Å; Y136-I327 HydrophobicContact CD2-CD1 3.97Å; Y136-I327 HydrophobicContact CE2-CD1 3.9Å; Y136-I327 HydrophobicContact CE2-CG2 4.16Å; Y136-H328 PolarHBondContact OH-CE1 2.89Å
137G96.6Very high97.5Very high36 Ų3619.9 Ų19.937%0.37111%0.112SC..Hα-helixtrans-62.8-42.2178.300000112.9W135 K141W135-G137 VanDerWaalsContact C-N 3.33Å; W135-G137 PolarHBondContact O-N 3.38Å; G137-K141 PolarHBondContact O-N 3.41Å
138D98.3Very high97.4Very high32 Ų3225.1 Ų25.117%0.17114%0.137CC..Hα-helixtrans-74.3-38.1177.7-65-60.4000111.6A94 S95 A98 L130 W135 K141 V142A94-D138 HydrophobicContact CB-CB 4.08Å; A94-D138 VanDerWaalsContact CB-OD2 3.27Å; A94-D138 WeakPolarHBondContact CB-OD2 3.33Å; S95-D138 WeakPolarHBondContact CA-OD1 3.49Å; S95-D138 PolarHBondContact N-OD1 2.83Å; A98-D138 HydrophobicContact CB-CB 3.92Å; L130-D138 HydrophobicContact CD1-CB 4.02Å; W135-D138 PolarHBondContact O-N 3.49Å; D138-K141 WeakPolarHBondContact O-CB 3.46Å; D138-K141 PolarHBondContact O-N 2.96Å; D138-V142 WeakPolarHBondContact O-CG2 3.49Å; D138-V142 PolarHBondContact O-N 2.9Å; D138-V142 VanDerWaalsContact O-N 3.13Å
139A98.7Very high97.2Very high0 Ų024.5 Ų24.50%013%0.129CC..Hα-helixtrans-60.7-45.2172.700000111.9G127 L130 W135 Y136 K141 V142 F143 V172G127-A139 WeakPolarHBondContact O-CB 3.45Å; L130-A139 HydrophobicContact CB-CB 3.85Å; W135-A139 PolarHBondContact O-N 3.19Å; Y136-A139 PolarHBondContact O-N 3.32Å; A139-K141 VanDerWaalsContact C-N 3.29Å; A139-K141 PolarHBondContact O-N 3.37Å; A139-V142 PolarHBondContact O-N 3.32Å; A139-V142 VanDerWaalsContact O-N 3.16Å; A139-F143 HydrophobicContact CB-CE2 4.11Å; A139-F143 WeakPolarHBondContact O-CD2 3.49Å; A139-F143 WeakPolarHBondContact O-CG 3.45Å; A139-F143 PolarHBondContact O-N 3.06Å; A139-V172 HydrophobicContact CB-CG1 3.95Å
140E98.6Very high96.9Very high11 Ų1124.6 Ų24.65%0.05113%0.13CC..Hα-helixtrans-56.3-44.4175.3-176.6179.7-169.200110.9Y136 V142 F143 L144 L169 V172 R173 K178Y136-E140 VanDerWaalsContact O-CB 3.29Å; Y136-E140 WeakPolarHBondContact O-CB 3.49Å; Y136-E140 PolarHBondContact O-N 3.43Å; E140-V142 VanDerWaalsContact C-N 3.34Å; E140-V142 PolarHBondContact O-N 3.49Å; E140-F143 PolarHBondContact O-N 2.94Å; E140-L144 HydrophobicContact CG-CD1 4Å; E140-L144 HydrophobicContact CG-CG 4.29Å; E140-L144 WeakPolarHBondContact O-CB 3.41Å; E140-L144 WeakPolarHBondContact O-CG 3.36Å; E140-L144 PolarHBondContact O-N 3.32Å; E140-L169 HydrophobicContact CG-CD2 3.89Å; E140-V172 HydrophobicContact CB-CG2 3.87Å; E140-V172 HydrophobicContact CG-CG2 4.41Å; E140-R173 IonicContact OE1-CZ 3.93Å; E140-R173 VanDerWaalsContact OE1-CZ 3.31Å; E140-R173 IonicContact OE1-NE 3.22Å; E140-R173 PolarHBondContact OE1-NE 3.44Å; E140-R173 IonicContact OE1-NH2 3.69Å; E140-R173 PolarHBondContact OE1-NH2 2.95Å; E140-K178 IonicContact OE2-NZ 3.43Å; E140-K178 PolarHBondContact OE2-NZ 2.86Å
141K98.7Very high96.3Very high80 Ų8028 Ų2835%0.34815%0.151SC..Hα-helixtrans-60.4-41.8177.3-175.9170.1-170.9156.50112.8A98 N99 G137 D138 A139 S145A98-K141 HydrophobicContact CB-CB 4.47Å; A98-K141 HydrophobicContact CB-CD 4.39Å; N99-K141 WeakPolarHBondContact OD1-CE 3.24Å; N99-K141 PolarHBondContact OD1-NZ 2.93Å; G137-K141 PolarHBondContact O-N 3.41Å; D138-K141 WeakPolarHBondContact O-CB 3.46Å; D138-K141 PolarHBondContact O-N 2.96Å; A139-K141 VanDerWaalsContact C-N 3.29Å; A139-K141 PolarHBondContact O-N 3.37Å; K141-S145 PolarHBondContact O-N 3.17Å; K141-S145 VanDerWaalsContact O-N 3.11Å; K141-S145 PolarHBondContact O-OG 2.78Å
142V98.8Very high95.6Very high0 Ų031.8 Ų31.80%017%0.17CC..Hα-helixtrans-63-47.9175.91720000110.7A98 F101 G123 L126 L130 D138 A139 E140 S145 C146A98-V142 HydrophobicContact CB-CG2 3.87Å; F101-V142 HydrophobicContact CD1-CB 4.25Å; F101-V142 HydrophobicContact CD1-CG1 3.77Å; F101-V142 HydrophobicContact CD1-CG2 4.16Å; F101-V142 HydrophobicContact CE1-CG1 3.73Å; F101-V142 HydrophobicContact CG-CG1 4.49Å; F101-V142 HydrophobicContact CZ-CG1 4.43Å; G123-V142 WeakPolarHBondContact O-CG1 3.35Å; L126-V142 HydrophobicContact CD2-CG2 4.12Å; L126-V142 HydrophobicContact CG-CG2 4.33Å; L130-V142 HydrophobicContact CD1-CG2 4.2Å; D138-V142 WeakPolarHBondContact O-CG2 3.49Å; D138-V142 PolarHBondContact O-N 2.9Å; D138-V142 VanDerWaalsContact O-N 3.13Å; A139-V142 PolarHBondContact O-N 3.32Å; A139-V142 VanDerWaalsContact O-N 3.16Å; E140-V142 VanDerWaalsContact C-N 3.34Å; E140-V142 PolarHBondContact O-N 3.49Å; V142-S145 WeakPolarHBondContact O-CB 3.43Å; V142-S145 PolarHBondContact O-N 3.45Å; V142-C146 PolarHBondContact O-N 3.38Å; V142-C146 PolarHBondContact O-SG 3.12Å
143F98.7Very high94.5Very high2 Ų231.9 Ų31.91%0.00917%0.168CC..Hα-helixtrans-68.4-35.6-179.4-60.4-45.4000113.2F124 G127 A139 E140 S145 C146 L147 R168 L169 V172F124-F143 HydrophobicContact CD1-CD1 4.45Å; G127-F143 WeakPolarHBondContact O-CZ 3.08Å; A139-F143 HydrophobicContact CB-CE2 4.11Å; A139-F143 WeakPolarHBondContact O-CD2 3.49Å; A139-F143 WeakPolarHBondContact O-CG 3.45Å; A139-F143 PolarHBondContact O-N 3.06Å; E140-F143 PolarHBondContact O-N 2.94Å; F143-S145 VanDerWaalsContact C-N 3.32Å; F143-S145 PolarHBondContact O-N 2.97Å; F143-C146 WeakPolarHBondContact O-CB 3.33Å; F143-C146 PolarHBondContact O-N 3.01Å; F143-L147 WeakPolarHBondContact O-CB 3.38Å; F143-L147 PolarHBondContact O-N 2.92Å; F143-R168 HydrophobicContact CD1-CB 4.12Å; F143-R168 HydrophobicContact CD2-CB 3.94Å; F143-R168 HydrophobicContact CE1-CB 3.96Å; F143-R168 HydrophobicContact CE1-CG 4.23Å; F143-R168 HydrophobicContact CE2-CB 3.76Å; F143-R168 HydrophobicContact CG-CB 4.12Å; F143-R168 HydrophobicContact CZ-CB 3.75Å; F143-R168 HydrophobicContact CZ-CG 4.08Å; F143-L169 HydrophobicContact CB-CD1 4.42Å; F143-L169 HydrophobicContact CB-CD2 3.59Å; F143-L169 HydrophobicContact CB-CG 3.66Å; F143-V172 HydrophobicContact CD2-CG1 4.27Å; F143-V172 HydrophobicContact CD2-CG2 4.19Å; F143-V172 HydrophobicContact CE2-CG1 3.79Å
144L98.4Very high93.3Very high72 Ų7238 Ų3838%0.37721%0.211SC..Hα-helixtrans-61.8-40.8171.8-74.6173.5000111.7E140 C146 L147 Q148 L169E140-L144 HydrophobicContact CG-CD1 4Å; E140-L144 HydrophobicContact CG-CG 4.29Å; E140-L144 WeakPolarHBondContact O-CB 3.41Å; E140-L144 WeakPolarHBondContact O-CG 3.36Å; E140-L144 PolarHBondContact O-N 3.32Å; L144-C146 VanDerWaalsContact C-N 3.31Å; L144-C146 PolarHBondContact O-N 3.02Å; L144-L147 PolarHBondContact O-N 3.26Å; L144-Q148 PolarHBondContact O-N 3.46Å; L144-L169 HydrophobicContact CD2-CD1 4.11Å; L144-L169 HydrophobicContact CD2-CD2 4.05Å; L144-L169 HydrophobicContact CG-CD2 3.9Å
145S98.1Very high92.5Very high4 Ų442.3 Ų42.33%0.02823%0.229CC..Hα-helixtrans-63-39.4175.3-53.30000111.3S102 K141 V142 F143 Q148 L149S102-S145 WeakPolarHBondContact CA-OG 3.49Å; S102-S145 VanDerWaalsContact CB-OG 3.32Å; S102-S145 WeakPolarHBondContact CB-OG 3.4Å; S102-S145 PolarHBondContact OG-OG 3.43Å; K141-S145 PolarHBondContact O-N 3.17Å; K141-S145 VanDerWaalsContact O-N 3.11Å; K141-S145 PolarHBondContact O-OG 2.78Å; V142-S145 WeakPolarHBondContact O-CB 3.43Å; V142-S145 PolarHBondContact O-N 3.45Å; F143-S145 VanDerWaalsContact C-N 3.32Å; F143-S145 PolarHBondContact O-N 2.97Å; S145-Q148 PolarHBondContact O-N 3.22Å; S145-L149 PolarHBondContact O-N 2.98Å
146C97.5Very high91.9Very high0 Ų041.8 Ų41.80%023%0.231CC..Hα-helixtrans-66.3-43.8175-62.10000112.1F124 V142 F143 L144 Q148 L149 C150 C165F124-C146 HydrophobicContact CE1-CB 4.15Å; V142-C146 PolarHBondContact O-N 3.38Å; V142-C146 PolarHBondContact O-SG 3.12Å; F143-C146 WeakPolarHBondContact O-CB 3.33Å; F143-C146 PolarHBondContact O-N 3.01Å; L144-C146 VanDerWaalsContact C-N 3.31Å; L144-C146 PolarHBondContact O-N 3.02Å; C146-Q148 VanDerWaalsContact C-N 3.3Å; C146-Q148 PolarHBondContact O-N 2.8Å; C146-L149 PolarHBondContact O-N 3.2Å; C146-C150 PolarHBondContact O-N 3.06Å; C146-C150 PolarHBondContact O-SG 3.37Å; C146-C165 WeakPolarHBondContact CB-SG 3.34Å
147L96.6Very high91.3Very high17 Ų1744.7 Ų44.79%0.08925%0.248CC..Hα-helixtrans-61.4-40.8178.1-177.759.7000111.2F143 L144 L149 C150 T151 A162 C165 L169 L188 Y192F143-L147 WeakPolarHBondContact O-CB 3.38Å; F143-L147 PolarHBondContact O-N 2.92Å; L144-L147 PolarHBondContact O-N 3.26Å; L147-L149 PolarHBondContact O-N 3.45Å; L147-C150 WeakPolarHBondContact O-CB 3.45Å; L147-C150 PolarHBondContact O-N 2.92Å; L147-C150 VanDerWaalsContact O-N 3.13Å; L147-T151 WeakPolarHBondContact O-CG2 3.31Å; L147-T151 PolarHBondContact O-N 3.2Å; L147-A162 HydrophobicContact CD1-CB 4.03Å; L147-C165 HydrophobicContact CB-CB 4.36Å; L147-C165 HydrophobicContact CD1-CB 4.18Å; L147-C165 PolarHBondContact N-SG 3.04Å; L147-C165 VanDerWaalsContact N-SG 3.44Å; L147-L169 HydrophobicContact CB-CD1 4.39Å; L147-L169 HydrophobicContact CD2-CD1 3.67Å; L147-L188 HydrophobicContact CD2-CD2 3.82Å; L147-Y192 HydrophobicContact CD1-CE2 4.41Å
148Q94.9Very high90.8Very high110 Ų11043.1 Ų43.151%0.51423%0.231SC..Hα-helixtrans-57.5-48.1173.9-173.2178.3500111L144 S145 C146 C150 T151 L152L144-Q148 PolarHBondContact O-N 3.46Å; S145-Q148 PolarHBondContact O-N 3.22Å; C146-Q148 VanDerWaalsContact C-N 3.3Å; C146-Q148 PolarHBondContact O-N 2.8Å; Q148-C150 VanDerWaalsContact C-N 3.28Å; Q148-C150 PolarHBondContact O-N 3.47Å; Q148-T151 PolarHBondContact O-N 3.33Å; Q148-T151 VanDerWaalsContact O-N 3.08Å; Q148-T151 PolarHBondContact O-OG1 3.03Å; Q148-L152 PolarHBondContact O-N 2.86Å
149L94.1Very high90.4Very high3 Ų342.3 Ų42.32%0.01623%0.227CC..Hα-helixtrans-59.9-36.9175.6-66.3-178.9000112.8C105 I108 K116 A119 I120 S145 C146 L147 T151 L152C105-L149 HydrophobicContact CB-CD1 4.04Å; C105-L149 HydrophobicContact CB-CD2 4.43Å; C105-L149 HydrophobicContact CB-CG 4.26Å; I108-L149 HydrophobicContact CD1-CD1 4.18Å; I108-L149 HydrophobicContact CG1-CD1 4.49Å; I108-L149 HydrophobicContact CG1-CD2 4.47Å; K116-L149 HydrophobicContact CD-CD2 4.1Å; K116-L149 HydrophobicContact CG-CD2 4.12Å; A119-L149 HydrophobicContact CB-CD1 4.13Å; I120-L149 HydrophobicContact CD1-CB 4.03Å; I120-L149 HydrophobicContact CG1-CB 4.05Å; I120-L149 HydrophobicContact CG1-CD1 4.24Å; S145-L149 PolarHBondContact O-N 2.98Å; C146-L149 PolarHBondContact O-N 3.2Å; L147-L149 PolarHBondContact O-N 3.45Å; L149-T151 VanDerWaalsContact C-N 3.3Å; L149-T151 PolarHBondContact O-N 3.44Å; L149-L152 HydrophobicContact CD2-CD1 4.29Å; L149-L152 PolarHBondContact O-N 3.47Å
150C91.8Very high90.1Very high2 Ų246 Ų461%0.01424%0.242CC..Hα-helixtrans-63.6-35.8175.6-60.90000112.2C146 L147 Q148 L152 A162C146-C150 PolarHBondContact O-N 3.06Å; C146-C150 PolarHBondContact O-SG 3.37Å; L147-C150 WeakPolarHBondContact O-CB 3.45Å; L147-C150 PolarHBondContact O-N 2.92Å; L147-C150 VanDerWaalsContact O-N 3.13Å; Q148-C150 VanDerWaalsContact C-N 3.28Å; Q148-C150 PolarHBondContact O-N 3.47Å; C150-L152 VanDerWaalsContact C-N 3.3Å; C150-L152 PolarHBondContact O-N 3.36Å; C150-A162 HydrophobicContact CB-CB 4.03Å
151T85.4Confident89.8Confident72 Ų7248.2 Ų48.244%0.44225%0.25SC..Hα-helixtrans-74-17.6-17666.70000114.4L147 Q148 L149 H153 Y192L147-T151 WeakPolarHBondContact O-CG2 3.31Å; L147-T151 PolarHBondContact O-N 3.2Å; Q148-T151 PolarHBondContact O-N 3.33Å; Q148-T151 VanDerWaalsContact O-N 3.08Å; Q148-T151 PolarHBondContact O-OG1 3.03Å; L149-T151 VanDerWaalsContact C-N 3.3Å; L149-T151 PolarHBondContact O-N 3.44Å; T151-H153 PolarHBondContact O-N 3.27Å; T151-Y192 WeakPolarHBondContact CG2-OH 3.29Å
152L83.4Confident89.6Confident87 Ų8744.4 Ų44.446%0.45523%0.233SC..THydrogen-bonded Turntrans-75.5-6.7-178.7-63.5173.8000113.2A109 Q148 L149 C150A109-L152 HydrophobicContact CB-CD1 3.83Å; Q148-L152 PolarHBondContact O-N 2.86Å; L149-L152 HydrophobicContact CD2-CD1 4.29Å; L149-L152 PolarHBondContact O-N 3.47Å; C150-L152 VanDerWaalsContact C-N 3.3Å; C150-L152 PolarHBondContact O-N 3.36Å
153H72Confident89.4Confident53 Ų5345.1 Ų45.125%0.24524%0.238CC..  trans-128.7146.7178.7-70.8-73.1000111.9K116 T151 H158K116-H153 WeakPolarHBondContact CE-NE2 3.24Å; K116-H153 PolarHBondContact NZ-NE2 3.16Å; T151-H153 PolarHBondContact O-N 3.27Å; H153-H158 HydrophobicContact CB-CB 4.27Å; H153-H158 AromaticContact CD2-CD2 3.92Å; H153-H158 AromaticContact CD2-CE1 3.93Å; H153-H158 AromaticContact CD2-NE2 3.42Å; H153-H158 PolarHBondContact CD2-NE2 2.84Å; H153-H158 AromaticContact CG-CE1 3.88Å; H153-H158 AromaticContact CG-NE2 3.78Å
154S68.8Low89.3Confident129 Ų12947.7 Ų47.790%0.90225%0.25SC*.  trans-97.512.5177.7-62.30000113.2
155E79.8Confident89.2Confident101 Ų10144.3 Ų44.347%0.47223%0.232SC..  trans-77.1150.3-178.9-61.5178.3177.300112.2L157 H158 C159E155-L157 VanDerWaalsContact C-N 3.3Å; E155-L157 PolarHBondContact O-N 3.14Å; E155-H158 PolarHBondContact O-N 2.72Å; E155-H158 VanDerWaalsContact O-N 3.12Å; E155-H158 IonicContact OE2-CE1 2.89Å; E155-H158 PolarHBondContact OE2-CE1 3.48Å; E155-H158 IonicContact OE2-ND1 3.27Å; E155-H158 PolarHBondContact OE2-ND1 3.48Å; E155-C159 PolarHBondContact O-N 3.3Å
156V83.6Confident89.2Confident43 Ų4344.1 Ų44.126%0.26123%0.231SC..Hα-helixtrans-57.3-41.5178.4175.10000111.9H158 C159 Y160 L196 H199V156-H158 VanDerWaalsContact C-N 3.27Å; V156-H158 PolarHBondContact O-N 3Å; V156-C159 WeakPolarHBondContact O-CB 3.46Å; V156-C159 PolarHBondContact O-N 2.95Å; V156-Y160 HydrophobicContact CG1-CD2 4.03Å; V156-Y160 HydrophobicContact CG1-CE2 3.86Å; V156-Y160 WeakPolarHBondContact O-CD2 3.47Å; V156-Y160 PolarHBondContact O-N 3.35Å; V156-Y160 VanDerWaalsContact O-N 3.11Å; V156-L196 HydrophobicContact CG1-CD2 3.69Å; V156-H199 HydrophobicContact CG2-CB 4.39Å
157L84.9Confident89.2Confident84 Ų8445 Ų4544%0.4424%0.236SC..Hα-helixtrans-57.7-41.4178.1179.162.4000111.8E155 C159 Y160 R161E155-L157 VanDerWaalsContact C-N 3.3Å; E155-L157 PolarHBondContact O-N 3.14Å; L157-C159 VanDerWaalsContact C-N 3.3Å; L157-C159 PolarHBondContact O-N 3.24Å; L157-Y160 WeakPolarHBondContact O-CB 3.37Å; L157-Y160 PolarHBondContact O-N 3.47Å; L157-R161 PolarHBondContact O-N 2.86Å
158H85.5Confident89.3Confident4 Ų447.8 Ų47.82%0.01925%0.245CC..Hα-helixtrans-69.6-29.1178.7-67.683.4000111.9H153 E155 V156 R161 A162H153-H158 HydrophobicContact CB-CB 4.27Å; H153-H158 AromaticContact CD2-CD2 3.92Å; H153-H158 AromaticContact CD2-CE1 3.93Å; H153-H158 AromaticContact CD2-NE2 3.42Å; H153-H158 PolarHBondContact CD2-NE2 2.84Å; H153-H158 AromaticContact CG-CE1 3.88Å; H153-H158 AromaticContact CG-NE2 3.78Å; E155-H158 PolarHBondContact O-N 2.72Å; E155-H158 VanDerWaalsContact O-N 3.12Å; E155-H158 IonicContact OE2-CE1 2.89Å; E155-H158 PolarHBondContact OE2-CE1 3.48Å; E155-H158 IonicContact OE2-ND1 3.27Å; E155-H158 PolarHBondContact OE2-ND1 3.48Å; V156-H158 VanDerWaalsContact C-N 3.27Å; V156-H158 PolarHBondContact O-N 3Å; H158-R161 PolarHBondContact O-N 2.96Å; H158-A162 VanDerWaalsContact O-CB 3.29Å; H158-A162 WeakPolarHBondContact O-CB 3.35Å; H158-A162 PolarHBondContact O-N 2.66Å
159C89.9Confident89.4Confident14 Ų1442.6 Ų42.610%0.09522%0.221CC..Hα-helixtrans-66.9-41.6170.9-64.90000111.7E155 V156 L157 A162 V163 Y192 L196E155-C159 PolarHBondContact O-N 3.3Å; V156-C159 WeakPolarHBondContact O-CB 3.46Å; V156-C159 PolarHBondContact O-N 2.95Å; L157-C159 VanDerWaalsContact C-N 3.3Å; L157-C159 PolarHBondContact O-N 3.24Å; C159-A162 PolarHBondContact O-N 2.82Å; C159-V163 WeakPolarHBondContact O-CG2 3.49Å; C159-V163 PolarHBondContact O-N 3.35Å; C159-Y192 HydrophobicContact CB-CD1 4.28Å; C159-L196 HydrophobicContact CB-CD1 4.5Å; C159-L196 HydrophobicContact CB-CD2 3.63Å; C159-L196 HydrophobicContact CB-CG 3.91Å
160Y91.8Very high89.6Confident77 Ų7742.4 Ų42.430%0.30222%0.22SC..Hα-helixtrans-60.7-46173-83.9-74.9000111.8V156 L157 A162 V163 E164 L196 H201 A203V156-Y160 HydrophobicContact CG1-CD2 4.03Å; V156-Y160 HydrophobicContact CG1-CE2 3.86Å; V156-Y160 WeakPolarHBondContact O-CD2 3.47Å; V156-Y160 PolarHBondContact O-N 3.35Å; V156-Y160 VanDerWaalsContact O-N 3.11Å; L157-Y160 WeakPolarHBondContact O-CB 3.37Å; L157-Y160 PolarHBondContact O-N 3.47Å; Y160-A162 VanDerWaalsContact C-N 3.32Å; Y160-A162 PolarHBondContact O-N 2.81Å; Y160-V163 PolarHBondContact O-N 3.39Å; Y160-E164 PolarHBondContact O-N 2.95Å; Y160-L196 HydrophobicContact CD1-CD1 3.87Å; Y160-L196 HydrophobicContact CD2-CD1 4.35Å; Y160-L196 HydrophobicContact CD2-CD2 3.65Å; Y160-L196 HydrophobicContact CE1-CD1 4Å; Y160-L196 HydrophobicContact CE2-CD1 4.45Å; Y160-L196 HydrophobicContact CE2-CD2 3.66Å; Y160-L196 HydrophobicContact CG-CD1 4.07Å; Y160-L196 HydrophobicContact CG-CD2 4.17Å; Y160-H201 HydrophobicContact CE2-CB 4.23Å; Y160-H201 WeakPolarHBondContact OH-CB 3.23Å; Y160-A203 HydrophobicContact CD1-CB 4.35Å; Y160-A203 HydrophobicContact CE1-CB 3.81Å
161R93.4Very high89.9Confident58 Ų5845.6 Ų45.622%0.21924%0.235CC..Hα-helixtrans-62.4-38.2175.9-68.7-62.8-177.1-132.3-5.4112.4E117 I120 L157 H158 E164 C165E117-R161 IonicContact OE1-CZ 2.59Å; E117-R161 VanDerWaalsContact OE1-CZ 3.29Å; E117-R161 IonicContact OE1-NE 3.8Å; E117-R161 PolarHBondContact OE1-NE 3.14Å; E117-R161 IonicContact OE1-NH2 2.91Å; E117-R161 PolarHBondContact OE1-NH2 2.69Å; E117-R161 IonicContact OE2-NE 2.64Å; E117-R161 PolarHBondContact OE2-NE 3.12Å; I120-R161 HydrophobicContact CG2-CB 4.44Å; I120-R161 HydrophobicContact CG2-CG 4.49Å; L157-R161 PolarHBondContact O-N 2.86Å; H158-R161 PolarHBondContact O-N 2.96Å; R161-E164 IonicContact CZ-OE2 3.37Å; R161-E164 IonicContact NH1-OE2 2.78Å; R161-E164 PolarHBondContact NH1-OE2 3.37Å; R161-E164 PolarHBondContact O-N 3.41Å; R161-C165 WeakPolarHBondContact O-CB 3.39Å; R161-C165 PolarHBondContact O-N 3.06Å
162A94.6Very high90.5Very high0 Ų042.2 Ų42.20%021%0.214CC..Hα-helixtrans-62.6-44175.300000111.9L147 C150 H158 C159 Y160 C165 C166 Y192L147-A162 HydrophobicContact CD1-CB 4.03Å; C150-A162 HydrophobicContact CB-CB 4.03Å; H158-A162 VanDerWaalsContact O-CB 3.29Å; H158-A162 WeakPolarHBondContact O-CB 3.35Å; H158-A162 PolarHBondContact O-N 2.66Å; C159-A162 PolarHBondContact O-N 2.82Å; Y160-A162 VanDerWaalsContact C-N 3.32Å; Y160-A162 PolarHBondContact O-N 2.81Å; A162-C165 WeakPolarHBondContact O-CB 3.24Å; A162-C165 PolarHBondContact O-N 3.46Å; A162-C166 PolarHBondContact O-N 3.31Å; A162-C166 PolarHBondContact O-SG 3.49Å; A162-Y192 HydrophobicContact CB-CD1 3.87Å; A162-Y192 HydrophobicContact CB-CD2 3.74Å; A162-Y192 HydrophobicContact CB-CE1 3.82Å; A162-Y192 HydrophobicContact CB-CE2 3.69Å; A162-Y192 HydrophobicContact CB-CG 3.84Å
163V95.1Very high91.2Very high16 Ų1639.1 Ų39.110%0.09720%0.196CC..Hα-helixtrans-60.9-46.4174.4175.20000110.8C159 Y160 C165 C166 V167 M193 L196C159-V163 WeakPolarHBondContact O-CG2 3.49Å; C159-V163 PolarHBondContact O-N 3.35Å; Y160-V163 PolarHBondContact O-N 3.39Å; V163-C165 VanDerWaalsContact C-N 3.31Å; V163-C165 PolarHBondContact O-N 3.14Å; V163-C166 PolarHBondContact O-N 2.58Å; V163-C166 VanDerWaalsContact O-N 3.11Å; V163-V167 WeakPolarHBondContact O-CG2 3.49Å; V163-V167 PolarHBondContact O-N 3.27Å; V163-M193 HydrophobicContact CG1-CG 4.27Å; V163-M193 HydrophobicContact CG2-CG 3.89Å; V163-L196 HydrophobicContact CG2-CD1 4.26Å
164E95.1Very high92.4Very high56 Ų5637.4 Ų37.426%0.26219%0.189SC..Hα-helixtrans-60.9-39.3178.1-172.6173.5-171.900112.7F124 Y160 R161 R168F124-E164 HydrophobicContact CD2-CG 4.33Å; F124-E164 HydrophobicContact CE2-CB 4.12Å; F124-E164 VanDerWaalsContact CE2-CD 3.44Å; F124-E164 HydrophobicContact CE2-CG 3.74Å; F124-E164 WeakPolarHBondContact CE2-OE2 3.47Å; F124-E164 HydrophobicContact CZ-CB 4.26Å; F124-E164 HydrophobicContact CZ-CG 4.2Å; Y160-E164 PolarHBondContact O-N 2.95Å; R161-E164 IonicContact CZ-OE2 3.37Å; R161-E164 IonicContact NH1-OE2 2.78Å; R161-E164 PolarHBondContact NH1-OE2 3.37Å; R161-E164 PolarHBondContact O-N 3.41Å; E164-R168 PolarHBondContact O-N 3.37Å; E164-R168 PolarHBondContact O-NH1 2.97Å; E164-R168 IonicContact OE1-CZ 3.2Å; E164-R168 IonicContact OE1-NH1 2.69Å; E164-R168 PolarHBondContact OE1-NH1 3.11Å; E164-R168 IonicContact OE1-NH2 2.94Å; E164-R168 PolarHBondContact OE1-NH2 3.31Å
165C96.8Very high93.7Very high0 Ų032.4 Ų32.40%016%0.158CC..Hα-helixtrans-58.4-50.6169.7-1160000111.5F124 C146 L147 R161 A162 V163 V167 R168 L169F124-C165 HydrophobicContact CE1-CB 4.35Å; F124-C165 WeakPolarHBondContact CE1-SG 3.47Å; F124-C165 HydrophobicContact CZ-CB 4.44Å; C146-C165 WeakPolarHBondContact CB-SG 3.34Å; L147-C165 HydrophobicContact CB-CB 4.36Å; L147-C165 HydrophobicContact CD1-CB 4.18Å; L147-C165 PolarHBondContact N-SG 3.04Å; L147-C165 VanDerWaalsContact N-SG 3.44Å; R161-C165 WeakPolarHBondContact O-CB 3.39Å; R161-C165 PolarHBondContact O-N 3.06Å; A162-C165 WeakPolarHBondContact O-CB 3.24Å; A162-C165 PolarHBondContact O-N 3.46Å; V163-C165 VanDerWaalsContact C-N 3.31Å; V163-C165 PolarHBondContact O-N 3.14Å; C165-V167 VanDerWaalsContact C-N 3.34Å; C165-V167 PolarHBondContact O-N 3.02Å; C165-R168 PolarHBondContact O-N 2.97Å; C165-L169 WeakPolarHBondContact O-CB 3.36Å; C165-L169 PolarHBondContact O-N 2.94Å
166C97.8Very high94.4Very high0 Ų028.4 Ų28.40%014%0.14CC..Hα-helixtrans-62.7-39.7-178-72.40000111.9A162 V163 R168 L169 L170 T185 A189A162-C166 PolarHBondContact O-N 3.31Å; A162-C166 PolarHBondContact O-SG 3.49Å; V163-C166 PolarHBondContact O-N 2.58Å; V163-C166 VanDerWaalsContact O-N 3.11Å; C166-R168 VanDerWaalsContact C-N 3.32Å; C166-R168 PolarHBondContact O-N 3.18Å; C166-L169 PolarHBondContact O-N 3.46Å; C166-L170 VanDerWaalsContact O-CB 3.29Å; C166-L170 WeakPolarHBondContact O-CB 3.48Å; C166-L170 PolarHBondContact O-N 3.48Å; C166-T185 HydrophobicContact CB-CG2 3.85Å; C166-T185 WeakPolarHBondContact O-CG2 3.35Å; C166-A189 HydrophobicContact CB-CB 3.59Å
167V98Very high95Very high20 Ų2027.4 Ų27.412%0.12113%0.134CC..Hα-helixtrans-59-45.1174.6173.40000110.9V163 C165 L170 H171 A207 L208 E211V163-V167 WeakPolarHBondContact O-CG2 3.49Å; V163-V167 PolarHBondContact O-N 3.27Å; C165-V167 VanDerWaalsContact C-N 3.34Å; C165-V167 PolarHBondContact O-N 3.02Å; V167-L170 PolarHBondContact O-N 3.49Å; V167-H171 PolarHBondContact O-N 3.31Å; V167-A207 HydrophobicContact CG1-CB 3.99Å; V167-L208 HydrophobicContact CG2-CB 3.86Å; V167-L208 HydrophobicContact CG2-CD1 3.97Å; V167-E211 HydrophobicContact CG1-CG 4.16Å
168R98.1Very high95.6Very high74 Ų7426.6 Ų26.628%0.27913%0.128SC..Hα-helixtrans-67.4-39.6177.4-76.1162.2178.765.6-10.9112.9F143 E164 C165 C166 L170 H171 V172F143-R168 HydrophobicContact CD1-CB 4.12Å; F143-R168 HydrophobicContact CD2-CB 3.94Å; F143-R168 HydrophobicContact CE1-CB 3.96Å; F143-R168 HydrophobicContact CE1-CG 4.23Å; F143-R168 HydrophobicContact CE2-CB 3.76Å; F143-R168 HydrophobicContact CG-CB 4.12Å; F143-R168 HydrophobicContact CZ-CB 3.75Å; F143-R168 HydrophobicContact CZ-CG 4.08Å; E164-R168 PolarHBondContact O-N 3.37Å; E164-R168 PolarHBondContact O-NH1 2.97Å; E164-R168 IonicContact OE1-CZ 3.2Å; E164-R168 IonicContact OE1-NH1 2.69Å; E164-R168 PolarHBondContact OE1-NH1 3.11Å; E164-R168 IonicContact OE1-NH2 2.94Å; E164-R168 PolarHBondContact OE1-NH2 3.31Å; C165-R168 PolarHBondContact O-N 2.97Å; C166-R168 VanDerWaalsContact C-N 3.32Å; C166-R168 PolarHBondContact O-N 3.18Å; R168-L170 VanDerWaalsContact C-N 3.32Å; R168-H171 WeakPolarHBondContact O-CB 3.35Å; R168-H171 PolarHBondContact O-N 3.43Å; R168-V172 WeakPolarHBondContact O-CG2 3.42Å; R168-V172 PolarHBondContact O-N 2.93Å; R168-V172 VanDerWaalsContact O-N 3.1Å
169L98.2Very high96.1Very high1 Ų127.8 Ų27.81%0.00513%0.132CC..Hα-helixtrans-62-42.6173.9-81.3167.7000111.4E140 F143 L144 L147 C165 C166 H171 V172 R173 T185E140-L169 HydrophobicContact CG-CD2 3.89Å; F143-L169 HydrophobicContact CB-CD1 4.42Å; F143-L169 HydrophobicContact CB-CD2 3.59Å; F143-L169 HydrophobicContact CB-CG 3.66Å; L144-L169 HydrophobicContact CD2-CD1 4.11Å; L144-L169 HydrophobicContact CD2-CD2 4.05Å; L144-L169 HydrophobicContact CG-CD2 3.9Å; L147-L169 HydrophobicContact CB-CD1 4.39Å; L147-L169 HydrophobicContact CD2-CD1 3.67Å; C165-L169 WeakPolarHBondContact O-CB 3.36Å; C165-L169 PolarHBondContact O-N 2.94Å; C166-L169 PolarHBondContact O-N 3.46Å; L169-H171 VanDerWaalsContact C-N 3.35Å; L169-V172 WeakPolarHBondContact O-CG2 3.42Å; L169-V172 PolarHBondContact O-N 3.33Å; L169-R173 VanDerWaalsContact O-CB 3.23Å; L169-R173 WeakPolarHBondContact O-CB 3.32Å; L169-R173 WeakPolarHBondContact O-CD 3.49Å; L169-R173 WeakPolarHBondContact O-CG 3.46Å; L169-R173 PolarHBondContact O-N 3.49Å; L169-T185 HydrophobicContact CB-CG2 3.78Å
170L98Very high96.4Very high0 Ų032.7 Ų32.70%015%0.153CC..Hα-helixtrans-62.2-46178.5-170.255.1000110.3C166 V167 R168 V172 R173 N174 G182 T185 F186 L208 E211 L215C166-L170 VanDerWaalsContact O-CB 3.29Å; C166-L170 WeakPolarHBondContact O-CB 3.48Å; C166-L170 PolarHBondContact O-N 3.48Å; V167-L170 PolarHBondContact O-N 3.49Å; R168-L170 VanDerWaalsContact C-N 3.32Å; L170-V172 PolarHBondContact O-N 2.95Å; L170-R173 PolarHBondContact O-N 3.38Å; L170-N174 WeakPolarHBondContact O-CB 3.41Å; L170-N174 PolarHBondContact O-N 2.9Å; L170-N174 PolarHBondContact O-ND2 3.25Å; L170-N174 PolarHBondContact O-OD1 2.73Å; L170-G182 VanDerWaalsContact CD1-CA 3.46Å; L170-G182 WeakPolarHBondContact CD1-O 3.46Å; L170-T185 HydrophobicContact CB-CG2 4.1Å; L170-F186 HydrophobicContact CD2-CB 4.24Å; L170-F186 HydrophobicContact CD2-CD2 4.23Å; L170-L208 HydrophobicContact CD2-CD1 4.27Å; L170-E211 HydrophobicContact CB-CB 4.2Å; L170-E211 HydrophobicContact CD2-CB 3.53Å; L170-E211 HydrophobicContact CG-CB 3.78Å; L170-L215 HydrophobicContact CD1-CD2 4.08Å
171H98Very high96.7Very high69 Ų6930.7 Ų30.732%0.31915%0.148SC..Hα-helixtrans-54-54.9174.8-175.678.3000113S131 V167 R168 L169 R173 N174 G175 E211S131-H171 PolarHBondContact OG-CD2 3.37Å; V167-H171 PolarHBondContact O-N 3.31Å; R168-H171 WeakPolarHBondContact O-CB 3.35Å; R168-H171 PolarHBondContact O-N 3.43Å; L169-H171 VanDerWaalsContact C-N 3.35Å; H171-R173 VanDerWaalsContact C-N 3.33Å; H171-R173 PolarHBondContact O-N 2.95Å; H171-N174 PolarHBondContact O-N 2.87Å; H171-G175 PolarHBondContact O-N 3.47Å; H171-E211 VanDerWaalsContact CA-OE2 3.27Å; H171-E211 WeakPolarHBondContact CA-OE2 3.37Å; H171-E211 HydrophobicContact CB-CG 4.43Å; H171-E211 WeakPolarHBondContact CB-OE1 3.15Å; H171-E211 IonicContact CE1-OE1 3.98Å; H171-E211 IonicContact CG-OE1 2.71Å; H171-E211 IonicContact ND1-OE1 3.28Å; H171-E211 PolarHBondContact ND1-OE1 3.12Å; H171-E211 IonicContact ND1-OE2 2.69Å
172V98.3Very high96.9Very high0 Ų028 Ų280%014%0.137CC..Hα-helixtrans-69.7-30.7-177.9-59.40000112.7S131 Y136 A139 E140 F143 R168 L169 L170 N176S131-V172 WeakPolarHBondContact OG-CG1 3.41Å; Y136-V172 HydrophobicContact CD1-CB 4.05Å; Y136-V172 HydrophobicContact CD1-CG1 3.99Å; Y136-V172 HydrophobicContact CG-CB 4.47Å; A139-V172 HydrophobicContact CB-CG1 3.95Å; E140-V172 HydrophobicContact CB-CG2 3.87Å; E140-V172 HydrophobicContact CG-CG2 4.41Å; F143-V172 HydrophobicContact CD2-CG1 4.27Å; F143-V172 HydrophobicContact CD2-CG2 4.19Å; F143-V172 HydrophobicContact CE2-CG1 3.79Å; R168-V172 WeakPolarHBondContact O-CG2 3.42Å; R168-V172 PolarHBondContact O-N 2.93Å; R168-V172 VanDerWaalsContact O-N 3.1Å; L169-V172 WeakPolarHBondContact O-CG2 3.42Å; L169-V172 PolarHBondContact O-N 3.33Å; L170-V172 PolarHBondContact O-N 2.95Å; V172-N176 WeakPolarHBondContact O-CB 3.32Å; V172-N176 PolarHBondContact O-N 2.82Å
173R98Very high97Very high22 Ų2231 Ų318%0.08315%0.151CC..Hα-helixtrans-70.1-41.1175.4-76.2171171.6-164.5-6.6111.3E140 L169 L170 H171 N176 C177 K178 L181 T185E140-R173 IonicContact OE1-CZ 3.93Å; E140-R173 VanDerWaalsContact OE1-CZ 3.31Å; E140-R173 IonicContact OE1-NE 3.22Å; E140-R173 PolarHBondContact OE1-NE 3.44Å; E140-R173 IonicContact OE1-NH2 3.69Å; E140-R173 PolarHBondContact OE1-NH2 2.95Å; L169-R173 VanDerWaalsContact O-CB 3.23Å; L169-R173 WeakPolarHBondContact O-CB 3.32Å; L169-R173 WeakPolarHBondContact O-CD 3.49Å; L169-R173 WeakPolarHBondContact O-CG 3.46Å; L169-R173 PolarHBondContact O-N 3.49Å; L170-R173 PolarHBondContact O-N 3.38Å; H171-R173 VanDerWaalsContact C-N 3.33Å; H171-R173 PolarHBondContact O-N 2.95Å; R173-N176 CarbonylContact O-C 3.55Å; R173-N176 PolarHBondContact O-N 3.48Å; R173-C177 PolarHBondContact O-N 3.39Å; R173-C177 VanDerWaalsContact O-N 3.17Å; R173-K178 HydrophobicContact CB-CB 4.23Å; R173-K178 HydrophobicContact CG-CB 4.37Å; R173-K178 PolarHBondContact O-N 3.45Å; R173-L181 HydrophobicContact CG-CB 4.38Å; R173-L181 PolarHBondContact NH1-O 2.94Å; R173-T185 WeakPolarHBondContact CD-OG1 3.34Å; R173-T185 PolarHBondContact NH1-OG1 3.48Å
174N96.9Very high97.1Very high17 Ų1735.6 Ų35.69%0.09117%0.172CC..Hα-helixtrans-61.4-51.7173.3-70.1-12.3000110.5L170 H171 N176 C177 E211 L215L170-N174 WeakPolarHBondContact O-CB 3.41Å; L170-N174 PolarHBondContact O-N 2.9Å; L170-N174 PolarHBondContact O-ND2 3.25Å; L170-N174 PolarHBondContact O-OD1 2.73Å; H171-N174 PolarHBondContact O-N 2.87Å; N174-N176 PolarHBondContact O-N 3.45Å; N174-C177 PolarHBondContact O-N 3.46Å; N174-E211 PolarHBondContact ND2-O 3.37Å; N174-E211 PolarHBondContact ND2-OE2 3.18Å; N174-L215 WeakPolarHBondContact OD1-CB 3.46Å; N174-L215 WeakPolarHBondContact OD1-CD1 3.45Å
175G94.9Very high97.3Very high25 Ų2533.1 Ų33.126%0.25816%0.161SC..Hα-helixtrans-61.5-27.5179.100000114.1Y136 H171Y136-G175 WeakPolarHBondContact CE2-O 3.44Å; H171-G175 PolarHBondContact O-N 3.47Å
176N95.9Very high97.3Very high17 Ų1733.9 Ų33.99%0.09116%0.164CC..THydrogen-bonded Turntrans-99.216.8177.3-154.527000113.5Y136 V172 R173 N174 K178 H372Y136-N176 HydrophobicContact CD2-CB 4.09Å; Y136-N176 HydrophobicContact CG-CB 4.29Å; V172-N176 WeakPolarHBondContact O-CB 3.32Å; V172-N176 PolarHBondContact O-N 2.82Å; R173-N176 CarbonylContact O-C 3.55Å; R173-N176 PolarHBondContact O-N 3.48Å; N174-N176 PolarHBondContact O-N 3.45Å; N176-K178 WeakPolarHBondContact ND2-CE 3.41Å; N176-K178 PolarHBondContact O-N 3.35Å; N176-K178 VanDerWaalsContact O-N 3.08Å; N176-H372 PolarHBondContact OD1-NE2 3.22Å
177C96.7Very high97.3Very high21 Ų2140.6 Ų40.614%0.14219%0.193CC..THydrogen-bonded Turntrans58.322177.3-58.30000115.7R173 N174 Y179 L373R173-C177 PolarHBondContact O-N 3.39Å; R173-C177 VanDerWaalsContact O-N 3.17Å; N174-C177 PolarHBondContact O-N 3.46Å; C177-Y179 VanDerWaalsContact C-N 3.28Å; C177-Y179 HydrophobicContact CB-CE2 4.31Å; C177-Y179 PolarHBondContact O-N 2.92Å; C177-L373 HydrophobicContact CB-CB 3.82Å; C177-L373 HydrophobicContact CB-CD2 3.79Å; C177-L373 HydrophobicContact CB-CG 4.32Å
178K96.6Very high97.3Very high68 Ų6842.7 Ų42.730%0.29620%0.203SC..  trans-90.155.9177.9-62-172.6-176174.90111.4E140 R173 N176 H180 L181 G182E140-K178 IonicContact OE2-NZ 3.43Å; E140-K178 PolarHBondContact OE2-NZ 2.86Å; R173-K178 HydrophobicContact CB-CB 4.23Å; R173-K178 HydrophobicContact CG-CB 4.37Å; R173-K178 PolarHBondContact O-N 3.45Å; N176-K178 WeakPolarHBondContact ND2-CE 3.41Å; N176-K178 PolarHBondContact O-N 3.35Å; N176-K178 VanDerWaalsContact O-N 3.08Å; K178-H180 PolarHBondContact O-N 3.02Å; K178-L181 HydrophobicContact CB-CB 4.37Å; K178-L181 HydrophobicContact CB-CD1 4.27Å; K178-L181 HydrophobicContact CB-CG 4.5Å; K178-L181 HydrophobicContact CD-CD1 3.96Å; K178-L181 PolarHBondContact O-N 3.49Å; K178-L181 VanDerWaalsContact O-N 3.16Å; K178-G182 PolarHBondContact O-N 3.26Å
179Y96.6Very high97.2Very high29 Ų2939.1 Ų39.111%0.11419%0.19CC..Hα-helixtrans-61.5-37.6-168.6-54.1-48.1000114.5C177 L181 G182 E183 L215 A218 K219 L373 F421C177-Y179 VanDerWaalsContact C-N 3.28Å; C177-Y179 HydrophobicContact CB-CE2 4.31Å; C177-Y179 PolarHBondContact O-N 2.92Å; Y179-L181 VanDerWaalsContact C-N 3.34Å; Y179-L181 PolarHBondContact O-N 3.4Å; Y179-G182 WeakPolarHBondContact O-CA 3.3Å; Y179-G182 PolarHBondContact O-N 2.98Å; Y179-E183 PolarHBondContact O-N 2.91Å; Y179-L215 HydrophobicContact CD1-CD1 3.77Å; Y179-L215 HydrophobicContact CG-CD1 4.12Å; Y179-A218 HydrophobicContact CD1-CB 4.36Å; Y179-A218 HydrophobicContact CE1-CB 3.64Å; Y179-K219 HydrophobicContact CD2-CG 4.46Å; Y179-K219 HydrophobicContact CG-CG 4.26Å; Y179-L373 HydrophobicContact CD2-CD2 4.43Å; Y179-L373 HydrophobicContact CE2-CD2 3.54Å; Y179-F421 HydrophobicContact CD2-CD1 4.45Å; Y179-F421 AromaticContact CD2-CE1 3.73Å; Y179-F421 HydrophobicContact CD2-CE1 3.73Å; Y179-F421 HydrophobicContact CD2-CZ 4.45Å; Y179-F421 HydrophobicContact CE2-CD1 4.49Å; Y179-F421 AromaticContact CE2-CE1 3.42Å; Y179-F421 HydrophobicContact CE2-CE1 3.42Å; Y179-F421 VanDerWaalsContact CE2-CE1 3.42Å; Y179-F421 AromaticContact CE2-CZ 3.73Å; Y179-F421 HydrophobicContact CE2-CZ 3.73Å
180H95.6Very high97.1Very high116 Ų11642.1 Ų42.154%0.53720%0.204SC..Hα-helixtrans-59.7-44.7176.467.4-83.4000111.7K178 G182 E183 E184K178-H180 PolarHBondContact O-N 3.02Å; H180-G182 VanDerWaalsContact C-N 3.27Å; H180-G182 PolarHBondContact O-N 3.16Å; H180-E183 PolarHBondContact O-N 3.46Å; H180-E184 PolarHBondContact O-N 3.45Å
181L97.4Very high96.9Very high36 Ų3644.1 Ų44.119%0.18822%0.218CC..Hα-helixtrans-67.2-30.6174.6-61.7-174.5000111.9R173 K178 Y179 E184 T185R173-L181 HydrophobicContact CG-CB 4.38Å; R173-L181 PolarHBondContact NH1-O 2.94Å; K178-L181 HydrophobicContact CB-CB 4.37Å; K178-L181 HydrophobicContact CB-CD1 4.27Å; K178-L181 HydrophobicContact CB-CG 4.5Å; K178-L181 HydrophobicContact CD-CD1 3.96Å; K178-L181 PolarHBondContact O-N 3.49Å; K178-L181 VanDerWaalsContact O-N 3.16Å; Y179-L181 VanDerWaalsContact C-N 3.34Å; Y179-L181 PolarHBondContact O-N 3.4Å; L181-E184 PolarHBondContact O-N 3.42Å; L181-T185 WeakPolarHBondContact O-CB 3.29Å; L181-T185 PolarHBondContact O-N 2.78Å; L181-T185 PolarHBondContact O-OG1 2.97Å
182G97.4Very high96.8Very high0 Ų041.9 Ų41.90%021%0.207CC..Hα-helixtrans-61.7-45.4173.200000112L170 K178 Y179 H180 E184 T185 F186L170-G182 VanDerWaalsContact CD1-CA 3.46Å; L170-G182 WeakPolarHBondContact CD1-O 3.46Å; K178-G182 PolarHBondContact O-N 3.26Å; Y179-G182 WeakPolarHBondContact O-CA 3.3Å; Y179-G182 PolarHBondContact O-N 2.98Å; H180-G182 VanDerWaalsContact C-N 3.27Å; H180-G182 PolarHBondContact O-N 3.16Å; G182-E184 VanDerWaalsContact C-N 3.34Å; G182-E184 PolarHBondContact O-N 3.47Å; G182-T185 WeakPolarHBondContact O-CB 3.36Å; G182-T185 PolarHBondContact O-N 3.07Å; G182-F186 PolarHBondContact O-N 3.49Å
183E97.3Very high96.5Very high63 Ų6342.9 Ų42.929%0.29421%0.212SC..Hα-helixtrans-61.7-41.7176.2-67.9179.512800112.2Y179 H180 F186 K187 L215 K219Y179-E183 PolarHBondContact O-N 2.91Å; H180-E183 PolarHBondContact O-N 3.46Å; E183-F186 PolarHBondContact O-N 2.85Å; E183-K187 WeakPolarHBondContact O-CG 3.39Å; E183-K187 PolarHBondContact O-N 3.06Å; E183-L215 HydrophobicContact CG-CD2 3.8Å; E183-K219 IonicContact OE1-NZ 3.82Å; E183-K219 PolarHBondContact OE1-NZ 3.13Å; E183-K219 IonicContact OE2-NZ 2.74Å; E183-K219 PolarHBondContact OE2-NZ 3.43Å
184E97.7Very high96.3Very high114 Ų11446.3 Ų46.353%0.53323%0.232SC..Hα-helixtrans-62.3-43.3173.6-68176-179.800111.8H180 L181 G182 F186 K187 L188H180-E184 PolarHBondContact O-N 3.45Å; L181-E184 PolarHBondContact O-N 3.42Å; G182-E184 VanDerWaalsContact C-N 3.34Å; G182-E184 PolarHBondContact O-N 3.47Å; E184-F186 VanDerWaalsContact C-N 3.34Å; E184-F186 PolarHBondContact O-N 3.39Å; E184-K187 PolarHBondContact O-N 2.68Å; E184-L188 WeakPolarHBondContact O-CB 3.45Å; E184-L188 PolarHBondContact O-N 3.28Å
185T98.3Very high96Very high4 Ų450.3 Ų50.33%0.02525%0.249CC..Hα-helixtrans-60.6-43175.7-63.60000111.9C166 L169 L170 R173 L181 G182 L188 A189C166-T185 HydrophobicContact CB-CG2 3.85Å; C166-T185 WeakPolarHBondContact O-CG2 3.35Å; L169-T185 HydrophobicContact CB-CG2 3.78Å; L170-T185 HydrophobicContact CB-CG2 4.1Å; R173-T185 WeakPolarHBondContact CD-OG1 3.34Å; R173-T185 PolarHBondContact NH1-OG1 3.48Å; L181-T185 WeakPolarHBondContact O-CB 3.29Å; L181-T185 PolarHBondContact O-N 2.78Å; L181-T185 PolarHBondContact O-OG1 2.97Å; G182-T185 WeakPolarHBondContact O-CB 3.36Å; G182-T185 PolarHBondContact O-N 3.07Å; T185-L188 PolarHBondContact O-N 2.97Å; T185-A189 PolarHBondContact O-N 3.36Å
186F97.9Very high95.9Very high16 Ų1649.2 Ų49.27%0.0724%0.237CC..Hα-helixtrans-63.8-46.5179.2178.3-99000111.3L170 G182 E183 E184 L188 A189 Q190 L208 Y209 L212L170-F186 HydrophobicContact CD2-CB 4.24Å; L170-F186 HydrophobicContact CD2-CD2 4.23Å; G182-F186 PolarHBondContact O-N 3.49Å; E183-F186 PolarHBondContact O-N 2.85Å; E184-F186 VanDerWaalsContact C-N 3.34Å; E184-F186 PolarHBondContact O-N 3.39Å; F186-L188 VanDerWaalsContact C-N 3.27Å; F186-L188 PolarHBondContact O-N 3.08Å; F186-A189 WeakPolarHBondContact O-CB 3.32Å; F186-A189 PolarHBondContact O-N 3.31Å; F186-A189 VanDerWaalsContact O-N 3.13Å; F186-Q190 HydrophobicContact CD1-CG 4.28Å; F186-Q190 HydrophobicContact CE1-CG 3.77Å; F186-Q190 VanDerWaalsContact CE1-NE2 3.26Å; F186-Q190 VanDerWaalsContact CE1-OE1 3.24Å; F186-Q190 HydrophobicContact CE2-CG 4.4Å; F186-Q190 HydrophobicContact CZ-CG 3.79Å; F186-Q190 WeakPolarHBondContact O-CG 3.39Å; F186-Q190 PolarHBondContact O-N 3.03Å; F186-L208 HydrophobicContact CD2-CD1 3.77Å; F186-L208 HydrophobicContact CD2-CD2 4.45Å; F186-L208 HydrophobicContact CD2-CG 4.02Å; F186-L208 HydrophobicContact CE2-CD1 4.1Å; F186-L208 HydrophobicContact CE2-CD2 4.07Å; F186-L208 HydrophobicContact CE2-CG 3.8Å; F186-Y209 HydrophobicContact CE2-CD1 4.47Å; F186-L212 HydrophobicContact CD1-CD1 4.14Å; F186-L212 HydrophobicContact CD1-CD2 4.45Å; F186-L212 HydrophobicContact CD2-CB 3.9Å; F186-L212 HydrophobicContact CD2-CD1 4.15Å; F186-L212 HydrophobicContact CD2-CD2 4.28Å; F186-L212 HydrophobicContact CD2-CG 4.32Å; F186-L212 HydrophobicContact CE1-CD1 4.33Å; F186-L212 HydrophobicContact CE1-CD2 3.84Å; F186-L212 HydrophobicContact CE2-CB 3.8Å; F186-L212 HydrophobicContact CE2-CD1 4.36Å; F186-L212 HydrophobicContact CE2-CD2 3.66Å; F186-L212 HydrophobicContact CE2-CG 4.13Å; F186-L212 HydrophobicContact CG-CD1 4.06Å; F186-L212 HydrophobicContact CZ-CB 4.46Å; F186-L212 HydrophobicContact CZ-CD1 4.48Å; F186-L212 HydrophobicContact CZ-CD2 3.45Å; F186-L212 VanDerWaalsContact CZ-CD2 3.45Å; F186-L212 HydrophobicContact CZ-CG 4.33Å
187K97.8Very high95.7Very high140 Ų14051.3 Ų51.361%0.60926%0.256SS*.Hα-helixtrans-58.4-40.9174.9-71172.8-176.3174.20111.7E183 E184 Q190 S191E183-K187 WeakPolarHBondContact O-CG 3.39Å; E183-K187 PolarHBondContact O-N 3.06Å; E184-K187 PolarHBondContact O-N 2.68Å; K187-Q190 PolarHBondContact O-N 3.01Å; K187-S191 PolarHBondContact O-N 3.35Å
188L96.8Very high95.4Very high64 Ų6458.9 Ų58.934%0.33529%0.287SS..Hα-helixtrans-63.5-44.6175.8-17761.6000111.5L147 E184 T185 F186 Q190 S191 Y192L147-L188 HydrophobicContact CD2-CD2 3.82Å; E184-L188 WeakPolarHBondContact O-CB 3.45Å; E184-L188 PolarHBondContact O-N 3.28Å; T185-L188 PolarHBondContact O-N 2.97Å; F186-L188 VanDerWaalsContact C-N 3.27Å; F186-L188 PolarHBondContact O-N 3.08Å; L188-Q190 VanDerWaalsContact C-N 3.33Å; L188-Q190 PolarHBondContact O-N 2.98Å; L188-S191 WeakPolarHBondContact O-CB 3.29Å; L188-S191 PolarHBondContact O-N 3.44Å; L188-S191 VanDerWaalsContact O-N 3.14Å; L188-S191 PolarHBondContact O-OG 3.03Å; L188-Y192 HydrophobicContact CD1-CD2 4.21Å; L188-Y192 HydrophobicContact CD1-CE2 3.63Å; L188-Y192 HydrophobicContact CD2-CE2 4.34Å; L188-Y192 HydrophobicContact CG-CD2 4.14Å; L188-Y192 HydrophobicContact CG-CE2 3.75Å; L188-Y192 VanDerWaalsContact O-CD2 3.28Å; L188-Y192 WeakPolarHBondContact O-CD2 3.46Å; L188-Y192 PolarHBondContact O-N 2.86Å
189A96.6Very high95.1Very high0 Ų061.7 Ų61.70%030%0.301CS..Hα-helixtrans-57.9-4517600000111.8C166 T185 F186 S191 Y192 M193 L208C166-A189 HydrophobicContact CB-CB 3.59Å; T185-A189 PolarHBondContact O-N 3.36Å; F186-A189 WeakPolarHBondContact O-CB 3.32Å; F186-A189 PolarHBondContact O-N 3.31Å; F186-A189 VanDerWaalsContact O-N 3.13Å; A189-S191 VanDerWaalsContact C-N 3.32Å; A189-S191 PolarHBondContact O-N 3.26Å; A189-Y192 PolarHBondContact O-N 3.38Å; A189-M193 PolarHBondContact O-N 3.31Å; A189-L208 HydrophobicContact CB-CD1 3.67Å; A189-L208 HydrophobicContact CB-CD2 3.9Å; A189-L208 HydrophobicContact CB-CG 4.47Å
190Q95.9Very high94.8Very high63 Ų6363.6 Ų63.629%0.29433%0.329SS..Hα-helixtrans-58.7-43.5175.4-70.7-177.3-55.300111.5F186 K187 L188 Y192 M193 D194F186-Q190 HydrophobicContact CD1-CG 4.28Å; F186-Q190 HydrophobicContact CE1-CG 3.77Å; F186-Q190 VanDerWaalsContact CE1-NE2 3.26Å; F186-Q190 VanDerWaalsContact CE1-OE1 3.24Å; F186-Q190 HydrophobicContact CE2-CG 4.4Å; F186-Q190 HydrophobicContact CZ-CG 3.79Å; F186-Q190 WeakPolarHBondContact O-CG 3.39Å; F186-Q190 PolarHBondContact O-N 3.03Å; K187-Q190 PolarHBondContact O-N 3.01Å; L188-Q190 VanDerWaalsContact C-N 3.33Å; L188-Q190 PolarHBondContact O-N 2.98Å; Q190-Y192 VanDerWaalsContact C-N 3.27Å; Q190-Y192 PolarHBondContact O-N 3.47Å; Q190-M193 WeakPolarHBondContact O-CB 3.17Å; Q190-M193 PolarHBondContact O-N 2.85Å; Q190-M193 VanDerWaalsContact O-N 3.09Å; Q190-D194 VanDerWaalsContact O-CG 3.31Å; Q190-D194 PolarHBondContact O-N 3.38Å
191S95Very high94.5Very high43 Ų4361.5 Ų61.530%0.30132%0.319SS..Hα-helixtrans-60.3-35.3178.382.90000113.2K187 L188 A189 K195K187-S191 PolarHBondContact O-N 3.35Å; L188-S191 WeakPolarHBondContact O-CB 3.29Å; L188-S191 PolarHBondContact O-N 3.44Å; L188-S191 VanDerWaalsContact O-N 3.14Å; L188-S191 PolarHBondContact O-OG 3.03Å; A189-S191 VanDerWaalsContact C-N 3.32Å; A189-S191 PolarHBondContact O-N 3.26Å; S191-K195 WeakPolarHBondContact O-CG 3.36Å; S191-K195 PolarHBondContact O-N 3.31Å
192Y94.3Very high93.9Very high21 Ų2168.7 Ų68.78%0.08235%0.352CS..Hα-helixtrans-74.3-37.6174.5-75.4-69000112.1L147 T151 C159 A162 L188 A189 Q190 D194 K195 L196L147-Y192 HydrophobicContact CD1-CE2 4.41Å; T151-Y192 WeakPolarHBondContact CG2-OH 3.29Å; C159-Y192 HydrophobicContact CB-CD1 4.28Å; A162-Y192 HydrophobicContact CB-CD1 3.87Å; A162-Y192 HydrophobicContact CB-CD2 3.74Å; A162-Y192 HydrophobicContact CB-CE1 3.82Å; A162-Y192 HydrophobicContact CB-CE2 3.69Å; A162-Y192 HydrophobicContact CB-CG 3.84Å; L188-Y192 HydrophobicContact CD1-CD2 4.21Å; L188-Y192 HydrophobicContact CD1-CE2 3.63Å; L188-Y192 HydrophobicContact CD2-CE2 4.34Å; L188-Y192 HydrophobicContact CG-CD2 4.14Å; L188-Y192 HydrophobicContact CG-CE2 3.75Å; L188-Y192 VanDerWaalsContact O-CD2 3.28Å; L188-Y192 WeakPolarHBondContact O-CD2 3.46Å; L188-Y192 PolarHBondContact O-N 2.86Å; A189-Y192 PolarHBondContact O-N 3.38Å; Q190-Y192 VanDerWaalsContact C-N 3.27Å; Q190-Y192 PolarHBondContact O-N 3.47Å; Y192-D194 VanDerWaalsContact C-N 3.34Å; Y192-K195 HydrophobicContact CD1-CD 4.25Å; Y192-K195 WeakPolarHBondContact O-CB 3.43Å; Y192-K195 PolarHBondContact O-N 3.22Å; Y192-L196 WeakPolarHBondContact O-CG 3.08Å; Y192-L196 PolarHBondContact O-N 3.4Å
193M93.5Very high93.4Very high21 Ų2169.7 Ų69.710%0.10336%0.36CS..Hα-helixtrans-62.9-40.5173.3-74.418022.500112.5V163 A189 Q190 K195 L196 A197 K205 L208V163-M193 HydrophobicContact CG1-CG 4.27Å; V163-M193 HydrophobicContact CG2-CG 3.89Å; A189-M193 PolarHBondContact O-N 3.31Å; Q190-M193 WeakPolarHBondContact O-CB 3.17Å; Q190-M193 PolarHBondContact O-N 2.85Å; Q190-M193 VanDerWaalsContact O-N 3.09Å; M193-K195 VanDerWaalsContact C-N 3.29Å; M193-K195 PolarHBondContact O-N 3.25Å; M193-L196 WeakPolarHBondContact O-CB 3.19Å; M193-L196 PolarHBondContact O-N 2.9Å; M193-A197 WeakPolarHBondContact O-CB 3.48Å; M193-A197 PolarHBondContact O-N 2.99Å; M193-K205 HydrophobicContact CE-CD 3.51Å; M193-K205 HydrophobicContact CE-CG 3.73Å; M193-K205 HydrophobicContact SD-CG 4.22Å; M193-L208 HydrophobicContact CE-CD2 4.43Å; M193-L208 HydrophobicContact SD-CD2 3.33Å; M193-L208 WeakPolarHBondContact SD-CD2 3.36Å
194D92.7Very high93.1Very high95 Ų9570 Ų7051%0.50836%0.364SS..Hα-helixtrans-63.7-38.1175.6-68-19.9000111Q190 Y192 A197 K198Q190-D194 VanDerWaalsContact O-CG 3.31Å; Q190-D194 PolarHBondContact O-N 3.38Å; Y192-D194 VanDerWaalsContact C-N 3.34Å; D194-A197 PolarHBondContact O-N 3.33Å; D194-K198 VanDerWaalsContact O-CG 3.28Å; D194-K198 WeakPolarHBondContact O-CG 3.33Å; D194-K198 PolarHBondContact O-N 2.74Å
195K91.8Very high93Very high101 Ų10167.7 Ų67.744%0.43935%0.352SS..Hα-helixtrans-62-45172-73.1172-176.6176.80111.5S191 Y192 M193 K198 H199S191-K195 WeakPolarHBondContact O-CG 3.36Å; S191-K195 PolarHBondContact O-N 3.31Å; Y192-K195 HydrophobicContact CD1-CD 4.25Å; Y192-K195 WeakPolarHBondContact O-CB 3.43Å; Y192-K195 PolarHBondContact O-N 3.22Å; M193-K195 VanDerWaalsContact C-N 3.29Å; M193-K195 PolarHBondContact O-N 3.25Å; K195-K198 PolarHBondContact O-N 3.49Å; K195-H199 PolarHBondContact O-N 3.46Å; K195-H199 PolarHBondContact O-ND1 3.08Å
196L92.3Very high92.9Very high2 Ų267.5 Ų67.51%0.0135%0.351CS..Hα-helixtrans-60.7-47.8176.3-71.2172.6000111.3V156 C159 Y160 V163 Y192 M193 K198 H199 G200 H201 A203V156-L196 HydrophobicContact CG1-CD2 3.69Å; C159-L196 HydrophobicContact CB-CD1 4.5Å; C159-L196 HydrophobicContact CB-CD2 3.63Å; C159-L196 HydrophobicContact CB-CG 3.91Å; Y160-L196 HydrophobicContact CD1-CD1 3.87Å; Y160-L196 HydrophobicContact CD2-CD1 4.35Å; Y160-L196 HydrophobicContact CD2-CD2 3.65Å; Y160-L196 HydrophobicContact CE1-CD1 4Å; Y160-L196 HydrophobicContact CE2-CD1 4.45Å; Y160-L196 HydrophobicContact CE2-CD2 3.66Å; Y160-L196 HydrophobicContact CG-CD1 4.07Å; Y160-L196 HydrophobicContact CG-CD2 4.17Å; V163-L196 HydrophobicContact CG2-CD1 4.26Å; Y192-L196 WeakPolarHBondContact O-CG 3.08Å; Y192-L196 PolarHBondContact O-N 3.4Å; M193-L196 WeakPolarHBondContact O-CB 3.19Å; M193-L196 PolarHBondContact O-N 2.9Å; L196-K198 VanDerWaalsContact C-N 3.32Å; L196-K198 PolarHBondContact O-N 3.34Å; L196-H199 CarbonylContact O-C 3.58Å; L196-H199 WeakPolarHBondContact O-CA 3.32Å; L196-H199 PolarHBondContact O-N 3.02Å; L196-G200 PolarHBondContact O-N 3.32Å; L196-H201 CarbonylContact C-O 3.57Å; L196-H201 VanDerWaalsContact C-O 3.24Å; L196-H201 HydrophobicContact CB-CB 4.15Å; L196-H201 HydrophobicContact CD2-CB 4.32Å; L196-H201 WeakPolarHBondContact O-CB 3.42Å; L196-H201 PolarHBondContact O-N 3.03Å; L196-A203 HydrophobicContact CD1-CB 4.28Å
197A92.1Very high92.8Very high61 Ų6168.4 Ų68.450%0.50436%0.361SS..Hα-helixtrans-59.9-40.9179.800000112.3M193 D194 H199 G200 H201M193-A197 WeakPolarHBondContact O-CB 3.48Å; M193-A197 PolarHBondContact O-N 2.99Å; D194-A197 PolarHBondContact O-N 3.33Å; A197-H199 PolarHBondContact O-N 3.05Å; A197-G200 PolarHBondContact O-N 3.42Å; A197-H201 WeakPolarHBondContact CA-O 3.49Å; A197-H201 PolarHBondContact N-O 3.31Å
198K90.7Very high92.8Very high179 Ų17961.9 Ų61.978%0.77833%0.333SS*.Hα-helixtrans-60.1-27.9174.3-76.1173.7-176.4179.90113.5D194 K195 L196 G200D194-K198 VanDerWaalsContact O-CG 3.28Å; D194-K198 WeakPolarHBondContact O-CG 3.33Å; D194-K198 PolarHBondContact O-N 2.74Å; K195-K198 PolarHBondContact O-N 3.49Å; L196-K198 VanDerWaalsContact C-N 3.32Å; L196-K198 PolarHBondContact O-N 3.34Å; K198-G200 VanDerWaalsContact C-N 3.32Å
199H89.8Confident92.9Very high128 Ų12859.9 Ų59.959%0.59332%0.321SS*.THydrogen-bonded Turntrans-9313.2176-66.482.3000112.6V156 K195 L196 A197 H201V156-H199 HydrophobicContact CG2-CB 4.39Å; K195-H199 PolarHBondContact O-N 3.46Å; K195-H199 PolarHBondContact O-ND1 3.08Å; L196-H199 CarbonylContact O-C 3.58Å; L196-H199 WeakPolarHBondContact O-CA 3.32Å; L196-H199 PolarHBondContact O-N 3.02Å; A197-H199 PolarHBondContact O-N 3.05Å; H199-H201 VanDerWaalsContact C-N 3.3Å; H199-H201 PolarHBondContact O-CD2 3.13Å; H199-H201 VanDerWaalsContact O-CD2 3.23Å; H199-H201 PolarHBondContact O-N 3.31Å
200G90.4Very high93Very high68 Ų6860.2 Ų60.270%0.70132%0.324SS*.THydrogen-bonded Turntrans77.910.8178.900000114.6L196 A197 K198L196-G200 PolarHBondContact O-N 3.32Å; A197-G200 PolarHBondContact O-N 3.42Å; K198-G200 VanDerWaalsContact C-N 3.32Å
201H89.8Confident93.1Very high73 Ų7358.3 Ų58.334%0.33832%0.316SS..PPolyproline II helixtrans-98.4125.8-179.5-69.5-77000111.1Y160 L196 A197 H199Y160-H201 HydrophobicContact CE2-CB 4.23Å; Y160-H201 WeakPolarHBondContact OH-CB 3.23Å; L196-H201 CarbonylContact C-O 3.57Å; L196-H201 VanDerWaalsContact C-O 3.24Å; L196-H201 HydrophobicContact CB-CB 4.15Å; L196-H201 HydrophobicContact CD2-CB 4.32Å; L196-H201 WeakPolarHBondContact O-CB 3.42Å; L196-H201 PolarHBondContact O-N 3.03Å; A197-H201 WeakPolarHBondContact CA-O 3.49Å; A197-H201 PolarHBondContact N-O 3.31Å; H199-H201 VanDerWaalsContact C-N 3.3Å; H199-H201 PolarHBondContact O-CD2 3.13Å; H199-H201 VanDerWaalsContact O-CD2 3.23Å; H199-H201 PolarHBondContact O-N 3.31Å
202Q84.9Confident93.2Very high186 Ų18656.8 Ų56.887%0.86930%0.304SS*.PPolyproline II helixtrans-103.4124.9172.7-65-166.8-900110.1
203A86.3Confident93.4Very high22 Ų2255.9 Ų55.918%0.18230%0.301CS..PPolyproline II helixtrans-102.7136.617200000109Y160 L196 K205Y160-A203 HydrophobicContact CD1-CB 4.35Å; Y160-A203 HydrophobicContact CE1-CB 3.81Å; L196-A203 HydrophobicContact CD1-CB 4.28Å; A203-K205 WeakPolarHBondContact O-CG 3.49Å
204N90.7Very high93.6Very high68 Ų6855.7 Ų55.736%0.36430%0.302SS..PPolyproline II helixtrans-63.4135.6171.4-176.1-71.9000109.7A206 E235 L240N204-A206 WeakPolarHBondContact OD1-CB 3.44Å; N204-A206 PolarHBondContact OD1-N 2.99Å; N204-E235 PolarHBondContact ND2-O 2.97Å; N204-L240 HydrophobicContact CB-CD2 4.5Å
205K95.3Very high93.9Very high67 Ų6751.2 Ų51.229%0.29128%0.278SS..  trans-106.2-0.6-170.7-50.2174.2-1711720113.4M193 A203 A207 L208 Y209 E235M193-K205 HydrophobicContact CE-CD 3.51Å; M193-K205 HydrophobicContact CE-CG 3.73Å; M193-K205 HydrophobicContact SD-CG 4.22Å; A203-K205 WeakPolarHBondContact O-CG 3.49Å; K205-A207 PolarHBondContact O-N 3.46Å; K205-L208 PolarHBondContact O-N 3.09Å; K205-L208 VanDerWaalsContact O-N 3.12Å; K205-Y209 HydrophobicContact CB-CD1 4.23Å; K205-Y209 HydrophobicContact CB-CD2 3.82Å; K205-Y209 HydrophobicContact CB-CE1 4.01Å; K205-Y209 HydrophobicContact CB-CE2 3.58Å; K205-Y209 HydrophobicContact CB-CG 4.16Å; K205-Y209 HydrophobicContact CD-CE1 4.18Å; K205-Y209 HydrophobicContact CD-CE2 3.78Å; K205-Y209 VanDerWaalsContact CD-CZ 3.42Å; K205-Y209 WeakPolarHBondContact CD-OH 3.41Å; K205-Y209 HydrophobicContact CG-CE2 4.35Å; K205-Y209 WeakPolarHBondContact O-CB 3.45Å; K205-Y209 PolarHBondContact O-N 3.34Å; K205-E235 HydrophobicContact CB-CG 4.02Å; K205-E235 PolarHBondContact N-OE2 3.39Å
206A96.4Very high94.2Very high0 Ų046.8 Ų46.80%026%0.26CS..Hα-helixtrans-52.9-49.5-173.300000112.6N204 Y209 G210 E235 L240 V244 V248N204-A206 WeakPolarHBondContact OD1-CB 3.44Å; N204-A206 PolarHBondContact OD1-N 2.99Å; A206-Y209 PolarHBondContact O-N 3Å; A206-G210 PolarHBondContact O-N 3.46Å; A206-E235 HydrophobicContact CB-CB 3.74Å; A206-L240 HydrophobicContact CB-CD1 3.88Å; A206-V244 HydrophobicContact CB-CG1 4.04Å; A206-V248 HydrophobicContact CB-CG2 4.39Å
207A96.6Very high94.4Very high35 Ų3548.6 Ų48.629%0.28927%0.267SS..Hα-helixtrans-66-41.4-179.600000112.5V167 K205 G210 E211 V244V167-A207 HydrophobicContact CG1-CB 3.99Å; K205-A207 PolarHBondContact O-N 3.46Å; A207-G210 PolarHBondContact O-N 3.28Å; A207-E211 WeakPolarHBondContact O-CG 3.08Å; A207-E211 PolarHBondContact O-N 3.48Å; A207-E211 VanDerWaalsContact O-N 3.1Å; A207-V244 HydrophobicContact CB-CG1 3.82Å; A207-V244 HydrophobicContact CB-CG2 4.14Å
208L97.8Very high94.6Very high3 Ų347 Ų472%0.01625%0.254CS..Hα-helixtrans-65.8-43.9178.2179.764.5000111.5V167 L170 F186 A189 M193 K205 E211 L212V167-L208 HydrophobicContact CG2-CB 3.86Å; V167-L208 HydrophobicContact CG2-CD1 3.97Å; L170-L208 HydrophobicContact CD2-CD1 4.27Å; F186-L208 HydrophobicContact CD2-CD1 3.77Å; F186-L208 HydrophobicContact CD2-CD2 4.45Å; F186-L208 HydrophobicContact CD2-CG 4.02Å; F186-L208 HydrophobicContact CE2-CD1 4.1Å; F186-L208 HydrophobicContact CE2-CD2 4.07Å; F186-L208 HydrophobicContact CE2-CG 3.8Å; A189-L208 HydrophobicContact CB-CD1 3.67Å; A189-L208 HydrophobicContact CB-CD2 3.9Å; A189-L208 HydrophobicContact CB-CG 4.47Å; M193-L208 HydrophobicContact CE-CD2 4.43Å; M193-L208 HydrophobicContact SD-CD2 3.33Å; M193-L208 WeakPolarHBondContact SD-CD2 3.36Å; K205-L208 PolarHBondContact O-N 3.09Å; K205-L208 VanDerWaalsContact O-N 3.12Å; L208-E211 PolarHBondContact O-N 3.38Å; L208-L212 PolarHBondContact O-N 2.94Å
209Y98.3Very high94.9Very high22 Ų2240.1 Ų40.19%0.08622%0.224CC..Hα-helixtrans-67.7-39.2177.7-66.3-13.4000111.5F186 K205 A206 E211 L212 C213 W228 E231 E235F186-Y209 HydrophobicContact CE2-CD1 4.47Å; K205-Y209 HydrophobicContact CB-CD1 4.23Å; K205-Y209 HydrophobicContact CB-CD2 3.82Å; K205-Y209 HydrophobicContact CB-CE1 4.01Å; K205-Y209 HydrophobicContact CB-CE2 3.58Å; K205-Y209 HydrophobicContact CB-CG 4.16Å; K205-Y209 HydrophobicContact CD-CE1 4.18Å; K205-Y209 HydrophobicContact CD-CE2 3.78Å; K205-Y209 VanDerWaalsContact CD-CZ 3.42Å; K205-Y209 WeakPolarHBondContact CD-OH 3.41Å; K205-Y209 HydrophobicContact CG-CE2 4.35Å; K205-Y209 WeakPolarHBondContact O-CB 3.45Å; K205-Y209 PolarHBondContact O-N 3.34Å; A206-Y209 PolarHBondContact O-N 3Å; Y209-E211 VanDerWaalsContact C-N 3.33Å; Y209-E211 PolarHBondContact O-N 3.38Å; Y209-L212 WeakPolarHBondContact O-CB 3.45Å; Y209-L212 PolarHBondContact O-N 3.33Å; Y209-C213 PolarHBondContact O-N 3.3Å; Y209-C213 PolarHBondContact O-SG 2.8Å; Y209-W228 AromaticContact CD1-CE3 3.88Å; Y209-W228 HydrophobicContact CD1-CE3 3.88Å; Y209-W228 AromaticContact CD1-CZ3 3.65Å; Y209-W228 HydrophobicContact CD1-CZ3 3.65Å; Y209-W228 HydrophobicContact CD2-CE3 4.32Å; Y209-W228 HydrophobicContact CD2-CZ3 4.26Å; Y209-W228 HydrophobicContact CE1-CE3 4.03Å; Y209-W228 HydrophobicContact CE1-CH2 4.05Å; Y209-W228 AromaticContact CE1-CZ3 3.31Å; Y209-W228 HydrophobicContact CE1-CZ3 3.31Å; Y209-W228 HydrophobicContact CE2-CE3 4.45Å; Y209-W228 AromaticContact CE2-CZ3 3.97Å; Y209-W228 HydrophobicContact CE2-CZ3 3.97Å; Y209-W228 HydrophobicContact CG-CE3 4.02Å; Y209-W228 HydrophobicContact CG-CZ3 4.1Å; Y209-W228 AromaticContact CZ-CZ3 3.46Å; Y209-W228 VanDerWaalsContact CZ-CZ3 3.46Å; Y209-E231 HydrophobicContact CD2-CB 4.03Å; Y209-E231 HydrophobicContact CE2-CB 4.09Å; Y209-E235 HydrophobicContact CD2-CG 4.1Å; Y209-E235 HydrophobicContact CE2-CG 4.17Å
210G97.6Very high95.1Very high6 Ų634.6 Ų34.66%0.06220%0.2CC..Hα-helixtrans-57.5-43.117300000113A206 A207 C213 A214A206-G210 PolarHBondContact O-N 3.46Å; A207-G210 PolarHBondContact O-N 3.28Å; G210-C213 WeakPolarHBondContact O-CB 3.35Å; G210-C213 PolarHBondContact O-N 3.47Å; G210-A214 PolarHBondContact O-N 2.79Å
211E98Very high95.4Very high24 Ų2434.6 Ų34.611%0.11218%0.182CC..Hα-helixtrans-70.6-33.1176.2-72.2-59.5158.400113.3V167 L170 H171 N174 A207 L208 Y209 A214 L215V167-E211 HydrophobicContact CG1-CG 4.16Å; L170-E211 HydrophobicContact CB-CB 4.2Å; L170-E211 HydrophobicContact CD2-CB 3.53Å; L170-E211 HydrophobicContact CG-CB 3.78Å; H171-E211 VanDerWaalsContact CA-OE2 3.27Å; H171-E211 WeakPolarHBondContact CA-OE2 3.37Å; H171-E211 HydrophobicContact CB-CG 4.43Å; H171-E211 WeakPolarHBondContact CB-OE1 3.15Å; H171-E211 IonicContact CE1-OE1 3.98Å; H171-E211 IonicContact CG-OE1 2.71Å; H171-E211 IonicContact ND1-OE1 3.28Å; H171-E211 PolarHBondContact ND1-OE1 3.12Å; H171-E211 IonicContact ND1-OE2 2.69Å; N174-E211 PolarHBondContact ND2-O 3.37Å; N174-E211 PolarHBondContact ND2-OE2 3.18Å; A207-E211 WeakPolarHBondContact O-CG 3.08Å; A207-E211 PolarHBondContact O-N 3.48Å; A207-E211 VanDerWaalsContact O-N 3.1Å; L208-E211 PolarHBondContact O-N 3.38Å; Y209-E211 VanDerWaalsContact C-N 3.33Å; Y209-E211 PolarHBondContact O-N 3.38Å; E211-A214 PolarHBondContact O-N 3.36Å; E211-L215 PolarHBondContact O-N 2.88Å
212L98.5Very high95.6Very high11 Ų1132.3 Ų32.36%0.05817%0.17CC..Hα-helixtrans-64.6-42.6169.7176.365.3000111.3F186 L208 Y209 A214 L215 L216 W228F186-L212 HydrophobicContact CD1-CD1 4.14Å; F186-L212 HydrophobicContact CD1-CD2 4.45Å; F186-L212 HydrophobicContact CD2-CB 3.9Å; F186-L212 HydrophobicContact CD2-CD1 4.15Å; F186-L212 HydrophobicContact CD2-CD2 4.28Å; F186-L212 HydrophobicContact CD2-CG 4.32Å; F186-L212 HydrophobicContact CE1-CD1 4.33Å; F186-L212 HydrophobicContact CE1-CD2 3.84Å; F186-L212 HydrophobicContact CE2-CB 3.8Å; F186-L212 HydrophobicContact CE2-CD1 4.36Å; F186-L212 HydrophobicContact CE2-CD2 3.66Å; F186-L212 HydrophobicContact CE2-CG 4.13Å; F186-L212 HydrophobicContact CG-CD1 4.06Å; F186-L212 HydrophobicContact CZ-CB 4.46Å; F186-L212 HydrophobicContact CZ-CD1 4.48Å; F186-L212 HydrophobicContact CZ-CD2 3.45Å; F186-L212 VanDerWaalsContact CZ-CD2 3.45Å; F186-L212 HydrophobicContact CZ-CG 4.33Å; L208-L212 PolarHBondContact O-N 2.94Å; Y209-L212 WeakPolarHBondContact O-CB 3.45Å; Y209-L212 PolarHBondContact O-N 3.33Å; L212-A214 VanDerWaalsContact C-N 3.3Å; L212-A214 PolarHBondContact O-N 3.24Å; L212-L215 HydrophobicContact CD1-CD2 4.33Å; L212-L215 WeakPolarHBondContact O-CB 3.24Å; L212-L215 PolarHBondContact O-N 3.31Å; L212-L216 HydrophobicContact CD1-CD1 3.98Å; L212-L216 HydrophobicContact CD1-CG 3.94Å; L212-L216 HydrophobicContact CD2-CD1 4.19Å; L212-L216 HydrophobicContact CG-CD1 3.76Å; L212-L216 HydrophobicContact CG-CG 4.18Å; L212-L216 WeakPolarHBondContact O-CB 3.16Å; L212-L216 WeakPolarHBondContact O-CG 3.36Å; L212-L216 PolarHBondContact O-N 3.4Å; L212-W228 HydrophobicContact CD2-CB 4.4Å; L212-W228 HydrophobicContact CD2-CD2 3.43Å; L212-W228 VanDerWaalsContact CD2-CD2 3.43Å; L212-W228 VanDerWaalsContact CD2-CE2 3.42Å; L212-W228 HydrophobicContact CD2-CE3 4Å; L212-W228 HydrophobicContact CD2-CG 3.62Å; L212-W228 HydrophobicContact CD2-CH2 4.48Å; L212-W228 HydrophobicContact CD2-CZ2 3.96Å; L212-W228 HydrophobicContact CG-CG 4.41Å
213C98.3Very high96Very high2 Ų227.5 Ų27.51%0.01415%0.15CC..Hα-helixtrans-58.1-45176.2-66.30000111.1Y209 G210 L215 L216 F217 W228 C229 Q251Y209-C213 PolarHBondContact O-N 3.3Å; Y209-C213 PolarHBondContact O-SG 2.8Å; G210-C213 WeakPolarHBondContact O-CB 3.35Å; G210-C213 PolarHBondContact O-N 3.47Å; C213-L215 PolarHBondContact O-N 3.17Å; C213-L216 PolarHBondContact O-N 3.32Å; C213-F217 VanDerWaalsContact O-CB 3.22Å; C213-F217 WeakPolarHBondContact O-CB 3.16Å; C213-F217 PolarHBondContact O-N 3.28Å; C213-W228 VanDerWaalsContact SG-CB 3.53Å; C213-C229 VanDerWaalsContact SG-CA 3.6Å; C213-C229 PolarHBondContact SG-N 3.42Å; C213-C229 PolarHBondContact SG-SG 3.32Å; C213-Q251 HydrophobicContact CB-CB 4.09Å
214A97.8Very high96.5Very high16 Ų1630.2 Ų30.213%0.13216%0.159CC..Hα-helixtrans-59.4-44.517600000112G210 E211 L212 F217 A218 Q251G210-A214 PolarHBondContact O-N 2.79Å; E211-A214 PolarHBondContact O-N 3.36Å; L212-A214 VanDerWaalsContact C-N 3.3Å; L212-A214 PolarHBondContact O-N 3.24Å; A214-F217 PolarHBondContact O-N 2.9Å; A214-A218 WeakPolarHBondContact O-CB 3.36Å; A214-A218 PolarHBondContact O-N 3.42Å; A214-Q251 HydrophobicContact CB-CG 4.47Å
215L98.2Very high96.8Very high1 Ų127 Ų271%0.00514%0.142CC..Hα-helixtrans-60.9-51.2176.2172.260.1000112L170 N174 Y179 E183 E211 L212 C213 F217 A218 K219L170-L215 HydrophobicContact CD1-CD2 4.08Å; N174-L215 WeakPolarHBondContact OD1-CB 3.46Å; N174-L215 WeakPolarHBondContact OD1-CD1 3.45Å; Y179-L215 HydrophobicContact CD1-CD1 3.77Å; Y179-L215 HydrophobicContact CG-CD1 4.12Å; E183-L215 HydrophobicContact CG-CD2 3.8Å; E211-L215 PolarHBondContact O-N 2.88Å; L212-L215 HydrophobicContact CD1-CD2 4.33Å; L212-L215 WeakPolarHBondContact O-CB 3.24Å; L212-L215 PolarHBondContact O-N 3.31Å; C213-L215 PolarHBondContact O-N 3.17Å; L215-F217 VanDerWaalsContact C-N 3.31Å; L215-F217 PolarHBondContact O-N 3.35Å; L215-A218 PolarHBondContact O-N 3.21Å; L215-K219 HydrophobicContact CD1-CD 4.03Å; L215-K219 HydrophobicContact CD1-CG 4.26Å; L215-K219 HydrophobicContact CG-CD 4.49Å; L215-K219 WeakPolarHBondContact O-CG 3.4Å; L215-K219 PolarHBondContact O-N 3.25Å
216L98.1Very high96.9Very high9 Ų925 Ų255%0.04713%0.133CC..Hα-helixtrans-63.4-40-179.2-70170.9000111.3L212 C213 K219 S220 H221 E224 A225 W228L212-L216 HydrophobicContact CD1-CD1 3.98Å; L212-L216 HydrophobicContact CD1-CG 3.94Å; L212-L216 HydrophobicContact CD2-CD1 4.19Å; L212-L216 HydrophobicContact CG-CD1 3.76Å; L212-L216 HydrophobicContact CG-CG 4.18Å; L212-L216 WeakPolarHBondContact O-CB 3.16Å; L212-L216 WeakPolarHBondContact O-CG 3.36Å; L212-L216 PolarHBondContact O-N 3.4Å; C213-L216 PolarHBondContact O-N 3.32Å; L216-K219 CarbonylContact O-C 3.59Å; L216-K219 PolarHBondContact O-N 3.1Å; L216-S220 PolarHBondContact O-N 3.15Å; L216-S220 VanDerWaalsContact O-N 3.16Å; L216-H221 HydrophobicContact CB-CB 4.28Å; L216-H221 HydrophobicContact CD2-CB 4.02Å; L216-H221 PolarHBondContact O-N 3.45Å; L216-E224 HydrophobicContact CD1-CB 3.96Å; L216-E224 HydrophobicContact CD2-CB 4.34Å; L216-A225 HydrophobicContact CB-CB 3.76Å; L216-W228 HydrophobicContact CD1-CB 4.46Å; L216-W228 VanDerWaalsContact CD1-CD1 3.45Å; L216-W228 HydrophobicContact CD1-CG 4.18Å
217F97.3Very high96.9Very high39 Ų3931.6 Ų31.617%0.17116%0.158CC..Hα-helixtrans-61.9-47.8174.8-170.9-84000111.3C213 A214 L215 K219 S220 Y222 A225 K254 V258 F296C213-F217 VanDerWaalsContact O-CB 3.22Å; C213-F217 WeakPolarHBondContact O-CB 3.16Å; C213-F217 PolarHBondContact O-N 3.28Å; A214-F217 PolarHBondContact O-N 2.9Å; L215-F217 VanDerWaalsContact C-N 3.31Å; L215-F217 PolarHBondContact O-N 3.35Å; F217-K219 PolarHBondContact O-N 2.84Å; F217-S220 WeakPolarHBondContact O-CA 3.21Å; F217-S220 PolarHBondContact O-N 2.89Å; F217-Y222 AromaticContact CD2-CD1 3.99Å; F217-Y222 HydrophobicContact CD2-CD1 3.99Å; F217-Y222 HydrophobicContact CD2-CE1 4.17Å; F217-Y222 HydrophobicContact CE2-CD1 4.13Å; F217-Y222 HydrophobicContact CE2-CE1 4.11Å; F217-Y222 HydrophobicContact CG-CE1 4.44Å; F217-Y222 HydrophobicContact CZ-CE1 4.32Å; F217-A225 HydrophobicContact CB-CB 4.37Å; F217-K254 HydrophobicContact CD2-CB 4.32Å; F217-K254 HydrophobicContact CE1-CD 4.42Å; F217-K254 HydrophobicContact CE2-CB 3.83Å; F217-K254 HydrophobicContact CZ-CB 4.06Å; F217-K254 HydrophobicContact CZ-CD 4.43Å; F217-V258 HydrophobicContact CE2-CB 4.47Å; F217-V258 HydrophobicContact CE2-CG2 3.52Å; F217-V258 HydrophobicContact CZ-CG2 3.79Å; F217-F296 HydrophobicContact CZ-CZ 4.23Å
218A96.1Very high97Very high28 Ų2833 Ų3323%0.23116%0.156CC..Hα-helixtrans-60.9-34.2177.700000112.5Y179 A214 L215 S220 F421Y179-A218 HydrophobicContact CD1-CB 4.36Å; Y179-A218 HydrophobicContact CE1-CB 3.64Å; A214-A218 WeakPolarHBondContact O-CB 3.36Å; A214-A218 PolarHBondContact O-N 3.42Å; L215-A218 PolarHBondContact O-N 3.21Å; A218-S220 PolarHBondContact O-N 3.22Å; A218-F421 WeakPolarHBondContact O-CE1 3.23Å
219K96.4Very high97Very high35 Ų3532.9 Ų32.915%0.15216%0.156CC..THydrogen-bonded Turntrans-78.8-0.9173.4-67.7-173.168.5172.40114.2Y179 E183 L215 L216 F217 H221 N425Y179-K219 HydrophobicContact CD2-CG 4.46Å; Y179-K219 HydrophobicContact CG-CG 4.26Å; E183-K219 IonicContact OE1-NZ 3.82Å; E183-K219 PolarHBondContact OE1-NZ 3.13Å; E183-K219 IonicContact OE2-NZ 2.74Å; E183-K219 PolarHBondContact OE2-NZ 3.43Å; L215-K219 HydrophobicContact CD1-CD 4.03Å; L215-K219 HydrophobicContact CD1-CG 4.26Å; L215-K219 HydrophobicContact CG-CD 4.49Å; L215-K219 WeakPolarHBondContact O-CG 3.4Å; L215-K219 PolarHBondContact O-N 3.25Å; L216-K219 CarbonylContact O-C 3.59Å; L216-K219 PolarHBondContact O-N 3.1Å; F217-K219 PolarHBondContact O-N 2.84Å; K219-H221 VanDerWaalsContact C-N 3.28Å; K219-H221 PolarHBondContact O-CD2 3.24Å; K219-H221 PolarHBondContact O-N 3.48Å; K219-N425 PolarHBondContact O-ND2 3.41Å
220S95.6Very high96.9Very high11 Ų1132.7 Ų32.78%0.07716%0.156CC..THydrogen-bonded Turntrans64.722.8-174.9-51.10000115.2L216 F217 A218 Y222 Q427L216-S220 PolarHBondContact O-N 3.15Å; L216-S220 VanDerWaalsContact O-N 3.16Å; F217-S220 WeakPolarHBondContact O-CA 3.21Å; F217-S220 PolarHBondContact O-N 2.89Å; A218-S220 PolarHBondContact O-N 3.22Å; S220-Y222 WeakPolarHBondContact O-CD2 3.4Å; S220-Y222 PolarHBondContact O-N 3.43Å; S220-Y222 VanDerWaalsContact O-N 3.08Å; S220-Y222 PolarHBondContact OG-OH 3.35Å; S220-Q427 WeakPolarHBondContact OG-CG 3.46Å; S220-Q427 PolarHBondContact OG-NE2 3.39Å
221H95.8Very high96.9Very high69 Ų6936 Ų3632%0.31917%0.17SC..  trans-84.961.4172.7-65.6-166.9000109.9L216 K219 D223 E224 A225L216-H221 HydrophobicContact CB-CB 4.28Å; L216-H221 HydrophobicContact CD2-CB 4.02Å; L216-H221 PolarHBondContact O-N 3.45Å; K219-H221 VanDerWaalsContact C-N 3.28Å; K219-H221 PolarHBondContact O-CD2 3.24Å; K219-H221 PolarHBondContact O-N 3.48Å; H221-D223 PolarHBondContact O-N 2.88Å; H221-E224 HydrophobicContact CB-CB 4.38Å; H221-E224 PolarHBondContact O-N 3.19Å; H221-A225 WeakPolarHBondContact O-CB 3.43Å; H221-A225 PolarHBondContact O-N 2.97Å
222Y94.3Very high96.9Very high25 Ų2534.9 Ų34.910%0.09817%0.165CC..Hα-helixtrans-64.2-36.2-164.2-56.5-57.9000114.4F217 S220 A225 Y226 V258 V426 Q427 L463F217-Y222 AromaticContact CD2-CD1 3.99Å; F217-Y222 HydrophobicContact CD2-CD1 3.99Å; F217-Y222 HydrophobicContact CD2-CE1 4.17Å; F217-Y222 HydrophobicContact CE2-CD1 4.13Å; F217-Y222 HydrophobicContact CE2-CE1 4.11Å; F217-Y222 HydrophobicContact CG-CE1 4.44Å; F217-Y222 HydrophobicContact CZ-CE1 4.32Å; S220-Y222 WeakPolarHBondContact O-CD2 3.4Å; S220-Y222 PolarHBondContact O-N 3.43Å; S220-Y222 VanDerWaalsContact O-N 3.08Å; S220-Y222 PolarHBondContact OG-OH 3.35Å; Y222-A225 PolarHBondContact O-N 3.28Å; Y222-Y226 WeakPolarHBondContact O-CB 3.44Å; Y222-Y226 PolarHBondContact O-N 3.04Å; Y222-V258 HydrophobicContact CD1-CB 4.35Å; Y222-V258 HydrophobicContact CD1-CG1 3.84Å; Y222-V258 HydrophobicContact CD1-CG2 4.31Å; Y222-V258 HydrophobicContact CD2-CG1 3.65Å; Y222-V258 HydrophobicContact CE1-CG1 4.22Å; Y222-V258 HydrophobicContact CE1-CG2 4.32Å; Y222-V258 HydrophobicContact CE2-CG1 4.05Å; Y222-V258 HydrophobicContact CG-CB 4.42Å; Y222-V258 HydrophobicContact CG-CG1 3.53Å; Y222-V426 HydrophobicContact CE2-CB 4.45Å; Y222-V426 HydrophobicContact CE2-CG1 4.35Å; Y222-V426 HydrophobicContact CE2-CG2 4.23Å; Y222-Q427 PolarHBondContact OH-NE2 3.42Å; Y222-L463 HydrophobicContact CD2-CD2 4Å; Y222-L463 HydrophobicContact CE2-CD2 4.37Å
223D93.7Very high96.8Very high84 Ų8434.4 Ų34.445%0.44916%0.162SC..Hα-helixtrans-68-38.5177.8-74.6-21.4000112.6H221 R227 K259H221-D223 PolarHBondContact O-N 2.88Å; D223-R227 WeakPolarHBondContact O-CB 3.5Å; D223-R227 WeakPolarHBondContact O-CG 3.33Å; D223-R227 PolarHBondContact O-N 3.3Å; D223-R227 VanDerWaalsContact O-N 3.09Å; D223-R227 PolarHBondContact O-NE 3.2Å; D223-K259 WeakPolarHBondContact OD1-CE 3.33Å; D223-K259 IonicContact OD1-NZ 2.91Å; D223-K259 PolarHBondContact OD1-NZ 3.4Å
224E96.4Very high96.7Very high79 Ų7939.6 Ų39.637%0.36918%0.184SC..Hα-helixtrans-69.7-42.8173.6-68.7178.7-141.500110.7L216 H221 Y226 R227 W228L216-E224 HydrophobicContact CD1-CB 3.96Å; L216-E224 HydrophobicContact CD2-CB 4.34Å; H221-E224 HydrophobicContact CB-CB 4.38Å; H221-E224 PolarHBondContact O-N 3.19Å; E224-Y226 VanDerWaalsContact C-N 3.33Å; E224-Y226 PolarHBondContact O-N 3.24Å; E224-R227 VanDerWaalsContact CG-NH2 3.27Å; E224-R227 PolarHBondContact O-N 2.97Å; E224-W228 VanDerWaalsContact O-CD1 3.27Å; E224-W228 PolarHBondContact O-N 3.27Å
225A97.1Very high96.6Very high1 Ų141.1 Ų41.11%0.00819%0.189CC..Hα-helixtrans-57.4-47176.600000111.2L216 F217 H221 Y222 W228 C229L216-A225 HydrophobicContact CB-CB 3.76Å; F217-A225 HydrophobicContact CB-CB 4.37Å; H221-A225 WeakPolarHBondContact O-CB 3.43Å; H221-A225 PolarHBondContact O-N 2.97Å; Y222-A225 PolarHBondContact O-N 3.28Å; A225-W228 PolarHBondContact O-N 3.5Å; A225-C229 PolarHBondContact O-N 3.44Å; A225-C229 PolarHBondContact O-SG 3.34Å
226Y96.3Very high96.5Very high26 Ų2642.4 Ų42.410%0.10220%0.195CC..Hα-helixtrans-61.6-45.2176.6-176.5-97.5000111.8Y222 E224 W228 C229 I230 A255 K259 E261 K264 Q578Y222-Y226 WeakPolarHBondContact O-CB 3.44Å; Y222-Y226 PolarHBondContact O-N 3.04Å; E224-Y226 VanDerWaalsContact C-N 3.33Å; E224-Y226 PolarHBondContact O-N 3.24Å; Y226-W228 PolarHBondContact O-N 2.96Å; Y226-C229 WeakPolarHBondContact O-CB 3.26Å; Y226-C229 PolarHBondContact O-N 2.92Å; Y226-C229 VanDerWaalsContact O-N 3.15Å; Y226-I230 HydrophobicContact CD1-CD1 4.03Å; Y226-I230 HydrophobicContact CE1-CD1 3.77Å; Y226-I230 HydrophobicContact CE1-CG1 4.39Å; Y226-I230 WeakPolarHBondContact O-CG1 3.38Å; Y226-I230 PolarHBondContact O-N 2.9Å; Y226-A255 HydrophobicContact CD2-CB 4.01Å; Y226-K259 HydrophobicContact CD2-CB 4.41Å; Y226-K259 HydrophobicContact CD2-CG 3.82Å; Y226-K259 HydrophobicContact CE2-CG 4.44Å; Y226-K259 HydrophobicContact CG-CG 3.9Å; Y226-E261 WeakPolarHBondContact CE2-OE2 3.38Å; Y226-E261 PolarHBondContact OH-OE1 3.24Å; Y226-E261 PolarHBondContact OH-OE2 3.17Å; Y226-K264 PolarHBondContact OH-NZ 3.16Å; Y226-Q578 PolarHBondContact OH-NE2 2.84Å
227R97.3Very high96.3Very high137 Ų13745.4 Ų45.452%0.51721%0.214SC..Hα-helixtrans-58.4-45.4175.6-80.6-179.3-84.3133.2-10112.5D223 E224 C229 I230 E231D223-R227 WeakPolarHBondContact O-CB 3.5Å; D223-R227 WeakPolarHBondContact O-CG 3.33Å; D223-R227 PolarHBondContact O-N 3.3Å; D223-R227 VanDerWaalsContact O-N 3.09Å; D223-R227 PolarHBondContact O-NE 3.2Å; E224-R227 VanDerWaalsContact CG-NH2 3.27Å; E224-R227 PolarHBondContact O-N 2.97Å; R227-C229 VanDerWaalsContact C-N 3.32Å; R227-C229 PolarHBondContact O-N 3.33Å; R227-I230 WeakPolarHBondContact O-CB 3.18Å; R227-I230 PolarHBondContact O-N 3.23Å; R227-E231 PolarHBondContact O-N 3.38Å
228W97.9Very high95.9Very high64 Ų6448.5 Ų48.524%0.24224%0.238CC..Hα-helixtrans-69.8-28.3177-80.2107.4000113.3Y209 L212 C213 L216 E224 A225 Y226 I230 E231 A232Y209-W228 AromaticContact CD1-CE3 3.88Å; Y209-W228 HydrophobicContact CD1-CE3 3.88Å; Y209-W228 AromaticContact CD1-CZ3 3.65Å; Y209-W228 HydrophobicContact CD1-CZ3 3.65Å; Y209-W228 HydrophobicContact CD2-CE3 4.32Å; Y209-W228 HydrophobicContact CD2-CZ3 4.26Å; Y209-W228 HydrophobicContact CE1-CE3 4.03Å; Y209-W228 HydrophobicContact CE1-CH2 4.05Å; Y209-W228 AromaticContact CE1-CZ3 3.31Å; Y209-W228 HydrophobicContact CE1-CZ3 3.31Å; Y209-W228 HydrophobicContact CE2-CE3 4.45Å; Y209-W228 AromaticContact CE2-CZ3 3.97Å; Y209-W228 HydrophobicContact CE2-CZ3 3.97Å; Y209-W228 HydrophobicContact CG-CE3 4.02Å; Y209-W228 HydrophobicContact CG-CZ3 4.1Å; Y209-W228 AromaticContact CZ-CZ3 3.46Å; Y209-W228 VanDerWaalsContact CZ-CZ3 3.46Å; L212-W228 HydrophobicContact CD2-CB 4.4Å; L212-W228 HydrophobicContact CD2-CD2 3.43Å; L212-W228 VanDerWaalsContact CD2-CD2 3.43Å; L212-W228 VanDerWaalsContact CD2-CE2 3.42Å; L212-W228 HydrophobicContact CD2-CE3 4Å; L212-W228 HydrophobicContact CD2-CG 3.62Å; L212-W228 HydrophobicContact CD2-CH2 4.48Å; L212-W228 HydrophobicContact CD2-CZ2 3.96Å; L212-W228 HydrophobicContact CG-CG 4.41Å; C213-W228 VanDerWaalsContact SG-CB 3.53Å; L216-W228 HydrophobicContact CD1-CB 4.46Å; L216-W228 VanDerWaalsContact CD1-CD1 3.45Å; L216-W228 HydrophobicContact CD1-CG 4.18Å; E224-W228 VanDerWaalsContact O-CD1 3.27Å; E224-W228 PolarHBondContact O-N 3.27Å; A225-W228 PolarHBondContact O-N 3.5Å; Y226-W228 PolarHBondContact O-N 2.96Å; W228-I230 VanDerWaalsContact C-N 3.26Å; W228-I230 PolarHBondContact O-N 3.09Å; W228-E231 HydrophobicContact CE3-CB 4.08Å; W228-E231 HydrophobicContact CE3-CG 4.37Å; W228-E231 HydrophobicContact CZ3-CB 4.43Å; W228-E231 PolarHBondContact O-N 3.49Å; W228-A232 WeakPolarHBondContact O-CB 3.48Å; W228-A232 PolarHBondContact O-N 2.89Å
229C97.7Very high95.5Very high2 Ų251.1 Ų51.11%0.01427%0.268CS..Hα-helixtrans-62.9-37.2173-71.80000110.7C213 A225 Y226 R227 A232 M233 A252C213-C229 VanDerWaalsContact SG-CA 3.6Å; C213-C229 PolarHBondContact SG-N 3.42Å; C213-C229 PolarHBondContact SG-SG 3.32Å; A225-C229 PolarHBondContact O-N 3.44Å; A225-C229 PolarHBondContact O-SG 3.34Å; Y226-C229 WeakPolarHBondContact O-CB 3.26Å; Y226-C229 PolarHBondContact O-N 2.92Å; Y226-C229 VanDerWaalsContact O-N 3.15Å; R227-C229 VanDerWaalsContact C-N 3.32Å; R227-C229 PolarHBondContact O-N 3.33Å; C229-A232 PolarHBondContact O-N 3.23Å; C229-M233 WeakPolarHBondContact O-CB 3.37Å; C229-M233 WeakPolarHBondContact O-CG 3.42Å; C229-M233 PolarHBondContact O-N 3.18Å; C229-A252 HydrophobicContact CB-CB 3.95Å
230I96.8Very high95.4Very high18 Ų1851 Ų519%0.09227%0.268CS..Hα-helixtrans-62.3-46.6175-59160.8000110.5Y226 R227 W228 A232 M233 K234 F574 L575 Q578Y226-I230 HydrophobicContact CD1-CD1 4.03Å; Y226-I230 HydrophobicContact CE1-CD1 3.77Å; Y226-I230 HydrophobicContact CE1-CG1 4.39Å; Y226-I230 WeakPolarHBondContact O-CG1 3.38Å; Y226-I230 PolarHBondContact O-N 2.9Å; R227-I230 WeakPolarHBondContact O-CB 3.18Å; R227-I230 PolarHBondContact O-N 3.23Å; W228-I230 VanDerWaalsContact C-N 3.26Å; W228-I230 PolarHBondContact O-N 3.09Å; I230-A232 VanDerWaalsContact C-N 3.35Å; I230-M233 PolarHBondContact O-N 3.33Å; I230-K234 WeakPolarHBondContact O-CG 3.48Å; I230-K234 PolarHBondContact O-N 3.07Å; I230-K234 VanDerWaalsContact O-N 3.1Å; I230-F574 HydrophobicContact CG1-CE1 4.28Å; I230-F574 HydrophobicContact CG1-CZ 4.37Å; I230-L575 HydrophobicContact CG2-CD2 3.89Å; I230-Q578 VanDerWaalsContact CD1-OE1 3.24Å
231E97.6Very high95.4Very high75 Ų7554.3 Ų54.335%0.3529%0.29SS..Hα-helixtrans-64.3-39.6177-60.3-50.5128.400111.8Y209 R227 W228 M233 K234 E235Y209-E231 HydrophobicContact CD2-CB 4.03Å; Y209-E231 HydrophobicContact CE2-CB 4.09Å; R227-E231 PolarHBondContact O-N 3.38Å; W228-E231 HydrophobicContact CE3-CB 4.08Å; W228-E231 HydrophobicContact CE3-CG 4.37Å; W228-E231 HydrophobicContact CZ3-CB 4.43Å; W228-E231 PolarHBondContact O-N 3.49Å; E231-M233 VanDerWaalsContact C-N 3.33Å; E231-M233 PolarHBondContact O-N 3.08Å; E231-K234 PolarHBondContact O-N 2.9Å; E231-K234 IonicContact OE1-NZ 2.67Å; E231-K234 PolarHBondContact OE1-NZ 3.24Å; E231-K234 IonicContact OE2-NZ 3.24Å; E231-K234 PolarHBondContact OE2-NZ 2.91Å; E231-E235 WeakPolarHBondContact O-CG 3.49Å; E231-E235 PolarHBondContact O-N 3.19Å
232A97.5Very high95.4Very high1 Ų152.8 Ų52.81%0.00829%0.285CS..Hα-helixtrans-61.9-40.3174.400000112.2W228 C229 I230 E235 V248W228-A232 WeakPolarHBondContact O-CB 3.48Å; W228-A232 PolarHBondContact O-N 2.89Å; C229-A232 PolarHBondContact O-N 3.23Å; I230-A232 VanDerWaalsContact C-N 3.35Å; A232-E235 PolarHBondContact O-N 3.43Å; A232-V248 HydrophobicContact CB-CG1 3.69Å; A232-V248 HydrophobicContact CB-CG2 4.32Å
233M96.6Very high95.5Very high0 Ų056 Ų560%030%0.3CS..Hα-helixtrans-66.3-35.4178.3-71.9-73.2-77.600112.2C229 I230 E231 E235 I236 V248 L249 A252 L268 V571 F574 L575C229-M233 WeakPolarHBondContact O-CB 3.37Å; C229-M233 WeakPolarHBondContact O-CG 3.42Å; C229-M233 PolarHBondContact O-N 3.18Å; I230-M233 PolarHBondContact O-N 3.33Å; E231-M233 VanDerWaalsContact C-N 3.33Å; E231-M233 PolarHBondContact O-N 3.08Å; M233-E235 PolarHBondContact O-N 3.19Å; M233-I236 WeakPolarHBondContact O-CB 3.43Å; M233-I236 PolarHBondContact O-N 3Å; M233-I236 HydrophobicContact SD-CD1 3.66Å; M233-V248 HydrophobicContact CG-CG1 4.11Å; M233-V248 HydrophobicContact SD-CG1 3.8Å; M233-L249 HydrophobicContact CE-CD2 3.91Å; M233-L249 HydrophobicContact SD-CD2 3.94Å; M233-A252 HydrophobicContact CG-CB 4.3Å; M233-A252 HydrophobicContact SD-CB 4.34Å; M233-L268 HydrophobicContact CE-CD2 3.62Å; M233-V571 HydrophobicContact CB-CG1 4.5Å; M233-V571 HydrophobicContact CE-CB 4.09Å; M233-V571 HydrophobicContact CE-CG1 4.17Å; M233-V571 HydrophobicContact CE-CG2 3.69Å; M233-V571 WeakPolarHBondContact O-CG1 3.49Å; M233-V571 HydrophobicContact SD-CG2 4.37Å; M233-F574 HydrophobicContact CB-CD1 4.19Å; M233-F574 HydrophobicContact CB-CE1 4.22Å; M233-F574 HydrophobicContact CE-CB 4.01Å; M233-F574 HydrophobicContact CE-CD1 3.65Å; M233-F574 HydrophobicContact CE-CE1 4.38Å; M233-F574 HydrophobicContact CE-CG 3.92Å; M233-F574 HydrophobicContact CG-CD1 3.93Å; M233-F574 HydrophobicContact CG-CE1 3.82Å; M233-L575 HydrophobicContact CB-CD2 4.25Å
234K96.4Very high95.6Very high112 Ų11253.3 Ų53.349%0.48729%0.286SS..Hα-helixtrans-64.8-27.1174.7-69.6171-175166.70113.1I230 E231 I236 L575I230-K234 WeakPolarHBondContact O-CG 3.48Å; I230-K234 PolarHBondContact O-N 3.07Å; I230-K234 VanDerWaalsContact O-N 3.1Å; E231-K234 PolarHBondContact O-N 2.9Å; E231-K234 IonicContact OE1-NZ 2.67Å; E231-K234 PolarHBondContact OE1-NZ 3.24Å; E231-K234 IonicContact OE2-NZ 3.24Å; E231-K234 PolarHBondContact OE2-NZ 2.91Å; K234-I236 PolarHBondContact O-N 2.89Å; K234-L575 HydrophobicContact CG-CD1 4.19Å; K234-L575 HydrophobicContact CG-CD2 4.19Å
235E96.5Very high95.7Very high48 Ų4850.1 Ų50.122%0.22427%0.272CS..THydrogen-bonded Turntrans-80.2-4.9178.2-64.6-79.3155.700112.4N204 K205 A206 Y209 E231 A232 M233 T237 L240N204-E235 PolarHBondContact ND2-O 2.97Å; K205-E235 HydrophobicContact CB-CG 4.02Å; K205-E235 PolarHBondContact N-OE2 3.39Å; A206-E235 HydrophobicContact CB-CB 3.74Å; Y209-E235 HydrophobicContact CD2-CG 4.1Å; Y209-E235 HydrophobicContact CE2-CG 4.17Å; E231-E235 WeakPolarHBondContact O-CG 3.49Å; E231-E235 PolarHBondContact O-N 3.19Å; A232-E235 PolarHBondContact O-N 3.43Å; M233-E235 PolarHBondContact O-N 3.19Å; E235-T237 PolarHBondContact O-N 3.35Å; E235-L240 WeakPolarHBondContact O-CD1 3.31Å
236I95.8Very high95.8Very high27 Ų2750 Ų5014%0.13827%0.272CS..  trans-73.4111.2178.1-63.1176.9000110.6M233 K234 V245 V248 T567 V571M233-I236 WeakPolarHBondContact O-CB 3.43Å; M233-I236 PolarHBondContact O-N 3Å; M233-I236 HydrophobicContact SD-CD1 3.66Å; K234-I236 PolarHBondContact O-N 2.89Å; I236-V245 HydrophobicContact CG2-CG2 4.32Å; I236-V248 HydrophobicContact CD1-CB 4.24Å; I236-V248 HydrophobicContact CD1-CG1 3.89Å; I236-V248 HydrophobicContact CG1-CG1 4.46Å; I236-T567 HydrophobicContact CG2-CG2 4.4Å; I236-V571 HydrophobicContact CB-CG2 4.38Å; I236-V571 HydrophobicContact CD1-CG2 3.87Å; I236-V571 HydrophobicContact CG2-CG2 4.23Å
237T92.5Very high95.8Very high72 Ų7250.3 Ų50.344%0.44228%0.275SS..  trans-123.2159.8179.259.80000112.4E235 G239 L240E235-T237 PolarHBondContact O-N 3.35Å; T237-G239 PolarHBondContact O-N 3.07Å; T237-L240 PolarHBondContact O-N 2.99Å
238P89.1Confident95.9Very high105 Ų10543.9 Ų43.968%0.68225%0.251SS*.THydrogen-bonded Turntrans-54.3128.9167.7-23.733.6000111Q568P238-Q568 VanDerWaalsContact CG-NE2 3.26Å
239G88.4Confident95.9Very high82 Ų8240.9 Ų40.985%0.84524%0.239SC*.THydrogen-bonded Turntrans98-4.8178.200000115.2T237T237-G239 PolarHBondContact O-N 3.07Å
240L93.8Very high95.9Very high33 Ų3341.8 Ų41.817%0.17324%0.242CC..SBendtrans-62.1142.8166.3-88.4177.1000111.2N204 A206 E235 T237 V242 V245N204-L240 HydrophobicContact CB-CD2 4.5Å; A206-L240 HydrophobicContact CB-CD1 3.88Å; E235-L240 WeakPolarHBondContact O-CD1 3.31Å; T237-L240 PolarHBondContact O-N 2.99Å; L240-V242 PolarHBondContact O-N 3.22Å; L240-V245 HydrophobicContact CB-CG2 4.05Å
241P95.3Very high96Very high80 Ų8042.1 Ų42.152%0.51924%0.244SC..  trans-57130.5173.1-23.533.4000111K243 V244 V245P241-K243 PolarHBondContact O-N 2.81Å; P241-K243 VanDerWaalsContact O-N 3.08Å; P241-V244 HydrophobicContact CB-CG2 4.26Å; P241-V244 HydrophobicContact CG-CG2 4.47Å; P241-V244 WeakPolarHBondContact O-CB 2.99Å; P241-V244 PolarHBondContact O-N 3.39Å; P241-V245 PolarHBondContact O-N 3.4Å
242V96.1Very high96Very high38 Ų3838.5 Ų38.523%0.2323%0.227CC..Hα-helixtrans-56.1-31.5-177.968.50000112.9L240 V244 V245 I246 L275 H279 F280L240-V242 PolarHBondContact O-N 3.22Å; V242-V244 VanDerWaalsContact C-N 3.29Å; V242-V244 PolarHBondContact O-N 3.1Å; V242-V245 PolarHBondContact O-N 3.48Å; V242-I246 HydrophobicContact CG2-CD1 3.96Å; V242-I246 HydrophobicContact CG2-CG1 4.33Å; V242-I246 WeakPolarHBondContact O-CG1 3.14Å; V242-I246 PolarHBondContact O-N 3.17Å; V242-L275 HydrophobicContact CG2-CB 4.43Å; V242-H279 HydrophobicContact CG1-CB 4.09Å; V242-F280 HydrophobicContact CG1-CE2 3.96Å; V242-F280 HydrophobicContact CG1-CZ 3.94Å
243K96Very high96.1Very high92 Ų9238.5 Ų38.540%0.423%0.227SC..Hα-helixtrans-55.7-43.8174.1-170.2178.5-179174.30111.6D132 P241 D247 F280D132-K243 IonicContact OD1-NZ 2.69Å; D132-K243 PolarHBondContact OD1-NZ 2.83Å; P241-K243 PolarHBondContact O-N 2.81Å; P241-K243 VanDerWaalsContact O-N 3.08Å; K243-D247 PolarHBondContact O-N 3.34Å; K243-D247 VanDerWaalsContact O-N 3.12Å; K243-D247 VanDerWaalsContact O-OD2 3.05Å; K243-F280 HydrophobicContact CB-CZ 4.25Å
244V97.3Very high96.1Very high28 Ų2839.9 Ų39.917%0.1723%0.233CC..Hα-helixtrans-69.8-43.6-179.7176.60000110.6A206 A207 P241 V242 I246 D247 V248A206-V244 HydrophobicContact CB-CG1 4.04Å; A207-V244 HydrophobicContact CB-CG1 3.82Å; A207-V244 HydrophobicContact CB-CG2 4.14Å; P241-V244 HydrophobicContact CB-CG2 4.26Å; P241-V244 HydrophobicContact CG-CG2 4.47Å; P241-V244 WeakPolarHBondContact O-CB 2.99Å; P241-V244 PolarHBondContact O-N 3.39Å; V242-V244 VanDerWaalsContact C-N 3.29Å; V242-V244 PolarHBondContact O-N 3.1Å; V244-I246 PolarHBondContact O-N 3.18Å; V244-D247 PolarHBondContact O-N 2.92Å; V244-V248 HydrophobicContact CG1-CG2 4.46Å; V244-V248 WeakPolarHBondContact O-CG2 3.27Å; V244-V248 PolarHBondContact O-N 3.18Å
245V98.1Very high96.2Very high11 Ų1134.6 Ų34.67%0.06721%0.21CC..Hα-helixtrans-57.9-49.5176.7176.10000110.4I236 L240 P241 V242 D247 V248 L249 L275 T567I236-V245 HydrophobicContact CG2-CG2 4.32Å; L240-V245 HydrophobicContact CB-CG2 4.05Å; P241-V245 PolarHBondContact O-N 3.4Å; V242-V245 PolarHBondContact O-N 3.48Å; V245-D247 VanDerWaalsContact C-N 3.31Å; V245-D247 PolarHBondContact O-N 2.8Å; V245-V248 PolarHBondContact O-N 3.29Å; V245-L249 HydrophobicContact CG1-CD1 3.95Å; V245-L249 HydrophobicContact CG1-CG 4.42Å; V245-L249 VanDerWaalsContact O-CG 3.26Å; V245-L249 WeakPolarHBondContact O-CG 3.5Å; V245-L249 PolarHBondContact O-N 2.89Å; V245-L275 HydrophobicContact CG1-CD1 4.06Å; V245-T567 HydrophobicContact CG1-CG2 3.65Å
246I98.1Very high96.2Very high0 Ų032.3 Ų32.30%020%0.2CC..Hα-helixtrans-56.5-46176.9-70.4162.4000110.9V242 V244 L249 R250 A272 L275 A276 F280 K286 T290V242-I246 HydrophobicContact CG2-CD1 3.96Å; V242-I246 HydrophobicContact CG2-CG1 4.33Å; V242-I246 WeakPolarHBondContact O-CG1 3.14Å; V242-I246 PolarHBondContact O-N 3.17Å; V244-I246 PolarHBondContact O-N 3.18Å; I246-L249 PolarHBondContact O-N 3.37Å; I246-R250 HydrophobicContact CG2-CG 4.29Å; I246-R250 WeakPolarHBondContact O-CB 3.22Å; I246-R250 WeakPolarHBondContact O-CD 3.13Å; I246-R250 WeakPolarHBondContact O-CG 3.48Å; I246-R250 PolarHBondContact O-N 3.32Å; I246-A272 HydrophobicContact CG2-CB 4.43Å; I246-L275 HydrophobicContact CD1-CB 3.95Å; I246-L275 HydrophobicContact CG1-CB 3.72Å; I246-L275 HydrophobicContact CG1-CD1 4.24Å; I246-A276 HydrophobicContact CD1-CB 4.04Å; I246-F280 HydrophobicContact CD1-CD2 4.31Å; I246-F280 HydrophobicContact CD1-CE2 3.7Å; I246-K286 HydrophobicContact CG2-CD 4.47Å; I246-T290 HydrophobicContact CG2-CG2 3.57Å
247D97.9Very high96.2Very high31 Ų3131 Ų3117%0.16619%0.193CC..Hα-helixtrans-64.1-43.1-179.5-73-33.9000112.9K243 V244 V245 L249 R250 Q251 K286K243-D247 PolarHBondContact O-N 3.34Å; K243-D247 VanDerWaalsContact O-N 3.12Å; K243-D247 VanDerWaalsContact O-OD2 3.05Å; V244-D247 PolarHBondContact O-N 2.92Å; V245-D247 VanDerWaalsContact C-N 3.31Å; V245-D247 PolarHBondContact O-N 2.8Å; D247-L249 PolarHBondContact O-N 3.31Å; D247-R250 PolarHBondContact O-N 2.98Å; D247-R250 IonicContact OD1-CZ 3.5Å; D247-R250 IonicContact OD1-NH1 3.95Å; D247-R250 PolarHBondContact OD1-NH1 2.92Å; D247-Q251 WeakPolarHBondContact O-CG 3.43Å; D247-Q251 PolarHBondContact O-N 3.29Å; D247-K286 IonicContact OD1-NZ 3.99Å; D247-K286 PolarHBondContact OD1-NZ 3.07Å; D247-K286 IonicContact OD2-NZ 3.78Å; D247-K286 PolarHBondContact OD2-NZ 3.05Å
248V98.4Very high96.2Very high3 Ų328.7 Ų28.72%0.01818%0.178CC..Hα-helixtrans-62.5-44.4176.7174.90000111A206 A232 M233 I236 V244 V245 R250 Q251 A252A206-V248 HydrophobicContact CB-CG2 4.39Å; A232-V248 HydrophobicContact CB-CG1 3.69Å; A232-V248 HydrophobicContact CB-CG2 4.32Å; M233-V248 HydrophobicContact CG-CG1 4.11Å; M233-V248 HydrophobicContact SD-CG1 3.8Å; I236-V248 HydrophobicContact CD1-CB 4.24Å; I236-V248 HydrophobicContact CD1-CG1 3.89Å; I236-V248 HydrophobicContact CG1-CG1 4.46Å; V244-V248 HydrophobicContact CG1-CG2 4.46Å; V244-V248 WeakPolarHBondContact O-CG2 3.27Å; V244-V248 PolarHBondContact O-N 3.18Å; V245-V248 PolarHBondContact O-N 3.29Å; V248-R250 PolarHBondContact O-N 3.35Å; V248-Q251 PolarHBondContact O-N 3.04Å; V248-A252 VanDerWaalsContact O-CB 3.31Å; V248-A252 WeakPolarHBondContact O-CB 3.44Å; V248-A252 PolarHBondContact O-N 3.1Å
249L98.4Very high96.3Very high0 Ų027.6 Ų27.60%016%0.163CC..Hα-helixtrans-60.8-43177.6-67.5171.3000112.2M233 V245 I246 D247 A252 S253 L268 A272 L275M233-L249 HydrophobicContact CE-CD2 3.91Å; M233-L249 HydrophobicContact SD-CD2 3.94Å; V245-L249 HydrophobicContact CG1-CD1 3.95Å; V245-L249 HydrophobicContact CG1-CG 4.42Å; V245-L249 VanDerWaalsContact O-CG 3.26Å; V245-L249 WeakPolarHBondContact O-CG 3.5Å; V245-L249 PolarHBondContact O-N 2.89Å; I246-L249 PolarHBondContact O-N 3.37Å; D247-L249 PolarHBondContact O-N 3.31Å; L249-A252 PolarHBondContact O-N 3.08Å; L249-S253 WeakPolarHBondContact O-CB 3.43Å; L249-S253 PolarHBondContact O-N 2.67Å; L249-L268 HydrophobicContact CD2-CD2 3.59Å; L249-A272 HydrophobicContact CB-CB 4.03Å; L249-A272 HydrophobicContact CD1-CB 4.45Å; L249-L275 HydrophobicContact CD1-CD1 3.96Å
250R98.4Very high96.4Very high21 Ų2125.5 Ų25.58%0.07913%0.13CC..Hα-helixtrans-61.7-46.4176.8-71.9166.165.6-162.36.8112.2I246 D247 V248 S253 K254 I269 A272 D289 T290 D293I246-R250 HydrophobicContact CG2-CG 4.29Å; I246-R250 WeakPolarHBondContact O-CB 3.22Å; I246-R250 WeakPolarHBondContact O-CD 3.13Å; I246-R250 WeakPolarHBondContact O-CG 3.48Å; I246-R250 PolarHBondContact O-N 3.32Å; D247-R250 PolarHBondContact O-N 2.98Å; D247-R250 IonicContact OD1-CZ 3.5Å; D247-R250 IonicContact OD1-NH1 3.95Å; D247-R250 PolarHBondContact OD1-NH1 2.92Å; V248-R250 PolarHBondContact O-N 3.35Å; R250-S253 PolarHBondContact O-N 3.38Å; R250-K254 PolarHBondContact O-N 3.49Å; R250-I269 HydrophobicContact CG-CD1 4.3Å; R250-A272 HydrophobicContact CG-CB 4.02Å; R250-D289 IonicContact CZ-OD2 3.46Å; R250-D289 PolarHBondContact NE-O 3.47Å; R250-D289 IonicContact NH1-OD2 3.31Å; R250-D289 PolarHBondContact NH1-OD2 2.91Å; R250-D289 PolarHBondContact NH2-O 3.2Å; R250-D289 IonicContact NH2-OD2 2.79Å; R250-T290 HydrophobicContact CG-CG2 4.02Å; R250-D293 WeakPolarHBondContact CB-OD2 3.42Å; R250-D293 IonicContact CZ-OD2 2.9Å; R250-D293 IonicContact NE-OD2 3.37Å; R250-D293 PolarHBondContact NE-OD2 2.93Å; R250-D293 IonicContact NH2-OD2 2.91Å; R250-D293 PolarHBondContact NH2-OD2 3.07Å
251Q98.2Very high96.4Very high25 Ų2526.7 Ų26.712%0.11713%0.134CC..Hα-helixtrans-66.5-42.7178.9-62.8-57.2-22.100111.5C213 A214 D247 V248 S253 K254 A255C213-Q251 HydrophobicContact CB-CB 4.09Å; A214-Q251 HydrophobicContact CB-CG 4.47Å; D247-Q251 WeakPolarHBondContact O-CG 3.43Å; D247-Q251 PolarHBondContact O-N 3.29Å; V248-Q251 PolarHBondContact O-N 3.04Å; Q251-S253 VanDerWaalsContact C-N 3.34Å; Q251-S253 PolarHBondContact O-N 3.44Å; Q251-K254 PolarHBondContact O-N 3.19Å; Q251-K254 VanDerWaalsContact OE1-CE 3.24Å; Q251-A255 PolarHBondContact O-N 3.49Å
252A98.2Very high96.2Very high0 Ų024.4 Ų24.40%012%0.116CC..Hα-helixtrans-61.8-41.4175.300000111.8C229 M233 V248 L249 A255 C256 L268C229-A252 HydrophobicContact CB-CB 3.95Å; M233-A252 HydrophobicContact CG-CB 4.3Å; M233-A252 HydrophobicContact SD-CB 4.34Å; V248-A252 VanDerWaalsContact O-CB 3.31Å; V248-A252 WeakPolarHBondContact O-CB 3.44Å; V248-A252 PolarHBondContact O-N 3.1Å; L249-A252 PolarHBondContact O-N 3.08Å; A252-A255 PolarHBondContact O-N 3.07Å; A252-C256 PolarHBondContact O-N 2.98Å; A252-C256 PolarHBondContact O-SG 3.41Å; A252-L268 HydrophobicContact CB-CD1 3.82Å
253S98.3Very high96Very high1 Ų133 Ų331%0.00714%0.144CC..Hα-helixtrans-60-49.5174.9179.90000111.8L249 R250 Q251 A255 C256 V257 A265 I269L249-S253 WeakPolarHBondContact O-CB 3.43Å; L249-S253 PolarHBondContact O-N 2.67Å; R250-S253 PolarHBondContact O-N 3.38Å; Q251-S253 VanDerWaalsContact C-N 3.34Å; Q251-S253 PolarHBondContact O-N 3.44Å; S253-A255 VanDerWaalsContact C-N 3.32Å; S253-A255 PolarHBondContact O-N 2.81Å; S253-C256 WeakPolarHBondContact O-CA 3.39Å; S253-C256 VanDerWaalsContact O-CB 3.32Å; S253-C256 WeakPolarHBondContact O-CB 3.43Å; S253-C256 PolarHBondContact O-N 3.45Å; S253-V257 WeakPolarHBondContact O-CG2 3.48Å; S253-V257 PolarHBondContact O-N 3.36Å; S253-A265 PolarHBondContact OG-O 3.3Å; S253-I269 WeakPolarHBondContact OG-CB 3.41Å
254K97.8Very high95.9Very high28 Ų2830.1 Ų30.112%0.12213%0.132CC..Hα-helixtrans-57.5-44.1176.5-79.5-171.9-74.7-142.10112.8F217 R250 Q251 C256 V257 V258 D293 F296F217-K254 HydrophobicContact CD2-CB 4.32Å; F217-K254 HydrophobicContact CE1-CD 4.42Å; F217-K254 HydrophobicContact CE2-CB 3.83Å; F217-K254 HydrophobicContact CZ-CB 4.06Å; F217-K254 HydrophobicContact CZ-CD 4.43Å; R250-K254 PolarHBondContact O-N 3.49Å; Q251-K254 PolarHBondContact O-N 3.19Å; Q251-K254 VanDerWaalsContact OE1-CE 3.24Å; K254-C256 VanDerWaalsContact C-N 3.32Å; K254-C256 PolarHBondContact O-N 3.26Å; K254-V257 WeakPolarHBondContact O-CB 3.46Å; K254-V257 PolarHBondContact O-N 2.91Å; K254-V258 PolarHBondContact O-N 3.02Å; K254-D293 VanDerWaalsContact CD-OD1 3.28Å; K254-D293 WeakPolarHBondContact CD-OD1 3.49Å; K254-D293 WeakPolarHBondContact CE-OD1 3.5Å; K254-D293 IonicContact NZ-OD1 2.88Å; K254-D293 PolarHBondContact NZ-OD1 3.25Å; K254-D293 IonicContact NZ-OD2 2.82Å; K254-D293 PolarHBondContact NZ-OD2 3.26Å; K254-F296 HydrophobicContact CB-CE1 4.34Å; K254-F296 HydrophobicContact CG-CD1 3.93Å; K254-F296 HydrophobicContact CG-CE1 3.97Å
255A96.8Very high95.9Very high2 Ų228.8 Ų28.82%0.01712%0.124CC..Hα-helixtrans-61-42.4175.400000111.3Y226 Q251 A252 S253 V257 V258 K259Y226-A255 HydrophobicContact CD2-CB 4.01Å; Q251-A255 PolarHBondContact O-N 3.49Å; A252-A255 PolarHBondContact O-N 3.07Å; S253-A255 VanDerWaalsContact C-N 3.32Å; S253-A255 PolarHBondContact O-N 2.81Å; A255-V257 PolarHBondContact O-N 2.98Å; A255-V258 PolarHBondContact O-N 3.08Å; A255-K259 WeakPolarHBondContact O-CG 3.43Å; A255-K259 PolarHBondContact O-N 2.86Å
256C96.6Very high95.7Very high0 Ų031.1 Ų31.10%013%0.134CC..Hα-helixtrans-60.2-42.1174.8-67.30000112.5A252 S253 K254 V258 K259 R260 E261 K264 A265 F574A252-C256 PolarHBondContact O-N 2.98Å; A252-C256 PolarHBondContact O-SG 3.41Å; S253-C256 WeakPolarHBondContact O-CA 3.39Å; S253-C256 VanDerWaalsContact O-CB 3.32Å; S253-C256 WeakPolarHBondContact O-CB 3.43Å; S253-C256 PolarHBondContact O-N 3.45Å; K254-C256 VanDerWaalsContact C-N 3.32Å; K254-C256 PolarHBondContact O-N 3.26Å; C256-V258 PolarHBondContact O-N 3.15Å; C256-K259 CarbonylContact O-C 3.39Å; C256-K259 PolarHBondContact O-N 3.35Å; C256-R260 PolarHBondContact O-N 2.88Å; C256-E261 HydrophobicContact CB-CB 4.08Å; C256-E261 PolarHBondContact O-N 3.13Å; C256-K264 HydrophobicContact CB-CB 4.48Å; C256-A265 HydrophobicContact CB-CB 3.65Å; C256-F574 VanDerWaalsContact SG-CE2 3.59Å
257V95.9Very high95.5Very high0 Ų034.1 Ų34.10%015%0.148CC..Hα-helixtrans-57.2-48.4176.91710000111S253 K254 A255 K259 R260 F262 A265 F296 Y297 N300S253-V257 WeakPolarHBondContact O-CG2 3.48Å; S253-V257 PolarHBondContact O-N 3.36Å; K254-V257 WeakPolarHBondContact O-CB 3.46Å; K254-V257 PolarHBondContact O-N 2.91Å; A255-V257 PolarHBondContact O-N 2.98Å; V257-K259 VanDerWaalsContact C-N 3.3Å; V257-K259 PolarHBondContact O-N 3.49Å; V257-R260 PolarHBondContact O-N 3.45Å; V257-R260 PolarHBondContact O-NH1 3.41Å; V257-F262 HydrophobicContact CG1-CE1 4.29Å; V257-A265 HydrophobicContact CG2-CB 3.64Å; V257-F296 HydrophobicContact CB-CE1 3.76Å; V257-F296 HydrophobicContact CB-CZ 4.45Å; V257-F296 HydrophobicContact CG1-CD1 4.34Å; V257-F296 HydrophobicContact CG1-CE1 3.56Å; V257-F296 HydrophobicContact CG1-CZ 3.9Å; V257-F296 HydrophobicContact CG2-CD1 4.4Å; V257-F296 HydrophobicContact CG2-CE1 4.09Å; V257-Y297 HydrophobicContact CG2-CD2 3.98Å; V257-N300 HydrophobicContact CG1-CB 3.38Å; V257-N300 VanDerWaalsContact CG1-CG 3.4Å
258V92.3Very high95.5Very high22 Ų2232.7 Ų32.713%0.13314%0.14CC..Hα-helixtrans-68.4-32.3-179.5-178.50000111.6F217 Y222 K254 A255 C256 R260F217-V258 HydrophobicContact CE2-CB 4.47Å; F217-V258 HydrophobicContact CE2-CG2 3.52Å; F217-V258 HydrophobicContact CZ-CG2 3.79Å; Y222-V258 HydrophobicContact CD1-CB 4.35Å; Y222-V258 HydrophobicContact CD1-CG1 3.84Å; Y222-V258 HydrophobicContact CD1-CG2 4.31Å; Y222-V258 HydrophobicContact CD2-CG1 3.65Å; Y222-V258 HydrophobicContact CE1-CG1 4.22Å; Y222-V258 HydrophobicContact CE1-CG2 4.32Å; Y222-V258 HydrophobicContact CE2-CG1 4.05Å; Y222-V258 HydrophobicContact CG-CB 4.42Å; Y222-V258 HydrophobicContact CG-CG1 3.53Å; K254-V258 PolarHBondContact O-N 3.02Å; A255-V258 PolarHBondContact O-N 3.08Å; C256-V258 PolarHBondContact O-N 3.15Å; V258-R260 PolarHBondContact O-N 3.27Å
259K91.9Very high95.4Very high83 Ų8332.5 Ų32.536%0.36114%0.139SC..THydrogen-bonded Turntrans-79.53.4171.9-62.8-52.8-57.71760114.3D223 Y226 A255 C256 V257 E261D223-K259 WeakPolarHBondContact OD1-CE 3.33Å; D223-K259 IonicContact OD1-NZ 2.91Å; D223-K259 PolarHBondContact OD1-NZ 3.4Å; Y226-K259 HydrophobicContact CD2-CB 4.41Å; Y226-K259 HydrophobicContact CD2-CG 3.82Å; Y226-K259 HydrophobicContact CE2-CG 4.44Å; Y226-K259 HydrophobicContact CG-CG 3.9Å; A255-K259 WeakPolarHBondContact O-CG 3.43Å; A255-K259 PolarHBondContact O-N 2.86Å; C256-K259 CarbonylContact O-C 3.39Å; C256-K259 PolarHBondContact O-N 3.35Å; V257-K259 VanDerWaalsContact C-N 3.3Å; V257-K259 PolarHBondContact O-N 3.49Å; K259-E261 HydrophobicContact CB-CG 4.34Å; K259-E261 PolarHBondContact O-N 3.41Å
260R91.5Very high95.3Very high38 Ų3834 Ų3414%0.14315%0.146CC..THydrogen-bonded Turntrans60.424.1-178.4-46.3-61.2168.8-134.9-0.1114C256 V257 V258 F262 L505C256-R260 PolarHBondContact O-N 2.88Å; V257-R260 PolarHBondContact O-N 3.45Å; V257-R260 PolarHBondContact O-NH1 3.41Å; V258-R260 PolarHBondContact O-N 3.27Å; R260-F262 HydrophobicContact CB-CE2 4.06Å; R260-F262 HydrophobicContact CB-CZ 4.21Å; R260-F262 HydrophobicContact CG-CZ 4.46Å; R260-F262 PolarHBondContact O-N 3.46Å; R260-F262 VanDerWaalsContact O-N 3.13Å; R260-L505 HydrophobicContact CG-CD1 4.48Å; R260-L505 HydrophobicContact CG-CD2 4.28Å
261E92.8Very high95.2Very high57 Ų5733.8 Ų33.827%0.26615%0.146SC..  trans-87.458.2172.6-61.4-163150.200110.8Y226 C256 K259 R263 K264 A265Y226-E261 WeakPolarHBondContact CE2-OE2 3.38Å; Y226-E261 PolarHBondContact OH-OE1 3.24Å; Y226-E261 PolarHBondContact OH-OE2 3.17Å; C256-E261 HydrophobicContact CB-CB 4.08Å; C256-E261 PolarHBondContact O-N 3.13Å; K259-E261 HydrophobicContact CB-CG 4.34Å; K259-E261 PolarHBondContact O-N 3.41Å; E261-R263 VanDerWaalsContact C-N 3.32Å; E261-R263 PolarHBondContact O-N 3.33Å; E261-K264 HydrophobicContact CB-CB 4.35Å; E261-K264 HydrophobicContact CB-CG 4.47Å; E261-K264 PolarHBondContact O-N 3.03Å; E261-K264 IonicContact OE1-NZ 2.81Å; E261-K264 PolarHBondContact OE1-NZ 2.91Å; E261-K264 WeakPolarHBondContact OE2-CD 3.44Å; E261-K264 VanDerWaalsContact OE2-CE 3.3Å; E261-K264 WeakPolarHBondContact OE2-CE 3.49Å; E261-K264 IonicContact OE2-NZ 2.82Å; E261-K264 PolarHBondContact OE2-NZ 3.44Å; E261-A265 PolarHBondContact O-N 3.49Å
262F91.7Very high95.1Very high32 Ų3232.6 Ų32.614%0.1414%0.14CC..Hα-helixtrans-58.7-37-168.2-62.2-58.9000114.3V257 R260 K264 A265 E266 Y297 N300 V301 F506V257-F262 HydrophobicContact CG1-CE1 4.29Å; R260-F262 HydrophobicContact CB-CE2 4.06Å; R260-F262 HydrophobicContact CB-CZ 4.21Å; R260-F262 HydrophobicContact CG-CZ 4.46Å; R260-F262 PolarHBondContact O-N 3.46Å; R260-F262 VanDerWaalsContact O-N 3.13Å; F262-K264 PolarHBondContact O-N 2.96Å; F262-A265 WeakPolarHBondContact O-CB 3.47Å; F262-A265 PolarHBondContact O-N 2.93Å; F262-E266 WeakPolarHBondContact O-CB 3.48Å; F262-E266 PolarHBondContact O-N 3.32Å; F262-Y297 HydrophobicContact CB-CE2 4.5Å; F262-Y297 WeakPolarHBondContact O-CE2 3.14Å; F262-N300 HydrophobicContact CE1-CB 4.28Å; F262-V301 HydrophobicContact CB-CG1 3.91Å; F262-V301 HydrophobicContact CD1-CG1 3.46Å; F262-V301 VanDerWaalsContact CD1-CG1 3.46Å; F262-V301 HydrophobicContact CE1-CG1 4.1Å; F262-V301 HydrophobicContact CG-CG1 3.72Å; F262-F506 AromaticContact CE2-CD1 3.83Å; F262-F506 HydrophobicContact CE2-CD1 3.83Å; F262-F506 AromaticContact CE2-CE1 3.78Å; F262-F506 HydrophobicContact CE2-CE1 3.78Å; F262-F506 AromaticContact CZ-CD1 3.95Å; F262-F506 HydrophobicContact CZ-CD1 3.95Å; F262-F506 AromaticContact CZ-CE1 3.43Å; F262-F506 HydrophobicContact CZ-CE1 3.43Å; F262-F506 VanDerWaalsContact CZ-CE1 3.43Å; F262-F506 HydrophobicContact CZ-CZ 4.26Å
263R92.1Very high95.1Very high219 Ų21932.6 Ų32.683%0.82614%0.14SC*.Hα-helixtrans-63.3-40.1176.9-67-176.7-177.6170.31.2112.5E261 Q267E261-R263 VanDerWaalsContact C-N 3.32Å; E261-R263 PolarHBondContact O-N 3.33Å; R263-Q267 PolarHBondContact O-N 3.35Å
264K94Very high94.9Very high31 Ų3134.3 Ų34.314%0.13515%0.147CC..Hα-helixtrans-69.8-43.9175.8-61.4-167-155.5158.40110.2Y226 C256 E261 F262 E266 Q267 L268 F574 A577Y226-K264 PolarHBondContact OH-NZ 3.16Å; C256-K264 HydrophobicContact CB-CB 4.48Å; E261-K264 HydrophobicContact CB-CB 4.35Å; E261-K264 HydrophobicContact CB-CG 4.47Å; E261-K264 PolarHBondContact O-N 3.03Å; E261-K264 IonicContact OE1-NZ 2.81Å; E261-K264 PolarHBondContact OE1-NZ 2.91Å; E261-K264 WeakPolarHBondContact OE2-CD 3.44Å; E261-K264 VanDerWaalsContact OE2-CE 3.3Å; E261-K264 WeakPolarHBondContact OE2-CE 3.49Å; E261-K264 IonicContact OE2-NZ 2.82Å; E261-K264 PolarHBondContact OE2-NZ 3.44Å; F262-K264 PolarHBondContact O-N 2.96Å; K264-E266 VanDerWaalsContact C-N 3.29Å; K264-E266 PolarHBondContact O-N 3.14Å; K264-Q267 PolarHBondContact O-N 2.9Å; K264-L268 VanDerWaalsContact O-CG 3.22Å; K264-L268 WeakPolarHBondContact O-CG 3.45Å; K264-L268 PolarHBondContact O-N 3.41Å; K264-L268 VanDerWaalsContact O-N 3.11Å; K264-F574 HydrophobicContact CB-CD2 4.25Å; K264-F574 HydrophobicContact CD-CD2 3.87Å; K264-F574 HydrophobicContact CD-CE2 4.05Å; K264-A577 HydrophobicContact CD-CB 4.47Å
265A96.5Very high94.8Very high0 Ų033.5 Ų33.50%015%0.145CC..Hα-helixtrans-55.5-46.1177.300000111.9S253 C256 V257 E261 F262 L268 I269 Y297S253-A265 PolarHBondContact OG-O 3.3Å; C256-A265 HydrophobicContact CB-CB 3.65Å; V257-A265 HydrophobicContact CG2-CB 3.64Å; E261-A265 PolarHBondContact O-N 3.49Å; F262-A265 WeakPolarHBondContact O-CB 3.47Å; F262-A265 PolarHBondContact O-N 2.93Å; A265-L268 PolarHBondContact O-N 3.08Å; A265-I269 VanDerWaalsContact O-CG2 3.29Å; A265-I269 WeakPolarHBondContact O-CG2 3.22Å; A265-I269 PolarHBondContact O-N 2.94Å; A265-Y297 HydrophobicContact CB-CD2 3.83Å; A265-Y297 HydrophobicContact CB-CE2 4.1Å
266E94.3Very high94.8Very high61 Ų6133.4 Ų33.429%0.28514%0.144SC..Hα-helixtrans-59.7-52.9179.3-168.6-179.8175.400112.1F262 K264 L268 I269 K270 Y297F262-E266 WeakPolarHBondContact O-CB 3.48Å; F262-E266 PolarHBondContact O-N 3.32Å; K264-E266 VanDerWaalsContact C-N 3.29Å; K264-E266 PolarHBondContact O-N 3.14Å; E266-L268 VanDerWaalsContact C-N 3.28Å; E266-L268 PolarHBondContact O-N 3.27Å; E266-I269 WeakPolarHBondContact O-CG2 3.24Å; E266-I269 PolarHBondContact O-N 3.3Å; E266-K270 HydrophobicContact CG-CD 3.99Å; E266-K270 HydrophobicContact CG-CG 4.35Å; E266-K270 WeakPolarHBondContact O-CB 3.31Å; E266-K270 WeakPolarHBondContact O-CG 3.5Å; E266-K270 PolarHBondContact O-N 3.47Å; E266-K270 WeakPolarHBondContact OE1-CE 3.49Å; E266-K270 IonicContact OE1-NZ 2.74Å; E266-K270 PolarHBondContact OE1-NZ 2.59Å; E266-Y297 HydrophobicContact CB-CE1 4.26Å; E266-Y297 HydrophobicContact CB-CE2 3.76Å; E266-Y297 VanDerWaalsContact CB-OH 3.3Å; E266-Y297 WeakPolarHBondContact CB-OH 3.41Å; E266-Y297 VanDerWaalsContact CD-OH 3.27Å; E266-Y297 HydrophobicContact CG-CE1 4.01Å; E266-Y297 HydrophobicContact CG-CE2 4.39Å; E266-Y297 VanDerWaalsContact CG-OH 3.28Å; E266-Y297 WeakPolarHBondContact CG-OH 3.46Å; E266-Y297 PolarHBondContact OE2-OH 3.39Å
267Q93.9Very high94.7Very high62 Ų6234.5 Ų34.529%0.2915%0.148SC..Hα-helixtrans-58.1-43.9-179.3-169.5-175.88.100111R263 K264 H271 Q565 V570R263-Q267 PolarHBondContact O-N 3.35Å; K264-Q267 PolarHBondContact O-N 2.9Å; Q267-H271 WeakPolarHBondContact O-CB 3.4Å; Q267-H271 PolarHBondContact O-N 3.38Å; Q267-H271 VanDerWaalsContact O-N 3.15Å; Q267-Q565 VanDerWaalsContact NE2-OE1 3.08Å; Q267-V570 HydrophobicContact CG-CG1 4.18Å
268L96.9Very high94.6Very high1 Ų139.9 Ų39.91%0.00517%0.173CC..Hα-helixtrans-66.7-45.4-179.5-65.9173.1000112.4M233 L249 A252 K264 A265 E266 H271 A272 V570 F574M233-L268 HydrophobicContact CE-CD2 3.62Å; L249-L268 HydrophobicContact CD2-CD2 3.59Å; A252-L268 HydrophobicContact CB-CD1 3.82Å; K264-L268 VanDerWaalsContact O-CG 3.22Å; K264-L268 WeakPolarHBondContact O-CG 3.45Å; K264-L268 PolarHBondContact O-N 3.41Å; K264-L268 VanDerWaalsContact O-N 3.11Å; A265-L268 PolarHBondContact O-N 3.08Å; E266-L268 VanDerWaalsContact C-N 3.28Å; E266-L268 PolarHBondContact O-N 3.27Å; L268-H271 PolarHBondContact O-N 3.37Å; L268-A272 WeakPolarHBondContact O-CB 3.38Å; L268-A272 PolarHBondContact O-N 3.18Å; L268-V570 HydrophobicContact CD2-CG1 4.03Å; L268-F574 HydrophobicContact CD1-CD2 3.79Å; L268-F574 HydrophobicContact CD1-CE2 3.97Å; L268-F574 HydrophobicContact CD1-CG 4.47Å; L268-F574 HydrophobicContact CD2-CB 4.39Å; L268-F574 HydrophobicContact CD2-CD2 4.49Å; L268-F574 HydrophobicContact CD2-CG 4.46Å; L268-F574 HydrophobicContact CG-CD2 4.47Å
269I97.4Very high94.6Very high0 Ų044.3 Ų44.30%019%0.192CC..Hα-helixtrans-73.7-39.6-176-166.655.4000112.2R250 S253 A265 E266 H271 A272 V273 D293 Y294 Y297R250-I269 HydrophobicContact CG-CD1 4.3Å; S253-I269 WeakPolarHBondContact OG-CB 3.41Å; A265-I269 VanDerWaalsContact O-CG2 3.29Å; A265-I269 WeakPolarHBondContact O-CG2 3.22Å; A265-I269 PolarHBondContact O-N 2.94Å; E266-I269 WeakPolarHBondContact O-CG2 3.24Å; E266-I269 PolarHBondContact O-N 3.3Å; I269-H271 VanDerWaalsContact C-N 3.3Å; I269-H271 PolarHBondContact O-N 2.91Å; I269-A272 HydrophobicContact CD1-CB 4.42Å; I269-A272 PolarHBondContact O-N 3.12Å; I269-V273 HydrophobicContact CG1-CG2 4.49Å; I269-V273 VanDerWaalsContact O-CG2 3.31Å; I269-V273 WeakPolarHBondContact O-CG2 3.39Å; I269-V273 PolarHBondContact O-N 3.21Å; I269-D293 HydrophobicContact CD1-CB 3.66Å; I269-Y294 HydrophobicContact CG1-CD2 4.14Å; I269-Y294 HydrophobicContact CG1-CG 4.31Å; I269-Y294 HydrophobicContact CG2-CD2 3.73Å; I269-Y294 HydrophobicContact CG2-CE2 4.28Å; I269-Y297 HydrophobicContact CG2-CD1 4.24Å; I269-Y297 HydrophobicContact CG2-CG 4.09Å
270K95.4Very high94.7Very high32 Ų3243.4 Ų43.414%0.13919%0.188CC..Hα-helixtrans-60.3-42.9174-70.6-172.1168.2171.40110.9E266 A272 V273 F274 Y294 D559 V560E266-K270 HydrophobicContact CG-CD 3.99Å; E266-K270 HydrophobicContact CG-CG 4.35Å; E266-K270 WeakPolarHBondContact O-CB 3.31Å; E266-K270 WeakPolarHBondContact O-CG 3.5Å; E266-K270 PolarHBondContact O-N 3.47Å; E266-K270 WeakPolarHBondContact OE1-CE 3.49Å; E266-K270 IonicContact OE1-NZ 2.74Å; E266-K270 PolarHBondContact OE1-NZ 2.59Å; K270-A272 PolarHBondContact O-N 2.94Å; K270-V273 PolarHBondContact O-N 2.69Å; K270-F274 WeakPolarHBondContact O-CB 3.18Å; K270-F274 PolarHBondContact O-N 3.35Å; K270-Y294 HydrophobicContact CG-CE2 4.41Å; K270-D559 VanDerWaalsContact CE-OD2 3.28Å; K270-D559 WeakPolarHBondContact CE-OD2 3.24Å; K270-D559 IonicContact NZ-OD1 2.98Å; K270-D559 PolarHBondContact NZ-OD1 3.16Å; K270-D559 VanDerWaalsContact NZ-OD1 3.15Å; K270-D559 IonicContact NZ-OD2 3.92Å; K270-D559 PolarHBondContact NZ-OD2 2.93Å; K270-V560 HydrophobicContact CB-CG1 4.38Å; K270-V560 HydrophobicContact CB-CG2 4.38Å; K270-V560 HydrophobicContact CD-CG2 4.44Å; K270-V560 HydrophobicContact CG-CG2 3.98Å; K270-V560 WeakPolarHBondContact O-CG1 3.44Å
271H95.7Very high94.8Very high15 Ų1542.9 Ų42.97%0.06920%0.195CC..Hα-helixtrans-64.3-39.7175.6-165.161000112.6Q267 L268 I269 F274 L275 Q565 T567 V570Q267-H271 WeakPolarHBondContact O-CB 3.4Å; Q267-H271 PolarHBondContact O-N 3.38Å; Q267-H271 VanDerWaalsContact O-N 3.15Å; L268-H271 PolarHBondContact O-N 3.37Å; I269-H271 VanDerWaalsContact C-N 3.3Å; I269-H271 PolarHBondContact O-N 2.91Å; H271-F274 PolarHBondContact O-N 2.88Å; H271-L275 WeakPolarHBondContact O-CG 3.22Å; H271-L275 PolarHBondContact O-N 3.06Å; H271-Q565 PolarHBondContact CE1-O 3.29Å; H271-Q565 VanDerWaalsContact CE1-O 3.28Å; H271-T567 WeakPolarHBondContact NE2-CA 3.31Å; H271-T567 PolarHBondContact NE2-OG1 2.78Å; H271-V570 HydrophobicContact CB-CG1 4.31Å; H271-V570 HydrophobicContact CB-CG2 4.4Å
272A97.3Very high94.8Very high0 Ų045.6 Ų45.60%021%0.207CC..Hα-helixtrans-64-43.9175.800000112.5I246 L249 R250 L268 I269 K270 L275 A276 T290I246-A272 HydrophobicContact CG2-CB 4.43Å; L249-A272 HydrophobicContact CB-CB 4.03Å; L249-A272 HydrophobicContact CD1-CB 4.45Å; R250-A272 HydrophobicContact CG-CB 4.02Å; L268-A272 WeakPolarHBondContact O-CB 3.38Å; L268-A272 PolarHBondContact O-N 3.18Å; I269-A272 HydrophobicContact CD1-CB 4.42Å; I269-A272 PolarHBondContact O-N 3.12Å; K270-A272 PolarHBondContact O-N 2.94Å; A272-L275 PolarHBondContact O-N 2.97Å; A272-A276 WeakPolarHBondContact O-CB 3.49Å; A272-A276 PolarHBondContact O-N 3.45Å; A272-T290 HydrophobicContact CB-CG2 4.06Å
273V96.9Very high94.8Very high0 Ų052.2 Ų52.20%024%0.236CC..Hα-helixtrans-60.7-45.7175.5171.80000110.6I269 K270 A276 R277 Y287 L291 Y294 V560I269-V273 HydrophobicContact CG1-CG2 4.49Å; I269-V273 VanDerWaalsContact O-CG2 3.31Å; I269-V273 WeakPolarHBondContact O-CG2 3.39Å; I269-V273 PolarHBondContact O-N 3.21Å; K270-V273 PolarHBondContact O-N 2.69Å; V273-A276 PolarHBondContact O-N 2.57Å; V273-R277 WeakPolarHBondContact O-CB 3.45Å; V273-R277 PolarHBondContact O-N 2.85Å; V273-Y287 HydrophobicContact CG1-CE2 3.73Å; V273-L291 HydrophobicContact CG1-CD2 4.21Å; V273-Y294 HydrophobicContact CG2-CD1 4.44Å; V273-Y294 HydrophobicContact CG2-CG 4.38Å; V273-V560 HydrophobicContact CB-CG1 3.97Å; V273-V560 HydrophobicContact CG1-CB 4.45Å; V273-V560 HydrophobicContact CG1-CG1 3.76Å
274F94.9Very high94.8Very high37 Ų3745 Ų4516%0.16221%0.212CC..Hα-helixtrans-55.7-55.7174.1171.4-93.9000111.4K270 H271 A276 R277 E278 V560 P564K270-F274 WeakPolarHBondContact O-CB 3.18Å; K270-F274 PolarHBondContact O-N 3.35Å; H271-F274 PolarHBondContact O-N 2.88Å; F274-A276 VanDerWaalsContact C-N 3.3Å; F274-A276 PolarHBondContact O-N 3.41Å; F274-R277 WeakPolarHBondContact O-CB 3.31Å; F274-R277 PolarHBondContact O-N 2.86Å; F274-E278 HydrophobicContact CD1-CG 4.37Å; F274-E278 HydrophobicContact CD2-CG 4.13Å; F274-E278 HydrophobicContact CE1-CG 3.92Å; F274-E278 HydrophobicContact CE2-CG 3.64Å; F274-E278 HydrophobicContact CG-CG 4.45Å; F274-E278 HydrophobicContact CZ-CG 3.5Å; F274-E278 VanDerWaalsContact CZ-CG 3.5Å; F274-E278 WeakPolarHBondContact O-CG 3.32Å; F274-E278 PolarHBondContact O-N 3.46Å; F274-V560 HydrophobicContact CB-CG1 4.4Å; F274-P564 HydrophobicContact CE1-CB 3.9Å; F274-P564 HydrophobicContact CE2-CB 4.04Å; F274-P564 HydrophobicContact CZ-CB 3.53Å; F274-P564 HydrophobicContact CZ-CG 4.18Å
275L95.2Very high94.8Very high12 Ų1244.7 Ų44.76%0.06321%0.213CC..Hα-helixtrans-59-40.8-179.7-73178.4000112.3V242 V245 I246 L249 H271 A272 H279V242-L275 HydrophobicContact CG2-CB 4.43Å; V245-L275 HydrophobicContact CG1-CD1 4.06Å; I246-L275 HydrophobicContact CD1-CB 3.95Å; I246-L275 HydrophobicContact CG1-CB 3.72Å; I246-L275 HydrophobicContact CG1-CD1 4.24Å; L249-L275 HydrophobicContact CD1-CD1 3.96Å; H271-L275 WeakPolarHBondContact O-CG 3.22Å; H271-L275 PolarHBondContact O-N 3.06Å; A272-L275 PolarHBondContact O-N 2.97Å; L275-H279 WeakPolarHBondContact O-CB 3.3Å; L275-H279 PolarHBondContact O-CD2 2.95Å; L275-H279 VanDerWaalsContact O-CD2 3.31Å; L275-H279 PolarHBondContact O-N 3.19Å; L275-H279 VanDerWaalsContact O-N 3.11Å
276A96.5Very high94.8Very high0 Ų045.1 Ų45.10%021%0.214CC..Hα-helixtrans-66-40.7179.400000111.9I246 A272 V273 F274 F280 Y287 T290I246-A276 HydrophobicContact CD1-CB 4.04Å; A272-A276 WeakPolarHBondContact O-CB 3.49Å; A272-A276 PolarHBondContact O-N 3.45Å; V273-A276 PolarHBondContact O-N 2.57Å; F274-A276 VanDerWaalsContact C-N 3.3Å; F274-A276 PolarHBondContact O-N 3.41Å; A276-F280 WeakPolarHBondContact O-CB 3.33Å; A276-F280 WeakPolarHBondContact O-CD2 3.35Å; A276-F280 PolarHBondContact O-N 3.47Å; A276-F280 VanDerWaalsContact O-N 3.07Å; A276-Y287 HydrophobicContact CB-CD2 4.23Å; A276-T290 HydrophobicContact CB-CG2 3.74Å
277R94.8Very high94.9Very high23 Ų2342.6 Ų42.69%0.08720%0.203CC..Hα-helixtrans-61.7-54.2174.3176.7-177.564-14710.4111.5V273 F274 H279 G281 H282 Y287 V560 N561V273-R277 WeakPolarHBondContact O-CB 3.45Å; V273-R277 PolarHBondContact O-N 2.85Å; F274-R277 WeakPolarHBondContact O-CB 3.31Å; F274-R277 PolarHBondContact O-N 2.86Å; R277-H279 VanDerWaalsContact C-N 3.34Å; R277-H279 PolarHBondContact O-N 2.93Å; R277-G281 WeakPolarHBondContact O-CA 3.4Å; R277-G281 PolarHBondContact O-N 2.86Å; R277-H282 WeakPolarHBondContact CD-CE1 3.46Å; R277-H282 VanDerWaalsContact CG-CE1 3.48Å; R277-H282 WeakPolarHBondContact CG-CE1 3.45Å; R277-Y287 HydrophobicContact CB-CD2 3.92Å; R277-Y287 HydrophobicContact CB-CE2 3.75Å; R277-V560 PolarHBondContact NH2-O 2.86Å; R277-N561 PolarHBondContact NH1-OD1 2.91Å
278E93.6Very high95.1Very high112 Ų11239.7 Ų39.752%0.52319%0.189SC..Hα-helixtrans-64.6-38.6-172.3-65.9-52.4119.200112.3F274F274-E278 HydrophobicContact CD1-CG 4.37Å; F274-E278 HydrophobicContact CD2-CG 4.13Å; F274-E278 HydrophobicContact CE1-CG 3.92Å; F274-E278 HydrophobicContact CE2-CG 3.64Å; F274-E278 HydrophobicContact CG-CG 4.45Å; F274-E278 HydrophobicContact CZ-CG 3.5Å; F274-E278 VanDerWaalsContact CZ-CG 3.5Å; F274-E278 WeakPolarHBondContact O-CG 3.32Å; F274-E278 PolarHBondContact O-N 3.46Å
279H94.1Very high95.1Very high115 Ų11541.3 Ų41.353%0.53220%0.198SC..Hα-helixtrans-89.7-26.5-174.9-75-85.2000114.6V242 L275 R277V242-H279 HydrophobicContact CG1-CB 4.09Å; L275-H279 WeakPolarHBondContact O-CB 3.3Å; L275-H279 PolarHBondContact O-CD2 2.95Å; L275-H279 VanDerWaalsContact O-CD2 3.31Å; L275-H279 PolarHBondContact O-N 3.19Å; L275-H279 VanDerWaalsContact O-N 3.11Å; R277-H279 VanDerWaalsContact C-N 3.34Å; R277-H279 PolarHBondContact O-N 2.93Å
280F93.4Very high95.2Very high64 Ų6441.3 Ų41.328%0.28120%0.198SC..Hα-helixtrans-121.1-20.1-174.1-57.2-88.3000113.9V242 K243 I246 A276 H284 K286V242-F280 HydrophobicContact CG1-CE2 3.96Å; V242-F280 HydrophobicContact CG1-CZ 3.94Å; K243-F280 HydrophobicContact CB-CZ 4.25Å; I246-F280 HydrophobicContact CD1-CD2 4.31Å; I246-F280 HydrophobicContact CD1-CE2 3.7Å; A276-F280 WeakPolarHBondContact O-CB 3.33Å; A276-F280 WeakPolarHBondContact O-CD2 3.35Å; A276-F280 PolarHBondContact O-N 3.47Å; A276-F280 VanDerWaalsContact O-N 3.07Å; F280-H284 HydrophobicContact CB-CB 3.66Å; F280-H284 AromaticContact CD1-CE1 3.6Å; F280-H284 AromaticContact CD1-ND1 3.81Å; F280-H284 AromaticContact CD1-NE2 3.9Å; F280-H284 AromaticContact CG-ND1 3.88Å; F280-H284 WeakPolarHBondContact O-CB 3.49Å; F280-K286 HydrophobicContact CD1-CB 4.44Å; F280-K286 HydrophobicContact CD2-CB 4.17Å; F280-K286 HydrophobicContact CD2-CG 3.98Å; F280-K286 HydrophobicContact CE2-CB 4.49Å; F280-K286 HydrophobicContact CE2-CG 3.91Å; F280-K286 HydrophobicContact CG-CB 4.14Å; F280-K286 HydrophobicContact CG-CG 4.43Å; F280-K286 HydrophobicContact CZ-CG 4.3Å
281G92.9Very high95.3Very high28 Ų2839.8 Ų39.829%0.28919%0.191SC..  trans84.9163.8-177.800000114.4R277 K283 H284R277-G281 WeakPolarHBondContact O-CA 3.4Å; R277-G281 PolarHBondContact O-N 2.86Å; G281-K283 VanDerWaalsContact C-N 3.25Å; G281-K283 PolarHBondContact O-N 3.28Å; G281-H284 WeakPolarHBondContact O-CB 3.42Å; G281-H284 PolarHBondContact O-N 3.12Å
282H92.8Very high95.4Very high113 Ų11339.6 Ų39.652%0.52319%0.19SC..THydrogen-bonded Turntrans-66.9-17.2-171.1-61.2-87.9000115.7R277 Y287 I317R277-H282 WeakPolarHBondContact CD-CE1 3.46Å; R277-H282 VanDerWaalsContact CG-CE1 3.48Å; R277-H282 WeakPolarHBondContact CG-CE1 3.45Å; H282-Y287 HydrophobicContact CB-CD1 4.47Å; H282-Y287 HydrophobicContact CB-CE1 4.34Å; H282-Y287 VanDerWaalsContact O-CD1 3.3Å; H282-Y287 WeakPolarHBondContact O-CD1 3.26Å; H282-I317 WeakPolarHBondContact O-CD1 3.41Å
283K91.5Very high95.5Very high171 Ų17140.3 Ų40.374%0.74319%0.194SC*.THydrogen-bonded Turntrans-100.71.7-179-63.9-171.7176.8-175.90113G281G281-K283 VanDerWaalsContact C-N 3.25Å; G281-K283 PolarHBondContact O-N 3.28Å
284H92.9Very high95.6Very high69 Ų6940.4 Ų40.432%0.31920%0.195SC..SBendtrans-85.4141-174.5-169.1-89.4000111.5F280 G281 K286 Y287 S288F280-H284 HydrophobicContact CB-CB 3.66Å; F280-H284 AromaticContact CD1-CE1 3.6Å; F280-H284 AromaticContact CD1-ND1 3.81Å; F280-H284 AromaticContact CD1-NE2 3.9Å; F280-H284 AromaticContact CG-ND1 3.88Å; F280-H284 WeakPolarHBondContact O-CB 3.49Å; G281-H284 WeakPolarHBondContact O-CB 3.42Å; G281-H284 PolarHBondContact O-N 3.12Å; H284-K286 WeakPolarHBondContact ND1-CB 3.35Å; H284-K286 PolarHBondContact ND1-N 3.11Å; H284-K286 PolarHBondContact O-N 2.84Å; H284-K286 VanDerWaalsContact O-N 3.1Å; H284-Y287 WeakPolarHBondContact O-CB 3.5Å; H284-Y287 PolarHBondContact O-N 3.18Å; H284-S288 PolarHBondContact O-N 2.88Å
285P94.1Very high95.7Very high24 Ų2438.7 Ų38.716%0.15619%0.187CC..Hα-helixtrans-54-33.3177.6-30.337.3000114.1Y287 S288 D289 V321 F322P285-Y287 VanDerWaalsContact C-N 3.28Å; P285-Y287 PolarHBondContact O-N 3.4Å; P285-S288 WeakPolarHBondContact O-CB 3.29Å; P285-S288 PolarHBondContact O-N 3.42Å; P285-D289 WeakPolarHBondContact O-CB 3.16Å; P285-D289 PolarHBondContact O-N 3.31Å; P285-V321 HydrophobicContact CG-CB 4.26Å; P285-V321 HydrophobicContact CG-CG1 3.78Å; P285-V321 HydrophobicContact CG-CG2 4.17Å; P285-F322 HydrophobicContact CB-CE2 3.94Å; P285-F322 HydrophobicContact CB-CZ 3.86Å; P285-F322 HydrophobicContact CG-CE2 3.89Å; P285-F322 HydrophobicContact CG-CZ 3.63Å
286K95.5Very high95.8Very high8 Ų840.3 Ų40.34%0.03519%0.194CC..Hα-helixtrans-62.3-31.9176.1-166.156.5162.8-163.80113.9I246 D247 F280 H284 D289 T290I246-K286 HydrophobicContact CG2-CD 4.47Å; D247-K286 IonicContact OD1-NZ 3.99Å; D247-K286 PolarHBondContact OD1-NZ 3.07Å; D247-K286 IonicContact OD2-NZ 3.78Å; D247-K286 PolarHBondContact OD2-NZ 3.05Å; F280-K286 HydrophobicContact CD1-CB 4.44Å; F280-K286 HydrophobicContact CD2-CB 4.17Å; F280-K286 HydrophobicContact CD2-CG 3.98Å; F280-K286 HydrophobicContact CE2-CB 4.49Å; F280-K286 HydrophobicContact CE2-CG 3.91Å; F280-K286 HydrophobicContact CG-CB 4.14Å; F280-K286 HydrophobicContact CG-CG 4.43Å; F280-K286 HydrophobicContact CZ-CG 4.3Å; H284-K286 WeakPolarHBondContact ND1-CB 3.35Å; H284-K286 PolarHBondContact ND1-N 3.11Å; H284-K286 PolarHBondContact O-N 2.84Å; H284-K286 VanDerWaalsContact O-N 3.1Å; K286-D289 WeakPolarHBondContact O-CB 3.32Å; K286-T290 PolarHBondContact O-N 3.16Å
287Y97.1Very high95.9Very high9 Ų941 Ų414%0.03520%0.196CC..Hα-helixtrans-73.1-44.5173.4-179.9-115.3000110.4V273 A276 R277 H282 H284 P285 D289 T290 L291 I317V273-Y287 HydrophobicContact CG1-CE2 3.73Å; A276-Y287 HydrophobicContact CB-CD2 4.23Å; R277-Y287 HydrophobicContact CB-CD2 3.92Å; R277-Y287 HydrophobicContact CB-CE2 3.75Å; H282-Y287 HydrophobicContact CB-CD1 4.47Å; H282-Y287 HydrophobicContact CB-CE1 4.34Å; H282-Y287 VanDerWaalsContact O-CD1 3.3Å; H282-Y287 WeakPolarHBondContact O-CD1 3.26Å; H284-Y287 WeakPolarHBondContact O-CB 3.5Å; H284-Y287 PolarHBondContact O-N 3.18Å; P285-Y287 VanDerWaalsContact C-N 3.28Å; P285-Y287 PolarHBondContact O-N 3.4Å; Y287-D289 VanDerWaalsContact C-N 3.28Å; Y287-D289 PolarHBondContact O-N 2.87Å; Y287-T290 PolarHBondContact O-N 3.5Å; Y287-T290 VanDerWaalsContact O-N 3.08Å; Y287-T290 PolarHBondContact O-OG1 3.44Å; Y287-L291 HydrophobicContact CD1-CD1 3.98Å; Y287-L291 HydrophobicContact CD1-CG 4.41Å; Y287-L291 HydrophobicContact CE1-CD1 3.62Å; Y287-L291 HydrophobicContact CE1-CD2 4.4Å; Y287-L291 HydrophobicContact CE1-CG 4.14Å; Y287-L291 HydrophobicContact CE2-CD2 4.33Å; Y287-L291 HydrophobicContact CE2-CG 4.49Å; Y287-L291 WeakPolarHBondContact O-CG 3.41Å; Y287-L291 PolarHBondContact O-N 3.4Å; Y287-I317 HydrophobicContact CD1-CD1 3.75Å; Y287-I317 HydrophobicContact CE1-CD1 4.14Å
288S97.6Very high95.9Very high0 Ų040.1 Ų40.10%019%0.193CC..Hα-helixtrans-55.8-42172.5172.40000112.6H284 P285 T290 L291 L292 A314 R318H284-S288 PolarHBondContact O-N 2.88Å; P285-S288 WeakPolarHBondContact O-CB 3.29Å; P285-S288 PolarHBondContact O-N 3.42Å; S288-T290 VanDerWaalsContact C-N 3.33Å; S288-T290 PolarHBondContact O-N 3.42Å; S288-L291 WeakPolarHBondContact O-CB 3.38Å; S288-L291 PolarHBondContact O-N 3.27Å; S288-L292 PolarHBondContact O-N 3.3Å; S288-A314 PolarHBondContact OG-O 3.41Å; S288-R318 WeakPolarHBondContact OG-CD 3.45Å; S288-R318 WeakPolarHBondContact OG-CG 3.34Å; S288-R318 PolarHBondContact OG-NE 3.46Å
289D97.7Very high95.9Very high36 Ų3636 Ų3619%0.19318%0.175CC..Hα-helixtrans-53.7-44.6173.4-94.311.4000113.6R250 P285 K286 Y287 D293 R318R250-D289 IonicContact CZ-OD2 3.46Å; R250-D289 PolarHBondContact NE-O 3.47Å; R250-D289 IonicContact NH1-OD2 3.31Å; R250-D289 PolarHBondContact NH1-OD2 2.91Å; R250-D289 PolarHBondContact NH2-O 3.2Å; R250-D289 IonicContact NH2-OD2 2.79Å; P285-D289 WeakPolarHBondContact O-CB 3.16Å; P285-D289 PolarHBondContact O-N 3.31Å; K286-D289 WeakPolarHBondContact O-CB 3.32Å; Y287-D289 VanDerWaalsContact C-N 3.28Å; Y287-D289 PolarHBondContact O-N 2.87Å; D289-D293 PolarHBondContact O-N 3.32Å; D289-R318 IonicContact OD1-CZ 3.83Å; D289-R318 IonicContact OD1-NH2 2.68Å; D289-R318 PolarHBondContact OD1-NH2 2.89Å
290T98.4Very high95.9Very high0 Ų032.2 Ų32.20%016%0.158CC..Hα-helixtrans-71.2-33.9175.352.50000112.4I246 R250 A272 A276 K286 Y287 S288 D293 Y294I246-T290 HydrophobicContact CG2-CG2 3.57Å; R250-T290 HydrophobicContact CG-CG2 4.02Å; A272-T290 HydrophobicContact CB-CG2 4.06Å; A276-T290 HydrophobicContact CB-CG2 3.74Å; K286-T290 PolarHBondContact O-N 3.16Å; Y287-T290 PolarHBondContact O-N 3.5Å; Y287-T290 VanDerWaalsContact O-N 3.08Å; Y287-T290 PolarHBondContact O-OG1 3.44Å; S288-T290 VanDerWaalsContact C-N 3.33Å; S288-T290 PolarHBondContact O-N 3.42Å; T290-D293 PolarHBondContact O-N 2.85Å; T290-Y294 WeakPolarHBondContact O-CB 3.43Å; T290-Y294 PolarHBondContact O-N 3.22Å
291L98.5Very high95.7Very high0 Ų030.8 Ų30.80%016%0.155CC..Hα-helixtrans-66.5-39.2176.3-68.2-178.5000111.8V273 Y287 S288 D293 Y294 G295 I310 T313 A314 I317 L557V273-L291 HydrophobicContact CG1-CD2 4.21Å; Y287-L291 HydrophobicContact CD1-CD1 3.98Å; Y287-L291 HydrophobicContact CD1-CG 4.41Å; Y287-L291 HydrophobicContact CE1-CD1 3.62Å; Y287-L291 HydrophobicContact CE1-CD2 4.4Å; Y287-L291 HydrophobicContact CE1-CG 4.14Å; Y287-L291 HydrophobicContact CE2-CD2 4.33Å; Y287-L291 HydrophobicContact CE2-CG 4.49Å; Y287-L291 WeakPolarHBondContact O-CG 3.41Å; Y287-L291 PolarHBondContact O-N 3.4Å; S288-L291 WeakPolarHBondContact O-CB 3.38Å; S288-L291 PolarHBondContact O-N 3.27Å; L291-D293 VanDerWaalsContact C-N 3.35Å; L291-D293 PolarHBondContact O-N 3.33Å; L291-Y294 CarbonylContact O-C 3.51Å; L291-Y294 PolarHBondContact O-N 3.45Å; L291-Y294 VanDerWaalsContact O-N 3.16Å; L291-G295 PolarHBondContact O-N 2.94Å; L291-I310 HydrophobicContact CB-CG2 3.98Å; L291-I310 HydrophobicContact CD2-CD1 4.32Å; L291-I310 HydrophobicContact CD2-CG2 4.24Å; L291-I310 WeakPolarHBondContact O-CG2 3.49Å; L291-T313 HydrophobicContact CD1-CG2 3.78Å; L291-A314 HydrophobicContact CB-CB 3.81Å; L291-A314 HydrophobicContact CD1-CB 4.46Å; L291-I317 HydrophobicContact CD1-CD1 3.9Å; L291-L557 HydrophobicContact CD2-CD2 3.83Å
292L98.4Very high95.5Very high10 Ų1030 Ų305%0.05214%0.144CC..Hα-helixtrans-60.5-44.7175.2-68.2-173.3000112.2S288 Y294 G295 F296 Y311 A314 R318 A332S288-L292 PolarHBondContact O-N 3.3Å; L292-Y294 VanDerWaalsContact C-N 3.29Å; L292-Y294 PolarHBondContact O-N 3.39Å; L292-G295 PolarHBondContact O-N 3.32Å; L292-F296 PolarHBondContact O-N 3.22Å; L292-Y311 HydrophobicContact CB-CE1 4.31Å; L292-Y311 HydrophobicContact CD2-CD1 3.56Å; L292-Y311 HydrophobicContact CD2-CE1 3.88Å; L292-Y311 VanDerWaalsContact O-CE1 3.23Å; L292-Y311 WeakPolarHBondContact O-CE1 3.44Å; L292-Y311 PolarHBondContact O-OH 3.45Å; L292-A314 HydrophobicContact CD2-CB 3.5Å; L292-A314 VanDerWaalsContact CD2-CB 3.5Å; L292-A314 HydrophobicContact CG-CB 3.99Å; L292-R318 VanDerWaalsContact CD1-NH1 3.27Å; L292-A332 HydrophobicContact CD2-CB 4.18Å
293D98.5Very high95.3Very high15 Ų1526.7 Ų26.78%0.0813%0.13CC..Hα-helixtrans-70.7-27.2177.3-67.9-38000111.8R250 K254 I269 D289 T290 L291 F296 Y297R250-D293 WeakPolarHBondContact CB-OD2 3.42Å; R250-D293 IonicContact CZ-OD2 2.9Å; R250-D293 IonicContact NE-OD2 3.37Å; R250-D293 PolarHBondContact NE-OD2 2.93Å; R250-D293 IonicContact NH2-OD2 2.91Å; R250-D293 PolarHBondContact NH2-OD2 3.07Å; K254-D293 VanDerWaalsContact CD-OD1 3.28Å; K254-D293 WeakPolarHBondContact CD-OD1 3.49Å; K254-D293 WeakPolarHBondContact CE-OD1 3.5Å; K254-D293 IonicContact NZ-OD1 2.88Å; K254-D293 PolarHBondContact NZ-OD1 3.25Å; K254-D293 IonicContact NZ-OD2 2.82Å; K254-D293 PolarHBondContact NZ-OD2 3.26Å; I269-D293 HydrophobicContact CD1-CB 3.66Å; D289-D293 PolarHBondContact O-N 3.32Å; T290-D293 PolarHBondContact O-N 2.85Å; L291-D293 VanDerWaalsContact C-N 3.35Å; L291-D293 PolarHBondContact O-N 3.33Å; D293-F296 WeakPolarHBondContact O-CB 3.39Å; D293-F296 PolarHBondContact O-N 3.2Å; D293-Y297 PolarHBondContact O-N 2.89Å
294Y98.1Very high95.2Very high3 Ų319.7 Ų19.71%0.01210%0.101CC..Hα-helixtrans-72.4-42.2172.2-171.8-146.1000112.4I269 K270 V273 T290 L291 L292 F296 Y297 L298 I310 A556 V560I269-Y294 HydrophobicContact CG1-CD2 4.14Å; I269-Y294 HydrophobicContact CG1-CG 4.31Å; I269-Y294 HydrophobicContact CG2-CD2 3.73Å; I269-Y294 HydrophobicContact CG2-CE2 4.28Å; K270-Y294 HydrophobicContact CG-CE2 4.41Å; V273-Y294 HydrophobicContact CG2-CD1 4.44Å; V273-Y294 HydrophobicContact CG2-CG 4.38Å; T290-Y294 WeakPolarHBondContact O-CB 3.43Å; T290-Y294 PolarHBondContact O-N 3.22Å; L291-Y294 CarbonylContact O-C 3.51Å; L291-Y294 PolarHBondContact O-N 3.45Å; L291-Y294 VanDerWaalsContact O-N 3.16Å; L292-Y294 VanDerWaalsContact C-N 3.29Å; L292-Y294 PolarHBondContact O-N 3.39Å; Y294-F296 PolarHBondContact O-N 2.89Å; Y294-Y297 AromaticContact CD2-CD1 3.81Å; Y294-Y297 HydrophobicContact CD2-CD1 3.81Å; Y294-Y297 AromaticContact CE2-CD1 3.72Å; Y294-Y297 HydrophobicContact CE2-CD1 3.72Å; Y294-Y297 HydrophobicContact CE2-CE1 4.11Å; Y294-Y297 WeakPolarHBondContact O-CB 3.29Å; Y294-Y297 PolarHBondContact O-N 2.95Å; Y294-L298 HydrophobicContact CD1-CD1 4.21Å; Y294-L298 HydrophobicContact CD2-CD1 4.31Å; Y294-L298 HydrophobicContact CD2-CG 4.13Å; Y294-L298 HydrophobicContact CE1-CD1 4.03Å; Y294-L298 HydrophobicContact CE2-CD1 4.12Å; Y294-L298 HydrophobicContact CE2-CD2 4.02Å; Y294-L298 HydrophobicContact CE2-CG 3.88Å; Y294-L298 HydrophobicContact CG-CD1 4.35Å; Y294-L298 WeakPolarHBondContact O-CG 3.39Å; Y294-L298 PolarHBondContact O-N 3.44Å; Y294-I310 HydrophobicContact CD1-CD1 4.02Å; Y294-I310 HydrophobicContact CD1-CG1 4.23Å; Y294-I310 HydrophobicContact CD1-CG2 4.31Å; Y294-I310 HydrophobicContact CE1-CD1 4.16Å; Y294-I310 HydrophobicContact CE1-CG1 4.43Å; Y294-A556 HydrophobicContact CE1-CB 3.94Å; Y294-A556 PolarHBondContact OH-O 2.93Å; Y294-V560 HydrophobicContact CE1-CG2 3.9Å
295G97.9Very high95.1Very high0 Ų020 Ų200%011%0.109CC..Hα-helixtrans-57.9-38.9170.600000111.6L291 L292 L298 L299 S307 Y311L291-G295 PolarHBondContact O-N 2.94Å; L292-G295 PolarHBondContact O-N 3.32Å; G295-L298 PolarHBondContact O-N 2.87Å; G295-L299 WeakPolarHBondContact O-CB 3.28Å; G295-L299 PolarHBondContact O-N 2.64Å; G295-S307 PolarHBondContact O-OG 3.43Å; G295-Y311 VanDerWaalsContact C-CZ 3.42Å
296F97.9Very high94.9Very high47 Ų4720 Ų2021%0.20611%0.107CC..Hα-helixtrans-64.3-45.4174.7171-100.3000111.7F217 K254 V257 L292 D293 Y294 L299 N300 Y311F217-F296 HydrophobicContact CZ-CZ 4.23Å; K254-F296 HydrophobicContact CB-CE1 4.34Å; K254-F296 HydrophobicContact CG-CD1 3.93Å; K254-F296 HydrophobicContact CG-CE1 3.97Å; V257-F296 HydrophobicContact CB-CE1 3.76Å; V257-F296 HydrophobicContact CB-CZ 4.45Å; V257-F296 HydrophobicContact CG1-CD1 4.34Å; V257-F296 HydrophobicContact CG1-CE1 3.56Å; V257-F296 HydrophobicContact CG1-CZ 3.9Å; V257-F296 HydrophobicContact CG2-CD1 4.4Å; V257-F296 HydrophobicContact CG2-CE1 4.09Å; L292-F296 PolarHBondContact O-N 3.22Å; D293-F296 WeakPolarHBondContact O-CB 3.39Å; D293-F296 PolarHBondContact O-N 3.2Å; Y294-F296 PolarHBondContact O-N 2.89Å; F296-L299 PolarHBondContact O-N 3.29Å; F296-N300 WeakPolarHBondContact CE2-ND2 3.39Å; F296-N300 PolarHBondContact O-N 3.43Å; F296-N300 PolarHBondContact O-ND2 2.92Å; F296-Y311 WeakPolarHBondContact CA-OH 3.36Å; F296-Y311 WeakPolarHBondContact CB-OH 3.5Å; F296-Y311 PolarHBondContact N-OH 3.33Å
297Y97.5Very high94.9Very high14 Ų1419.6 Ų19.66%0.05511%0.106CC..Hα-helixtrans-58.2-52.1173.2162.4-94.1000111.2V257 F262 A265 E266 I269 D293 Y294 L299 N300 V301V257-Y297 HydrophobicContact CG2-CD2 3.98Å; F262-Y297 HydrophobicContact CB-CE2 4.5Å; F262-Y297 WeakPolarHBondContact O-CE2 3.14Å; A265-Y297 HydrophobicContact CB-CD2 3.83Å; A265-Y297 HydrophobicContact CB-CE2 4.1Å; E266-Y297 HydrophobicContact CB-CE1 4.26Å; E266-Y297 HydrophobicContact CB-CE2 3.76Å; E266-Y297 VanDerWaalsContact CB-OH 3.3Å; E266-Y297 WeakPolarHBondContact CB-OH 3.41Å; E266-Y297 VanDerWaalsContact CD-OH 3.27Å; E266-Y297 HydrophobicContact CG-CE1 4.01Å; E266-Y297 HydrophobicContact CG-CE2 4.39Å; E266-Y297 VanDerWaalsContact CG-OH 3.28Å; E266-Y297 WeakPolarHBondContact CG-OH 3.46Å; E266-Y297 PolarHBondContact OE2-OH 3.39Å; I269-Y297 HydrophobicContact CG2-CD1 4.24Å; I269-Y297 HydrophobicContact CG2-CG 4.09Å; D293-Y297 PolarHBondContact O-N 2.89Å; Y294-Y297 AromaticContact CD2-CD1 3.81Å; Y294-Y297 HydrophobicContact CD2-CD1 3.81Å; Y294-Y297 AromaticContact CE2-CD1 3.72Å; Y294-Y297 HydrophobicContact CE2-CD1 3.72Å; Y294-Y297 HydrophobicContact CE2-CE1 4.11Å; Y294-Y297 WeakPolarHBondContact O-CB 3.29Å; Y294-Y297 PolarHBondContact O-N 2.95Å; Y297-L299 VanDerWaalsContact C-N 3.29Å; Y297-L299 PolarHBondContact O-N 3.13Å; Y297-N300 PolarHBondContact O-N 3.12Å; Y297-V301 HydrophobicContact CD1-CG2 4.36Å; Y297-V301 HydrophobicContact CD2-CG1 4.16Å; Y297-V301 HydrophobicContact CE1-CG1 4.44Å; Y297-V301 HydrophobicContact CE1-CG2 3.84Å; Y297-V301 HydrophobicContact CE2-CG1 3.55Å; Y297-V301 HydrophobicContact CE2-CG2 4.43Å; Y297-V301 WeakPolarHBondContact O-CG2 3.44Å; Y297-V301 PolarHBondContact O-N 2.72Å
298L95.1Very high94.9Very high5 Ų520.6 Ų20.63%0.02611%0.113CC..Hα-helixtrans-58-40.6-178.6-72.3169.6000112.1Y294 G295 N300 V301 D302 N303 Q306 I310 A556Y294-L298 HydrophobicContact CD1-CD1 4.21Å; Y294-L298 HydrophobicContact CD2-CD1 4.31Å; Y294-L298 HydrophobicContact CD2-CG 4.13Å; Y294-L298 HydrophobicContact CE1-CD1 4.03Å; Y294-L298 HydrophobicContact CE2-CD1 4.12Å; Y294-L298 HydrophobicContact CE2-CD2 4.02Å; Y294-L298 HydrophobicContact CE2-CG 3.88Å; Y294-L298 HydrophobicContact CG-CD1 4.35Å; Y294-L298 WeakPolarHBondContact O-CG 3.39Å; Y294-L298 PolarHBondContact O-N 3.44Å; G295-L298 PolarHBondContact O-N 2.87Å; L298-N300 VanDerWaalsContact C-N 3.32Å; L298-N300 PolarHBondContact O-N 3.13Å; L298-V301 WeakPolarHBondContact O-CG2 3.29Å; L298-V301 PolarHBondContact O-N 3.13Å; L298-D302 PolarHBondContact O-N 3.38Å; L298-N303 HydrophobicContact CB-CB 4.48Å; L298-N303 HydrophobicContact CD2-CB 4.1Å; L298-N303 PolarHBondContact O-N 3.05Å; L298-Q306 HydrophobicContact CD1-CB 4Å; L298-Q306 HydrophobicContact CD2-CB 4.48Å; L298-I310 HydrophobicContact CD1-CB 4.39Å; L298-I310 HydrophobicContact CD1-CG1 3.72Å; L298-A556 HydrophobicContact CD1-CB 4Å
299L93.7Very high94.8Very high25 Ų2522.9 Ų22.913%0.13113%0.132CC..Hα-helixtrans-60.4-42.3175.4-17170.3000111.7G295 F296 Y297 D302 I304 Y338G295-L299 WeakPolarHBondContact O-CB 3.28Å; G295-L299 PolarHBondContact O-N 2.64Å; F296-L299 PolarHBondContact O-N 3.29Å; Y297-L299 VanDerWaalsContact C-N 3.29Å; Y297-L299 PolarHBondContact O-N 3.13Å; L299-D302 PolarHBondContact O-N 3.5Å; L299-I304 HydrophobicContact CD1-CD1 3.7Å; L299-Y338 HydrophobicContact CD2-CD1 3.73Å; L299-Y338 HydrophobicContact CD2-CE1 3.76Å
300N93.5Very high94.8Very high35 Ų3521.2 Ų21.219%0.18712%0.123CC..Hα-helixtrans-80.3-16.8-177.2-78.5-96.7000114V257 F262 F296 Y297 L298 D302V257-N300 HydrophobicContact CG1-CB 3.38Å; V257-N300 VanDerWaalsContact CG1-CG 3.4Å; F262-N300 HydrophobicContact CE1-CB 4.28Å; F296-N300 WeakPolarHBondContact CE2-ND2 3.39Å; F296-N300 PolarHBondContact O-N 3.43Å; F296-N300 PolarHBondContact O-ND2 2.92Å; Y297-N300 PolarHBondContact O-N 3.12Å; L298-N300 VanDerWaalsContact C-N 3.32Å; L298-N300 PolarHBondContact O-N 3.13Å; N300-D302 VanDerWaalsContact C-N 3.31Å
301V90.4Very high94.8Very high34 Ų3421.5 Ų21.521%0.20612%0.124CC..THydrogen-bonded Turntrans-97.317.2168.2-59.10000112.3F262 Y297 L298 N303F262-V301 HydrophobicContact CB-CG1 3.91Å; F262-V301 HydrophobicContact CD1-CG1 3.46Å; F262-V301 VanDerWaalsContact CD1-CG1 3.46Å; F262-V301 HydrophobicContact CE1-CG1 4.1Å; F262-V301 HydrophobicContact CG-CG1 3.72Å; Y297-V301 HydrophobicContact CD1-CG2 4.36Å; Y297-V301 HydrophobicContact CD2-CG1 4.16Å; Y297-V301 HydrophobicContact CE1-CG1 4.44Å; Y297-V301 HydrophobicContact CE1-CG2 3.84Å; Y297-V301 HydrophobicContact CE2-CG1 3.55Å; Y297-V301 HydrophobicContact CE2-CG2 4.43Å; Y297-V301 WeakPolarHBondContact O-CG2 3.44Å; Y297-V301 PolarHBondContact O-N 2.72Å; L298-V301 WeakPolarHBondContact O-CG2 3.29Å; L298-V301 PolarHBondContact O-N 3.13Å; V301-N303 VanDerWaalsContact C-N 3.25Å; V301-N303 HydrophobicContact CG2-CB 4.44Å; V301-N303 PolarHBondContact O-N 3.18Å
302D87.8Confident94.8Very high11 Ų1124.6 Ų24.66%0.05914%0.138CC..THydrogen-bonded Turntrans67.122.4171-163.419.6000114.2L298 L299 N300 I304 Y510 S511 R547 F551L298-D302 PolarHBondContact O-N 3.38Å; L299-D302 PolarHBondContact O-N 3.5Å; N300-D302 VanDerWaalsContact C-N 3.31Å; D302-I304 PolarHBondContact O-N 3.2Å; D302-Y510 HydrophobicContact CB-CD2 4.39Å; D302-S511 WeakPolarHBondContact OD1-CB 3.39Å; D302-S511 PolarHBondContact OD1-OG 3.26Å; D302-S511 WeakPolarHBondContact OD2-CB 3.48Å; D302-S511 PolarHBondContact OD2-N 3.12Å; D302-S511 PolarHBondContact OD2-OG 3.19Å; D302-R547 IonicContact OD1-NH1 3.24Å; D302-R547 PolarHBondContact OD1-NH1 3.49Å; D302-R547 IonicContact OD2-CZ 2.75Å; D302-R547 IonicContact OD2-NH1 2.65Å; D302-R547 PolarHBondContact OD2-NH1 3.09Å; D302-F551 HydrophobicContact CB-CZ 4.22Å; D302-F551 VanDerWaalsContact O-CE1 3.28Å; D302-F551 WeakPolarHBondContact O-CE1 3.5Å; D302-F551 WeakPolarHBondContact O-CZ 3.27Å
303N89.1Confident94.7Very high44 Ų4426.2 Ų26.224%0.23515%0.149CC..  trans-97.968.1173.3-166.5-12.4000111L298 V301 C305 Q306 S307 F551L298-N303 HydrophobicContact CB-CB 4.48Å; L298-N303 HydrophobicContact CD2-CB 4.1Å; L298-N303 PolarHBondContact O-N 3.05Å; V301-N303 VanDerWaalsContact C-N 3.25Å; V301-N303 HydrophobicContact CG2-CB 4.44Å; V301-N303 PolarHBondContact O-N 3.18Å; N303-C305 PolarHBondContact O-N 3.34Å; N303-Q306 WeakPolarHBondContact OD1-CB 3.48Å; N303-Q306 VanDerWaalsContact OD1-CG 3.24Å; N303-Q306 WeakPolarHBondContact OD1-CG 3.32Å; N303-S307 WeakPolarHBondContact O-CB 3.47Å; N303-S307 PolarHBondContact O-N 3.02Å; N303-F551 HydrophobicContact CB-CD1 4.49Å; N303-F551 HydrophobicContact CB-CE1 4.21Å
304I89.5Confident94.7Very high25 Ų2525.5 Ų25.513%0.12815%0.145CC..Hα-helixtrans-66.1-42.3-168.1-46.5-57.5000112.5L299 D302 Q306 S307 V308 V342 H343L299-I304 HydrophobicContact CD1-CD1 3.7Å; D302-I304 PolarHBondContact O-N 3.2Å; I304-Q306 PolarHBondContact O-N 2.84Å; I304-S307 WeakPolarHBondContact O-CB 3.31Å; I304-S307 PolarHBondContact O-N 3.1Å; I304-S307 VanDerWaalsContact O-N 3.17Å; I304-V308 WeakPolarHBondContact O-CG2 3.4Å; I304-V308 PolarHBondContact O-N 3.49Å; I304-V342 HydrophobicContact CD1-CG1 3.77Å; I304-V342 HydrophobicContact CG1-CG1 4.06Å; I304-V342 HydrophobicContact CG2-CB 4.24Å; I304-V342 HydrophobicContact CG2-CG1 4.04Å; I304-H343 HydrophobicContact CG2-CB 3.73Å
305C89.8Confident94.7Very high74 Ų7425.4 Ų25.450%0.514%0.144SC..Hα-helixtrans-61.7-44.2-177.9-62.10000111.7N303 V308 A309 H343N303-C305 PolarHBondContact O-N 3.34Å; C305-V308 PolarHBondContact O-N 2.88Å; C305-A309 PolarHBondContact O-N 3.47Å; C305-H343 VanDerWaalsContact SG-CE1 3.54Å
306Q91.9Very high94.7Very high25 Ų2529 Ų2912%0.11716%0.164CC..Hα-helixtrans-69.5-36.8176.3-64.6-61.5-3800111.4L298 N303 I304 V308 A309 I310 A554 A556L298-Q306 HydrophobicContact CD1-CB 4Å; L298-Q306 HydrophobicContact CD2-CB 4.48Å; N303-Q306 WeakPolarHBondContact OD1-CB 3.48Å; N303-Q306 VanDerWaalsContact OD1-CG 3.24Å; N303-Q306 WeakPolarHBondContact OD1-CG 3.32Å; I304-Q306 PolarHBondContact O-N 2.84Å; Q306-V308 VanDerWaalsContact C-N 3.35Å; Q306-V308 PolarHBondContact O-N 3.39Å; Q306-A309 PolarHBondContact O-N 2.81Å; Q306-I310 WeakPolarHBondContact O-CB 3.44Å; Q306-I310 VanDerWaalsContact O-CG1 3.24Å; Q306-I310 WeakPolarHBondContact O-CG1 3.15Å; Q306-I310 PolarHBondContact O-N 3.03Å; Q306-A554 PolarHBondContact NE2-O 2.99Å; Q306-A556 HydrophobicContact CB-CB 3.9Å; Q306-A556 HydrophobicContact CG-CB 4.1Å
307S95.3Very high94.6Very high0 Ų027.3 Ų27.30%016%0.157CC..Hα-helixtrans-55.7-48.2174-179.10000111.8G295 N303 I304 A309 I310 Y311 S339G295-S307 PolarHBondContact O-OG 3.43Å; N303-S307 WeakPolarHBondContact O-CB 3.47Å; N303-S307 PolarHBondContact O-N 3.02Å; I304-S307 WeakPolarHBondContact O-CB 3.31Å; I304-S307 PolarHBondContact O-N 3.1Å; I304-S307 VanDerWaalsContact O-N 3.17Å; S307-A309 PolarHBondContact O-N 3.27Å; S307-I310 PolarHBondContact O-N 2.95Å; S307-Y311 WeakPolarHBondContact O-CB 3.41Å; S307-Y311 WeakPolarHBondContact O-CD2 3.38Å; S307-Y311 PolarHBondContact O-N 2.94Å; S307-Y311 WeakPolarHBondContact OG-CD2 3.22Å; S307-Y311 WeakPolarHBondContact OG-CE2 3.45Å; S307-S339 WeakPolarHBondContact CB-OG 3.34Å; S307-S339 PolarHBondContact OG-OG 3.1Å
308V95.9Very high94.6Very high30 Ų3027.3 Ų27.318%0.18216%0.157CC..Hα-helixtrans-59.4-47.4177.1173.50000111.4I304 C305 Q306 I310 Y311 Q312 L336 S339 H343I304-V308 WeakPolarHBondContact O-CG2 3.4Å; I304-V308 PolarHBondContact O-N 3.49Å; C305-V308 PolarHBondContact O-N 2.88Å; Q306-V308 VanDerWaalsContact C-N 3.35Å; Q306-V308 PolarHBondContact O-N 3.39Å; V308-I310 PolarHBondContact O-N 3.21Å; V308-Y311 PolarHBondContact O-N 3.35Å; V308-Q312 WeakPolarHBondContact O-CB 3.47Å; V308-Q312 PolarHBondContact O-N 2.85Å; V308-L336 HydrophobicContact CG1-CD1 3.98Å; V308-S339 WeakPolarHBondContact CG2-OG 3.26Å; V308-S339 PolarHBondContact N-OG 3.06Å; V308-H343 HydrophobicContact CG2-CB 3.91Å
309A96Very high94.6Very high48 Ų4830.4 Ų30.440%0.39717%0.171SC..Hα-helixtrans-62.2-41.7-179.700000112.8C305 Q306 S307 Q312 T313C305-A309 PolarHBondContact O-N 3.47Å; Q306-A309 PolarHBondContact O-N 2.81Å; S307-A309 PolarHBondContact O-N 3.27Å; A309-Q312 PolarHBondContact O-N 3.34Å; A309-T313 PolarHBondContact O-N 3.49Å; A309-T313 PolarHBondContact O-OG1 2.8Å
310I97.1Very high94.6Very high1 Ų131.8 Ų31.81%0.00518%0.183CC..Hα-helixtrans-66.1-44.6176.9-68.8-65.9000111.1L291 Y294 L298 Q306 S307 V308 Q312 T313 A314 A556 L557L291-I310 HydrophobicContact CB-CG2 3.98Å; L291-I310 HydrophobicContact CD2-CD1 4.32Å; L291-I310 HydrophobicContact CD2-CG2 4.24Å; L291-I310 WeakPolarHBondContact O-CG2 3.49Å; Y294-I310 HydrophobicContact CD1-CD1 4.02Å; Y294-I310 HydrophobicContact CD1-CG1 4.23Å; Y294-I310 HydrophobicContact CD1-CG2 4.31Å; Y294-I310 HydrophobicContact CE1-CD1 4.16Å; Y294-I310 HydrophobicContact CE1-CG1 4.43Å; L298-I310 HydrophobicContact CD1-CB 4.39Å; L298-I310 HydrophobicContact CD1-CG1 3.72Å; Q306-I310 WeakPolarHBondContact O-CB 3.44Å; Q306-I310 VanDerWaalsContact O-CG1 3.24Å; Q306-I310 WeakPolarHBondContact O-CG1 3.15Å; Q306-I310 PolarHBondContact O-N 3.03Å; S307-I310 PolarHBondContact O-N 2.95Å; V308-I310 PolarHBondContact O-N 3.21Å; I310-Q312 VanDerWaalsContact C-N 3.35Å; I310-Q312 PolarHBondContact O-N 3.32Å; I310-T313 PolarHBondContact O-N 3.19Å; I310-A314 PolarHBondContact O-N 3.22Å; I310-A556 HydrophobicContact CD1-CB 4.3Å; I310-A556 HydrophobicContact CG1-CB 4.3Å; I310-L557 HydrophobicContact CD1-CD1 4.26Å; I310-L557 HydrophobicContact CD1-CD2 3.36Å; I310-L557 HydrophobicContact CD1-CG 3.5Å; I310-L557 VanDerWaalsContact CD1-CG 3.5Å
311Y98.5Very high94.5Very high5 Ų530.3 Ų30.32%0.0218%0.175CC..Hα-helixtrans-63.5-39.5176.5-79.5-51.9000112.5L292 G295 F296 S307 V308 A314 L315 D335L292-Y311 HydrophobicContact CB-CE1 4.31Å; L292-Y311 HydrophobicContact CD2-CD1 3.56Å; L292-Y311 HydrophobicContact CD2-CE1 3.88Å; L292-Y311 VanDerWaalsContact O-CE1 3.23Å; L292-Y311 WeakPolarHBondContact O-CE1 3.44Å; L292-Y311 PolarHBondContact O-OH 3.45Å; G295-Y311 VanDerWaalsContact C-CZ 3.42Å; F296-Y311 WeakPolarHBondContact CA-OH 3.36Å; F296-Y311 WeakPolarHBondContact CB-OH 3.5Å; F296-Y311 PolarHBondContact N-OH 3.33Å; S307-Y311 WeakPolarHBondContact O-CB 3.41Å; S307-Y311 WeakPolarHBondContact O-CD2 3.38Å; S307-Y311 PolarHBondContact O-N 2.94Å; S307-Y311 WeakPolarHBondContact OG-CD2 3.22Å; S307-Y311 WeakPolarHBondContact OG-CE2 3.45Å; V308-Y311 PolarHBondContact O-N 3.35Å; Y311-A314 PolarHBondContact O-N 3.09Å; Y311-L315 WeakPolarHBondContact O-CB 3.49Å; Y311-L315 PolarHBondContact O-N 3.16Å; Y311-D335 HydrophobicContact CD1-CB 3.74Å; Y311-D335 HydrophobicContact CE1-CB 3.46Å; Y311-D335 VanDerWaalsContact CE1-CB 3.46Å; Y311-D335 HydrophobicContact CE2-CB 4.46Å; Y311-D335 HydrophobicContact CG-CB 4.37Å
312Q98.3Very high94.6Very high65 Ų6528.9 Ų28.930%0.30417%0.166SC..Hα-helixtrans-60-47.4173.7-175.763.360.500111.2V308 A309 I310 A314 L315 D316 L336V308-Q312 WeakPolarHBondContact O-CB 3.47Å; V308-Q312 PolarHBondContact O-N 2.85Å; A309-Q312 PolarHBondContact O-N 3.34Å; I310-Q312 VanDerWaalsContact C-N 3.35Å; I310-Q312 PolarHBondContact O-N 3.32Å; Q312-A314 VanDerWaalsContact C-N 3.31Å; Q312-A314 PolarHBondContact O-N 2.99Å; Q312-L315 WeakPolarHBondContact O-CB 3.49Å; Q312-L315 PolarHBondContact O-N 3.48Å; Q312-D316 PolarHBondContact NE2-OD1 2.91Å; Q312-D316 PolarHBondContact O-N 2.92Å; Q312-L336 HydrophobicContact CB-CD2 4.46Å
313T97.8Very high94.7Very high44 Ų4429.5 Ų29.527%0.2718%0.175SC..Hα-helixtrans-59.3-43.2176.7-55.90000111.5L291 A309 I310 L315 D316 I317L291-T313 HydrophobicContact CD1-CG2 3.78Å; A309-T313 PolarHBondContact O-N 3.49Å; A309-T313 PolarHBondContact O-OG1 2.8Å; I310-T313 PolarHBondContact O-N 3.19Å; T313-L315 VanDerWaalsContact C-N 3.34Å; T313-L315 PolarHBondContact O-N 2.91Å; T313-D316 PolarHBondContact O-N 3.02Å; T313-I317 HydrophobicContact CG2-CD1 4.19Å; T313-I317 WeakPolarHBondContact O-CD1 3.15Å; T313-I317 VanDerWaalsContact O-CG1 3.31Å; T313-I317 WeakPolarHBondContact O-CG1 3.27Å; T313-I317 PolarHBondContact O-N 3.22Å; T313-I317 VanDerWaalsContact O-N 3.1Å
314A98.3Very high94.5Very high0 Ų029.3 Ų29.30%018%0.183CC..Hα-helixtrans-63.8-39.5178.200000112.4S288 L291 L292 I310 Y311 Q312 R318S288-A314 PolarHBondContact OG-O 3.41Å; L291-A314 HydrophobicContact CB-CB 3.81Å; L291-A314 HydrophobicContact CD1-CB 4.46Å; L292-A314 HydrophobicContact CD2-CB 3.5Å; L292-A314 VanDerWaalsContact CD2-CB 3.5Å; L292-A314 HydrophobicContact CG-CB 3.99Å; I310-A314 PolarHBondContact O-N 3.22Å; Y311-A314 PolarHBondContact O-N 3.09Å; Q312-A314 VanDerWaalsContact C-N 3.31Å; Q312-A314 PolarHBondContact O-N 2.99Å; A314-R318 PolarHBondContact O-N 3Å; A314-R318 VanDerWaalsContact O-N 3.12Å
315L98.4Very high94.6Very high1 Ų131.4 Ų31.41%0.00519%0.191CC..Hα-helixtrans-64.5-47.8174.9173.763000111.3Y311 Q312 T313 I317 R318 Q319 V329 A332 H333 L336Y311-L315 WeakPolarHBondContact O-CB 3.49Å; Y311-L315 PolarHBondContact O-N 3.16Å; Q312-L315 WeakPolarHBondContact O-CB 3.49Å; Q312-L315 PolarHBondContact O-N 3.48Å; T313-L315 VanDerWaalsContact C-N 3.34Å; T313-L315 PolarHBondContact O-N 2.91Å; L315-I317 VanDerWaalsContact C-N 3.29Å; L315-I317 PolarHBondContact O-N 2.97Å; L315-R318 PolarHBondContact O-N 3.43Å; L315-Q319 HydrophobicContact CD1-CG 3.96Å; L315-Q319 HydrophobicContact CG-CG 4.37Å; L315-Q319 WeakPolarHBondContact O-CG 3.42Å; L315-Q319 PolarHBondContact O-N 2.73Å; L315-V329 HydrophobicContact CD1-CG1 4.07Å; L315-A332 HydrophobicContact CB-CB 4.09Å; L315-A332 HydrophobicContact CD1-CB 3.87Å; L315-H333 VanDerWaalsContact CD2-CE1 3.45Å; L315-H333 WeakPolarHBondContact CD2-CE1 3.38Å; L315-H333 WeakPolarHBondContact CD2-ND1 3.48Å; L315-L336 HydrophobicContact CD2-CD2 3.66Å
316D97.5Very high94.8Very high75 Ų7528 Ų2840%0.40117%0.168SC..Hα-helixtrans-57.7-43.9179.5-66.2-15.4000110.8Q312 T313 R318 Q319 S320Q312-D316 PolarHBondContact NE2-OD1 2.91Å; Q312-D316 PolarHBondContact O-N 2.92Å; T313-D316 PolarHBondContact O-N 3.02Å; D316-R318 PolarHBondContact O-N 2.91Å; D316-Q319 PolarHBondContact O-N 3.49Å; D316-S320 VanDerWaalsContact O-CB 3.23Å; D316-S320 WeakPolarHBondContact O-CB 3.47Å; D316-S320 PolarHBondContact O-N 3.27Å; D316-S320 PolarHBondContact O-OG 3.38Å
317I96.1Very high95Very high13 Ų1327.1 Ų27.17%0.06716%0.164CC..Hα-helixtrans-60.5-47.7174.8-65.8160.6000110.5H282 Y287 L291 T313 L315 Q319 S320 V321H282-I317 WeakPolarHBondContact O-CD1 3.41Å; Y287-I317 HydrophobicContact CD1-CD1 3.75Å; Y287-I317 HydrophobicContact CE1-CD1 4.14Å; L291-I317 HydrophobicContact CD1-CD1 3.9Å; T313-I317 HydrophobicContact CG2-CD1 4.19Å; T313-I317 WeakPolarHBondContact O-CD1 3.15Å; T313-I317 VanDerWaalsContact O-CG1 3.31Å; T313-I317 WeakPolarHBondContact O-CG1 3.27Å; T313-I317 PolarHBondContact O-N 3.22Å; T313-I317 VanDerWaalsContact O-N 3.1Å; L315-I317 VanDerWaalsContact C-N 3.29Å; L315-I317 PolarHBondContact O-N 2.97Å; I317-Q319 PolarHBondContact O-N 2.71Å; I317-S320 WeakPolarHBondContact CA-OG 3.45Å; I317-S320 CarbonylContact O-C 3.49Å; I317-S320 PolarHBondContact O-N 3.11Å; I317-S320 PolarHBondContact O-OG 2.98Å; I317-V321 WeakPolarHBondContact O-CG2 3.45Å; I317-V321 PolarHBondContact O-N 3.41Å
318R96.4Very high95.1Very high13 Ų1328.2 Ų28.25%0.04917%0.169CC..Hα-helixtrans-63.8-42.4-179-81172.8171.7-152.6-0.2112.2S288 D289 L292 A314 L315 D316 S320 V321 F322 H328 V329S288-R318 WeakPolarHBondContact OG-CD 3.45Å; S288-R318 WeakPolarHBondContact OG-CG 3.34Å; S288-R318 PolarHBondContact OG-NE 3.46Å; D289-R318 IonicContact OD1-CZ 3.83Å; D289-R318 IonicContact OD1-NH2 2.68Å; D289-R318 PolarHBondContact OD1-NH2 2.89Å; L292-R318 VanDerWaalsContact CD1-NH1 3.27Å; A314-R318 PolarHBondContact O-N 3Å; A314-R318 VanDerWaalsContact O-N 3.12Å; L315-R318 PolarHBondContact O-N 3.43Å; D316-R318 PolarHBondContact O-N 2.91Å; R318-S320 VanDerWaalsContact C-N 3.3Å; R318-S320 PolarHBondContact O-N 3.21Å; R318-V321 PolarHBondContact O-N 3.34Å; R318-F322 HydrophobicContact CB-CD2 4.29Å; R318-F322 HydrophobicContact CG-CD2 4.3Å; R318-F322 HydrophobicContact CG-CE2 4.38Å; R318-F322 WeakPolarHBondContact O-CB 3.4Å; R318-F322 WeakPolarHBondContact O-CD2 3.03Å; R318-F322 PolarHBondContact O-N 3.05Å; R318-H328 WeakPolarHBondContact CD-O 3.23Å; R318-H328 HydrophobicContact CG-CB 4.44Å; R318-H328 PolarHBondContact NH1-O 2.93Å; R318-V329 HydrophobicContact CB-CG2 4.05Å
319Q95.8Very high95.2Very high71 Ų7126.8 Ų26.833%0.33216%0.161SC..Hα-helixtrans-63.2-40.2174.5-71.7-179.4-25.200111.3L315 D316 I317 V321 G323 V329 H333L315-Q319 HydrophobicContact CD1-CG 3.96Å; L315-Q319 HydrophobicContact CG-CG 4.37Å; L315-Q319 WeakPolarHBondContact O-CG 3.42Å; L315-Q319 PolarHBondContact O-N 2.73Å; D316-Q319 PolarHBondContact O-N 3.49Å; I317-Q319 PolarHBondContact O-N 2.71Å; Q319-V321 PolarHBondContact O-N 3.36Å; Q319-V321 VanDerWaalsContact O-N 3.16Å; Q319-G323 WeakPolarHBondContact CA-O 3.41Å; Q319-G323 WeakPolarHBondContact O-CA 3.45Å; Q319-G323 PolarHBondContact O-N 3.29Å; Q319-V329 HydrophobicContact CG-CG1 3.79Å; Q319-V329 HydrophobicContact CG-CG2 4.38Å; Q319-H333 PolarHBondContact NE2-NE2 3.45Å
320S92.8Very high95.3Very high54 Ų5424.5 Ų24.538%0.37814%0.142SC..Hα-helixtrans-69.5-4.1176.583.10000114.7H81 D316 I317 R318H81-S320 PolarHBondContact CE1-O 2.95Å; H81-S320 PolarHBondContact NE2-O 3.25Å; D316-S320 VanDerWaalsContact O-CB 3.23Å; D316-S320 WeakPolarHBondContact O-CB 3.47Å; D316-S320 PolarHBondContact O-N 3.27Å; D316-S320 PolarHBondContact O-OG 3.38Å; I317-S320 WeakPolarHBondContact CA-OG 3.45Å; I317-S320 CarbonylContact O-C 3.49Å; I317-S320 PolarHBondContact O-N 3.11Å; I317-S320 PolarHBondContact O-OG 2.98Å; R318-S320 VanDerWaalsContact C-N 3.3Å; R318-S320 PolarHBondContact O-N 3.21Å
321V91.4Very high95.2Very high4 Ų426.2 Ų26.22%0.02415%0.154CC..Hα-helixtrans-120.2-41.6176.41770000111.4H80 P285 I317 R318 Q319H80-V321 HydrophobicContact CB-CG1 3.88Å; P285-V321 HydrophobicContact CG-CB 4.26Å; P285-V321 HydrophobicContact CG-CG1 3.78Å; P285-V321 HydrophobicContact CG-CG2 4.17Å; I317-V321 WeakPolarHBondContact O-CG2 3.45Å; I317-V321 PolarHBondContact O-N 3.41Å; R318-V321 PolarHBondContact O-N 3.34Å; Q319-V321 PolarHBondContact O-N 3.36Å; Q319-V321 VanDerWaalsContact O-N 3.16Å
322F93.1Very high95.2Very high4 Ų426 Ų262%0.01815%0.153CC..Hα-helixtrans-110.68.7-171.7-54-63.2000113.7H80 Q84 D132 P285 R318 N326 H328 V329H80-F322 HydrophobicContact CB-CD1 4.33Å; H80-F322 HydrophobicContact CB-CE1 4.41Å; H80-F322 AromaticContact CG-CE1 3.98Å; H80-F322 AromaticContact ND1-CE1 3.79Å; Q84-F322 VanDerWaalsContact CD-O 3.22Å; Q84-F322 WeakPolarHBondContact CG-O 3.44Å; Q84-F322 PolarHBondContact OE1-O 3.27Å; D132-F322 WeakPolarHBondContact O-CE1 3.17Å; D132-F322 WeakPolarHBondContact O-CZ 3.46Å; P285-F322 HydrophobicContact CB-CE2 3.94Å; P285-F322 HydrophobicContact CB-CZ 3.86Å; P285-F322 HydrophobicContact CG-CE2 3.89Å; P285-F322 HydrophobicContact CG-CZ 3.63Å; R318-F322 HydrophobicContact CB-CD2 4.29Å; R318-F322 HydrophobicContact CG-CD2 4.3Å; R318-F322 HydrophobicContact CG-CE2 4.38Å; R318-F322 WeakPolarHBondContact O-CB 3.4Å; R318-F322 WeakPolarHBondContact O-CD2 3.03Å; R318-F322 PolarHBondContact O-N 3.05Å; F322-N326 HydrophobicContact CB-CB 3.74Å; F322-H328 HydrophobicContact CD2-CB 4.04Å; F322-H328 HydrophobicContact CE2-CB 4.13Å; F322-H328 AromaticContact CE2-CD2 3.95Å; F322-V329 HydrophobicContact CB-CG2 4.14Å
323G89Confident95.2Very high23 Ų2323.1 Ų23.124%0.23714%0.139CC..  trans65.2-150.6179.200000113.3Q319 V329Q319-G323 WeakPolarHBondContact CA-O 3.41Å; Q319-G323 WeakPolarHBondContact O-CA 3.45Å; Q319-G323 PolarHBondContact O-N 3.29Å; G323-V329 WeakPolarHBondContact O-CG2 3.45Å
324G84.8Confident95.2Very high40 Ų4022.4 Ų22.441%0.41213%0.133SC..SBendtrans-91.8-40.4-173.200000115N326 I363G324-N326 PolarHBondContact O-N 2.93Å; G324-I363 WeakPolarHBondContact O-CD1 3.38Å
325K91.8Very high95.2Very high69 Ų6924.8 Ų24.830%0.315%0.146SC..SBendtrans-106.370.1-170.3-66.3175168.4-1700111.9Q84 H366Q84-K325 PolarHBondContact NE2-O 2.66Å; K325-H366 PolarHBondContact NZ-CE1 3.27Å; K325-H366 PolarHBondContact NZ-NE2 3.19Å
326N95.4Very high95.2Very high3 Ų324.8 Ų24.82%0.01615%0.146CC..  trans-136146.6-178.7-169.1-78.8000111.5Q84 A133 F322 G324 H328 V329 A330Q84-N326 PolarHBondContact OE1-ND2 3.14Å; A133-N326 PolarHBondContact O-ND2 3.39Å; F322-N326 HydrophobicContact CB-CB 3.74Å; G324-N326 PolarHBondContact O-N 2.93Å; N326-H328 VanDerWaalsContact C-N 3.26Å; N326-H328 PolarHBondContact O-N 3.28Å; N326-H328 WeakPolarHBondContact OD1-CB 3.34Å; N326-H328 PolarHBondContact OD1-CD2 3.44Å; N326-H328 VanDerWaalsContact OD1-CD2 3.23Å; N326-H328 PolarHBondContact OD1-N 3.13Å; N326-V329 HydrophobicContact CB-CB 4.35Å; N326-V329 HydrophobicContact CB-CG2 4.03Å; N326-V329 WeakPolarHBondContact O-CB 3.22Å; N326-V329 PolarHBondContact O-N 3.41Å; N326-A330 PolarHBondContact O-N 3.21Å
327I95.6Very high95.3Very high7 Ų721.2 Ų21.24%0.03613%0.127CC..Hα-helixtrans-59.1-36.6-179.3-156.8171.8000112.4G134 Y136 V329 A330 S331 I367 L368 L374G134-I327 VanDerWaalsContact CA-CG2 3.5Å; Y136-I327 HydrophobicContact CD2-CD1 3.97Å; Y136-I327 HydrophobicContact CE2-CD1 3.9Å; Y136-I327 HydrophobicContact CE2-CG2 4.16Å; I327-V329 VanDerWaalsContact C-N 3.34Å; I327-A330 PolarHBondContact O-N 3.43Å; I327-S331 PolarHBondContact O-N 2.9Å; I327-S331 PolarHBondContact O-OG 3.21Å; I327-I367 HydrophobicContact CB-CD1 3.91Å; I327-L368 HydrophobicContact CD1-CD1 3.83Å; I327-L368 HydrophobicContact CG1-CD1 4.25Å; I327-L374 HydrophobicContact CD1-CD1 3.48Å; I327-L374 VanDerWaalsContact CD1-CD1 3.48Å; I327-L374 HydrophobicContact CG1-CD1 3.71Å
328H96.9Very high95.4Very high22 Ų2224.8 Ų24.810%0.10214%0.14CC..Hα-helixtrans-67.5-38.3177.5-61.7-63.2000111.1D132 G134 Y136 R318 F322 N326 S331 A332D132-H328 PolarHBondContact O-NE2 3.33Å; G134-H328 WeakPolarHBondContact CA-NE2 3.33Å; G134-H328 PolarHBondContact N-NE2 3.07Å; Y136-H328 PolarHBondContact OH-CE1 2.89Å; R318-H328 WeakPolarHBondContact CD-O 3.23Å; R318-H328 HydrophobicContact CG-CB 4.44Å; R318-H328 PolarHBondContact NH1-O 2.93Å; F322-H328 HydrophobicContact CD2-CB 4.04Å; F322-H328 HydrophobicContact CE2-CB 4.13Å; F322-H328 AromaticContact CE2-CD2 3.95Å; N326-H328 VanDerWaalsContact C-N 3.26Å; N326-H328 PolarHBondContact O-N 3.28Å; N326-H328 WeakPolarHBondContact OD1-CB 3.34Å; N326-H328 PolarHBondContact OD1-CD2 3.44Å; N326-H328 VanDerWaalsContact OD1-CD2 3.23Å; N326-H328 PolarHBondContact OD1-N 3.13Å; H328-S331 PolarHBondContact O-N 2.89Å; H328-A332 PolarHBondContact O-N 3.46Å; H328-A332 VanDerWaalsContact O-N 3.09Å
329V97.5Very high95.4Very high0 Ų024.2 Ų24.20%014%0.138CC..Hα-helixtrans-68.3-41.4177.21770000110.1L315 R318 Q319 F322 G323 N326 I327 A332 H333 I363L315-V329 HydrophobicContact CD1-CG1 4.07Å; R318-V329 HydrophobicContact CB-CG2 4.05Å; Q319-V329 HydrophobicContact CG-CG1 3.79Å; Q319-V329 HydrophobicContact CG-CG2 4.38Å; F322-V329 HydrophobicContact CB-CG2 4.14Å; G323-V329 WeakPolarHBondContact O-CG2 3.45Å; N326-V329 HydrophobicContact CB-CB 4.35Å; N326-V329 HydrophobicContact CB-CG2 4.03Å; N326-V329 WeakPolarHBondContact O-CB 3.22Å; N326-V329 PolarHBondContact O-N 3.41Å; I327-V329 VanDerWaalsContact C-N 3.34Å; V329-A332 PolarHBondContact O-N 3.43Å; V329-H333 PolarHBondContact O-CD2 2.67Å; V329-H333 PolarHBondContact O-N 3.37Å; V329-I363 HydrophobicContact CG1-CD1 4.05Å
330A97.8Very high95.5Very high0 Ų021.1 Ų21.10%012%0.124CC..Hα-helixtrans-59.7-47.3173.700000112.8N326 I327 A332 H333 E334 I363 I364N326-A330 PolarHBondContact O-N 3.21Å; I327-A330 PolarHBondContact O-N 3.43Å; A330-A332 VanDerWaalsContact C-N 3.32Å; A330-A332 PolarHBondContact O-N 3.48Å; A330-H333 WeakPolarHBondContact O-CB 3.45Å; A330-H333 PolarHBondContact O-N 2.79Å; A330-E334 PolarHBondContact O-N 3.33Å; A330-I363 HydrophobicContact CB-CB 4Å; A330-I363 HydrophobicContact CB-CG2 3.79Å; A330-I364 HydrophobicContact CB-CD1 4.14Å; A330-I364 HydrophobicContact CB-CG1 3.65Å
331S96.8Very high95.7Very high37 Ų3719 Ų1926%0.25911%0.108SC..Hα-helixtrans-61.7-39.4177.6-59.50000112.4I327 H328 E334 D335I327-S331 PolarHBondContact O-N 2.9Å; I327-S331 PolarHBondContact O-OG 3.21Å; H328-S331 PolarHBondContact O-N 2.89Å; S331-E334 PolarHBondContact O-N 3.45Å; S331-D335 PolarHBondContact O-N 3.48Å
332A98.3Very high95.8Very high0 Ų021 Ų210%012%0.12CC..Hα-helixtrans-67.7-36.6176.700000112.2L292 L315 H328 V329 A330 L336L292-A332 HydrophobicContact CD2-CB 4.18Å; L315-A332 HydrophobicContact CB-CB 4.09Å; L315-A332 HydrophobicContact CD1-CB 3.87Å; H328-A332 PolarHBondContact O-N 3.46Å; H328-A332 VanDerWaalsContact O-N 3.09Å; V329-A332 PolarHBondContact O-N 3.43Å; A330-A332 VanDerWaalsContact C-N 3.32Å; A330-A332 PolarHBondContact O-N 3.48Å; A332-L336 VanDerWaalsContact O-CB 3.26Å; A332-L336 WeakPolarHBondContact O-CB 3.35Å; A332-L336 PolarHBondContact O-N 2.99Å
333H98.6Very high95.7Very high5 Ų524.9 Ų24.92%0.02314%0.138CC..Hα-helixtrans-62.3-42.6170.3-83.6-53.6000112.2L315 Q319 V329 A330 L336 A337 H356 A360L315-H333 VanDerWaalsContact CD2-CE1 3.45Å; L315-H333 WeakPolarHBondContact CD2-CE1 3.38Å; L315-H333 WeakPolarHBondContact CD2-ND1 3.48Å; Q319-H333 PolarHBondContact NE2-NE2 3.45Å; V329-H333 PolarHBondContact O-CD2 2.67Å; V329-H333 PolarHBondContact O-N 3.37Å; A330-H333 WeakPolarHBondContact O-CB 3.45Å; A330-H333 PolarHBondContact O-N 2.79Å; H333-L336 PolarHBondContact O-N 3.1Å; H333-A337 VanDerWaalsContact O-CB 3.22Å; H333-A337 WeakPolarHBondContact O-CB 3.48Å; H333-A337 PolarHBondContact O-N 3.24Å; H333-H356 AromaticContact CE1-ND1 3.56Å; H333-H356 AromaticContact ND1-CE1 3.92Å; H333-H356 AromaticContact ND1-CG 3.92Å; H333-H356 AromaticContact ND1-ND1 3.03Å; H333-H356 PolarHBondContact ND1-ND1 2.87Å; H333-A360 HydrophobicContact CB-CB 3.89Å
334E97.9Very high96Very high30 Ų3024.7 Ų24.714%0.1413%0.131CC..Hα-helixtrans-60.9-49.8177.3-176.3-173.6128.300112A330 S331 L336 A337 Y338 A360 S377 S378A330-E334 PolarHBondContact O-N 3.33Å; S331-E334 PolarHBondContact O-N 3.45Å; E334-L336 VanDerWaalsContact C-N 3.34Å; E334-L336 PolarHBondContact O-N 3.34Å; E334-A337 WeakPolarHBondContact O-CB 3.43Å; E334-A337 PolarHBondContact O-N 3.08Å; E334-Y338 PolarHBondContact O-N 2.99Å; E334-Y338 VanDerWaalsContact O-N 3.08Å; E334-A360 HydrophobicContact CB-CB 4.22Å; E334-S377 WeakPolarHBondContact OE1-CB 3.48Å; E334-S377 PolarHBondContact OE1-OG 3.06Å; E334-S378 WeakPolarHBondContact CG-OG 3.42Å; E334-S378 PolarHBondContact OE2-N 2.94Å; E334-S378 PolarHBondContact OE2-OG 3.17Å
335D98Very high96.2Very high50 Ų5027.5 Ų27.527%0.26713%0.13SC..Hα-helixtrans-60.2-45.4179.8-73.4-28.6000111.2Y311 S331 A337 Y338 S339Y311-D335 HydrophobicContact CD1-CB 3.74Å; Y311-D335 HydrophobicContact CE1-CB 3.46Å; Y311-D335 VanDerWaalsContact CE1-CB 3.46Å; Y311-D335 HydrophobicContact CE2-CB 4.46Å; Y311-D335 HydrophobicContact CG-CB 4.37Å; S331-D335 PolarHBondContact O-N 3.48Å; D335-A337 VanDerWaalsContact C-N 3.34Å; D335-A337 PolarHBondContact O-N 3.4Å; D335-Y338 PolarHBondContact O-N 2.91Å; D335-S339 PolarHBondContact O-N 3Å
336L98.4Very high95.8Very high1 Ų129.9 Ų29.91%0.00516%0.155CC..Hα-helixtrans-65.7-36.3176.7-178.357.1000112.2V308 Q312 L315 A332 H333 E334 S339 S340 H356V308-L336 HydrophobicContact CG1-CD1 3.98Å; Q312-L336 HydrophobicContact CB-CD2 4.46Å; L315-L336 HydrophobicContact CD2-CD2 3.66Å; A332-L336 VanDerWaalsContact O-CB 3.26Å; A332-L336 WeakPolarHBondContact O-CB 3.35Å; A332-L336 PolarHBondContact O-N 2.99Å; H333-L336 PolarHBondContact O-N 3.1Å; E334-L336 VanDerWaalsContact C-N 3.34Å; E334-L336 PolarHBondContact O-N 3.34Å; L336-S339 PolarHBondContact O-N 2.87Å; L336-S340 WeakPolarHBondContact O-CB 3.25Å; L336-S340 PolarHBondContact O-N 2.98Å; L336-S340 PolarHBondContact O-OG 3.22Å; L336-H356 VanDerWaalsContact CD2-NE2 3.32Å; L336-H356 WeakPolarHBondContact CD2-NE2 3.38Å
337A98.5Very high95.4Very high0 Ų032.8 Ų32.80%018%0.175CC..Hα-helixtrans-61.7-46177.100000111.1H333 E334 D335 S340 Y341 H356 A357 V381H333-A337 VanDerWaalsContact O-CB 3.22Å; H333-A337 WeakPolarHBondContact O-CB 3.48Å; H333-A337 PolarHBondContact O-N 3.24Å; E334-A337 WeakPolarHBondContact O-CB 3.43Å; E334-A337 PolarHBondContact O-N 3.08Å; D335-A337 VanDerWaalsContact C-N 3.34Å; D335-A337 PolarHBondContact O-N 3.4Å; A337-S340 PolarHBondContact O-N 3.39Å; A337-Y341 WeakPolarHBondContact O-CB 3.44Å; A337-Y341 PolarHBondContact O-N 3.45Å; A337-H356 HydrophobicContact CB-CB 3.71Å; A337-A357 HydrophobicContact CB-CB 3.98Å; A337-V381 HydrophobicContact CB-CG1 3.95Å
338Y97.8Very high95.1Very high88 Ų8833.7 Ų33.735%0.34519%0.187SC..Hα-helixtrans-68.3-43.9178.6-175.2-116.5000112.1L299 E334 D335 S340 Y341 V342 V381L299-Y338 HydrophobicContact CD2-CD1 3.73Å; L299-Y338 HydrophobicContact CD2-CE1 3.76Å; E334-Y338 PolarHBondContact O-N 2.99Å; E334-Y338 VanDerWaalsContact O-N 3.08Å; D335-Y338 PolarHBondContact O-N 2.91Å; Y338-S340 VanDerWaalsContact C-N 3.32Å; Y338-S340 PolarHBondContact O-N 2.99Å; Y338-Y341 HydrophobicContact CD2-CD1 4.24Å; Y338-Y341 HydrophobicContact CE2-CD1 4.18Å; Y338-Y341 WeakPolarHBondContact O-CB 3.36Å; Y338-Y341 PolarHBondContact O-N 2.82Å; Y338-V342 HydrophobicContact CE1-CG2 4.37Å; Y338-V342 HydrophobicContact CE2-CG2 4.27Å; Y338-V342 WeakPolarHBondContact O-CG2 3.37Å; Y338-V342 PolarHBondContact O-N 3.33Å; Y338-V342 VanDerWaalsContact O-N 3.08Å; Y338-V381 HydrophobicContact CD2-CG2 4.08Å; Y338-V381 HydrophobicContact CG-CG2 4.37Å
339S97.1Very high94.9Very high0 Ų039.6 Ų39.60%021%0.212CC..Hα-helixtrans-62-41176.2-169.10000111.8S307 V308 D335 L336 V342 H343S307-S339 WeakPolarHBondContact CB-OG 3.34Å; S307-S339 PolarHBondContact OG-OG 3.1Å; V308-S339 WeakPolarHBondContact CG2-OG 3.26Å; V308-S339 PolarHBondContact N-OG 3.06Å; D335-S339 PolarHBondContact O-N 3Å; L336-S339 PolarHBondContact O-N 2.87Å; S339-V342 PolarHBondContact O-N 3.4Å; S339-H343 WeakPolarHBondContact O-CB 3.35Å; S339-H343 PolarHBondContact O-N 3.35Å
340S97.4Very high94.8Very high6 Ų640 Ų404%0.04221%0.214CC..Hα-helixtrans-65.6-39.5174.9-60.10000112.2L336 A337 Y338 V342 H343 Q344L336-S340 WeakPolarHBondContact O-CB 3.25Å; L336-S340 PolarHBondContact O-N 2.98Å; L336-S340 PolarHBondContact O-OG 3.22Å; A337-S340 PolarHBondContact O-N 3.39Å; Y338-S340 VanDerWaalsContact C-N 3.32Å; Y338-S340 PolarHBondContact O-N 2.99Å; S340-V342 VanDerWaalsContact C-N 3.34Å; S340-V342 PolarHBondContact O-N 2.86Å; S340-H343 PolarHBondContact O-N 2.84Å; S340-Q344 VanDerWaalsContact O-CB 3.24Å; S340-Q344 WeakPolarHBondContact O-CB 3.44Å; S340-Q344 VanDerWaalsContact O-CG 3.23Å; S340-Q344 WeakPolarHBondContact O-CG 3.49Å; S340-Q344 PolarHBondContact O-N 2.79Å
341Y96.9Very high94.7Very high11 Ų1145.8 Ų45.84%0.04325%0.245CC..Hα-helixtrans-57.7-48174.4164.7-101.9000111.1A337 Y338 H343 Q344 Y345 F350 L384 I385 E388A337-Y341 WeakPolarHBondContact O-CB 3.44Å; A337-Y341 PolarHBondContact O-N 3.45Å; Y338-Y341 HydrophobicContact CD2-CD1 4.24Å; Y338-Y341 HydrophobicContact CE2-CD1 4.18Å; Y338-Y341 WeakPolarHBondContact O-CB 3.36Å; Y338-Y341 PolarHBondContact O-N 2.82Å; Y341-H343 VanDerWaalsContact C-N 3.34Å; Y341-H343 PolarHBondContact O-N 2.63Å; Y341-Q344 PolarHBondContact O-N 2.9Å; Y341-Y345 HydrophobicContact CE2-CD2 4.42Å; Y341-Y345 PolarHBondContact O-N 2.98Å; Y341-F350 AromaticContact CD2-CD1 3.86Å; Y341-F350 HydrophobicContact CD2-CD1 3.86Å; Y341-F350 AromaticContact CD2-CE1 3.72Å; Y341-F350 HydrophobicContact CD2-CE1 3.72Å; Y341-F350 HydrophobicContact CE2-CD1 4.41Å; Y341-F350 AromaticContact CE2-CE1 3.93Å; Y341-F350 HydrophobicContact CE2-CE1 3.93Å; Y341-F350 HydrophobicContact CE2-CZ 4.49Å; Y341-L384 HydrophobicContact CE1-CB 4.47Å; Y341-L384 HydrophobicContact CE1-CD1 4.4Å; Y341-L384 HydrophobicContact CE2-CB 4.23Å; Y341-I385 HydrophobicContact CD2-CG1 3.58Å; Y341-I385 HydrophobicContact CE2-CG1 4.34Å; Y341-I385 HydrophobicContact CG-CG1 4.18Å; Y341-E388 HydrophobicContact CE2-CG 3.67Å; Y341-E388 PolarHBondContact OH-OE1 3.48Å; Y341-E388 VanDerWaalsContact OH-OE1 3.06Å
342V93.6Very high94.7Very high46 Ų4648.7 Ų48.728%0.27926%0.257SS..Hα-helixtrans-63.7-41177.5179.70000111.1I304 Y338 S339 S340 Y345I304-V342 HydrophobicContact CD1-CG1 3.77Å; I304-V342 HydrophobicContact CG1-CG1 4.06Å; I304-V342 HydrophobicContact CG2-CB 4.24Å; I304-V342 HydrophobicContact CG2-CG1 4.04Å; Y338-V342 HydrophobicContact CE1-CG2 4.37Å; Y338-V342 HydrophobicContact CE2-CG2 4.27Å; Y338-V342 WeakPolarHBondContact O-CG2 3.37Å; Y338-V342 PolarHBondContact O-N 3.33Å; Y338-V342 VanDerWaalsContact O-N 3.08Å; S339-V342 PolarHBondContact O-N 3.4Å; S340-V342 VanDerWaalsContact C-N 3.34Å; S340-V342 PolarHBondContact O-N 2.86Å; V342-Y345 WeakPolarHBondContact O-CB 3.41Å
343H92.4Very high94.6Very high84 Ų8448.7 Ų48.739%0.38926%0.257SS..Hα-helixtrans-63.9-40.7177.2-176.453.4000112.9I304 C305 V308 S339 S340 Y341 Y345I304-H343 HydrophobicContact CG2-CB 3.73Å; C305-H343 VanDerWaalsContact SG-CE1 3.54Å; V308-H343 HydrophobicContact CG2-CB 3.91Å; S339-H343 WeakPolarHBondContact O-CB 3.35Å; S339-H343 PolarHBondContact O-N 3.35Å; S340-H343 PolarHBondContact O-N 2.84Å; Y341-H343 VanDerWaalsContact C-N 3.34Å; Y341-H343 PolarHBondContact O-N 2.63Å; H343-Y345 VanDerWaalsContact C-N 3.35Å
344Q93.7Very high94.6Very high19 Ų1950.1 Ų50.19%0.08927%0.265CS..Hα-helixtrans-84.5-11.1-173.6-70.7179.2-44.800113.3S340 Y341 S346 S347 G348 K349 F350 A353S340-Q344 VanDerWaalsContact O-CB 3.24Å; S340-Q344 WeakPolarHBondContact O-CB 3.44Å; S340-Q344 VanDerWaalsContact O-CG 3.23Å; S340-Q344 WeakPolarHBondContact O-CG 3.49Å; S340-Q344 PolarHBondContact O-N 2.79Å; Y341-Q344 PolarHBondContact O-N 2.9Å; Q344-S346 VanDerWaalsContact C-N 3.35Å; Q344-S346 PolarHBondContact O-N 3.45Å; Q344-S347 WeakPolarHBondContact O-CA 2.91Å; Q344-S347 PolarHBondContact O-N 2.71Å; Q344-S347 PolarHBondContact O-OG 3.36Å; Q344-G348 PolarHBondContact O-N 3.39Å; Q344-G348 VanDerWaalsContact O-N 3.08Å; Q344-K349 VanDerWaalsContact CB-O 3.32Å; Q344-K349 WeakPolarHBondContact CB-O 3.44Å; Q344-K349 WeakPolarHBondContact CG-O 3.27Å; Q344-K349 PolarHBondContact NE2-O 2.86Å; Q344-K349 PolarHBondContact OE1-O 3.47Å; Q344-F350 HydrophobicContact CB-CD1 3.97Å; Q344-F350 HydrophobicContact CB-CE1 4.29Å; Q344-A353 VanDerWaalsContact OE1-N 3.1Å
345Y88.9Confident94.6Very high100 Ų10053.4 Ų53.439%0.39228%0.279SS..G310 helixtrans-50.2-49.4-177-165-93.1000113.1Y341 V342 H343 S347 G348 F350 E388Y341-Y345 HydrophobicContact CE2-CD2 4.42Å; Y341-Y345 PolarHBondContact O-N 2.98Å; V342-Y345 WeakPolarHBondContact O-CB 3.41Å; H343-Y345 VanDerWaalsContact C-N 3.35Å; Y345-S347 PolarHBondContact O-N 2.99Å; Y345-G348 PolarHBondContact O-N 3.31Å; Y345-F350 HydrophobicContact CD2-CZ 4.45Å; Y345-E388 HydrophobicContact CE2-CG 4.22Å; Y345-E388 WeakPolarHBondContact CE2-OE1 3.32Å
346S83.3Confident94.7Very high118 Ų11851.7 Ų51.783%0.82527%0.27SS*.G310 helixtrans-69-20-179.561.90000114Q344Q344-S346 VanDerWaalsContact C-N 3.35Å; Q344-S346 PolarHBondContact O-N 3.45Å
347S87.8Confident94.7Very high64 Ų6451.7 Ų51.745%0.44827%0.27SS..G310 helixtrans-94-18.1-178.774.60000113.8Q344 Y345 K349Q344-S347 WeakPolarHBondContact O-CA 2.91Å; Q344-S347 PolarHBondContact O-N 2.71Å; Q344-S347 PolarHBondContact O-OG 3.36Å; Y345-S347 PolarHBondContact O-N 2.99Å; S347-K349 PolarHBondContact O-N 2.97Å; S347-K349 PolarHBondContact OG-N 3.24Å
348G89.1Confident94.7Very high27 Ų2755.8 Ų55.828%0.27829%0.289SS..THydrogen-bonded Turntrans67.82.2-171.600000115Q344 Y345 F350Q344-G348 PolarHBondContact O-N 3.39Å; Q344-G348 VanDerWaalsContact O-N 3.08Å; Y345-G348 PolarHBondContact O-N 3.31Å; G348-F350 WeakPolarHBondContact O-CD2 3.46Å
349K92.4Very high94.7Very high145 Ų14557.3 Ų57.363%0.6329%0.294SS*.  trans-101.791.2-174.5-64.9180-176179.10111.6Q344 S347 D351Q344-K349 VanDerWaalsContact CB-O 3.32Å; Q344-K349 WeakPolarHBondContact CB-O 3.44Å; Q344-K349 WeakPolarHBondContact CG-O 3.27Å; Q344-K349 PolarHBondContact NE2-O 2.86Å; Q344-K349 PolarHBondContact OE1-O 3.47Å; S347-K349 PolarHBondContact O-N 2.97Å; S347-K349 PolarHBondContact OG-N 3.24Å; K349-D351 PolarHBondContact O-N 3.07Å
350F96Very high94.7Very high9 Ų957.3 Ų57.34%0.03929%0.294CS..  trans-93.417.2-171.5-58.3-76.4000115.6Y341 Q344 Y345 G348 N352 A353 L354 I385 E388 I389Y341-F350 AromaticContact CD2-CD1 3.86Å; Y341-F350 HydrophobicContact CD2-CD1 3.86Å; Y341-F350 AromaticContact CD2-CE1 3.72Å; Y341-F350 HydrophobicContact CD2-CE1 3.72Å; Y341-F350 HydrophobicContact CE2-CD1 4.41Å; Y341-F350 AromaticContact CE2-CE1 3.93Å; Y341-F350 HydrophobicContact CE2-CE1 3.93Å; Y341-F350 HydrophobicContact CE2-CZ 4.49Å; Q344-F350 HydrophobicContact CB-CD1 3.97Å; Q344-F350 HydrophobicContact CB-CE1 4.29Å; Y345-F350 HydrophobicContact CD2-CZ 4.45Å; G348-F350 WeakPolarHBondContact O-CD2 3.46Å; F350-N352 PolarHBondContact O-N 3.07Å; F350-A353 PolarHBondContact O-N 2.8Å; F350-L354 WeakPolarHBondContact O-CB 3.4Å; F350-L354 PolarHBondContact O-N 2.8Å; F350-I385 HydrophobicContact CB-CG2 3.61Å; F350-I385 HydrophobicContact CG-CG2 4.21Å; F350-E388 HydrophobicContact CD2-CB 4.11Å; F350-E388 HydrophobicContact CE1-CG 4.48Å; F350-E388 HydrophobicContact CE2-CB 3.37Å; F350-E388 HydrophobicContact CE2-CG 4.12Å; F350-E388 HydrophobicContact CZ-CB 3.62Å; F350-E388 HydrophobicContact CZ-CG 3.82Å; F350-I389 HydrophobicContact CB-CD1 4.29Å; F350-I389 HydrophobicContact CB-CG1 4.35Å; F350-I389 HydrophobicContact CD2-CG1 3.94Å
351D95.6Very high94.8Very high122 Ų12258.2 Ų58.265%0.65230%0.298SS*.Hα-helixtrans-56.3-47.2-173.1-59.3-65.5000113.1K349 F355K349-D351 PolarHBondContact O-N 3.07Å; D351-F355 WeakPolarHBondContact O-CB 3.43Å; D351-F355 PolarHBondContact O-N 3.07Å
352N96.1Very high94.8Very high97 Ų9761.5 Ų61.552%0.51932%0.317SS..Hα-helixtrans-67.5-45.4179.3-67.2-26.2000111.7F350 L354 F355 H356F350-N352 PolarHBondContact O-N 3.07Å; N352-L354 VanDerWaalsContact C-N 3.32Å; N352-L354 PolarHBondContact O-N 2.89Å; N352-F355 PolarHBondContact O-N 2.75Å; N352-H356 PolarHBondContact O-CD2 3.47Å; N352-H356 PolarHBondContact O-N 3.25Å
353A98Very high94.9Very high0 Ų059.6 Ų59.60%031%0.305CS..Hα-helixtrans-58.8-45.4177.300000111.4Q344 F350 H356 A357 I385Q344-A353 VanDerWaalsContact OE1-N 3.1Å; F350-A353 PolarHBondContact O-N 2.8Å; A353-H356 PolarHBondContact O-N 3.16Å; A353-A357 WeakPolarHBondContact O-CB 3.28Å; A353-A357 PolarHBondContact O-N 3.18Å; A353-I385 HydrophobicContact CB-CD1 3.72Å; A353-I385 HydrophobicContact CB-CG1 4.18Å
354L98.2Very high95.1Very high35 Ų3555.7 Ų55.718%0.18329%0.287CS..Hα-helixtrans-64.8-46.6178.8-174.958.8000111.3F350 N352 H356 A357 E358 K382 I385 L386 I389F350-L354 WeakPolarHBondContact O-CB 3.4Å; F350-L354 PolarHBondContact O-N 2.8Å; N352-L354 VanDerWaalsContact C-N 3.32Å; N352-L354 PolarHBondContact O-N 2.89Å; L354-H356 VanDerWaalsContact C-N 3.31Å; L354-H356 PolarHBondContact O-N 3.06Å; L354-A357 PolarHBondContact O-N 3.35Å; L354-E358 HydrophobicContact CD1-CG 4.09Å; L354-E358 HydrophobicContact CG-CG 4.41Å; L354-E358 WeakPolarHBondContact O-CG 3.44Å; L354-E358 PolarHBondContact O-N 3.15Å; L354-K382 HydrophobicContact CD1-CG 4.15Å; L354-I385 HydrophobicContact CB-CG2 3.99Å; L354-I385 HydrophobicContact CD1-CG2 4.16Å; L354-L386 HydrophobicContact CD1-CD2 4.29Å; L354-I389 HydrophobicContact CD2-CD1 4.13Å
355F98.2Very high95.2Very high100 Ų10057.7 Ų57.744%0.43930%0.3SS..Hα-helixtrans-52.8-49.4176.6170.1-99.2000111.6D351 N352 E358 R359D351-F355 WeakPolarHBondContact O-CB 3.43Å; D351-F355 PolarHBondContact O-N 3.07Å; N352-F355 PolarHBondContact O-N 2.75Å; F355-E358 PolarHBondContact O-N 3.48Å; F355-R359 HydrophobicContact CD1-CG 4.49Å; F355-R359 HydrophobicContact CD2-CG 4.35Å; F355-R359 HydrophobicContact CE1-CG 4.12Å; F355-R359 HydrophobicContact CE2-CG 3.96Å; F355-R359 HydrophobicContact CZ-CG 3.84Å; F355-R359 WeakPolarHBondContact O-CB 3.39Å; F355-R359 VanDerWaalsContact O-CG 3.23Å; F355-R359 WeakPolarHBondContact O-CG 3.3Å; F355-R359 PolarHBondContact O-N 2.98Å
356H98.5Very high95.4Very high14 Ų1458.1 Ų58.17%0.06531%0.305CS..Hα-helixtrans-69.4-39.3-179.4-68.9-51.8000112.7H333 L336 A337 N352 A353 L354 E358 R359 A360H333-H356 AromaticContact CE1-ND1 3.56Å; H333-H356 AromaticContact ND1-CE1 3.92Å; H333-H356 AromaticContact ND1-CG 3.92Å; H333-H356 AromaticContact ND1-ND1 3.03Å; H333-H356 PolarHBondContact ND1-ND1 2.87Å; L336-H356 VanDerWaalsContact CD2-NE2 3.32Å; L336-H356 WeakPolarHBondContact CD2-NE2 3.38Å; A337-H356 HydrophobicContact CB-CB 3.71Å; N352-H356 PolarHBondContact O-CD2 3.47Å; N352-H356 PolarHBondContact O-N 3.25Å; A353-H356 PolarHBondContact O-N 3.16Å; L354-H356 VanDerWaalsContact C-N 3.31Å; L354-H356 PolarHBondContact O-N 3.06Å; H356-E358 VanDerWaalsContact C-N 3.33Å; H356-E358 PolarHBondContact O-N 3.49Å; H356-R359 PolarHBondContact O-N 3.43Å; H356-A360 PolarHBondContact O-N 2.99Å
357A98.5Very high95.8Very high1 Ų154.6 Ų54.61%0.00828%0.277CS..Hα-helixtrans-61.4-43176.200000111.5A337 A353 L354 A360 I361 V381 K382 I385A337-A357 HydrophobicContact CB-CB 3.98Å; A353-A357 WeakPolarHBondContact O-CB 3.28Å; A353-A357 PolarHBondContact O-N 3.18Å; L354-A357 PolarHBondContact O-N 3.35Å; A357-A360 PolarHBondContact O-N 2.94Å; A357-I361 WeakPolarHBondContact O-CG1 3.27Å; A357-I361 PolarHBondContact O-N 2.96Å; A357-I361 VanDerWaalsContact O-N 3.11Å; A357-V381 HydrophobicContact CB-CG1 4.35Å; A357-K382 HydrophobicContact CB-CB 4.07Å; A357-I385 HydrophobicContact CB-CD1 4.08Å
358E98.3Very high96.1Very high85 Ų8553 Ų5340%0.39726%0.263SS..Hα-helixtrans-67.9-40.4177.8-70-170.7146.200112.4L354 F355 H356 I361 D362 K382L354-E358 HydrophobicContact CD1-CG 4.09Å; L354-E358 HydrophobicContact CG-CG 4.41Å; L354-E358 WeakPolarHBondContact O-CG 3.44Å; L354-E358 PolarHBondContact O-N 3.15Å; F355-E358 PolarHBondContact O-N 3.48Å; H356-E358 VanDerWaalsContact C-N 3.33Å; H356-E358 PolarHBondContact O-N 3.49Å; E358-I361 PolarHBondContact O-N 3.41Å; E358-D362 VanDerWaalsContact O-CB 3.32Å; E358-D362 WeakPolarHBondContact O-CB 3.48Å; E358-D362 PolarHBondContact O-N 3.43Å; E358-K382 HydrophobicContact CG-CD 4.09Å; E358-K382 IonicContact OE1-NZ 3.06Å; E358-K382 PolarHBondContact OE1-NZ 3.35Å
359R98.2Very high96.3Very high120 Ų12055.4 Ų55.445%0.45327%0.274SS..Hα-helixtrans-61.6-43174.3-72.1-68.6132.1168.7-1.2111.9F355 H356 D362 I363F355-R359 HydrophobicContact CD1-CG 4.49Å; F355-R359 HydrophobicContact CD2-CG 4.35Å; F355-R359 HydrophobicContact CE1-CG 4.12Å; F355-R359 HydrophobicContact CE2-CG 3.96Å; F355-R359 HydrophobicContact CZ-CG 3.84Å; F355-R359 WeakPolarHBondContact O-CB 3.39Å; F355-R359 VanDerWaalsContact O-CG 3.23Å; F355-R359 WeakPolarHBondContact O-CG 3.3Å; F355-R359 PolarHBondContact O-N 2.98Å; H356-R359 PolarHBondContact O-N 3.43Å; R359-D362 PolarHBondContact O-N 3.13Å; R359-I363 WeakPolarHBondContact O-CB 3.48Å; R359-I363 WeakPolarHBondContact O-CD1 3.5Å; R359-I363 WeakPolarHBondContact O-CG1 3.36Å; R359-I363 PolarHBondContact O-N 3.23Å
360A98.3Very high96.2Very high0 Ų056.2 Ų56.20%028%0.28CS..Hα-helixtrans-59.6-48.7176.400000111.2H333 E334 H356 A357 I363 I364 S378H333-A360 HydrophobicContact CB-CB 3.89Å; E334-A360 HydrophobicContact CB-CB 4.22Å; H356-A360 PolarHBondContact O-N 2.99Å; A357-A360 PolarHBondContact O-N 2.94Å; A360-I363 PolarHBondContact O-N 3.38Å; A360-I364 WeakPolarHBondContact O-CB 3.4Å; A360-I364 WeakPolarHBondContact O-CD1 3.48Å; A360-I364 WeakPolarHBondContact O-CG1 3.5Å; A360-I364 PolarHBondContact O-N 3.28Å; A360-S378 WeakPolarHBondContact CB-OG 3.4Å
361I97.9Very high95.9Very high26 Ų2660 Ų6013%0.13330%0.3CS..Hα-helixtrans-61.3-49.6178.3-65.7170.1000111A357 E358 I363 I364 T365 L375 K379 K382A357-I361 WeakPolarHBondContact O-CG1 3.27Å; A357-I361 PolarHBondContact O-N 2.96Å; A357-I361 VanDerWaalsContact O-N 3.11Å; E358-I361 PolarHBondContact O-N 3.41Å; I361-I363 PolarHBondContact O-N 2.92Å; I361-I364 PolarHBondContact O-N 3.11Å; I361-T365 HydrophobicContact CG2-CG2 4.13Å; I361-T365 WeakPolarHBondContact O-CG2 3.36Å; I361-T365 PolarHBondContact O-N 3.4Å; I361-T365 PolarHBondContact O-OG1 3.05Å; I361-T365 VanDerWaalsContact O-OG1 3.04Å; I361-L375 HydrophobicContact CG2-CD2 4.31Å; I361-K379 HydrophobicContact CD1-CG 4.19Å; I361-K379 HydrophobicContact CG1-CG 4.5Å; I361-K382 HydrophobicContact CD1-CB 3.94Å; I361-K382 HydrophobicContact CD1-CD 3.85Å; I361-K382 HydrophobicContact CD1-CG 4.49Å
362D97.3Very high95.9Very high80 Ų8055.3 Ų55.343%0.42828%0.275SS..Hα-helixtrans-58.3-44.6-179.4178.761.4000112.2E358 R359 T365 H366E358-D362 VanDerWaalsContact O-CB 3.32Å; E358-D362 WeakPolarHBondContact O-CB 3.48Å; E358-D362 PolarHBondContact O-N 3.43Å; R359-D362 PolarHBondContact O-N 3.13Å; D362-T365 PolarHBondContact O-OG1 2.71Å; D362-H366 WeakPolarHBondContact O-CB 3.22Å; D362-H366 PolarHBondContact O-N 3.48Å
363I96.6Very high95.9Very high6 Ų651.9 Ų51.93%0.03126%0.256CS..Hα-helixtrans-63.4-50.8176.6-65.5162000109.7G324 V329 A330 R359 A360 I361 T365 H366 I367G324-I363 WeakPolarHBondContact O-CD1 3.38Å; V329-I363 HydrophobicContact CG1-CD1 4.05Å; A330-I363 HydrophobicContact CB-CB 4Å; A330-I363 HydrophobicContact CB-CG2 3.79Å; R359-I363 WeakPolarHBondContact O-CB 3.48Å; R359-I363 WeakPolarHBondContact O-CD1 3.5Å; R359-I363 WeakPolarHBondContact O-CG1 3.36Å; R359-I363 PolarHBondContact O-N 3.23Å; A360-I363 PolarHBondContact O-N 3.38Å; I361-I363 PolarHBondContact O-N 2.92Å; I363-T365 PolarHBondContact O-N 3.01Å; I363-H366 WeakPolarHBondContact O-CB 3.42Å; I363-H366 PolarHBondContact O-N 2.98Å; I363-H366 VanDerWaalsContact O-N 3.15Å; I363-I367 HydrophobicContact CG2-CD1 4.26Å; I363-I367 WeakPolarHBondContact O-CG1 3.32Å; I363-I367 PolarHBondContact O-N 3.41Å
364I96.8Very high95.8Very high2 Ų253.5 Ų53.51%0.0127%0.265CS..Hα-helixtrans-61.9-46.5-175.2-65.2162.6000111A330 A360 I361 H366 I367 L368 L374 L375A330-I364 HydrophobicContact CB-CD1 4.14Å; A330-I364 HydrophobicContact CB-CG1 3.65Å; A360-I364 WeakPolarHBondContact O-CB 3.4Å; A360-I364 WeakPolarHBondContact O-CD1 3.48Å; A360-I364 WeakPolarHBondContact O-CG1 3.5Å; A360-I364 PolarHBondContact O-N 3.28Å; I361-I364 PolarHBondContact O-N 3.11Å; I364-H366 PolarHBondContact O-N 3.02Å; I364-I367 PolarHBondContact O-N 3.42Å; I364-L368 HydrophobicContact CG2-CB 4.26Å; I364-L368 HydrophobicContact CG2-CD1 4.08Å; I364-L368 WeakPolarHBondContact O-CA 3.24Å; I364-L368 WeakPolarHBondContact O-CB 3.48Å; I364-L368 PolarHBondContact O-N 2.97Å; I364-L374 HydrophobicContact CD1-CB 4.27Å; I364-L374 HydrophobicContact CG2-CB 4.36Å; I364-L375 HydrophobicContact CB-CD2 3.7Å; I364-L375 HydrophobicContact CB-CG 4.32Å; I364-L375 HydrophobicContact CD1-CD2 4.45Å; I364-L375 HydrophobicContact CG2-CD1 4.31Å; I364-L375 HydrophobicContact CG2-CD2 3.47Å; I364-L375 VanDerWaalsContact CG2-CD2 3.47Å; I364-L375 HydrophobicContact CG2-CG 3.51Å
365T95.6Very high95.7Very high60 Ų6051.9 Ų51.937%0.36826%0.256SS..Hα-helixtrans-65.5-24.6179.155.50000112.7I361 D362 I363 L375I361-T365 HydrophobicContact CG2-CG2 4.13Å; I361-T365 WeakPolarHBondContact O-CG2 3.36Å; I361-T365 PolarHBondContact O-N 3.4Å; I361-T365 PolarHBondContact O-OG1 3.05Å; I361-T365 VanDerWaalsContact O-OG1 3.04Å; D362-T365 PolarHBondContact O-OG1 2.71Å; I363-T365 PolarHBondContact O-N 3.01Å; T365-L375 HydrophobicContact CG2-CD1 4.14Å; T365-L375 HydrophobicContact CG2-CD2 3.8Å
366H92.8Very high95.6Very high109 Ų10947.4 Ų47.451%0.50524%0.238SC..Hα-helixtrans-75-36.6176-167.575.1000113.2K325 D362 I363 I364K325-H366 PolarHBondContact NZ-CE1 3.27Å; K325-H366 PolarHBondContact NZ-NE2 3.19Å; D362-H366 WeakPolarHBondContact O-CB 3.22Å; D362-H366 PolarHBondContact O-N 3.48Å; I363-H366 WeakPolarHBondContact O-CB 3.42Å; I363-H366 PolarHBondContact O-N 2.98Å; I363-H366 VanDerWaalsContact O-N 3.15Å; I364-H366 PolarHBondContact O-N 3.02Å
367I92.1Very high95.4Very high45 Ų4548.3 Ų48.323%0.23125%0.246CC..Hα-helixtrans-105.5-17.9-172.565170.9000114.2I327 I363 I364I327-I367 HydrophobicContact CB-CD1 3.91Å; I363-I367 HydrophobicContact CG2-CD1 4.26Å; I363-I367 WeakPolarHBondContact O-CG1 3.32Å; I363-I367 PolarHBondContact O-N 3.41Å; I364-I367 PolarHBondContact O-N 3.42Å
368L93.3Very high95.2Very high30 Ų3048.3 Ų48.316%0.15725%0.245CC..SBendtrans-129.3158.8-176.2-69.8164.9000111.6I327 I364 H372 L374I327-L368 HydrophobicContact CD1-CD1 3.83Å; I327-L368 HydrophobicContact CG1-CD1 4.25Å; I364-L368 HydrophobicContact CG2-CB 4.26Å; I364-L368 HydrophobicContact CG2-CD1 4.08Å; I364-L368 WeakPolarHBondContact O-CA 3.24Å; I364-L368 WeakPolarHBondContact O-CB 3.48Å; I364-L368 PolarHBondContact O-N 2.97Å; L368-H372 HydrophobicContact CB-CB 4.06Å; L368-L374 HydrophobicContact CD1-CD1 3.85Å
369P93.2Very high95.2Very high78 Ų7845.7 Ų45.751%0.50623%0.233SC..  trans-57.8150.8175.7-24.134.5000113.2D371 H372P369-D371 PolarHBondContact O-N 3.44Å; P369-D371 VanDerWaalsContact O-N 3.12Å; P369-H372 WeakPolarHBondContact O-CB 3.43Å; P369-H372 PolarHBondContact O-N 3.3Å
370E90.1Very high95.2Very high162 Ų16241.5 Ų41.576%0.75722%0.217SC*.THydrogen-bonded Turntrans-62.3-21.1-178.8-64.8-174.6169.800114.3L375E370-L375 WeakPolarHBondContact O-CD1 3.33Å
371D91.1Very high95.1Very high87 Ų8741.5 Ų41.547%0.46522%0.217SC..THydrogen-bonded Turntrans-9915.2176.979.3-39.5000113.3P369 L416 K419P369-D371 PolarHBondContact O-N 3.44Å; P369-D371 VanDerWaalsContact O-N 3.12Å; D371-L416 VanDerWaalsContact C-CD2 3.49Å; D371-L416 HydrophobicContact CB-CD2 4.31Å; D371-L416 WeakPolarHBondContact O-CD2 3.48Å; D371-K419 IonicContact OD2-NZ 3.92Å; D371-K419 PolarHBondContact OD2-NZ 2.82Å
372H95.8Very high95.2Very high24 Ų2441.5 Ų41.511%0.11122%0.216CC..  trans-71.4136179-164.2-88.4000111.9N176 L368 P369 L374 L375N176-H372 PolarHBondContact OD1-NE2 3.22Å; L368-H372 HydrophobicContact CB-CB 4.06Å; P369-H372 WeakPolarHBondContact O-CB 3.43Å; P369-H372 PolarHBondContact O-N 3.3Å; H372-L374 PolarHBondContact ND1-N 3.45Å; H372-L374 PolarHBondContact O-N 3.1Å; H372-L374 VanDerWaalsContact O-N 3.14Å; H372-L375 WeakPolarHBondContact O-CB 3.36Å; H372-L375 PolarHBondContact O-N 3.04Å
373L96.3Very high95.2Very high26 Ų2637.7 Ų37.714%0.13620%0.196CC..THydrogen-bonded Turntrans-60-29.5-174.5-178.761.8000113.9C177 Y179 L375 A376 L416 A420 F421C177-L373 HydrophobicContact CB-CB 3.82Å; C177-L373 HydrophobicContact CB-CD2 3.79Å; C177-L373 HydrophobicContact CB-CG 4.32Å; Y179-L373 HydrophobicContact CD2-CD2 4.43Å; Y179-L373 HydrophobicContact CE2-CD2 3.54Å; L373-L375 PolarHBondContact O-N 3.41Å; L373-L375 VanDerWaalsContact O-N 3.11Å; L373-A376 HydrophobicContact CD1-CB 4.06Å; L373-A376 VanDerWaalsContact O-CB 3.22Å; L373-A376 WeakPolarHBondContact O-CB 3.33Å; L373-A376 PolarHBondContact O-N 3.35Å; L373-L416 HydrophobicContact CD1-CB 4.24Å; L373-A420 HydrophobicContact CD1-CB 3.66Å; L373-A420 HydrophobicContact CD2-CB 3.46Å; L373-A420 VanDerWaalsContact CD2-CB 3.46Å; L373-A420 HydrophobicContact CG-CB 4.1Å; L373-F421 HydrophobicContact CD1-CE2 4.17Å; L373-F421 HydrophobicContact CD2-CE1 4.45Å; L373-F421 HydrophobicContact CD2-CE2 4.07Å; L373-F421 HydrophobicContact CD2-CZ 3.77Å
374L94.9Very high95.2Very high34 Ų3437.8 Ų37.818%0.17820%0.196CC..Hα-helixtrans-58.6-23176.3-71.5173.6000113.3I327 I364 L368 H372 A376I327-L374 HydrophobicContact CD1-CD1 3.48Å; I327-L374 VanDerWaalsContact CD1-CD1 3.48Å; I327-L374 HydrophobicContact CG1-CD1 3.71Å; I364-L374 HydrophobicContact CD1-CB 4.27Å; I364-L374 HydrophobicContact CG2-CB 4.36Å; L368-L374 HydrophobicContact CD1-CD1 3.85Å; H372-L374 PolarHBondContact ND1-N 3.45Å; H372-L374 PolarHBondContact O-N 3.1Å; H372-L374 VanDerWaalsContact O-N 3.14Å; L374-A376 VanDerWaalsContact C-N 3.26Å; L374-A376 PolarHBondContact O-N 3.49Å
375L95.9Very high95.3Very high0 Ų037.7 Ų37.70%020%0.196CC..Hα-helixtrans-70.5-22.2174-72.1167.6000113I361 I364 T365 E370 H372 L373 S377 K379 L416I361-L375 HydrophobicContact CG2-CD2 4.31Å; I364-L375 HydrophobicContact CB-CD2 3.7Å; I364-L375 HydrophobicContact CB-CG 4.32Å; I364-L375 HydrophobicContact CD1-CD2 4.45Å; I364-L375 HydrophobicContact CG2-CD1 4.31Å; I364-L375 HydrophobicContact CG2-CD2 3.47Å; I364-L375 VanDerWaalsContact CG2-CD2 3.47Å; I364-L375 HydrophobicContact CG2-CG 3.51Å; T365-L375 HydrophobicContact CG2-CD1 4.14Å; T365-L375 HydrophobicContact CG2-CD2 3.8Å; E370-L375 WeakPolarHBondContact O-CD1 3.33Å; H372-L375 WeakPolarHBondContact O-CB 3.36Å; H372-L375 PolarHBondContact O-N 3.04Å; L373-L375 PolarHBondContact O-N 3.41Å; L373-L375 VanDerWaalsContact O-N 3.11Å; L375-S377 PolarHBondContact O-N 3.35Å; L375-K379 HydrophobicContact CB-CD 4.11Å; L375-K379 HydrophobicContact CB-CG 4.45Å; L375-K379 WeakPolarHBondContact O-CB 3.45Å; L375-K379 WeakPolarHBondContact O-CG 3.4Å; L375-K379 PolarHBondContact O-N 3.23Å; L375-L416 HydrophobicContact CB-CD1 3.98Å
376A96Very high95.4Very high6 Ų635.1 Ų35.15%0.0518%0.18CC..Hα-helixtrans-63.2-43.3-17100000112.7L373 L374 R380 S413 L416L373-A376 HydrophobicContact CD1-CB 4.06Å; L373-A376 VanDerWaalsContact O-CB 3.22Å; L373-A376 WeakPolarHBondContact O-CB 3.33Å; L373-A376 PolarHBondContact O-N 3.35Å; L374-A376 VanDerWaalsContact C-N 3.26Å; L374-A376 PolarHBondContact O-N 3.49Å; A376-R380 VanDerWaalsContact O-CB 3.27Å; A376-R380 WeakPolarHBondContact O-CB 3.35Å; A376-R380 PolarHBondContact O-N 3.27Å; A376-R380 VanDerWaalsContact O-N 3.13Å; A376-S413 VanDerWaalsContact O-CB 3.3Å; A376-S413 WeakPolarHBondContact O-CB 3.22Å; A376-S413 PolarHBondContact O-OG 2.93Å; A376-S413 VanDerWaalsContact O-OG 3.1Å; A376-L416 HydrophobicContact CB-CB 3.82Å; A376-L416 HydrophobicContact CB-CD1 4.02Å
377S94.3Very high95.6Very high34 Ų3430.1 Ų30.124%0.23816%0.157CC..Hα-helixtrans-77.8-45.6-178.4-178.60000111.4E334 L375 K379 R380 V381E334-S377 WeakPolarHBondContact OE1-CB 3.48Å; E334-S377 PolarHBondContact OE1-OG 3.06Å; L375-S377 PolarHBondContact O-N 3.35Å; S377-K379 PolarHBondContact O-N 2.86Å; S377-R380 WeakPolarHBondContact O-CB 3.28Å; S377-R380 PolarHBondContact O-N 3.42Å; S377-R380 VanDerWaalsContact O-N 3.14Å; S377-R380 PolarHBondContact OG-NH2 3.1Å; S377-V381 WeakPolarHBondContact O-CG2 3.43Å; S377-V381 PolarHBondContact O-N 3.31Å
378S94.5Very high95.8Very high0 Ų028.9 Ų28.90%015%0.15CC..Hα-helixtrans-55.4-45.7173.4-69.30000113.4E334 A360 V381 K382E334-S378 WeakPolarHBondContact CG-OG 3.42Å; E334-S378 PolarHBondContact OE2-N 2.94Å; E334-S378 PolarHBondContact OE2-OG 3.17Å; A360-S378 WeakPolarHBondContact CB-OG 3.4Å; S378-V381 PolarHBondContact O-N 2.9Å; S378-K382 PolarHBondContact O-N 2.96Å
379K97.7Very high95.9Very high30 Ų3030.1 Ų30.113%0.1316%0.156CC..Hα-helixtrans-63.7-41.7175.1-74.4176172.6175.60112.1I361 L375 S377 K382 A383 L409 S412 S413I361-K379 HydrophobicContact CD1-CG 4.19Å; I361-K379 HydrophobicContact CG1-CG 4.5Å; L375-K379 HydrophobicContact CB-CD 4.11Å; L375-K379 HydrophobicContact CB-CG 4.45Å; L375-K379 WeakPolarHBondContact O-CB 3.45Å; L375-K379 WeakPolarHBondContact O-CG 3.4Å; L375-K379 PolarHBondContact O-N 3.23Å; S377-K379 PolarHBondContact O-N 2.86Å; K379-K382 PolarHBondContact O-N 3.44Å; K379-A383 WeakPolarHBondContact O-CB 3.46Å; K379-A383 PolarHBondContact O-N 3Å; K379-L409 HydrophobicContact CB-CD2 4Å; K379-L409 HydrophobicContact CD-CD2 4.33Å; K379-L409 HydrophobicContact CG-CD2 3.84Å; K379-S412 PolarHBondContact NZ-OG 3.4Å; K379-S413 WeakPolarHBondContact CB-OG 3.45Å
380R97.9Very high96Very high32 Ų3226.4 Ų26.412%0.12113%0.132CC..Hα-helixtrans-61.2-42.7175.3177.6-167.75876.95.2111.8A376 S377 A383 L384 S413 N434A376-R380 VanDerWaalsContact O-CB 3.27Å; A376-R380 WeakPolarHBondContact O-CB 3.35Å; A376-R380 PolarHBondContact O-N 3.27Å; A376-R380 VanDerWaalsContact O-N 3.13Å; S377-R380 WeakPolarHBondContact O-CB 3.28Å; S377-R380 PolarHBondContact O-N 3.42Å; S377-R380 VanDerWaalsContact O-N 3.14Å; S377-R380 PolarHBondContact OG-NH2 3.1Å; R380-A383 PolarHBondContact O-N 2.92Å; R380-L384 WeakPolarHBondContact O-CG 3.44Å; R380-L384 PolarHBondContact O-N 3.44Å; R380-S413 PolarHBondContact N-OG 3.14Å; R380-N434 WeakPolarHBondContact CG-ND2 3.43Å
381V97.7Very high96Very high1 Ų122.8 Ų22.81%0.00612%0.117CC..Hα-helixtrans-65.4-45.6178172.90000110.6A337 Y338 A357 S377 S378 A383 L384 I385A337-V381 HydrophobicContact CB-CG1 3.95Å; Y338-V381 HydrophobicContact CD2-CG2 4.08Å; Y338-V381 HydrophobicContact CG-CG2 4.37Å; A357-V381 HydrophobicContact CB-CG1 4.35Å; S377-V381 WeakPolarHBondContact O-CG2 3.43Å; S377-V381 PolarHBondContact O-N 3.31Å; S378-V381 PolarHBondContact O-N 2.9Å; V381-A383 VanDerWaalsContact C-N 3.32Å; V381-A383 PolarHBondContact O-N 3.06Å; V381-L384 WeakPolarHBondContact O-CB 3.47Å; V381-L384 PolarHBondContact O-N 3.32Å; V381-I385 HydrophobicContact CG1-CD1 3.9Å; V381-I385 WeakPolarHBondContact O-CD1 3.16Å; V381-I385 WeakPolarHBondContact O-CG1 3.46Å; V381-I385 PolarHBondContact O-N 3Å; V381-I385 VanDerWaalsContact O-N 3.13Å
382K98.4Very high95.9Very high26 Ų2623.6 Ų23.611%0.11312%0.121CC..Hα-helixtrans-56.9-46.2173.9-176.7173.8173.9175.30111.5L354 A357 E358 I361 S378 K379 L384 I385 L386 E405 L409L354-K382 HydrophobicContact CD1-CG 4.15Å; A357-K382 HydrophobicContact CB-CB 4.07Å; E358-K382 HydrophobicContact CG-CD 4.09Å; E358-K382 IonicContact OE1-NZ 3.06Å; E358-K382 PolarHBondContact OE1-NZ 3.35Å; I361-K382 HydrophobicContact CD1-CB 3.94Å; I361-K382 HydrophobicContact CD1-CD 3.85Å; I361-K382 HydrophobicContact CD1-CG 4.49Å; S378-K382 PolarHBondContact O-N 2.96Å; K379-K382 PolarHBondContact O-N 3.44Å; K382-L384 PolarHBondContact O-N 3.31Å; K382-I385 WeakPolarHBondContact O-CB 3.11Å; K382-I385 PolarHBondContact O-N 2.82Å; K382-I385 VanDerWaalsContact O-N 3.14Å; K382-L386 HydrophobicContact CG-CD1 4.18Å; K382-L386 HydrophobicContact CG-CG 4.23Å; K382-L386 WeakPolarHBondContact O-CG 3.38Å; K382-L386 PolarHBondContact O-N 3.42Å; K382-E405 VanDerWaalsContact CE-OE1 3.26Å; K382-E405 WeakPolarHBondContact CE-OE1 3.46Å; K382-E405 IonicContact NZ-OE1 3.37Å; K382-E405 PolarHBondContact NZ-OE1 3.09Å; K382-L409 HydrophobicContact CB-CD1 4.21Å; K382-L409 HydrophobicContact CD-CD1 3.98Å; K382-L409 HydrophobicContact CG-CD1 3.9Å
383A98.4Very high95.6Very high0 Ų024 Ų240%013%0.127CC..Hα-helixtrans-59.8-42.817900000113.1K379 R380 V381 I385 L386 E387 A406 L409 H410K379-A383 WeakPolarHBondContact O-CB 3.46Å; K379-A383 PolarHBondContact O-N 3Å; R380-A383 PolarHBondContact O-N 2.92Å; V381-A383 VanDerWaalsContact C-N 3.32Å; V381-A383 PolarHBondContact O-N 3.06Å; A383-I385 VanDerWaalsContact C-N 3.3Å; A383-I385 PolarHBondContact O-N 3.11Å; A383-L386 PolarHBondContact O-N 2.8Å; A383-E387 WeakPolarHBondContact O-CB 3.23Å; A383-E387 PolarHBondContact O-N 3.18Å; A383-A406 HydrophobicContact CB-CB 4.22Å; A383-L409 HydrophobicContact CB-CB 3.78Å; A383-L409 HydrophobicContact CB-CD1 4.34Å; A383-H410 WeakPolarHBondContact CB-CE1 3.49Å; A383-H410 WeakPolarHBondContact CB-ND1 3.37Å
384L97.5Very high95.2Very high7 Ų732.1 Ų32.14%0.03716%0.163CC..Hα-helixtrans-58.2-42.9174-75.3172.2000111.9Y341 R380 V381 K382 E387 E388 N434Y341-L384 HydrophobicContact CE1-CB 4.47Å; Y341-L384 HydrophobicContact CE1-CD1 4.4Å; Y341-L384 HydrophobicContact CE2-CB 4.23Å; R380-L384 WeakPolarHBondContact O-CG 3.44Å; R380-L384 PolarHBondContact O-N 3.44Å; V381-L384 WeakPolarHBondContact O-CB 3.47Å; V381-L384 PolarHBondContact O-N 3.32Å; K382-L384 PolarHBondContact O-N 3.31Å; L384-E387 PolarHBondContact O-N 3.31Å; L384-E388 WeakPolarHBondContact O-CG 3.21Å; L384-E388 PolarHBondContact O-N 3.03Å; L384-N434 WeakPolarHBondContact CD2-ND2 3.2Å
385I98.1Very high95.2Very high0 Ų034.1 Ų34.10%017%0.174CC..Hα-helixtrans-66.7-45.1179.6-65.9157.1000110.9Y341 F350 A353 L354 A357 V381 K382 A383 E387 E388 I389Y341-I385 HydrophobicContact CD2-CG1 3.58Å; Y341-I385 HydrophobicContact CE2-CG1 4.34Å; Y341-I385 HydrophobicContact CG-CG1 4.18Å; F350-I385 HydrophobicContact CB-CG2 3.61Å; F350-I385 HydrophobicContact CG-CG2 4.21Å; A353-I385 HydrophobicContact CB-CD1 3.72Å; A353-I385 HydrophobicContact CB-CG1 4.18Å; L354-I385 HydrophobicContact CB-CG2 3.99Å; L354-I385 HydrophobicContact CD1-CG2 4.16Å; A357-I385 HydrophobicContact CB-CD1 4.08Å; V381-I385 HydrophobicContact CG1-CD1 3.9Å; V381-I385 WeakPolarHBondContact O-CD1 3.16Å; V381-I385 WeakPolarHBondContact O-CG1 3.46Å; V381-I385 PolarHBondContact O-N 3Å; V381-I385 VanDerWaalsContact O-N 3.13Å; K382-I385 WeakPolarHBondContact O-CB 3.11Å; K382-I385 PolarHBondContact O-N 2.82Å; K382-I385 VanDerWaalsContact O-N 3.14Å; A383-I385 VanDerWaalsContact C-N 3.3Å; A383-I385 PolarHBondContact O-N 3.11Å; I385-E387 VanDerWaalsContact C-N 3.28Å; I385-E387 PolarHBondContact O-N 3.16Å; I385-E388 PolarHBondContact O-N 3.06Å; I385-I389 HydrophobicContact CG2-CD1 3.68Å; I385-I389 HydrophobicContact CG2-CG1 4.36Å; I385-I389 VanDerWaalsContact O-CG1 3.29Å; I385-I389 WeakPolarHBondContact O-CG1 3.48Å; I385-I389 PolarHBondContact O-N 3.39Å
386L98.1Very high95Very high7 Ų741 Ų414%0.03720%0.204CC..Hα-helixtrans-62.9-36.2178.3-66178.8000112.2L354 K382 A383 I389 A390 L402 E405 A406 L409L354-L386 HydrophobicContact CD1-CD2 4.29Å; K382-L386 HydrophobicContact CG-CD1 4.18Å; K382-L386 HydrophobicContact CG-CG 4.23Å; K382-L386 WeakPolarHBondContact O-CG 3.38Å; K382-L386 PolarHBondContact O-N 3.42Å; A383-L386 PolarHBondContact O-N 2.8Å; L386-I389 PolarHBondContact O-N 2.96Å; L386-A390 VanDerWaalsContact O-CB 3.29Å; L386-A390 WeakPolarHBondContact O-CB 3.32Å; L386-A390 PolarHBondContact O-N 3.19Å; L386-L402 HydrophobicContact CD2-CD2 3.93Å; L386-E405 HydrophobicContact CD1-CB 4.01Å; L386-E405 VanDerWaalsContact CD1-CD 3.48Å; L386-E405 HydrophobicContact CD1-CG 3.6Å; L386-A406 HydrophobicContact CB-CB 4.17Å; L386-L409 HydrophobicContact CD1-CD1 3.83Å
387E96.3Very high94.9Very high3 Ų348.1 Ų48.11%0.01424%0.236CC..Hα-helixtrans-59.1-51.9174.2-174.4-172.117300111.1A383 L384 I385 I389 A390 I391 L403 R437 L438 S441A383-E387 WeakPolarHBondContact O-CB 3.23Å; A383-E387 PolarHBondContact O-N 3.18Å; L384-E387 PolarHBondContact O-N 3.31Å; I385-E387 VanDerWaalsContact C-N 3.28Å; I385-E387 PolarHBondContact O-N 3.16Å; E387-I389 PolarHBondContact O-N 2.97Å; E387-A390 WeakPolarHBondContact O-CB 3.44Å; E387-A390 PolarHBondContact O-N 3.42Å; E387-A390 VanDerWaalsContact O-N 3.16Å; E387-I391 HydrophobicContact CG-CD1 4.1Å; E387-I391 WeakPolarHBondContact O-CG1 3.41Å; E387-I391 PolarHBondContact O-N 3.13Å; E387-L403 HydrophobicContact CG-CD2 4.36Å; E387-R437 IonicContact OE2-NH2 3.54Å; E387-L438 HydrophobicContact CB-CD1 4.39Å; E387-L438 HydrophobicContact CG-CD1 4.08Å; E387-S441 PolarHBondContact OE1-OG 2.79Å
388E95.3Very high95Very high20 Ų2048.7 Ų48.79%0.09324%0.238CC..Hα-helixtrans-62.8-42.1179.1-57.6-59.5155.200112.1Y341 Y345 F350 L384 I385 A390 I391 D392 R437Y341-E388 HydrophobicContact CE2-CG 3.67Å; Y341-E388 PolarHBondContact OH-OE1 3.48Å; Y341-E388 VanDerWaalsContact OH-OE1 3.06Å; Y345-E388 HydrophobicContact CE2-CG 4.22Å; Y345-E388 WeakPolarHBondContact CE2-OE1 3.32Å; F350-E388 HydrophobicContact CD2-CB 4.11Å; F350-E388 HydrophobicContact CE1-CG 4.48Å; F350-E388 HydrophobicContact CE2-CB 3.37Å; F350-E388 HydrophobicContact CE2-CG 4.12Å; F350-E388 HydrophobicContact CZ-CB 3.62Å; F350-E388 HydrophobicContact CZ-CG 3.82Å; L384-E388 WeakPolarHBondContact O-CG 3.21Å; L384-E388 PolarHBondContact O-N 3.03Å; I385-E388 PolarHBondContact O-N 3.06Å; E388-A390 VanDerWaalsContact C-N 3.25Å; E388-A390 PolarHBondContact O-N 3.32Å; E388-I391 PolarHBondContact O-N 2.89Å; E388-D392 PolarHBondContact O-N 2.95Å; E388-R437 IonicContact OE1-CZ 3.33Å; E388-R437 IonicContact OE1-NH2 2.71Å; E388-R437 PolarHBondContact OE1-NH2 2.98Å
389I95.4Very high95.1Very high56 Ų5650.6 Ų50.629%0.28725%0.247SC..Hα-helixtrans-61.9-36.7176.6-65.4168.7000110.8F350 L354 I385 L386 E387 C393 L402F350-I389 HydrophobicContact CB-CD1 4.29Å; F350-I389 HydrophobicContact CB-CG1 4.35Å; F350-I389 HydrophobicContact CD2-CG1 3.94Å; L354-I389 HydrophobicContact CD2-CD1 4.13Å; I385-I389 HydrophobicContact CG2-CD1 3.68Å; I385-I389 HydrophobicContact CG2-CG1 4.36Å; I385-I389 VanDerWaalsContact O-CG1 3.29Å; I385-I389 WeakPolarHBondContact O-CG1 3.48Å; I385-I389 PolarHBondContact O-N 3.39Å; L386-I389 PolarHBondContact O-N 2.96Å; E387-I389 PolarHBondContact O-N 2.97Å; I389-C393 PolarHBondContact O-N 3.47Å; I389-L402 HydrophobicContact CG2-CD1 3.88Å
390A95.5Very high95Very high0 Ų054.3 Ų54.30%027%0.265CS..Hα-helixtrans-67.7-43177.900000111.8L386 E387 E388 D392 C393 E399 L402 L403L386-A390 VanDerWaalsContact O-CB 3.29Å; L386-A390 WeakPolarHBondContact O-CB 3.32Å; L386-A390 PolarHBondContact O-N 3.19Å; E387-A390 WeakPolarHBondContact O-CB 3.44Å; E387-A390 PolarHBondContact O-N 3.42Å; E387-A390 VanDerWaalsContact O-N 3.16Å; E388-A390 VanDerWaalsContact C-N 3.25Å; E388-A390 PolarHBondContact O-N 3.32Å; A390-D392 VanDerWaalsContact C-N 3.29Å; A390-D392 PolarHBondContact O-N 3.35Å; A390-C393 WeakPolarHBondContact O-CB 3.47Å; A390-C393 PolarHBondContact O-N 3.38Å; A390-E399 HydrophobicContact CB-CG 4.37Å; A390-L402 HydrophobicContact CB-CB 3.77Å; A390-L402 HydrophobicContact CB-CD1 4.28Å; A390-L403 HydrophobicContact CB-CD2 3.77Å; A390-L403 HydrophobicContact CB-CG 3.79Å
391I90.8Very high95Very high85 Ų8559.3 Ų59.344%0.43628%0.284SS..Hα-helixtrans-61.5-38.1-179.8-66.9164.2000111.5E387 E388 C393E387-I391 HydrophobicContact CG-CD1 4.1Å; E387-I391 WeakPolarHBondContact O-CG1 3.41Å; E387-I391 PolarHBondContact O-N 3.13Å; E388-I391 PolarHBondContact O-N 2.89Å; I391-C393 VanDerWaalsContact C-N 3.29Å; I391-C393 PolarHBondContact O-N 2.89Å
392D89.5Confident95Very high105 Ų10560 Ų6056%0.56129%0.287SS*.THydrogen-bonded Turntrans-82.6-3.1176.6-85.9-4.4000113.4E388 A390E388-D392 PolarHBondContact O-N 2.95Å; A390-D392 VanDerWaalsContact C-N 3.29Å; A390-D392 PolarHBondContact O-N 3.35Å
393C88.4Confident95Very high33 Ų3359 Ų5922%0.22328%0.284CS..  trans-76.5128.9-177.5-164.30000112I389 A390 I391 N395 E399I389-C393 PolarHBondContact O-N 3.47Å; A390-C393 WeakPolarHBondContact O-CB 3.47Å; A390-C393 PolarHBondContact O-N 3.38Å; I391-C393 VanDerWaalsContact C-N 3.29Å; I391-C393 PolarHBondContact O-N 2.89Å; C393-N395 VanDerWaalsContact C-N 3.29Å; C393-N395 PolarHBondContact O-N 3.31Å; C393-E399 HydrophobicContact CB-CB 4.4Å
394H87.8Confident95Very high196 Ų19663 Ų6391%0.90730%0.302SS*.SBendtrans-84.5-0.6176.2-56.4-39000114
395N94.9Very high95Very high76 Ų7665.5 Ų65.541%0.40631%0.314SS..  trans-112.8114.3-179.9179.1-60.3000110.2C393 E397 T398 E399C393-N395 VanDerWaalsContact C-N 3.29Å; C393-N395 PolarHBondContact O-N 3.31Å; N395-E397 PolarHBondContact O-N 2.91Å; N395-E397 WeakPolarHBondContact OD1-CB 3.34Å; N395-E397 PolarHBondContact OD1-N 3.24Å; N395-T398 PolarHBondContact O-N 3.17Å; N395-T398 VanDerWaalsContact O-N 3.15Å; N395-T398 PolarHBondContact OD1-N 3.47Å; N395-T398 PolarHBondContact OD1-OG1 3.3Å; N395-E399 WeakPolarHBondContact O-CB 3.36Å; N395-E399 PolarHBondContact O-N 3.43Å
396K92.3Very high95Very high144 Ų14465.5 Ų65.563%0.62631%0.314SS*.Hα-helixtrans-61.2-37.5-175.6-169.3178.7-179.9-1640114.1T398 E400K396-T398 VanDerWaalsContact C-N 3.33Å; K396-E400 WeakPolarHBondContact CE-OE1 3.48Å; K396-E400 IonicContact NZ-OE1 2.69Å; K396-E400 WeakPolarHBondContact O-CB 3.18Å; K396-E400 WeakPolarHBondContact O-CG 3.17Å; K396-E400 PolarHBondContact O-N 3Å
397E95.1Very high95.1Very high155 Ų15566.3 Ų66.372%0.72432%0.317SS*.Hα-helixtrans-67.2-38.7177.8-177.1-177.1179.400111.1N395 R401N395-E397 PolarHBondContact O-N 2.91Å; N395-E397 WeakPolarHBondContact OD1-CB 3.34Å; N395-E397 PolarHBondContact OD1-N 3.24Å; E397-R401 WeakPolarHBondContact O-CB 3.41Å; E397-R401 PolarHBondContact O-N 3.42Å
398T95.3Very high95.2Very high46 Ų4670.5 Ų70.528%0.28234%0.34SS..Hα-helixtrans-70.3-43.7176.7-57.40000111.3N395 K396 R401 L402N395-T398 PolarHBondContact O-N 3.17Å; N395-T398 VanDerWaalsContact O-N 3.15Å; N395-T398 PolarHBondContact OD1-N 3.47Å; N395-T398 PolarHBondContact OD1-OG1 3.3Å; K396-T398 VanDerWaalsContact C-N 3.33Å; T398-R401 PolarHBondContact O-N 3.05Å; T398-L402 HydrophobicContact CG2-CD1 3.92Å; T398-L402 HydrophobicContact CG2-CG 4.33Å; T398-L402 WeakPolarHBondContact O-CB 3.17Å; T398-L402 VanDerWaalsContact O-CG 3.25Å; T398-L402 WeakPolarHBondContact O-CG 3.47Å; T398-L402 PolarHBondContact O-N 2.78Å
399E96Very high95.3Very high40 Ų4070.9 Ų70.919%0.18734%0.342CS..Hα-helixtrans-53.7-55172.1178.1-170.2168.800110.6A390 C393 N395 R401 L402 L403A390-E399 HydrophobicContact CB-CG 4.37Å; C393-E399 HydrophobicContact CB-CB 4.4Å; N395-E399 WeakPolarHBondContact O-CB 3.36Å; N395-E399 PolarHBondContact O-N 3.43Å; E399-R401 VanDerWaalsContact C-N 3.33Å; E399-R401 PolarHBondContact O-N 3.44Å; E399-L402 PolarHBondContact O-N 2.97Å; E399-L403 HydrophobicContact CG-CD1 3.99Å; E399-L403 WeakPolarHBondContact O-CB 3.38Å; E399-L403 WeakPolarHBondContact O-CG 3.19Å; E399-L403 PolarHBondContact O-N 3.43Å
400E96Very high95.4Very high109 Ų10968.2 Ų68.251%0.50933%0.328SS..Hα-helixtrans-58.6-42.4-180-75.7176.3-176.300112.2K396 Q404K396-E400 WeakPolarHBondContact CE-OE1 3.48Å; K396-E400 IonicContact NZ-OE1 2.69Å; K396-E400 WeakPolarHBondContact O-CB 3.18Å; K396-E400 WeakPolarHBondContact O-CG 3.17Å; K396-E400 PolarHBondContact O-N 3Å; E400-Q404 WeakPolarHBondContact O-CB 3.07Å; E400-Q404 PolarHBondContact O-N 3.37Å
401R97.6Very high95.6Very high137 Ų13771.6 Ų71.652%0.51735%0.346SS..Hα-helixtrans-63.2-45.8177.1-175.1-174.162.472.52112.1E397 T398 E399 Q404 E405E397-R401 WeakPolarHBondContact O-CB 3.41Å; E397-R401 PolarHBondContact O-N 3.42Å; T398-R401 PolarHBondContact O-N 3.05Å; E399-R401 VanDerWaalsContact C-N 3.33Å; E399-R401 PolarHBondContact O-N 3.44Å; R401-Q404 PolarHBondContact O-N 3.48Å; R401-E405 IonicContact NH1-OE2 2.97Å; R401-E405 PolarHBondContact O-N 3.23Å
402L98.1Very high95.9Very high14 Ų1469.6 Ų69.67%0.07334%0.34CS..Hα-helixtrans-68-41.4-179.2-70.5172.6000111.6L386 I389 A390 T398 E399 Q404 E405 A406L386-L402 HydrophobicContact CD2-CD2 3.93Å; I389-L402 HydrophobicContact CG2-CD1 3.88Å; A390-L402 HydrophobicContact CB-CB 3.77Å; A390-L402 HydrophobicContact CB-CD1 4.28Å; T398-L402 HydrophobicContact CG2-CD1 3.92Å; T398-L402 HydrophobicContact CG2-CG 4.33Å; T398-L402 WeakPolarHBondContact O-CB 3.17Å; T398-L402 VanDerWaalsContact O-CG 3.25Å; T398-L402 WeakPolarHBondContact O-CG 3.47Å; T398-L402 PolarHBondContact O-N 2.78Å; E399-L402 PolarHBondContact O-N 2.97Å; L402-Q404 VanDerWaalsContact C-N 3.3Å; L402-Q404 PolarHBondContact O-N 3.36Å; L402-E405 PolarHBondContact O-N 3.18Å; L402-A406 WeakPolarHBondContact O-CB 3.37Å; L402-A406 PolarHBondContact O-N 2.93Å
403L98.3Very high96.3Very high7 Ų764.6 Ų64.64%0.03731%0.313CS..Hα-helixtrans-63.4-37174.6-68.9176.9000111.7E387 A390 E399 A406 H407 L438 M442E387-L403 HydrophobicContact CG-CD2 4.36Å; A390-L403 HydrophobicContact CB-CD2 3.77Å; A390-L403 HydrophobicContact CB-CG 3.79Å; E399-L403 HydrophobicContact CG-CD1 3.99Å; E399-L403 WeakPolarHBondContact O-CB 3.38Å; E399-L403 WeakPolarHBondContact O-CG 3.19Å; E399-L403 PolarHBondContact O-N 3.43Å; L403-A406 PolarHBondContact O-N 3.27Å; L403-H407 WeakPolarHBondContact O-CB 3.33Å; L403-H407 PolarHBondContact O-N 3.43Å; L403-L438 HydrophobicContact CD2-CD1 3.76Å; L403-M442 HydrophobicContact CB-CG 4.15Å; L403-M442 HydrophobicContact CD1-CG 4.19Å
404Q98.3Very high96.7Very high82 Ų8263.8 Ų63.838%0.38331%0.306SS..Hα-helixtrans-68.6-41.1174.9-170.156.755.500112E400 R401 L402 A406 H407 D408E400-Q404 WeakPolarHBondContact O-CB 3.07Å; E400-Q404 PolarHBondContact O-N 3.37Å; R401-Q404 PolarHBondContact O-N 3.48Å; L402-Q404 VanDerWaalsContact C-N 3.3Å; L402-Q404 PolarHBondContact O-N 3.36Å; Q404-A406 VanDerWaalsContact C-N 3.34Å; Q404-A406 PolarHBondContact O-N 3.2Å; Q404-H407 PolarHBondContact NE2-ND1 2.68Å; Q404-H407 WeakPolarHBondContact O-CB 3.37Å; Q404-H407 PolarHBondContact O-N 3.39Å; Q404-D408 PolarHBondContact NE2-OD1 3.4Å; Q404-D408 PolarHBondContact O-N 3.44Å
405E98.4Very high97.2Very high61 Ų6160.1 Ų60.129%0.28529%0.29SS..Hα-helixtrans-61.4-43.4173.5-174.1-179.3164.200111.2K382 L386 R401 L402 H407 D408 L409K382-E405 VanDerWaalsContact CE-OE1 3.26Å; K382-E405 WeakPolarHBondContact CE-OE1 3.46Å; K382-E405 IonicContact NZ-OE1 3.37Å; K382-E405 PolarHBondContact NZ-OE1 3.09Å; L386-E405 HydrophobicContact CD1-CB 4.01Å; L386-E405 VanDerWaalsContact CD1-CD 3.48Å; L386-E405 HydrophobicContact CD1-CG 3.6Å; R401-E405 IonicContact NH1-OE2 2.97Å; R401-E405 PolarHBondContact O-N 3.23Å; L402-E405 PolarHBondContact O-N 3.18Å; E405-H407 VanDerWaalsContact C-N 3.31Å; E405-H407 PolarHBondContact O-N 3.25Å; E405-D408 PolarHBondContact O-N 3.19Å; E405-L409 HydrophobicContact CG-CD1 4.19Å; E405-L409 WeakPolarHBondContact O-CB 3.5Å; E405-L409 VanDerWaalsContact O-CG 3.28Å; E405-L409 WeakPolarHBondContact O-CG 3.27Å; E405-L409 PolarHBondContact O-N 2.84Å
406A98.6Very high97.3Very high0 Ų057.2 Ų57.20%027%0.274CS..Hα-helixtrans-61.1-39174.600000112.1A383 L386 L402 L403 Q404 L409 H410 L438A383-A406 HydrophobicContact CB-CB 4.22Å; L386-A406 HydrophobicContact CB-CB 4.17Å; L402-A406 WeakPolarHBondContact O-CB 3.37Å; L402-A406 PolarHBondContact O-N 2.93Å; L403-A406 PolarHBondContact O-N 3.27Å; Q404-A406 VanDerWaalsContact C-N 3.34Å; Q404-A406 PolarHBondContact O-N 3.2Å; A406-L409 PolarHBondContact O-N 3.14Å; A406-H410 WeakPolarHBondContact O-CB 3.47Å; A406-H410 PolarHBondContact O-N 3.05Å; A406-L438 HydrophobicContact CB-CD1 3.88Å; A406-L438 HydrophobicContact CB-CD2 4.32Å
407H98.6Very high97.6Very high23 Ų2350.4 Ų50.411%0.10625%0.245CC..Hα-helixtrans-60.2-51.1176.5-175.9-106.9000112L403 Q404 E405 L409 H410 L411 L438 Y439L403-H407 WeakPolarHBondContact O-CB 3.33Å; L403-H407 PolarHBondContact O-N 3.43Å; Q404-H407 PolarHBondContact NE2-ND1 2.68Å; Q404-H407 WeakPolarHBondContact O-CB 3.37Å; Q404-H407 PolarHBondContact O-N 3.39Å; E405-H407 VanDerWaalsContact C-N 3.31Å; E405-H407 PolarHBondContact O-N 3.25Å; H407-L409 VanDerWaalsContact C-N 3.31Å; H407-L409 PolarHBondContact O-N 3.07Å; H407-H410 PolarHBondContact O-N 3.49Å; H407-L411 WeakPolarHBondContact CE1-CD1 3.29Å; H407-L411 WeakPolarHBondContact O-CG 3.45Å; H407-L411 PolarHBondContact O-N 3.36Å; H407-L438 HydrophobicContact CB-CD2 3.7Å; H407-Y439 AromaticContact CD2-CE1 3.48Å; H407-Y439 VanDerWaalsContact CD2-CE1 3.48Å; H407-Y439 WeakPolarHBondContact CD2-CE1 3.12Å; H407-Y439 AromaticContact NE2-CE1 3.4Å; H407-Y439 WeakPolarHBondContact NE2-CE1 3.17Å; H407-Y439 AromaticContact NE2-CZ 3.66Å; H407-Y439 PolarHBondContact NE2-OH 2.96Å; H407-Y439 VanDerWaalsContact NE2-OH 3.08Å
408D98.4Very high97.6Very high92 Ų9246.3 Ų46.349%0.49222%0.224SC..Hα-helixtrans-62.6-40.8-179.6-65.5-17.5000111.2Q404 E405 S412Q404-D408 PolarHBondContact NE2-OD1 3.4Å; Q404-D408 PolarHBondContact O-N 3.44Å; E405-D408 PolarHBondContact O-N 3.19Å; D408-S412 VanDerWaalsContact O-CB 3.27Å; D408-S412 WeakPolarHBondContact O-CB 3.43Å; D408-S412 PolarHBondContact O-N 3.29Å
409L98.4Very high97.7Very high27 Ų2750.8 Ų50.814%0.14124%0.24CC..Hα-helixtrans-65.3-43.5176-72.9171000112.3K379 K382 A383 L386 E405 A406 H407 S412 S413K379-L409 HydrophobicContact CB-CD2 4Å; K379-L409 HydrophobicContact CD-CD2 4.33Å; K379-L409 HydrophobicContact CG-CD2 3.84Å; K382-L409 HydrophobicContact CB-CD1 4.21Å; K382-L409 HydrophobicContact CD-CD1 3.98Å; K382-L409 HydrophobicContact CG-CD1 3.9Å; A383-L409 HydrophobicContact CB-CB 3.78Å; A383-L409 HydrophobicContact CB-CD1 4.34Å; L386-L409 HydrophobicContact CD1-CD1 3.83Å; E405-L409 HydrophobicContact CG-CD1 4.19Å; E405-L409 WeakPolarHBondContact O-CB 3.5Å; E405-L409 VanDerWaalsContact O-CG 3.28Å; E405-L409 WeakPolarHBondContact O-CG 3.27Å; E405-L409 PolarHBondContact O-N 2.84Å; A406-L409 PolarHBondContact O-N 3.14Å; H407-L409 VanDerWaalsContact C-N 3.31Å; H407-L409 PolarHBondContact O-N 3.07Å; L409-S412 PolarHBondContact O-N 3.01Å; L409-S413 WeakPolarHBondContact O-CB 3.43Å; L409-S413 PolarHBondContact O-N 3.46Å; L409-S413 PolarHBondContact O-OG 3.46Å
410H98.4Very high97.6Very high0 Ų051 Ų510%025%0.248CC..Hα-helixtrans-65.4-42.8176.5-84.2-28.4000112.4A383 A406 H407 S413 L414 L435A383-H410 WeakPolarHBondContact CB-CE1 3.49Å; A383-H410 WeakPolarHBondContact CB-ND1 3.37Å; A406-H410 WeakPolarHBondContact O-CB 3.47Å; A406-H410 PolarHBondContact O-N 3.05Å; H407-H410 PolarHBondContact O-N 3.49Å; H410-S413 PolarHBondContact O-N 3.45Å; H410-L414 WeakPolarHBondContact O-CB 3.4Å; H410-L414 PolarHBondContact O-N 3.02Å; H410-L435 HydrophobicContact CB-CD2 3.6Å; H410-L435 HydrophobicContact CB-CG 4.02Å
411L98.3Very high97.6Very high71 Ų7147.8 Ų47.837%0.37223%0.233SC..Hα-helixtrans-63.6-44.2175.2-74.4-175.6000112.1H407 S413 L414 Q415 L435H407-L411 WeakPolarHBondContact CE1-CD1 3.29Å; H407-L411 WeakPolarHBondContact O-CG 3.45Å; H407-L411 PolarHBondContact O-N 3.36Å; L411-S413 VanDerWaalsContact C-N 3.32Å; L411-S413 PolarHBondContact O-N 3.46Å; L411-L414 PolarHBondContact O-N 3.25Å; L411-Q415 WeakPolarHBondContact O-CB 3.44Å; L411-Q415 PolarHBondContact O-N 3.4Å; L411-L435 HydrophobicContact CD2-CD1 4.07Å; L411-L435 HydrophobicContact CD2-CD2 4.23Å; L411-L435 HydrophobicContact CG-CD2 4.48Å
412S97.6Very high97.5Very high43 Ų4342.7 Ų42.730%0.30122%0.223SC..Hα-helixtrans-58.2-46.1175-175.70000111.1K379 D408 L409 Q415 L416K379-S412 PolarHBondContact NZ-OG 3.4Å; D408-S412 VanDerWaalsContact O-CB 3.27Å; D408-S412 WeakPolarHBondContact O-CB 3.43Å; D408-S412 PolarHBondContact O-N 3.29Å; L409-S412 PolarHBondContact O-N 3.01Å; S412-Q415 PolarHBondContact O-N 3.25Å; S412-L416 WeakPolarHBondContact O-CG 3.37Å; S412-L416 PolarHBondContact O-N 2.94Å; S412-L416 VanDerWaalsContact O-N 3.1Å
413S97.4Very high97.4Very high0 Ų044.6 Ų44.60%023%0.231CC..Hα-helixtrans-64.1-43.7179.1-53.60000112.5A376 K379 R380 L409 H410 L411 Q415 L416 A417 H431A376-S413 VanDerWaalsContact O-CB 3.3Å; A376-S413 WeakPolarHBondContact O-CB 3.22Å; A376-S413 PolarHBondContact O-OG 2.93Å; A376-S413 VanDerWaalsContact O-OG 3.1Å; K379-S413 WeakPolarHBondContact CB-OG 3.45Å; R380-S413 PolarHBondContact N-OG 3.14Å; L409-S413 WeakPolarHBondContact O-CB 3.43Å; L409-S413 PolarHBondContact O-N 3.46Å; L409-S413 PolarHBondContact O-OG 3.46Å; H410-S413 PolarHBondContact O-N 3.45Å; L411-S413 VanDerWaalsContact C-N 3.32Å; L411-S413 PolarHBondContact O-N 3.46Å; S413-Q415 VanDerWaalsContact C-N 3.32Å; S413-Q415 PolarHBondContact O-N 3.06Å; S413-L416 PolarHBondContact O-N 3.15Å; S413-A417 PolarHBondContact O-N 3.04Å; S413-H431 VanDerWaalsContact CB-CE1 3.42Å; S413-H431 WeakPolarHBondContact CB-CE1 3.45Å
414L98Very high97.3Very high16 Ų1650.2 Ų50.28%0.08426%0.256CS..Hα-helixtrans-59.5-43.8175.5174.862.8000111.1H410 L411 L416 A417 K418 T428 H431 Y432 L435H410-L414 WeakPolarHBondContact O-CB 3.4Å; H410-L414 PolarHBondContact O-N 3.02Å; L411-L414 PolarHBondContact O-N 3.25Å; L414-L416 PolarHBondContact O-N 3.28Å; L414-A417 PolarHBondContact O-N 3.21Å; L414-K418 HydrophobicContact CD1-CD 3.96Å; L414-K418 HydrophobicContact CD1-CG 4.04Å; L414-K418 HydrophobicContact CG-CD 3.96Å; L414-K418 HydrophobicContact CG-CG 4.39Å; L414-K418 WeakPolarHBondContact O-CB 3.41Å; L414-K418 WeakPolarHBondContact O-CG 3.5Å; L414-K418 PolarHBondContact O-N 3.29Å; L414-T428 HydrophobicContact CD1-CG2 3.85Å; L414-H431 HydrophobicContact CB-CB 3.95Å; L414-H431 HydrophobicContact CD1-CB 3.78Å; L414-H431 HydrophobicContact CG-CB 4.44Å; L414-Y432 HydrophobicContact CD1-CD1 4.37Å; L414-Y432 HydrophobicContact CD1-CE1 4Å; L414-Y432 HydrophobicContact CD1-CE2 4.21Å; L414-Y432 HydrophobicContact CD2-CD1 4.1Å; L414-Y432 HydrophobicContact CD2-CE1 3.54Å; L414-Y432 HydrophobicContact CG-CE1 4.42Å; L414-L435 HydrophobicContact CD2-CD1 3.68Å
415Q97.9Very high97.3Very high120 Ų12046.8 Ų46.856%0.56124%0.24SC*.Hα-helixtrans-64.7-40.2-179.7-176.65917.200112L411 S412 S413 K419L411-Q415 WeakPolarHBondContact O-CB 3.44Å; L411-Q415 PolarHBondContact O-N 3.4Å; S412-Q415 PolarHBondContact O-N 3.25Å; S413-Q415 VanDerWaalsContact C-N 3.32Å; S413-Q415 PolarHBondContact O-N 3.06Å; Q415-K419 WeakPolarHBondContact O-CB 3.43Å; Q415-K419 PolarHBondContact O-N 3.3Å
416L97.4Very high97.2Very high14 Ų1444 Ų447%0.07323%0.227CC..Hα-helixtrans-61.9-47.7173.8-68.7174.4000111.6D371 L373 L375 A376 S412 S413 L414 K419 A420D371-L416 VanDerWaalsContact C-CD2 3.49Å; D371-L416 HydrophobicContact CB-CD2 4.31Å; D371-L416 WeakPolarHBondContact O-CD2 3.48Å; L373-L416 HydrophobicContact CD1-CB 4.24Å; L375-L416 HydrophobicContact CB-CD1 3.98Å; A376-L416 HydrophobicContact CB-CB 3.82Å; A376-L416 HydrophobicContact CB-CD1 4.02Å; S412-L416 WeakPolarHBondContact O-CG 3.37Å; S412-L416 PolarHBondContact O-N 2.94Å; S412-L416 VanDerWaalsContact O-N 3.1Å; S413-L416 PolarHBondContact O-N 3.15Å; L414-L416 PolarHBondContact O-N 3.28Å; L416-K419 PolarHBondContact O-N 3.03Å; L416-A420 WeakPolarHBondContact O-CB 3.41Å; L416-A420 PolarHBondContact O-N 2.84Å
417A96.9Very high97Very high1 Ų146.3 Ų46.31%0.00824%0.238CC..Hα-helixtrans-61.8-44.5177.800000111.9S413 L414 K419 A420 F421S413-A417 PolarHBondContact O-N 3.04Å; L414-A417 PolarHBondContact O-N 3.21Å; A417-K419 PolarHBondContact O-N 2.9Å; A417-A420 PolarHBondContact O-N 2.93Å; A417-F421 HydrophobicContact CB-CD2 4.27Å; A417-F421 WeakPolarHBondContact O-CB 3.49Å; A417-F421 WeakPolarHBondContact O-CD2 3.47Å; A417-F421 PolarHBondContact O-N 2.83Å
418K96.8Very high97Very high69 Ų6945.2 Ų45.230%0.323%0.233SC..Hα-helixtrans-60.8-42.3176-77.2178.459.2135.20112.6L414 A420 G422 E423 T428L414-K418 HydrophobicContact CD1-CD 3.96Å; L414-K418 HydrophobicContact CD1-CG 4.04Å; L414-K418 HydrophobicContact CG-CD 3.96Å; L414-K418 HydrophobicContact CG-CG 4.39Å; L414-K418 WeakPolarHBondContact O-CB 3.41Å; L414-K418 WeakPolarHBondContact O-CG 3.5Å; L414-K418 PolarHBondContact O-N 3.29Å; K418-A420 VanDerWaalsContact C-N 3.31Å; K418-A420 PolarHBondContact O-N 2.81Å; K418-G422 WeakPolarHBondContact O-CA 3.47Å; K418-G422 PolarHBondContact O-N 3.42Å; K418-E423 VanDerWaalsContact CE-OE2 3.28Å; K418-E423 WeakPolarHBondContact CE-OE2 3.41Å; K418-E423 IonicContact NZ-OE2 2.65Å; K418-E423 PolarHBondContact NZ-OE2 3.48Å; K418-T428 HydrophobicContact CG-CG2 3.68Å
419K95.6Very high97Very high140 Ų14040.8 Ų40.861%0.60921%0.209SC*.Hα-helixtrans-63.1-38.7176.8-179178.8176.5-179.20111.7D371 Q415 L416 A417D371-K419 IonicContact OD2-NZ 3.92Å; D371-K419 PolarHBondContact OD2-NZ 2.82Å; Q415-K419 WeakPolarHBondContact O-CB 3.43Å; Q415-K419 PolarHBondContact O-N 3.3Å; L416-K419 PolarHBondContact O-N 3.03Å; A417-K419 PolarHBondContact O-N 2.9Å
420A94.6Very high96.9Very high44 Ų4442 Ų4236%0.36421%0.213SC..Hα-helixtrans-82.8-39.6-176.500000114.2L373 L416 A417 K418L373-A420 HydrophobicContact CD1-CB 3.66Å; L373-A420 HydrophobicContact CD2-CB 3.46Å; L373-A420 VanDerWaalsContact CD2-CB 3.46Å; L373-A420 HydrophobicContact CG-CB 4.1Å; L416-A420 WeakPolarHBondContact O-CB 3.41Å; L416-A420 PolarHBondContact O-N 2.84Å; A417-A420 PolarHBondContact O-N 2.93Å; K418-A420 VanDerWaalsContact C-N 3.31Å; K418-A420 PolarHBondContact O-N 2.81Å
421F95.2Very high96.9Very high43 Ų4342.2 Ų42.219%0.18921%0.214CC..Hα-helixtrans-119.1-16.1-168.2-53.3-63.2000114.3Y179 A218 L373 A417 N425 Q427Y179-F421 HydrophobicContact CD2-CD1 4.45Å; Y179-F421 AromaticContact CD2-CE1 3.73Å; Y179-F421 HydrophobicContact CD2-CE1 3.73Å; Y179-F421 HydrophobicContact CD2-CZ 4.45Å; Y179-F421 HydrophobicContact CE2-CD1 4.49Å; Y179-F421 AromaticContact CE2-CE1 3.42Å; Y179-F421 HydrophobicContact CE2-CE1 3.42Å; Y179-F421 VanDerWaalsContact CE2-CE1 3.42Å; Y179-F421 AromaticContact CE2-CZ 3.73Å; Y179-F421 HydrophobicContact CE2-CZ 3.73Å; A218-F421 WeakPolarHBondContact O-CE1 3.23Å; L373-F421 HydrophobicContact CD1-CE2 4.17Å; L373-F421 HydrophobicContact CD2-CE1 4.45Å; L373-F421 HydrophobicContact CD2-CE2 4.07Å; L373-F421 HydrophobicContact CD2-CZ 3.77Å; A417-F421 HydrophobicContact CB-CD2 4.27Å; A417-F421 WeakPolarHBondContact O-CB 3.49Å; A417-F421 WeakPolarHBondContact O-CD2 3.47Å; A417-F421 PolarHBondContact O-N 2.83Å; F421-N425 HydrophobicContact CB-CB 3.65Å; F421-N425 VanDerWaalsContact CB-CG 3.48Å; F421-Q427 HydrophobicContact CD2-CB 4.14Å; F421-Q427 HydrophobicContact CE2-CB 4.1Å; F421-Q427 HydrophobicContact CE2-CG 4.22Å
422G96.4Very high96.9Very high29 Ų2939.4 Ų39.430%0.29920%0.199SC..  trans84.4-175.9-172.300000113.9K418 T428K418-G422 WeakPolarHBondContact O-CA 3.47Å; K418-G422 PolarHBondContact O-N 3.42Å; G422-T428 PolarHBondContact O-OG1 3.03Å
423E95.9Very high96.9Very high54 Ų5437.5 Ų37.525%0.25219%0.186SC..SBendtrans-70.7-46.3-176.7-170.172.1-175.100112.3K418 N425 Y432 K454K418-E423 VanDerWaalsContact CE-OE2 3.28Å; K418-E423 WeakPolarHBondContact CE-OE2 3.41Å; K418-E423 IonicContact NZ-OE2 2.65Å; K418-E423 PolarHBondContact NZ-OE2 3.48Å; E423-N425 PolarHBondContact O-N 3.17Å; E423-N425 VanDerWaalsContact O-N 3.13Å; E423-Y432 PolarHBondContact OE1-OH 3.17Å; E423-Y432 PolarHBondContact OE2-OH 2.96Å; E423-K454 WeakPolarHBondContact OE1-CE 3.36Å; E423-K454 IonicContact OE1-NZ 2.66Å; E423-K454 PolarHBondContact OE1-NZ 3.36Å
424F96.6Very high96.9Very high125 Ų12538.5 Ų38.555%0.54819%0.192SC..SBendtrans-89.471.3-177-71.1-86.6000110.9I458F424-I458 HydrophobicContact CD1-CG1 4.3Å; F424-I458 HydrophobicContact CE1-CG1 4.45Å
425N97.1Very high97Very high10 Ų1037.9 Ų37.95%0.05319%0.188CC..SBendtrans-141148.1175.1-170.5-86.9000111.5K219 F421 E423 Q427 T428 A429K219-N425 PolarHBondContact O-ND2 3.41Å; F421-N425 HydrophobicContact CB-CB 3.65Å; F421-N425 VanDerWaalsContact CB-CG 3.48Å; E423-N425 PolarHBondContact O-N 3.17Å; E423-N425 VanDerWaalsContact O-N 3.13Å; N425-Q427 VanDerWaalsContact C-N 3.33Å; N425-Q427 PolarHBondContact O-N 3.28Å; N425-Q427 WeakPolarHBondContact OD1-CB 3.33Å; N425-Q427 PolarHBondContact OD1-N 2.84Å; N425-T428 PolarHBondContact O-N 3.38Å; N425-A429 PolarHBondContact O-N 3.26Å
426V96.4Very high97Very high2 Ų232.1 Ų32.11%0.01216%0.161CC..Hα-helixtrans-59.9-41.1179.5179.10000111.8Y222 A429 K430 L462 L463Y222-V426 HydrophobicContact CE2-CB 4.45Å; Y222-V426 HydrophobicContact CE2-CG1 4.35Å; Y222-V426 HydrophobicContact CE2-CG2 4.23Å; V426-A429 PolarHBondContact O-N 2.88Å; V426-K430 WeakPolarHBondContact O-CG 3.44Å; V426-K430 PolarHBondContact O-N 3.24Å; V426-L462 HydrophobicContact CG2-CB 4.35Å; V426-L462 HydrophobicContact CG2-CD1 4.02Å; V426-L463 HydrophobicContact CG1-CD1 4.19Å; V426-L463 HydrophobicContact CG2-CD1 4.02Å; V426-L463 HydrophobicContact CG2-CD2 3.97Å; V426-L463 HydrophobicContact CG2-CG 4.05Å
427Q95.4Very high97Very high49 Ų4933.2 Ų33.223%0.22916%0.164CC..Hα-helixtrans-66.8-41.9178.5-57.1-56-32.400111.4S220 Y222 F421 N425 A429 K430 H431S220-Q427 WeakPolarHBondContact OG-CG 3.46Å; S220-Q427 PolarHBondContact OG-NE2 3.39Å; Y222-Q427 PolarHBondContact OH-NE2 3.42Å; F421-Q427 HydrophobicContact CD2-CB 4.14Å; F421-Q427 HydrophobicContact CE2-CB 4.1Å; F421-Q427 HydrophobicContact CE2-CG 4.22Å; N425-Q427 VanDerWaalsContact C-N 3.33Å; N425-Q427 PolarHBondContact O-N 3.28Å; N425-Q427 WeakPolarHBondContact OD1-CB 3.33Å; N425-Q427 PolarHBondContact OD1-N 2.84Å; Q427-A429 VanDerWaalsContact C-N 3.33Å; Q427-A429 PolarHBondContact O-N 2.85Å; Q427-K430 WeakPolarHBondContact O-CB 3.39Å; Q427-K430 PolarHBondContact O-N 3.24Å; Q427-H431 PolarHBondContact O-CD2 2.97Å; Q427-H431 PolarHBondContact O-N 3.35Å
428T97.9Very high97.1Very high0 Ų033.1 Ų33.10%016%0.164CC..Hα-helixtrans-59.5-44.2173.4-56.70000111.2L414 K418 G422 N425 K430 H431 Y432L414-T428 HydrophobicContact CD1-CG2 3.85Å; K418-T428 HydrophobicContact CG-CG2 3.68Å; G422-T428 PolarHBondContact O-OG1 3.03Å; N425-T428 PolarHBondContact O-N 3.38Å; T428-K430 VanDerWaalsContact C-N 3.34Å; T428-K430 PolarHBondContact O-N 3.2Å; T428-H431 PolarHBondContact O-N 3.15Å; T428-Y432 HydrophobicContact CG2-CD2 4.32Å; T428-Y432 HydrophobicContact CG2-CE2 3.79Å; T428-Y432 PolarHBondContact O-N 3.47Å
429A98.1Very high97.2Very high0 Ų031.5 Ų31.50%016%0.156CC..Hα-helixtrans-64.5-33.9176.900000113.4N425 V426 Q427 H431 Y432 G433 A455 I458 K459N425-A429 PolarHBondContact O-N 3.26Å; V426-A429 PolarHBondContact O-N 2.88Å; Q427-A429 VanDerWaalsContact C-N 3.33Å; Q427-A429 PolarHBondContact O-N 2.85Å; A429-H431 VanDerWaalsContact C-N 3.34Å; A429-H431 PolarHBondContact O-N 2.84Å; A429-Y432 PolarHBondContact O-N 3.28Å; A429-G433 PolarHBondContact O-N 3.22Å; A429-A455 WeakPolarHBondContact O-CB 3.46Å; A429-I458 HydrophobicContact CB-CB 3.97Å; A429-I458 HydrophobicContact CB-CG2 3.81Å; A429-K459 HydrophobicContact CB-CG 3.88Å
430K97Very high97.3Very high51 Ų5126.1 Ų26.122%0.22213%0.133CC..Hα-helixtrans-59.4-44.5172.1-75.6-179.7175.5-161.60111.5V426 Q427 T428 Y432 G433 N434 E469V426-K430 WeakPolarHBondContact O-CG 3.44Å; V426-K430 PolarHBondContact O-N 3.24Å; Q427-K430 WeakPolarHBondContact O-CB 3.39Å; Q427-K430 PolarHBondContact O-N 3.24Å; T428-K430 VanDerWaalsContact C-N 3.34Å; T428-K430 PolarHBondContact O-N 3.2Å; K430-Y432 VanDerWaalsContact C-N 3.33Å; K430-Y432 PolarHBondContact O-N 3.18Å; K430-G433 PolarHBondContact O-N 3.04Å; K430-N434 PolarHBondContact O-N 2.84Å; K430-N434 PolarHBondContact O-OD1 2.82Å; K430-N434 VanDerWaalsContact O-OD1 3.08Å; K430-E469 WeakPolarHBondContact CE-OE1 3.46Å; K430-E469 WeakPolarHBondContact CE-OE2 3.28Å; K430-E469 IonicContact NZ-OE1 3.48Å; K430-E469 PolarHBondContact NZ-OE1 3.01Å; K430-E469 IonicContact NZ-OE2 3.73Å
431H97.9Very high97.4Very high6 Ų625.3 Ų25.33%0.02813%0.125CC..Hα-helixtrans-63.9-36.1176.9-66.4-68.2000112.9S413 L414 Q427 T428 A429 N434 L435S413-H431 VanDerWaalsContact CB-CE1 3.42Å; S413-H431 WeakPolarHBondContact CB-CE1 3.45Å; L414-H431 HydrophobicContact CB-CB 3.95Å; L414-H431 HydrophobicContact CD1-CB 3.78Å; L414-H431 HydrophobicContact CG-CB 4.44Å; Q427-H431 PolarHBondContact O-CD2 2.97Å; Q427-H431 PolarHBondContact O-N 3.35Å; T428-H431 PolarHBondContact O-N 3.15Å; A429-H431 VanDerWaalsContact C-N 3.34Å; A429-H431 PolarHBondContact O-N 2.84Å; H431-N434 PolarHBondContact O-N 3.21Å; H431-L435 PolarHBondContact O-N 2.91Å
432Y98.6Very high97.5Very high11 Ų1125.2 Ų25.24%0.04313%0.125CC..Hα-helixtrans-62.2-46.8171.7-73.5-51.4000112.2L414 E423 T428 A429 K430 N434 L435 G436 M451 K454 I458L414-Y432 HydrophobicContact CD1-CD1 4.37Å; L414-Y432 HydrophobicContact CD1-CE1 4Å; L414-Y432 HydrophobicContact CD1-CE2 4.21Å; L414-Y432 HydrophobicContact CD2-CD1 4.1Å; L414-Y432 HydrophobicContact CD2-CE1 3.54Å; L414-Y432 HydrophobicContact CG-CE1 4.42Å; E423-Y432 PolarHBondContact OE1-OH 3.17Å; E423-Y432 PolarHBondContact OE2-OH 2.96Å; T428-Y432 HydrophobicContact CG2-CD2 4.32Å; T428-Y432 HydrophobicContact CG2-CE2 3.79Å; T428-Y432 PolarHBondContact O-N 3.47Å; A429-Y432 PolarHBondContact O-N 3.28Å; K430-Y432 VanDerWaalsContact C-N 3.33Å; K430-Y432 PolarHBondContact O-N 3.18Å; Y432-N434 VanDerWaalsContact C-N 3.28Å; Y432-N434 PolarHBondContact O-N 2.99Å; Y432-L435 PolarHBondContact O-N 2.88Å; Y432-G436 PolarHBondContact O-N 3.46Å; Y432-M451 HydrophobicContact CD1-SD 3.58Å; Y432-M451 VanDerWaalsContact CD1-SD 3.58Å; Y432-M451 HydrophobicContact CE1-SD 4.08Å; Y432-M451 WeakPolarHBondContact O-CB 3.4Å; Y432-K454 HydrophobicContact CD1-CD 4.31Å; Y432-K454 HydrophobicContact CD2-CD 4.16Å; Y432-K454 HydrophobicContact CD2-CG 4.32Å; Y432-K454 HydrophobicContact CE1-CD 4.22Å; Y432-K454 HydrophobicContact CE2-CD 4.04Å; Y432-K454 HydrophobicContact CG-CD 4.31Å; Y432-K454 VanDerWaalsContact CZ-NZ 3.31Å; Y432-K454 PolarHBondContact OH-NZ 3.44Å; Y432-K454 VanDerWaalsContact OH-NZ 3.13Å; Y432-I458 HydrophobicContact CD2-CD1 4.21Å; Y432-I458 HydrophobicContact CE2-CD1 4.3Å
433G98.1Very high97.5Very high3 Ų332.6 Ų32.63%0.03114%0.144CC..Hα-helixtrans-59.2-39.2177.100000113.1A429 K430 G436 R437 H452A429-G433 PolarHBondContact O-N 3.22Å; K430-G433 PolarHBondContact O-N 3.04Å; G433-G436 PolarHBondContact O-N 2.89Å; G433-R437 PolarHBondContact O-N 2.92Å; G433-R437 VanDerWaalsContact O-N 3.13Å; G433-H452 PolarHBondContact O-CE1 3.41Å; G433-H452 VanDerWaalsContact O-CE1 3.31Å
434N98Very high97.6Very high22 Ų2233.6 Ų33.612%0.11815%0.148CC..Hα-helixtrans-68.9-39.7176.1-7231.7000112.6R380 L384 K430 H431 Y432 G436 R437 L438R380-N434 WeakPolarHBondContact CG-ND2 3.43Å; L384-N434 WeakPolarHBondContact CD2-ND2 3.2Å; K430-N434 PolarHBondContact O-N 2.84Å; K430-N434 PolarHBondContact O-OD1 2.82Å; K430-N434 VanDerWaalsContact O-OD1 3.08Å; H431-N434 PolarHBondContact O-N 3.21Å; Y432-N434 VanDerWaalsContact C-N 3.28Å; Y432-N434 PolarHBondContact O-N 2.99Å; N434-G436 VanDerWaalsContact C-N 3.27Å; N434-G436 PolarHBondContact O-N 3.12Å; N434-R437 PolarHBondContact O-N 2.92Å; N434-L438 PolarHBondContact O-N 3.47Å
435L98.5Very high97.7Very high2 Ų230.4 Ų30.41%0.0113%0.134CC..Hα-helixtrans-63-35.9171.6-79.9167.7000111.8H410 L411 L414 H431 Y432 L438 Y439 M451H410-L435 HydrophobicContact CB-CD2 3.6Å; H410-L435 HydrophobicContact CB-CG 4.02Å; L411-L435 HydrophobicContact CD2-CD1 4.07Å; L411-L435 HydrophobicContact CD2-CD2 4.23Å; L411-L435 HydrophobicContact CG-CD2 4.48Å; L414-L435 HydrophobicContact CD2-CD1 3.68Å; H431-L435 PolarHBondContact O-N 2.91Å; Y432-L435 PolarHBondContact O-N 2.88Å; L435-L438 PolarHBondContact O-N 3.22Å; L435-Y439 HydrophobicContact CB-CE2 4.45Å; L435-Y439 WeakPolarHBondContact O-CB 3.45Å; L435-Y439 WeakPolarHBondContact O-CD2 3.43Å; L435-Y439 VanDerWaalsContact O-CG 3.29Å; L435-Y439 PolarHBondContact O-N 2.85Å; L435-M451 HydrophobicContact CB-CG 4.23Å
436G98.3Very high97.7Very high0 Ų037.3 Ų37.30%016%0.163CC..Hα-helixtrans-57.3-51.3173.400000111.7Y432 G433 N434 L438 Y439 Q440 A448Y432-G436 PolarHBondContact O-N 3.46Å; G433-G436 PolarHBondContact O-N 2.89Å; N434-G436 VanDerWaalsContact C-N 3.27Å; N434-G436 PolarHBondContact O-N 3.12Å; G436-L438 PolarHBondContact O-N 3.44Å; G436-Y439 PolarHBondContact O-N 3.32Å; G436-Q440 PolarHBondContact O-N 2.87Å; G436-A448 WeakPolarHBondContact O-CB 3.43Å
437R97.6Very high97.8Very high36 Ų3641.2 Ų41.214%0.13618%0.181CC..Hα-helixtrans-57.4-49.5174.4-75-175.744.2173.4-7.8112.5E387 E388 G433 N434 Y439 Q440 S441 H452 H476E387-R437 IonicContact OE2-NH2 3.54Å; E388-R437 IonicContact OE1-CZ 3.33Å; E388-R437 IonicContact OE1-NH2 2.71Å; E388-R437 PolarHBondContact OE1-NH2 2.98Å; G433-R437 PolarHBondContact O-N 2.92Å; G433-R437 VanDerWaalsContact O-N 3.13Å; N434-R437 PolarHBondContact O-N 2.92Å; R437-Y439 VanDerWaalsContact C-N 3.31Å; R437-Y439 PolarHBondContact O-N 3.08Å; R437-Q440 WeakPolarHBondContact O-CA 3.32Å; R437-Q440 VanDerWaalsContact O-CB 3.27Å; R437-Q440 WeakPolarHBondContact O-CB 3.47Å; R437-Q440 PolarHBondContact O-N 3.44Å; R437-Q440 VanDerWaalsContact O-N 3.09Å; R437-S441 PolarHBondContact O-N 3.02Å; R437-S441 PolarHBondContact O-OG 2.69Å; R437-H452 PolarHBondContact N-CE1 2.83Å; R437-H452 PolarHBondContact N-NE2 3.29Å; R437-H476 HydrophobicContact CG-CB 4.44Å
438L98.4Very high98Very high0 Ų038.9 Ų38.90%017%0.17CC..Hα-helixtrans-60.4-41.9179.4179.668.2000111.9E387 L403 A406 H407 N434 L435 G436 Q440 S441 M442E387-L438 HydrophobicContact CB-CD1 4.39Å; E387-L438 HydrophobicContact CG-CD1 4.08Å; L403-L438 HydrophobicContact CD2-CD1 3.76Å; A406-L438 HydrophobicContact CB-CD1 3.88Å; A406-L438 HydrophobicContact CB-CD2 4.32Å; H407-L438 HydrophobicContact CB-CD2 3.7Å; N434-L438 PolarHBondContact O-N 3.47Å; L435-L438 PolarHBondContact O-N 3.22Å; G436-L438 PolarHBondContact O-N 3.44Å; L438-Q440 VanDerWaalsContact C-N 3.31Å; L438-Q440 PolarHBondContact O-N 3.3Å; L438-S441 CarbonylContact O-C 3.5Å; L438-S441 WeakPolarHBondContact O-CB 3.47Å; L438-S441 PolarHBondContact O-N 3.44Å; L438-M442 HydrophobicContact CG-CG 4.46Å; L438-M442 HydrophobicContact CG-SD 4.29Å; L438-M442 VanDerWaalsContact O-CG 3.31Å; L438-M442 WeakPolarHBondContact O-CG 3.43Å; L438-M442 PolarHBondContact O-N 3.32Å
439Y98.6Very high98Very high35 Ų3540.9 Ų40.914%0.13718%0.18CC..Hα-helixtrans-65.8-33.7176.9-72.8-29.6000112.7H407 L435 G436 R437 M442 R443 K444 E447 M451H407-Y439 AromaticContact CD2-CE1 3.48Å; H407-Y439 VanDerWaalsContact CD2-CE1 3.48Å; H407-Y439 WeakPolarHBondContact CD2-CE1 3.12Å; H407-Y439 AromaticContact NE2-CE1 3.4Å; H407-Y439 WeakPolarHBondContact NE2-CE1 3.17Å; H407-Y439 AromaticContact NE2-CZ 3.66Å; H407-Y439 PolarHBondContact NE2-OH 2.96Å; H407-Y439 VanDerWaalsContact NE2-OH 3.08Å; L435-Y439 HydrophobicContact CB-CE2 4.45Å; L435-Y439 WeakPolarHBondContact O-CB 3.45Å; L435-Y439 WeakPolarHBondContact O-CD2 3.43Å; L435-Y439 VanDerWaalsContact O-CG 3.29Å; L435-Y439 PolarHBondContact O-N 2.85Å; G436-Y439 PolarHBondContact O-N 3.32Å; R437-Y439 VanDerWaalsContact C-N 3.31Å; R437-Y439 PolarHBondContact O-N 3.08Å; Y439-M442 HydrophobicContact CD1-SD 4.08Å; Y439-M442 HydrophobicContact CE1-SD 4.44Å; Y439-M442 CarbonylContact O-C 3.6Å; Y439-M442 PolarHBondContact O-N 3.27Å; Y439-R443 PolarHBondContact O-N 3.33Å; Y439-R443 VanDerWaalsContact O-N 3.12Å; Y439-K444 HydrophobicContact CD1-CD 4.08Å; Y439-K444 HydrophobicContact CE1-CD 4.48Å; Y439-K444 WeakPolarHBondContact O-CA 3.09Å; Y439-K444 PolarHBondContact O-N 3.06Å; Y439-E447 HydrophobicContact CD2-CB 3.67Å; Y439-E447 HydrophobicContact CE2-CB 4.08Å; Y439-E447 HydrophobicContact CG-CB 4.1Å; Y439-M451 HydrophobicContact CD2-CG 3.94Å; Y439-M451 HydrophobicContact CE2-CG 3.91Å
440Q97.7Very high98.1Very high27 Ų2746.8 Ų46.813%0.12621%0.207CC..Hα-helixtrans-59.9-49.1169.3-176.6-177.44.900110.4G436 R437 L438 M442 R443 F445 A448 L480 D484G436-Q440 PolarHBondContact O-N 2.87Å; R437-Q440 WeakPolarHBondContact O-CA 3.32Å; R437-Q440 VanDerWaalsContact O-CB 3.27Å; R437-Q440 WeakPolarHBondContact O-CB 3.47Å; R437-Q440 PolarHBondContact O-N 3.44Å; R437-Q440 VanDerWaalsContact O-N 3.09Å; L438-Q440 VanDerWaalsContact C-N 3.31Å; L438-Q440 PolarHBondContact O-N 3.3Å; Q440-M442 VanDerWaalsContact C-N 3.27Å; Q440-M442 PolarHBondContact O-N 2.84Å; Q440-R443 WeakPolarHBondContact O-CA 3.25Å; Q440-R443 PolarHBondContact O-N 3.11Å; Q440-F445 HydrophobicContact CG-CD1 4.49Å; Q440-F445 HydrophobicContact CG-CE1 4.46Å; Q440-A448 HydrophobicContact CB-CB 4.16Å; Q440-L480 HydrophobicContact CB-CD1 4.13Å; Q440-L480 HydrophobicContact CG-CD1 3.76Å; Q440-D484 WeakPolarHBondContact CG-OD2 3.47Å; Q440-D484 PolarHBondContact NE2-OD2 3.27Å
441S96.7Very high98.1Very high26 Ų2645.9 Ų45.918%0.18220%0.204CC..Hα-helixtrans-59.9-34.6176.2-57.20000112.6E387 R437 L438 R443E387-S441 PolarHBondContact OE1-OG 2.79Å; R437-S441 PolarHBondContact O-N 3.02Å; R437-S441 PolarHBondContact O-OG 2.69Å; L438-S441 CarbonylContact O-C 3.5Å; L438-S441 WeakPolarHBondContact O-CB 3.47Å; L438-S441 PolarHBondContact O-N 3.44Å; S441-R443 VanDerWaalsContact C-N 3.25Å; S441-R443 PolarHBondContact O-N 2.84Å
442M97.4Very high98.2Very high41 Ų4145.6 Ų45.620%0.20220%0.203CC..THydrogen-bonded Turntrans-79.42.1172.6-64.2-178.990.200114.4L403 L438 Y439 Q440 K444L403-M442 HydrophobicContact CB-CG 4.15Å; L403-M442 HydrophobicContact CD1-CG 4.19Å; L438-M442 HydrophobicContact CG-CG 4.46Å; L438-M442 HydrophobicContact CG-SD 4.29Å; L438-M442 VanDerWaalsContact O-CG 3.31Å; L438-M442 WeakPolarHBondContact O-CG 3.43Å; L438-M442 PolarHBondContact O-N 3.32Å; Y439-M442 HydrophobicContact CD1-SD 4.08Å; Y439-M442 HydrophobicContact CE1-SD 4.44Å; Y439-M442 CarbonylContact O-C 3.6Å; Y439-M442 PolarHBondContact O-N 3.27Å; Q440-M442 VanDerWaalsContact C-N 3.27Å; Q440-M442 PolarHBondContact O-N 2.84Å; M442-K444 VanDerWaalsContact C-N 3.27Å; M442-K444 HydrophobicContact CB-CD 4.33Å; M442-K444 HydrophobicContact CB-CG 4.27Å; M442-K444 PolarHBondContact O-N 3.23Å
443R96.9Very high98.2Very high184 Ų18447.9 Ų47.969%0.69422%0.215SC*.THydrogen-bonded Turntrans63.426.3-177.4-46.4177.9-172-158.70.2114.7Y439 Q440 S441 F445Y439-R443 PolarHBondContact O-N 3.33Å; Y439-R443 VanDerWaalsContact O-N 3.12Å; Q440-R443 WeakPolarHBondContact O-CA 3.25Å; Q440-R443 PolarHBondContact O-N 3.11Å; S441-R443 VanDerWaalsContact C-N 3.25Å; S441-R443 PolarHBondContact O-N 2.84Å; R443-F445 HydrophobicContact CB-CE1 4.33Å; R443-F445 HydrophobicContact CB-CE2 4.41Å; R443-F445 HydrophobicContact CB-CZ 3.94Å; R443-F445 HydrophobicContact CG-CZ 4.38Å
444K98.3Very high98.2Very high75 Ų7550.7 Ų50.733%0.32623%0.227SC..  trans-99.766.8176.1-64.6179.8-175.1171.70110Y439 M442 K446 E447 A448Y439-K444 HydrophobicContact CD1-CD 4.08Å; Y439-K444 HydrophobicContact CE1-CD 4.48Å; Y439-K444 WeakPolarHBondContact O-CA 3.09Å; Y439-K444 PolarHBondContact O-N 3.06Å; M442-K444 VanDerWaalsContact C-N 3.27Å; M442-K444 HydrophobicContact CB-CD 4.33Å; M442-K444 HydrophobicContact CB-CG 4.27Å; M442-K444 PolarHBondContact O-N 3.23Å; K444-K446 PolarHBondContact O-N 3.12Å; K444-E447 HydrophobicContact CB-CB 4.29Å; K444-E447 PolarHBondContact O-N 3.33Å; K444-A448 WeakPolarHBondContact O-CB 3.49Å; K444-A448 PolarHBondContact O-N 2.96Å
445F98.4Very high98.2Very high59 Ų5949.6 Ų49.626%0.25922%0.221SC..Hα-helixtrans-66.3-31.5-164.9-54-50.4000114.5Q440 R443 A448 E449 L480 D484 M485Q440-F445 HydrophobicContact CG-CD1 4.49Å; Q440-F445 HydrophobicContact CG-CE1 4.46Å; R443-F445 HydrophobicContact CB-CE1 4.33Å; R443-F445 HydrophobicContact CB-CE2 4.41Å; R443-F445 HydrophobicContact CB-CZ 3.94Å; R443-F445 HydrophobicContact CG-CZ 4.38Å; F445-A448 WeakPolarHBondContact O-CB 3.41Å; F445-A448 PolarHBondContact O-N 2.67Å; F445-E449 WeakPolarHBondContact O-CB 3.37Å; F445-E449 PolarHBondContact O-N 2.93Å; F445-L480 HydrophobicContact CB-CD1 4.07Å; F445-L480 HydrophobicContact CD1-CD1 3.72Å; F445-L480 HydrophobicContact CG-CD1 4.28Å; F445-D484 HydrophobicContact CD1-CB 3.61Å; F445-D484 HydrophobicContact CD2-CB 4.3Å; F445-D484 HydrophobicContact CE1-CB 3.42Å; F445-D484 VanDerWaalsContact CE1-CB 3.42Å; F445-D484 WeakPolarHBondContact CE1-OD1 3.45Å; F445-D484 HydrophobicContact CE2-CB 4.13Å; F445-D484 HydrophobicContact CG-CB 4.06Å; F445-D484 HydrophobicContact CZ-CB 3.69Å; F445-D484 WeakPolarHBondContact CZ-OD1 3.36Å; F445-M485 HydrophobicContact CB-CG 4.33Å
446K98.3Very high98.2Very high155 Ų15550.2 Ų50.267%0.67422%0.224SC*.Hα-helixtrans-69.6-45.9177.1-69.1-175.3177.6-177.40111.1K444 A448 E449 E450K444-K446 PolarHBondContact O-N 3.12Å; K446-A448 VanDerWaalsContact C-N 3.26Å; K446-A448 PolarHBondContact O-N 3Å; K446-E449 PolarHBondContact O-N 2.94Å; K446-E450 WeakPolarHBondContact O-CG 3.41Å; K446-E450 PolarHBondContact O-N 3.06Å
447E98.5Very high98.3Very high84 Ų8455.7 Ų55.739%0.39325%0.25SC..Hα-helixtrans-63-37175.3-61.692.6142.500111Y439 K444 M451Y439-E447 HydrophobicContact CD2-CB 3.67Å; Y439-E447 HydrophobicContact CE2-CB 4.08Å; Y439-E447 HydrophobicContact CG-CB 4.1Å; K444-E447 HydrophobicContact CB-CB 4.29Å; K444-E447 PolarHBondContact O-N 3.33Å; E447-M451 VanDerWaalsContact O-CG 3.27Å; E447-M451 WeakPolarHBondContact O-CG 3.32Å; E447-M451 PolarHBondContact O-N 3.03Å; E447-M451 VanDerWaalsContact O-N 3.12Å
448A98.7Very high98.3Very high0 Ų054.3 Ų54.30%025%0.245CC..Hα-helixtrans-60.4-50.8173.700000112G436 Q440 K444 F445 K446 E450 M451 H452 L480G436-A448 WeakPolarHBondContact O-CB 3.43Å; Q440-A448 HydrophobicContact CB-CB 4.16Å; K444-A448 WeakPolarHBondContact O-CB 3.49Å; K444-A448 PolarHBondContact O-N 2.96Å; F445-A448 WeakPolarHBondContact O-CB 3.41Å; F445-A448 PolarHBondContact O-N 2.67Å; K446-A448 VanDerWaalsContact C-N 3.26Å; K446-A448 PolarHBondContact O-N 3Å; A448-E450 PolarHBondContact O-N 3.21Å; A448-M451 PolarHBondContact O-N 3.48Å; A448-H452 PolarHBondContact O-CD2 2.94Å; A448-H452 PolarHBondContact O-N 3.41Å; A448-L480 HydrophobicContact CB-CD1 4.09Å; A448-L480 HydrophobicContact CB-CD2 3.86Å
449E98.7Very high98.3Very high42 Ų4254.7 Ų54.720%0.19625%0.246CC..Hα-helixtrans-57.9-48.6178.2-178.4176.2-154.200111.5F445 K446 M451 H452 I453 L477 L480 Y481 M485F445-E449 WeakPolarHBondContact O-CB 3.37Å; F445-E449 PolarHBondContact O-N 2.93Å; K446-E449 PolarHBondContact O-N 2.94Å; E449-M451 VanDerWaalsContact C-N 3.32Å; E449-M451 PolarHBondContact O-N 3.28Å; E449-H452 PolarHBondContact O-N 3.14Å; E449-I453 HydrophobicContact CG-CD1 3.71Å; E449-I453 HydrophobicContact CG-CG1 4.37Å; E449-I453 WeakPolarHBondContact O-CB 3.38Å; E449-I453 WeakPolarHBondContact O-CG1 3.47Å; E449-I453 PolarHBondContact O-N 3.18Å; E449-L477 HydrophobicContact CG-CD1 4.28Å; E449-L480 HydrophobicContact CB-CD2 3.72Å; E449-Y481 HydrophobicContact CG-CE1 4.11Å; E449-Y481 WeakPolarHBondContact OE1-CE1 3.5Å; E449-Y481 VanDerWaalsContact OE1-CZ 3.28Å; E449-Y481 PolarHBondContact OE1-OH 2.97Å; E449-M485 WeakPolarHBondContact OE2-CE 3.49Å
450E98.6Very high98.2Very high123 Ų12354.7 Ų54.758%0.57525%0.248SC*.Hα-helixtrans-56.4-45.2177.7-74.7178.1-172.700112K446 A448 K454K446-E450 WeakPolarHBondContact O-CG 3.41Å; K446-E450 PolarHBondContact O-N 3.06Å; A448-E450 PolarHBondContact O-N 3.21Å; E450-K454 WeakPolarHBondContact O-CB 3.17Å; E450-K454 PolarHBondContact O-N 3.21Å
451M98.8Very high98.2Very high33 Ų3360 Ų6016%0.16327%0.273CS..Hα-helixtrans-68.4-39.6179.8-68.7-54.39500112.2Y432 L435 Y439 E447 A448 E449 A455Y432-M451 HydrophobicContact CD1-SD 3.58Å; Y432-M451 VanDerWaalsContact CD1-SD 3.58Å; Y432-M451 HydrophobicContact CE1-SD 4.08Å; Y432-M451 WeakPolarHBondContact O-CB 3.4Å; L435-M451 HydrophobicContact CB-CG 4.23Å; Y439-M451 HydrophobicContact CD2-CG 3.94Å; Y439-M451 HydrophobicContact CE2-CG 3.91Å; E447-M451 VanDerWaalsContact O-CG 3.27Å; E447-M451 WeakPolarHBondContact O-CG 3.32Å; E447-M451 PolarHBondContact O-N 3.03Å; E447-M451 VanDerWaalsContact O-N 3.12Å; A448-M451 PolarHBondContact O-N 3.48Å; E449-M451 VanDerWaalsContact C-N 3.32Å; E449-M451 PolarHBondContact O-N 3.28Å; M451-A455 WeakPolarHBondContact O-CB 3.47Å; M451-A455 PolarHBondContact O-N 3.29Å
452H98.7Very high98.1Very high0 Ų062.1 Ų62.10%028%0.282CS..Hα-helixtrans-64.4-49.4175.4-77.7-50.5000112.4G433 R437 A448 E449 K454 A455 I456 L477G433-H452 PolarHBondContact O-CE1 3.41Å; G433-H452 VanDerWaalsContact O-CE1 3.31Å; R437-H452 PolarHBondContact N-CE1 2.83Å; R437-H452 PolarHBondContact N-NE2 3.29Å; A448-H452 PolarHBondContact O-CD2 2.94Å; A448-H452 PolarHBondContact O-N 3.41Å; E449-H452 PolarHBondContact O-N 3.14Å; H452-K454 VanDerWaalsContact C-N 3.3Å; H452-K454 PolarHBondContact O-N 2.9Å; H452-A455 PolarHBondContact O-N 2.89Å; H452-I456 VanDerWaalsContact O-CG1 3.29Å; H452-I456 WeakPolarHBondContact O-CG1 3.5Å; H452-I456 PolarHBondContact O-N 3.02Å; H452-L477 HydrophobicContact CB-CB 4.12Å; H452-L477 HydrophobicContact CB-CD1 3.91Å; H452-L477 HydrophobicContact CB-CG 4.45Å
453I98.8Very high98Very high58 Ų5862.3 Ų62.330%0.29728%0.283SS..Hα-helixtrans-58.4-46.1178-70.4172.9000110E449 A455 I456 Q457 L477E449-I453 HydrophobicContact CG-CD1 3.71Å; E449-I453 HydrophobicContact CG-CG1 4.37Å; E449-I453 WeakPolarHBondContact O-CB 3.38Å; E449-I453 WeakPolarHBondContact O-CG1 3.47Å; E449-I453 PolarHBondContact O-N 3.18Å; I453-A455 VanDerWaalsContact C-N 3.35Å; I453-A455 PolarHBondContact O-N 3.48Å; I453-I456 PolarHBondContact O-N 2.71Å; I453-Q457 HydrophobicContact CG2-CG 4.29Å; I453-Q457 WeakPolarHBondContact O-CB 3.48Å; I453-Q457 VanDerWaalsContact O-CG 3.31Å; I453-Q457 WeakPolarHBondContact O-CG 3.26Å; I453-Q457 PolarHBondContact O-N 3.05Å; I453-L477 HydrophobicContact CG1-CD2 4.07Å
454K98.5Very high97.9Very high62 Ų6255 Ų5527%0.2727%0.265SS..Hα-helixtrans-60-44177.8-172.6176.1-175.6-178.50112.3E423 Y432 E450 H452 I458E423-K454 WeakPolarHBondContact OE1-CE 3.36Å; E423-K454 IonicContact OE1-NZ 2.66Å; E423-K454 PolarHBondContact OE1-NZ 3.36Å; Y432-K454 HydrophobicContact CD1-CD 4.31Å; Y432-K454 HydrophobicContact CD2-CD 4.16Å; Y432-K454 HydrophobicContact CD2-CG 4.32Å; Y432-K454 HydrophobicContact CE1-CD 4.22Å; Y432-K454 HydrophobicContact CE2-CD 4.04Å; Y432-K454 HydrophobicContact CG-CD 4.31Å; Y432-K454 VanDerWaalsContact CZ-NZ 3.31Å; Y432-K454 PolarHBondContact OH-NZ 3.44Å; Y432-K454 VanDerWaalsContact OH-NZ 3.13Å; E450-K454 WeakPolarHBondContact O-CB 3.17Å; E450-K454 PolarHBondContact O-N 3.21Å; H452-K454 VanDerWaalsContact C-N 3.3Å; H452-K454 PolarHBondContact O-N 2.9Å; K454-I458 HydrophobicContact CG-CD1 4.21Å; K454-I458 WeakPolarHBondContact O-CG1 3.15Å; K454-I458 PolarHBondContact O-N 2.88Å
455A98.6Very high97.8Very high0 Ų056.7 Ų56.70%027%0.274CS..Hα-helixtrans-62.6-43.5176.500000112A429 M451 H452 I453 K459A429-A455 WeakPolarHBondContact O-CB 3.46Å; M451-A455 WeakPolarHBondContact O-CB 3.47Å; M451-A455 PolarHBondContact O-N 3.29Å; H452-A455 PolarHBondContact O-N 2.89Å; I453-A455 VanDerWaalsContact C-N 3.35Å; I453-A455 PolarHBondContact O-N 3.48Å; A455-K459 WeakPolarHBondContact O-CB 3.34Å; A455-K459 VanDerWaalsContact O-CG 3.24Å; A455-K459 WeakPolarHBondContact O-CG 3.15Å; A455-K459 PolarHBondContact O-N 3.46Å
456I98.7Very high97.6Very high14 Ų1458.6 Ų58.67%0.07228%0.283CS..Hα-helixtrans-62-50.7178-68164.6000110.1H452 I453 I458 K459 E460 V474 L477H452-I456 VanDerWaalsContact O-CG1 3.29Å; H452-I456 WeakPolarHBondContact O-CG1 3.5Å; H452-I456 PolarHBondContact O-N 3.02Å; I453-I456 PolarHBondContact O-N 2.71Å; I456-I458 PolarHBondContact O-N 2.65Å; I456-K459 PolarHBondContact O-N 2.85Å; I456-K459 VanDerWaalsContact O-N 3.14Å; I456-E460 HydrophobicContact CG2-CG 3.99Å; I456-E460 WeakPolarHBondContact O-CB 3.49Å; I456-E460 WeakPolarHBondContact O-CG 3.41Å; I456-E460 PolarHBondContact O-N 2.75Å; I456-V474 HydrophobicContact CD1-CG2 3.99Å; I456-V474 HydrophobicContact CG1-CG2 4.24Å; I456-V474 HydrophobicContact CG2-CG2 4.31Å; I456-L477 HydrophobicContact CD1-CB 4.12Å; I456-L477 HydrophobicContact CD1-CD2 3.72Å
457Q98.6Very high97.4Very high116 Ų11652.5 Ų52.554%0.54226%0.258SS..Hα-helixtrans-55.8-47.4-179.1-74.6173.5-10.300112.4I453 Q461I453-Q457 HydrophobicContact CG2-CG 4.29Å; I453-Q457 WeakPolarHBondContact O-CB 3.48Å; I453-Q457 VanDerWaalsContact O-CG 3.31Å; I453-Q457 WeakPolarHBondContact O-CG 3.26Å; I453-Q457 PolarHBondContact O-N 3.05Å; Q457-Q461 WeakPolarHBondContact O-CB 3.16Å; Q457-Q461 PolarHBondContact O-N 3.4Å
458I98.4Very high97.1Very high7 Ų750.3 Ų50.34%0.03625%0.246CC..Hα-helixtrans-64.3-44.6178.5-64.6167.3000110.5F424 A429 Y432 K454 I456 Q461 L462F424-I458 HydrophobicContact CD1-CG1 4.3Å; F424-I458 HydrophobicContact CE1-CG1 4.45Å; A429-I458 HydrophobicContact CB-CB 3.97Å; A429-I458 HydrophobicContact CB-CG2 3.81Å; Y432-I458 HydrophobicContact CD2-CD1 4.21Å; Y432-I458 HydrophobicContact CE2-CD1 4.3Å; K454-I458 HydrophobicContact CG-CD1 4.21Å; K454-I458 WeakPolarHBondContact O-CG1 3.15Å; K454-I458 PolarHBondContact O-N 2.88Å; I456-I458 PolarHBondContact O-N 2.65Å; I458-Q461 PolarHBondContact O-N 3.43Å; I458-L462 HydrophobicContact CG2-CD1 3.74Å; I458-L462 HydrophobicContact CG2-CG 4.4Å; I458-L462 WeakPolarHBondContact O-CB 3.29Å; I458-L462 VanDerWaalsContact O-CG 3.31Å; I458-L462 WeakPolarHBondContact O-CG 3.4Å; I458-L462 PolarHBondContact O-N 3.16Å; I458-L462 VanDerWaalsContact O-N 3.07Å
459K98Very high96.9Very high7 Ų751.6 Ų51.63%0.0325%0.252CS..Hα-helixtrans-66.4-41.9-179.3-72.3177178.4-161.80112.2A429 A455 I456 Q461 L462 L463 E469 V470 S473A429-K459 HydrophobicContact CB-CG 3.88Å; A455-K459 WeakPolarHBondContact O-CB 3.34Å; A455-K459 VanDerWaalsContact O-CG 3.24Å; A455-K459 WeakPolarHBondContact O-CG 3.15Å; A455-K459 PolarHBondContact O-N 3.46Å; I456-K459 PolarHBondContact O-N 2.85Å; I456-K459 VanDerWaalsContact O-N 3.14Å; K459-Q461 VanDerWaalsContact C-N 3.34Å; K459-Q461 PolarHBondContact O-N 3.15Å; K459-L462 PolarHBondContact O-N 3.44Å; K459-L463 WeakPolarHBondContact O-CB 3.2Å; K459-L463 PolarHBondContact O-N 2.88Å; K459-E469 HydrophobicContact CD-CB 4.03Å; K459-E469 VanDerWaalsContact CD-O 3.3Å; K459-E469 WeakPolarHBondContact CD-O 3.23Å; K459-E469 PolarHBondContact NZ-O 2.78Å; K459-E469 IonicContact NZ-OE2 3.29Å; K459-E469 PolarHBondContact NZ-OE2 3.06Å; K459-V470 HydrophobicContact CB-CG2 3.75Å; K459-S473 WeakPolarHBondContact CE-OG 3.37Å; K459-S473 PolarHBondContact NZ-OG 3.25Å
460E97.7Very high96.8Very high36 Ų3649.6 Ų49.617%0.16824%0.243CC..Hα-helixtrans-62.2-42.4175.9-72.8-173.4142.800111.6I456 L462 G464 H465 V470 R497I456-E460 HydrophobicContact CG2-CG 3.99Å; I456-E460 WeakPolarHBondContact O-CB 3.49Å; I456-E460 WeakPolarHBondContact O-CG 3.41Å; I456-E460 PolarHBondContact O-N 2.75Å; E460-L462 VanDerWaalsContact C-N 3.34Å; E460-L462 PolarHBondContact O-N 3.08Å; E460-G464 WeakPolarHBondContact O-CA 3.32Å; E460-G464 PolarHBondContact O-N 3.41Å; E460-H465 IonicContact OE1-CE1 2.6Å; E460-H465 IonicContact OE1-CG 2.94Å; E460-H465 IonicContact OE1-ND1 2.81Å; E460-H465 PolarHBondContact OE1-ND1 3.19Å; E460-H465 IonicContact OE2-CE1 3.15Å; E460-H465 IonicContact OE2-ND1 2.72Å; E460-H465 PolarHBondContact OE2-ND1 3.19Å; E460-V470 HydrophobicContact CG-CG1 3.78Å; E460-V470 HydrophobicContact CG-CG2 3.87Å; E460-R497 IonicContact OE1-CZ 3.77Å; E460-R497 VanDerWaalsContact OE1-CZ 3.24Å; E460-R497 IonicContact OE1-NH1 2.61Å; E460-R497 PolarHBondContact OE1-NH1 3.29Å; E460-R497 IonicContact OE1-NH2 3.37Å; E460-R497 PolarHBondContact OE1-NH2 2.88Å
461Q96.9Very high96.7Very high138 Ų13843.9 Ų43.965%0.64522%0.217SC*.Hα-helixtrans-64-37.3177.4-175.8-179.8-10.700112.7Q457 I458 K459Q457-Q461 WeakPolarHBondContact O-CB 3.16Å; Q457-Q461 PolarHBondContact O-N 3.4Å; I458-Q461 PolarHBondContact O-N 3.43Å; K459-Q461 VanDerWaalsContact C-N 3.34Å; K459-Q461 PolarHBondContact O-N 3.15Å
462L95.6Very high96.5Very high71 Ų7144.7 Ų44.737%0.37222%0.222SC..Hα-helixtrans-90.1-34.8-174.7-66.9177.3000114.1V426 I458 K459 E460V426-L462 HydrophobicContact CG2-CB 4.35Å; V426-L462 HydrophobicContact CG2-CD1 4.02Å; I458-L462 HydrophobicContact CG2-CD1 3.74Å; I458-L462 HydrophobicContact CG2-CG 4.4Å; I458-L462 WeakPolarHBondContact O-CB 3.29Å; I458-L462 VanDerWaalsContact O-CG 3.31Å; I458-L462 WeakPolarHBondContact O-CG 3.4Å; I458-L462 PolarHBondContact O-N 3.16Å; I458-L462 VanDerWaalsContact O-N 3.07Å; K459-L462 PolarHBondContact O-N 3.44Å; E460-L462 VanDerWaalsContact C-N 3.34Å; E460-L462 PolarHBondContact O-N 3.08Å
463L94Very high96.4Very high45 Ų4544.9 Ų44.924%0.23622%0.223CC..Hα-helixtrans-115.4-18.4-170.7-56.3173.9000113Y222 V426 K459 D467 E469Y222-L463 HydrophobicContact CD2-CD2 4Å; Y222-L463 HydrophobicContact CE2-CD2 4.37Å; V426-L463 HydrophobicContact CG1-CD1 4.19Å; V426-L463 HydrophobicContact CG2-CD1 4.02Å; V426-L463 HydrophobicContact CG2-CD2 3.97Å; V426-L463 HydrophobicContact CG2-CG 4.05Å; K459-L463 WeakPolarHBondContact O-CB 3.2Å; K459-L463 PolarHBondContact O-N 2.88Å; L463-D467 HydrophobicContact CB-CB 3.62Å; L463-D467 HydrophobicContact CD1-CB 4.46Å; L463-E469 HydrophobicContact CD1-CB 3.78Å; L463-E469 HydrophobicContact CD1-CG 4.16Å
464G95.1Very high96.4Very high30 Ų3042.1 Ų42.131%0.30921%0.209SC..  trans92.4160.4-173.200000113.6E460 E466 D467 V470E460-G464 WeakPolarHBondContact O-CA 3.32Å; E460-G464 PolarHBondContact O-N 3.41Å; G464-E466 PolarHBondContact O-N 3.24Å; G464-D467 PolarHBondContact O-N 3.42Å; G464-V470 WeakPolarHBondContact O-CG2 3.5Å
465H95.8Very high96.4Very high111 Ų11139.2 Ų39.251%0.51420%0.197SC..THydrogen-bonded Turntrans-66.3-18.1-172.4-65-76.3000115.5E460 R497 I501E460-H465 IonicContact OE1-CE1 2.6Å; E460-H465 IonicContact OE1-CG 2.94Å; E460-H465 IonicContact OE1-ND1 2.81Å; E460-H465 PolarHBondContact OE1-ND1 3.19Å; E460-H465 IonicContact OE2-CE1 3.15Å; E460-H465 IonicContact OE2-ND1 2.72Å; E460-H465 PolarHBondContact OE2-ND1 3.19Å; H465-R497 PolarHBondContact O-NH2 3.37Å; H465-I501 WeakPolarHBondContact O-CD1 3.3Å
466E94.6Very high96.4Very high98 Ų9840.9 Ų40.946%0.45821%0.205SC..THydrogen-bonded Turntrans-106.29.5-174.2-64.6-76.7124.700112.1G464 I501 K504G464-E466 PolarHBondContact O-N 3.24Å; E466-I501 VanDerWaalsContact O-CG2 3.29Å; E466-I501 WeakPolarHBondContact O-CG2 3.35Å; E466-K504 IonicContact OE2-NZ 3.02Å; E466-K504 PolarHBondContact OE2-NZ 3.42Å
467D93.4Very high96.4Very high27 Ų2740.6 Ų40.614%0.14420%0.203CC..  trans-75.3146.9177.8-166.7-84.4000111.5L463 G464 E469 V470 A471L463-D467 HydrophobicContact CB-CB 3.62Å; L463-D467 HydrophobicContact CD1-CB 4.46Å; G464-D467 PolarHBondContact O-N 3.42Å; D467-E469 VanDerWaalsContact C-N 3.29Å; D467-E469 PolarHBondContact O-N 2.94Å; D467-E469 WeakPolarHBondContact OD1-CB 3.17Å; D467-E469 PolarHBondContact OD1-N 3.34Å; D467-V470 HydrophobicContact CB-CG2 4.37Å; D467-V470 WeakPolarHBondContact O-CB 3.47Å; D467-V470 PolarHBondContact O-N 3.39Å; D467-A471 PolarHBondContact O-N 3.17Å; D467-A471 VanDerWaalsContact O-N 3.09Å
468Y92.1Very high96.4Very high38 Ų3835.1 Ų35.115%0.14918%0.177CC..Hα-helixtrans-56.1-39.7176.5167.5-111.1000113.6V470 A471 L472 F506 Y510Y468-V470 PolarHBondContact O-N 3.17Å; Y468-A471 WeakPolarHBondContact O-CB 3.29Å; Y468-A471 PolarHBondContact O-N 3.06Å; Y468-A471 VanDerWaalsContact O-N 3.13Å; Y468-L472 HydrophobicContact CD1-CD1 4.3Å; Y468-L472 HydrophobicContact CD2-CG 4.3Å; Y468-L472 HydrophobicContact CE1-CD1 3.54Å; Y468-L472 HydrophobicContact CE1-CG 4.06Å; Y468-L472 HydrophobicContact CE2-CD1 4.11Å; Y468-L472 HydrophobicContact CE2-CD2 3.84Å; Y468-L472 HydrophobicContact CE2-CG 3.73Å; Y468-L472 VanDerWaalsContact CZ-CD1 3.46Å; Y468-L472 PolarHBondContact O-N 3.48Å; Y468-L472 WeakPolarHBondContact OH-CD1 3.28Å; Y468-F506 HydrophobicContact CD1-CZ 4.3Å; Y468-F506 HydrophobicContact CD2-CD2 4.36Å; Y468-F506 AromaticContact CD2-CE2 3.27Å; Y468-F506 HydrophobicContact CD2-CE2 3.27Å; Y468-F506 AromaticContact CD2-CZ 3.63Å; Y468-F506 HydrophobicContact CD2-CZ 3.63Å; Y468-F506 AromaticContact CE2-CE2 3.78Å; Y468-F506 HydrophobicContact CE2-CE2 3.78Å; Y468-F506 AromaticContact CE2-CZ 3.97Å; Y468-F506 HydrophobicContact CE2-CZ 3.97Å; Y468-F506 AromaticContact CG-CE2 3.76Å; Y468-F506 HydrophobicContact CG-CE2 3.76Å; Y468-F506 AromaticContact CG-CZ 3.77Å; Y468-F506 HydrophobicContact CG-CZ 3.77Å; Y468-Y510 HydrophobicContact CE2-CE1 4.1Å; Y468-Y510 AromaticContact CE2-CZ 3.79Å; Y468-Y510 VanDerWaalsContact CE2-OH 3.24Å; Y468-Y510 WeakPolarHBondContact CE2-OH 3.37Å; Y468-Y510 PolarHBondContact OH-OH 3.4Å
469E94.5Very high96.3Very high27 Ų2735.1 Ų35.113%0.12618%0.178CC..Hα-helixtrans-65.6-27.8179.6-74-72.7168.900111.9K430 K459 L463 D467 S473K430-E469 WeakPolarHBondContact CE-OE1 3.46Å; K430-E469 WeakPolarHBondContact CE-OE2 3.28Å; K430-E469 IonicContact NZ-OE1 3.48Å; K430-E469 PolarHBondContact NZ-OE1 3.01Å; K430-E469 IonicContact NZ-OE2 3.73Å; K459-E469 HydrophobicContact CD-CB 4.03Å; K459-E469 VanDerWaalsContact CD-O 3.3Å; K459-E469 WeakPolarHBondContact CD-O 3.23Å; K459-E469 PolarHBondContact NZ-O 2.78Å; K459-E469 IonicContact NZ-OE2 3.29Å; K459-E469 PolarHBondContact NZ-OE2 3.06Å; L463-E469 HydrophobicContact CD1-CB 3.78Å; L463-E469 HydrophobicContact CD1-CG 4.16Å; D467-E469 VanDerWaalsContact C-N 3.29Å; D467-E469 PolarHBondContact O-N 2.94Å; D467-E469 WeakPolarHBondContact OD1-CB 3.17Å; D467-E469 PolarHBondContact OD1-N 3.34Å; E469-S473 PolarHBondContact O-N 3.31Å; E469-S473 PolarHBondContact O-OG 2.85Å
470V97.1Very high96.3Very high0 Ų034.8 Ų34.80%018%0.177CC..Hα-helixtrans-72.5-45.8171.5175.60000110K459 E460 G464 D467 Y468 L472 S473 V474K459-V470 HydrophobicContact CB-CG2 3.75Å; E460-V470 HydrophobicContact CG-CG1 3.78Å; E460-V470 HydrophobicContact CG-CG2 3.87Å; G464-V470 WeakPolarHBondContact O-CG2 3.5Å; D467-V470 HydrophobicContact CB-CG2 4.37Å; D467-V470 WeakPolarHBondContact O-CB 3.47Å; D467-V470 PolarHBondContact O-N 3.39Å; Y468-V470 PolarHBondContact O-N 3.17Å; V470-L472 VanDerWaalsContact C-N 3.35Å; V470-L472 PolarHBondContact O-N 3.09Å; V470-S473 PolarHBondContact O-N 3.35Å; V470-S473 VanDerWaalsContact O-N 3.14Å; V470-V474 HydrophobicContact CG1-CG2 3.96Å; V470-V474 WeakPolarHBondContact O-CB 3.49Å; V470-V474 VanDerWaalsContact O-CG2 3.29Å; V470-V474 WeakPolarHBondContact O-CG2 3.35Å; V470-V474 PolarHBondContact O-N 2.88Å
471A96.3Very high96.4Very high3 Ų334.1 Ų34.13%0.02517%0.173CC..Hα-helixtrans-54-49.6177.100000112D467 Y468 S473 V474 G475 S498 I501D467-A471 PolarHBondContact O-N 3.17Å; D467-A471 VanDerWaalsContact O-N 3.09Å; Y468-A471 WeakPolarHBondContact O-CB 3.29Å; Y468-A471 PolarHBondContact O-N 3.06Å; Y468-A471 VanDerWaalsContact O-N 3.13Å; A471-S473 PolarHBondContact O-N 3.34Å; A471-V474 PolarHBondContact O-N 2.92Å; A471-G475 PolarHBondContact O-N 3.09Å; A471-S498 PolarHBondContact O-OG 3.36Å; A471-I501 HydrophobicContact CB-CB 3.83Å; A471-I501 HydrophobicContact CB-CD1 4.11Å; A471-I501 HydrophobicContact CB-CG2 3.72Å
472L95.2Very high96.4Very high51 Ų5127.6 Ų27.627%0.26714%0.142SC..Hα-helixtrans-56.2-47175.8-72.3-177.5000112.8Y468 V470 V474 G475 H476Y468-L472 HydrophobicContact CD1-CD1 4.3Å; Y468-L472 HydrophobicContact CD2-CG 4.3Å; Y468-L472 HydrophobicContact CE1-CD1 3.54Å; Y468-L472 HydrophobicContact CE1-CG 4.06Å; Y468-L472 HydrophobicContact CE2-CD1 4.11Å; Y468-L472 HydrophobicContact CE2-CD2 3.84Å; Y468-L472 HydrophobicContact CE2-CG 3.73Å; Y468-L472 VanDerWaalsContact CZ-CD1 3.46Å; Y468-L472 PolarHBondContact O-N 3.48Å; Y468-L472 WeakPolarHBondContact OH-CD1 3.28Å; V470-L472 VanDerWaalsContact C-N 3.35Å; V470-L472 PolarHBondContact O-N 3.09Å; L472-V474 VanDerWaalsContact C-N 3.35Å; L472-G475 PolarHBondContact O-N 3.37Å; L472-H476 PolarHBondContact O-N 3.12Å; L472-H476 VanDerWaalsContact O-N 3.16Å; L472-H476 PolarHBondContact O-ND1 3.24Å
473S97.6Very high96.5Very high3 Ų329.2 Ų29.22%0.02114%0.144CC..Hα-helixtrans-67.3-37.2-179.4-71.80000112.3K459 E469 V470 A471 H476 L477K459-S473 WeakPolarHBondContact CE-OG 3.37Å; K459-S473 PolarHBondContact NZ-OG 3.25Å; E469-S473 PolarHBondContact O-N 3.31Å; E469-S473 PolarHBondContact O-OG 2.85Å; V470-S473 PolarHBondContact O-N 3.35Å; V470-S473 VanDerWaalsContact O-N 3.14Å; A471-S473 PolarHBondContact O-N 3.34Å; S473-H476 PolarHBondContact O-N 3.37Å; S473-L477 PolarHBondContact O-N 2.8Å; S473-L477 VanDerWaalsContact O-N 3.12Å
474V98.3Very high96.7Very high0 Ų029.7 Ų29.70%015%0.147CC..Hα-helixtrans-66.5-42.9177164.50000111.1I456 V470 A471 L472 H476 L477 A478 L494 R497I456-V474 HydrophobicContact CD1-CG2 3.99Å; I456-V474 HydrophobicContact CG1-CG2 4.24Å; I456-V474 HydrophobicContact CG2-CG2 4.31Å; V470-V474 HydrophobicContact CG1-CG2 3.96Å; V470-V474 WeakPolarHBondContact O-CB 3.49Å; V470-V474 VanDerWaalsContact O-CG2 3.29Å; V470-V474 WeakPolarHBondContact O-CG2 3.35Å; V470-V474 PolarHBondContact O-N 2.88Å; A471-V474 PolarHBondContact O-N 2.92Å; L472-V474 VanDerWaalsContact C-N 3.35Å; V474-H476 PolarHBondContact O-N 3.42Å; V474-L477 PolarHBondContact O-N 3.49Å; V474-A478 PolarHBondContact O-N 2.83Å; V474-L494 HydrophobicContact CG1-CB 3.75Å; V474-L494 HydrophobicContact CG1-CD2 3.78Å; V474-L494 HydrophobicContact CG1-CG 4.31Å; V474-L494 VanDerWaalsContact CG1-O 3.22Å; V474-L494 WeakPolarHBondContact CG1-O 3.46Å; V474-R497 HydrophobicContact CG1-CB 4.38Å; V474-R497 HydrophobicContact CG1-CG 4.5Å
475G97.8Very high96.8Very high2 Ų230.5 Ų30.52%0.02114%0.143CC..Hα-helixtrans-62.5-38.4175.500000113.1A471 L472 A478 S479A471-G475 PolarHBondContact O-N 3.09Å; L472-G475 PolarHBondContact O-N 3.37Å; G475-A478 WeakPolarHBondContact O-CB 3.34Å; G475-A478 PolarHBondContact O-N 3.13Å; G475-S479 PolarHBondContact O-N 2.87Å
476H97.7Very high96.8Very high35 Ų3530.1 Ų30.116%0.16215%0.145CC..Hα-helixtrans-65.9-41.7173.5-64.1148.3000112.5R437 L472 S473 V474 A478 S479 L480R437-H476 HydrophobicContact CG-CB 4.44Å; L472-H476 PolarHBondContact O-N 3.12Å; L472-H476 VanDerWaalsContact O-N 3.16Å; L472-H476 PolarHBondContact O-ND1 3.24Å; S473-H476 PolarHBondContact O-N 3.37Å; V474-H476 PolarHBondContact O-N 3.42Å; H476-A478 VanDerWaalsContact C-N 3.32Å; H476-A478 PolarHBondContact O-N 3.03Å; H476-S479 VanDerWaalsContact O-CB 3.29Å; H476-S479 WeakPolarHBondContact O-CB 3.43Å; H476-S479 PolarHBondContact O-N 3.28Å; H476-L480 PolarHBondContact O-N 3.26Å; H476-L480 VanDerWaalsContact O-N 3.14Å
477L98.7Very high97Very high8 Ų828.3 Ų28.34%0.04214%0.137CC..Hα-helixtrans-63.7-39.2174.5-178.258.5000111.7E449 H452 I453 I456 S473 V474 S479 L480 Y481 L494E449-L477 HydrophobicContact CG-CD1 4.28Å; H452-L477 HydrophobicContact CB-CB 4.12Å; H452-L477 HydrophobicContact CB-CD1 3.91Å; H452-L477 HydrophobicContact CB-CG 4.45Å; I453-L477 HydrophobicContact CG1-CD2 4.07Å; I456-L477 HydrophobicContact CD1-CB 4.12Å; I456-L477 HydrophobicContact CD1-CD2 3.72Å; S473-L477 PolarHBondContact O-N 2.8Å; S473-L477 VanDerWaalsContact O-N 3.12Å; V474-L477 PolarHBondContact O-N 3.49Å; L477-S479 PolarHBondContact O-N 3.23Å; L477-L480 HydrophobicContact CD1-CD2 4.18Å; L477-L480 WeakPolarHBondContact O-CB 3.43Å; L477-L480 PolarHBondContact O-N 3.23Å; L477-Y481 HydrophobicContact CD1-CD1 4.37Å; L477-Y481 HydrophobicContact CD1-CE1 3.88Å; L477-Y481 HydrophobicContact CD1-CE2 4.15Å; L477-Y481 HydrophobicContact CD2-CE2 4.24Å; L477-Y481 HydrophobicContact CG-CD2 4.37Å; L477-Y481 HydrophobicContact CG-CE2 3.94Å; L477-Y481 PolarHBondContact O-N 3.43Å; L477-Y481 VanDerWaalsContact O-N 3.08Å; L477-L494 HydrophobicContact CB-CD1 4.21Å; L477-L494 HydrophobicContact CD2-CD1 3.92Å; L477-L494 HydrophobicContact CG-CD1 3.8Å
478A98.6Very high97.2Very high0 Ų029.5 Ų29.50%014%0.139CC..Hα-helixtrans-58.1-39.8173.900000111.8V474 G475 H476 Y481 N482 A491 L494 Y495V474-A478 PolarHBondContact O-N 2.83Å; G475-A478 WeakPolarHBondContact O-CB 3.34Å; G475-A478 PolarHBondContact O-N 3.13Å; H476-A478 VanDerWaalsContact C-N 3.32Å; H476-A478 PolarHBondContact O-N 3.03Å; A478-Y481 PolarHBondContact O-N 3.01Å; A478-N482 VanDerWaalsContact O-CB 3.23Å; A478-N482 WeakPolarHBondContact O-CB 3.42Å; A478-N482 PolarHBondContact O-N 3.13Å; A478-A491 WeakPolarHBondContact O-CB 3.42Å; A478-L494 HydrophobicContact CB-CB 3.6Å; A478-L494 HydrophobicContact CB-CD1 4.48Å; A478-Y495 HydrophobicContact CB-CD1 3.58Å; A478-Y495 HydrophobicContact CB-CD2 3.76Å; A478-Y495 HydrophobicContact CB-CE1 3.63Å; A478-Y495 HydrophobicContact CB-CE2 3.81Å; A478-Y495 HydrophobicContact CB-CG 3.65Å
479S97.9Very high97.5Very high7 Ų734.8 Ų34.85%0.04917%0.166CC..Hα-helixtrans-61.6-48175.4-168.70000112.6G475 H476 L477 Y481 N482 Y483 Y495 Y515G475-S479 PolarHBondContact O-N 2.87Å; H476-S479 VanDerWaalsContact O-CB 3.29Å; H476-S479 WeakPolarHBondContact O-CB 3.43Å; H476-S479 PolarHBondContact O-N 3.28Å; L477-S479 PolarHBondContact O-N 3.23Å; S479-Y481 VanDerWaalsContact C-N 3.3Å; S479-Y481 PolarHBondContact O-N 3.29Å; S479-N482 PolarHBondContact O-N 2.81Å; S479-Y483 WeakPolarHBondContact O-CB 3.29Å; S479-Y483 WeakPolarHBondContact O-CD2 3.13Å; S479-Y483 PolarHBondContact O-N 2.91Å; S479-Y495 WeakPolarHBondContact CA-OH 3.44Å; S479-Y495 PolarHBondContact N-OH 3.34Å; S479-Y515 WeakPolarHBondContact CB-OH 3.38Å; S479-Y515 PolarHBondContact OG-OH 3.37Å
480L98.4Very high97.6Very high0 Ų036.2 Ų36.20%017%0.174CC..Hα-helixtrans-55.7-45.9175.1177.667.5000111.9Q440 F445 A448 E449 H476 L477 N482 D484 M485Q440-L480 HydrophobicContact CB-CD1 4.13Å; Q440-L480 HydrophobicContact CG-CD1 3.76Å; F445-L480 HydrophobicContact CB-CD1 4.07Å; F445-L480 HydrophobicContact CD1-CD1 3.72Å; F445-L480 HydrophobicContact CG-CD1 4.28Å; A448-L480 HydrophobicContact CB-CD1 4.09Å; A448-L480 HydrophobicContact CB-CD2 3.86Å; E449-L480 HydrophobicContact CB-CD2 3.72Å; H476-L480 PolarHBondContact O-N 3.26Å; H476-L480 VanDerWaalsContact O-N 3.14Å; L477-L480 HydrophobicContact CD1-CD2 4.18Å; L477-L480 WeakPolarHBondContact O-CB 3.43Å; L477-L480 PolarHBondContact O-N 3.23Å; L480-N482 PolarHBondContact O-N 3.23Å; L480-D484 HydrophobicContact CD1-CB 4.2Å; L480-D484 PolarHBondContact O-N 3.05Å; L480-D484 VanDerWaalsContact O-N 3.13Å; L480-M485 HydrophobicContact CD1-CG 4.49Å; L480-M485 HydrophobicContact CD1-SD 4.48Å; L480-M485 HydrophobicContact CD2-SD 4.1Å; L480-M485 HydrophobicContact CG-CG 4.31Å; L480-M485 HydrophobicContact CG-SD 3.94Å; L480-M485 PolarHBondContact O-N 3.42Å; L480-M485 VanDerWaalsContact O-N 3.13Å
481Y98.7Very high97.7Very high22 Ų2236.2 Ų36.29%0.08617%0.174CC..Hα-helixtrans-64.8-39.3178.4-72.3-12.1000113.5E449 L477 A478 S479 M485 N486 Q487 D490 L494E449-Y481 HydrophobicContact CG-CE1 4.11Å; E449-Y481 WeakPolarHBondContact OE1-CE1 3.5Å; E449-Y481 VanDerWaalsContact OE1-CZ 3.28Å; E449-Y481 PolarHBondContact OE1-OH 2.97Å; L477-Y481 HydrophobicContact CD1-CD1 4.37Å; L477-Y481 HydrophobicContact CD1-CE1 3.88Å; L477-Y481 HydrophobicContact CD1-CE2 4.15Å; L477-Y481 HydrophobicContact CD2-CE2 4.24Å; L477-Y481 HydrophobicContact CG-CD2 4.37Å; L477-Y481 HydrophobicContact CG-CE2 3.94Å; L477-Y481 PolarHBondContact O-N 3.43Å; L477-Y481 VanDerWaalsContact O-N 3.08Å; A478-Y481 PolarHBondContact O-N 3.01Å; S479-Y481 VanDerWaalsContact C-N 3.3Å; S479-Y481 PolarHBondContact O-N 3.29Å; Y481-M485 HydrophobicContact CD1-CB 4.44Å; Y481-M485 HydrophobicContact CD1-SD 3.79Å; Y481-M485 HydrophobicContact CE1-SD 3.91Å; Y481-N486 PolarHBondContact O-N 3.27Å; Y481-Q487 HydrophobicContact CD1-CB 4.48Å; Y481-Q487 HydrophobicContact CG-CB 4.19Å; Y481-Q487 PolarHBondContact O-N 3.16Å; Y481-D490 HydrophobicContact CD2-CB 3.7Å; Y481-D490 HydrophobicContact CE2-CB 3.99Å; Y481-L494 HydrophobicContact CD2-CD1 3.73Å; Y481-L494 HydrophobicContact CE2-CD1 3.74Å
482N98.1Very high97.8Very high1 Ų138.8 Ų38.81%0.00519%0.186CC..Hα-helixtrans-74.3-50.5-178.2-174.519.3000112.8A478 S479 L480 Y488 A491 Y495 G519 L523A478-N482 VanDerWaalsContact O-CB 3.23Å; A478-N482 WeakPolarHBondContact O-CB 3.42Å; A478-N482 PolarHBondContact O-N 3.13Å; S479-N482 PolarHBondContact O-N 2.81Å; L480-N482 PolarHBondContact O-N 3.23Å; N482-Y488 WeakPolarHBondContact O-CE1 3.43Å; N482-A491 HydrophobicContact CB-CB 3.87Å; N482-Y495 HydrophobicContact CB-CE2 3.99Å; N482-G519 PolarHBondContact ND2-O 3.5Å; N482-L523 WeakPolarHBondContact OD1-CA 3.31Å; N482-L523 WeakPolarHBondContact OD1-CB 3.31Å
483Y96.6Very high98Very high106 Ų10644 Ų4442%0.41620%0.201SC..Hα-helixtrans-85.8-32.1-169.5-75.4-94.5000113S479 K522S479-Y483 WeakPolarHBondContact O-CB 3.29Å; S479-Y483 WeakPolarHBondContact O-CD2 3.13Å; S479-Y483 PolarHBondContact O-N 2.91Å; Y483-K522 HydrophobicContact CD1-CG 4.37Å; Y483-K522 HydrophobicContact CE1-CB 4.43Å; Y483-K522 HydrophobicContact CE1-CD 4.38Å; Y483-K522 HydrophobicContact CE1-CG 3.73Å; Y483-K522 HydrophobicContact CE2-CG 4.45Å
484D97.2Very high98Very high54 Ų5445.3 Ų45.329%0.28921%0.208SC..THydrogen-bonded Turntrans-121.4-32.3-166.6-58.6-70.3000114.1Q440 F445 L480Q440-D484 WeakPolarHBondContact CG-OD2 3.47Å; Q440-D484 PolarHBondContact NE2-OD2 3.27Å; F445-D484 HydrophobicContact CD1-CB 3.61Å; F445-D484 HydrophobicContact CD2-CB 4.3Å; F445-D484 HydrophobicContact CE1-CB 3.42Å; F445-D484 VanDerWaalsContact CE1-CB 3.42Å; F445-D484 WeakPolarHBondContact CE1-OD1 3.45Å; F445-D484 HydrophobicContact CE2-CB 4.13Å; F445-D484 HydrophobicContact CG-CB 4.06Å; F445-D484 HydrophobicContact CZ-CB 3.69Å; F445-D484 WeakPolarHBondContact CZ-OD1 3.36Å; L480-D484 HydrophobicContact CD1-CB 4.2Å; L480-D484 PolarHBondContact O-N 3.05Å; L480-D484 VanDerWaalsContact O-N 3.13Å
485M97.4Very high98Very high47 Ų4745.3 Ų45.323%0.23221%0.208CC..SBendtrans-103.3-6.9-175.7-56.4-175.473.800114.7F445 E449 L480 Y481 Q487F445-M485 HydrophobicContact CB-CG 4.33Å; E449-M485 WeakPolarHBondContact OE2-CE 3.49Å; L480-M485 HydrophobicContact CD1-CG 4.49Å; L480-M485 HydrophobicContact CD1-SD 4.48Å; L480-M485 HydrophobicContact CD2-SD 4.1Å; L480-M485 HydrophobicContact CG-CG 4.31Å; L480-M485 HydrophobicContact CG-SD 3.94Å; L480-M485 PolarHBondContact O-N 3.42Å; L480-M485 VanDerWaalsContact O-N 3.13Å; Y481-M485 HydrophobicContact CD1-CB 4.44Å; Y481-M485 HydrophobicContact CD1-SD 3.79Å; Y481-M485 HydrophobicContact CE1-SD 3.91Å; M485-Q487 HydrophobicContact CB-CG 4.2Å; M485-Q487 PolarHBondContact O-N 3.37Å
486N96.5Very high98.1Very high103 Ų10348.5 Ų48.555%0.55122%0.224SC*.  trans56.230.1-177.5-56.9-80.6000114.1Y481 Y488Y481-N486 PolarHBondContact O-N 3.27Å; N486-Y488 HydrophobicContact CB-CE2 4Å; N486-Y488 PolarHBondContact O-N 3.42Å; N486-Y488 PolarHBondContact OD1-OH 3Å
487Q97.9Very high98.1Very high61 Ų6150.2 Ų50.229%0.28523%0.229SC..  trans-95.768.6177.5-65-177.128.900110Y481 M485 E489 D490 A491Y481-Q487 HydrophobicContact CD1-CB 4.48Å; Y481-Q487 HydrophobicContact CG-CB 4.19Å; Y481-Q487 PolarHBondContact O-N 3.16Å; M485-Q487 HydrophobicContact CB-CG 4.2Å; M485-Q487 PolarHBondContact O-N 3.37Å; Q487-E489 PolarHBondContact O-N 3.23Å; Q487-D490 HydrophobicContact CB-CB 4.39Å; Q487-D490 PolarHBondContact O-N 2.84Å; Q487-A491 WeakPolarHBondContact O-CB 3.27Å; Q487-A491 PolarHBondContact O-N 3.13Å
488Y98.1Very high98.1Very high52 Ų5250.2 Ų50.220%0.20423%0.23CC..Hα-helixtrans-65.9-38-168.8-58.3-63.2000113.7N482 N486 D490 A491 E492 L523 V527N482-Y488 WeakPolarHBondContact O-CE1 3.43Å; N486-Y488 HydrophobicContact CB-CE2 4Å; N486-Y488 PolarHBondContact O-N 3.42Å; N486-Y488 PolarHBondContact OD1-OH 3Å; Y488-D490 VanDerWaalsContact C-N 3.34Å; Y488-D490 PolarHBondContact O-N 3.17Å; Y488-A491 PolarHBondContact O-N 3.19Å; Y488-E492 WeakPolarHBondContact O-CB 3.48Å; Y488-E492 PolarHBondContact O-N 3.5Å; Y488-L523 HydrophobicContact CD1-CG 3.96Å; Y488-L523 HydrophobicContact CG-CG 4.46Å; Y488-L523 WeakPolarHBondContact O-CD1 3.46Å; Y488-V527 HydrophobicContact CD1-CG1 4.49Å; Y488-V527 HydrophobicContact CD2-CG1 3.67Å; Y488-V527 HydrophobicContact CE2-CG1 4.35Å; Y488-V527 HydrophobicContact CG-CG1 3.75Å
489E98Very high98Very high149 Ų14950.8 Ų50.870%0.69623%0.233SC*.Hα-helixtrans-65.8-36.7178.8-65.9-178.1-174.300112.7Q487 R493Q487-E489 PolarHBondContact O-N 3.23Å; E489-R493 WeakPolarHBondContact O-CG 3.19Å; E489-R493 PolarHBondContact O-N 3.45Å; E489-R493 PolarHBondContact O-NE 3.48Å
490D98.2Very high98Very high56 Ų5653.2 Ų53.230%0.29925%0.253SS..Hα-helixtrans-72.3-43.9175.6-67.3-48.1000111Y481 Q487 Y488 E492 R493 L494Y481-D490 HydrophobicContact CD2-CB 3.7Å; Y481-D490 HydrophobicContact CE2-CB 3.99Å; Q487-D490 HydrophobicContact CB-CB 4.39Å; Q487-D490 PolarHBondContact O-N 2.84Å; Y488-D490 VanDerWaalsContact C-N 3.34Å; Y488-D490 PolarHBondContact O-N 3.17Å; D490-E492 PolarHBondContact O-N 3.31Å; D490-R493 PolarHBondContact O-N 3.23Å; D490-R493 IonicContact OD1-CZ 3.15Å; D490-R493 IonicContact OD1-NE 3.22Å; D490-R493 IonicContact OD1-NH2 3.41Å; D490-R493 PolarHBondContact OD1-NH2 3.33Å; D490-L494 VanDerWaalsContact O-CG 3.32Å; D490-L494 WeakPolarHBondContact O-CG 3.35Å; D490-L494 PolarHBondContact O-N 2.93Å
491A98.5Very high97.9Very high0 Ų053.2 Ų53.20%025%0.253CS..Hα-helixtrans-58-46.5175.700000112.5A478 N482 Q487 Y488 R493 L494 Y495 L523A478-A491 WeakPolarHBondContact O-CB 3.42Å; N482-A491 HydrophobicContact CB-CB 3.87Å; Q487-A491 WeakPolarHBondContact O-CB 3.27Å; Q487-A491 PolarHBondContact O-N 3.13Å; Y488-A491 PolarHBondContact O-N 3.19Å; A491-R493 PolarHBondContact O-N 3.44Å; A491-L494 PolarHBondContact O-N 2.94Å; A491-Y495 HydrophobicContact CB-CD2 4.43Å; A491-Y495 HydrophobicContact CB-CE2 4.36Å; A491-Y495 WeakPolarHBondContact O-CD2 3.34Å; A491-Y495 PolarHBondContact O-N 2.69Å; A491-L523 HydrophobicContact CB-CD1 3.74Å
492E98.5Very high97.7Very high58 Ų5852.3 Ų52.327%0.27125%0.25SS..Hα-helixtrans-58.9-47.4179.1-176.6179.5-16600111Y488 D490 L494 Y495 L496 L520 L523 Y524Y488-E492 WeakPolarHBondContact O-CB 3.48Å; Y488-E492 PolarHBondContact O-N 3.5Å; D490-E492 PolarHBondContact O-N 3.31Å; E492-L494 VanDerWaalsContact C-N 3.33Å; E492-L494 PolarHBondContact O-N 2.85Å; E492-Y495 PolarHBondContact O-N 3.37Å; E492-L496 HydrophobicContact CG-CD1 3.95Å; E492-L496 HydrophobicContact CG-CG 4.43Å; E492-L496 WeakPolarHBondContact O-CB 3.47Å; E492-L496 VanDerWaalsContact O-CG 3.25Å; E492-L496 WeakPolarHBondContact O-CG 3.47Å; E492-L496 PolarHBondContact O-N 3.03Å; E492-L520 HydrophobicContact CB-CD2 4.46Å; E492-L520 HydrophobicContact CG-CD2 4.12Å; E492-L523 HydrophobicContact CB-CD1 3.87Å; E492-L523 HydrophobicContact CB-CD2 4.44Å; E492-Y524 WeakPolarHBondContact OE1-CE1 3.32Å; E492-Y524 VanDerWaalsContact OE1-CZ 3.24Å; E492-Y524 PolarHBondContact OE1-OH 2.88Å
493R98.6Very high97.5Very high159 Ų15955.8 Ų55.860%0.627%0.265SS*.Hα-helixtrans-58.9-43.4177.7-74.9-174.6-79178.9-9.9112.2E489 D490 A491 R497E489-R493 WeakPolarHBondContact O-CG 3.19Å; E489-R493 PolarHBondContact O-N 3.45Å; E489-R493 PolarHBondContact O-NE 3.48Å; D490-R493 PolarHBondContact O-N 3.23Å; D490-R493 IonicContact OD1-CZ 3.15Å; D490-R493 IonicContact OD1-NE 3.22Å; D490-R493 IonicContact OD1-NH2 3.41Å; D490-R493 PolarHBondContact OD1-NH2 3.33Å; A491-R493 PolarHBondContact O-N 3.44Å; R493-R497 WeakPolarHBondContact O-CB 3.45Å; R493-R497 PolarHBondContact O-N 3.41Å; R493-R497 VanDerWaalsContact O-N 3.08Å
494L98.6Very high97.3Very high31 Ų3157.4 Ų57.416%0.16228%0.275CS..Hα-helixtrans-70.5-43.7-179.8-66.6176.3000112V474 L477 A478 Y481 D490 A491 E492 L496 R497 S498V474-L494 HydrophobicContact CG1-CB 3.75Å; V474-L494 HydrophobicContact CG1-CD2 3.78Å; V474-L494 HydrophobicContact CG1-CG 4.31Å; V474-L494 VanDerWaalsContact CG1-O 3.22Å; V474-L494 WeakPolarHBondContact CG1-O 3.46Å; L477-L494 HydrophobicContact CB-CD1 4.21Å; L477-L494 HydrophobicContact CD2-CD1 3.92Å; L477-L494 HydrophobicContact CG-CD1 3.8Å; A478-L494 HydrophobicContact CB-CB 3.6Å; A478-L494 HydrophobicContact CB-CD1 4.48Å; Y481-L494 HydrophobicContact CD2-CD1 3.73Å; Y481-L494 HydrophobicContact CE2-CD1 3.74Å; D490-L494 VanDerWaalsContact O-CG 3.32Å; D490-L494 WeakPolarHBondContact O-CG 3.35Å; D490-L494 PolarHBondContact O-N 2.93Å; A491-L494 PolarHBondContact O-N 2.94Å; E492-L494 VanDerWaalsContact C-N 3.33Å; E492-L494 PolarHBondContact O-N 2.85Å; L494-L496 PolarHBondContact O-N 3.44Å; L494-R497 WeakPolarHBondContact O-CB 3.5Å; L494-R497 PolarHBondContact O-N 3.33Å; L494-S498 PolarHBondContact O-N 3.49Å
495Y98.6Very high97Very high1 Ų157.1 Ų57.10%0.00427%0.273CS..Hα-helixtrans-59.9-47.4174.8-79.4-52.8000112A478 S479 N482 A491 E492 R497 S498 I499 Y515 D516 G519 L520 L523A478-Y495 HydrophobicContact CB-CD1 3.58Å; A478-Y495 HydrophobicContact CB-CD2 3.76Å; A478-Y495 HydrophobicContact CB-CE1 3.63Å; A478-Y495 HydrophobicContact CB-CE2 3.81Å; A478-Y495 HydrophobicContact CB-CG 3.65Å; S479-Y495 WeakPolarHBondContact CA-OH 3.44Å; S479-Y495 PolarHBondContact N-OH 3.34Å; N482-Y495 HydrophobicContact CB-CE2 3.99Å; A491-Y495 HydrophobicContact CB-CD2 4.43Å; A491-Y495 HydrophobicContact CB-CE2 4.36Å; A491-Y495 WeakPolarHBondContact O-CD2 3.34Å; A491-Y495 PolarHBondContact O-N 2.69Å; E492-Y495 PolarHBondContact O-N 3.37Å; Y495-R497 VanDerWaalsContact C-N 3.26Å; Y495-R497 PolarHBondContact O-N 2.99Å; Y495-S498 PolarHBondContact O-N 2.94Å; Y495-I499 WeakPolarHBondContact O-CB 3.32Å; Y495-I499 WeakPolarHBondContact O-CD1 3.43Å; Y495-I499 VanDerWaalsContact O-CG1 3.3Å; Y495-I499 WeakPolarHBondContact O-CG1 3.43Å; Y495-I499 PolarHBondContact O-N 2.99Å; Y495-Y515 HydrophobicContact CE1-CE1 4.44Å; Y495-D516 HydrophobicContact CD1-CB 3.86Å; Y495-D516 WeakPolarHBondContact CD1-OD1 3.46Å; Y495-G519 WeakPolarHBondContact OH-CA 3.47Å; Y495-L520 HydrophobicContact CD2-CD2 3.95Å; Y495-L520 HydrophobicContact CD2-CG 4.22Å; Y495-L520 HydrophobicContact CG-CD2 4.2Å; Y495-L520 HydrophobicContact CG-CG 4.19Å; Y495-L523 HydrophobicContact CD2-CD1 4.43Å
496L98.4Very high96.5Very high68 Ų6857 Ų5736%0.35627%0.271SS..Hα-helixtrans-60.9-37.2177.9-70.5175000111.9E492 L494 A500 L520 Y536E492-L496 HydrophobicContact CG-CD1 3.95Å; E492-L496 HydrophobicContact CG-CG 4.43Å; E492-L496 WeakPolarHBondContact O-CB 3.47Å; E492-L496 VanDerWaalsContact O-CG 3.25Å; E492-L496 WeakPolarHBondContact O-CG 3.47Å; E492-L496 PolarHBondContact O-N 3.03Å; L494-L496 PolarHBondContact O-N 3.44Å; L496-A500 VanDerWaalsContact O-CB 3.3Å; L496-A500 WeakPolarHBondContact O-CB 3.37Å; L496-A500 PolarHBondContact O-N 3.08Å; L496-L520 HydrophobicContact CD2-CD1 4.01Å; L496-Y536 VanDerWaalsContact CD2-OH 3.29Å; L496-Y536 WeakPolarHBondContact CD2-OH 3.45Å
497R98.1Very high96.1Very high72 Ų7253.5 Ų53.527%0.27226%0.259SS..Hα-helixtrans-63.8-48.2173.5-178.8179.9174.6-159.8-5111.8E460 H465 V474 R493 L494 Y495 A500 I501E460-R497 IonicContact OE1-CZ 3.77Å; E460-R497 VanDerWaalsContact OE1-CZ 3.24Å; E460-R497 IonicContact OE1-NH1 2.61Å; E460-R497 PolarHBondContact OE1-NH1 3.29Å; E460-R497 IonicContact OE1-NH2 3.37Å; E460-R497 PolarHBondContact OE1-NH2 2.88Å; H465-R497 PolarHBondContact O-NH2 3.37Å; V474-R497 HydrophobicContact CG1-CB 4.38Å; V474-R497 HydrophobicContact CG1-CG 4.5Å; R493-R497 WeakPolarHBondContact O-CB 3.45Å; R493-R497 PolarHBondContact O-N 3.41Å; R493-R497 VanDerWaalsContact O-N 3.08Å; L494-R497 WeakPolarHBondContact O-CB 3.5Å; L494-R497 PolarHBondContact O-N 3.33Å; Y495-R497 VanDerWaalsContact C-N 3.26Å; Y495-R497 PolarHBondContact O-N 2.99Å; R497-A500 PolarHBondContact O-N 3.41Å; R497-I501 HydrophobicContact CG-CD1 4.14Å; R497-I501 WeakPolarHBondContact O-CG1 3.2Å; R497-I501 PolarHBondContact O-N 3.23Å; R497-I501 VanDerWaalsContact O-N 3.13Å
498S98.2Very high95.7Very high7 Ų755 Ų555%0.04927%0.266CS..Hα-helixtrans-58-48.4176.8179.10000111.5A471 L494 Y495 A500 I501 G502 D516A471-S498 PolarHBondContact O-OG 3.36Å; L494-S498 PolarHBondContact O-N 3.49Å; Y495-S498 PolarHBondContact O-N 2.94Å; S498-A500 PolarHBondContact O-N 2.98Å; S498-I501 PolarHBondContact O-N 2.87Å; S498-G502 PolarHBondContact O-N 3.34Å; S498-D516 WeakPolarHBondContact CB-OD2 3.03Å; S498-D516 PolarHBondContact OG-OD2 2.89Å
499I98.1Very high95.1Very high13 Ų1352.8 Ų52.87%0.06726%0.259CS..Hα-helixtrans-59.1-45.6177.4-70.7162.1000111.5Y495 I501 G502 K503 L513 D516 Y517 L520Y495-I499 WeakPolarHBondContact O-CB 3.32Å; Y495-I499 WeakPolarHBondContact O-CD1 3.43Å; Y495-I499 VanDerWaalsContact O-CG1 3.3Å; Y495-I499 WeakPolarHBondContact O-CG1 3.43Å; Y495-I499 PolarHBondContact O-N 2.99Å; I499-I501 VanDerWaalsContact C-N 3.35Å; I499-I501 PolarHBondContact O-N 2.87Å; I499-G502 PolarHBondContact O-N 2.95Å; I499-K503 HydrophobicContact CG2-CD 3.62Å; I499-K503 HydrophobicContact CG2-CG 4.24Å; I499-K503 WeakPolarHBondContact O-CB 3.47Å; I499-K503 VanDerWaalsContact O-CG 3.32Å; I499-K503 WeakPolarHBondContact O-CG 3.08Å; I499-K503 PolarHBondContact O-N 3.28Å; I499-L513 HydrophobicContact CB-CD2 4.42Å; I499-L513 HydrophobicContact CG1-CD2 4.41Å; I499-L513 HydrophobicContact CG2-CD2 4.32Å; I499-D516 HydrophobicContact CD1-CB 3.7Å; I499-D516 HydrophobicContact CG1-CB 3.45Å; I499-D516 VanDerWaalsContact CG1-CB 3.45Å; I499-Y517 HydrophobicContact CD1-CD1 3.73Å; I499-Y517 HydrophobicContact CD1-CE1 3.74Å; I499-Y517 HydrophobicContact CG1-CD1 4.32Å; I499-Y517 HydrophobicContact CG1-CE1 4.03Å; I499-Y517 HydrophobicContact CG2-CE1 3.93Å; I499-L520 HydrophobicContact CD1-CD1 3.5Å; I499-L520 VanDerWaalsContact CD1-CD1 3.5Å
500A97.8Very high94.7Very high57 Ų5746.7 Ų46.747%0.47123%0.23SC..Hα-helixtrans-60.9-44.2-179.300000111.7L496 R497 S498 K504L496-A500 VanDerWaalsContact O-CB 3.3Å; L496-A500 WeakPolarHBondContact O-CB 3.37Å; L496-A500 PolarHBondContact O-N 3.08Å; R497-A500 PolarHBondContact O-N 3.41Å; S498-A500 PolarHBondContact O-N 2.98Å; A500-K504 VanDerWaalsContact O-CB 3.3Å; A500-K504 WeakPolarHBondContact O-CB 3.15Å; A500-K504 PolarHBondContact O-N 2.88Å; A500-K504 VanDerWaalsContact O-N 3.15Å
501I96.4Very high94.1Very high1 Ų145.5 Ų45.51%0.00523%0.226CC..Hα-helixtrans-66.3-48.1176.2-62.9166.6000110.4H465 E466 A471 R497 S498 I499 K503 K504 L505H465-I501 WeakPolarHBondContact O-CD1 3.3Å; E466-I501 VanDerWaalsContact O-CG2 3.29Å; E466-I501 WeakPolarHBondContact O-CG2 3.35Å; A471-I501 HydrophobicContact CB-CB 3.83Å; A471-I501 HydrophobicContact CB-CD1 4.11Å; A471-I501 HydrophobicContact CB-CG2 3.72Å; R497-I501 HydrophobicContact CG-CD1 4.14Å; R497-I501 WeakPolarHBondContact O-CG1 3.2Å; R497-I501 PolarHBondContact O-N 3.23Å; R497-I501 VanDerWaalsContact O-N 3.13Å; S498-I501 PolarHBondContact O-N 2.87Å; I499-I501 VanDerWaalsContact C-N 3.35Å; I499-I501 PolarHBondContact O-N 2.87Å; I501-K503 PolarHBondContact O-N 2.98Å; I501-K504 PolarHBondContact O-N 3.13Å; I501-L505 HydrophobicContact CG2-CD1 3.76Å; I501-L505 HydrophobicContact CG2-CG 4.31Å; I501-L505 WeakPolarHBondContact O-CG 3.46Å; I501-L505 PolarHBondContact O-N 2.94Å
502G93.9Very high93.5Very high2 Ų246.5 Ų46.52%0.02124%0.236CC..Hα-helixtrans-56.9-49.3179.900000112.6S498 I499 K504 L505 F506S498-G502 PolarHBondContact O-N 3.34Å; I499-G502 PolarHBondContact O-N 2.95Å; G502-K504 VanDerWaalsContact C-N 3.34Å; G502-K504 PolarHBondContact O-N 2.86Å; G502-L505 PolarHBondContact O-N 3.1Å; G502-F506 PolarHBondContact O-N 3.34Å
503K93.9Very high93.3Very high75 Ų7543.8 Ų43.833%0.32622%0.224SC..Hα-helixtrans-60.5-42176.8-74.8172.757129.10112.6I499 I501 L505 G507 E508 L513I499-K503 HydrophobicContact CG2-CD 3.62Å; I499-K503 HydrophobicContact CG2-CG 4.24Å; I499-K503 WeakPolarHBondContact O-CB 3.47Å; I499-K503 VanDerWaalsContact O-CG 3.32Å; I499-K503 WeakPolarHBondContact O-CG 3.08Å; I499-K503 PolarHBondContact O-N 3.28Å; I501-K503 PolarHBondContact O-N 2.98Å; K503-L505 VanDerWaalsContact C-N 3.34Å; K503-L505 PolarHBondContact O-N 3.45Å; K503-G507 WeakPolarHBondContact O-CA 3.37Å; K503-G507 PolarHBondContact O-N 3.34Å; K503-E508 VanDerWaalsContact CE-CD 3.42Å; K503-E508 WeakPolarHBondContact CE-OE1 3.44Å; K503-E508 WeakPolarHBondContact CE-OE2 3.42Å; K503-E508 IonicContact NZ-OE1 2.71Å; K503-E508 PolarHBondContact NZ-OE1 3.06Å; K503-E508 IonicContact NZ-OE2 3.79Å; K503-E508 PolarHBondContact NZ-OE2 3.08Å; K503-L513 HydrophobicContact CG-CD1 3.85Å; K503-L513 HydrophobicContact CG-CD2 4.16Å
504K93Very high93Very high140 Ų14038.8 Ų38.861%0.60921%0.207SC*.Hα-helixtrans-64.6-37179.9177.9179.8170.8-175.70112.5E466 A500 I501 G502E466-K504 IonicContact OE2-NZ 3.02Å; E466-K504 PolarHBondContact OE2-NZ 3.42Å; A500-K504 VanDerWaalsContact O-CB 3.3Å; A500-K504 WeakPolarHBondContact O-CB 3.15Å; A500-K504 PolarHBondContact O-N 2.88Å; A500-K504 VanDerWaalsContact O-N 3.15Å; I501-K504 PolarHBondContact O-N 3.13Å; G502-K504 VanDerWaalsContact C-N 3.34Å; G502-K504 PolarHBondContact O-N 2.86Å
505L90.1Very high92.7Very high47 Ų4741.3 Ų41.325%0.24622%0.215CC..Hα-helixtrans-90.2-35.6-174.9-64.8-179.1000113.9R260 I501 G502 K503R260-L505 HydrophobicContact CG-CD1 4.48Å; R260-L505 HydrophobicContact CG-CD2 4.28Å; I501-L505 HydrophobicContact CG2-CD1 3.76Å; I501-L505 HydrophobicContact CG2-CG 4.31Å; I501-L505 WeakPolarHBondContact O-CG 3.46Å; I501-L505 PolarHBondContact O-N 2.94Å; G502-L505 PolarHBondContact O-N 3.1Å; K503-L505 VanDerWaalsContact C-N 3.34Å; K503-L505 PolarHBondContact O-N 3.45Å
506F86.6Confident92.7Very high45 Ų4541.5 Ų41.520%0.19722%0.216CC..Hα-helixtrans-121.9-10.5-171.1-57.1-86.7000113.8F262 Y468 G502 Y510F262-F506 AromaticContact CE2-CD1 3.83Å; F262-F506 HydrophobicContact CE2-CD1 3.83Å; F262-F506 AromaticContact CE2-CE1 3.78Å; F262-F506 HydrophobicContact CE2-CE1 3.78Å; F262-F506 AromaticContact CZ-CD1 3.95Å; F262-F506 HydrophobicContact CZ-CD1 3.95Å; F262-F506 AromaticContact CZ-CE1 3.43Å; F262-F506 HydrophobicContact CZ-CE1 3.43Å; F262-F506 VanDerWaalsContact CZ-CE1 3.43Å; F262-F506 HydrophobicContact CZ-CZ 4.26Å; Y468-F506 HydrophobicContact CD1-CZ 4.3Å; Y468-F506 HydrophobicContact CD2-CD2 4.36Å; Y468-F506 AromaticContact CD2-CE2 3.27Å; Y468-F506 HydrophobicContact CD2-CE2 3.27Å; Y468-F506 AromaticContact CD2-CZ 3.63Å; Y468-F506 HydrophobicContact CD2-CZ 3.63Å; Y468-F506 AromaticContact CE2-CE2 3.78Å; Y468-F506 HydrophobicContact CE2-CE2 3.78Å; Y468-F506 AromaticContact CE2-CZ 3.97Å; Y468-F506 HydrophobicContact CE2-CZ 3.97Å; Y468-F506 AromaticContact CG-CE2 3.76Å; Y468-F506 HydrophobicContact CG-CE2 3.76Å; Y468-F506 AromaticContact CG-CZ 3.77Å; Y468-F506 HydrophobicContact CG-CZ 3.77Å; G502-F506 PolarHBondContact O-N 3.34Å; F506-Y510 HydrophobicContact CB-CD1 4.25Å; F506-Y510 HydrophobicContact CB-CD2 3.91Å; F506-Y510 HydrophobicContact CB-CG 3.63Å; F506-Y510 HydrophobicContact CD1-CD2 4.27Å; F506-Y510 HydrophobicContact CD2-CD1 4.12Å; F506-Y510 HydrophobicContact CD2-CD2 4.41Å; F506-Y510 HydrophobicContact CD2-CE1 4.3Å; F506-Y510 HydrophobicContact CD2-CG 4.21Å; F506-Y510 HydrophobicContact CG-CD1 4.35Å; F506-Y510 AromaticContact CG-CD2 3.96Å; F506-Y510 HydrophobicContact CG-CD2 3.96Å; F506-Y510 HydrophobicContact CG-CE2 4.41Å; F506-Y510 AromaticContact CG-CG 3.97Å; F506-Y510 HydrophobicContact CG-CG 3.97Å
507G88.7Confident92.6Very high29 Ų2938.6 Ų38.630%0.29920%0.2SC..  trans85.5-177.6-176.200000113.9K503 G509K503-G507 WeakPolarHBondContact O-CA 3.37Å; K503-G507 PolarHBondContact O-N 3.34Å; G507-G509 VanDerWaalsContact C-N 3.26Å; G507-G509 PolarHBondContact O-N 2.93Å
508E89.5Confident92.6Very high94 Ų9441.2 Ų41.244%0.43921%0.21SC..THydrogen-bonded Turntrans-71.9-16.4-173.9-59-70.9175.500113.9K503 W543 L546K503-E508 VanDerWaalsContact CE-CD 3.42Å; K503-E508 WeakPolarHBondContact CE-OE1 3.44Å; K503-E508 WeakPolarHBondContact CE-OE2 3.42Å; K503-E508 IonicContact NZ-OE1 2.71Å; K503-E508 PolarHBondContact NZ-OE1 3.06Å; K503-E508 IonicContact NZ-OE2 3.79Å; K503-E508 PolarHBondContact NZ-OE2 3.08Å; E508-W543 VanDerWaalsContact O-CD1 3.23Å; E508-L546 HydrophobicContact CB-CD1 4.07Å
509G85.9Confident92.5Very high5 Ų541 Ų415%0.05221%0.209CC..THydrogen-bonded Turntrans-96.111.8-176.500000114.5G507 R547G507-G509 VanDerWaalsContact C-N 3.26Å; G507-G509 PolarHBondContact O-N 2.93Å; G509-R547 WeakPolarHBondContact O-CD 3.43Å
510Y88.6Confident92.5Very high21 Ų2140.3 Ų40.38%0.08221%0.205CC..  trans-74.5134.9-175.5172.8-125.5000113D302 Y468 F506 G512 L513 W543D302-Y510 HydrophobicContact CB-CD2 4.39Å; Y468-Y510 HydrophobicContact CE2-CE1 4.1Å; Y468-Y510 AromaticContact CE2-CZ 3.79Å; Y468-Y510 VanDerWaalsContact CE2-OH 3.24Å; Y468-Y510 WeakPolarHBondContact CE2-OH 3.37Å; Y468-Y510 PolarHBondContact OH-OH 3.4Å; F506-Y510 HydrophobicContact CB-CD1 4.25Å; F506-Y510 HydrophobicContact CB-CD2 3.91Å; F506-Y510 HydrophobicContact CB-CG 3.63Å; F506-Y510 HydrophobicContact CD1-CD2 4.27Å; F506-Y510 HydrophobicContact CD2-CD1 4.12Å; F506-Y510 HydrophobicContact CD2-CD2 4.41Å; F506-Y510 HydrophobicContact CD2-CE1 4.3Å; F506-Y510 HydrophobicContact CD2-CG 4.21Å; F506-Y510 HydrophobicContact CG-CD1 4.35Å; F506-Y510 AromaticContact CG-CD2 3.96Å; F506-Y510 HydrophobicContact CG-CD2 3.96Å; F506-Y510 HydrophobicContact CG-CE2 4.41Å; F506-Y510 AromaticContact CG-CG 3.97Å; F506-Y510 HydrophobicContact CG-CG 3.97Å; Y510-G512 VanDerWaalsContact CE1-CA 3.42Å; Y510-G512 PolarHBondContact O-N 2.64Å; Y510-L513 HydrophobicContact CD1-CD2 4.43Å; Y510-L513 HydrophobicContact CD1-CG 4.01Å; Y510-L513 WeakPolarHBondContact O-CB 3.5Å; Y510-L513 PolarHBondContact O-N 2.81Å; Y510-W543 PolarHBondContact O-NE1 2.86Å
511S85.9Confident92.6Very high31 Ų3138.5 Ų38.522%0.21719%0.188CC..THydrogen-bonded Turntrans-53.4-46.2-179.145.30000114D302 L513 E514 R547D302-S511 WeakPolarHBondContact OD1-CB 3.39Å; D302-S511 PolarHBondContact OD1-OG 3.26Å; D302-S511 WeakPolarHBondContact OD2-CB 3.48Å; D302-S511 PolarHBondContact OD2-N 3.12Å; D302-S511 PolarHBondContact OD2-OG 3.19Å; S511-L513 PolarHBondContact O-N 2.89Å; S511-L513 VanDerWaalsContact O-N 3.1Å; S511-E514 WeakPolarHBondContact O-CB 3.31Å; S511-E514 PolarHBondContact O-N 3.12Å; S511-E514 VanDerWaalsContact O-N 3.1Å; S511-R547 VanDerWaalsContact CB-NH1 3.29Å
512G87Confident92.6Very high21 Ų2142.8 Ų42.822%0.21621%0.206CC..THydrogen-bonded Turntrans-63.4-19.8-173.800000114Y510 E514 Y515Y510-G512 VanDerWaalsContact CE1-CA 3.42Å; Y510-G512 PolarHBondContact O-N 2.64Å; G512-E514 PolarHBondContact O-N 3.24Å; G512-Y515 PolarHBondContact O-N 3.27Å
513L93Very high92.8Very high1 Ų142.8 Ų42.81%0.00521%0.206CC..Hα-helixtrans-65.3-26.7176.7-61.3176.9000112.5I499 K503 Y510 S511 Y515 D516 Y517I499-L513 HydrophobicContact CB-CD2 4.42Å; I499-L513 HydrophobicContact CG1-CD2 4.41Å; I499-L513 HydrophobicContact CG2-CD2 4.32Å; K503-L513 HydrophobicContact CG-CD1 3.85Å; K503-L513 HydrophobicContact CG-CD2 4.16Å; Y510-L513 HydrophobicContact CD1-CD2 4.43Å; Y510-L513 HydrophobicContact CD1-CG 4.01Å; Y510-L513 WeakPolarHBondContact O-CB 3.5Å; Y510-L513 PolarHBondContact O-N 2.81Å; S511-L513 PolarHBondContact O-N 2.89Å; S511-L513 VanDerWaalsContact O-N 3.1Å; L513-Y515 VanDerWaalsContact C-N 3.29Å; L513-Y515 PolarHBondContact O-N 3.28Å; L513-D516 PolarHBondContact O-N 3Å; L513-Y517 HydrophobicContact CB-CD2 4.11Å; L513-Y517 HydrophobicContact CB-CE2 3.58Å; L513-Y517 HydrophobicContact CD1-CE2 4.43Å; L513-Y517 WeakPolarHBondContact O-CB 3.49Å; L513-Y517 WeakPolarHBondContact O-CD2 3.43Å; L513-Y517 PolarHBondContact O-N 3.19Å
514E93.3Very high93Very high54 Ų5439.5 Ų39.525%0.25219%0.191SC..Hα-helixtrans-57.9-44.1178.2175.9170.5-160.800111.9S511 G512 D516 Y517 R518 L540 W543S511-E514 WeakPolarHBondContact O-CB 3.31Å; S511-E514 PolarHBondContact O-N 3.12Å; S511-E514 VanDerWaalsContact O-N 3.1Å; G512-E514 PolarHBondContact O-N 3.24Å; E514-D516 PolarHBondContact O-N 2.89Å; E514-Y517 PolarHBondContact O-N 2.99Å; E514-R518 HydrophobicContact CG-CG 4.36Å; E514-R518 WeakPolarHBondContact O-CB 3.29Å; E514-R518 VanDerWaalsContact O-CG 3.3Å; E514-R518 WeakPolarHBondContact O-CG 3.47Å; E514-R518 PolarHBondContact O-N 2.94Å; E514-R518 IonicContact OE1-CZ 2.71Å; E514-R518 VanDerWaalsContact OE1-CZ 3.22Å; E514-R518 IonicContact OE1-NE 2.65Å; E514-R518 PolarHBondContact OE1-NE 3.22Å; E514-R518 IonicContact OE1-NH2 3.88Å; E514-R518 PolarHBondContact OE1-NH2 3.41Å; E514-L540 HydrophobicContact CB-CD1 4.44Å; E514-L540 HydrophobicContact CG-CD1 4.02Å; E514-W543 HydrophobicContact CB-CE3 4.39Å; E514-W543 HydrophobicContact CB-CH2 3.55Å; E514-W543 HydrophobicContact CB-CZ2 3.77Å; E514-W543 HydrophobicContact CB-CZ3 3.84Å; E514-W543 HydrophobicContact CG-CH2 4.01Å; E514-W543 HydrophobicContact CG-CZ3 3.97Å; E514-W543 WeakPolarHBondContact OE2-CH2 3.36Å
515Y92.9Very high93.2Very high83 Ų8336.8 Ų36.833%0.32518%0.183SC..Hα-helixtrans-59.4-48.7-179.2-175.9-92.6000110.9S479 Y495 G512 L513 R518 G519S479-Y515 WeakPolarHBondContact CB-OH 3.38Å; S479-Y515 PolarHBondContact OG-OH 3.37Å; Y495-Y515 HydrophobicContact CE1-CE1 4.44Å; G512-Y515 PolarHBondContact O-N 3.27Å; L513-Y515 VanDerWaalsContact C-N 3.29Å; L513-Y515 PolarHBondContact O-N 3.28Å; Y515-R518 PolarHBondContact O-N 3.37Å; Y515-G519 PolarHBondContact O-N 3.45Å
516D96.6Very high93.6Very high6 Ų636.9 Ų36.93%0.03219%0.188CC..Hα-helixtrans-69.1-39.7-178.7-63.7-30.6000112Y495 S498 I499 L513 E514 G519 L520Y495-D516 HydrophobicContact CD1-CB 3.86Å; Y495-D516 WeakPolarHBondContact CD1-OD1 3.46Å; S498-D516 WeakPolarHBondContact CB-OD2 3.03Å; S498-D516 PolarHBondContact OG-OD2 2.89Å; I499-D516 HydrophobicContact CD1-CB 3.7Å; I499-D516 HydrophobicContact CG1-CB 3.45Å; I499-D516 VanDerWaalsContact CG1-CB 3.45Å; L513-D516 PolarHBondContact O-N 3Å; E514-D516 PolarHBondContact O-N 2.89Å; D516-G519 PolarHBondContact O-N 3.23Å; D516-L520 PolarHBondContact O-N 3.26Å
517Y97.6Very high94.1Very high7 Ų738.4 Ų38.43%0.02720%0.201CC..Hα-helixtrans-63.5-43176-65.9-31.8000112.3I499 L513 E514 G519 L520 I521 Y536 V539 L540 W543I499-Y517 HydrophobicContact CD1-CD1 3.73Å; I499-Y517 HydrophobicContact CD1-CE1 3.74Å; I499-Y517 HydrophobicContact CG1-CD1 4.32Å; I499-Y517 HydrophobicContact CG1-CE1 4.03Å; I499-Y517 HydrophobicContact CG2-CE1 3.93Å; L513-Y517 HydrophobicContact CB-CD2 4.11Å; L513-Y517 HydrophobicContact CB-CE2 3.58Å; L513-Y517 HydrophobicContact CD1-CE2 4.43Å; L513-Y517 WeakPolarHBondContact O-CB 3.49Å; L513-Y517 WeakPolarHBondContact O-CD2 3.43Å; L513-Y517 PolarHBondContact O-N 3.19Å; E514-Y517 PolarHBondContact O-N 2.99Å; Y517-G519 VanDerWaalsContact C-N 3.3Å; Y517-G519 PolarHBondContact O-N 2.95Å; Y517-L520 PolarHBondContact O-N 3.39Å; Y517-I521 VanDerWaalsContact O-CG1 3.3Å; Y517-I521 WeakPolarHBondContact O-CG1 3.29Å; Y517-I521 PolarHBondContact O-N 2.88Å; Y517-Y536 AromaticContact CD1-CD1 3.94Å; Y517-Y536 HydrophobicContact CD1-CD1 3.94Å; Y517-Y536 HydrophobicContact CD1-CE1 4.05Å; Y517-Y536 HydrophobicContact CE1-CE1 4.39Å; Y517-V539 HydrophobicContact CD1-CG1 4Å; Y517-V539 HydrophobicContact CD2-CG1 4.02Å; Y517-V539 HydrophobicContact CE1-CG1 3.68Å; Y517-V539 HydrophobicContact CE2-CG1 3.69Å; Y517-V539 HydrophobicContact CG-CG1 4.17Å; Y517-L540 HydrophobicContact CD2-CD1 4.4Å; Y517-W543 HydrophobicContact CE2-CB 4.26Å; Y517-W543 HydrophobicContact CE2-CG 4.26Å
518R96.8Very high94.5Very high127 Ų12738.7 Ų38.748%0.47920%0.204SC..Hα-helixtrans-63.5-39.5174.6-72.6177.4179.6-83.42.6111.4E514 Y515 I521 K522 L540E514-R518 HydrophobicContact CG-CG 4.36Å; E514-R518 WeakPolarHBondContact O-CB 3.29Å; E514-R518 VanDerWaalsContact O-CG 3.3Å; E514-R518 WeakPolarHBondContact O-CG 3.47Å; E514-R518 PolarHBondContact O-N 2.94Å; E514-R518 IonicContact OE1-CZ 2.71Å; E514-R518 VanDerWaalsContact OE1-CZ 3.22Å; E514-R518 IonicContact OE1-NE 2.65Å; E514-R518 PolarHBondContact OE1-NE 3.22Å; E514-R518 IonicContact OE1-NH2 3.88Å; E514-R518 PolarHBondContact OE1-NH2 3.41Å; Y515-R518 PolarHBondContact O-N 3.37Å; R518-I521 PolarHBondContact O-N 3.39Å; R518-K522 WeakPolarHBondContact O-CB 3.44Å; R518-K522 PolarHBondContact O-N 3.44Å; R518-L540 HydrophobicContact CG-CD2 3.97Å
519G97.4Very high94.9Very high1 Ų137.2 Ų37.21%0.0120%0.199CC..Hα-helixtrans-55.9-51.2172.100000112.3N482 Y495 Y515 D516 Y517 I521 K522 L523N482-G519 PolarHBondContact ND2-O 3.5Å; Y495-G519 WeakPolarHBondContact OH-CA 3.47Å; Y515-G519 PolarHBondContact O-N 3.45Å; D516-G519 PolarHBondContact O-N 3.23Å; Y517-G519 VanDerWaalsContact C-N 3.3Å; Y517-G519 PolarHBondContact O-N 2.95Å; G519-I521 PolarHBondContact O-N 2.94Å; G519-K522 PolarHBondContact O-N 2.86Å; G519-L523 WeakPolarHBondContact O-CB 3.3Å; G519-L523 PolarHBondContact O-N 3.28Å
520L98.4Very high95.4Very high0 Ų044.7 Ų44.70%023%0.227CC..Hα-helixtrans-63-41.5177.5-73.3177.1000113E492 Y495 L496 I499 D516 Y517 K522 L523 Y524 Y536E492-L520 HydrophobicContact CB-CD2 4.46Å; E492-L520 HydrophobicContact CG-CD2 4.12Å; Y495-L520 HydrophobicContact CD2-CD2 3.95Å; Y495-L520 HydrophobicContact CD2-CG 4.22Å; Y495-L520 HydrophobicContact CG-CD2 4.2Å; Y495-L520 HydrophobicContact CG-CG 4.19Å; L496-L520 HydrophobicContact CD2-CD1 4.01Å; I499-L520 HydrophobicContact CD1-CD1 3.5Å; I499-L520 VanDerWaalsContact CD1-CD1 3.5Å; D516-L520 PolarHBondContact O-N 3.26Å; Y517-L520 PolarHBondContact O-N 3.39Å; L520-K522 VanDerWaalsContact C-N 3.32Å; L520-K522 PolarHBondContact O-N 3.09Å; L520-L523 HydrophobicContact CD2-CD1 4.42Å; L520-L523 WeakPolarHBondContact O-CB 3.4Å; L520-L523 PolarHBondContact O-N 3.02Å; L520-Y524 HydrophobicContact CB-CD2 4.32Å; L520-Y524 HydrophobicContact CB-CE2 4.05Å; L520-Y524 HydrophobicContact CD2-CE2 4.23Å; L520-Y524 WeakPolarHBondContact O-CD2 3.37Å; L520-Y524 PolarHBondContact O-N 2.92Å; L520-Y536 HydrophobicContact CB-CD1 4.28Å; L520-Y536 HydrophobicContact CB-CD2 4.45Å; L520-Y536 HydrophobicContact CB-CE1 4.38Å; L520-Y536 HydrophobicContact CB-CG 4.32Å; L520-Y536 HydrophobicContact CD1-CD1 4.1Å; L520-Y536 HydrophobicContact CD1-CE1 3.42Å; L520-Y536 VanDerWaalsContact CD1-CE1 3.42Å; L520-Y536 HydrophobicContact CD1-CE2 4.22Å; L520-Y536 VanDerWaalsContact CD1-CZ 3.48Å
521I98.3Very high95.8Very high19 Ų1951.3 Ų51.310%0.09726%0.259CS..Hα-helixtrans-57.4-48174.6-70.6164000110.6Y517 R518 G519 L523 N525 V533 H537 L540Y517-I521 VanDerWaalsContact O-CG1 3.3Å; Y517-I521 WeakPolarHBondContact O-CG1 3.29Å; Y517-I521 PolarHBondContact O-N 2.88Å; R518-I521 PolarHBondContact O-N 3.39Å; G519-I521 PolarHBondContact O-N 2.94Å; I521-L523 VanDerWaalsContact C-N 3.34Å; I521-L523 PolarHBondContact O-N 2.92Å; I521-N525 WeakPolarHBondContact O-CB 3.48Å; I521-N525 PolarHBondContact O-N 3.28Å; I521-V533 HydrophobicContact CG2-CG1 4.4Å; I521-H537 WeakPolarHBondContact CG2-NE2 3.45Å; I521-L540 HydrophobicContact CD1-CB 4.38Å; I521-L540 HydrophobicContact CD1-CD2 3.97Å
522K97.8Very high96.4Very high91 Ų9152.7 Ų52.740%0.39626%0.261SS..Hα-helixtrans-60.5-46178.1174.861.2175170.10111.3Y483 R518 G519 L520 N525 S526Y483-K522 HydrophobicContact CD1-CG 4.37Å; Y483-K522 HydrophobicContact CE1-CB 4.43Å; Y483-K522 HydrophobicContact CE1-CD 4.38Å; Y483-K522 HydrophobicContact CE1-CG 3.73Å; Y483-K522 HydrophobicContact CE2-CG 4.45Å; R518-K522 WeakPolarHBondContact O-CB 3.44Å; R518-K522 PolarHBondContact O-N 3.44Å; G519-K522 PolarHBondContact O-N 2.86Å; L520-K522 VanDerWaalsContact C-N 3.32Å; L520-K522 PolarHBondContact O-N 3.09Å; K522-N525 PolarHBondContact O-N 3.36Å; K522-S526 PolarHBondContact O-N 3.07Å; K522-S526 PolarHBondContact O-OG 3.46Å
523L98.2Very high96.9Very high2 Ų252.6 Ų52.61%0.0126%0.256CS..Hα-helixtrans-57.7-54.8179.5-176.7159.3000111.1N482 Y488 A491 E492 Y495 G519 L520 I521 N525 S526 V527N482-L523 WeakPolarHBondContact OD1-CA 3.31Å; N482-L523 WeakPolarHBondContact OD1-CB 3.31Å; Y488-L523 HydrophobicContact CD1-CG 3.96Å; Y488-L523 HydrophobicContact CG-CG 4.46Å; Y488-L523 WeakPolarHBondContact O-CD1 3.46Å; A491-L523 HydrophobicContact CB-CD1 3.74Å; E492-L523 HydrophobicContact CB-CD1 3.87Å; E492-L523 HydrophobicContact CB-CD2 4.44Å; Y495-L523 HydrophobicContact CD2-CD1 4.43Å; G519-L523 WeakPolarHBondContact O-CB 3.3Å; G519-L523 PolarHBondContact O-N 3.28Å; L520-L523 HydrophobicContact CD2-CD1 4.42Å; L520-L523 WeakPolarHBondContact O-CB 3.4Å; L520-L523 PolarHBondContact O-N 3.02Å; I521-L523 VanDerWaalsContact C-N 3.34Å; I521-L523 PolarHBondContact O-N 2.92Å; L523-N525 VanDerWaalsContact C-N 3.26Å; L523-N525 PolarHBondContact O-N 2.84Å; L523-S526 WeakPolarHBondContact O-CB 3.33Å; L523-S526 PolarHBondContact O-N 3.48Å; L523-V527 HydrophobicContact CD2-CG2 4.45Å; L523-V527 PolarHBondContact O-N 3.07Å; L523-V527 VanDerWaalsContact O-N 3.08Å
524Y98.4Very high97.2Very high6 Ų659.1 Ų59.12%0.02428%0.284CS..Hα-helixtrans-64.3-32.4-178.3-68.4-55.8000112.9E492 L520 V527 G528 N529 K532 Y536E492-Y524 WeakPolarHBondContact OE1-CE1 3.32Å; E492-Y524 VanDerWaalsContact OE1-CZ 3.24Å; E492-Y524 PolarHBondContact OE1-OH 2.88Å; L520-Y524 HydrophobicContact CB-CD2 4.32Å; L520-Y524 HydrophobicContact CB-CE2 4.05Å; L520-Y524 HydrophobicContact CD2-CE2 4.23Å; L520-Y524 WeakPolarHBondContact O-CD2 3.37Å; L520-Y524 PolarHBondContact O-N 2.92Å; Y524-V527 HydrophobicContact CD1-CG2 4.38Å; Y524-V527 PolarHBondContact O-N 3.15Å; Y524-G528 PolarHBondContact O-N 3.4Å; Y524-G528 VanDerWaalsContact O-N 3.08Å; Y524-N529 HydrophobicContact CD1-CB 4.15Å; Y524-N529 PolarHBondContact O-N 2.97Å; Y524-K532 HydrophobicContact CD1-CB 3.65Å; Y524-K532 HydrophobicContact CD1-CG 4.03Å; Y524-K532 HydrophobicContact CD2-CB 3.51Å; Y524-K532 HydrophobicContact CD2-CG 4.37Å; Y524-K532 HydrophobicContact CE1-CB 3.93Å; Y524-K532 HydrophobicContact CE1-CD 4.2Å; Y524-K532 HydrophobicContact CE1-CG 3.85Å; Y524-K532 HydrophobicContact CE2-CB 3.79Å; Y524-K532 HydrophobicContact CE2-CD 3.99Å; Y524-K532 HydrophobicContact CE2-CG 4.2Å; Y524-K532 HydrophobicContact CG-CB 3.42Å; Y524-K532 VanDerWaalsContact CG-CB 3.42Å; Y524-K532 HydrophobicContact CG-CG 4.28Å; Y524-Y536 AromaticContact CD2-CD2 3.92Å; Y524-Y536 HydrophobicContact CD2-CD2 3.92Å; Y524-Y536 HydrophobicContact CD2-CE2 4.25Å; Y524-Y536 AromaticContact CE2-CD2 3.51Å; Y524-Y536 HydrophobicContact CE2-CD2 3.51Å; Y524-Y536 AromaticContact CE2-CE2 3.37Å; Y524-Y536 HydrophobicContact CE2-CE2 3.37Å
525N97.3Very high97.4Very high82 Ų8260.3 Ų60.344%0.43929%0.29SS..Hα-helixtrans-65.4-42.6172.6-166.937.4000111.3I521 K522 L523 V527 G528 V533I521-N525 WeakPolarHBondContact O-CB 3.48Å; I521-N525 PolarHBondContact O-N 3.28Å; K522-N525 PolarHBondContact O-N 3.36Å; L523-N525 VanDerWaalsContact C-N 3.26Å; L523-N525 PolarHBondContact O-N 2.84Å; N525-V527 VanDerWaalsContact C-N 3.32Å; N525-V527 PolarHBondContact O-N 3.29Å; N525-G528 PolarHBondContact O-N 3.39Å; N525-V533 HydrophobicContact CB-CG2 3.94Å; N525-V533 VanDerWaalsContact N-CG2 3.34Å
526S97.2Very high97.6Very high50 Ų5057.4 Ų57.435%0.3528%0.278SS..Hα-helixtrans-63-34.6177.3-64.10000113.1K522 L523K522-S526 PolarHBondContact O-N 3.07Å; K522-S526 PolarHBondContact O-OG 3.46Å; L523-S526 WeakPolarHBondContact O-CB 3.33Å; L523-S526 PolarHBondContact O-N 3.48Å
527V97.1Very high97.6Very high76 Ų7661.6 Ų61.646%0.46130%0.298SS..THydrogen-bonded Turntrans-90.92.1177.2-57.10000113.9Y488 L523 Y524 N525 N529Y488-V527 HydrophobicContact CD1-CG1 4.49Å; Y488-V527 HydrophobicContact CD2-CG1 3.67Å; Y488-V527 HydrophobicContact CE2-CG1 4.35Å; Y488-V527 HydrophobicContact CG-CG1 3.75Å; L523-V527 HydrophobicContact CD2-CG2 4.45Å; L523-V527 PolarHBondContact O-N 3.07Å; L523-V527 VanDerWaalsContact O-N 3.08Å; Y524-V527 HydrophobicContact CD1-CG2 4.38Å; Y524-V527 PolarHBondContact O-N 3.15Å; N525-V527 VanDerWaalsContact C-N 3.32Å; N525-V527 PolarHBondContact O-N 3.29Å; V527-N529 HydrophobicContact CG2-CB 4.16Å; V527-N529 PolarHBondContact O-N 2.84Å
528G97.1Very high97.6Very high36 Ų3664.6 Ų64.637%0.37131%0.314SS..THydrogen-bonded Turntrans73.618.1177.800000115.5Y524 N525 Y530Y524-G528 PolarHBondContact O-N 3.4Å; Y524-G528 VanDerWaalsContact O-N 3.08Å; N525-G528 PolarHBondContact O-N 3.39Å; G528-Y530 WeakPolarHBondContact O-CD2 3.48Å; G528-Y530 PolarHBondContact O-N 3.27Å
529N97.8Very high97.6Very high63 Ų6360.7 Ų60.734%0.33731%0.305SS..  trans-8876176.4-169.9-21000111Y524 V527 E531 K532 V533Y524-N529 HydrophobicContact CD1-CB 4.15Å; Y524-N529 PolarHBondContact O-N 2.97Å; V527-N529 HydrophobicContact CG2-CB 4.16Å; V527-N529 PolarHBondContact O-N 2.84Å; N529-E531 VanDerWaalsContact C-N 3.25Å; N529-E531 PolarHBondContact O-N 3.11Å; N529-K532 HydrophobicContact CB-CB 4.41Å; N529-K532 WeakPolarHBondContact ND2-CG 3.33Å; N529-K532 PolarHBondContact O-N 3.24Å; N529-K532 PolarHBondContact OD1-N 2.72Å; N529-V533 WeakPolarHBondContact O-CG2 3.24Å; N529-V533 PolarHBondContact O-N 3.3Å; N529-V533 VanDerWaalsContact O-N 3.14Å
530Y96.9Very high97.5Very high161 Ų16161.3 Ų61.363%0.63131%0.308SS*.Hα-helixtrans-66.3-23.4-175.7-60.2-71.1000114.4G528 V533 F534G528-Y530 WeakPolarHBondContact O-CD2 3.48Å; G528-Y530 PolarHBondContact O-N 3.27Å; Y530-V533 PolarHBondContact O-N 3.48Å; Y530-F534 PolarHBondContact O-N 3.49Å
531E98.1Very high97.3Very high161 Ų16163.7 Ų63.775%0.75232%0.324SS*.Hα-helixtrans-63-49.4173.5-176.3179.8-179.500110.4N529 V533 F534 E535N529-E531 VanDerWaalsContact C-N 3.25Å; N529-E531 PolarHBondContact O-N 3.11Å; E531-V533 PolarHBondContact O-N 2.95Å; E531-F534 PolarHBondContact O-N 3.31Å; E531-E535 PolarHBondContact O-N 3.46Å
532K97.7Very high97.1Very high60 Ų6066.8 Ų66.826%0.26134%0.341SS..Hα-helixtrans-65.9-35.4176.1-78.5-76.6174.3-161.80113Y524 N529 F534 E535 Y536Y524-K532 HydrophobicContact CD1-CB 3.65Å; Y524-K532 HydrophobicContact CD1-CG 4.03Å; Y524-K532 HydrophobicContact CD2-CB 3.51Å; Y524-K532 HydrophobicContact CD2-CG 4.37Å; Y524-K532 HydrophobicContact CE1-CB 3.93Å; Y524-K532 HydrophobicContact CE1-CD 4.2Å; Y524-K532 HydrophobicContact CE1-CG 3.85Å; Y524-K532 HydrophobicContact CE2-CB 3.79Å; Y524-K532 HydrophobicContact CE2-CD 3.99Å; Y524-K532 HydrophobicContact CE2-CG 4.2Å; Y524-K532 HydrophobicContact CG-CB 3.42Å; Y524-K532 VanDerWaalsContact CG-CB 3.42Å; Y524-K532 HydrophobicContact CG-CG 4.28Å; N529-K532 HydrophobicContact CB-CB 4.41Å; N529-K532 WeakPolarHBondContact ND2-CG 3.33Å; N529-K532 PolarHBondContact O-N 3.24Å; N529-K532 PolarHBondContact OD1-N 2.72Å; K532-F534 VanDerWaalsContact C-N 3.34Å; K532-F534 PolarHBondContact O-N 2.69Å; K532-E535 WeakPolarHBondContact CD-OE2 3.17Å; K532-E535 WeakPolarHBondContact CE-OE2 3.25Å; K532-E535 IonicContact NZ-OE1 2.96Å; K532-E535 PolarHBondContact NZ-OE1 3.37Å; K532-E535 IonicContact NZ-OE2 2.63Å; K532-E535 PolarHBondContact NZ-OE2 2.82Å; K532-E535 WeakPolarHBondContact O-CB 3.4Å; K532-E535 PolarHBondContact O-N 3.26Å; K532-Y536 HydrophobicContact CD-CD2 4.47Å; K532-Y536 HydrophobicContact CD-CE2 4.11Å; K532-Y536 WeakPolarHBondContact O-CD2 3.42Å; K532-Y536 PolarHBondContact O-N 2.97Å
533V98.1Very high96.9Very high18 Ų1862.9 Ų62.911%0.10932%0.324CS..Hα-helixtrans-57.7-48.3172.4170.90000110.7I521 N525 N529 Y530 E531 Y536 H537I521-V533 HydrophobicContact CG2-CG1 4.4Å; N525-V533 HydrophobicContact CB-CG2 3.94Å; N525-V533 VanDerWaalsContact N-CG2 3.34Å; N529-V533 WeakPolarHBondContact O-CG2 3.24Å; N529-V533 PolarHBondContact O-N 3.3Å; N529-V533 VanDerWaalsContact O-N 3.14Å; Y530-V533 PolarHBondContact O-N 3.48Å; E531-V533 PolarHBondContact O-N 2.95Å; V533-Y536 PolarHBondContact O-N 3.22Å; V533-H537 WeakPolarHBondContact O-CB 3.33Å; V533-H537 PolarHBondContact O-CD2 2.71Å; V533-H537 PolarHBondContact O-N 3.45Å
534F97.8Very high96.5Very high138 Ų13865.7 Ų65.761%0.60534%0.339SS*.Hα-helixtrans-63.6-42.5177.4-177.7-101.4000112.1Y530 E531 K532 H537 N538Y530-F534 PolarHBondContact O-N 3.49Å; E531-F534 PolarHBondContact O-N 3.31Å; K532-F534 VanDerWaalsContact C-N 3.34Å; K532-F534 PolarHBondContact O-N 2.69Å; F534-H537 PolarHBondContact O-N 3.13Å; F534-N538 WeakPolarHBondContact CD1-ND2 3.49Å; F534-N538 WeakPolarHBondContact CE1-ND2 3.32Å; F534-N538 WeakPolarHBondContact CZ-ND2 3.38Å; F534-N538 PolarHBondContact O-N 3.1Å; F534-N538 VanDerWaalsContact O-N 3.1Å; F534-N538 PolarHBondContact O-ND2 3.19Å; F534-N538 VanDerWaalsContact O-ND2 3.16Å
535E97.9Very high96.1Very high79 Ų7972.3 Ų72.337%0.36936%0.364SS..Hα-helixtrans-54.8-55174.7-175.2-172.6150.700111.4E531 K532 H537 N538 V539E531-E535 PolarHBondContact O-N 3.46Å; K532-E535 WeakPolarHBondContact CD-OE2 3.17Å; K532-E535 WeakPolarHBondContact CE-OE2 3.25Å; K532-E535 IonicContact NZ-OE1 2.96Å; K532-E535 PolarHBondContact NZ-OE1 3.37Å; K532-E535 IonicContact NZ-OE2 2.63Å; K532-E535 PolarHBondContact NZ-OE2 2.82Å; K532-E535 WeakPolarHBondContact O-CB 3.4Å; K532-E535 PolarHBondContact O-N 3.26Å; E535-H537 PolarHBondContact O-N 2.92Å; E535-N538 WeakPolarHBondContact O-CB 3.35Å; E535-N538 PolarHBondContact O-N 3.18Å; E535-N538 VanDerWaalsContact O-N 3.1Å; E535-V539 WeakPolarHBondContact O-CG2 3.01Å; E535-V539 PolarHBondContact O-N 2.64Å
536Y97.5Very high95.6Very high22 Ų2271.8 Ų71.89%0.08636%0.36CS..Hα-helixtrans-73.2-26.6-176.3-81.2-81.8000113.8L496 Y517 L520 Y524 K532 V533 N538 V539 L540L496-Y536 VanDerWaalsContact CD2-OH 3.29Å; L496-Y536 WeakPolarHBondContact CD2-OH 3.45Å; Y517-Y536 AromaticContact CD1-CD1 3.94Å; Y517-Y536 HydrophobicContact CD1-CD1 3.94Å; Y517-Y536 HydrophobicContact CD1-CE1 4.05Å; Y517-Y536 HydrophobicContact CE1-CE1 4.39Å; L520-Y536 HydrophobicContact CB-CD1 4.28Å; L520-Y536 HydrophobicContact CB-CD2 4.45Å; L520-Y536 HydrophobicContact CB-CE1 4.38Å; L520-Y536 HydrophobicContact CB-CG 4.32Å; L520-Y536 HydrophobicContact CD1-CD1 4.1Å; L520-Y536 HydrophobicContact CD1-CE1 3.42Å; L520-Y536 VanDerWaalsContact CD1-CE1 3.42Å; L520-Y536 HydrophobicContact CD1-CE2 4.22Å; L520-Y536 VanDerWaalsContact CD1-CZ 3.48Å; Y524-Y536 AromaticContact CD2-CD2 3.92Å; Y524-Y536 HydrophobicContact CD2-CD2 3.92Å; Y524-Y536 HydrophobicContact CD2-CE2 4.25Å; Y524-Y536 AromaticContact CE2-CD2 3.51Å; Y524-Y536 HydrophobicContact CE2-CD2 3.51Å; Y524-Y536 AromaticContact CE2-CE2 3.37Å; Y524-Y536 HydrophobicContact CE2-CE2 3.37Å; K532-Y536 HydrophobicContact CD-CD2 4.47Å; K532-Y536 HydrophobicContact CD-CE2 4.11Å; K532-Y536 WeakPolarHBondContact O-CD2 3.42Å; K532-Y536 PolarHBondContact O-N 2.97Å; V533-Y536 PolarHBondContact O-N 3.22Å; Y536-N538 VanDerWaalsContact C-N 3.31Å; Y536-V539 HydrophobicContact CD1-CB 4.4Å; Y536-V539 HydrophobicContact CD1-CG2 4.49Å; Y536-V539 PolarHBondContact O-N 2.94Å; Y536-L540 WeakPolarHBondContact O-CB 3.01Å; Y536-L540 PolarHBondContact O-N 2.87Å
537H97.6Very high94.9Very high94 Ų9472 Ų7244%0.43535%0.353SS..Hα-helixtrans-62-39.8166.9-86.7-59.9000112I521 V533 F534 E535 L540 S541I521-H537 WeakPolarHBondContact CG2-NE2 3.45Å; V533-H537 WeakPolarHBondContact O-CB 3.33Å; V533-H537 PolarHBondContact O-CD2 2.71Å; V533-H537 PolarHBondContact O-N 3.45Å; F534-H537 PolarHBondContact O-N 3.13Å; E535-H537 PolarHBondContact O-N 2.92Å; H537-L540 PolarHBondContact O-N 3.29Å; H537-S541 VanDerWaalsContact O-CB 3.32Å; H537-S541 WeakPolarHBondContact O-CB 3.4Å; H537-S541 PolarHBondContact O-N 2.82Å
538N97.1Very high94.1Very high71 Ų7174.6 Ų74.638%0.3837%0.365SS..Hα-helixtrans-67.4-41174.4-69.7-37.5000111.6F534 E535 Y536 S541 N542F534-N538 WeakPolarHBondContact CD1-ND2 3.49Å; F534-N538 WeakPolarHBondContact CE1-ND2 3.32Å; F534-N538 WeakPolarHBondContact CZ-ND2 3.38Å; F534-N538 PolarHBondContact O-N 3.1Å; F534-N538 VanDerWaalsContact O-N 3.1Å; F534-N538 PolarHBondContact O-ND2 3.19Å; F534-N538 VanDerWaalsContact O-ND2 3.16Å; E535-N538 WeakPolarHBondContact O-CB 3.35Å; E535-N538 PolarHBondContact O-N 3.18Å; E535-N538 VanDerWaalsContact O-N 3.1Å; Y536-N538 VanDerWaalsContact C-N 3.31Å; N538-S541 PolarHBondContact O-N 3.37Å; N538-N542 WeakPolarHBondContact O-CB 3.09Å; N538-N542 VanDerWaalsContact O-CG 3.28Å; N538-N542 PolarHBondContact O-N 3.31Å; N538-N542 PolarHBondContact O-ND2 3.3Å
539V96.5Very high93.2Very high45 Ų4582.2 Ų82.227%0.27338%0.382SS..Hα-helixtrans-57.2-50.9173.4173.50000110.5Y517 E535 Y536 S541 N542 W543Y517-V539 HydrophobicContact CD1-CG1 4Å; Y517-V539 HydrophobicContact CD2-CG1 4.02Å; Y517-V539 HydrophobicContact CE1-CG1 3.68Å; Y517-V539 HydrophobicContact CE2-CG1 3.69Å; Y517-V539 HydrophobicContact CG-CG1 4.17Å; E535-V539 WeakPolarHBondContact O-CG2 3.01Å; E535-V539 PolarHBondContact O-N 2.64Å; Y536-V539 HydrophobicContact CD1-CB 4.4Å; Y536-V539 HydrophobicContact CD1-CG2 4.49Å; Y536-V539 PolarHBondContact O-N 2.94Å; V539-S541 VanDerWaalsContact C-N 3.35Å; V539-S541 PolarHBondContact O-N 3.22Å; V539-N542 PolarHBondContact O-N 3.18Å; V539-W543 WeakPolarHBondContact O-CB 3.33Å; V539-W543 PolarHBondContact O-N 3.27Å
540L95.3Very high91.8Very high14 Ų1485.1 Ų85.17%0.07339%0.394CS..Hα-helixtrans-63.3-38.6179.6-176.963.6000112.3E514 Y517 R518 I521 Y536 H537 W543 N544E514-L540 HydrophobicContact CB-CD1 4.44Å; E514-L540 HydrophobicContact CG-CD1 4.02Å; Y517-L540 HydrophobicContact CD2-CD1 4.4Å; R518-L540 HydrophobicContact CG-CD2 3.97Å; I521-L540 HydrophobicContact CD1-CB 4.38Å; I521-L540 HydrophobicContact CD1-CD2 3.97Å; Y536-L540 WeakPolarHBondContact O-CB 3.01Å; Y536-L540 PolarHBondContact O-N 2.87Å; H537-L540 PolarHBondContact O-N 3.29Å; L540-W543 HydrophobicContact CD1-CD2 4.43Å; L540-W543 HydrophobicContact CD1-CE3 3.67Å; L540-W543 HydrophobicContact CD1-CZ3 4.11Å; L540-W543 PolarHBondContact O-N 2.81Å; L540-N544 PolarHBondContact O-N 3.04Å; L540-N544 PolarHBondContact O-ND2 3.38Å
541S94.6Very high90.3Very high49 Ų4980.9 Ų80.934%0.34338%0.379SS..Hα-helixtrans-65.5-42.2175.7-175.30000112.2H537 N538 V539 N544 R545H537-S541 VanDerWaalsContact O-CB 3.32Å; H537-S541 WeakPolarHBondContact O-CB 3.4Å; H537-S541 PolarHBondContact O-N 2.82Å; N538-S541 PolarHBondContact O-N 3.37Å; V539-S541 VanDerWaalsContact C-N 3.35Å; V539-S541 PolarHBondContact O-N 3.22Å; S541-N544 PolarHBondContact O-N 3.19Å; S541-R545 WeakPolarHBondContact O-CG 2.89Å; S541-R545 PolarHBondContact O-N 3.46Å
542N93.6Very high88.2Confident85 Ų8577.1 Ų77.146%0.45538%0.375SS..Hα-helixtrans-66.5-41.5175.4-72.7-26.5000111.8N538 V539 N544 R545 L546N538-N542 WeakPolarHBondContact O-CB 3.09Å; N538-N542 VanDerWaalsContact O-CG 3.28Å; N538-N542 PolarHBondContact O-N 3.31Å; N538-N542 PolarHBondContact O-ND2 3.3Å; V539-N542 PolarHBondContact O-N 3.18Å; N542-N544 PolarHBondContact O-N 2.93Å; N542-R545 PolarHBondContact O-N 3.28Å; N542-L546 WeakPolarHBondContact O-CG 3.45Å; N542-L546 PolarHBondContact O-N 3.25Å
543W93.9Very high86.2Confident8 Ų880.8 Ų80.83%0.0340%0.402CS..Hα-helixtrans-56.7-47.6173.7168.990000111.7E508 Y510 E514 Y517 V539 L540 R545 L546 R547E508-W543 VanDerWaalsContact O-CD1 3.23Å; Y510-W543 PolarHBondContact O-NE1 2.86Å; E514-W543 HydrophobicContact CB-CE3 4.39Å; E514-W543 HydrophobicContact CB-CH2 3.55Å; E514-W543 HydrophobicContact CB-CZ2 3.77Å; E514-W543 HydrophobicContact CB-CZ3 3.84Å; E514-W543 HydrophobicContact CG-CH2 4.01Å; E514-W543 HydrophobicContact CG-CZ3 3.97Å; E514-W543 WeakPolarHBondContact OE2-CH2 3.36Å; Y517-W543 HydrophobicContact CE2-CB 4.26Å; Y517-W543 HydrophobicContact CE2-CG 4.26Å; V539-W543 WeakPolarHBondContact O-CB 3.33Å; V539-W543 PolarHBondContact O-N 3.27Å; L540-W543 HydrophobicContact CD1-CD2 4.43Å; L540-W543 HydrophobicContact CD1-CE3 3.67Å; L540-W543 HydrophobicContact CD1-CZ3 4.11Å; L540-W543 PolarHBondContact O-N 2.81Å; W543-R545 VanDerWaalsContact C-N 3.34Å; W543-R545 PolarHBondContact O-N 3.05Å; W543-L546 WeakPolarHBondContact O-CB 3.23Å; W543-L546 PolarHBondContact O-N 2.8Å; W543-L546 VanDerWaalsContact O-N 3.14Å; W543-R547 HydrophobicContact CD2-CG 4.27Å; W543-R547 HydrophobicContact CH2-CG 4.35Å; W543-R547 HydrophobicContact CZ2-CG 3.77Å; W543-R547 WeakPolarHBondContact O-CG 3.42Å; W543-R547 PolarHBondContact O-N 2.86Å; W543-R547 VanDerWaalsContact O-N 3.08Å
544N89.8Confident84.7Confident61 Ų6183 Ų8333%0.32642%0.422SS..Hα-helixtrans-56.4-47.2176.1-83-62.9000111.7L540 S541 N542 L546 R547 D548L540-N544 PolarHBondContact O-N 3.04Å; L540-N544 PolarHBondContact O-ND2 3.38Å; S541-N544 PolarHBondContact O-N 3.19Å; N542-N544 PolarHBondContact O-N 2.93Å; N544-L546 VanDerWaalsContact C-N 3.3Å; N544-L546 PolarHBondContact O-N 3.17Å; N544-R547 PolarHBondContact O-N 3.38Å; N544-D548 PolarHBondContact O-N 3.23Å
545R88.8Confident83.8Confident146 Ų14679.6 Ų79.655%0.55141%0.41SS*.Hα-helixtrans-63-33.6178.5-69.8171.6176.6170.1-1.2113.3S541 N542 W543 R549S541-R545 WeakPolarHBondContact O-CG 2.89Å; S541-R545 PolarHBondContact O-N 3.46Å; N542-R545 PolarHBondContact O-N 3.28Å; W543-R545 VanDerWaalsContact C-N 3.34Å; W543-R545 PolarHBondContact O-N 3.05Å; R545-R549 WeakPolarHBondContact O-CG 3.36Å
546L87.4Confident83Confident70 Ų7076 Ų7637%0.36639%0.394SS..Hα-helixtrans-68.3-44.3176.4-73.3170000110.9E508 N542 W543 N544 R549 Q550E508-L546 HydrophobicContact CB-CD1 4.07Å; N542-L546 WeakPolarHBondContact O-CG 3.45Å; N542-L546 PolarHBondContact O-N 3.25Å; W543-L546 WeakPolarHBondContact O-CB 3.23Å; W543-L546 PolarHBondContact O-N 2.8Å; W543-L546 VanDerWaalsContact O-N 3.14Å; N544-L546 VanDerWaalsContact C-N 3.3Å; N544-L546 PolarHBondContact O-N 3.17Å; L546-R549 PolarHBondContact O-N 3.08Å; L546-Q550 PolarHBondContact O-N 3.31Å
547R83.4Confident82.1Confident55 Ų5577.1 Ų77.121%0.20840%0.402CS..Hα-helixtrans-60.9-48.2177.8-69.1-98.8-66.3-179.6-7.6112D302 G509 S511 W543 N544 R549 Q550 F551D302-R547 IonicContact OD1-NH1 3.24Å; D302-R547 PolarHBondContact OD1-NH1 3.49Å; D302-R547 IonicContact OD2-CZ 2.75Å; D302-R547 IonicContact OD2-NH1 2.65Å; D302-R547 PolarHBondContact OD2-NH1 3.09Å; G509-R547 WeakPolarHBondContact O-CD 3.43Å; S511-R547 VanDerWaalsContact CB-NH1 3.29Å; W543-R547 HydrophobicContact CD2-CG 4.27Å; W543-R547 HydrophobicContact CH2-CG 4.35Å; W543-R547 HydrophobicContact CZ2-CG 3.77Å; W543-R547 WeakPolarHBondContact O-CG 3.42Å; W543-R547 PolarHBondContact O-N 2.86Å; W543-R547 VanDerWaalsContact O-N 3.08Å; N544-R547 PolarHBondContact O-N 3.38Å; R547-R549 PolarHBondContact O-N 3.34Å; R547-R549 VanDerWaalsContact O-N 3.11Å; R547-Q550 PolarHBondContact O-N 3.01Å; R547-Q550 VanDerWaalsContact O-N 3.11Å; R547-F551 WeakPolarHBondContact O-CD2 3.42Å; R547-F551 PolarHBondContact O-N 3.37Å
548D79.3Confident81.3Confident130 Ų13078.9 Ų78.970%0.69541%0.41SS*.Hα-helixtrans-57.4-29.6178.9-70.9-17000112.6N544N544-D548 PolarHBondContact O-N 3.23Å
549R77.6Confident80.2Confident197 Ų19778.4 Ų78.474%0.74341%0.408SS*.Hα-helixtrans-84.1-35.9177.4-68.7174.4-177.1-176.40.9113.6R545 L546 R547R545-R549 WeakPolarHBondContact O-CG 3.36Å; L546-R549 PolarHBondContact O-N 3.08Å; R547-R549 PolarHBondContact O-N 3.34Å; R547-R549 VanDerWaalsContact O-N 3.11Å
550Q69.6Low79.2Confident124 Ų12476.6 Ų76.658%0.57940%0.396SS*.Hα-helixtrans-75.8-27.8-174.5-87.4-177.6-15.700113.8L546 R547L546-Q550 PolarHBondContact O-N 3.31Å; R547-Q550 PolarHBondContact O-N 3.01Å; R547-Q550 VanDerWaalsContact O-N 3.11Å
551F64.1Low78Confident72 Ų7280.5 Ų80.532%0.31642%0.417SS..THydrogen-bonded Turntrans-109.532.6-172.7-63.8-77.7000114.1D302 N303 R547 V553D302-F551 HydrophobicContact CB-CZ 4.22Å; D302-F551 VanDerWaalsContact O-CE1 3.28Å; D302-F551 WeakPolarHBondContact O-CE1 3.5Å; D302-F551 WeakPolarHBondContact O-CZ 3.27Å; N303-F551 HydrophobicContact CB-CD1 4.49Å; N303-F551 HydrophobicContact CB-CE1 4.21Å; R547-F551 WeakPolarHBondContact O-CD2 3.42Å; R547-F551 PolarHBondContact O-N 3.37Å; F551-V553 PolarHBondContact O-N 2.64Å
552A54.4Low76.6Confident81 Ų8182.6 Ų82.667%0.66943%0.428SS*.  trans-58.9132.6169.400000110.6A554A552-A554 PolarHBondContact O-N 3.45Å
553V56.5Low75Confident137 Ų13784.9 Ų84.983%0.8345%0.445SS*.  trans-64.989.4-161.4-173.30000112.4F551F551-V553 PolarHBondContact O-N 2.64Å
554A65.6Low73.7Confident65 Ų6588.5 Ų88.554%0.53747%0.47SS..  trans-93.8129.1158.300000108.4Q306 A552 A556Q306-A554 PolarHBondContact NE2-O 2.99Å; A552-A554 PolarHBondContact O-N 3.45Å; A554-A556 PolarHBondContact O-N 2.91Å
555D79Confident73.3Confident66 Ų6690.3 Ų90.335%0.35348%0.477SS..  trans-66.8119.2172.6-177.1-22.2000108.9L557 E558 D559D555-L557 PolarHBondContact O-N 2.73Å; D555-L557 WeakPolarHBondContact OD1-CB 3.18Å; D555-L557 PolarHBondContact OD1-N 3.16Å; D555-E558 HydrophobicContact CB-CB 4.04Å; D555-E558 HydrophobicContact CB-CG 3.8Å; D555-E558 PolarHBondContact O-N 2.94Å; D555-D559 PolarHBondContact O-N 3.39Å; D555-D559 VanDerWaalsContact O-N 3.14Å
556A81.1Confident73.3Confident4 Ų489.1 Ų89.13%0.03348%0.477CS..Hα-helixtrans-61.8-28.6-17800000112.6Y294 L298 Q306 I310 A554 V560Y294-A556 HydrophobicContact CE1-CB 3.94Å; Y294-A556 PolarHBondContact OH-O 2.93Å; L298-A556 HydrophobicContact CD1-CB 4Å; Q306-A556 HydrophobicContact CB-CB 3.9Å; Q306-A556 HydrophobicContact CG-CB 4.1Å; I310-A556 HydrophobicContact CD1-CB 4.3Å; I310-A556 HydrophobicContact CG1-CB 4.3Å; A554-A556 PolarHBondContact O-N 2.91Å; A556-V560 WeakPolarHBondContact O-CG2 3.47Å
557L79.6Confident73.5Confident45 Ų4587.5 Ų87.524%0.23647%0.47CS..Hα-helixtrans-75.7-30.2175.3-69.5176.9000112.3L291 I310 D555 N561L291-L557 HydrophobicContact CD2-CD2 3.83Å; I310-L557 HydrophobicContact CD1-CD1 4.26Å; I310-L557 HydrophobicContact CD1-CD2 3.36Å; I310-L557 HydrophobicContact CD1-CG 3.5Å; I310-L557 VanDerWaalsContact CD1-CG 3.5Å; D555-L557 PolarHBondContact O-N 2.73Å; D555-L557 WeakPolarHBondContact OD1-CB 3.18Å; D555-L557 PolarHBondContact OD1-N 3.16Å; L557-N561 PolarHBondContact O-ND2 3.18Å; L557-N561 PolarHBondContact O-OD1 3.44Å
558E79.1Confident74Confident131 Ų13189.9 Ų89.961%0.61248%0.484SS*.Hα-helixtrans-69.6-37.6174.2-69-174.1163.700111.8D555 V560 N561D555-E558 HydrophobicContact CB-CB 4.04Å; D555-E558 HydrophobicContact CB-CG 3.8Å; D555-E558 PolarHBondContact O-N 2.94Å; E558-V560 VanDerWaalsContact C-N 3.25Å; E558-V560 PolarHBondContact O-N 3.16Å; E558-N561 VanDerWaalsContact O-CB 3.24Å; E558-N561 WeakPolarHBondContact O-CB 3.41Å; E558-N561 PolarHBondContact O-N 3.46Å
559D74.6Confident74.6Confident62 Ų6288.2 Ų88.233%0.33247%0.472SS..Hα-helixtrans-61.6-32.1179-172.89.4000112.6K270 D555 N561 T562K270-D559 VanDerWaalsContact CE-OD2 3.28Å; K270-D559 WeakPolarHBondContact CE-OD2 3.24Å; K270-D559 IonicContact NZ-OD1 2.98Å; K270-D559 PolarHBondContact NZ-OD1 3.16Å; K270-D559 VanDerWaalsContact NZ-OD1 3.15Å; K270-D559 IonicContact NZ-OD2 3.92Å; K270-D559 PolarHBondContact NZ-OD2 2.93Å; D555-D559 PolarHBondContact O-N 3.39Å; D555-D559 VanDerWaalsContact O-N 3.14Å; D559-N561 PolarHBondContact O-N 3.45Å; D559-T562 PolarHBondContact O-OG1 2.95Å; D559-T562 VanDerWaalsContact O-OG1 3.11Å
560V76.6Confident75.3Confident6 Ų678.9 Ų78.94%0.03644%0.437CS..THydrogen-bonded Turntrans-80.20.4175.9-166.70000112.9K270 V273 F274 R277 Y294 A556 E558 T562K270-V560 HydrophobicContact CB-CG1 4.38Å; K270-V560 HydrophobicContact CB-CG2 4.38Å; K270-V560 HydrophobicContact CD-CG2 4.44Å; K270-V560 HydrophobicContact CG-CG2 3.98Å; K270-V560 WeakPolarHBondContact O-CG1 3.44Å; V273-V560 HydrophobicContact CB-CG1 3.97Å; V273-V560 HydrophobicContact CG1-CB 4.45Å; V273-V560 HydrophobicContact CG1-CG1 3.76Å; F274-V560 HydrophobicContact CB-CG1 4.4Å; R277-V560 PolarHBondContact NH2-O 2.86Å; Y294-V560 HydrophobicContact CE1-CG2 3.9Å; A556-V560 WeakPolarHBondContact O-CG2 3.47Å; E558-V560 VanDerWaalsContact C-N 3.25Å; E558-V560 PolarHBondContact O-N 3.16Å; V560-T562 VanDerWaalsContact C-N 3.33Å
561N69.7Low76.5Confident96 Ų9673.5 Ų73.551%0.51341%0.412SS..THydrogen-bonded Turntrans-88.34.8175.6-62-28000113.9R277 L557 E558 D559R277-N561 PolarHBondContact NH1-OD1 2.91Å; L557-N561 PolarHBondContact O-ND2 3.18Å; L557-N561 PolarHBondContact O-OD1 3.44Å; E558-N561 VanDerWaalsContact O-CB 3.24Å; E558-N561 WeakPolarHBondContact O-CB 3.41Å; E558-N561 PolarHBondContact O-N 3.46Å; D559-N561 PolarHBondContact O-N 3.45Å
562T64.8Low77.8Confident93 Ų9375.1 Ų75.157%0.57142%0.421SS*.SBendtrans-73.8163.7-178.151.70000113.5D559 V560D559-T562 PolarHBondContact O-OG1 2.95Å; D559-T562 VanDerWaalsContact O-OG1 3.11Å; V560-T562 VanDerWaalsContact C-N 3.33Å
563T59.9Low79.6Confident133 Ų13373 Ų7382%0.81640%0.403SS*.PPolyproline II helixtrans-53.8129.2-169.7-39.60000112.6
564P65.8Low81.3Confident85 Ų8566.6 Ų66.655%0.55237%0.365SS*.PPolyproline II helixtrans-69.7134.5-17025-33.5000113.3F274F274-P564 HydrophobicContact CE1-CB 3.9Å; F274-P564 HydrophobicContact CE2-CB 4.04Å; F274-P564 HydrophobicContact CZ-CB 3.53Å; F274-P564 HydrophobicContact CZ-CG 4.18Å
565Q81.6Confident82.5Confident99 Ų9965.8 Ų65.846%0.46335%0.351SS..PPolyproline II helixtrans-86.8151.7164.5-69.4-178.6-10.700110Q267 H271 V570Q267-Q565 VanDerWaalsContact NE2-OE1 3.08Å; H271-Q565 PolarHBondContact CE1-O 3.29Å; H271-Q565 VanDerWaalsContact CE1-O 3.28Å; Q565-V570 HydrophobicContact CB-CG2 3.87Å
566Q89.8Confident82.9Confident121 Ų12167.8 Ų67.857%0.56536%0.358SS*.PPolyproline II helixtrans-70.5139.4172.3-61.5-169.110.700109.7Q568 E569 V570Q566-Q568 PolarHBondContact O-N 2.64Å; Q566-E569 HydrophobicContact CB-CG 4.06Å; Q566-E569 PolarHBondContact N-OE2 3.13Å; Q566-E569 VanDerWaalsContact N-OE2 3.1Å; Q566-E569 WeakPolarHBondContact O-CB 3.26Å; Q566-E569 PolarHBondContact O-N 2.96Å; Q566-V570 PolarHBondContact O-N 3.4Å; Q566-V570 VanDerWaalsContact O-N 3.17Å
567T92.3Very high82.3Confident35 Ų3569.7 Ų69.722%0.21537%0.373CS..Hα-helixtrans-51.8-36.4177.7-58.60000112.4I236 V245 H271 E569 V570 V571I236-T567 HydrophobicContact CG2-CG2 4.4Å; V245-T567 HydrophobicContact CG1-CG2 3.65Å; H271-T567 WeakPolarHBondContact NE2-CA 3.31Å; H271-T567 PolarHBondContact NE2-OG1 2.78Å; T567-E569 PolarHBondContact O-N 3.2Å; T567-V570 PolarHBondContact O-N 3.15Å; T567-V571 HydrophobicContact CG2-CG2 4.25Å; T567-V571 WeakPolarHBondContact O-CB 3.38Å; T567-V571 VanDerWaalsContact O-CG2 3.24Å; T567-V571 WeakPolarHBondContact O-CG2 3.41Å; T567-V571 PolarHBondContact O-N 3.4Å
568Q92.2Very high81.3Confident105 Ų10570.5 Ų70.549%0.49138%0.376SS..Hα-helixtrans-63.5-40.1177.6-67.2-177.1-3400112.6P238 Q566 V571 Q572P238-Q568 VanDerWaalsContact CG-NE2 3.26Å; Q566-Q568 PolarHBondContact O-N 2.64Å; Q568-V571 PolarHBondContact O-N 2.78Å; Q568-Q572 WeakPolarHBondContact O-CB 3.49Å; Q568-Q572 PolarHBondContact O-N 2.9Å
569E92.3Very high79.6Confident96 Ų9669.2 Ų69.245%0.44938%0.381SS..Hα-helixtrans-65.9-42.1177.6-64168.6166.300110.5Q566 T567 Q572 A573Q566-E569 HydrophobicContact CB-CG 4.06Å; Q566-E569 PolarHBondContact N-OE2 3.13Å; Q566-E569 VanDerWaalsContact N-OE2 3.1Å; Q566-E569 WeakPolarHBondContact O-CB 3.26Å; Q566-E569 PolarHBondContact O-N 2.96Å; T567-E569 PolarHBondContact O-N 3.2Å; E569-Q572 PolarHBondContact O-N 3.19Å; E569-A573 VanDerWaalsContact O-CB 3.29Å; E569-A573 WeakPolarHBondContact O-CB 3.39Å; E569-A573 PolarHBondContact O-N 3.13Å
570V93Very high78Confident1 Ų172.3 Ų72.31%0.00640%0.398CS..Hα-helixtrans-61.9-47.2175.7176.80000111.1Q267 L268 H271 Q565 Q566 T567 A573 F574Q267-V570 HydrophobicContact CG-CG1 4.18Å; L268-V570 HydrophobicContact CD2-CG1 4.03Å; H271-V570 HydrophobicContact CB-CG1 4.31Å; H271-V570 HydrophobicContact CB-CG2 4.4Å; Q565-V570 HydrophobicContact CB-CG2 3.87Å; Q566-V570 PolarHBondContact O-N 3.4Å; Q566-V570 VanDerWaalsContact O-N 3.17Å; T567-V570 PolarHBondContact O-N 3.15Å; V570-A573 PolarHBondContact O-N 3.21Å; V570-F574 PolarHBondContact O-N 3.05Å
571V93.8Very high75.9Confident11 Ų1174.6 Ų74.67%0.06742%0.422CS..Hα-helixtrans-63.4-43.8177.6171.20000110.9M233 I236 T567 Q568 F574 L575M233-V571 HydrophobicContact CB-CG1 4.5Å; M233-V571 HydrophobicContact CE-CB 4.09Å; M233-V571 HydrophobicContact CE-CG1 4.17Å; M233-V571 HydrophobicContact CE-CG2 3.69Å; M233-V571 WeakPolarHBondContact O-CG1 3.49Å; M233-V571 HydrophobicContact SD-CG2 4.37Å; I236-V571 HydrophobicContact CB-CG2 4.38Å; I236-V571 HydrophobicContact CD1-CG2 3.87Å; I236-V571 HydrophobicContact CG2-CG2 4.23Å; T567-V571 HydrophobicContact CG2-CG2 4.25Å; T567-V571 WeakPolarHBondContact O-CB 3.38Å; T567-V571 VanDerWaalsContact O-CG2 3.24Å; T567-V571 WeakPolarHBondContact O-CG2 3.41Å; T567-V571 PolarHBondContact O-N 3.4Å; Q568-V571 PolarHBondContact O-N 2.78Å; V571-F574 WeakPolarHBondContact O-CB 3.4Å; V571-F574 PolarHBondContact O-N 3.34Å; V571-L575 HydrophobicContact CG1-CD1 3.94Å; V571-L575 HydrophobicContact CG1-CG 4.47Å; V571-L575 WeakPolarHBondContact O-CG 3.37Å; V571-L575 PolarHBondContact O-N 3.46Å
572Q92.5Very high74.3Confident105 Ų10576.1 Ų76.149%0.49144%0.437SS..Hα-helixtrans-64.8-44.1179.1-177.3174.30.400111.7Q568 E569 F574 L575 Q576Q568-Q572 WeakPolarHBondContact O-CB 3.49Å; Q568-Q572 PolarHBondContact O-N 2.9Å; E569-Q572 PolarHBondContact O-N 3.19Å; Q572-F574 VanDerWaalsContact C-N 3.31Å; Q572-F574 PolarHBondContact O-N 2.86Å; Q572-L575 PolarHBondContact O-N 3.36Å; Q572-Q576 HydrophobicContact CG-CG 4.07Å; Q572-Q576 WeakPolarHBondContact O-CB 3.27Å; Q572-Q576 VanDerWaalsContact O-CG 3.28Å; Q572-Q576 WeakPolarHBondContact O-CG 3.46Å; Q572-Q576 PolarHBondContact O-N 3.47Å
573A91.8Very high72.9Confident37 Ų3780.2 Ų80.231%0.30645%0.45SS..Hα-helixtrans-58.9-43.5175.800000111.5E569 V570 A577E569-A573 VanDerWaalsContact O-CB 3.29Å; E569-A573 WeakPolarHBondContact O-CB 3.39Å; E569-A573 PolarHBondContact O-N 3.13Å; V570-A573 PolarHBondContact O-N 3.21Å; A573-A577 WeakPolarHBondContact O-CB 3.41Å; A573-A577 PolarHBondContact O-N 3.09Å
574F91.9Very high71.4Confident3 Ų384.6 Ų84.61%0.01345%0.451CS..Hα-helixtrans-59.4-47.1175.3174.2-101.2000112.6I230 M233 C256 K264 L268 V570 V571 Q572I230-F574 HydrophobicContact CG1-CE1 4.28Å; I230-F574 HydrophobicContact CG1-CZ 4.37Å; M233-F574 HydrophobicContact CB-CD1 4.19Å; M233-F574 HydrophobicContact CB-CE1 4.22Å; M233-F574 HydrophobicContact CE-CB 4.01Å; M233-F574 HydrophobicContact CE-CD1 3.65Å; M233-F574 HydrophobicContact CE-CE1 4.38Å; M233-F574 HydrophobicContact CE-CG 3.92Å; M233-F574 HydrophobicContact CG-CD1 3.93Å; M233-F574 HydrophobicContact CG-CE1 3.82Å; C256-F574 VanDerWaalsContact SG-CE2 3.59Å; K264-F574 HydrophobicContact CB-CD2 4.25Å; K264-F574 HydrophobicContact CD-CD2 3.87Å; K264-F574 HydrophobicContact CD-CE2 4.05Å; L268-F574 HydrophobicContact CD1-CD2 3.79Å; L268-F574 HydrophobicContact CD1-CE2 3.97Å; L268-F574 HydrophobicContact CD1-CG 4.47Å; L268-F574 HydrophobicContact CD2-CB 4.39Å; L268-F574 HydrophobicContact CD2-CD2 4.49Å; L268-F574 HydrophobicContact CD2-CG 4.46Å; L268-F574 HydrophobicContact CG-CD2 4.47Å; V570-F574 PolarHBondContact O-N 3.05Å; V571-F574 WeakPolarHBondContact O-CB 3.4Å; V571-F574 PolarHBondContact O-N 3.34Å; Q572-F574 VanDerWaalsContact C-N 3.31Å; Q572-F574 PolarHBondContact O-N 2.86Å
575L91.9Very high70Confident47 Ų4785.7 Ų85.725%0.24646%0.458CS..Hα-helixtrans-73-38.7-177.8-66.7174.5000112.9I230 M233 K234 V571 Q572 Q578I230-L575 HydrophobicContact CG2-CD2 3.89Å; M233-L575 HydrophobicContact CB-CD2 4.25Å; K234-L575 HydrophobicContact CG-CD1 4.19Å; K234-L575 HydrophobicContact CG-CD2 4.19Å; V571-L575 HydrophobicContact CG1-CD1 3.94Å; V571-L575 HydrophobicContact CG1-CG 4.47Å; V571-L575 WeakPolarHBondContact O-CG 3.37Å; V571-L575 PolarHBondContact O-N 3.46Å; Q572-L575 PolarHBondContact O-N 3.36Å; L575-Q578 WeakPolarHBondContact O-CB 3.4Å; L575-Q578 PolarHBondContact O-N 2.8Å
576Q86.3Confident67.6Low109 Ų10987.4 Ų87.451%0.50948%0.479SS..Hα-helixtrans-67.8-36.7-179.6-75.9-178.8-18.100112.4Q572 Q578 S579Q572-Q576 HydrophobicContact CG-CG 4.07Å; Q572-Q576 WeakPolarHBondContact O-CB 3.27Å; Q572-Q576 VanDerWaalsContact O-CG 3.28Å; Q572-Q576 WeakPolarHBondContact O-CG 3.46Å; Q572-Q576 PolarHBondContact O-N 3.47Å; Q576-Q578 PolarHBondContact O-N 3.12Å; Q576-S579 PolarHBondContact O-N 2.94Å; Q576-S579 PolarHBondContact O-OG 3.1Å
577A68.9Low64.7Low43 Ų4389.6 Ų89.636%0.35549%0.494SS..THydrogen-bonded Turntrans-63.1-5.6176.500000113.9K264 A573K264-A577 HydrophobicContact CD-CB 4.47Å; A573-A577 WeakPolarHBondContact O-CB 3.41Å; A573-A577 PolarHBondContact O-N 3.09Å
578Q58.2Low61.9Low63 Ų6395.2 Ų95.229%0.29456%0.56SS.*THydrogen-bonded Turntrans-91.5-20.8173-59.6-160-26.800114.3Y226 I230 L575 Q576 L580Y226-Q578 PolarHBondContact OH-NE2 2.84Å; I230-Q578 VanDerWaalsContact CD1-OE1 3.24Å; L575-Q578 WeakPolarHBondContact O-CB 3.4Å; L575-Q578 PolarHBondContact O-N 2.8Å; Q576-Q578 PolarHBondContact O-N 3.12Å; Q578-L580 PolarHBondContact O-N 2.69Å
579S43.5Very low60.4Low103 Ų10394.8 Ų94.872%0.7256%0.563SS**SBendtrans-75.9-13.7179.564.80000113.4Q576Q576-S579 PolarHBondContact O-N 2.94Å; Q576-S579 PolarHBondContact O-OG 3.1Å
580L40.7Very low58.7Low128 Ų12894.7 Ų94.767%0.6757%0.569SS**SBendtrans-98.3100.3171.7-68.2160.2000107.4Q578Q578-L580 PolarHBondContact O-N 2.69Å
581G32.9Very low56.8Low54 Ų5499.9 Ų99.956%0.55760%0.6SS**  trans-57.9175.3175.700000113.5H583G581-H583 PolarHBondContact O-N 3.23Å
582P36Very low54.7Low128 Ų128105.1 Ų105.183%0.83163%0.632SS**SBendtrans-75.666.5-169.934.2-36.2000111.9
583H36.3Very low52.3Low178 Ų178105.1 Ų105.182%0.82464%0.641SS**  trans-146.878.4169.6-78.6-53000109.9G581G581-H583 PolarHBondContact O-N 3.23Å
584R28.1Very low49.7Very low226 Ų226109.7 Ų109.785%0.85366%0.663SS**  trans-133.4117.7140.2-81.6-165.5-178.9-166.80.9108.6C586R584-C586 PolarHBondContact O-N 3.24Å
585P35.7Very low46.6Very low108 Ų108117.3 Ų117.370%0.70171%0.709SS**  trans-60.9135161.5-3.217.6000107.4L587P585-L587 PolarHBondContact O-N 3.2Å
586C32.3Very low43.2Very low134 Ų134122.7 Ų122.791%0.90575%0.745SS**  trans-55.1109.6160.4-66.60000107.4R584R584-C586 PolarHBondContact O-N 3.24Å
587L29.2Very low39.6Very low167 Ų167123.8 Ų123.887%0.87476%0.764SS**  trans-97.3128.8169.2-82.2164.4000107.6P585P585-L587 PolarHBondContact O-N 3.2Å
588G33.1Very low36.9Very low154 Ų154131.2 Ų131.2100%1.58880%0.802SS**  trans117.70167.100000113.3

Retrieved 588 of 588 residues in 118.7 ms (Link to these results)