A0A3Q0KNM1_SCHMA Loading...

Palmitoyl-protein thioesterase 1

AlphaFold DB , UniProt , Accession A0A3Q0KNM1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 267 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
1M48.7Very low67Low102 Ų10259.7 Ų59.750%0.50234%0.342SS..  0120.10-84.4143.8157.500107.9D3 Q75 P142 Y145M1-D3 VanDerWaalsContact C-N 3.34Å; M1-Q75 PolarHBondContact SD-OE1 3.09Å; M1-P142 HydrophobicContact CE-CG 4.41Å; M1-Y145 WeakPolarHBondContact CE-OH 3.48Å
2S48.8Very low68.6Low81 Ų8160.2 Ų60.257%0.56634%0.342SS*.  trans-87.90.1-175.645.10000113.7H4 S7S2-H4 VanDerWaalsContact C-N 3.32Å; S2-H4 PolarHBondContact O-N 2.97Å; S2-S7 WeakPolarHBondContact O-CB 3.39Å; S2-S7 PolarHBondContact O-OG 3.34Å; S2-S7 VanDerWaalsContact O-OG 3.09Å
3D57.5Low70.3Confident44 Ų4457.1 Ų57.124%0.23533%0.325CS..  trans-98.626.7-159.8-52.5-18000112.7M1 S74M1-D3 VanDerWaalsContact C-N 3.34Å; D3-S74 VanDerWaalsContact OD2-CB 3.26Å; D3-S74 WeakPolarHBondContact OD2-CB 3.24Å
4H63Low71.9Confident33 Ų3354 Ų5415%0.15331%0.31CS..SBendtrans-74.815317362.893.7000110.6S2 T6 S7 M10 D38 T42S2-H4 VanDerWaalsContact C-N 3.32Å; S2-H4 PolarHBondContact O-N 2.97Å; H4-T6 PolarHBondContact CE1-OG1 3.31Å; H4-T6 PolarHBondContact ND1-OG1 3.4Å; H4-T6 PolarHBondContact O-N 3.48Å; H4-T6 VanDerWaalsContact O-N 3.07Å; H4-S7 PolarHBondContact CE1-N 2.84Å; H4-S7 PolarHBondContact ND1-N 3.45Å; H4-S7 VanDerWaalsContact O-CB 3.22Å; H4-S7 WeakPolarHBondContact O-CB 3.45Å; H4-S7 PolarHBondContact O-N 3.49Å; H4-S7 PolarHBondContact O-OG 2.98Å; H4-M10 WeakPolarHBondContact O-CG 3.35Å; H4-D38 IonicContact CG-OD2 2.99Å; H4-D38 IonicContact ND1-OD2 2.83Å; H4-T42 HydrophobicContact CB-CG2 3.98Å
5G60.8Low73.2Confident14 Ų1456.9 Ų56.914%0.14432%0.32CS..THydrogen-bonded Turntrans-63.7-20.8-169.100000115.3S28 I29G5-S28 VanDerWaalsContact O-CB 3.29Å; G5-S28 WeakPolarHBondContact O-CB 3.39Å; G5-I29 WeakPolarHBondContact CA-O 3.46Å; G5-I29 PolarHBondContact N-O 3.03Å
6T66Low74.4Confident79 Ų7954.8 Ų54.849%0.48531%0.307SS..THydrogen-bonded Turntrans-93.51.6178.151.20000113.7H4 D38H4-T6 PolarHBondContact CE1-OG1 3.31Å; H4-T6 PolarHBondContact ND1-OG1 3.4Å; H4-T6 PolarHBondContact O-N 3.48Å; H4-T6 VanDerWaalsContact O-N 3.07Å; T6-D38 PolarHBondContact OG1-OD2 3.13Å
7S72.6Confident75.6Confident13 Ų1352.6 Ų52.69%0.09129%0.294CS..SBendtrans-68.7154.3179.267.50000112.7S2 H4 G9 M10 G11S2-S7 WeakPolarHBondContact O-CB 3.39Å; S2-S7 PolarHBondContact O-OG 3.34Å; S2-S7 VanDerWaalsContact O-OG 3.09Å; H4-S7 PolarHBondContact CE1-N 2.84Å; H4-S7 PolarHBondContact ND1-N 3.45Å; H4-S7 VanDerWaalsContact O-CB 3.22Å; H4-S7 WeakPolarHBondContact O-CB 3.45Å; H4-S7 PolarHBondContact O-N 3.49Å; H4-S7 PolarHBondContact O-OG 2.98Å; S7-G9 VanDerWaalsContact C-N 3.27Å; S7-G9 PolarHBondContact O-N 2.91Å; S7-M10 PolarHBondContact O-N 3.32Å; S7-M10 WeakPolarHBondContact OG-CB 3.29Å; S7-M10 VanDerWaalsContact OG-CG 3.32Å; S7-M10 WeakPolarHBondContact OG-CG 3.32Å; S7-M10 PolarHBondContact OG-N 3Å; S7-G11 PolarHBondContact O-N 2.64Å
8Y73.8Confident76.7Confident192 Ų19256.1 Ų56.175%0.75331%0.305SS*.Hα-helixtrans-56.4-42.3174.9180-101.5000112G11 L12Y8-G11 PolarHBondContact O-N 3.31Å; Y8-L12 HydrophobicContact CD1-CD1 4.03Å; Y8-L12 HydrophobicContact CD1-CG 4.43Å; Y8-L12 HydrophobicContact CE1-CD1 3.44Å; Y8-L12 VanDerWaalsContact CE1-CD1 3.44Å; Y8-L12 HydrophobicContact CE1-CG 4.02Å; Y8-L12 PolarHBondContact O-N 2.78Å
9G79.1Confident77.6Confident35 Ų3563.3 Ų63.336%0.36133%0.328SS..Hα-helixtrans-59.9-47177.700000112.7S7 G11 L12 V13S7-G9 VanDerWaalsContact C-N 3.27Å; S7-G9 PolarHBondContact O-N 2.91Å; G9-G11 VanDerWaalsContact C-N 3.31Å; G9-G11 PolarHBondContact O-N 3.26Å; G9-L12 PolarHBondContact O-N 3.28Å; G9-V13 WeakPolarHBondContact O-CG2 3.14Å; G9-V13 PolarHBondContact O-N 2.88Å; G9-V13 VanDerWaalsContact O-N 3.08Å
10M82.2Confident78.4Confident35 Ų3561.4 Ų61.417%0.17232%0.322CS..Hα-helixtrans-67.2-33.6177.4-69.5-51.110100112.3H4 S7 V13 A14 I73H4-M10 WeakPolarHBondContact O-CG 3.35Å; S7-M10 PolarHBondContact O-N 3.32Å; S7-M10 WeakPolarHBondContact OG-CB 3.29Å; S7-M10 VanDerWaalsContact OG-CG 3.32Å; S7-M10 WeakPolarHBondContact OG-CG 3.32Å; S7-M10 PolarHBondContact OG-N 3Å; M10-V13 HydrophobicContact CE-CG2 4.36Å; M10-V13 PolarHBondContact O-N 2.85Å; M10-A14 WeakPolarHBondContact O-CB 3.47Å; M10-A14 PolarHBondContact O-N 3.28Å; M10-I73 HydrophobicContact CE-CB 4.35Å; M10-I73 HydrophobicContact CE-CD1 3.45Å; M10-I73 VanDerWaalsContact CE-CD1 3.45Å; M10-I73 HydrophobicContact CE-CG1 4.46Å; M10-I73 HydrophobicContact CE-CG2 4.41Å; M10-I73 HydrophobicContact SD-CD1 3.91Å
11G85Confident79.2Confident29 Ų2959.9 Ų59.930%0.29931%0.314SS..Hα-helixtrans-58.7-44.3171.500000112.7S7 Y8 G9 A14 Q15S7-G11 PolarHBondContact O-N 2.64Å; Y8-G11 PolarHBondContact O-N 3.31Å; G9-G11 VanDerWaalsContact C-N 3.31Å; G9-G11 PolarHBondContact O-N 3.26Å; G11-A14 PolarHBondContact O-N 2.94Å; G11-Q15 WeakPolarHBondContact O-CG 3.3Å; G11-Q15 PolarHBondContact O-N 3.32Å
12L86.3Confident81.4Confident65 Ų6560.3 Ų60.334%0.3432%0.324SS..Hα-helixtrans-64.2-45.1175.5-69.6-179.8000112Y8 G9 A14 Q15 M16Y8-L12 HydrophobicContact CD1-CD1 4.03Å; Y8-L12 HydrophobicContact CD1-CG 4.43Å; Y8-L12 HydrophobicContact CE1-CD1 3.44Å; Y8-L12 VanDerWaalsContact CE1-CD1 3.44Å; Y8-L12 HydrophobicContact CE1-CG 4.02Å; Y8-L12 PolarHBondContact O-N 2.78Å; G9-L12 PolarHBondContact O-N 3.28Å; L12-A14 VanDerWaalsContact C-N 3.34Å; L12-A14 PolarHBondContact O-N 2.91Å; L12-Q15 PolarHBondContact O-N 3.16Å; L12-M16 VanDerWaalsContact O-CG 3.26Å; L12-M16 WeakPolarHBondContact O-CG 3.49Å; L12-M16 PolarHBondContact O-N 3.49Å
13V90.4Very high83.5Confident20 Ų2060.7 Ų60.712%0.12134%0.341CS..Hα-helixtrans-58.2-46.5176.5172.90000110.8G9 M10 Q15 M16 I17 I73 F257G9-V13 WeakPolarHBondContact O-CG2 3.14Å; G9-V13 PolarHBondContact O-N 2.88Å; G9-V13 VanDerWaalsContact O-N 3.08Å; M10-V13 HydrophobicContact CE-CG2 4.36Å; M10-V13 PolarHBondContact O-N 2.85Å; V13-Q15 VanDerWaalsContact C-N 3.34Å; V13-Q15 PolarHBondContact O-N 2.98Å; V13-M16 PolarHBondContact O-N 3.08Å; V13-I17 HydrophobicContact CG1-CD1 3.91Å; V13-I17 VanDerWaalsContact O-CG1 3.31Å; V13-I17 WeakPolarHBondContact O-CG1 3.5Å; V13-I17 PolarHBondContact O-N 3.45Å; V13-I73 HydrophobicContact CG1-CD1 4.49Å; V13-I73 HydrophobicContact CG2-CD1 4.02Å; V13-F257 HydrophobicContact CG1-CE1 4.09Å; V13-F257 HydrophobicContact CG1-CZ 3.93Å
14A92Very high85.3Confident14 Ų1461 Ų6112%0.11634%0.344CS..Hα-helixtrans-61.9-39.8178.100000112.7M10 G11 L12 I17 K18 V26M10-A14 WeakPolarHBondContact O-CB 3.47Å; M10-A14 PolarHBondContact O-N 3.28Å; G11-A14 PolarHBondContact O-N 2.94Å; L12-A14 VanDerWaalsContact C-N 3.34Å; L12-A14 PolarHBondContact O-N 2.91Å; A14-I17 PolarHBondContact O-N 3.39Å; A14-K18 WeakPolarHBondContact O-CG 3.42Å; A14-K18 PolarHBondContact O-N 3.48Å; A14-K18 VanDerWaalsContact O-N 3.15Å; A14-V26 HydrophobicContact CB-CG1 3.88Å
15Q92.1Very high86.9Confident98 Ų9863.7 Ų63.746%0.45835%0.354SS..Hα-helixtrans-64.8-42174.7-73.2-179.530.200111.9G11 L12 V13 I17 K18 R19G11-Q15 WeakPolarHBondContact O-CG 3.3Å; G11-Q15 PolarHBondContact O-N 3.32Å; L12-Q15 PolarHBondContact O-N 3.16Å; V13-Q15 VanDerWaalsContact C-N 3.34Å; V13-Q15 PolarHBondContact O-N 2.98Å; Q15-I17 VanDerWaalsContact C-N 3.34Å; Q15-I17 PolarHBondContact O-N 2.97Å; Q15-K18 PolarHBondContact O-N 3.4Å; Q15-R19 WeakPolarHBondContact O-CG 3.45Å; Q15-R19 PolarHBondContact O-N 3.07Å
16M91.8Very high88.6Confident22 Ų2264.5 Ų64.511%0.10836%0.356CS..Hα-helixtrans-62.9-41.1177.6-69.8167.863.100112.1L12 V13 R19 A20 N254 F257 V258L12-M16 VanDerWaalsContact O-CG 3.26Å; L12-M16 WeakPolarHBondContact O-CG 3.49Å; L12-M16 PolarHBondContact O-N 3.49Å; V13-M16 PolarHBondContact O-N 3.08Å; M16-R19 PolarHBondContact O-N 3.23Å; M16-A20 WeakPolarHBondContact O-CB 3.4Å; M16-A20 PolarHBondContact O-N 3.02Å; M16-N254 HydrophobicContact CE-CB 3.5Å; M16-N254 VanDerWaalsContact CE-CB 3.5Å; M16-N254 WeakPolarHBondContact CE-OD1 3.15Å; M16-N254 HydrophobicContact SD-CB 4.23Å; M16-N254 VanDerWaalsContact SD-CG 3.57Å; M16-N254 PolarHBondContact SD-OD1 3.19Å; M16-N254 VanDerWaalsContact SD-OD1 3.33Å; M16-F257 HydrophobicContact CE-CB 4.28Å; M16-F257 HydrophobicContact CE-CD1 3.6Å; M16-F257 HydrophobicContact CE-CE1 4.42Å; M16-F257 HydrophobicContact CE-CG 4.39Å; M16-V258 HydrophobicContact CE-CG2 4.15Å
17I95.1Very high89.9Confident19 Ų1964.8 Ų64.810%0.09735%0.35CS..Hα-helixtrans-59.2-49.8175.2-67163.9000110.6V13 A14 Q15 R19 A20 I21 T24 V26 I71 F257 L262V13-I17 HydrophobicContact CG1-CD1 3.91Å; V13-I17 VanDerWaalsContact O-CG1 3.31Å; V13-I17 WeakPolarHBondContact O-CG1 3.5Å; V13-I17 PolarHBondContact O-N 3.45Å; A14-I17 PolarHBondContact O-N 3.39Å; Q15-I17 VanDerWaalsContact C-N 3.34Å; Q15-I17 PolarHBondContact O-N 2.97Å; I17-R19 VanDerWaalsContact C-N 3.28Å; I17-R19 PolarHBondContact O-N 2.88Å; I17-A20 PolarHBondContact O-N 2.91Å; I17-I21 PolarHBondContact O-N 3.25Å; I17-T24 HydrophobicContact CG2-CG2 3.85Å; I17-V26 HydrophobicContact CB-CG2 4.14Å; I17-V26 HydrophobicContact CD1-CG1 4.46Å; I17-V26 HydrophobicContact CG2-CG2 3.6Å; I17-I71 HydrophobicContact CD1-CD1 3.84Å; I17-F257 HydrophobicContact CG1-CE1 4.34Å; I17-L262 HydrophobicContact CG1-CD1 4.04Å; I17-L262 HydrophobicContact CG1-CD2 3.75Å
18K95Very high90.9Very high114 Ų11466.6 Ų66.650%0.49636%0.363SS..Hα-helixtrans-61.4-34.5179.2-71.9177.5179.81780113.3A14 Q15 I21 T24 V26A14-K18 WeakPolarHBondContact O-CG 3.42Å; A14-K18 PolarHBondContact O-N 3.48Å; A14-K18 VanDerWaalsContact O-N 3.15Å; Q15-K18 PolarHBondContact O-N 3.4Å; K18-I21 CarbonylContact O-C 3.24Å; K18-T24 HydrophobicContact CG-CG2 4.42Å; K18-V26 HydrophobicContact CG-CG2 3.76Å
19R94.3Very high91.6Very high193 Ų19360.4 Ų60.473%0.72834%0.342SS*.Hα-helixtrans-73-41.5176.3-71.9177.5-174174.54.7112.2Q15 M16 I17Q15-R19 WeakPolarHBondContact O-CG 3.45Å; Q15-R19 PolarHBondContact O-N 3.07Å; M16-R19 PolarHBondContact O-N 3.23Å; I17-R19 VanDerWaalsContact C-N 3.28Å; I17-R19 PolarHBondContact O-N 2.88Å
20A94.4Very high91.9Very high25 Ų2559.9 Ų59.921%0.20733%0.333CS..Hα-helixtrans-74.1-29.1-179.200000112.9M16 I17 V258 L262M16-A20 WeakPolarHBondContact O-CB 3.4Å; M16-A20 PolarHBondContact O-N 3.02Å; I17-A20 PolarHBondContact O-N 2.91Å; A20-V258 HydrophobicContact CB-CG1 4.14Å; A20-L262 HydrophobicContact CB-CB 4.38Å; A20-L262 HydrophobicContact CB-CD1 3.72Å
21I94.8Very high91.9Very high31 Ų3159 Ų5916%0.15933%0.329CS..SBendtrans-130.681-178.5-48.8174.4000108.8I17 K18 G23 T24 L266I17-I21 PolarHBondContact O-N 3.25Å; K18-I21 CarbonylContact O-C 3.24Å; I21-G23 PolarHBondContact O-N 2.94Å; I21-T24 HydrophobicContact CB-CG2 4.12Å; I21-T24 HydrophobicContact CG2-CG2 4.42Å; I21-T24 WeakPolarHBondContact O-CB 3.3Å; I21-T24 WeakPolarHBondContact O-CG2 3.12Å; I21-T24 PolarHBondContact O-N 3.32Å; I21-L266 HydrophobicContact CD1-CB 3.85Å
22P94.4Very high91.7Very high111 Ų11159 Ų5972%0.72132%0.323SS*.THydrogen-bonded Turntrans-55.6137.6-178.9-26.635.8000112.6T24P22-T24 VanDerWaalsContact C-N 3.32Å; P22-T24 PolarHBondContact O-N 3.31Å
23G93.9Very high91.2Very high89 Ų8960.2 Ų60.292%0.91834%0.337SS*.THydrogen-bonded Turntrans85.5-7.3-179.400000115.2I21I21-G23 PolarHBondContact O-N 2.94Å
24T95.2Very high90.6Very high49 Ų4966 Ų6630%0.30136%0.361SS..  trans-68.6137.5179.1-164.90000112.6I17 K18 I21 P22 V26I17-T24 HydrophobicContact CG2-CG2 3.85Å; K18-T24 HydrophobicContact CG-CG2 4.42Å; I21-T24 HydrophobicContact CB-CG2 4.12Å; I21-T24 HydrophobicContact CG2-CG2 4.42Å; I21-T24 WeakPolarHBondContact O-CB 3.3Å; I21-T24 WeakPolarHBondContact O-CG2 3.12Å; I21-T24 PolarHBondContact O-N 3.32Å; P22-T24 VanDerWaalsContact C-N 3.32Å; P22-T24 PolarHBondContact O-N 3.31Å; T24-V26 HydrophobicContact CG2-CG2 3.81Å
25Y96.1Very high89.8Confident90 Ų9068.1 Ų68.135%0.35338%0.378SS..  trans-78132.9165.7-179.7-119.7000109.4K27 D61 K63 L64Y25-K27 HydrophobicContact CE1-CB 4.04Å; Y25-D61 WeakPolarHBondContact CE1-OD2 3.34Å; Y25-D61 PolarHBondContact OH-OD2 3.3Å; Y25-K63 HydrophobicContact CD1-CB 3.46Å; Y25-K63 VanDerWaalsContact CD1-CB 3.46Å; Y25-K63 HydrophobicContact CD1-CD 3.92Å; Y25-K63 HydrophobicContact CD1-CG 4.34Å; Y25-K63 HydrophobicContact CD2-CD 3.6Å; Y25-K63 HydrophobicContact CE1-CB 3.7Å; Y25-K63 HydrophobicContact CE1-CD 4.01Å; Y25-K63 HydrophobicContact CE1-CG 4.45Å; Y25-K63 HydrophobicContact CE2-CD 3.71Å; Y25-K63 HydrophobicContact CG-CB 4.01Å; Y25-K63 HydrophobicContact CG-CD 3.72Å; Y25-L64 HydrophobicContact CD1-CD2 3.84Å; Y25-L64 HydrophobicContact CE1-CD2 3.99Å; Y25-L64 HydrophobicContact CE1-CG 4.29Å
26V95.5Very high88.9Confident31 Ų3172.2 Ų72.219%0.18839%0.394CS..  trans-127.6123.1176.6-174.60000108.4A14 I17 K18 T24A14-V26 HydrophobicContact CB-CG1 3.88Å; I17-V26 HydrophobicContact CB-CG2 4.14Å; I17-V26 HydrophobicContact CD1-CG1 4.46Å; I17-V26 HydrophobicContact CG2-CG2 3.6Å; K18-V26 HydrophobicContact CG-CG2 3.76Å; T24-V26 HydrophobicContact CG2-CG2 3.81Å
27K94.2Very high88.3Confident86 Ų8674.3 Ų74.337%0.37440%0.403SS..  trans-110.6109.9174.8179.672.8179.6-171.50108.9Y25 I29 M57Y25-K27 HydrophobicContact CE1-CB 4.04Å; K27-I29 HydrophobicContact CG-CD1 4.04Å; K27-M57 WeakPolarHBondContact CE-SD 3.11Å
28S92.7Very high87.5Confident50 Ų5073.5 Ų73.535%0.3540%0.4SS..  trans-75126.7165.4-57.60000108.7G5G5-S28 VanDerWaalsContact O-CB 3.29Å; G5-S28 WeakPolarHBondContact O-CB 3.39Å
29I90Very high86.5Confident62 Ų6271.1 Ų71.132%0.31839%0.394SS..  trans-82.9127-175.9-60.3-59.2000109.8G5 K27 V54 I58G5-I29 WeakPolarHBondContact CA-O 3.46Å; G5-I29 PolarHBondContact N-O 3.03Å; K27-I29 HydrophobicContact CG-CD1 4.04Å; I29-V54 HydrophobicContact CD1-CG1 4.25Å; I29-V54 HydrophobicContact CG2-CB 4.21Å; I29-V54 HydrophobicContact CG2-CG1 3.66Å; I29-V54 HydrophobicContact CG2-CG2 3.4Å; I29-V54 VanDerWaalsContact CG2-CG2 3.4Å; I29-I58 HydrophobicContact CD1-CD1 4.39Å; I29-I58 HydrophobicContact CD1-CG1 4.34Å
30S85.1Confident85.9Confident25 Ų2568.7 Ų68.718%0.17539%0.385CS..  trans-109.5146.1164.564.40000109.6N32 D38 Y53 M57S30-N32 VanDerWaalsContact C-N 3.31Å; S30-N32 VanDerWaalsContact CB-O 3.31Å; S30-N32 WeakPolarHBondContact CB-O 3.28Å; S30-N32 PolarHBondContact OG-O 3.16Å; S30-D38 WeakPolarHBondContact CA-OD1 3.48Å; S30-D38 WeakPolarHBondContact CB-OD1 3.38Å; S30-Y53 WeakPolarHBondContact O-CE1 3.24Å; S30-M57 VanDerWaalsContact O-CE 3.25Å; S30-M57 WeakPolarHBondContact O-CE 3.19Å
31T81.3Confident85.4Confident15 Ų1568.1 Ų68.19%0.09238%0.378CS..SBendtrans-87.6-10.7176.460.70000111.8D38 D41 R45 Q50 Y53T31-D38 PolarHBondContact N-OD1 3.27Å; T31-D38 PolarHBondContact OG1-OD1 3.24Å; T31-D41 WeakPolarHBondContact OG1-CB 3.45Å; T31-D41 PolarHBondContact OG1-OD2 3.48Å; T31-D41 VanDerWaalsContact OG1-OD2 3.06Å; T31-R45 PolarHBondContact O-NH1 3.06Å; T31-Q50 HydrophobicContact CG2-CB 4Å; T31-Q50 HydrophobicContact CG2-CG 3.93Å; T31-Y53 VanDerWaalsContact C-CE1 3.46Å; T31-Y53 WeakPolarHBondContact O-CD1 3.44Å; T31-Y53 VanDerWaalsContact O-CE1 3.3Å; T31-Y53 WeakPolarHBondContact O-CE1 3.42Å
32N81.7Confident84.5Confident30 Ų3067.1 Ų67.116%0.1637%0.374CS..SBendtrans-138.4159.3177.2-152.7-70.2000111.3S30 F34 E37 D38S30-N32 VanDerWaalsContact C-N 3.31Å; S30-N32 VanDerWaalsContact CB-O 3.31Å; S30-N32 WeakPolarHBondContact CB-O 3.28Å; S30-N32 PolarHBondContact OG-O 3.16Å; N32-F34 VanDerWaalsContact C-N 3.34Å; N32-F34 PolarHBondContact OD1-N 3.29Å; N32-E37 HydrophobicContact CB-CB 3.82Å; N32-E37 WeakPolarHBondContact ND2-CB 3.49Å; N32-D38 HydrophobicContact CB-CB 4.34Å
33S75.8Confident83.9Confident90 Ų9063.8 Ų63.863%0.62935%0.351SS*.SBendtrans-74.2-26.1171.148.90000112.5Y53S33-Y53 PolarHBondContact N-OH 3.34Å
34F76.3Confident83.5Confident143 Ų14364.5 Ų64.563%0.62733%0.329SS*.SBendtrans-99.4124.3178.1-60.2-74.8000110.6N32 K36 E37 D38N32-F34 VanDerWaalsContact C-N 3.34Å; N32-F34 PolarHBondContact OD1-N 3.29Å; F34-K36 PolarHBondContact O-N 2.94Å; F34-K36 VanDerWaalsContact O-N 3.14Å; F34-E37 HydrophobicContact CB-CB 4.3Å; F34-E37 HydrophobicContact CB-CG 4.19Å; F34-E37 PolarHBondContact O-N 3.41Å; F34-D38 PolarHBondContact O-N 3.05Å
35A76.4Confident83Confident57 Ų5764.6 Ų64.647%0.47132%0.324SS..Hα-helixtrans-57.3-32.5-17700000113.9D38 V39A35-D38 WeakPolarHBondContact O-CB 3.41Å; A35-D38 PolarHBondContact O-N 3.43Å; A35-V39 WeakPolarHBondContact O-CG2 3.37Å; A35-V39 PolarHBondContact O-N 3.34Å
36K73.6Confident82.9Confident184 Ų18461 Ų6180%0.831%0.312SS*.Hα-helixtrans-66.9-41.8175.2-70.9-175.2177.8-179.30112.3F34 V39 R40F34-K36 PolarHBondContact O-N 2.94Å; F34-K36 VanDerWaalsContact O-N 3.14Å; K36-V39 PolarHBondContact O-N 2.9Å; K36-R40 PolarHBondContact O-N 2.6Å
37E78.8Confident82.8Confident66 Ų6659.5 Ų59.531%0.30830%0.303SS..Hα-helixtrans-73.5-31.9176.9-63-57.114200111.3N32 F34 V39 R40 D41N32-E37 HydrophobicContact CB-CB 3.82Å; N32-E37 WeakPolarHBondContact ND2-CB 3.49Å; F34-E37 HydrophobicContact CB-CB 4.3Å; F34-E37 HydrophobicContact CB-CG 4.19Å; F34-E37 PolarHBondContact O-N 3.41Å; E37-V39 VanDerWaalsContact C-N 3.29Å; E37-V39 PolarHBondContact O-N 3.49Å; E37-R40 PolarHBondContact O-N 2.85Å; E37-R40 VanDerWaalsContact O-N 3.13Å; E37-R40 WeakPolarHBondContact OE2-CD 3.25Å; E37-R40 IonicContact OE2-NH1 2.59Å; E37-R40 PolarHBondContact OE2-NH1 3.49Å; E37-D41 VanDerWaalsContact O-CB 3.29Å; E37-D41 WeakPolarHBondContact O-CB 3.24Å; E37-D41 PolarHBondContact O-N 3.23Å
38D77.6Confident82.8Confident3 Ų357.3 Ų57.32%0.01630%0.295CS..Hα-helixtrans-55.6-44.1171.4-175.148000111.1H4 T6 S30 T31 N32 F34 A35 T42H4-D38 IonicContact CG-OD2 2.99Å; H4-D38 IonicContact ND1-OD2 2.83Å; T6-D38 PolarHBondContact OG1-OD2 3.13Å; S30-D38 WeakPolarHBondContact CA-OD1 3.48Å; S30-D38 WeakPolarHBondContact CB-OD1 3.38Å; T31-D38 PolarHBondContact N-OD1 3.27Å; T31-D38 PolarHBondContact OG1-OD1 3.24Å; N32-D38 HydrophobicContact CB-CB 4.34Å; F34-D38 PolarHBondContact O-N 3.05Å; A35-D38 WeakPolarHBondContact O-CB 3.41Å; A35-D38 PolarHBondContact O-N 3.43Å; D38-T42 WeakPolarHBondContact O-CG2 3.02Å
39V75.1Confident82.9Confident63 Ų6359.6 Ų59.638%0.38230%0.301SS..Hα-helixtrans-64.8-45.8174.5178.10000111.3A35 K36 E37 D41 T42A35-V39 WeakPolarHBondContact O-CG2 3.37Å; A35-V39 PolarHBondContact O-N 3.34Å; K36-V39 PolarHBondContact O-N 2.9Å; E37-V39 VanDerWaalsContact C-N 3.29Å; E37-V39 PolarHBondContact O-N 3.49Å; V39-D41 VanDerWaalsContact C-N 3.34Å; V39-D41 PolarHBondContact O-N 2.95Å; V39-T42 WeakPolarHBondContact O-CB 3.32Å; V39-T42 PolarHBondContact O-N 3.13Å; V39-T42 PolarHBondContact O-OG1 3.39Å
40R81.2Confident83Confident143 Ų14357 Ų5754%0.5429%0.287SS..Hα-helixtrans-64.3-40.4-177.8-172-173.6176.8-168.9-1.2112K36 E37 T42 V43 F44K36-R40 PolarHBondContact O-N 2.6Å; E37-R40 PolarHBondContact O-N 2.85Å; E37-R40 VanDerWaalsContact O-N 3.13Å; E37-R40 WeakPolarHBondContact OE2-CD 3.25Å; E37-R40 IonicContact OE2-NH1 2.59Å; E37-R40 PolarHBondContact OE2-NH1 3.49Å; R40-T42 PolarHBondContact O-N 3.01Å; R40-V43 PolarHBondContact O-N 3.33Å; R40-F44 HydrophobicContact CG-CB 4.32Å; R40-F44 HydrophobicContact CG-CD2 3.76Å; R40-F44 HydrophobicContact CG-CG 4.47Å; R40-F44 PolarHBondContact O-N 3.28Å
41D83.3Confident83.5Confident12 Ų1256 Ų566%0.06428%0.28CS..Hα-helixtrans-58.8-32.4179.6-80.1-1.5000111.6T31 E37 V39 V43 R45 Q50T31-D41 WeakPolarHBondContact OG1-CB 3.45Å; T31-D41 PolarHBondContact OG1-OD2 3.48Å; T31-D41 VanDerWaalsContact OG1-OD2 3.06Å; E37-D41 VanDerWaalsContact O-CB 3.29Å; E37-D41 WeakPolarHBondContact O-CB 3.24Å; E37-D41 PolarHBondContact O-N 3.23Å; V39-D41 VanDerWaalsContact C-N 3.34Å; V39-D41 PolarHBondContact O-N 2.95Å; D41-V43 PolarHBondContact O-N 3.03Å; D41-R45 HydrophobicContact CB-CB 3.89Å; D41-R45 PolarHBondContact O-N 3.1Å; D41-R45 VanDerWaalsContact OD1-CD 3.32Å; D41-R45 WeakPolarHBondContact OD1-CD 3.36Å; D41-R45 VanDerWaalsContact OD2-CD 3.25Å; D41-R45 WeakPolarHBondContact OD2-CD 3.46Å; D41-R45 IonicContact OD2-CZ 3.6Å; D41-R45 IonicContact OD2-NH1 3.61Å; D41-R45 PolarHBondContact OD2-NH1 3.28Å; D41-Q50 PolarHBondContact O-NE2 3.4Å
42T77.1Confident84.2Confident11 Ų1160.7 Ų60.77%0.06730%0.304CS..Hα-helixtrans-57.5-20.6176.3700000114H4 D38 V39 R40 V141H4-T42 HydrophobicContact CB-CG2 3.98Å; D38-T42 WeakPolarHBondContact O-CG2 3.02Å; V39-T42 WeakPolarHBondContact O-CB 3.32Å; V39-T42 PolarHBondContact O-N 3.13Å; V39-T42 PolarHBondContact O-OG1 3.39Å; R40-T42 PolarHBondContact O-N 3.01Å; T42-V141 VanDerWaalsContact O-CB 3.29Å; T42-V141 WeakPolarHBondContact O-CB 3.48Å; T42-V141 WeakPolarHBondContact O-CG1 3.45Å; T42-V141 WeakPolarHBondContact O-CG2 3.32Å
43V80.2Confident84.8Confident40 Ų4063.2 Ų63.224%0.24231%0.312CS..Hα-helixtrans-115.4-41.2-179.5-177.50000112.2R40 D41 F140 V141R40-V43 PolarHBondContact O-N 3.33Å; D41-V43 PolarHBondContact O-N 3.03Å; V43-F140 WeakPolarHBondContact O-CA 3.48Å; V43-V141 PolarHBondContact O-N 3.44Å
44F86.7Confident85.7Confident104 Ų10459.2 Ų59.246%0.45628%0.284SS..Hα-helixtrans-113.8-3.6-161.4-65.8-71.9000116.2R40 R139 F140R40-F44 HydrophobicContact CG-CB 4.32Å; R40-F44 HydrophobicContact CG-CD2 3.76Å; R40-F44 HydrophobicContact CG-CG 4.47Å; R40-F44 PolarHBondContact O-N 3.28Å; F44-R139 CarbonylContact C-O 3.57Å; F44-R139 WeakPolarHBondContact CA-O 3.29Å; F44-F140 HydrophobicContact CD1-CD1 4.3Å; F44-F140 AromaticContact CD1-CE1 3.92Å; F44-F140 HydrophobicContact CD1-CE1 3.92Å; F44-F140 HydrophobicContact CD1-CZ 4.39Å; F44-F140 HydrophobicContact CE1-CD1 4.17Å; F44-F140 AromaticContact CE1-CE1 3.48Å; F44-F140 HydrophobicContact CE1-CE1 3.48Å; F44-F140 VanDerWaalsContact CE1-CE1 3.48Å; F44-F140 HydrophobicContact CE1-CZ 4.08Å
45R85.4Confident86.7Confident51 Ų5153.2 Ų53.219%0.19226%0.259CS..SBendtrans-105.1139178.2-173.3171.4178.9-172-5110.1T31 D41 I47 E49 Q50 V141T31-R45 PolarHBondContact O-NH1 3.06Å; D41-R45 HydrophobicContact CB-CB 3.89Å; D41-R45 PolarHBondContact O-N 3.1Å; D41-R45 VanDerWaalsContact OD1-CD 3.32Å; D41-R45 WeakPolarHBondContact OD1-CD 3.36Å; D41-R45 VanDerWaalsContact OD2-CD 3.25Å; D41-R45 WeakPolarHBondContact OD2-CD 3.46Å; D41-R45 IonicContact OD2-CZ 3.6Å; D41-R45 IonicContact OD2-NH1 3.61Å; D41-R45 PolarHBondContact OD2-NH1 3.28Å; R45-I47 PolarHBondContact O-N 2.82Å; R45-E49 HydrophobicContact CG-CB 4.17Å; R45-E49 WeakPolarHBondContact CG-OE2 3.49Å; R45-E49 PolarHBondContact NH2-O 2.94Å; R45-Q50 HydrophobicContact CB-CG 4.25Å; R45-Q50 HydrophobicContact CG-CG 4.09Å; R45-Q50 PolarHBondContact O-NE2 2.98Å; R45-V141 WeakPolarHBondContact O-CG2 3.37Å
46S92.2Very high87.6Confident14 Ų1451.9 Ų51.910%0.09825%0.251CS..  trans-56.5141.7178.574.90000110.6N48 E49 Q50S46-N48 PolarHBondContact O-N 2.8Å; S46-E49 PolarHBondContact N-OE2 2.96Å; S46-E49 PolarHBondContact O-N 2.83Å; S46-E49 VanDerWaalsContact OG-CB 3.29Å; S46-E49 WeakPolarHBondContact OG-CB 3.42Å; S46-E49 WeakPolarHBondContact OG-CG 3.43Å; S46-E49 PolarHBondContact OG-N 2.82Å; S46-E49 PolarHBondContact OG-OE2 3.49Å; S46-Q50 WeakPolarHBondContact O-CG 3.31Å; S46-Q50 PolarHBondContact O-N 2.79Å; S46-Q50 VanDerWaalsContact O-N 3.14Å
47I94.3Very high88.6Confident1 Ų144.7 Ų44.71%0.00522%0.221CC..Hα-helixtrans-63.9-37.7-178.3-66.5173.7000109.6R45 E49 Q50 L51 L79 V141 Q144 Y145 F161R45-I47 PolarHBondContact O-N 2.82Å; I47-E49 PolarHBondContact O-N 2.81Å; I47-Q50 WeakPolarHBondContact O-CB 3.37Å; I47-Q50 PolarHBondContact O-N 2.83Å; I47-Q50 VanDerWaalsContact O-N 3.16Å; I47-L51 HydrophobicContact CG2-CD1 3.95Å; I47-L51 HydrophobicContact CG2-CG 4.12Å; I47-L51 VanDerWaalsContact O-CG 3.27Å; I47-L51 WeakPolarHBondContact O-CG 3.31Å; I47-L51 PolarHBondContact O-N 3.02Å; I47-L79 HydrophobicContact CB-CD2 4.5Å; I47-L79 HydrophobicContact CD1-CD2 4.48Å; I47-L79 HydrophobicContact CG1-CD2 4.47Å; I47-L79 HydrophobicContact CG2-CD2 3.33Å; I47-V141 HydrophobicContact CD1-CG1 4.02Å; I47-V141 HydrophobicContact CG1-CB 4.45Å; I47-V141 HydrophobicContact CG1-CG1 4.03Å; I47-V141 HydrophobicContact CG1-CG2 4.17Å; I47-Q144 HydrophobicContact CD1-CB 3.67Å; I47-Q144 HydrophobicContact CG1-CB 4.31Å; I47-Y145 HydrophobicContact CD1-CD1 3.85Å; I47-Y145 HydrophobicContact CD1-CE1 4.31Å; I47-F161 HydrophobicContact CB-CD1 4.19Å; I47-F161 HydrophobicContact CB-CD2 4.11Å; I47-F161 HydrophobicContact CB-CE1 4.38Å; I47-F161 HydrophobicContact CB-CE2 4.38Å; I47-F161 HydrophobicContact CB-CG 4.01Å; I47-F161 HydrophobicContact CB-CZ 4.49Å; I47-F161 HydrophobicContact CD1-CD1 3.38Å; I47-F161 HydrophobicContact CD1-CE1 3.61Å; I47-F161 HydrophobicContact CD1-CG 4Å; I47-F161 HydrophobicContact CD1-CZ 4.45Å; I47-F161 HydrophobicContact CG1-CD1 4.38Å; I47-F161 HydrophobicContact CG2-CD1 3.97Å; I47-F161 HydrophobicContact CG2-CD2 3.64Å; I47-F161 HydrophobicContact CG2-CE1 3.71Å; I47-F161 HydrophobicContact CG2-CE2 3.44Å; I47-F161 VanDerWaalsContact CG2-CE2 3.44Å; I47-F161 HydrophobicContact CG2-CG 3.91Å; I47-F161 HydrophobicContact CG2-CZ 3.45Å; I47-F161 VanDerWaalsContact CG2-CZ 3.45Å
48N94.8Very high89.4Confident39 Ų3942.1 Ų42.121%0.20921%0.209CC..Hα-helixtrans-59.8-43.8177.4-67-44.2000112.1S46 Q50 L51 D52 K86 Q160S46-N48 PolarHBondContact O-N 2.8Å; N48-Q50 VanDerWaalsContact C-N 3.33Å; N48-Q50 PolarHBondContact O-N 2.9Å; N48-L51 PolarHBondContact O-N 3.49Å; N48-D52 PolarHBondContact O-N 3.15Å; N48-K86 PolarHBondContact OD1-NZ 3.45Å; N48-Q160 PolarHBondContact ND2-O 3.11Å
49E93.6Very high90.2Very high99 Ų9947.3 Ų47.346%0.46323%0.233SC..Hα-helixtrans-65.7-34.7175.4-72.5166148.500112.9R45 S46 I47 Y53R45-E49 HydrophobicContact CG-CB 4.17Å; R45-E49 WeakPolarHBondContact CG-OE2 3.49Å; R45-E49 PolarHBondContact NH2-O 2.94Å; S46-E49 PolarHBondContact N-OE2 2.96Å; S46-E49 PolarHBondContact O-N 2.83Å; S46-E49 VanDerWaalsContact OG-CB 3.29Å; S46-E49 WeakPolarHBondContact OG-CB 3.42Å; S46-E49 WeakPolarHBondContact OG-CG 3.43Å; S46-E49 PolarHBondContact OG-N 2.82Å; S46-E49 PolarHBondContact OG-OE2 3.49Å; I47-E49 PolarHBondContact O-N 2.81Å; E49-Y53 WeakPolarHBondContact O-CB 3.09Å; E49-Y53 PolarHBondContact O-N 2.84Å; E49-Y53 VanDerWaalsContact O-N 3.12Å
50Q93.4Very high91.2Very high6 Ų652.9 Ų52.93%0.02825%0.252CS..Hα-helixtrans-63.9-45173.3-66.3177.248.900110.4T31 D41 R45 S46 I47 N48 Y53 V54T31-Q50 HydrophobicContact CG2-CB 4Å; T31-Q50 HydrophobicContact CG2-CG 3.93Å; D41-Q50 PolarHBondContact O-NE2 3.4Å; R45-Q50 HydrophobicContact CB-CG 4.25Å; R45-Q50 HydrophobicContact CG-CG 4.09Å; R45-Q50 PolarHBondContact O-NE2 2.98Å; S46-Q50 WeakPolarHBondContact O-CG 3.31Å; S46-Q50 PolarHBondContact O-N 2.79Å; S46-Q50 VanDerWaalsContact O-N 3.14Å; I47-Q50 WeakPolarHBondContact O-CB 3.37Å; I47-Q50 PolarHBondContact O-N 2.83Å; I47-Q50 VanDerWaalsContact O-N 3.16Å; N48-Q50 VanDerWaalsContact C-N 3.33Å; N48-Q50 PolarHBondContact O-N 2.9Å; Q50-Y53 PolarHBondContact O-N 3Å; Q50-V54 WeakPolarHBondContact O-CB 3.26Å; Q50-V54 VanDerWaalsContact O-CG2 3.23Å; Q50-V54 WeakPolarHBondContact O-CG2 3.25Å; Q50-V54 PolarHBondContact O-N 2.73Å
51L95.7Very high91.9Very high6 Ų647.3 Ų47.33%0.03123%0.233CC..Hα-helixtrans-62.1-45.5178.2-67.3172.7000111.4I47 N48 Y53 V54 C55 A82 L83 K86 F161I47-L51 HydrophobicContact CG2-CD1 3.95Å; I47-L51 HydrophobicContact CG2-CG 4.12Å; I47-L51 VanDerWaalsContact O-CG 3.27Å; I47-L51 WeakPolarHBondContact O-CG 3.31Å; I47-L51 PolarHBondContact O-N 3.02Å; N48-L51 PolarHBondContact O-N 3.49Å; L51-Y53 PolarHBondContact O-N 3.48Å; L51-V54 PolarHBondContact O-N 3.41Å; L51-C55 WeakPolarHBondContact O-CB 3.26Å; L51-C55 PolarHBondContact O-N 3.2Å; L51-C55 PolarHBondContact O-SG 3.21Å; L51-A82 HydrophobicContact CD1-CB 3.63Å; L51-A82 HydrophobicContact CD2-CB 3.97Å; L51-A82 HydrophobicContact CG-CB 4.49Å; L51-L83 HydrophobicContact CB-CD2 4.35Å; L51-L83 HydrophobicContact CD2-CD2 3.58Å; L51-L83 HydrophobicContact CD2-CG 3.61Å; L51-K86 HydrophobicContact CD1-CD 3.9Å; L51-F161 HydrophobicContact CD1-CD2 4.36Å; L51-F161 HydrophobicContact CD1-CE2 3.63Å; L51-F161 HydrophobicContact CD1-CZ 4.4Å
52D95.1Very high92.5Very high112 Ų11255.7 Ų55.760%0.59927%0.269SS*.Hα-helixtrans-61-44.3178.8-70.9-19.6000111.8N48 V54 C55 G56N48-D52 PolarHBondContact O-N 3.15Å; D52-V54 VanDerWaalsContact C-N 3.35Å; D52-V54 PolarHBondContact O-N 3.33Å; D52-C55 PolarHBondContact O-N 2.92Å; D52-G56 PolarHBondContact O-N 2.89Å
53Y93.9Very high93.4Very high84 Ų8462.2 Ų62.233%0.32930%0.296SS..Hα-helixtrans-59.9-45.6175.5-178.5-95.5000111.7S30 T31 S33 E49 Q50 L51 G56 M57S30-Y53 WeakPolarHBondContact O-CE1 3.24Å; T31-Y53 VanDerWaalsContact C-CE1 3.46Å; T31-Y53 WeakPolarHBondContact O-CD1 3.44Å; T31-Y53 VanDerWaalsContact O-CE1 3.3Å; T31-Y53 WeakPolarHBondContact O-CE1 3.42Å; S33-Y53 PolarHBondContact N-OH 3.34Å; E49-Y53 WeakPolarHBondContact O-CB 3.09Å; E49-Y53 PolarHBondContact O-N 2.84Å; E49-Y53 VanDerWaalsContact O-N 3.12Å; Q50-Y53 PolarHBondContact O-N 3Å; L51-Y53 PolarHBondContact O-N 3.48Å; Y53-G56 PolarHBondContact O-N 2.91Å; Y53-M57 HydrophobicContact CD1-CE 4.14Å; Y53-M57 HydrophobicContact CE1-CE 3.39Å; Y53-M57 PolarHBondContact O-N 2.62Å
54V95.1Very high94.2Very high6 Ų661.3 Ų61.34%0.03629%0.29CS..Hα-helixtrans-71.1-40.3-1791740000111.9I29 Q50 L51 D52 G56 M57 I58 L83I29-V54 HydrophobicContact CD1-CG1 4.25Å; I29-V54 HydrophobicContact CG2-CB 4.21Å; I29-V54 HydrophobicContact CG2-CG1 3.66Å; I29-V54 HydrophobicContact CG2-CG2 3.4Å; I29-V54 VanDerWaalsContact CG2-CG2 3.4Å; Q50-V54 WeakPolarHBondContact O-CB 3.26Å; Q50-V54 VanDerWaalsContact O-CG2 3.23Å; Q50-V54 WeakPolarHBondContact O-CG2 3.25Å; Q50-V54 PolarHBondContact O-N 2.73Å; L51-V54 PolarHBondContact O-N 3.41Å; D52-V54 VanDerWaalsContact C-N 3.35Å; D52-V54 PolarHBondContact O-N 3.33Å; V54-G56 VanDerWaalsContact C-N 3.29Å; V54-G56 PolarHBondContact O-N 3.15Å; V54-M57 PolarHBondContact O-N 2.99Å; V54-I58 HydrophobicContact CG1-CD1 3.76Å; V54-I58 HydrophobicContact CG1-CG1 4.32Å; V54-I58 WeakPolarHBondContact O-CG1 3.32Å; V54-I58 PolarHBondContact O-N 2.83Å; V54-L83 HydrophobicContact CB-CD2 4.07Å; V54-L83 HydrophobicContact CG1-CD1 3.67Å; V54-L83 HydrophobicContact CG1-CD2 3.84Å; V54-L83 HydrophobicContact CG1-CG 4.44Å
55C96.7Very high94.5Very high16 Ų1659.5 Ų59.511%0.10829%0.29CS..Hα-helixtrans-54.2-49.4171.8-65.50000109.6L51 D52 M57 I58 H59 C87L51-C55 WeakPolarHBondContact O-CB 3.26Å; L51-C55 PolarHBondContact O-N 3.2Å; L51-C55 PolarHBondContact O-SG 3.21Å; D52-C55 PolarHBondContact O-N 2.92Å; C55-M57 PolarHBondContact O-N 3.48Å; C55-I58 PolarHBondContact O-N 3.41Å; C55-H59 PolarHBondContact O-CD2 3.11Å; C55-H59 PolarHBondContact O-N 2.92Å; C55-C87 HydrophobicContact CB-CB 3.93Å; C55-C87 WeakPolarHBondContact CB-SG 3.27Å; C55-C87 WeakPolarHBondContact SG-CB 3.21Å; C55-C87 CovalentContact SG-SG 2.03Å; C55-C87 PolarHBondContact SG-SG 3.35Å
56G95.6Very high94.9Very high29 Ų2964.1 Ų64.130%0.29932%0.319SS..Hα-helixtrans-63.4-37.8178.800000113.6D52 Y53 V54 K60D52-G56 PolarHBondContact O-N 2.89Å; Y53-G56 PolarHBondContact O-N 2.91Å; V54-G56 VanDerWaalsContact C-N 3.29Å; V54-G56 PolarHBondContact O-N 3.15Å; G56-K60 WeakPolarHBondContact O-CG 3.39Å; G56-K60 PolarHBondContact O-N 3.46Å
57M94.1Very high95.1Very high34 Ų3464.5 Ų64.517%0.16733%0.325CS..Hα-helixtrans-62.8-48174.2-174.4-171.1-59.400111.4K27 S30 Y53 V54 C55 K60 D61K27-M57 WeakPolarHBondContact CE-SD 3.11Å; S30-M57 VanDerWaalsContact O-CE 3.25Å; S30-M57 WeakPolarHBondContact O-CE 3.19Å; Y53-M57 HydrophobicContact CD1-CE 4.14Å; Y53-M57 HydrophobicContact CE1-CE 3.39Å; Y53-M57 PolarHBondContact O-N 2.62Å; V54-M57 PolarHBondContact O-N 2.99Å; C55-M57 PolarHBondContact O-N 3.48Å; M57-K60 PolarHBondContact O-N 3.21Å; M57-D61 PolarHBondContact O-N 3.35Å
58I96Very high95.2Very high11 Ų1165.6 Ų65.66%0.05633%0.33CS..Hα-helixtrans-65.3-42.9-178.2-68.7169.7000110.6I29 V54 C55 K60 D61 L64 F68 L83 F89I29-I58 HydrophobicContact CD1-CD1 4.39Å; I29-I58 HydrophobicContact CD1-CG1 4.34Å; V54-I58 HydrophobicContact CG1-CD1 3.76Å; V54-I58 HydrophobicContact CG1-CG1 4.32Å; V54-I58 WeakPolarHBondContact O-CG1 3.32Å; V54-I58 PolarHBondContact O-N 2.83Å; C55-I58 PolarHBondContact O-N 3.41Å; I58-K60 PolarHBondContact O-N 3.23Å; I58-D61 PolarHBondContact O-N 3.09Å; I58-D61 VanDerWaalsContact O-N 3.09Å; I58-L64 HydrophobicContact CB-CD1 4.49Å; I58-L64 HydrophobicContact CG1-CD1 4.33Å; I58-L64 HydrophobicContact CG2-CD1 4.04Å; I58-F68 HydrophobicContact CG2-CD1 4.48Å; I58-F68 HydrophobicContact CG2-CE1 3.71Å; I58-F68 HydrophobicContact CG2-CE2 4.41Å; I58-F68 HydrophobicContact CG2-CZ 3.67Å; I58-L83 HydrophobicContact CD1-CD1 4.49Å; I58-F89 HydrophobicContact CB-CE1 3.82Å; I58-F89 HydrophobicContact CB-CZ 3.98Å; I58-F89 HydrophobicContact CD1-CE1 4.49Å; I58-F89 HydrophobicContact CD1-CE2 4.43Å; I58-F89 HydrophobicContact CD1-CZ 3.78Å; I58-F89 HydrophobicContact CG1-CZ 4.49Å; I58-F89 HydrophobicContact CG2-CD1 4.05Å; I58-F89 HydrophobicContact CG2-CE1 3.42Å; I58-F89 VanDerWaalsContact CG2-CE1 3.42Å; I58-F89 HydrophobicContact CG2-CZ 3.78Å
59H95.7Very high95.4Very high112 Ų11267.5 Ų67.552%0.51934%0.337SS..Hα-helixtrans-61.2-29177.4-82.2-62000113.9C55 N88 F89C55-H59 PolarHBondContact O-CD2 3.11Å; C55-H59 PolarHBondContact O-N 2.92Å; H59-N88 PolarHBondContact CE1-O 2.96Å; H59-F89 AromaticContact CE1-CD1 3.81Å; H59-F89 AromaticContact NE2-CD1 3.89Å; H59-F89 AromaticContact NE2-CE1 3.87Å
60K95.5Very high95.6Very high181 Ų18163.3 Ų63.379%0.78732%0.318SS*.Hα-helixtrans-82.5-14.6177.8-70.8173.6-176.6177.20113.3G56 M57 I58 K62G56-K60 WeakPolarHBondContact O-CG 3.39Å; G56-K60 PolarHBondContact O-N 3.46Å; M57-K60 PolarHBondContact O-N 3.21Å; I58-K60 PolarHBondContact O-N 3.23Å; K60-K62 PolarHBondContact O-N 3.07Å
61D95.9Very high95.8Very high26 Ų2665.3 Ų65.314%0.13933%0.329CS..  trans-86.9101-177.5-164.3-26.1000111.4Y25 M57 I58 K63 L64Y25-D61 WeakPolarHBondContact CE1-OD2 3.34Å; Y25-D61 PolarHBondContact OH-OD2 3.3Å; M57-D61 PolarHBondContact O-N 3.35Å; I58-D61 PolarHBondContact O-N 3.09Å; I58-D61 VanDerWaalsContact O-N 3.09Å; D61-K63 PolarHBondContact O-N 3.04Å; D61-K63 VanDerWaalsContact O-N 3.08Å; D61-K63 WeakPolarHBondContact OD1-CB 3.42Å; D61-K63 PolarHBondContact OD1-N 3.02Å; D61-L64 HydrophobicContact CB-CB 4.41Å; D61-L64 HydrophobicContact CB-CD1 3.94Å; D61-L64 HydrophobicContact CB-CG 4.02Å; D61-L64 PolarHBondContact O-N 3.34Å
62K96.2Very high95.8Very high187 Ų18765.2 Ų65.281%0.81333%0.329SS*.THydrogen-bonded Turntrans-58.5-22.1178.9-65-174179.3-177.50113.5K60 L64 S65K60-K62 PolarHBondContact O-N 3.07Å; K62-L64 PolarHBondContact O-N 3.4Å; K62-S65 PolarHBondContact O-OG 2.95Å; K62-S65 VanDerWaalsContact O-OG 3.1Å
63K96.3Very high95.8Very high148 Ų14860.5 Ų60.564%0.64330%0.303SS*.THydrogen-bonded Turntrans-76.1-12.4177.3-63.4-176.4178-1780112.8Y25 D61Y25-K63 HydrophobicContact CD1-CB 3.46Å; Y25-K63 VanDerWaalsContact CD1-CB 3.46Å; Y25-K63 HydrophobicContact CD1-CD 3.92Å; Y25-K63 HydrophobicContact CD1-CG 4.34Å; Y25-K63 HydrophobicContact CD2-CD 3.6Å; Y25-K63 HydrophobicContact CE1-CB 3.7Å; Y25-K63 HydrophobicContact CE1-CD 4.01Å; Y25-K63 HydrophobicContact CE1-CG 4.45Å; Y25-K63 HydrophobicContact CE2-CD 3.71Å; Y25-K63 HydrophobicContact CG-CB 4.01Å; Y25-K63 HydrophobicContact CG-CD 3.72Å; D61-K63 PolarHBondContact O-N 3.04Å; D61-K63 VanDerWaalsContact O-N 3.08Å; D61-K63 WeakPolarHBondContact OD1-CB 3.42Å; D61-K63 PolarHBondContact OD1-N 3.02Å
64L96.2Very high95.9Very high22 Ų2257.1 Ų57.112%0.11529%0.292CS..SBendtrans-105.4-3.6179.3-54.7-178.6000112.8Y25 I58 D61 K62 N66 G67 F68Y25-L64 HydrophobicContact CD1-CD2 3.84Å; Y25-L64 HydrophobicContact CE1-CD2 3.99Å; Y25-L64 HydrophobicContact CE1-CG 4.29Å; I58-L64 HydrophobicContact CB-CD1 4.49Å; I58-L64 HydrophobicContact CG1-CD1 4.33Å; I58-L64 HydrophobicContact CG2-CD1 4.04Å; D61-L64 HydrophobicContact CB-CB 4.41Å; D61-L64 HydrophobicContact CB-CD1 3.94Å; D61-L64 HydrophobicContact CB-CG 4.02Å; D61-L64 PolarHBondContact O-N 3.34Å; K62-L64 PolarHBondContact O-N 3.4Å; L64-N66 VanDerWaalsContact C-N 3.31Å; L64-N66 PolarHBondContact O-N 3.04Å; L64-G67 PolarHBondContact O-N 3.24Å; L64-G67 VanDerWaalsContact O-N 3.11Å; L64-F68 HydrophobicContact CB-CD1 3.96Å; L64-F68 HydrophobicContact CB-CG 4.45Å; L64-F68 HydrophobicContact CD2-CB 3.97Å; L64-F68 WeakPolarHBondContact O-CD1 3.01Å
65S93.6Very high95.7Very high66 Ų6657.4 Ų57.446%0.46229%0.293SS..THydrogen-bonded Turntrans-66.4-28.2-171.865.80000114.7K62 G67 S90K62-S65 PolarHBondContact O-OG 2.95Å; K62-S65 VanDerWaalsContact O-OG 3.1Å; S65-G67 PolarHBondContact O-N 3.04Å; S65-S90 PolarHBondContact O-OG 3.48Å
66N93Very high95.6Very high147 Ų14757.4 Ų57.479%0.78630%0.295SS*.THydrogen-bonded Turntrans-85.6-0.2179.5-65.6-12.9000112.8L64 N91L64-N66 VanDerWaalsContact C-N 3.31Å; L64-N66 PolarHBondContact O-N 3.04Å; N66-N91 PolarHBondContact O-ND2 3.08Å
67G95.9Very high95.7Very high23 Ų2356 Ų5624%0.23728%0.281CS..  trans113.1160.3-179.400000112.9L64 S65 N91L64-G67 PolarHBondContact O-N 3.24Å; L64-G67 VanDerWaalsContact O-N 3.11Å; S65-G67 PolarHBondContact O-N 3.04Å; G67-N91 WeakPolarHBondContact CA-O 3.44Å
68F97.8Very high95.9Very high24 Ų2454.4 Ų54.411%0.10527%0.274CS..EExtended strand (participates in β ladder)trans-154.6168.8-17255.5-87.6000111.5I58 L64 M70 F89 N91 V92 G93I58-F68 HydrophobicContact CG2-CD1 4.48Å; I58-F68 HydrophobicContact CG2-CE1 3.71Å; I58-F68 HydrophobicContact CG2-CE2 4.41Å; I58-F68 HydrophobicContact CG2-CZ 3.67Å; L64-F68 HydrophobicContact CB-CD1 3.96Å; L64-F68 HydrophobicContact CB-CG 4.45Å; L64-F68 HydrophobicContact CD2-CB 3.97Å; L64-F68 WeakPolarHBondContact O-CD1 3.01Å; F68-M70 HydrophobicContact CD2-CG 3.8Å; F68-M70 HydrophobicContact CE2-CE 4.13Å; F68-M70 HydrophobicContact CE2-CG 3.64Å; F68-M70 HydrophobicContact CE2-SD 3.84Å; F68-F89 HydrophobicContact CE1-CB 4.29Å; F68-F89 HydrophobicContact CE1-CD1 4.2Å; F68-F89 HydrophobicContact CE1-CD2 4.4Å; F68-F89 HydrophobicContact CE1-CG 4.06Å; F68-F89 HydrophobicContact CE2-CD2 4.36Å; F68-F89 HydrophobicContact CE2-CE2 4.35Å; F68-F89 HydrophobicContact CZ-CB 4.19Å; F68-F89 AromaticContact CZ-CD1 3.96Å; F68-F89 HydrophobicContact CZ-CD1 3.96Å; F68-F89 AromaticContact CZ-CD2 3.54Å; F68-F89 HydrophobicContact CZ-CD2 3.54Å; F68-F89 HydrophobicContact CZ-CE1 4.18Å; F68-F89 AromaticContact CZ-CE2 3.73Å; F68-F89 HydrophobicContact CZ-CE2 3.73Å; F68-F89 AromaticContact CZ-CG 3.63Å; F68-F89 HydrophobicContact CZ-CG 3.63Å; F68-F89 HydrophobicContact CZ-CZ 4.06Å; F68-N91 PolarHBondContact N-O 3.23Å; F68-V92 HydrophobicContact CZ-CG2 4.39Å; F68-G93 PolarHBondContact O-N 3.03Å
69H97.9Very high95.9Very high78 Ų7855.2 Ų55.236%0.36128%0.278SS..EExtended strand (participates in β ladder)trans-108.4153.4170-58.7-31.7000109.4G93 T94 L266H69-G93 WeakPolarHBondContact ND1-CA 3.22Å; H69-T94 WeakPolarHBondContact CA-O 3.36Å; H69-T94 PolarHBondContact ND1-N 3.23Å; H69-L266 HydrophobicContact CB-CD2 3.73Å
70M98Very high96Very high12 Ų1250.6 Ų50.66%0.05926%0.257CS..EExtended strand (participates in β ladder)trans-122.1136.1175.8-67.1-170.2-83.400110.1F68 V80 L83 A84 V92 T94 V95 V96F68-M70 HydrophobicContact CD2-CG 3.8Å; F68-M70 HydrophobicContact CE2-CE 4.13Å; F68-M70 HydrophobicContact CE2-CG 3.64Å; F68-M70 HydrophobicContact CE2-SD 3.84Å; M70-V80 HydrophobicContact CB-CB 3.89Å; M70-V80 HydrophobicContact CB-CG1 3.98Å; M70-V80 WeakPolarHBondContact CE-O 3.36Å; M70-V80 HydrophobicContact SD-CB 4.18Å; M70-V80 HydrophobicContact SD-CG1 4.43Å; M70-L83 HydrophobicContact CE-CB 4.36Å; M70-L83 HydrophobicContact SD-CB 4.04Å; M70-L83 HydrophobicContact SD-CD1 4.12Å; M70-A84 HydrophobicContact CE-CB 3.79Å; M70-V92 HydrophobicContact CE-CG1 3.71Å; M70-T94 PolarHBondContact N-O 2.76Å; M70-V95 HydrophobicContact CE-CG2 4.02Å; M70-V96 PolarHBondContact O-N 3.31Å
71I97.5Very high96.2Very high48 Ų4842 Ų4225%0.24622%0.22CC..EExtended strand (participates in β ladder)trans-123.2120.7170.9-53179.3000107.3I17 I73 V96 I98 F257 L262 L266I17-I71 HydrophobicContact CD1-CD1 3.84Å; I71-I73 HydrophobicContact CG2-CG1 4.48Å; I71-V96 WeakPolarHBondContact CA-O 3.45Å; I71-V96 HydrophobicContact CB-CB 4.44Å; I71-V96 HydrophobicContact CG1-CB 4.18Å; I71-V96 HydrophobicContact CG1-CG2 4.3Å; I71-V96 HydrophobicContact CG2-CB 4.28Å; I71-V96 HydrophobicContact CG2-CG1 4.42Å; I71-I98 HydrophobicContact CG2-CD1 4.16Å; I71-F257 HydrophobicContact CD1-CZ 4.04Å; I71-L262 HydrophobicContact CD1-CD2 4.14Å; I71-L266 HydrophobicContact CD1-CD1 3.6Å; I71-L266 HydrophobicContact CG1-CD1 4.16Å
72G96.7Very high96.3Very high3 Ų340.8 Ų40.83%0.03121%0.213CC..EExtended strand (participates in β ladder)trans-112.8135.2172.800000110.4G76 V96 I98G72-G76 WeakPolarHBondContact CA-O 3.42Å; G72-V96 PolarHBondContact N-O 3.42Å; G72-I98 PolarHBondContact O-N 3.17Å
73I94.7Very high96.4Very high13 Ų1332.3 Ų32.37%0.06718%0.177CC..EExtended strand (participates in β ladder)trans-115.1135.2179.9-68.4169.4000108.3M10 V13 I71 Q75 G76 I98 L250M10-I73 HydrophobicContact CE-CB 4.35Å; M10-I73 HydrophobicContact CE-CD1 3.45Å; M10-I73 VanDerWaalsContact CE-CD1 3.45Å; M10-I73 HydrophobicContact CE-CG1 4.46Å; M10-I73 HydrophobicContact CE-CG2 4.41Å; M10-I73 HydrophobicContact SD-CD1 3.91Å; V13-I73 HydrophobicContact CG1-CD1 4.49Å; V13-I73 HydrophobicContact CG2-CD1 4.02Å; I71-I73 HydrophobicContact CG2-CG1 4.48Å; I73-Q75 PolarHBondContact O-N 3.19Å; I73-G76 WeakPolarHBondContact O-CA 3.3Å; I73-G76 PolarHBondContact O-N 3.02Å; I73-I98 HydrophobicContact CG1-CB 4.33Å; I73-I98 HydrophobicContact CG1-CD1 4.43Å; I73-L250 HydrophobicContact CG2-CD1 3.5Å; I73-L250 HydrophobicContact CG2-CD2 3.74Å; I73-L250 HydrophobicContact CG2-CG 4.26Å
74S94.5Very high96.5Very high13 Ų1325.3 Ų25.39%0.09115%0.147CC..THydrogen-bonded Turntrans51.2-127.4-173.8-164.40000111.2D3 G76 G77 I98 G99 G100 H249D3-S74 VanDerWaalsContact OD2-CB 3.26Å; D3-S74 WeakPolarHBondContact OD2-CB 3.24Å; S74-G76 PolarHBondContact O-N 3.2Å; S74-G77 PolarHBondContact O-N 2.95Å; S74-I98 PolarHBondContact N-O 3.1Å; S74-G99 WeakPolarHBondContact CA-O 3.33Å; S74-G100 WeakPolarHBondContact O-CA 3.45Å; S74-H249 WeakPolarHBondContact CB-NE2 3.35Å; S74-H249 PolarHBondContact OG-NE2 2.66Å
75Q92.8Very high96.6Very high12 Ų1224.3 Ų24.36%0.05614%0.141CC..Hα-helixtrans-50.8-33.1174.177.9-177.280.600112.9M1 I73 G77 L78 L79M1-Q75 PolarHBondContact SD-OE1 3.09Å; I73-Q75 PolarHBondContact O-N 3.19Å; Q75-G77 PolarHBondContact O-N 3.08Å; Q75-G77 VanDerWaalsContact O-N 3.17Å; Q75-L78 WeakPolarHBondContact O-CB 3.43Å; Q75-L78 PolarHBondContact O-N 2.97Å; Q75-L79 WeakPolarHBondContact O-CG 3.02Å; Q75-L79 PolarHBondContact O-N 3.33Å; Q75-L79 VanDerWaalsContact O-N 3.15Å
76G94.2Very high96.8Very high16 Ų1623.5 Ų23.517%0.16513%0.13CC..Hα-helixtrans-58.6-2917800000112.5G72 I73 S74 L78 L79 V80G72-G76 WeakPolarHBondContact CA-O 3.42Å; I73-G76 WeakPolarHBondContact O-CA 3.3Å; I73-G76 PolarHBondContact O-N 3.02Å; S74-G76 PolarHBondContact O-N 3.2Å; G76-L78 VanDerWaalsContact C-N 3.31Å; G76-L78 PolarHBondContact O-N 3.34Å; G76-L79 PolarHBondContact O-N 3.42Å; G76-V80 WeakPolarHBondContact O-CG1 3.49Å; G76-V80 WeakPolarHBondContact O-CG2 3.36Å; G76-V80 PolarHBondContact O-N 3.2Å
77G97.2Very high97Very high0 Ų016.8 Ų16.80%09%0.094CC..Hα-helixtrans-62.4-35.4174.300000113.2S74 Q75 V80 Q102S74-G77 PolarHBondContact O-N 2.95Å; Q75-G77 PolarHBondContact O-N 3.08Å; Q75-G77 VanDerWaalsContact O-N 3.17Å; G77-V80 WeakPolarHBondContact O-CG2 3.36Å; G77-Q102 PolarHBondContact O-NE2 3.17Å
78L97.7Very high96.9Very high1 Ų121.6 Ų21.61%0.00512%0.115CC..Hα-helixtrans-72.5-42.1171.3179.560000111Q75 G76 R81 A82 L101 Y145 F161 L162 I165Q75-L78 WeakPolarHBondContact O-CB 3.43Å; Q75-L78 PolarHBondContact O-N 2.97Å; G76-L78 VanDerWaalsContact C-N 3.31Å; G76-L78 PolarHBondContact O-N 3.34Å; L78-R81 WeakPolarHBondContact O-CB 3.45Å; L78-R81 PolarHBondContact O-N 2.86Å; L78-A82 PolarHBondContact O-N 2.81Å; L78-L101 HydrophobicContact CB-CD1 3.83Å; L78-L101 HydrophobicContact CD2-CD1 3.27Å; L78-L101 HydrophobicContact CG-CD1 4.13Å; L78-Y145 HydrophobicContact CD2-CD1 4.39Å; L78-Y145 HydrophobicContact CD2-CG 4.39Å; L78-F161 HydrophobicContact CD2-CD1 4.38Å; L78-F161 HydrophobicContact CD2-CE1 3.52Å; L78-F161 HydrophobicContact CD2-CZ 4.29Å; L78-F161 HydrophobicContact CG-CE1 3.86Å; L78-F161 HydrophobicContact CG-CZ 4.14Å; L78-L162 HydrophobicContact CD1-CD1 4.23Å; L78-L162 HydrophobicContact CD2-CD1 3.99Å; L78-I165 HydrophobicContact CD1-CD1 3.57Å; L78-I165 HydrophobicContact CG-CD1 4.11Å
79L97.3Very high96.8Very high27 Ų2721.6 Ų21.614%0.14111%0.114CC..Hα-helixtrans-64.7-42-177.8-59.6-175.3000112.7I47 Q75 G76 R81 A82 L83 F161I47-L79 HydrophobicContact CB-CD2 4.5Å; I47-L79 HydrophobicContact CD1-CD2 4.48Å; I47-L79 HydrophobicContact CG1-CD2 4.47Å; I47-L79 HydrophobicContact CG2-CD2 3.33Å; Q75-L79 WeakPolarHBondContact O-CG 3.02Å; Q75-L79 PolarHBondContact O-N 3.33Å; Q75-L79 VanDerWaalsContact O-N 3.15Å; G76-L79 PolarHBondContact O-N 3.42Å; L79-R81 VanDerWaalsContact C-N 3.29Å; L79-R81 PolarHBondContact O-N 2.94Å; L79-A82 WeakPolarHBondContact O-CB 3.42Å; L79-A82 PolarHBondContact O-N 2.8Å; L79-A82 VanDerWaalsContact O-N 3.12Å; L79-L83 WeakPolarHBondContact O-CG 3.43Å; L79-L83 PolarHBondContact O-N 2.88Å; L79-F161 HydrophobicContact CD2-CE1 4.41Å; L79-F161 HydrophobicContact CD2-CZ 4.11Å
80V97.9Very high96.4Very high15 Ų1522.8 Ų22.89%0.09113%0.132CC..Hα-helixtrans-66.9-30.9177.3-63.90000112.7M70 G76 G77 A84 V95M70-V80 HydrophobicContact CB-CB 3.89Å; M70-V80 HydrophobicContact CB-CG1 3.98Å; M70-V80 WeakPolarHBondContact CE-O 3.36Å; M70-V80 HydrophobicContact SD-CB 4.18Å; M70-V80 HydrophobicContact SD-CG1 4.43Å; G76-V80 WeakPolarHBondContact O-CG1 3.49Å; G76-V80 WeakPolarHBondContact O-CG2 3.36Å; G76-V80 PolarHBondContact O-N 3.2Å; G77-V80 WeakPolarHBondContact O-CG2 3.36Å; V80-A84 PolarHBondContact O-N 3.03Å; V80-A84 VanDerWaalsContact O-N 3.1Å; V80-V95 HydrophobicContact CB-CG1 4.27Å; V80-V95 HydrophobicContact CG2-CG1 3.75Å
81R98.5Very high96.3Very high1 Ų126.2 Ų26.20%0.00415%0.15CC..Hα-helixtrans-65.1-47.5168.9173.2-17967101.1-19.4110.5L78 L79 L83 A84 Q85 Q102 I165 N166 L179 F204L78-R81 WeakPolarHBondContact O-CB 3.45Å; L78-R81 PolarHBondContact O-N 2.86Å; L79-R81 VanDerWaalsContact C-N 3.29Å; L79-R81 PolarHBondContact O-N 2.94Å; R81-L83 VanDerWaalsContact C-N 3.29Å; R81-L83 PolarHBondContact O-N 2.97Å; R81-A84 WeakPolarHBondContact O-CB 3.47Å; R81-A84 PolarHBondContact O-N 3.45Å; R81-A84 VanDerWaalsContact O-N 3.08Å; R81-Q85 PolarHBondContact O-N 3.1Å; R81-Q102 VanDerWaalsContact CD-OE1 3.26Å; R81-Q102 PolarHBondContact NH2-O 3.08Å; R81-I165 PolarHBondContact NH1-O 3.46Å; R81-N166 PolarHBondContact NH1-OD1 2.8Å; R81-N166 PolarHBondContact NH2-OD1 3.37Å; R81-L179 HydrophobicContact CG-CD1 4.27Å; R81-F204 VanDerWaalsContact CD-CZ 3.46Å
82A98.4Very high96.3Very high0 Ų024.6 Ų24.60%014%0.142CC..Hα-helixtrans-60.3-40.1179.200000111.8L51 L78 L79 A84 Q85 K86 F161 I165L51-A82 HydrophobicContact CD1-CB 3.63Å; L51-A82 HydrophobicContact CD2-CB 3.97Å; L51-A82 HydrophobicContact CG-CB 4.49Å; L78-A82 PolarHBondContact O-N 2.81Å; L79-A82 WeakPolarHBondContact O-CB 3.42Å; L79-A82 PolarHBondContact O-N 2.8Å; L79-A82 VanDerWaalsContact O-N 3.12Å; A82-A84 PolarHBondContact O-N 2.99Å; A82-Q85 PolarHBondContact O-N 3.47Å; A82-K86 WeakPolarHBondContact O-CB 3.45Å; A82-K86 WeakPolarHBondContact O-CG 3.38Å; A82-K86 PolarHBondContact O-N 2.93Å; A82-F161 HydrophobicContact CB-CE2 3.76Å; A82-F161 HydrophobicContact CB-CZ 3.78Å; A82-I165 HydrophobicContact CB-CD1 4.06Å; A82-I165 HydrophobicContact CB-CG2 4.27Å
83L98.2Very high96.4Very high9 Ų924.6 Ų24.65%0.04714%0.143CC..Hα-helixtrans-58.6-45.5171.6-71.1172000111.8L51 V54 I58 M70 L79 R81 Q85 K86 C87 F89L51-L83 HydrophobicContact CB-CD2 4.35Å; L51-L83 HydrophobicContact CD2-CD2 3.58Å; L51-L83 HydrophobicContact CD2-CG 3.61Å; V54-L83 HydrophobicContact CB-CD2 4.07Å; V54-L83 HydrophobicContact CG1-CD1 3.67Å; V54-L83 HydrophobicContact CG1-CD2 3.84Å; V54-L83 HydrophobicContact CG1-CG 4.44Å; I58-L83 HydrophobicContact CD1-CD1 4.49Å; M70-L83 HydrophobicContact CE-CB 4.36Å; M70-L83 HydrophobicContact SD-CB 4.04Å; M70-L83 HydrophobicContact SD-CD1 4.12Å; L79-L83 WeakPolarHBondContact O-CG 3.43Å; L79-L83 PolarHBondContact O-N 2.88Å; R81-L83 VanDerWaalsContact C-N 3.29Å; R81-L83 PolarHBondContact O-N 2.97Å; L83-Q85 PolarHBondContact O-N 3.21Å; L83-K86 PolarHBondContact O-N 3.42Å; L83-C87 WeakPolarHBondContact CD2-SG 3.47Å; L83-C87 WeakPolarHBondContact O-CB 3.36Å; L83-C87 PolarHBondContact O-N 2.85Å; L83-C87 PolarHBondContact O-SG 2.86Å; L83-C87 VanDerWaalsContact O-SG 3.38Å; L83-F89 HydrophobicContact CB-CE2 4.29Å
84A98.3Very high96.5Very high2 Ų224 Ų242%0.01714%0.14CC..Hα-helixtrans-63.7-27.3178.200000113.2M70 V80 R81 A82 V95 N178 L179 I182M70-A84 HydrophobicContact CE-CB 3.79Å; V80-A84 PolarHBondContact O-N 3.03Å; V80-A84 VanDerWaalsContact O-N 3.1Å; R81-A84 WeakPolarHBondContact O-CB 3.47Å; R81-A84 PolarHBondContact O-N 3.45Å; R81-A84 VanDerWaalsContact O-N 3.08Å; A82-A84 PolarHBondContact O-N 2.99Å; A84-V95 HydrophobicContact CB-CG2 4.13Å; A84-N178 VanDerWaalsContact O-CB 3.24Å; A84-N178 WeakPolarHBondContact O-CB 3.49Å; A84-L179 HydrophobicContact CB-CD1 4.38Å; A84-I182 HydrophobicContact CB-CG2 4.15Å
85Q98.4Very high96.7Very high0 Ų023.4 Ų23.40%014%0.135CC..Hα-helixtrans-83.9-48.3175.8-74.3173.5-137.400112.4R81 A82 L83 I165 Y175 N178 L179R81-Q85 PolarHBondContact O-N 3.1Å; A82-Q85 PolarHBondContact O-N 3.47Å; L83-Q85 PolarHBondContact O-N 3.21Å; Q85-I165 PolarHBondContact NE2-O 3.05Å; Q85-Y175 HydrophobicContact CB-CD1 4.36Å; Q85-Y175 HydrophobicContact CB-CG 4.11Å; Q85-Y175 WeakPolarHBondContact O-CD1 3.25Å; Q85-N178 PolarHBondContact O-ND2 2.76Å; Q85-L179 HydrophobicContact CG-CB 4.12Å; Q85-L179 HydrophobicContact CG-CD1 4.2Å; Q85-L179 HydrophobicContact CG-CD2 4.49Å
86K97.8Very high97Very high50 Ų5022.8 Ų22.822%0.21713%0.133CC..Hα-helixtrans-86.4-38-166.7-64.7-168.5125169.20113.6N48 L51 A82 L83 D164 I165 Y175N48-K86 PolarHBondContact OD1-NZ 3.45Å; L51-K86 HydrophobicContact CD1-CD 3.9Å; A82-K86 WeakPolarHBondContact O-CB 3.45Å; A82-K86 WeakPolarHBondContact O-CG 3.38Å; A82-K86 PolarHBondContact O-N 2.93Å; L83-K86 PolarHBondContact O-N 3.42Å; K86-D164 VanDerWaalsContact CE-OD2 3.26Å; K86-D164 WeakPolarHBondContact CE-OD2 3.39Å; K86-D164 IonicContact NZ-OD2 3.86Å; K86-D164 PolarHBondContact NZ-OD2 3.3Å; K86-I165 HydrophobicContact CD-CG2 4.26Å; K86-Y175 HydrophobicContact CB-CE1 4.35Å; K86-Y175 WeakPolarHBondContact CE-OH 3.49Å; K86-Y175 HydrophobicContact CG-CD1 4.47Å; K86-Y175 HydrophobicContact CG-CE1 3.85Å; K86-Y175 HydrophobicContact CG-CE2 4.35Å
87C96.9Very high97.2Very high6 Ų622 Ų224%0.04113%0.125CC..SBendtrans-85.1137.7-178.3-40.80000110.4C55 L83 F89C55-C87 HydrophobicContact CB-CB 3.93Å; C55-C87 WeakPolarHBondContact CB-SG 3.27Å; C55-C87 WeakPolarHBondContact SG-CB 3.21Å; C55-C87 CovalentContact SG-SG 2.03Å; C55-C87 PolarHBondContact SG-SG 3.35Å; L83-C87 WeakPolarHBondContact CD2-SG 3.47Å; L83-C87 WeakPolarHBondContact O-CB 3.36Å; L83-C87 PolarHBondContact O-N 2.85Å; L83-C87 PolarHBondContact O-SG 2.86Å; L83-C87 VanDerWaalsContact O-SG 3.38Å; C87-F89 HydrophobicContact CB-CD1 4.03Å; C87-F89 HydrophobicContact CB-CD2 3.72Å; C87-F89 HydrophobicContact CB-CE1 3.62Å; C87-F89 HydrophobicContact CB-CE2 3.32Å; C87-F89 HydrophobicContact CB-CG 4.08Å; C87-F89 HydrophobicContact CB-CZ 3.26Å; C87-F89 PolarHBondContact O-N 2.98Å; C87-F89 VanDerWaalsContact SG-CE2 3.56Å; C87-F89 WeakPolarHBondContact SG-CZ 3.44Å
88N93.7Very high97.3Very high124 Ų12422 Ų2266%0.66313%0.125SC*.  trans-83.164.3177.7-170.226.6000111.6H59H59-N88 PolarHBondContact CE1-O 2.96Å
89F95.8Very high97.2Very high23 Ų2322 Ų2210%0.10113%0.125CC..  trans-75.1140.5177-59.9-47.2000111.4I58 H59 F68 L83 C87 V92I58-F89 HydrophobicContact CB-CE1 3.82Å; I58-F89 HydrophobicContact CB-CZ 3.98Å; I58-F89 HydrophobicContact CD1-CE1 4.49Å; I58-F89 HydrophobicContact CD1-CE2 4.43Å; I58-F89 HydrophobicContact CD1-CZ 3.78Å; I58-F89 HydrophobicContact CG1-CZ 4.49Å; I58-F89 HydrophobicContact CG2-CD1 4.05Å; I58-F89 HydrophobicContact CG2-CE1 3.42Å; I58-F89 VanDerWaalsContact CG2-CE1 3.42Å; I58-F89 HydrophobicContact CG2-CZ 3.78Å; H59-F89 AromaticContact CE1-CD1 3.81Å; H59-F89 AromaticContact NE2-CD1 3.89Å; H59-F89 AromaticContact NE2-CE1 3.87Å; F68-F89 HydrophobicContact CE1-CB 4.29Å; F68-F89 HydrophobicContact CE1-CD1 4.2Å; F68-F89 HydrophobicContact CE1-CD2 4.4Å; F68-F89 HydrophobicContact CE1-CG 4.06Å; F68-F89 HydrophobicContact CE2-CD2 4.36Å; F68-F89 HydrophobicContact CE2-CE2 4.35Å; F68-F89 HydrophobicContact CZ-CB 4.19Å; F68-F89 AromaticContact CZ-CD1 3.96Å; F68-F89 HydrophobicContact CZ-CD1 3.96Å; F68-F89 AromaticContact CZ-CD2 3.54Å; F68-F89 HydrophobicContact CZ-CD2 3.54Å; F68-F89 HydrophobicContact CZ-CE1 4.18Å; F68-F89 AromaticContact CZ-CE2 3.73Å; F68-F89 HydrophobicContact CZ-CE2 3.73Å; F68-F89 AromaticContact CZ-CG 3.63Å; F68-F89 HydrophobicContact CZ-CG 3.63Å; F68-F89 HydrophobicContact CZ-CZ 4.06Å; L83-F89 HydrophobicContact CB-CE2 4.29Å; C87-F89 HydrophobicContact CB-CD1 4.03Å; C87-F89 HydrophobicContact CB-CD2 3.72Å; C87-F89 HydrophobicContact CB-CE1 3.62Å; C87-F89 HydrophobicContact CB-CE2 3.32Å; C87-F89 HydrophobicContact CB-CG 4.08Å; C87-F89 HydrophobicContact CB-CZ 3.26Å; C87-F89 PolarHBondContact O-N 2.98Å; C87-F89 VanDerWaalsContact SG-CE2 3.56Å; C87-F89 WeakPolarHBondContact SG-CZ 3.44Å; F89-V92 HydrophobicContact CB-CG2 3.64Å; F89-V92 HydrophobicContact CD2-CG2 3.83Å; F89-V92 HydrophobicContact CG-CG2 4.2Å
90S90.1Very high97.3Very high103 Ų10320.7 Ų20.772%0.7212%0.118SC*.SBendtrans-66.6-39.8-179.450.60000113S65S65-S90 PolarHBondContact O-OG 3.48Å
91N95.5Very high97.2Very high84 Ų8420.4 Ų20.445%0.44912%0.116SC..  trans-149.7102.9-175.2-177.712.4000111N66 G67 F68N66-N91 PolarHBondContact O-ND2 3.08Å; G67-N91 WeakPolarHBondContact CA-O 3.44Å; F68-N91 PolarHBondContact N-O 3.23Å
92V97.9Very high97.2Very high14 Ų1420.4 Ų20.49%0.08512%0.116CC..EExtended strand (participates in β ladder)trans-101.5118.6172-178.10000108.1F68 M70 F89 V95 I182 R183F68-V92 HydrophobicContact CZ-CG2 4.39Å; M70-V92 HydrophobicContact CE-CG1 3.71Å; F89-V92 HydrophobicContact CB-CG2 3.64Å; F89-V92 HydrophobicContact CD2-CG2 3.83Å; F89-V92 HydrophobicContact CG-CG2 4.2Å; V92-V95 HydrophobicContact CG1-CG2 3.69Å; V92-I182 HydrophobicContact CB-CG2 4.01Å; V92-I182 HydrophobicContact CG1-CB 4.3Å; V92-I182 HydrophobicContact CG1-CG2 3.85Å; V92-I182 VanDerWaalsContact O-CA 3.32Å; V92-I182 WeakPolarHBondContact O-CA 3.31Å; V92-R183 PolarHBondContact O-N 3.43Å; V92-R183 VanDerWaalsContact O-N 3.13Å
93G98Very high97.3Very high4 Ų421 Ų214%0.04112%0.118CC..EExtended strand (participates in β ladder)trans-78.6-124.3176.100000111.8F68 H69 R183F68-G93 PolarHBondContact O-N 3.03Å; H69-G93 WeakPolarHBondContact ND1-CA 3.22Å; G93-R183 PolarHBondContact O-N 2.93Å
94T98.5Very high97.2Very high0 Ų020.5 Ų20.50%012%0.116CC..EExtended strand (participates in β ladder)trans-75.6130177-54.80000110.8H69 M70 V96 R184 V186 F265 L266H69-T94 WeakPolarHBondContact CA-O 3.36Å; H69-T94 PolarHBondContact ND1-N 3.23Å; M70-T94 PolarHBondContact N-O 2.76Å; T94-V96 HydrophobicContact CG2-CG2 3.62Å; T94-R184 WeakPolarHBondContact CA-O 3.42Å; T94-R184 HydrophobicContact CG2-CB 4.08Å; T94-V186 HydrophobicContact CG2-CG2 3.79Å; T94-F265 HydrophobicContact CG2-CB 3.9Å; T94-F265 PolarHBondContact OG1-O 2.76Å; T94-L266 HydrophobicContact CG2-CD2 3.91Å
95V98.7Very high97.1Very high0 Ų021.1 Ų21.10%012%0.119CC..EExtended strand (participates in β ladder)trans-102.9117.9165.6-177.30000108.2M70 V80 A84 V92 I182 R184 L185 V186M70-V95 HydrophobicContact CE-CG2 4.02Å; V80-V95 HydrophobicContact CB-CG1 4.27Å; V80-V95 HydrophobicContact CG2-CG1 3.75Å; A84-V95 HydrophobicContact CB-CG2 4.13Å; V92-V95 HydrophobicContact CG1-CG2 3.69Å; V95-I182 HydrophobicContact CB-CD1 4.46Å; V95-I182 HydrophobicContact CG2-CB 4.45Å; V95-I182 HydrophobicContact CG2-CD1 4.18Å; V95-I182 HydrophobicContact CG2-CG2 4.24Å; V95-R184 PolarHBondContact N-O 3.21Å; V95-L185 HydrophobicContact CB-CD1 4.09Å; V95-L185 HydrophobicContact CG1-CD1 4.09Å; V95-V186 PolarHBondContact O-N 3.42Å
96V98.7Very high96.9Very high0 Ų021.7 Ų21.70%012%0.121CC..EExtended strand (participates in β ladder)trans-109.7126.8179.3-173.50000109.4M70 I71 G72 T94 I98 V186 I261 L266M70-V96 PolarHBondContact O-N 3.31Å; I71-V96 WeakPolarHBondContact CA-O 3.45Å; I71-V96 HydrophobicContact CB-CB 4.44Å; I71-V96 HydrophobicContact CG1-CB 4.18Å; I71-V96 HydrophobicContact CG1-CG2 4.3Å; I71-V96 HydrophobicContact CG2-CB 4.28Å; I71-V96 HydrophobicContact CG2-CG1 4.42Å; G72-V96 PolarHBondContact N-O 3.42Å; T94-V96 HydrophobicContact CG2-CG2 3.62Å; V96-I98 HydrophobicContact CG1-CD1 4.27Å; V96-I98 HydrophobicContact CG1-CG1 3.86Å; V96-V186 CarbonylContact C-O 3.56Å; V96-V186 WeakPolarHBondContact CA-O 3.23Å; V96-V186 HydrophobicContact CB-CB 4.46Å; V96-V186 HydrophobicContact CG1-CB 4.28Å; V96-V186 HydrophobicContact CG1-CG1 4.29Å; V96-V186 HydrophobicContact CG2-CB 4.21Å; V96-V186 HydrophobicContact CG2-CG2 4.49Å; V96-I261 HydrophobicContact CG1-CD1 4.38Å; V96-I261 HydrophobicContact CG1-CG2 3.76Å; V96-I261 HydrophobicContact CG2-CG2 4.13Å; V96-L266 HydrophobicContact CG2-CD2 4.29Å
97S98.6Very high96.4Very high0 Ų019.4 Ų19.40%011%0.112CC..EExtended strand (participates in β ladder)trans-117.3112.7174.1160.70000109.3G100 Q102 V186 V188S97-G100 WeakPolarHBondContact OG-CA 3.41Å; S97-G100 PolarHBondContact OG-N 2.81Å; S97-Q102 PolarHBondContact OG-NE2 3.48Å; S97-V186 PolarHBondContact N-O 3.43Å; S97-V188 PolarHBondContact O-N 3.49Å
98I97.9Very high95.7Very high0 Ų021.3 Ų21.30%012%0.121CC..EExtended strand (participates in β ladder)trans-104106.8-179.8-53.5-179.4000109.7I71 G72 I73 S74 V96 G100 V188 F190 L250 F252 F257 I261I71-I98 HydrophobicContact CG2-CD1 4.16Å; G72-I98 PolarHBondContact O-N 3.17Å; I73-I98 HydrophobicContact CG1-CB 4.33Å; I73-I98 HydrophobicContact CG1-CD1 4.43Å; S74-I98 PolarHBondContact N-O 3.1Å; V96-I98 HydrophobicContact CG1-CD1 4.27Å; V96-I98 HydrophobicContact CG1-CG1 3.86Å; I98-G100 PolarHBondContact O-N 3.26Å; I98-V188 HydrophobicContact CG1-CG2 4.16Å; I98-V188 HydrophobicContact CG2-CB 4.33Å; I98-F190 HydrophobicContact CG2-CE2 3.99Å; I98-F190 HydrophobicContact CG2-CZ 3.83Å; I98-L250 HydrophobicContact CG2-CD2 4.02Å; I98-L250 WeakPolarHBondContact O-CD2 3.43Å; I98-F252 HydrophobicContact CG2-CD1 4.21Å; I98-F252 HydrophobicContact CG2-CE1 3.74Å; I98-F252 HydrophobicContact CG2-CZ 4.43Å; I98-F257 HydrophobicContact CD1-CD2 3.85Å; I98-F257 HydrophobicContact CD1-CE2 3.55Å; I98-I261 HydrophobicContact CD1-CG1 4.49Å
99G97.3Very high95.1Very high0 Ų018.5 Ų18.50%011%0.11CC..SBendtrans64.330.2-175.100000112.7S74 V188 H249S74-G99 WeakPolarHBondContact CA-O 3.33Å; G99-V188 PolarHBondContact N-O 3.12Å; G99-H249 PolarHBondContact O-CE1 2.87Å
100G97.6Very high94.2Very high0 Ų022.5 Ų22.50%013%0.127CC..  trans-67.1161.417800000112.7S74 S97 I98 S202S74-G100 WeakPolarHBondContact O-CA 3.45Å; S97-G100 WeakPolarHBondContact OG-CA 3.41Å; S97-G100 PolarHBondContact OG-N 2.81Å; I98-G100 PolarHBondContact O-N 3.26Å; G100-S202 WeakPolarHBondContact O-CA 3.42Å; G100-S202 VanDerWaalsContact O-CB 3.28Å; G100-S202 WeakPolarHBondContact O-CB 3.37Å; G100-S202 PolarHBondContact O-N 3.25Å; G100-S202 PolarHBondContact O-OG 3.07Å
101L97.4Very high93.7Very high8 Ų818.3 Ų18.34%0.04210%0.098CC..  trans-112.467.8178.340.674.8000109.8L78 Q103 G104 I105 Y145 V196 S201L78-L101 HydrophobicContact CB-CD1 3.83Å; L78-L101 HydrophobicContact CD2-CD1 3.27Å; L78-L101 HydrophobicContact CG-CD1 4.13Å; L101-Q103 PolarHBondContact O-N 3.5Å; L101-G104 PolarHBondContact O-N 3.44Å; L101-I105 HydrophobicContact CB-CG2 4.05Å; L101-I105 HydrophobicContact CD2-CG2 3.84Å; L101-Y145 HydrophobicContact CD1-CD1 4.05Å; L101-Y145 HydrophobicContact CD1-CD2 3.8Å; L101-Y145 HydrophobicContact CD1-CE1 4.46Å; L101-Y145 HydrophobicContact CD1-CE2 4.26Å; L101-Y145 HydrophobicContact CD1-CG 3.69Å; L101-Y145 HydrophobicContact CD2-CD2 3.74Å; L101-Y145 HydrophobicContact CD2-CE2 3.51Å; L101-Y145 HydrophobicContact CD2-CG 4.42Å; L101-Y145 HydrophobicContact CG-CD2 4.43Å; L101-V196 HydrophobicContact CB-CG1 4.14Å; L101-S201 VanDerWaalsContact C-OG 3.23Å; L101-S201 WeakPolarHBondContact CA-OG 3.12Å
102Q98.7Very high92.5Very high1 Ų117.6 Ų17.61%0.0059%0.093CC..THydrogen-bonded Turntrans-64.7-27-167.7-56.9-61.1-18.900113.6G77 R81 S97 N166 L187 S201 F204G77-Q102 PolarHBondContact O-NE2 3.17Å; R81-Q102 VanDerWaalsContact CD-OE1 3.26Å; R81-Q102 PolarHBondContact NH2-O 3.08Å; S97-Q102 PolarHBondContact OG-NE2 3.48Å; Q102-N166 PolarHBondContact O-ND2 2.9Å; Q102-L187 HydrophobicContact CG-CD2 4.31Å; Q102-S201 WeakPolarHBondContact CA-O 3.42Å; Q102-S201 VanDerWaalsContact CB-O 3.25Å; Q102-S201 WeakPolarHBondContact CB-O 3.44Å; Q102-S201 PolarHBondContact N-O 3.41Å; Q102-S201 PolarHBondContact N-OG 3.4Å; Q102-F204 HydrophobicContact CB-CD1 3.7Å; Q102-F204 HydrophobicContact CB-CD2 3.75Å; Q102-F204 HydrophobicContact CB-CE1 3.79Å; Q102-F204 HydrophobicContact CB-CE2 3.82Å; Q102-F204 HydrophobicContact CB-CG 3.7Å; Q102-F204 HydrophobicContact CB-CZ 3.86Å; Q102-F204 HydrophobicContact CG-CD2 4.01Å; Q102-F204 HydrophobicContact CG-CE2 3.9Å; Q102-F204 HydrophobicContact CG-CG 4.46Å; Q102-F204 HydrophobicContact CG-CZ 4.27Å
103Q98.5Very high91Very high12 Ų1221.8 Ų21.86%0.05612%0.115CC..THydrogen-bonded Turntrans-10716.9171.9-70.5-73.89.400112.7L101 H147 N166 S201 F204 F206L101-Q103 PolarHBondContact O-N 3.5Å; Q103-H147 PolarHBondContact O-ND1 3.2Å; Q103-N166 PolarHBondContact OE1-ND2 2.95Å; Q103-S201 PolarHBondContact N-OG 3.31Å; Q103-F204 HydrophobicContact CG-CB 4.4Å; Q103-F204 HydrophobicContact CG-CD1 4.26Å; Q103-F204 VanDerWaalsContact CG-O 3.29Å; Q103-F204 WeakPolarHBondContact CG-O 3.43Å; Q103-F204 PolarHBondContact NE2-O 3.33Å; Q103-F206 HydrophobicContact CB-CB 3.78Å; Q103-F206 HydrophobicContact CB-CD2 3.54Å; Q103-F206 HydrophobicContact CB-CE2 4.37Å; Q103-F206 HydrophobicContact CB-CG 3.82Å; Q103-F206 HydrophobicContact CG-CB 4.08Å; Q103-F206 WeakPolarHBondContact O-CD2 3.4Å; Q103-F206 VanDerWaalsContact O-CE2 3.31Å; Q103-F206 WeakPolarHBondContact O-CE2 3.36Å
104G97.3Very high89.4Confident0 Ų027.1 Ų27.10%014%0.143CC..  trans76.7-161.5-176.500000113.7L101 Y145 L162 S201L101-G104 PolarHBondContact O-N 3.44Å; G104-Y145 CarbonylContact C-O 3.6Å; G104-Y145 WeakPolarHBondContact CA-O 3.33Å; G104-L162 VanDerWaalsContact CA-CD2 3.46Å; G104-S201 PolarHBondContact N-OG 3.24Å; G104-S201 VanDerWaalsContact O-CB 3.29Å; G104-S201 WeakPolarHBondContact O-CB 3.45Å; G104-S201 PolarHBondContact O-OG 3.08Å
105I95.5Very high87.6Confident14 Ų1430 Ų307%0.07217%0.173CC..BIsolated β-bridgetrans-133.6153176.960.7173.9000111.2L101 Y145 W146 H147 V196 L197L101-I105 HydrophobicContact CB-CG2 4.05Å; L101-I105 HydrophobicContact CD2-CG2 3.84Å; I105-Y145 HydrophobicContact CD1-CD2 4.37Å; I105-Y145 HydrophobicContact CD1-CE2 3.94Å; I105-Y145 HydrophobicContact CG1-CD2 4.06Å; I105-Y145 HydrophobicContact CG1-CE2 4.14Å; I105-Y145 PolarHBondContact N-O 3.22Å; I105-W146 HydrophobicContact CG1-CE3 4.18Å; I105-H147 PolarHBondContact O-N 3.28Å; I105-V196 HydrophobicContact CG2-CG1 4.3Å; I105-L197 CarbonylContact C-O 3.33Å; I105-L197 WeakPolarHBondContact CA-O 3.16Å
106F93.8Very high86.3Confident12 Ų1237 Ų375%0.05320%0.203CC..  trans-13871.8168.2-173.5-110.2000109.5N124 W146 H147 D148 P149 F150 L197 F206 Y207F106-N124 HydrophobicContact CE2-CB 4.3Å; F106-N124 HydrophobicContact CZ-CB 4.11Å; F106-W146 AromaticContact CD2-CE2 3.78Å; F106-W146 HydrophobicContact CD2-CH2 4.21Å; F106-W146 AromaticContact CD2-CZ2 3.47Å; F106-W146 HydrophobicContact CD2-CZ2 3.47Å; F106-W146 VanDerWaalsContact CD2-CZ2 3.47Å; F106-W146 AromaticContact CD2-NE1 3.97Å; F106-W146 AromaticContact CE2-CZ2 3.69Å; F106-W146 HydrophobicContact CE2-CZ2 3.69Å; F106-W146 HydrophobicContact CG-CZ2 4.45Å; F106-H147 WeakPolarHBondContact CB-O 3.4Å; F106-D148 HydrophobicContact CD2-CB 4.06Å; F106-D148 HydrophobicContact CE2-CB 3.84Å; F106-D148 VanDerWaalsContact CE2-CG 3.47Å; F106-D148 VanDerWaalsContact CE2-OD1 3.25Å; F106-D148 WeakPolarHBondContact CE2-OD1 3.25Å; F106-P149 HydrophobicContact CD1-CG 3.87Å; F106-P149 HydrophobicContact CE1-CG 4.14Å; F106-P149 HydrophobicContact CG-CG 4.14Å; F106-F150 AromaticContact CE1-CD2 3.9Å; F106-F150 HydrophobicContact CE1-CD2 3.9Å; F106-F150 AromaticContact CE1-CE2 3.65Å; F106-F150 HydrophobicContact CE1-CE2 3.65Å; F106-F150 AromaticContact CZ-CD2 3.7Å; F106-F150 HydrophobicContact CZ-CD2 3.7Å; F106-F150 AromaticContact CZ-CE2 3.9Å; F106-F150 HydrophobicContact CZ-CE2 3.9Å; F106-L197 PolarHBondContact N-O 2.98Å; F106-F206 HydrophobicContact CB-CZ 4Å; F106-Y207 HydrophobicContact CB-CD2 4.12Å; F106-Y207 HydrophobicContact CB-CE2 4.07Å; F106-Y207 HydrophobicContact CD1-CD2 4.22Å; F106-Y207 HydrophobicContact CD1-CE2 4.13Å
107G87.4Confident85.3Confident2 Ų241 Ų412%0.02122%0.224CC..SBendtrans171.6138.3-178.200000112.2P109 N124G107-P109 WeakPolarHBondContact O-CD 3.35Å; G107-N124 WeakPolarHBondContact CA-OD1 3.46Å
108I82.8Confident84.3Confident47 Ų4746 Ų4624%0.24126%0.256CS..  trans-72.5124.6170.7-63.7174.7000108.7K110 C111 L123 N124 L127I108-K110 PolarHBondContact O-N 3.31Å; I108-C111 HydrophobicContact CB-CB 3.77Å; I108-C111 HydrophobicContact CG2-CB 3.94Å; I108-C111 VanDerWaalsContact O-CB 3.23Å; I108-C111 WeakPolarHBondContact O-CB 3.19Å; I108-C111 PolarHBondContact O-N 3.48Å; I108-C111 VanDerWaalsContact O-N 3.11Å; I108-L123 HydrophobicContact CD1-CB 3.48Å; I108-L123 VanDerWaalsContact CD1-CB 3.48Å; I108-L123 HydrophobicContact CD1-CD1 3.54Å; I108-L123 HydrophobicContact CD1-CG 4.14Å; I108-N124 PolarHBondContact N-OD1 2.87Å; I108-L127 HydrophobicContact CD1-CD1 3.79Å; I108-L127 HydrophobicContact CG1-CD1 3.77Å
109P80.7Confident83.5Confident65 Ų6552 Ų5242%0.42228%0.28SS..THydrogen-bonded Turntrans-47.8131.6177.9-31.536.9000112.5G107 C111 V195G107-P109 WeakPolarHBondContact O-CD 3.35Å; P109-C111 PolarHBondContact O-N 2.83Å; P109-V195 HydrophobicContact CB-CB 4.46Å; P109-V195 HydrophobicContact CB-CG1 4.17Å; P109-V195 HydrophobicContact CG-CG1 4.24Å
110K78.5Confident82.8Confident106 Ų10652.1 Ų52.146%0.46128%0.281SS..THydrogen-bonded Turntrans60.83.9177.8-57.3-175.9176.2-173.80116.1I108 I112 N113 T194 E248I108-K110 PolarHBondContact O-N 3.31Å; K110-I112 PolarHBondContact O-N 3.2Å; K110-N113 PolarHBondContact O-N 3.38Å; K110-T194 PolarHBondContact N-O 3.13Å; K110-E248 VanDerWaalsContact CE-OE1 3.26Å; K110-E248 WeakPolarHBondContact CE-OE1 3.47Å; K110-E248 IonicContact NZ-OE1 3.79Å
111C79.3Confident82Confident16 Ų1656 Ų5611%0.10830%0.301CS..THydrogen-bonded Turntrans-64.5-47.4-175-166.10000111.9I108 P109 N113 N114 C120I108-C111 HydrophobicContact CB-CB 3.77Å; I108-C111 HydrophobicContact CG2-CB 3.94Å; I108-C111 VanDerWaalsContact O-CB 3.23Å; I108-C111 WeakPolarHBondContact O-CB 3.19Å; I108-C111 PolarHBondContact O-N 3.48Å; I108-C111 VanDerWaalsContact O-N 3.11Å; P109-C111 PolarHBondContact O-N 2.83Å; C111-N113 PolarHBondContact O-N 3Å; C111-N114 PolarHBondContact O-N 2.96Å; C111-N114 VanDerWaalsContact O-N 3.13Å; C111-C120 VanDerWaalsContact CA-SG 3.54Å; C111-C120 HydrophobicContact CB-CB 3.81Å; C111-C120 WeakPolarHBondContact CB-SG 3.18Å; C111-C120 PolarHBondContact O-SG 2.97Å; C111-C120 WeakPolarHBondContact SG-CA 3.49Å; C111-C120 WeakPolarHBondContact SG-CB 3.46Å; C111-C120 CovalentContact SG-SG 2.03Å; C111-C120 PolarHBondContact SG-SG 3.12Å
112I70.5Confident81.3Confident68 Ų6862.6 Ų62.635%0.34933%0.325SS..G310 helixtrans-62.5-33.9-177.9-67.3170.3000111.4K110 N114 G115 I117 C120 L197K110-I112 PolarHBondContact O-N 3.2Å; I112-N114 PolarHBondContact O-N 3.01Å; I112-G115 PolarHBondContact O-N 2.03Å; I112-I117 HydrophobicContact CG2-CD1 4.45Å; I112-I117 HydrophobicContact CG2-CG1 4.18Å; I112-C120 HydrophobicContact CG1-CB 4.38Å; I112-L197 HydrophobicContact CD1-CD1 4.49Å
113N66.4Low80.5Confident103 Ų10364 Ų6455%0.55133%0.333SS*.G310 helixtrans-70.2-20.2180-69-0.5000113.7K110 C111 G115 T194K110-N113 PolarHBondContact O-N 3.38Å; C111-N113 PolarHBondContact O-N 3Å; N113-G115 PolarHBondContact O-N 3.14Å; N113-T194 VanDerWaalsContact ND2-CB 3.28Å; N113-T194 WeakPolarHBondContact ND2-CB 3.35Å; N113-T194 WeakPolarHBondContact ND2-CG2 3.44Å; N113-T194 PolarHBondContact ND2-OG1 3.48Å
114N63.7Low79.8Confident115 Ų11563.8 Ų63.862%0.61533%0.332SS*.G310 helixtrans-836.9180-66.3-13.4000112.7C111 I112 F116C111-N114 PolarHBondContact O-N 2.96Å; C111-N114 VanDerWaalsContact O-N 3.13Å; I112-N114 PolarHBondContact O-N 3.01Å; N114-F116 VanDerWaalsContact C-N 3.33Å; N114-F116 VanDerWaalsContact O-CD2 3.25Å; N114-F116 WeakPolarHBondContact O-CD2 3.38Å; N114-F116 PolarHBondContact O-N 2.79Å
115G59.7Low79Confident62 Ų6270.3 Ų70.364%0.63936%0.36SS*.THydrogen-bonded Turntrans84-4.4172.400000115.7I112 N113 I117I112-G115 PolarHBondContact O-N 2.03Å; N113-G115 PolarHBondContact O-N 3.14Å; G115-I117 PolarHBondContact O-N 2.99Å
116F72.7Confident78.5Confident145 Ų14574.2 Ų74.264%0.63638%0.377SS*.  trans-100.152.8-178.2-68.7-83.5000112.6N114 Y119 C120N114-F116 VanDerWaalsContact C-N 3.33Å; N114-F116 VanDerWaalsContact O-CD2 3.25Å; N114-F116 WeakPolarHBondContact O-CD2 3.38Å; N114-F116 PolarHBondContact O-N 2.79Å; F116-Y119 HydrophobicContact CB-CD1 4.47Å; F116-Y119 WeakPolarHBondContact O-CB 3.44Å; F116-Y119 PolarHBondContact O-N 2.86Å; F116-C120 PolarHBondContact O-N 3.16Å; F116-C120 PolarHBondContact O-SG 3.28Å
117I76.6Confident78.1Confident86 Ų8675.9 Ų75.944%0.44139%0.386SS..Hα-helixtrans-51.6-49-175.1-59.4175.9000112.9I112 G115 Y119 C120 L121I112-I117 HydrophobicContact CG2-CD1 4.45Å; I112-I117 HydrophobicContact CG2-CG1 4.18Å; G115-I117 PolarHBondContact O-N 2.99Å; I117-Y119 VanDerWaalsContact C-N 3.28Å; I117-Y119 PolarHBondContact O-N 3.38Å; I117-C120 PolarHBondContact O-N 3.3Å; I117-L121 HydrophobicContact CG2-CD1 4.01Å; I117-L121 HydrophobicContact CG2-CG 4.29Å; I117-L121 WeakPolarHBondContact O-CG 3.46Å; I117-L121 PolarHBondContact O-N 3.41Å
118P78.8Confident78Confident104 Ų10475.9 Ų75.968%0.67539%0.386SS*.Hα-helixtrans-61-36.8180-23.835.4000113.2W122P118-W122 WeakPolarHBondContact O-CB 3.41Å; P118-W122 PolarHBondContact O-N 2.85Å
119Y80.8Confident78.1Confident127 Ų12778 Ų7850%0.49840%0.398SS..Hα-helixtrans-67.9-41.9176.8175.6-107.8000111.6F116 I117 L121 W122 L123F116-Y119 HydrophobicContact CB-CD1 4.47Å; F116-Y119 WeakPolarHBondContact O-CB 3.44Å; F116-Y119 PolarHBondContact O-N 2.86Å; I117-Y119 VanDerWaalsContact C-N 3.28Å; I117-Y119 PolarHBondContact O-N 3.38Å; Y119-L121 PolarHBondContact O-N 3.08Å; Y119-W122 HydrophobicContact CD2-CE3 4.22Å; Y119-W122 HydrophobicContact CE2-CE3 4.16Å; Y119-W122 HydrophobicContact CE2-CZ3 4.18Å; Y119-W122 PolarHBondContact O-N 2.98Å; Y119-L123 HydrophobicContact CD1-CD1 3.87Å; Y119-L123 HydrophobicContact CD1-CG 4.38Å; Y119-L123 HydrophobicContact CD2-CG 4.49Å; Y119-L123 HydrophobicContact CE1-CD1 3.25Å; Y119-L123 HydrophobicContact CE1-CG 3.99Å; Y119-L123 HydrophobicContact CE2-CD1 4.22Å; Y119-L123 HydrophobicContact CE2-CD2 4.36Å; Y119-L123 HydrophobicContact CE2-CG 4.09Å; Y119-L123 VanDerWaalsContact CZ-CD1 3.46Å; Y119-L123 WeakPolarHBondContact O-CB 3.29Å; Y119-L123 WeakPolarHBondContact O-CG 3.25Å; Y119-L123 PolarHBondContact O-N 3.32Å
120C83.3Confident78.5Confident2 Ų278 Ų781%0.01439%0.393CS..Hα-helixtrans-62.9-42.7176.3-61.20000112.2C111 I112 F116 I117 L123 N124C111-C120 VanDerWaalsContact CA-SG 3.54Å; C111-C120 HydrophobicContact CB-CB 3.81Å; C111-C120 WeakPolarHBondContact CB-SG 3.18Å; C111-C120 PolarHBondContact O-SG 2.97Å; C111-C120 WeakPolarHBondContact SG-CA 3.49Å; C111-C120 WeakPolarHBondContact SG-CB 3.46Å; C111-C120 CovalentContact SG-SG 2.03Å; C111-C120 PolarHBondContact SG-SG 3.12Å; I112-C120 HydrophobicContact CG1-CB 4.38Å; F116-C120 PolarHBondContact O-N 3.16Å; F116-C120 PolarHBondContact O-SG 3.28Å; I117-C120 PolarHBondContact O-N 3.3Å; C120-L123 PolarHBondContact O-N 2.92Å; C120-N124 VanDerWaalsContact O-CG 3.23Å; C120-N124 PolarHBondContact O-N 3.09Å; C120-N124 PolarHBondContact O-OD1 3.24Å
121L79.7Confident79.2Confident82 Ų8273.4 Ų73.443%0.42937%0.374SS..Hα-helixtrans-64.3-41.7175.3-66.9177.4000111.4I117 Y119 N124 K125I117-L121 HydrophobicContact CG2-CD1 4.01Å; I117-L121 HydrophobicContact CG2-CG 4.29Å; I117-L121 WeakPolarHBondContact O-CG 3.46Å; I117-L121 PolarHBondContact O-N 3.41Å; Y119-L121 PolarHBondContact O-N 3.08Å; L121-N124 PolarHBondContact O-N 3.1Å; L121-K125 PolarHBondContact O-N 3.39Å; L121-K125 VanDerWaalsContact O-N 3.09Å
122W82.4Confident79.9Confident145 Ų14573.4 Ų73.455%0.54937%0.372SS..Hα-helixtrans-61.4-44.9174.2177.383.8000112.1P118 Y119 K125 F126P118-W122 WeakPolarHBondContact O-CB 3.41Å; P118-W122 PolarHBondContact O-N 2.85Å; Y119-W122 HydrophobicContact CD2-CE3 4.22Å; Y119-W122 HydrophobicContact CE2-CE3 4.16Å; Y119-W122 HydrophobicContact CE2-CZ3 4.18Å; Y119-W122 PolarHBondContact O-N 2.98Å; W122-K125 WeakPolarHBondContact O-CB 3.29Å; W122-K125 PolarHBondContact O-N 3.29Å; W122-F126 PolarHBondContact O-N 3.19Å
123L83.2Confident81Confident31 Ų3173.2 Ų73.216%0.16237%0.374CS..Hα-helixtrans-63.7-41.5176.3-78.3-179.5000112.5I108 Y119 C120 K125 F126 L127I108-L123 HydrophobicContact CD1-CB 3.48Å; I108-L123 VanDerWaalsContact CD1-CB 3.48Å; I108-L123 HydrophobicContact CD1-CD1 3.54Å; I108-L123 HydrophobicContact CD1-CG 4.14Å; Y119-L123 HydrophobicContact CD1-CD1 3.87Å; Y119-L123 HydrophobicContact CD1-CG 4.38Å; Y119-L123 HydrophobicContact CD2-CG 4.49Å; Y119-L123 HydrophobicContact CE1-CD1 3.25Å; Y119-L123 HydrophobicContact CE1-CG 3.99Å; Y119-L123 HydrophobicContact CE2-CD1 4.22Å; Y119-L123 HydrophobicContact CE2-CD2 4.36Å; Y119-L123 HydrophobicContact CE2-CG 4.09Å; Y119-L123 VanDerWaalsContact CZ-CD1 3.46Å; Y119-L123 WeakPolarHBondContact O-CB 3.29Å; Y119-L123 WeakPolarHBondContact O-CG 3.25Å; Y119-L123 PolarHBondContact O-N 3.32Å; C120-L123 PolarHBondContact O-N 2.92Å; L123-K125 VanDerWaalsContact C-N 3.27Å; L123-K125 PolarHBondContact O-N 3.33Å; L123-F126 PolarHBondContact O-N 3.05Å; L123-L127 WeakPolarHBondContact O-CB 3.37Å; L123-L127 VanDerWaalsContact O-CG 3.29Å; L123-L127 WeakPolarHBondContact O-CG 3.14Å; L123-L127 PolarHBondContact O-N 3.38Å
124N83.6Confident82.2Confident7 Ų775.6 Ų75.64%0.03738%0.382CS..Hα-helixtrans-58.4-43.1175.1-71.4-11.6000110.9F106 G107 I108 C120 L121 S128 W146F106-N124 HydrophobicContact CE2-CB 4.3Å; F106-N124 HydrophobicContact CZ-CB 4.11Å; G107-N124 WeakPolarHBondContact CA-OD1 3.46Å; I108-N124 PolarHBondContact N-OD1 2.87Å; C120-N124 VanDerWaalsContact O-CG 3.23Å; C120-N124 PolarHBondContact O-N 3.09Å; C120-N124 PolarHBondContact O-OD1 3.24Å; L121-N124 PolarHBondContact O-N 3.1Å; N124-S128 WeakPolarHBondContact O-CB 3Å; N124-S128 PolarHBondContact O-N 3.37Å; N124-S128 PolarHBondContact O-OG 3.12Å; N124-W146 HydrophobicContact CB-CH2 4.12Å; N124-W146 HydrophobicContact CB-CZ2 4.14Å
125K80.7Confident83.5Confident137 Ų13777 Ų7760%0.59638%0.38SS*.Hα-helixtrans-63.1-48.7176.3-175.4178.4178.8-179.90111.4L121 W122 L123 L127 S128 D129L121-K125 PolarHBondContact O-N 3.39Å; L121-K125 VanDerWaalsContact O-N 3.09Å; W122-K125 WeakPolarHBondContact O-CB 3.29Å; W122-K125 PolarHBondContact O-N 3.29Å; L123-K125 VanDerWaalsContact C-N 3.27Å; L123-K125 PolarHBondContact O-N 3.33Å; K125-L127 PolarHBondContact O-N 3.13Å; K125-S128 WeakPolarHBondContact O-CB 3.28Å; K125-S128 PolarHBondContact O-N 3.11Å; K125-S128 VanDerWaalsContact O-N 3.1Å; K125-D129 PolarHBondContact O-N 3Å; K125-D129 VanDerWaalsContact O-N 3.13Å
126F83.7Confident85.1Confident97 Ų9775.6 Ų75.643%0.42536%0.357SS..Hα-helixtrans-59.5-44.5177.6176-99.3000112.3W122 L123 S128 D129 I130W122-F126 PolarHBondContact O-N 3.19Å; L123-F126 PolarHBondContact O-N 3.05Å; F126-S128 VanDerWaalsContact C-N 3.29Å; F126-S128 PolarHBondContact O-N 2.93Å; F126-D129 WeakPolarHBondContact O-CB 3.19Å; F126-D129 PolarHBondContact O-N 3.34Å; F126-D129 VanDerWaalsContact O-N 3.17Å; F126-I130 HydrophobicContact CE1-CD1 4.06Å; F126-I130 PolarHBondContact O-N 2.99Å
127L86Confident86.1Confident47 Ų4768.8 Ų68.825%0.24633%0.327CS..Hα-helixtrans-58.3-44.8173.7-73.5176.4000110.6I108 L123 K125 D129 I130 V131 W146I108-L127 HydrophobicContact CD1-CD1 3.79Å; I108-L127 HydrophobicContact CG1-CD1 3.77Å; L123-L127 WeakPolarHBondContact O-CB 3.37Å; L123-L127 VanDerWaalsContact O-CG 3.29Å; L123-L127 WeakPolarHBondContact O-CG 3.14Å; L123-L127 PolarHBondContact O-N 3.38Å; K125-L127 PolarHBondContact O-N 3.13Å; L127-D129 PolarHBondContact O-N 2.68Å; L127-I130 HydrophobicContact CD2-CD1 4.24Å; L127-I130 VanDerWaalsContact O-CG1 3.25Å; L127-I130 WeakPolarHBondContact O-CG1 3.35Å; L127-I130 PolarHBondContact O-N 3.45Å; L127-V131 HydrophobicContact CB-CG1 4.32Å; L127-V131 WeakPolarHBondContact O-CB 3.44Å; L127-V131 WeakPolarHBondContact O-CG1 3.42Å; L127-V131 WeakPolarHBondContact O-CG2 3.48Å; L127-V131 PolarHBondContact O-N 3.17Å; L127-W146 HydrophobicContact CB-CH2 4.48Å; L127-W146 HydrophobicContact CB-CZ2 4.31Å; L127-W146 HydrophobicContact CD1-CH2 4.17Å; L127-W146 HydrophobicContact CD1-CZ3 4.3Å
128S85.6Confident86.8Confident2 Ų266.5 Ų66.51%0.01432%0.319CS..Hα-helixtrans-63-23.2179.3-540000113.8N124 K125 F126 W146 D148N124-S128 WeakPolarHBondContact O-CB 3Å; N124-S128 PolarHBondContact O-N 3.37Å; N124-S128 PolarHBondContact O-OG 3.12Å; K125-S128 WeakPolarHBondContact O-CB 3.28Å; K125-S128 PolarHBondContact O-N 3.11Å; K125-S128 VanDerWaalsContact O-N 3.1Å; F126-S128 VanDerWaalsContact C-N 3.29Å; F126-S128 PolarHBondContact O-N 2.93Å; S128-W146 PolarHBondContact OG-NE1 2.98Å; S128-D148 WeakPolarHBondContact CB-OD2 3.26Å; S128-D148 PolarHBondContact OG-OD2 2.74Å; S128-D148 VanDerWaalsContact OG-OD2 3.13Å
129D84.7Confident87.2Confident90 Ų9066.5 Ų66.548%0.48131%0.306SS..Hα-helixtrans-74.5-28.5173-66.3-32.6000112.7K125 F126 L127 K151K125-D129 PolarHBondContact O-N 3Å; K125-D129 VanDerWaalsContact O-N 3.13Å; F126-D129 WeakPolarHBondContact O-CB 3.19Å; F126-D129 PolarHBondContact O-N 3.34Å; F126-D129 VanDerWaalsContact O-N 3.17Å; L127-D129 PolarHBondContact O-N 2.68Å; D129-K151 IonicContact OD1-NZ 3.15Å; D129-K151 PolarHBondContact OD1-NZ 2.78Å
130I88.5Confident87.7Confident65 Ų6563.6 Ų63.633%0.33330%0.296SS..Hα-helixtrans-105.5-30.1-174.265.3171.5000113.9F126 L127 Y132 T133F126-I130 HydrophobicContact CE1-CD1 4.06Å; F126-I130 PolarHBondContact O-N 2.99Å; L127-I130 HydrophobicContact CD2-CD1 4.24Å; L127-I130 VanDerWaalsContact O-CG1 3.25Å; L127-I130 WeakPolarHBondContact O-CG1 3.35Å; L127-I130 PolarHBondContact O-N 3.45Å; I130-Y132 VanDerWaalsContact C-N 3.27Å; I130-Y132 PolarHBondContact O-N 2.89Å; I130-T133 WeakPolarHBondContact O-CG2 3.4Å; I130-T133 PolarHBondContact O-N 2.89Å; I130-T133 PolarHBondContact O-OG1 3.35Å
131V92.6Very high88Confident10 Ų1063.5 Ų63.56%0.06130%0.295CS..THydrogen-bonded Turntrans-66.3-27.4-172.4-71.80000113.2L127 T133 Q137 A143 W146L127-V131 HydrophobicContact CB-CG1 4.32Å; L127-V131 WeakPolarHBondContact O-CB 3.44Å; L127-V131 WeakPolarHBondContact O-CG1 3.42Å; L127-V131 WeakPolarHBondContact O-CG2 3.48Å; L127-V131 PolarHBondContact O-N 3.17Å; V131-T133 VanDerWaalsContact C-N 3.3Å; V131-Q137 VanDerWaalsContact O-CG 3.29Å; V131-Q137 WeakPolarHBondContact O-CG 3.36Å; V131-Q137 PolarHBondContact O-NE2 2.84Å; V131-A143 HydrophobicContact CB-CB 4.06Å; V131-A143 HydrophobicContact CG1-CB 4.1Å; V131-W146 HydrophobicContact CG2-CB 4.32Å; V131-W146 VanDerWaalsContact CG2-CD1 3.42Å; V131-W146 HydrophobicContact CG2-CG 3.91Å
132Y94.3Very high88.6Confident17 Ų1761.8 Ų61.87%0.06729%0.289CS..THydrogen-bonded Turntrans-88.18179.8-64.7-49000114I130 W146 D148 D154 Y155 Y158I130-Y132 VanDerWaalsContact C-N 3.27Å; I130-Y132 PolarHBondContact O-N 2.89Å; Y132-W146 AromaticContact CZ-CD1 3.87Å; Y132-W146 PolarHBondContact OH-O 3.01Å; Y132-D148 HydrophobicContact CE2-CB 4.11Å; Y132-D148 PolarHBondContact OH-N 2.91Å; Y132-D154 HydrophobicContact CD2-CB 3.9Å; Y132-D154 HydrophobicContact CE2-CB 4.33Å; Y132-D154 HydrophobicContact CG-CB 4.42Å; Y132-Y155 HydrophobicContact CE1-CD2 4.47Å; Y132-Y155 WeakPolarHBondContact OH-CB 3.27Å; Y132-Y158 WeakPolarHBondContact O-CB 3.25Å
133T93.3Very high89.1Confident63 Ų6355.1 Ų55.139%0.38727%0.265SS..SBendtrans-73.4144167.763.90000110.7I130 V131 Y135 I136 Q137I130-T133 WeakPolarHBondContact O-CG2 3.4Å; I130-T133 PolarHBondContact O-N 2.89Å; I130-T133 PolarHBondContact O-OG1 3.35Å; V131-T133 VanDerWaalsContact C-N 3.3Å; T133-Y135 PolarHBondContact O-N 3.18Å; T133-I136 PolarHBondContact O-N 3.04Å; T133-I136 VanDerWaalsContact O-N 3.12Å; T133-I136 WeakPolarHBondContact OG1-CB 3.27Å; T133-I136 WeakPolarHBondContact OG1-CG1 3.47Å; T133-I136 PolarHBondContact OG1-N 2.88Å; T133-Q137 PolarHBondContact O-N 3.41Å
134E92.1Very high89.7Confident154 Ų15453.7 Ų53.772%0.7226%0.257SS*.Hα-helixtrans-57.1-38.8178.9-176.3-179.8-176.300112.2I136 S138E134-I136 VanDerWaalsContact C-N 3.33Å; E134-I136 PolarHBondContact O-N 3.04Å; E134-S138 WeakPolarHBondContact O-CB 3.47Å; E134-S138 PolarHBondContact O-N 2.73Å; E134-S138 PolarHBondContact O-OG 2.9Å
135Y91.7Very high90.3Very high143 Ų14353.6 Ų53.656%0.56126%0.256SS*.Hα-helixtrans-59.9-43.1177.9179.9-92000112.1T133 S138 R139T133-Y135 PolarHBondContact O-N 3.18Å; Y135-S138 PolarHBondContact O-OG 3.35Å; Y135-R139 VanDerWaalsContact CD2-NH1 3.31Å; Y135-R139 VanDerWaalsContact CE2-CZ 3.48Å; Y135-R139 WeakPolarHBondContact O-CD 3.47Å; Y135-R139 PolarHBondContact O-NH1 3.2Å
136I92.8Very high91.1Very high34 Ų3447.6 Ų47.617%0.17423%0.23CC..Hα-helixtrans-77.7-46.2-178.6-62.5-66.2000111.1T133 E134 S138 R139 F140 A143T133-I136 PolarHBondContact O-N 3.04Å; T133-I136 VanDerWaalsContact O-N 3.12Å; T133-I136 WeakPolarHBondContact OG1-CB 3.27Å; T133-I136 WeakPolarHBondContact OG1-CG1 3.47Å; T133-I136 PolarHBondContact OG1-N 2.88Å; E134-I136 VanDerWaalsContact C-N 3.33Å; E134-I136 PolarHBondContact O-N 3.04Å; I136-S138 VanDerWaalsContact C-N 3.29Å; I136-S138 PolarHBondContact O-N 2.82Å; I136-R139 PolarHBondContact O-N 3.19Å; I136-F140 HydrophobicContact CB-CD2 4.42Å; I136-F140 HydrophobicContact CD1-CD2 3.79Å; I136-F140 HydrophobicContact CD1-CE2 3.67Å; I136-F140 HydrophobicContact CG2-CB 4.23Å; I136-F140 HydrophobicContact CG2-CD2 4Å; I136-F140 HydrophobicContact CG2-CG 4.42Å; I136-F140 PolarHBondContact O-N 3.06Å; I136-A143 HydrophobicContact CG2-CB 3.62Å
137Q94.1Very high91.8Very high1 Ų143.3 Ų43.31%0.00521%0.211CC..Hα-helixtrans-56.9-40.6177.7-77.6-67.2-51.400112.7V131 T133 R139 A143 Q144 Y158 Q160V131-Q137 VanDerWaalsContact O-CG 3.29Å; V131-Q137 WeakPolarHBondContact O-CG 3.36Å; V131-Q137 PolarHBondContact O-NE2 2.84Å; T133-Q137 PolarHBondContact O-N 3.41Å; Q137-R139 VanDerWaalsContact C-N 3.27Å; Q137-R139 PolarHBondContact O-N 2.86Å; Q137-A143 VanDerWaalsContact NE2-C 3.31Å; Q137-A143 PolarHBondContact NE2-O 3.32Å; Q137-Q144 WeakPolarHBondContact O-CG 3.26Å; Q137-Q144 PolarHBondContact O-NE2 3.35Å; Q137-Q144 VanDerWaalsContact O-NE2 3.13Å; Q137-Y158 WeakPolarHBondContact CG-O 3.41Å; Q137-Q160 HydrophobicContact CB-CB 4.29Å; Q137-Q160 VanDerWaalsContact CB-CD 3.47Å; Q137-Q160 HydrophobicContact CB-CG 3.74Å; Q137-Q160 HydrophobicContact CG-CG 4.32Å
138S90.1Very high92.3Very high38 Ų3841.3 Ų41.327%0.26620%0.201SC..THydrogen-bonded Turntrans-75.1-12.5-177.454.50000114.6E134 Y135 I136 Q160E134-S138 WeakPolarHBondContact O-CB 3.47Å; E134-S138 PolarHBondContact O-N 2.73Å; E134-S138 PolarHBondContact O-OG 2.9Å; Y135-S138 PolarHBondContact O-OG 3.35Å; I136-S138 VanDerWaalsContact C-N 3.29Å; I136-S138 PolarHBondContact O-N 2.82Å; S138-Q160 VanDerWaalsContact CA-OE1 3.3Å
139R87.3Confident92.8Very high104 Ų10441.2 Ų41.239%0.39220%0.2SC..THydrogen-bonded Turntrans-119.2-42.4-173.5-70.5172179.771.63.8112.8F44 Y135 I136 Q137F44-R139 CarbonylContact C-O 3.57Å; F44-R139 WeakPolarHBondContact CA-O 3.29Å; Y135-R139 VanDerWaalsContact CD2-NH1 3.31Å; Y135-R139 VanDerWaalsContact CE2-CZ 3.48Å; Y135-R139 WeakPolarHBondContact O-CD 3.47Å; Y135-R139 PolarHBondContact O-NH1 3.2Å; I136-R139 PolarHBondContact O-N 3.19Å; Q137-R139 VanDerWaalsContact C-N 3.27Å; Q137-R139 PolarHBondContact O-N 2.86Å
140F91.2Very high93.3Very high66 Ų6642.1 Ų42.129%0.28920%0.2SC..  trans-97.8115.6-169.6-67.5-89.8000111V43 F44 I136 A143 Q144V43-F140 WeakPolarHBondContact O-CA 3.48Å; F44-F140 HydrophobicContact CD1-CD1 4.3Å; F44-F140 AromaticContact CD1-CE1 3.92Å; F44-F140 HydrophobicContact CD1-CE1 3.92Å; F44-F140 HydrophobicContact CD1-CZ 4.39Å; F44-F140 HydrophobicContact CE1-CD1 4.17Å; F44-F140 AromaticContact CE1-CE1 3.48Å; F44-F140 HydrophobicContact CE1-CE1 3.48Å; F44-F140 VanDerWaalsContact CE1-CE1 3.48Å; F44-F140 HydrophobicContact CE1-CZ 4.08Å; I136-F140 HydrophobicContact CB-CD2 4.42Å; I136-F140 HydrophobicContact CD1-CD2 3.79Å; I136-F140 HydrophobicContact CD1-CE2 3.67Å; I136-F140 HydrophobicContact CG2-CB 4.23Å; I136-F140 HydrophobicContact CG2-CD2 4Å; I136-F140 HydrophobicContact CG2-CG 4.42Å; I136-F140 PolarHBondContact O-N 3.06Å; F140-A143 HydrophobicContact CB-CB 4.1Å; F140-A143 WeakPolarHBondContact O-CB 3.45Å; F140-A143 PolarHBondContact O-N 3.26Å; F140-Q144 PolarHBondContact O-N 3.34Å; F140-Q144 PolarHBondContact O-NE2 3.3Å
141V91.3Very high93.6Very high0 Ų041.7 Ų41.70%020%0.196CC..Hα-helixtrans-56.8-46.2179.81670000112.2T42 V43 R45 I47 A143 Q144 Y145T42-V141 VanDerWaalsContact O-CB 3.29Å; T42-V141 WeakPolarHBondContact O-CB 3.48Å; T42-V141 WeakPolarHBondContact O-CG1 3.45Å; T42-V141 WeakPolarHBondContact O-CG2 3.32Å; V43-V141 PolarHBondContact O-N 3.44Å; R45-V141 WeakPolarHBondContact O-CG2 3.37Å; I47-V141 HydrophobicContact CD1-CG1 4.02Å; I47-V141 HydrophobicContact CG1-CB 4.45Å; I47-V141 HydrophobicContact CG1-CG1 4.03Å; I47-V141 HydrophobicContact CG1-CG2 4.17Å; V141-A143 VanDerWaalsContact C-N 3.27Å; V141-A143 PolarHBondContact O-N 3.24Å; V141-Q144 WeakPolarHBondContact O-CB 3.41Å; V141-Q144 PolarHBondContact O-N 2.99Å; V141-Q144 VanDerWaalsContact O-N 3.13Å; V141-Y145 HydrophobicContact CG1-CE1 3.71Å; V141-Y145 WeakPolarHBondContact O-CD1 3.47Å; V141-Y145 VanDerWaalsContact O-CE1 3.27Å; V141-Y145 WeakPolarHBondContact O-CE1 3.39Å
142P91Very high93.8Very high47 Ų4742 Ų4231%0.30520%0.196SC..Hα-helixtrans-62.5-30.2177.7-24.435.6000115.1M1 Q144 Y145 W146M1-P142 HydrophobicContact CE-CG 4.41Å; P142-Q144 VanDerWaalsContact C-N 3.29Å; P142-Q144 PolarHBondContact O-N 3.45Å; P142-Y145 VanDerWaalsContact CA-CZ 3.44Å; P142-Y145 HydrophobicContact CB-CE2 4.22Å; P142-Y145 PolarHBondContact O-N 3.37Å; P142-W146 PolarHBondContact O-N 3.03Å
143A93.6Very high93.9Very high5 Ų547.1 Ų47.14%0.04123%0.225CC..Hα-helixtrans-67.2-33.7177.200000111.6V131 I136 Q137 F140 V141 Y145 W146V131-A143 HydrophobicContact CB-CB 4.06Å; V131-A143 HydrophobicContact CG1-CB 4.1Å; I136-A143 HydrophobicContact CG2-CB 3.62Å; Q137-A143 VanDerWaalsContact NE2-C 3.31Å; Q137-A143 PolarHBondContact NE2-O 3.32Å; F140-A143 HydrophobicContact CB-CB 4.1Å; F140-A143 WeakPolarHBondContact O-CB 3.45Å; F140-A143 PolarHBondContact O-N 3.26Å; V141-A143 VanDerWaalsContact C-N 3.27Å; V141-A143 PolarHBondContact O-N 3.24Å; A143-Y145 PolarHBondContact O-N 3.48Å; A143-W146 WeakPolarHBondContact O-CB 2.94Å; A143-W146 PolarHBondContact O-N 3.31Å; A143-W146 VanDerWaalsContact O-N 3.12Å
144Q96.2Very high94Very high0 Ų047 Ų470%022%0.222CC..Hα-helixtrans-69.6-15-177.1-77.5171.37500114.3I47 Q137 F140 V141 P142 S159 F161 L162I47-Q144 HydrophobicContact CD1-CB 3.67Å; I47-Q144 HydrophobicContact CG1-CB 4.31Å; Q137-Q144 WeakPolarHBondContact O-CG 3.26Å; Q137-Q144 PolarHBondContact O-NE2 3.35Å; Q137-Q144 VanDerWaalsContact O-NE2 3.13Å; F140-Q144 PolarHBondContact O-N 3.34Å; F140-Q144 PolarHBondContact O-NE2 3.3Å; V141-Q144 WeakPolarHBondContact O-CB 3.41Å; V141-Q144 PolarHBondContact O-N 2.99Å; V141-Q144 VanDerWaalsContact O-N 3.13Å; P142-Q144 VanDerWaalsContact C-N 3.29Å; P142-Q144 PolarHBondContact O-N 3.45Å; Q144-S159 PolarHBondContact O-OG 3.39Å; Q144-F161 HydrophobicContact CB-CB 3.89Å; Q144-F161 HydrophobicContact CB-CD1 4.47Å; Q144-F161 HydrophobicContact CG-CB 4.42Å; Q144-L162 WeakPolarHBondContact O-CB 3.44Å; Q144-L162 PolarHBondContact O-N 3.48Å; Q144-L162 VanDerWaalsContact O-N 3.12Å
145Y96.2Very high94.3Very high5 Ų539.7 Ų39.72%0.0219%0.188CC..THydrogen-bonded Turntrans-122.919.9169.856-109.1000113.3M1 I47 L78 L101 G104 I105 V141 P142 A143M1-Y145 WeakPolarHBondContact CE-OH 3.48Å; I47-Y145 HydrophobicContact CD1-CD1 3.85Å; I47-Y145 HydrophobicContact CD1-CE1 4.31Å; L78-Y145 HydrophobicContact CD2-CD1 4.39Å; L78-Y145 HydrophobicContact CD2-CG 4.39Å; L101-Y145 HydrophobicContact CD1-CD1 4.05Å; L101-Y145 HydrophobicContact CD1-CD2 3.8Å; L101-Y145 HydrophobicContact CD1-CE1 4.46Å; L101-Y145 HydrophobicContact CD1-CE2 4.26Å; L101-Y145 HydrophobicContact CD1-CG 3.69Å; L101-Y145 HydrophobicContact CD2-CD2 3.74Å; L101-Y145 HydrophobicContact CD2-CE2 3.51Å; L101-Y145 HydrophobicContact CD2-CG 4.42Å; L101-Y145 HydrophobicContact CG-CD2 4.43Å; G104-Y145 CarbonylContact C-O 3.6Å; G104-Y145 WeakPolarHBondContact CA-O 3.33Å; I105-Y145 HydrophobicContact CD1-CD2 4.37Å; I105-Y145 HydrophobicContact CD1-CE2 3.94Å; I105-Y145 HydrophobicContact CG1-CD2 4.06Å; I105-Y145 HydrophobicContact CG1-CE2 4.14Å; I105-Y145 PolarHBondContact N-O 3.22Å; V141-Y145 HydrophobicContact CG1-CE1 3.71Å; V141-Y145 WeakPolarHBondContact O-CD1 3.47Å; V141-Y145 VanDerWaalsContact O-CE1 3.27Å; V141-Y145 WeakPolarHBondContact O-CE1 3.39Å; P142-Y145 VanDerWaalsContact CA-CZ 3.44Å; P142-Y145 HydrophobicContact CB-CE2 4.22Å; P142-Y145 PolarHBondContact O-N 3.37Å; A143-Y145 PolarHBondContact O-N 3.48Å
146W96.7Very high94.5Very high12 Ų1236.6 Ų36.65%0.04518%0.175CC..BIsolated β-bridgetrans-74.7125.7167.6-174.4-93.2000110I105 F106 N124 L127 S128 V131 Y132 P142 A143I105-W146 HydrophobicContact CG1-CE3 4.18Å; F106-W146 AromaticContact CD2-CE2 3.78Å; F106-W146 HydrophobicContact CD2-CH2 4.21Å; F106-W146 AromaticContact CD2-CZ2 3.47Å; F106-W146 HydrophobicContact CD2-CZ2 3.47Å; F106-W146 VanDerWaalsContact CD2-CZ2 3.47Å; F106-W146 AromaticContact CD2-NE1 3.97Å; F106-W146 AromaticContact CE2-CZ2 3.69Å; F106-W146 HydrophobicContact CE2-CZ2 3.69Å; F106-W146 HydrophobicContact CG-CZ2 4.45Å; N124-W146 HydrophobicContact CB-CH2 4.12Å; N124-W146 HydrophobicContact CB-CZ2 4.14Å; L127-W146 HydrophobicContact CB-CH2 4.48Å; L127-W146 HydrophobicContact CB-CZ2 4.31Å; L127-W146 HydrophobicContact CD1-CH2 4.17Å; L127-W146 HydrophobicContact CD1-CZ3 4.3Å; S128-W146 PolarHBondContact OG-NE1 2.98Å; V131-W146 HydrophobicContact CG2-CB 4.32Å; V131-W146 VanDerWaalsContact CG2-CD1 3.42Å; V131-W146 HydrophobicContact CG2-CG 3.91Å; Y132-W146 AromaticContact CZ-CD1 3.87Å; Y132-W146 PolarHBondContact OH-O 3.01Å; P142-W146 PolarHBondContact O-N 3.03Å; A143-W146 WeakPolarHBondContact O-CB 2.94Å; A143-W146 PolarHBondContact O-N 3.31Å; A143-W146 VanDerWaalsContact O-N 3.12Å
147H97.4Very high94.7Very high6 Ų641.9 Ų41.93%0.02820%0.197CC..  trans-12892.5-174.3-176.2177.3000109Q103 I105 F106 P149 E152 Y155 L162 F206Q103-H147 PolarHBondContact O-ND1 3.2Å; I105-H147 PolarHBondContact O-N 3.28Å; F106-H147 WeakPolarHBondContact CB-O 3.4Å; H147-P149 VanDerWaalsContact O-CD 3.24Å; H147-P149 WeakPolarHBondContact O-CD 3.36Å; H147-E152 IonicContact CD2-OE1 3.45Å; H147-E152 IonicContact NE2-OE1 2.88Å; H147-E152 PolarHBondContact NE2-OE1 3.03Å; H147-E152 IonicContact NE2-OE2 3.53Å; H147-Y155 HydrophobicContact CB-CD2 4.32Å; H147-Y155 HydrophobicContact CB-CE2 4.21Å; H147-Y155 AromaticContact CD2-CD1 3.38Å; H147-Y155 WeakPolarHBondContact CD2-CD1 3.1Å; H147-Y155 AromaticContact CD2-CD2 3.97Å; H147-Y155 AromaticContact CD2-CE1 3.49Å; H147-Y155 VanDerWaalsContact CD2-CE1 3.49Å; H147-Y155 WeakPolarHBondContact CD2-CE1 3.24Å; H147-Y155 AromaticContact CD2-CG 3.64Å; H147-Y155 AromaticContact CD2-CZ 3.84Å; H147-Y155 AromaticContact CE1-CE1 3.67Å; H147-Y155 AromaticContact CE1-CZ 3.94Å; H147-Y155 AromaticContact CG-CZ 3.91Å; H147-Y155 AromaticContact ND1-CZ 3.99Å; H147-Y155 AromaticContact NE2-CD1 3.43Å; H147-Y155 WeakPolarHBondContact NE2-CD1 3.25Å; H147-Y155 AromaticContact NE2-CE1 3.24Å; H147-Y155 WeakPolarHBondContact NE2-CE1 3.41Å; H147-Y155 AromaticContact NE2-CZ 3.86Å; H147-L162 HydrophobicContact CB-CD2 4Å; H147-F206 HydrophobicContact CB-CE1 3.83Å; H147-F206 HydrophobicContact CB-CE2 4.35Å; H147-F206 HydrophobicContact CB-CZ 3.58Å; H147-F206 AromaticContact CD2-CE1 3.69Å; H147-F206 AromaticContact CE1-CD1 3.51Å; H147-F206 AromaticContact CE1-CE1 3.69Å; H147-F206 AromaticContact CG-CD1 3.97Å; H147-F206 AromaticContact CG-CE1 3.33Å; H147-F206 AromaticContact CG-CZ 3.61Å; H147-F206 AromaticContact ND1-CD1 3.48Å; H147-F206 WeakPolarHBondContact ND1-CD1 3.05Å; H147-F206 AromaticContact ND1-CE1 3.32Å; H147-F206 VanDerWaalsContact ND1-CE1 3.32Å; H147-F206 WeakPolarHBondContact ND1-CE1 3.26Å; H147-F206 AromaticContact ND1-CG 3.99Å; H147-F206 AromaticContact ND1-CZ 3.69Å; H147-F206 AromaticContact NE2-CD1 3.99Å; H147-F206 AromaticContact NE2-CE1 3.9Å; H147-F206 WeakPolarHBondContact O-CE1 3.45Å; H147-F206 VanDerWaalsContact O-CZ 3.24Å; H147-F206 WeakPolarHBondContact O-CZ 3.32Å
148D96.4Very high94.9Very high5 Ų546.4 Ų46.43%0.02722%0.215CC..  trans-80.7109.5179.8-176.8-5000111.3F106 S128 Y132 F150 K151 E152F106-D148 HydrophobicContact CD2-CB 4.06Å; F106-D148 HydrophobicContact CE2-CB 3.84Å; F106-D148 VanDerWaalsContact CE2-CG 3.47Å; F106-D148 VanDerWaalsContact CE2-OD1 3.25Å; F106-D148 WeakPolarHBondContact CE2-OD1 3.25Å; S128-D148 WeakPolarHBondContact CB-OD2 3.26Å; S128-D148 PolarHBondContact OG-OD2 2.74Å; S128-D148 VanDerWaalsContact OG-OD2 3.13Å; Y132-D148 HydrophobicContact CE2-CB 4.11Å; Y132-D148 PolarHBondContact OH-N 2.91Å; D148-F150 PolarHBondContact O-N 2.92Å; D148-F150 WeakPolarHBondContact OD1-CA 3.32Å; D148-F150 WeakPolarHBondContact OD1-CB 3.48Å; D148-F150 WeakPolarHBondContact OD1-CD2 3.48Å; D148-F150 PolarHBondContact OD1-N 3.34Å; D148-K151 HydrophobicContact CB-CB 4.14Å; D148-K151 CarbonylContact O-C 2.9Å; D148-K151 PolarHBondContact O-N 3.38Å; D148-K151 PolarHBondContact OD1-N 3.01Å; D148-K151 WeakPolarHBondContact OD2-CD 3.46Å; D148-K151 VanDerWaalsContact OD2-CG 3.31Å; D148-K151 WeakPolarHBondContact OD2-CG 3.47Å; D148-E152 PolarHBondContact O-N 2.92Å
149P96.1Very high95.2Very high0 Ų045.1 Ų45.10%021%0.206CC..THydrogen-bonded Turntrans-67.7-16.418031.4-36.5000112.8F106 H147 F206 Y207 T209 G210 S211F106-P149 HydrophobicContact CD1-CG 3.87Å; F106-P149 HydrophobicContact CE1-CG 4.14Å; F106-P149 HydrophobicContact CG-CG 4.14Å; H147-P149 VanDerWaalsContact O-CD 3.24Å; H147-P149 WeakPolarHBondContact O-CD 3.36Å; P149-F206 HydrophobicContact CB-CE1 4.49Å; P149-Y207 HydrophobicContact CG-CD2 4.14Å; P149-Y207 HydrophobicContact CG-CG 4.43Å; P149-T209 CarbonylContact O-C 3.55Å; P149-G210 PolarHBondContact O-N 3.24Å; P149-S211 VanDerWaalsContact CB-O 3.31Å; P149-S211 WeakPolarHBondContact CB-O 3.37Å; P149-S211 WeakPolarHBondContact CG-O 3.31Å
150F95.4Very high95.7Very high110 Ų11043.3 Ų43.348%0.48220%0.202SC..THydrogen-bonded Turntrans-87.3-16.6175-57.8-80.4000112.8F106 D148 G210F106-F150 AromaticContact CE1-CD2 3.9Å; F106-F150 HydrophobicContact CE1-CD2 3.9Å; F106-F150 AromaticContact CE1-CE2 3.65Å; F106-F150 HydrophobicContact CE1-CE2 3.65Å; F106-F150 AromaticContact CZ-CD2 3.7Å; F106-F150 HydrophobicContact CZ-CD2 3.7Å; F106-F150 AromaticContact CZ-CE2 3.9Å; F106-F150 HydrophobicContact CZ-CE2 3.9Å; D148-F150 PolarHBondContact O-N 2.92Å; D148-F150 WeakPolarHBondContact OD1-CA 3.32Å; D148-F150 WeakPolarHBondContact OD1-CB 3.48Å; D148-F150 WeakPolarHBondContact OD1-CD2 3.48Å; D148-F150 PolarHBondContact OD1-N 3.34Å; F150-G210 VanDerWaalsContact CE1-C 3.46Å; F150-G210 WeakPolarHBondContact CE1-O 3.46Å
151K95.5Very high96Very high55 Ų5540.2 Ų40.224%0.23919%0.188CC..  trans-12745.2179.2-63.3-174.3176.8-168.40112.2D129 D148 N153 D154 Y155D129-K151 IonicContact OD1-NZ 3.15Å; D129-K151 PolarHBondContact OD1-NZ 2.78Å; D148-K151 HydrophobicContact CB-CB 4.14Å; D148-K151 CarbonylContact O-C 2.9Å; D148-K151 PolarHBondContact O-N 3.38Å; D148-K151 PolarHBondContact OD1-N 3.01Å; D148-K151 WeakPolarHBondContact OD2-CD 3.46Å; D148-K151 VanDerWaalsContact OD2-CG 3.31Å; D148-K151 WeakPolarHBondContact OD2-CG 3.47Å; K151-N153 PolarHBondContact O-N 3.05Å; K151-N153 VanDerWaalsContact O-N 3.12Å; K151-D154 HydrophobicContact CB-CB 4.16Å; K151-D154 PolarHBondContact O-N 3.21Å; K151-Y155 PolarHBondContact O-N 3.21Å
152E96.3Very high96.3Very high16 Ų1640.2 Ų40.28%0.07519%0.188CC..Hα-helixtrans-48.4-41.6178.8-77.8-69.1139.600113.6H147 D148 D154 Y155 R156 T209H147-E152 IonicContact CD2-OE1 3.45Å; H147-E152 IonicContact NE2-OE1 2.88Å; H147-E152 PolarHBondContact NE2-OE1 3.03Å; H147-E152 IonicContact NE2-OE2 3.53Å; D148-E152 PolarHBondContact O-N 2.92Å; E152-D154 PolarHBondContact O-N 3.29Å; E152-Y155 PolarHBondContact O-N 3.28Å; E152-R156 WeakPolarHBondContact O-CB 3.08Å; E152-R156 VanDerWaalsContact O-CG 3.23Å; E152-R156 WeakPolarHBondContact O-CG 3.39Å; E152-R156 PolarHBondContact O-N 2.84Å; E152-R156 IonicContact OE2-CZ 2.79Å; E152-R156 IonicContact OE2-NE 3.71Å; E152-R156 IonicContact OE2-NH2 3.78Å; E152-R156 PolarHBondContact OE2-NH2 3.21Å; E152-T209 HydrophobicContact CB-CG2 4.36Å; E152-T209 HydrophobicContact CG-CG2 3.63Å
153N96.5Very high96.7Very high126 Ų12638 Ų3867%0.67417%0.174SC*.Hα-helixtrans-64.5-39.4179.3-70.2-21.9000112.3K151 K157K151-N153 PolarHBondContact O-N 3.05Å; K151-N153 VanDerWaalsContact O-N 3.12Å; N153-K157 WeakPolarHBondContact O-CB 3.5Å; N153-K157 PolarHBondContact O-N 3.46Å
154D96.4Very high96.9Very high60 Ų6040 Ų4032%0.32118%0.184SC..Hα-helixtrans-70.8-43.2176.3-68-16000110.4Y132 K151 E152 R156 K157 Y158Y132-D154 HydrophobicContact CD2-CB 3.9Å; Y132-D154 HydrophobicContact CE2-CB 4.33Å; Y132-D154 HydrophobicContact CG-CB 4.42Å; K151-D154 HydrophobicContact CB-CB 4.16Å; K151-D154 PolarHBondContact O-N 3.21Å; E152-D154 PolarHBondContact O-N 3.29Å; D154-R156 PolarHBondContact O-N 2.76Å; D154-K157 PolarHBondContact O-N 3.2Å; D154-Y158 HydrophobicContact CB-CD2 3.93Å; D154-Y158 HydrophobicContact CB-CE2 4.31Å; D154-Y158 VanDerWaalsContact O-CB 3.32Å; D154-Y158 WeakPolarHBondContact O-CB 3.31Å; D154-Y158 VanDerWaalsContact O-CD2 3.26Å; D154-Y158 WeakPolarHBondContact O-CD2 3.48Å; D154-Y158 PolarHBondContact O-N 3.05Å
155Y97.4Very high97Very high0 Ų040 Ų400%018%0.184CC..Hα-helixtrans-52.8-54.5173.1159.4-115.5000111.4Y132 H147 K151 E152 K157 S159 L162 A163 E168Y132-Y155 HydrophobicContact CE1-CD2 4.47Å; Y132-Y155 WeakPolarHBondContact OH-CB 3.27Å; H147-Y155 HydrophobicContact CB-CD2 4.32Å; H147-Y155 HydrophobicContact CB-CE2 4.21Å; H147-Y155 AromaticContact CD2-CD1 3.38Å; H147-Y155 WeakPolarHBondContact CD2-CD1 3.1Å; H147-Y155 AromaticContact CD2-CD2 3.97Å; H147-Y155 AromaticContact CD2-CE1 3.49Å; H147-Y155 VanDerWaalsContact CD2-CE1 3.49Å; H147-Y155 WeakPolarHBondContact CD2-CE1 3.24Å; H147-Y155 AromaticContact CD2-CG 3.64Å; H147-Y155 AromaticContact CD2-CZ 3.84Å; H147-Y155 AromaticContact CE1-CE1 3.67Å; H147-Y155 AromaticContact CE1-CZ 3.94Å; H147-Y155 AromaticContact CG-CZ 3.91Å; H147-Y155 AromaticContact ND1-CZ 3.99Å; H147-Y155 AromaticContact NE2-CD1 3.43Å; H147-Y155 WeakPolarHBondContact NE2-CD1 3.25Å; H147-Y155 AromaticContact NE2-CE1 3.24Å; H147-Y155 WeakPolarHBondContact NE2-CE1 3.41Å; H147-Y155 AromaticContact NE2-CZ 3.86Å; K151-Y155 PolarHBondContact O-N 3.21Å; E152-Y155 PolarHBondContact O-N 3.28Å; Y155-K157 VanDerWaalsContact C-N 3.32Å; Y155-K157 PolarHBondContact O-N 2.94Å; Y155-S159 WeakPolarHBondContact O-CB 3.35Å; Y155-S159 PolarHBondContact O-N 3.44Å; Y155-L162 HydrophobicContact CE2-CB 4.26Å; Y155-L162 HydrophobicContact CE2-CD2 3.94Å; Y155-L162 HydrophobicContact CE2-CG 4.19Å; Y155-A163 HydrophobicContact CE2-CB 4Å; Y155-E168 HydrophobicContact CE1-CG 3.75Å; Y155-E168 WeakPolarHBondContact CE1-OE1 3.19Å; Y155-E168 WeakPolarHBondContact OH-CG 3.31Å; Y155-E168 PolarHBondContact OH-OE1 2.79Å
156R97.4Very high97.1Very high78 Ų7839.8 Ų39.829%0.29418%0.183SC..Hα-helixtrans-61.7-40.9-179.3-67.8-173.2-168.1137.316.2111.8E152 D154 E168 N169E152-R156 WeakPolarHBondContact O-CB 3.08Å; E152-R156 VanDerWaalsContact O-CG 3.23Å; E152-R156 WeakPolarHBondContact O-CG 3.39Å; E152-R156 PolarHBondContact O-N 2.84Å; E152-R156 IonicContact OE2-CZ 2.79Å; E152-R156 IonicContact OE2-NE 3.71Å; E152-R156 IonicContact OE2-NH2 3.78Å; E152-R156 PolarHBondContact OE2-NH2 3.21Å; D154-R156 PolarHBondContact O-N 2.76Å; R156-E168 HydrophobicContact CB-CB 4.45Å; R156-E168 HydrophobicContact CG-CB 3.89Å; R156-E168 HydrophobicContact CG-CG 4.36Å; R156-E168 IonicContact NE-OE2 2.89Å; R156-N169 PolarHBondContact O-ND2 3.22Å
157K97Very high97.2Very high145 Ų14539.4 Ų39.463%0.6318%0.182SC*.Hα-helixtrans-76.2-37.5-176-174175.7176.7-167.70113.6N153 D154 Y155N153-K157 WeakPolarHBondContact O-CB 3.5Å; N153-K157 PolarHBondContact O-N 3.46Å; D154-K157 PolarHBondContact O-N 3.2Å; Y155-K157 VanDerWaalsContact C-N 3.32Å; Y155-K157 PolarHBondContact O-N 2.94Å
158Y96.9Very high97.2Very high96 Ų9640.8 Ų40.838%0.37619%0.188SC..Hα-helixtrans-113.6-17.3-166.2-60.5-65.5000114.5Y132 Q137 D154 Q160Y132-Y158 WeakPolarHBondContact O-CB 3.25Å; Q137-Y158 WeakPolarHBondContact CG-O 3.41Å; D154-Y158 HydrophobicContact CB-CD2 3.93Å; D154-Y158 HydrophobicContact CB-CE2 4.31Å; D154-Y158 VanDerWaalsContact O-CB 3.32Å; D154-Y158 WeakPolarHBondContact O-CB 3.31Å; D154-Y158 VanDerWaalsContact O-CD2 3.26Å; D154-Y158 WeakPolarHBondContact O-CD2 3.48Å; D154-Y158 PolarHBondContact O-N 3.05Å; Y158-Q160 PolarHBondContact O-N 3.39Å; Y158-Q160 VanDerWaalsContact O-N 3.14Å
159S97.5Very high97.2Very high11 Ų1145.7 Ų45.78%0.07722%0.215CC..  trans-63.3116.8173.9177.60000110.3Q144 Y155 F161 L162 A163Q144-S159 PolarHBondContact O-OG 3.39Å; Y155-S159 WeakPolarHBondContact O-CB 3.35Å; Y155-S159 PolarHBondContact O-N 3.44Å; S159-F161 VanDerWaalsContact C-N 3.27Å; S159-F161 PolarHBondContact O-N 3.04Å; S159-L162 PolarHBondContact OG-N 3.47Å; S159-A163 PolarHBondContact OG-N 3.16Å
160Q96.5Very high97.3Very high67 Ų6754.5 Ų54.531%0.31325%0.248SC..SBendtrans-82.7-2.9-176.3-69.7-176.8-1200113.6N48 Q137 S138 Y158N48-Q160 PolarHBondContact ND2-O 3.11Å; Q137-Q160 HydrophobicContact CB-CB 4.29Å; Q137-Q160 VanDerWaalsContact CB-CD 3.47Å; Q137-Q160 HydrophobicContact CB-CG 3.74Å; Q137-Q160 HydrophobicContact CG-CG 4.32Å; S138-Q160 VanDerWaalsContact CA-OE1 3.3Å; Y158-Q160 PolarHBondContact O-N 3.39Å; Y158-Q160 VanDerWaalsContact O-N 3.14Å
161F97.9Very high97.4Very high0 Ų052.1 Ų52.10%024%0.242CC..SBendtrans-139.2-66.5-175.2172.6-116.5000112.8I47 L51 L78 L79 A82 Q144 S159 A163 D164 I165I47-F161 HydrophobicContact CB-CD1 4.19Å; I47-F161 HydrophobicContact CB-CD2 4.11Å; I47-F161 HydrophobicContact CB-CE1 4.38Å; I47-F161 HydrophobicContact CB-CE2 4.38Å; I47-F161 HydrophobicContact CB-CG 4.01Å; I47-F161 HydrophobicContact CB-CZ 4.49Å; I47-F161 HydrophobicContact CD1-CD1 3.38Å; I47-F161 HydrophobicContact CD1-CE1 3.61Å; I47-F161 HydrophobicContact CD1-CG 4Å; I47-F161 HydrophobicContact CD1-CZ 4.45Å; I47-F161 HydrophobicContact CG1-CD1 4.38Å; I47-F161 HydrophobicContact CG2-CD1 3.97Å; I47-F161 HydrophobicContact CG2-CD2 3.64Å; I47-F161 HydrophobicContact CG2-CE1 3.71Å; I47-F161 HydrophobicContact CG2-CE2 3.44Å; I47-F161 VanDerWaalsContact CG2-CE2 3.44Å; I47-F161 HydrophobicContact CG2-CG 3.91Å; I47-F161 HydrophobicContact CG2-CZ 3.45Å; I47-F161 VanDerWaalsContact CG2-CZ 3.45Å; L51-F161 HydrophobicContact CD1-CD2 4.36Å; L51-F161 HydrophobicContact CD1-CE2 3.63Å; L51-F161 HydrophobicContact CD1-CZ 4.4Å; L78-F161 HydrophobicContact CD2-CD1 4.38Å; L78-F161 HydrophobicContact CD2-CE1 3.52Å; L78-F161 HydrophobicContact CD2-CZ 4.29Å; L78-F161 HydrophobicContact CG-CE1 3.86Å; L78-F161 HydrophobicContact CG-CZ 4.14Å; L79-F161 HydrophobicContact CD2-CE1 4.41Å; L79-F161 HydrophobicContact CD2-CZ 4.11Å; A82-F161 HydrophobicContact CB-CE2 3.76Å; A82-F161 HydrophobicContact CB-CZ 3.78Å; Q144-F161 HydrophobicContact CB-CB 3.89Å; Q144-F161 HydrophobicContact CB-CD1 4.47Å; Q144-F161 HydrophobicContact CG-CB 4.42Å; S159-F161 VanDerWaalsContact C-N 3.27Å; S159-F161 PolarHBondContact O-N 3.04Å; F161-A163 PolarHBondContact O-N 3.26Å; F161-D164 WeakPolarHBondContact O-CB 3.26Å; F161-D164 PolarHBondContact O-N 3.22Å; F161-D164 VanDerWaalsContact O-N 3.13Å; F161-I165 HydrophobicContact CD1-CD1 4.46Å; F161-I165 HydrophobicContact CD2-CD1 4.41Å; F161-I165 HydrophobicContact CD2-CG2 4.14Å; F161-I165 HydrophobicContact CE1-CD1 3.8Å; F161-I165 HydrophobicContact CE2-CD1 3.66Å; F161-I165 HydrophobicContact CE2-CG1 4.29Å; F161-I165 HydrophobicContact CE2-CG2 3.79Å; F161-I165 HydrophobicContact CZ-CD1 3.33Å; F161-I165 HydrophobicContact CZ-CG1 4.35Å; F161-I165 PolarHBondContact O-N 2.91Å
162L98.5Very high97.5Very high0 Ų051.3 Ų51.30%024%0.241CC..Hα-helixtrans-62-44.2-170.9-177.369000111.9L78 G104 Q144 H147 Y155 S159 D164 I165 N166L78-L162 HydrophobicContact CD1-CD1 4.23Å; L78-L162 HydrophobicContact CD2-CD1 3.99Å; G104-L162 VanDerWaalsContact CA-CD2 3.46Å; Q144-L162 WeakPolarHBondContact O-CB 3.44Å; Q144-L162 PolarHBondContact O-N 3.48Å; Q144-L162 VanDerWaalsContact O-N 3.12Å; H147-L162 HydrophobicContact CB-CD2 4Å; Y155-L162 HydrophobicContact CE2-CB 4.26Å; Y155-L162 HydrophobicContact CE2-CD2 3.94Å; Y155-L162 HydrophobicContact CE2-CG 4.19Å; S159-L162 PolarHBondContact OG-N 3.47Å; L162-D164 VanDerWaalsContact C-N 3.27Å; L162-D164 PolarHBondContact O-N 2.99Å; L162-I165 WeakPolarHBondContact O-CG1 3.47Å; L162-I165 PolarHBondContact O-N 3.1Å; L162-N166 VanDerWaalsContact O-CB 3.25Å; L162-N166 WeakPolarHBondContact O-CB 3.47Å; L162-N166 PolarHBondContact O-N 3.15Å
163A98.2Very high97.6Very high1 Ų154.9 Ų54.91%0.00826%0.257CS..Hα-helixtrans-63.5-32.4178.200000113.2Y155 S159 F161 Q167 E168Y155-A163 HydrophobicContact CE2-CB 4Å; S159-A163 PolarHBondContact OG-N 3.16Å; F161-A163 PolarHBondContact O-N 3.26Å; A163-Q167 PolarHBondContact O-N 2.86Å; A163-E168 HydrophobicContact CB-CB 4.07Å; A163-E168 HydrophobicContact CB-CG 3.8Å; A163-E168 WeakPolarHBondContact O-CB 3.14Å; A163-E168 WeakPolarHBondContact O-CG 3.36Å; A163-E168 PolarHBondContact O-N 3.09Å
164D98.3Very high97.7Very high46 Ų4652.8 Ų52.825%0.24625%0.249CC..Hα-helixtrans-67.2-56.2174.5172.756.4000110.7K86 F161 L162 N166 Q167K86-D164 VanDerWaalsContact CE-OD2 3.26Å; K86-D164 WeakPolarHBondContact CE-OD2 3.39Å; K86-D164 IonicContact NZ-OD2 3.86Å; K86-D164 PolarHBondContact NZ-OD2 3.3Å; F161-D164 WeakPolarHBondContact O-CB 3.26Å; F161-D164 PolarHBondContact O-N 3.22Å; F161-D164 VanDerWaalsContact O-N 3.13Å; L162-D164 VanDerWaalsContact C-N 3.27Å; L162-D164 PolarHBondContact O-N 2.99Å; D164-N166 PolarHBondContact O-N 2.63Å; D164-Q167 PolarHBondContact O-N 2.82Å
165I98.4Very high97.7Very high0 Ų051.5 Ų51.50%024%0.24CC..Hα-helixtrans-72-12.6-177.467.4168.4000113.6L78 R81 A82 Q85 K86 F161 L162 L229L78-I165 HydrophobicContact CD1-CD1 3.57Å; L78-I165 HydrophobicContact CG-CD1 4.11Å; R81-I165 PolarHBondContact NH1-O 3.46Å; A82-I165 HydrophobicContact CB-CD1 4.06Å; A82-I165 HydrophobicContact CB-CG2 4.27Å; Q85-I165 PolarHBondContact NE2-O 3.05Å; K86-I165 HydrophobicContact CD-CG2 4.26Å; F161-I165 HydrophobicContact CD1-CD1 4.46Å; F161-I165 HydrophobicContact CD2-CD1 4.41Å; F161-I165 HydrophobicContact CD2-CG2 4.14Å; F161-I165 HydrophobicContact CE1-CD1 3.8Å; F161-I165 HydrophobicContact CE2-CD1 3.66Å; F161-I165 HydrophobicContact CE2-CG1 4.29Å; F161-I165 HydrophobicContact CE2-CG2 3.79Å; F161-I165 HydrophobicContact CZ-CD1 3.33Å; F161-I165 HydrophobicContact CZ-CG1 4.35Å; F161-I165 PolarHBondContact O-N 2.91Å; L162-I165 WeakPolarHBondContact O-CG1 3.47Å; L162-I165 PolarHBondContact O-N 3.1Å; I165-L229 WeakPolarHBondContact O-CD2 3.43Å
166N98.6Very high97.8Very high2 Ų254.2 Ų54.21%0.01125%0.25CS..THydrogen-bonded Turntrans-96.52.6171.7-73.81000113.3R81 Q102 Q103 L162 D164 E168 L223R81-N166 PolarHBondContact NH1-OD1 2.8Å; R81-N166 PolarHBondContact NH2-OD1 3.37Å; Q102-N166 PolarHBondContact O-ND2 2.9Å; Q103-N166 PolarHBondContact OE1-ND2 2.95Å; L162-N166 VanDerWaalsContact O-CB 3.25Å; L162-N166 WeakPolarHBondContact O-CB 3.47Å; L162-N166 PolarHBondContact O-N 3.15Å; D164-N166 PolarHBondContact O-N 2.63Å; N166-E168 HydrophobicContact CB-CG 4.16Å; N166-E168 PolarHBondContact O-N 3.03Å; N166-L223 WeakPolarHBondContact O-CD1 3.06Å
167Q98.2Very high97.8Very high4 Ų453.9 Ų53.92%0.01925%0.252CS..THydrogen-bonded Turntrans59.636.4174.3-45.3-88.663.800111.7A163 D164 N169 R170 N172 R228 L229A163-Q167 PolarHBondContact O-N 2.86Å; D164-Q167 PolarHBondContact O-N 2.82Å; Q167-N169 PolarHBondContact O-N 3.3Å; Q167-R170 WeakPolarHBondContact CA-O 2.94Å; Q167-R170 WeakPolarHBondContact CB-O 3.22Å; Q167-N172 VanDerWaalsContact CD-N 3.32Å; Q167-N172 PolarHBondContact NE2-O 3.37Å; Q167-N172 VanDerWaalsContact OE1-CB 3.22Å; Q167-R228 HydrophobicContact CB-CB 4.01Å; Q167-R228 HydrophobicContact CG-CB 4.44Å; Q167-R228 PolarHBondContact NE2-O 3.13Å; Q167-R228 VanDerWaalsContact NE2-O 3.17Å; Q167-R228 PolarHBondContact O-NH1 2.77Å; Q167-L229 HydrophobicContact CG-CD2 3.51Å; Q167-L229 HydrophobicContact CG-CG 3.94Å
168E97.8Very high97.9Very high35 Ų3547.7 Ų47.716%0.16423%0.226CC..SBendtrans-65.5-40.6-173.1-66.4-66.9173.100112.2Y155 R156 A163 N166 R228Y155-E168 HydrophobicContact CE1-CG 3.75Å; Y155-E168 WeakPolarHBondContact CE1-OE1 3.19Å; Y155-E168 WeakPolarHBondContact OH-CG 3.31Å; Y155-E168 PolarHBondContact OH-OE1 2.79Å; R156-E168 HydrophobicContact CB-CB 4.45Å; R156-E168 HydrophobicContact CG-CB 3.89Å; R156-E168 HydrophobicContact CG-CG 4.36Å; R156-E168 IonicContact NE-OE2 2.89Å; A163-E168 HydrophobicContact CB-CB 4.07Å; A163-E168 HydrophobicContact CB-CG 3.8Å; A163-E168 WeakPolarHBondContact O-CB 3.14Å; A163-E168 WeakPolarHBondContact O-CG 3.36Å; A163-E168 PolarHBondContact O-N 3.09Å; N166-E168 HydrophobicContact CB-CG 4.16Å; N166-E168 PolarHBondContact O-N 3.03Å; E168-R228 PolarHBondContact O-NH1 3.41Å
169N96.9Very high97.9Very high108 Ų10843.1 Ų43.158%0.57821%0.208SC*.SBendtrans-96.3-33.3-175.7-61.5-60.3000113.3R156 Q167R156-N169 PolarHBondContact O-ND2 3.22Å; Q167-N169 PolarHBondContact O-N 3.3Å
170R96.7Very high98Very high184 Ų18444.4 Ų44.469%0.69421%0.212SC*.SBendtrans-155.8150-17764.9-178.3178.4-171.10.2110.3Q167 N172Q167-R170 WeakPolarHBondContact CA-O 2.94Å; Q167-R170 WeakPolarHBondContact CB-O 3.22Å; R170-N172 PolarHBondContact O-N 3.36Å
171V98.1Very high98Very high60 Ų6048 Ų4836%0.36423%0.226SC..  trans-83.3110.4171.6-178.80000109.2E173 R228V171-E173 WeakPolarHBondContact CG1-OE1 3.28Å; V171-E173 PolarHBondContact O-N 2.87Å; V171-R228 HydrophobicContact CG2-CB 4.11Å; V171-R228 HydrophobicContact CG2-CG 4.03Å
172N98.2Very high98Very high39 Ų3948 Ų4821%0.20923%0.227CC..  trans-82.4105.3165.9-173.2-29.5000109.5Q167 R170 T174 Y175 R176Q167-N172 VanDerWaalsContact CD-N 3.32Å; Q167-N172 PolarHBondContact NE2-O 3.37Å; Q167-N172 VanDerWaalsContact OE1-CB 3.22Å; R170-N172 PolarHBondContact O-N 3.36Å; N172-T174 PolarHBondContact O-N 2.97Å; N172-T174 WeakPolarHBondContact OD1-CB 3.48Å; N172-T174 PolarHBondContact OD1-N 3.13Å; N172-T174 VanDerWaalsContact OD1-N 3.07Å; N172-Y175 HydrophobicContact CB-CD2 3.89Å; N172-Y175 HydrophobicContact CB-CE2 4.34Å; N172-Y175 HydrophobicContact CB-CG 3.98Å; N172-Y175 WeakPolarHBondContact ND2-CE1 2.97Å; N172-Y175 PolarHBondContact O-N 3.07Å; N172-Y175 VanDerWaalsContact O-N 3.1Å; N172-R176 PolarHBondContact O-N 3.42Å; N172-R176 VanDerWaalsContact O-N 3.17Å
173E98Very high97.9Very high91 Ų9153.8 Ų53.843%0.42525%0.249SC..Hα-helixtrans-60-32.1-178.1-68.5-58.5152.600112.7V171 Y175 R176 E177V171-E173 WeakPolarHBondContact CG1-OE1 3.28Å; V171-E173 PolarHBondContact O-N 2.87Å; E173-Y175 PolarHBondContact O-N 3.5Å; E173-R176 PolarHBondContact O-N 2.75Å; E173-R176 IonicContact OE1-NH1 2.85Å; E173-R176 IonicContact OE2-NH1 2.64Å; E173-E177 WeakPolarHBondContact O-CB 3.43Å; E173-E177 VanDerWaalsContact O-CG 3.32Å; E173-E177 WeakPolarHBondContact O-CG 3.23Å; E173-E177 PolarHBondContact O-N 2.88Å
174T97.9Very high97.9Very high82 Ų8255.8 Ų55.850%0.50326%0.256SS..Hα-helixtrans-60.9-44.6175.2-58.30000111.4N172 R176 N178N172-T174 PolarHBondContact O-N 2.97Å; N172-T174 WeakPolarHBondContact OD1-CB 3.48Å; N172-T174 PolarHBondContact OD1-N 3.13Å; N172-T174 VanDerWaalsContact OD1-N 3.07Å; T174-R176 VanDerWaalsContact C-N 3.34Å; T174-R176 PolarHBondContact O-N 3.28Å; T174-N178 VanDerWaalsContact O-CB 3.3Å; T174-N178 WeakPolarHBondContact O-CB 3.24Å; T174-N178 PolarHBondContact O-N 3.41Å; T174-N178 PolarHBondContact O-ND2 2.88Å
175Y98.2Very high98Very high33 Ų3353.6 Ų53.613%0.12924%0.244CC..Hα-helixtrans-64.8-43.1179.3-67-0.4000111.1Q85 K86 N172 E173 L179Q85-Y175 HydrophobicContact CB-CD1 4.36Å; Q85-Y175 HydrophobicContact CB-CG 4.11Å; Q85-Y175 WeakPolarHBondContact O-CD1 3.25Å; K86-Y175 HydrophobicContact CB-CE1 4.35Å; K86-Y175 WeakPolarHBondContact CE-OH 3.49Å; K86-Y175 HydrophobicContact CG-CD1 4.47Å; K86-Y175 HydrophobicContact CG-CE1 3.85Å; K86-Y175 HydrophobicContact CG-CE2 4.35Å; N172-Y175 HydrophobicContact CB-CD2 3.89Å; N172-Y175 HydrophobicContact CB-CE2 4.34Å; N172-Y175 HydrophobicContact CB-CG 3.98Å; N172-Y175 WeakPolarHBondContact ND2-CE1 2.97Å; N172-Y175 PolarHBondContact O-N 3.07Å; N172-Y175 VanDerWaalsContact O-N 3.1Å; E173-Y175 PolarHBondContact O-N 3.5Å; Y175-L179 WeakPolarHBondContact O-CB 3.45Å; Y175-L179 PolarHBondContact O-N 2.76Å
176R98.3Very high98Very high56 Ų5653.6 Ų53.621%0.21124%0.244CC..Hα-helixtrans-62.4-50.5178.1-173-178.5-179.8-156.21.3111.5N172 E173 T174 L179 K180 D227N172-R176 PolarHBondContact O-N 3.42Å; N172-R176 VanDerWaalsContact O-N 3.17Å; E173-R176 PolarHBondContact O-N 2.75Å; E173-R176 IonicContact OE1-NH1 2.85Å; E173-R176 IonicContact OE2-NH1 2.64Å; T174-R176 VanDerWaalsContact C-N 3.34Å; T174-R176 PolarHBondContact O-N 3.28Å; R176-L179 PolarHBondContact O-N 2.99Å; R176-K180 WeakPolarHBondContact O-CG 3.38Å; R176-K180 PolarHBondContact O-N 2.9Å; R176-D227 IonicContact CZ-OD2 3.97Å; R176-D227 PolarHBondContact NE-O 3.39Å; R176-D227 IonicContact NE-OD2 2.9Å; R176-D227 IonicContact NH2-OD2 3.17Å; R176-D227 PolarHBondContact NH2-OD2 2.83Å
177E98.1Very high98Very high71 Ų7153.5 Ų53.533%0.33224%0.244SC..Hα-helixtrans-63.8-42.2179.3-70.4-48.9137.400112.3E173 L179 K180 K181E173-E177 WeakPolarHBondContact O-CB 3.43Å; E173-E177 VanDerWaalsContact O-CG 3.32Å; E173-E177 WeakPolarHBondContact O-CG 3.23Å; E173-E177 PolarHBondContact O-N 2.88Å; E177-L179 VanDerWaalsContact C-N 3.35Å; E177-L179 PolarHBondContact O-N 3.01Å; E177-K180 PolarHBondContact O-N 3.29Å; E177-K180 WeakPolarHBondContact OE1-CE 3.43Å; E177-K180 IonicContact OE1-NZ 3.51Å; E177-K180 PolarHBondContact OE1-NZ 3.12Å; E177-K180 WeakPolarHBondContact OE2-CE 3.4Å; E177-K180 IonicContact OE2-NZ 3.23Å; E177-K180 PolarHBondContact OE2-NZ 3.43Å; E177-K180 VanDerWaalsContact OE2-NZ 3.15Å; E177-K181 VanDerWaalsContact O-CG 3.25Å; E177-K181 WeakPolarHBondContact O-CG 3.22Å; E177-K181 PolarHBondContact O-N 3.37Å; E177-K181 VanDerWaalsContact O-N 3.13Å
178N98.2Very high98Very high15 Ų1553.3 Ų53.38%0.0824%0.243CC..Hα-helixtrans-64-41.8178.7-70-14000111.6A84 Q85 T174 K181A84-N178 VanDerWaalsContact O-CB 3.24Å; A84-N178 WeakPolarHBondContact O-CB 3.49Å; Q85-N178 PolarHBondContact O-ND2 2.76Å; T174-N178 VanDerWaalsContact O-CB 3.3Å; T174-N178 WeakPolarHBondContact O-CB 3.24Å; T174-N178 PolarHBondContact O-N 3.41Å; T174-N178 PolarHBondContact O-ND2 2.88Å; N178-K181 PolarHBondContact O-N 2.87Å
179L98.2Very high98.1Very high0 Ų052.7 Ų52.70%024%0.239CC..Hα-helixtrans-67.7-37.2177.5-163.868.5000112R81 A84 Q85 Y175 R176 E177 K181 I182 L229 L231 L234R81-L179 HydrophobicContact CG-CD1 4.27Å; A84-L179 HydrophobicContact CB-CD1 4.38Å; Q85-L179 HydrophobicContact CG-CB 4.12Å; Q85-L179 HydrophobicContact CG-CD1 4.2Å; Q85-L179 HydrophobicContact CG-CD2 4.49Å; Y175-L179 WeakPolarHBondContact O-CB 3.45Å; Y175-L179 PolarHBondContact O-N 2.76Å; R176-L179 PolarHBondContact O-N 2.99Å; E177-L179 VanDerWaalsContact C-N 3.35Å; E177-L179 PolarHBondContact O-N 3.01Å; L179-K181 VanDerWaalsContact C-N 3.25Å; L179-K181 PolarHBondContact O-N 3.16Å; L179-I182 HydrophobicContact CD1-CD1 3.94Å; L179-I182 HydrophobicContact CG-CD1 4.47Å; L179-I182 VanDerWaalsContact O-CG1 3.24Å; L179-I182 WeakPolarHBondContact O-CG1 3.34Å; L179-I182 PolarHBondContact O-N 3.44Å; L179-L229 HydrophobicContact CD2-CB 4.06Å; L179-L231 HydrophobicContact CD2-CD2 4.13Å; L179-L234 HydrophobicContact CG-CD1 4.25Å
180K97.7Very high98.1Very high38 Ų3847.5 Ų47.517%0.16521%0.212CC..Hα-helixtrans-62.9-29.8174-73.2-174.2-60.8178.40113.5R176 E177 I182 V233 R237R176-K180 WeakPolarHBondContact O-CG 3.38Å; R176-K180 PolarHBondContact O-N 2.9Å; E177-K180 PolarHBondContact O-N 3.29Å; E177-K180 WeakPolarHBondContact OE1-CE 3.43Å; E177-K180 IonicContact OE1-NZ 3.51Å; E177-K180 PolarHBondContact OE1-NZ 3.12Å; E177-K180 WeakPolarHBondContact OE2-CE 3.4Å; E177-K180 IonicContact OE2-NZ 3.23Å; E177-K180 PolarHBondContact OE2-NZ 3.43Å; E177-K180 VanDerWaalsContact OE2-NZ 3.15Å; K180-I182 VanDerWaalsContact C-N 3.35Å; K180-V233 HydrophobicContact CD-CB 4.04Å; K180-V233 HydrophobicContact CD-CG1 4.09Å; K180-V233 HydrophobicContact CD-CG2 3.98Å; K180-V233 HydrophobicContact CG-CB 4.23Å; K180-V233 HydrophobicContact CG-CG1 4.29Å; K180-R237 PolarHBondContact O-NH1 3.5Å
181K96.9Very high98Very high142 Ų14241 Ų4162%0.61719%0.193SC*.Hα-helixtrans-76.4-17.6-177.9-74168.1-171.4171.30114E177 N178 L179E177-K181 VanDerWaalsContact O-CG 3.25Å; E177-K181 WeakPolarHBondContact O-CG 3.22Å; E177-K181 PolarHBondContact O-N 3.37Å; E177-K181 VanDerWaalsContact O-N 3.13Å; N178-K181 PolarHBondContact O-N 2.87Å; L179-K181 VanDerWaalsContact C-N 3.25Å; L179-K181 PolarHBondContact O-N 3.16Å
182I98.1Very high97.8Very high1 Ų143 Ų431%0.00520%0.202CC..SBendtrans-61.2151.7178.477.3-170.5000110.2A84 V92 V95 L179 K180 L185 L234 R237A84-I182 HydrophobicContact CB-CG2 4.15Å; V92-I182 HydrophobicContact CB-CG2 4.01Å; V92-I182 HydrophobicContact CG1-CB 4.3Å; V92-I182 HydrophobicContact CG1-CG2 3.85Å; V92-I182 VanDerWaalsContact O-CA 3.32Å; V92-I182 WeakPolarHBondContact O-CA 3.31Å; V95-I182 HydrophobicContact CB-CD1 4.46Å; V95-I182 HydrophobicContact CG2-CB 4.45Å; V95-I182 HydrophobicContact CG2-CD1 4.18Å; V95-I182 HydrophobicContact CG2-CG2 4.24Å; L179-I182 HydrophobicContact CD1-CD1 3.94Å; L179-I182 HydrophobicContact CG-CD1 4.47Å; L179-I182 VanDerWaalsContact O-CG1 3.24Å; L179-I182 WeakPolarHBondContact O-CG1 3.34Å; L179-I182 PolarHBondContact O-N 3.44Å; K180-I182 VanDerWaalsContact C-N 3.35Å; I182-L185 HydrophobicContact CD1-CB 3.92Å; I182-L234 HydrophobicContact CD1-CD1 4.04Å; I182-L234 HydrophobicContact CG1-CD1 4.4Å; I182-L234 HydrophobicContact CG1-CD2 4.13Å; I182-R237 PolarHBondContact O-NH2 3.18Å
183R97.7Very high97.6Very high122 Ų12241.7 Ų41.746%0.4619%0.194SC..SBendtrans-65.9-51.4176.3-168.1-175.9178.9-179.60.1110.9V92 G93 R237 D239V92-R183 PolarHBondContact O-N 3.43Å; V92-R183 VanDerWaalsContact O-N 3.13Å; G93-R183 PolarHBondContact O-N 2.93Å; R183-R237 PolarHBondContact O-NH2 2.99Å; R183-D239 VanDerWaalsContact O-CB 3.3Å; R183-D239 WeakPolarHBondContact O-CB 3.39Å; R183-D239 VanDerWaalsContact O-OD2 3.06Å
184R98.4Very high97.2Very high42 Ų4238.4 Ų38.416%0.15818%0.181CC..EExtended strand (participates in β ladder)trans-148.3146.9-176.3-65.7177.1-170.2120.2-3.9111.5T94 V95 D239 Y241T94-R184 WeakPolarHBondContact CA-O 3.42Å; T94-R184 HydrophobicContact CG2-CB 4.08Å; V95-R184 PolarHBondContact N-O 3.21Å; R184-D239 CarbonylContact C-O 3.52Å; R184-D239 WeakPolarHBondContact CA-O 3.4Å; R184-D239 HydrophobicContact CG-CB 4.36Å; R184-Y241 HydrophobicContact CB-CD2 4.47Å; R184-Y241 HydrophobicContact CB-CE2 4.33Å; R184-Y241 HydrophobicContact CG-CE2 3.93Å
185L98.8Very high96.9Very high1 Ų136.1 Ų36.11%0.00517%0.166CC..EExtended strand (participates in β ladder)trans-112.2116165.9-174.355.5000109.3V95 I182 L187 F204 L231 L234 D239 L240 Y241V95-L185 HydrophobicContact CB-CD1 4.09Å; V95-L185 HydrophobicContact CG1-CD1 4.09Å; I182-L185 HydrophobicContact CD1-CB 3.92Å; L185-L187 HydrophobicContact CD1-CD2 3.83Å; L185-L187 HydrophobicContact CD2-CD1 4.5Å; L185-L187 HydrophobicContact CD2-CD2 4.34Å; L185-L187 HydrophobicContact CG-CD2 3.86Å; L185-L187 HydrophobicContact CG-CG 4.09Å; L185-F204 HydrophobicContact CD2-CE2 4.25Å; L185-L231 HydrophobicContact CD2-CD2 3.81Å; L185-L234 HydrophobicContact CB-CD1 4.36Å; L185-L234 HydrophobicContact CD2-CD1 4.46Å; L185-D239 PolarHBondContact N-O 3.16Å; L185-L240 HydrophobicContact CB-CD1 4Å; L185-L240 HydrophobicContact CD2-CD1 3.83Å; L185-L240 HydrophobicContact CG-CD1 3.96Å; L185-Y241 PolarHBondContact O-N 3.41Å
186V98.8Very high96.7Very high0 Ų034.6 Ų34.60%016%0.161CC..EExtended strand (participates in β ladder)trans-111.9117.5179.9-177.80000109T94 V95 V96 S97 Y241 I243 I261 F265T94-V186 HydrophobicContact CG2-CG2 3.79Å; V95-V186 PolarHBondContact O-N 3.42Å; V96-V186 CarbonylContact C-O 3.56Å; V96-V186 WeakPolarHBondContact CA-O 3.23Å; V96-V186 HydrophobicContact CB-CB 4.46Å; V96-V186 HydrophobicContact CG1-CB 4.28Å; V96-V186 HydrophobicContact CG1-CG1 4.29Å; V96-V186 HydrophobicContact CG2-CB 4.21Å; V96-V186 HydrophobicContact CG2-CG2 4.49Å; S97-V186 PolarHBondContact N-O 3.43Å; V186-Y241 HydrophobicContact CG2-CD2 4.21Å; V186-I243 HydrophobicContact CG1-CD1 3.58Å; V186-I243 HydrophobicContact CG1-CG1 4.37Å; V186-I261 HydrophobicContact CG1-CD1 4.31Å; V186-F265 HydrophobicContact CG1-CD2 4.11Å; V186-F265 HydrophobicContact CG1-CE2 3.82Å; V186-F265 HydrophobicContact CG1-CZ 4.27Å; V186-F265 HydrophobicContact CG2-CB 4.35Å; V186-F265 HydrophobicContact CG2-CD1 3.83Å; V186-F265 HydrophobicContact CG2-CD2 3.89Å; V186-F265 HydrophobicContact CG2-CE1 4Å; V186-F265 HydrophobicContact CG2-CE2 4.06Å; V186-F265 HydrophobicContact CG2-CG 3.77Å; V186-F265 HydrophobicContact CG2-CZ 4.11Å
187L98.8Very high96.5Very high0 Ų033 Ų330%016%0.156CC..EExtended strand (participates in β ladder)trans-116.6115.8-176.4-56-177.4000110.1Q102 L185 S202 W203 F204 L240 Y241 L242 I243Q102-L187 HydrophobicContact CG-CD2 4.31Å; L185-L187 HydrophobicContact CD1-CD2 3.83Å; L185-L187 HydrophobicContact CD2-CD1 4.5Å; L185-L187 HydrophobicContact CD2-CD2 4.34Å; L185-L187 HydrophobicContact CG-CD2 3.86Å; L185-L187 HydrophobicContact CG-CG 4.09Å; L187-S202 WeakPolarHBondContact CB-O 3.06Å; L187-W203 PolarHBondContact O-NE1 3.14Å; L187-F204 HydrophobicContact CD1-CD2 3.66Å; L187-F204 HydrophobicContact CD1-CE2 4Å; L187-L240 HydrophobicContact CD1-CD1 4.05Å; L187-L240 HydrophobicContact CG-CD1 4.41Å; L187-Y241 PolarHBondContact N-O 3.38Å; L187-L242 HydrophobicContact CB-CD2 4.13Å; L187-L242 HydrophobicContact CD1-CD2 3.83Å; L187-L242 HydrophobicContact CG-CD2 4.37Å; L187-I243 PolarHBondContact O-N 2.59Å
188V98.7Very high96.4Very high0 Ų029.9 Ų29.90%014%0.142CC..EExtended strand (participates in β ladder)trans-100.2124.1176.4-172.40000109.8S97 I98 G99 F190 I243 K245 W256 I261S97-V188 PolarHBondContact O-N 3.49Å; I98-V188 HydrophobicContact CG1-CG2 4.16Å; I98-V188 HydrophobicContact CG2-CB 4.33Å; G99-V188 PolarHBondContact N-O 3.12Å; V188-F190 HydrophobicContact CG1-CE2 4.4Å; V188-F190 HydrophobicContact CG1-CZ 4.25Å; V188-I243 CarbonylContact C-O 3.56Å; V188-I243 VanDerWaalsContact CA-O 3.26Å; V188-I243 WeakPolarHBondContact CA-O 2.99Å; V188-I243 HydrophobicContact CG2-CB 4.3Å; V188-K245 HydrophobicContact CG1-CB 4.2Å; V188-W256 HydrophobicContact CG1-CH2 3.69Å; V188-W256 HydrophobicContact CG1-CZ2 4.43Å; V188-W256 HydrophobicContact CG2-CH2 4.11Å; V188-I261 HydrophobicContact CG2-CD1 3.77Å
189K98.5Very high96.3Very high21 Ų2130 Ų309%0.09114%0.144CC..EExtended strand (participates in β ladder)trans-110.1139.1172.4-177.4-170.867.3153.20109.9S199 W203 I243 E244 K245K189-S199 WeakPolarHBondContact CG-O 3.45Å; K189-W203 HydrophobicContact CB-CD2 3.86Å; K189-W203 HydrophobicContact CB-CG 4Å; K189-W203 HydrophobicContact CB-CZ2 4.2Å; K189-W203 HydrophobicContact CD-CD2 4.04Å; K189-W203 HydrophobicContact CD-CE3 4Å; K189-W203 HydrophobicContact CD-CG 4.44Å; K189-W203 HydrophobicContact CD-CZ3 4.44Å; K189-I243 PolarHBondContact N-O 3.29Å; K189-E244 WeakPolarHBondContact CE-OE2 3.39Å; K189-E244 IonicContact NZ-OE2 3.58Å; K189-E244 PolarHBondContact NZ-OE2 3.26Å; K189-E244 WeakPolarHBondContact O-CA 3.46Å; K189-K245 PolarHBondContact O-N 3.24Å
190F98.2Very high96.2Very high0 Ų032.9 Ų32.90%016%0.157CC..EExtended strand (participates in β ladder)trans-96.4134172.5-61.8-87.3000110.7I98 V188 N192 D193 K245 E248 L250 F252I98-F190 HydrophobicContact CG2-CE2 3.99Å; I98-F190 HydrophobicContact CG2-CZ 3.83Å; V188-F190 HydrophobicContact CG1-CE2 4.4Å; V188-F190 HydrophobicContact CG1-CZ 4.25Å; F190-N192 VanDerWaalsContact C-N 3.35Å; F190-N192 PolarHBondContact O-N 3.28Å; F190-D193 HydrophobicContact CB-CB 4.04Å; F190-K245 VanDerWaalsContact CA-O 3.25Å; F190-K245 WeakPolarHBondContact CA-O 3.49Å; F190-K245 HydrophobicContact CD1-CB 3.97Å; F190-K245 HydrophobicContact CD1-CG 3.85Å; F190-K245 HydrophobicContact CE1-CB 3.99Å; F190-K245 HydrophobicContact CE1-CG 3.68Å; F190-E248 WeakPolarHBondContact CD1-O 3.12Å; F190-E248 WeakPolarHBondContact CG-O 3.44Å; F190-L250 HydrophobicContact CE2-CD2 3.97Å; F190-L250 VanDerWaalsContact CZ-CA 3.5Å; F190-L250 HydrophobicContact CZ-CD2 4.33Å; F190-F252 HydrophobicContact CE1-CB 4.5Å; F190-F252 HydrophobicContact CE1-CD1 4.06Å; F190-F252 AromaticContact CZ-CD1 3.74Å; F190-F252 HydrophobicContact CZ-CD1 3.74Å; F190-F252 HydrophobicContact CZ-CE1 4.34Å
191T95Very high96.3Very high48 Ų4831 Ų3129%0.29415%0.15SC..THydrogen-bonded Turntrans-72.1-26.6-171.955.30000114.2E244 K245 S246T191-E244 VanDerWaalsContact CG2-CD 3.43Å; T191-E244 HydrophobicContact CG2-CG 3.39Å; T191-K245 PolarHBondContact N-O 3.12Å; T191-K245 VanDerWaalsContact N-O 3.1Å; T191-S246 VanDerWaalsContact OG1-CA 3.31Å; T191-S246 WeakPolarHBondContact OG1-CA 3.29Å
192N92.4Very high96.4Very high102 Ų10224.3 Ų24.355%0.54512%0.12SC..THydrogen-bonded Turntrans-117.931.5-177.9-58.477.7000109.9F190 T194 G247F190-N192 VanDerWaalsContact C-N 3.35Å; F190-N192 PolarHBondContact O-N 3.28Å; N192-T194 WeakPolarHBondContact O-CG2 3.32Å; N192-T194 PolarHBondContact O-N 3.23Å; N192-G247 CarbonylContact C-O 3.57Å; N192-G247 WeakPolarHBondContact CA-O 3.24Å; N192-G247 WeakPolarHBondContact CB-O 3.37Å; N192-G247 PolarHBondContact N-O 2.99Å
193D93.8Very high96.4Very high10 Ų1026.7 Ų26.75%0.05313%0.129CC..  trans-65.4121.7-179.8-157.3-46.4000110.2F190 V195 V196 E248 H249F190-D193 HydrophobicContact CB-CB 4.04Å; D193-V195 WeakPolarHBondContact OD1-CA 3.36Å; D193-V195 PolarHBondContact OD1-N 2.81Å; D193-V196 PolarHBondContact OD1-N 3.06Å; D193-E248 WeakPolarHBondContact CA-OE2 3.27Å; D193-H249 IonicContact OD1-CG 2.88Å; D193-H249 IonicContact OD1-ND1 3.69Å; D193-H249 PolarHBondContact OD1-ND1 3.12Å; D193-H249 IonicContact OD2-CE1 3.98Å; D193-H249 IonicContact OD2-CG 3.64Å; D193-H249 IonicContact OD2-ND1 3.59Å; D193-H249 PolarHBondContact OD2-ND1 3.21Å
194T90.6Very high96.4Very high23 Ų2321 Ų2114%0.14111%0.108CC..SBendtrans-114.75.6-179.8650000111.8K110 N113 N192 E248K110-T194 PolarHBondContact N-O 3.13Å; N113-T194 VanDerWaalsContact ND2-CB 3.28Å; N113-T194 WeakPolarHBondContact ND2-CB 3.35Å; N113-T194 WeakPolarHBondContact ND2-CG2 3.44Å; N113-T194 PolarHBondContact ND2-OG1 3.48Å; N192-T194 WeakPolarHBondContact O-CG2 3.32Å; N192-T194 PolarHBondContact O-N 3.23Å; T194-E248 PolarHBondContact N-OE2 3.48Å; T194-E248 PolarHBondContact OG1-OE1 3.25Å; T194-E248 VanDerWaalsContact OG1-OE1 3.06Å; T194-E248 PolarHBondContact OG1-OE2 3.05Å
195V91.4Very high96.4Very high33 Ų3319 Ų1920%0.210%0.101CC..SBendtrans-101.6-47.7178178.10000110.2P109 D193 H249P109-V195 HydrophobicContact CB-CB 4.46Å; P109-V195 HydrophobicContact CB-CG1 4.17Å; P109-V195 HydrophobicContact CG-CG1 4.24Å; D193-V195 WeakPolarHBondContact OD1-CA 3.36Å; D193-V195 PolarHBondContact OD1-N 2.81Å; V195-H249 HydrophobicContact CB-CB 3.82Å; V195-H249 HydrophobicContact CG2-CB 3.64Å
196V94.1Very high96.4Very high2 Ų219.5 Ų19.51%0.01210%0.103CC..SBendtrans-90.9106.4176.3-179.50000108.7L101 I105 D193 P198 S199 H249L101-V196 HydrophobicContact CB-CG1 4.14Å; I105-V196 HydrophobicContact CG2-CG1 4.3Å; D193-V196 PolarHBondContact OD1-N 3.06Å; V196-P198 CarbonylContact O-C 3.52Å; V196-S199 VanDerWaalsContact O-CA 3.27Å; V196-S199 WeakPolarHBondContact O-CA 3.14Å; V196-S199 PolarHBondContact O-N 3.28Å; V196-H249 VanDerWaalsContact CG2-CE1 3.47Å; V196-H249 WeakPolarHBondContact CG2-CE1 3.3Å
197L93.6Very high96.4Very high23 Ų2321.1 Ų21.112%0.1211%0.109CC..SBendtrans-117.5115.5-176.5-62177.6000109.9I105 F106 I112I105-L197 CarbonylContact C-O 3.33Å; I105-L197 WeakPolarHBondContact CA-O 3.16Å; F106-L197 PolarHBondContact N-O 2.98Å; I112-L197 HydrophobicContact CD1-CD1 4.49Å
198P95.7Very high96.3Very high4 Ų428 Ų283%0.02614%0.135CC..SBendcis-75.3152.6-3.832-29.4000112V196 E200 S201 F206 Y207 I215V196-P198 CarbonylContact O-C 3.52Å; P198-E200 PolarHBondContact O-N 2.86Å; P198-E200 VanDerWaalsContact O-N 3.11Å; P198-S201 WeakPolarHBondContact O-CB 3.47Å; P198-S201 PolarHBondContact O-N 2.89Å; P198-F206 HydrophobicContact CG-CD2 3.79Å; P198-F206 HydrophobicContact CG-CE2 4.07Å; P198-F206 HydrophobicContact CG-CG 4.46Å; P198-Y207 HydrophobicContact CB-CD1 4.4Å; P198-Y207 HydrophobicContact CB-CE1 3.84Å; P198-Y207 HydrophobicContact CB-CE2 4.1Å; P198-Y207 VanDerWaalsContact CD-CE2 3.45Å; P198-Y207 HydrophobicContact CG-CD1 4.3Å; P198-Y207 HydrophobicContact CG-CD2 3.98Å; P198-Y207 HydrophobicContact CG-CE1 4.16Å; P198-Y207 HydrophobicContact CG-CE2 3.87Å; P198-Y207 HydrophobicContact CG-CG 4.19Å; P198-I215 HydrophobicContact CB-CD1 3.52Å; P198-I215 HydrophobicContact CG-CD1 3.87Å
199S96.2Very high96.2Very high19 Ų1932.3 Ų32.313%0.13316%0.162CC..G310 helixtrans-57.7-29.5179.872.90000112.4K189 V196 S201 S202K189-S199 WeakPolarHBondContact CG-O 3.45Å; V196-S199 VanDerWaalsContact O-CA 3.27Å; V196-S199 WeakPolarHBondContact O-CA 3.14Å; V196-S199 PolarHBondContact O-N 3.28Å; S199-S201 PolarHBondContact O-N 2.77Å; S199-S201 VanDerWaalsContact O-N 3.12Å; S199-S202 WeakPolarHBondContact O-CB 3.48Å; S199-S202 PolarHBondContact O-N 3.32Å
200E97.7Very high96Very high59 Ų5933.7 Ų33.728%0.27618%0.182SC..G310 helixtrans-63.2-17.4178.6-69.187.1167.900113.1P198 S202 W203 F204 G205 I215P198-E200 PolarHBondContact O-N 2.86Å; P198-E200 VanDerWaalsContact O-N 3.11Å; E200-S202 PolarHBondContact O-N 3.39Å; E200-W203 CarbonylContact O-C 3.17Å; E200-W203 WeakPolarHBondContact O-CA 3.03Å; E200-W203 PolarHBondContact O-N 2.84Å; E200-F204 PolarHBondContact O-N 3.03Å; E200-G205 CarbonylContact C-O 3.58Å; E200-G205 VanDerWaalsContact C-O 3.24Å; E200-G205 WeakPolarHBondContact O-CA 3.45Å; E200-G205 PolarHBondContact O-N 2.99Å; E200-I215 HydrophobicContact CB-CG2 3.93Å; E200-I215 HydrophobicContact CG-CG2 3.85Å
201S98.4Very high95.8Very high0 Ų034.4 Ų34.40%019%0.187CC..G310 helixtrans-55.6-30.9170.3-174.60000112L101 Q102 Q103 G104 P198 S199 W203 F204 G205L101-S201 VanDerWaalsContact C-OG 3.23Å; L101-S201 WeakPolarHBondContact CA-OG 3.12Å; Q102-S201 WeakPolarHBondContact CA-O 3.42Å; Q102-S201 VanDerWaalsContact CB-O 3.25Å; Q102-S201 WeakPolarHBondContact CB-O 3.44Å; Q102-S201 PolarHBondContact N-O 3.41Å; Q102-S201 PolarHBondContact N-OG 3.4Å; Q103-S201 PolarHBondContact N-OG 3.31Å; G104-S201 PolarHBondContact N-OG 3.24Å; G104-S201 VanDerWaalsContact O-CB 3.29Å; G104-S201 WeakPolarHBondContact O-CB 3.45Å; G104-S201 PolarHBondContact O-OG 3.08Å; P198-S201 WeakPolarHBondContact O-CB 3.47Å; P198-S201 PolarHBondContact O-N 2.89Å; S199-S201 PolarHBondContact O-N 2.77Å; S199-S201 VanDerWaalsContact O-N 3.12Å; S201-W203 PolarHBondContact O-N 3.06Å; S201-F204 PolarHBondContact O-N 3.5Å; S201-F204 VanDerWaalsContact O-N 3.16Å; S201-G205 WeakPolarHBondContact CA-O 3.25Å; S201-G205 PolarHBondContact N-O 3.11Å; S201-G205 VanDerWaalsContact N-O 3.13Å
202S98.5Very high95.6Very high0 Ų034 Ų340%019%0.186CC..G310 helixtrans-63.1-21.7172.9-63.20000114.6G100 L187 S199 E200G100-S202 WeakPolarHBondContact O-CA 3.42Å; G100-S202 VanDerWaalsContact O-CB 3.28Å; G100-S202 WeakPolarHBondContact O-CB 3.37Å; G100-S202 PolarHBondContact O-N 3.25Å; G100-S202 PolarHBondContact O-OG 3.07Å; L187-S202 WeakPolarHBondContact CB-O 3.06Å; S199-S202 WeakPolarHBondContact O-CB 3.48Å; S199-S202 PolarHBondContact O-N 3.32Å; E200-S202 PolarHBondContact O-N 3.39Å
203W98.6Very high95.5Very high52 Ų5233.2 Ų33.220%0.19719%0.188CC..G310 helixtrans-114.926.9176.2-74.9-8.5000112.7L187 K189 E200 S201 G205 L218 L242 I243 E244L187-W203 PolarHBondContact O-NE1 3.14Å; K189-W203 HydrophobicContact CB-CD2 3.86Å; K189-W203 HydrophobicContact CB-CG 4Å; K189-W203 HydrophobicContact CB-CZ2 4.2Å; K189-W203 HydrophobicContact CD-CD2 4.04Å; K189-W203 HydrophobicContact CD-CE3 4Å; K189-W203 HydrophobicContact CD-CG 4.44Å; K189-W203 HydrophobicContact CD-CZ3 4.44Å; E200-W203 CarbonylContact O-C 3.17Å; E200-W203 WeakPolarHBondContact O-CA 3.03Å; E200-W203 PolarHBondContact O-N 2.84Å; S201-W203 PolarHBondContact O-N 3.06Å; W203-G205 PolarHBondContact O-N 3.48Å; W203-G205 VanDerWaalsContact O-N 3.09Å; W203-L218 WeakPolarHBondContact O-CB 3.48Å; W203-L242 HydrophobicContact CB-CD2 4.26Å; W203-L242 HydrophobicContact CD2-CB 4.04Å; W203-L242 HydrophobicContact CD2-CD2 4.48Å; W203-L242 HydrophobicContact CG-CB 4.39Å; W203-L242 HydrophobicContact CG-CD2 3.99Å; W203-L242 HydrophobicContact CH2-CB 4.43Å; W203-L242 HydrophobicContact CZ2-CB 3.87Å; W203-I243 WeakPolarHBondContact CZ2-O 3.23Å; W203-I243 PolarHBondContact NE1-O 2.88Å; W203-E244 HydrophobicContact CH2-CB 3.78Å; W203-E244 HydrophobicContact CH2-CG 4.34Å; W203-E244 HydrophobicContact CZ2-CB 3.79Å
204F98.7Very high95.6Very high1 Ų137.9 Ų37.90%0.00421%0.21CC..THydrogen-bonded Turntrans60.310.9-176.6-78.8-86.1000116R81 Q102 Q103 L185 L187 E200 S201 L218 L223 L229 L231R81-F204 VanDerWaalsContact CD-CZ 3.46Å; Q102-F204 HydrophobicContact CB-CD1 3.7Å; Q102-F204 HydrophobicContact CB-CD2 3.75Å; Q102-F204 HydrophobicContact CB-CE1 3.79Å; Q102-F204 HydrophobicContact CB-CE2 3.82Å; Q102-F204 HydrophobicContact CB-CG 3.7Å; Q102-F204 HydrophobicContact CB-CZ 3.86Å; Q102-F204 HydrophobicContact CG-CD2 4.01Å; Q102-F204 HydrophobicContact CG-CE2 3.9Å; Q102-F204 HydrophobicContact CG-CG 4.46Å; Q102-F204 HydrophobicContact CG-CZ 4.27Å; Q103-F204 HydrophobicContact CG-CB 4.4Å; Q103-F204 HydrophobicContact CG-CD1 4.26Å; Q103-F204 VanDerWaalsContact CG-O 3.29Å; Q103-F204 WeakPolarHBondContact CG-O 3.43Å; Q103-F204 PolarHBondContact NE2-O 3.33Å; L185-F204 HydrophobicContact CD2-CE2 4.25Å; L187-F204 HydrophobicContact CD1-CD2 3.66Å; L187-F204 HydrophobicContact CD1-CE2 4Å; E200-F204 PolarHBondContact O-N 3.03Å; S201-F204 PolarHBondContact O-N 3.5Å; S201-F204 VanDerWaalsContact O-N 3.16Å; F204-L218 HydrophobicContact CB-CB 4.03Å; F204-L218 HydrophobicContact CB-CD1 3.63Å; F204-L218 HydrophobicContact CB-CD2 4.27Å; F204-L218 HydrophobicContact CB-CG 4.17Å; F204-L218 HydrophobicContact CG-CD1 4.29Å; F204-L223 HydrophobicContact CD1-CD2 3.64Å; F204-L223 HydrophobicContact CE1-CD2 3.9Å; F204-L229 HydrophobicContact CE1-CD1 4.16Å; F204-L229 HydrophobicContact CZ-CD1 4.46Å; F204-L231 HydrophobicContact CD1-CD1 4.06Å; F204-L231 HydrophobicContact CD2-CD1 4.13Å; F204-L231 HydrophobicContact CE1-CD1 3.97Å; F204-L231 HydrophobicContact CE2-CD1 4.05Å; F204-L231 HydrophobicContact CE2-CD2 4.05Å; F204-L231 HydrophobicContact CG-CD1 4.12Å; F204-L231 HydrophobicContact CZ-CD1 3.93Å; F204-L231 HydrophobicContact CZ-CD2 4.27Å
205G98.5Very high96Very high2 Ų239.4 Ų39.42%0.02122%0.216CC..  trans-78157.1165.400000110.5E200 S201 W203 V216E200-G205 CarbonylContact C-O 3.58Å; E200-G205 VanDerWaalsContact C-O 3.24Å; E200-G205 WeakPolarHBondContact O-CA 3.45Å; E200-G205 PolarHBondContact O-N 2.99Å; S201-G205 WeakPolarHBondContact CA-O 3.25Å; S201-G205 PolarHBondContact N-O 3.11Å; S201-G205 VanDerWaalsContact N-O 3.13Å; W203-G205 PolarHBondContact O-N 3.48Å; W203-G205 VanDerWaalsContact O-N 3.09Å; G205-V216 CarbonylContact C-O 3.36Å; G205-V216 WeakPolarHBondContact CA-O 3.25Å
206F98.5Very high96.3Very high11 Ų1139.5 Ų39.55%0.04822%0.217CC..EExtended strand (participates in β ladder)trans-154.8175.4175.8-154.9-114.1000111.5Q103 F106 H147 P149 P198 I215 V216Q103-F206 HydrophobicContact CB-CB 3.78Å; Q103-F206 HydrophobicContact CB-CD2 3.54Å; Q103-F206 HydrophobicContact CB-CE2 4.37Å; Q103-F206 HydrophobicContact CB-CG 3.82Å; Q103-F206 HydrophobicContact CG-CB 4.08Å; Q103-F206 WeakPolarHBondContact O-CD2 3.4Å; Q103-F206 VanDerWaalsContact O-CE2 3.31Å; Q103-F206 WeakPolarHBondContact O-CE2 3.36Å; F106-F206 HydrophobicContact CB-CZ 4Å; H147-F206 HydrophobicContact CB-CE1 3.83Å; H147-F206 HydrophobicContact CB-CE2 4.35Å; H147-F206 HydrophobicContact CB-CZ 3.58Å; H147-F206 AromaticContact CD2-CE1 3.69Å; H147-F206 AromaticContact CE1-CD1 3.51Å; H147-F206 AromaticContact CE1-CE1 3.69Å; H147-F206 AromaticContact CG-CD1 3.97Å; H147-F206 AromaticContact CG-CE1 3.33Å; H147-F206 AromaticContact CG-CZ 3.61Å; H147-F206 AromaticContact ND1-CD1 3.48Å; H147-F206 WeakPolarHBondContact ND1-CD1 3.05Å; H147-F206 AromaticContact ND1-CE1 3.32Å; H147-F206 VanDerWaalsContact ND1-CE1 3.32Å; H147-F206 WeakPolarHBondContact ND1-CE1 3.26Å; H147-F206 AromaticContact ND1-CG 3.99Å; H147-F206 AromaticContact ND1-CZ 3.69Å; H147-F206 AromaticContact NE2-CD1 3.99Å; H147-F206 AromaticContact NE2-CE1 3.9Å; H147-F206 WeakPolarHBondContact O-CE1 3.45Å; H147-F206 VanDerWaalsContact O-CZ 3.24Å; H147-F206 WeakPolarHBondContact O-CZ 3.32Å; P149-F206 HydrophobicContact CB-CE1 4.49Å; P198-F206 HydrophobicContact CG-CD2 3.79Å; P198-F206 HydrophobicContact CG-CE2 4.07Å; P198-F206 HydrophobicContact CG-CG 4.46Å; F206-I215 CarbonylContact O-C 3.57Å; F206-I215 WeakPolarHBondContact O-CA 3.19Å; F206-V216 PolarHBondContact N-O 3.28Å; F206-V216 PolarHBondContact O-N 3.13Å
207Y97.7Very high96.5Very high34 Ų3446.4 Ų46.413%0.13325%0.247CC..EExtended strand (participates in β ladder)trans-63.1144.2170.7-63.5-57000111.4F106 P149 P198 S211 S212 H214 I215F106-Y207 HydrophobicContact CB-CD2 4.12Å; F106-Y207 HydrophobicContact CB-CE2 4.07Å; F106-Y207 HydrophobicContact CD1-CD2 4.22Å; F106-Y207 HydrophobicContact CD1-CE2 4.13Å; P149-Y207 HydrophobicContact CG-CD2 4.14Å; P149-Y207 HydrophobicContact CG-CG 4.43Å; P198-Y207 HydrophobicContact CB-CD1 4.4Å; P198-Y207 HydrophobicContact CB-CE1 3.84Å; P198-Y207 HydrophobicContact CB-CE2 4.1Å; P198-Y207 VanDerWaalsContact CD-CE2 3.45Å; P198-Y207 HydrophobicContact CG-CD1 4.3Å; P198-Y207 HydrophobicContact CG-CD2 3.98Å; P198-Y207 HydrophobicContact CG-CE1 4.16Å; P198-Y207 HydrophobicContact CG-CE2 3.87Å; P198-Y207 HydrophobicContact CG-CG 4.19Å; Y207-S211 VanDerWaalsContact CB-O 3.25Å; Y207-S211 WeakPolarHBondContact CB-O 3.43Å; Y207-S212 WeakPolarHBondContact CE1-O 3.34Å; Y207-H214 CarbonylContact C-O 3.56Å; Y207-H214 WeakPolarHBondContact CA-O 3.02Å; Y207-I215 HydrophobicContact CD1-CD1 3.52Å; Y207-I215 HydrophobicContact CE1-CD1 3.68Å; Y207-I215 HydrophobicContact CG-CD1 4.41Å
208R97.2Very high96.7Very high143 Ų14345.7 Ų45.754%0.5424%0.243SC..  trans-65.2141.3169-177.3177.6-77164.9-4.6109.2G210 S211 H214 V216R208-G210 PolarHBondContact O-N 2.65Å; R208-S211 WeakPolarHBondContact O-CB 3.47Å; R208-S211 PolarHBondContact O-N 3.45Å; R208-H214 HydrophobicContact CB-CB 4.2Å; R208-H214 PolarHBondContact N-O 3.33Å; R208-V216 HydrophobicContact CB-CG2 3.8Å; R208-V216 HydrophobicContact CG-CG2 4.22Å
209T96.5Very high96.8Very high91 Ų9152 Ų5256%0.55827%0.266SS*.THydrogen-bonded Turntrans-45.8128.4170.9-55.90000111.6P149 E152 S211P149-T209 CarbonylContact O-C 3.55Å; E152-T209 HydrophobicContact CB-CG2 4.36Å; E152-T209 HydrophobicContact CG-CG2 3.63Å; T209-S211 VanDerWaalsContact C-N 3.35Å
210G95.1Very high96.9Very high50 Ų5056.4 Ų56.452%0.51529%0.289SS..THydrogen-bonded Turntrans78.910.3-177.700000115P149 F150 R208P149-G210 PolarHBondContact O-N 3.24Å; F150-G210 VanDerWaalsContact CE1-C 3.46Å; F150-G210 WeakPolarHBondContact CE1-O 3.46Å; R208-G210 PolarHBondContact O-N 2.65Å
211S93.6Very high96.9Very high15 Ų1554.3 Ų54.311%0.10528%0.281CS..  trans-136.5152.8179.4-170.30000111.5P149 Y207 R208 T209 S213 H214P149-S211 VanDerWaalsContact CB-O 3.31Å; P149-S211 WeakPolarHBondContact CB-O 3.37Å; P149-S211 WeakPolarHBondContact CG-O 3.31Å; Y207-S211 VanDerWaalsContact CB-O 3.25Å; Y207-S211 WeakPolarHBondContact CB-O 3.43Å; R208-S211 WeakPolarHBondContact O-CB 3.47Å; R208-S211 PolarHBondContact O-N 3.45Å; T209-S211 VanDerWaalsContact C-N 3.35Å; S211-S213 PolarHBondContact OG-N 3.14Å; S211-S213 PolarHBondContact OG-OG 2.99Å; S211-H214 PolarHBondContact OG-N 3.35Å; S211-H214 VanDerWaalsContact OG-N 3.16Å; S211-H214 PolarHBondContact OG-ND1 3.32Å; S211-H214 VanDerWaalsContact OG-ND1 3.1Å
212S90.7Very high96.9Very high39 Ų3957.9 Ų57.927%0.27330%0.302SS..SBendtrans-121.423.5167.364.50000112Y207Y207-S212 WeakPolarHBondContact CE1-O 3.34Å
213S90.7Very high96.8Very high86 Ų8658.5 Ų58.560%0.60131%0.305SS*.SBendtrans-137.4-29.5-178.558.70000113.5S211S211-S213 PolarHBondContact OG-N 3.14Å; S211-S213 PolarHBondContact OG-OG 2.99Å
214H95.9Very high96.8Very high109 Ų10957.2 Ų57.251%0.50530%0.301SS..PPolyproline II helixtrans-89121.4177.1-64.982.1000110.2Y207 R208 S211Y207-H214 CarbonylContact C-O 3.56Å; Y207-H214 WeakPolarHBondContact CA-O 3.02Å; R208-H214 HydrophobicContact CB-CB 4.2Å; R208-H214 PolarHBondContact N-O 3.33Å; S211-H214 PolarHBondContact OG-N 3.35Å; S211-H214 VanDerWaalsContact OG-N 3.16Å; S211-H214 PolarHBondContact OG-ND1 3.32Å; S211-H214 VanDerWaalsContact OG-ND1 3.1Å
215I98Very high96.8Very high54 Ų5461 Ų6128%0.27732%0.324SS..EExtended strand (participates in β ladder)trans-94.3132.2179.3-59.2-64.2000110.9P198 E200 F206 Y207P198-I215 HydrophobicContact CB-CD1 3.52Å; P198-I215 HydrophobicContact CG-CD1 3.87Å; E200-I215 HydrophobicContact CB-CG2 3.93Å; E200-I215 HydrophobicContact CG-CG2 3.85Å; F206-I215 CarbonylContact O-C 3.57Å; F206-I215 WeakPolarHBondContact O-CA 3.19Å; Y207-I215 HydrophobicContact CD1-CD1 3.52Å; Y207-I215 HydrophobicContact CE1-CD1 3.68Å; Y207-I215 HydrophobicContact CG-CD1 4.41Å
216V98.3Very high96.8Very high35 Ų3566.3 Ų66.321%0.21235%0.348CS..EExtended strand (participates in β ladder)trans-96.1119.8163.2-177.10000107.5G205 F206 R208 D220G205-V216 CarbonylContact C-O 3.36Å; G205-V216 WeakPolarHBondContact CA-O 3.25Å; F206-V216 PolarHBondContact N-O 3.28Å; F206-V216 PolarHBondContact O-N 3.13Å; R208-V216 HydrophobicContact CB-CG2 3.8Å; R208-V216 HydrophobicContact CG-CG2 4.22Å; V216-D220 HydrophobicContact CG1-CB 4.05Å
217K98.4Very high96.8Very high147 Ų14766.1 Ų66.164%0.63935%0.348SS*.PPolyproline II helixtrans-74.4158.6177.3-60.9177.5-178.2175.40109.8R219 D220 S221K217-R219 VanDerWaalsContact C-N 3.3Å; K217-R219 PolarHBondContact O-N 3.46Å; K217-D220 PolarHBondContact O-N 3.12Å; K217-S221 PolarHBondContact O-N 3.37Å
218L98.3Very high96.8Very high8 Ų866.8 Ų66.84%0.04235%0.35CS..G310 helixtrans-45.9-52.3178166.161.6000112.7W203 F204 D220 S221 Y224 L231 L240W203-L218 WeakPolarHBondContact O-CB 3.48Å; F204-L218 HydrophobicContact CB-CB 4.03Å; F204-L218 HydrophobicContact CB-CD1 3.63Å; F204-L218 HydrophobicContact CB-CD2 4.27Å; F204-L218 HydrophobicContact CB-CG 4.17Å; F204-L218 HydrophobicContact CG-CD1 4.29Å; L218-D220 PolarHBondContact O-N 2.87Å; L218-S221 WeakPolarHBondContact O-CB 2.98Å; L218-S221 PolarHBondContact O-N 3.3Å; L218-S221 PolarHBondContact O-OG 3.38Å; L218-Y224 HydrophobicContact CD1-CD2 3.88Å; L218-Y224 HydrophobicContact CD1-CG 4.29Å; L218-Y224 HydrophobicContact CD2-CD2 4.33Å; L218-Y224 HydrophobicContact CG-CD2 3.85Å; L218-Y224 HydrophobicContact CG-CG 4.4Å; L218-Y224 WeakPolarHBondContact O-CB 3.45Å; L218-L231 HydrophobicContact CD1-CD1 3.7Å; L218-L240 HydrophobicContact CD2-CD2 3.76Å
219R98.3Very high96.9Very high136 Ų13660 Ų6051%0.51332%0.324SS..G310 helixtrans-67-19.3-174.2-67.1-177.8176.6142.9-0.9114.1K217 Y224 D235K217-R219 VanDerWaalsContact C-N 3.3Å; K217-R219 PolarHBondContact O-N 3.46Å; R219-Y224 HydrophobicContact CB-CD1 4.33Å; R219-Y224 HydrophobicContact CB-CE1 4.28Å; R219-Y224 HydrophobicContact CG-CD1 4.47Å; R219-Y224 HydrophobicContact CG-CE1 4.13Å; R219-Y224 HydrophobicContact CG-CE2 4.16Å; R219-D235 IonicContact CZ-OD1 3.72Å; R219-D235 IonicContact CZ-OD2 2.73Å; R219-D235 IonicContact NE-OD2 2.98Å; R219-D235 PolarHBondContact NE-OD2 2.95Å; R219-D235 IonicContact NH2-OD1 2.62Å; R219-D235 PolarHBondContact NH2-OD1 3.05Å; R219-D235 IonicContact NH2-OD2 3.78Å; R219-D235 PolarHBondContact NH2-OD2 2.78Å
220D98.2Very high97Very high113 Ų11355.6 Ų55.660%0.60430%0.298SS*.G310 helixtrans-96-5.2177.9-52.5-44.2000112.1V216 K217 L218V216-D220 HydrophobicContact CG1-CB 4.05Å; K217-D220 PolarHBondContact O-N 3.12Å; L218-D220 PolarHBondContact O-N 2.87Å
221S97.7Very high97.1Very high15 Ų1553.2 Ų53.211%0.10527%0.273CS..SBendtrans-82.7155.6-176.774.40000112.9K217 L218 L223 Y224 T225K217-S221 PolarHBondContact O-N 3.37Å; L218-S221 WeakPolarHBondContact O-CB 2.98Å; L218-S221 PolarHBondContact O-N 3.3Å; L218-S221 PolarHBondContact O-OG 3.38Å; S221-L223 VanDerWaalsContact C-N 3.27Å; S221-L223 PolarHBondContact O-N 2.92Å; S221-Y224 PolarHBondContact O-N 3.39Å; S221-Y224 PolarHBondContact OG-N 3.28Å; S221-T225 WeakPolarHBondContact O-CG2 3.29Å; S221-T225 PolarHBondContact O-N 3.46Å; S221-T225 PolarHBondContact O-OG1 2.82Å
222V97Very high97.4Very high74 Ų7454.7 Ų54.745%0.44828%0.278SS..Hα-helixtrans-59.8-39.1172.6178.50000111.4Y224 T225 E226 R228V222-Y224 PolarHBondContact O-N 3.04Å; V222-T225 WeakPolarHBondContact CA-OG1 3.48Å; V222-T225 PolarHBondContact O-N 2.94Å; V222-T225 PolarHBondContact O-OG1 3.14Å; V222-E226 VanDerWaalsContact CG1-CD 3.45Å; V222-E226 HydrophobicContact CG1-CG 4.06Å; V222-E226 WeakPolarHBondContact CG1-OE1 3.43Å; V222-E226 WeakPolarHBondContact O-CB 3.43Å; V222-E226 PolarHBondContact O-N 2.82Å; V222-R228 VanDerWaalsContact CG1-NH2 3.3Å
223L97.9Very high97.7Very high14 Ų1455.4 Ų55.47%0.07328%0.281CS..Hα-helixtrans-53.2-39.6176.5-178.563.5000112.8N166 F204 S221 D227 R228 L229 L231N166-L223 WeakPolarHBondContact O-CD1 3.06Å; F204-L223 HydrophobicContact CD1-CD2 3.64Å; F204-L223 HydrophobicContact CE1-CD2 3.9Å; S221-L223 VanDerWaalsContact C-N 3.27Å; S221-L223 PolarHBondContact O-N 2.92Å; L223-D227 PolarHBondContact O-N 3.13Å; L223-R228 HydrophobicContact CD1-CB 4.01Å; L223-R228 PolarHBondContact O-N 3.32Å; L223-R228 VanDerWaalsContact O-N 3.08Å; L223-L229 HydrophobicContact CD1-CB 4.12Å; L223-L229 HydrophobicContact CD1-CD1 3.68Å; L223-L229 HydrophobicContact CD1-CG 3.66Å; L223-L229 HydrophobicContact CD2-CD1 4.13Å; L223-L229 HydrophobicContact CG-CD1 4.33Å; L223-L231 HydrophobicContact CD2-CD1 3.94Å; L223-L231 HydrophobicContact CG-CD1 4.14Å
224Y98.6Very high98.1Very high24 Ų2451.3 Ų51.39%0.09425%0.252CS..Hα-helixtrans-88.6-43179.6-175.1-86.4000113.1L218 R219 S221 V222 D227 L231 Q232 D235L218-Y224 HydrophobicContact CD1-CD2 3.88Å; L218-Y224 HydrophobicContact CD1-CG 4.29Å; L218-Y224 HydrophobicContact CD2-CD2 4.33Å; L218-Y224 HydrophobicContact CG-CD2 3.85Å; L218-Y224 HydrophobicContact CG-CG 4.4Å; L218-Y224 WeakPolarHBondContact O-CB 3.45Å; R219-Y224 HydrophobicContact CB-CD1 4.33Å; R219-Y224 HydrophobicContact CB-CE1 4.28Å; R219-Y224 HydrophobicContact CG-CD1 4.47Å; R219-Y224 HydrophobicContact CG-CE1 4.13Å; R219-Y224 HydrophobicContact CG-CE2 4.16Å; S221-Y224 PolarHBondContact O-N 3.39Å; S221-Y224 PolarHBondContact OG-N 3.28Å; V222-Y224 PolarHBondContact O-N 3.04Å; Y224-D227 PolarHBondContact O-N 2.79Å; Y224-D227 VanDerWaalsContact O-N 3.11Å; Y224-L231 HydrophobicContact CD2-CB 4.2Å; Y224-Q232 HydrophobicContact CD1-CB 4.49Å; Y224-Q232 HydrophobicContact CD1-CG 4.46Å; Y224-Q232 HydrophobicContact CD2-CB 4.35Å; Y224-Q232 HydrophobicContact CE1-CB 4.21Å; Y224-Q232 HydrophobicContact CE1-CG 3.84Å; Y224-Q232 HydrophobicContact CE2-CB 4.1Å; Y224-Q232 HydrophobicContact CE2-CG 4.4Å; Y224-Q232 PolarHBondContact O-NE2 2.9Å; Y224-D235 HydrophobicContact CE2-CB 3.9Å; Y224-D235 WeakPolarHBondContact CE2-OD2 3.25Å; Y224-D235 PolarHBondContact OH-OD2 3.48Å
225T98.2Very high98.2Very high82 Ų8247.4 Ų47.450%0.50324%0.235SC..Hα-helixtrans-68.2-36.2-175.849.30000112.4S221 V222S221-T225 WeakPolarHBondContact O-CG2 3.29Å; S221-T225 PolarHBondContact O-N 3.46Å; S221-T225 PolarHBondContact O-OG1 2.82Å; V222-T225 WeakPolarHBondContact CA-OG1 3.48Å; V222-T225 PolarHBondContact O-N 2.94Å; V222-T225 PolarHBondContact O-OG1 3.14Å
226E98.2Very high98.2Very high112 Ų11252.1 Ų52.152%0.52325%0.254SS..THydrogen-bonded Turntrans-90.2-1.4171.1-62.2179.4-173.800113V222 R228V222-E226 VanDerWaalsContact CG1-CD 3.45Å; V222-E226 HydrophobicContact CG1-CG 4.06Å; V222-E226 WeakPolarHBondContact CG1-OE1 3.43Å; V222-E226 WeakPolarHBondContact O-CB 3.43Å; V222-E226 PolarHBondContact O-N 2.82Å; E226-R228 VanDerWaalsContact C-N 3.26Å; E226-R228 HydrophobicContact CB-CG 3.99Å; E226-R228 PolarHBondContact O-N 3.19Å; E226-R228 IonicContact OE1-NH2 3.35Å; E226-R228 IonicContact OE2-CZ 3.69Å; E226-R228 IonicContact OE2-NE 3.62Å; E226-R228 PolarHBondContact OE2-NE 3.49Å; E226-R228 IonicContact OE2-NH2 3.7Å; E226-R228 PolarHBondContact OE2-NH2 3.05Å
227D98.3Very high98.2Very high7 Ų755.9 Ų55.94%0.03726%0.264CS..THydrogen-bonded Turntrans51.738.4179.2-169.750.8000114.7R176 L223 Y224 L229 G230 L231 Q232 V233R176-D227 IonicContact CZ-OD2 3.97Å; R176-D227 PolarHBondContact NE-O 3.39Å; R176-D227 IonicContact NE-OD2 2.9Å; R176-D227 IonicContact NH2-OD2 3.17Å; R176-D227 PolarHBondContact NH2-OD2 2.83Å; L223-D227 PolarHBondContact O-N 3.13Å; Y224-D227 PolarHBondContact O-N 2.79Å; Y224-D227 VanDerWaalsContact O-N 3.11Å; D227-L229 PolarHBondContact O-N 2.8Å; D227-G230 PolarHBondContact O-N 2.72Å; D227-G230 WeakPolarHBondContact OD1-CA 3.29Å; D227-G230 PolarHBondContact OD1-N 2.86Å; D227-L231 PolarHBondContact OD1-N 2.97Å; D227-L231 VanDerWaalsContact OD1-N 3.09Å; D227-Q232 HydrophobicContact CB-CB 3.96Å; D227-Q232 VanDerWaalsContact OD1-CB 3.24Å; D227-Q232 WeakPolarHBondContact OD1-CB 3.4Å; D227-Q232 PolarHBondContact OD1-N 3.46Å; D227-V233 WeakPolarHBondContact OD2-CG2 3.45Å
228R98.5Very high98.2Very high48 Ų4850.8 Ų50.818%0.18125%0.253CS..THydrogen-bonded Turntrans-59.1-25.4-173.2-59.4-175175.2-169.10.5114.2Q167 E168 V171 V222 L223 E226Q167-R228 HydrophobicContact CB-CB 4.01Å; Q167-R228 HydrophobicContact CG-CB 4.44Å; Q167-R228 PolarHBondContact NE2-O 3.13Å; Q167-R228 VanDerWaalsContact NE2-O 3.17Å; Q167-R228 PolarHBondContact O-NH1 2.77Å; E168-R228 PolarHBondContact O-NH1 3.41Å; V171-R228 HydrophobicContact CG2-CB 4.11Å; V171-R228 HydrophobicContact CG2-CG 4.03Å; V222-R228 VanDerWaalsContact CG1-NH2 3.3Å; L223-R228 HydrophobicContact CD1-CB 4.01Å; L223-R228 PolarHBondContact O-N 3.32Å; L223-R228 VanDerWaalsContact O-N 3.08Å; E226-R228 VanDerWaalsContact C-N 3.26Å; E226-R228 HydrophobicContact CB-CG 3.99Å; E226-R228 PolarHBondContact O-N 3.19Å; E226-R228 IonicContact OE1-NH2 3.35Å; E226-R228 IonicContact OE2-CZ 3.69Å; E226-R228 IonicContact OE2-NE 3.62Å; E226-R228 PolarHBondContact OE2-NE 3.49Å; E226-R228 IonicContact OE2-NH2 3.7Å; E226-R228 PolarHBondContact OE2-NH2 3.05Å
229L98.3Very high98.2Very high0 Ų051.8 Ų51.80%026%0.258CS..THydrogen-bonded Turntrans-109.2-8.4177.8-81.4-178.9000114.6I165 Q167 L179 F204 L223 D227 L231I165-L229 WeakPolarHBondContact O-CD2 3.43Å; Q167-L229 HydrophobicContact CG-CD2 3.51Å; Q167-L229 HydrophobicContact CG-CG 3.94Å; L179-L229 HydrophobicContact CD2-CB 4.06Å; F204-L229 HydrophobicContact CE1-CD1 4.16Å; F204-L229 HydrophobicContact CZ-CD1 4.46Å; L223-L229 HydrophobicContact CD1-CB 4.12Å; L223-L229 HydrophobicContact CD1-CD1 3.68Å; L223-L229 HydrophobicContact CD1-CG 3.66Å; L223-L229 HydrophobicContact CD2-CD1 4.13Å; L223-L229 HydrophobicContact CG-CD1 4.33Å; D227-L229 PolarHBondContact O-N 2.8Å; L229-L231 HydrophobicContact CB-CD1 4.41Å; L229-L231 HydrophobicContact CB-CG 4.04Å; L229-L231 HydrophobicContact CD1-CD1 4.41Å
230G98.3Very high98.2Very high0 Ų046 Ų460%024%0.237CC..SBendtrans85.211.3-171.400000114.2D227 Q232 V233 L234D227-G230 PolarHBondContact O-N 2.72Å; D227-G230 WeakPolarHBondContact OD1-CA 3.29Å; D227-G230 PolarHBondContact OD1-N 2.86Å; G230-Q232 VanDerWaalsContact C-N 3.33Å; G230-Q232 PolarHBondContact O-N 3.41Å; G230-V233 WeakPolarHBondContact O-CB 3.08Å; G230-V233 PolarHBondContact O-N 3.34Å; G230-L234 PolarHBondContact O-N 3.4Å
231L98.7Very high98.2Very high0 Ų043.5 Ų43.50%022%0.22CC..Hα-helixtrans-65-35.2179.4-69.8177.2000112.4L179 L185 F204 L218 L223 Y224 D227 L229 V233 L234 D235L179-L231 HydrophobicContact CD2-CD2 4.13Å; L185-L231 HydrophobicContact CD2-CD2 3.81Å; F204-L231 HydrophobicContact CD1-CD1 4.06Å; F204-L231 HydrophobicContact CD2-CD1 4.13Å; F204-L231 HydrophobicContact CE1-CD1 3.97Å; F204-L231 HydrophobicContact CE2-CD1 4.05Å; F204-L231 HydrophobicContact CE2-CD2 4.05Å; F204-L231 HydrophobicContact CG-CD1 4.12Å; F204-L231 HydrophobicContact CZ-CD1 3.93Å; F204-L231 HydrophobicContact CZ-CD2 4.27Å; L218-L231 HydrophobicContact CD1-CD1 3.7Å; L223-L231 HydrophobicContact CD2-CD1 3.94Å; L223-L231 HydrophobicContact CG-CD1 4.14Å; Y224-L231 HydrophobicContact CD2-CB 4.2Å; D227-L231 PolarHBondContact OD1-N 2.97Å; D227-L231 VanDerWaalsContact OD1-N 3.09Å; L229-L231 HydrophobicContact CB-CD1 4.41Å; L229-L231 HydrophobicContact CB-CG 4.04Å; L229-L231 HydrophobicContact CD1-CD1 4.41Å; L231-V233 VanDerWaalsContact C-N 3.32Å; L231-L234 PolarHBondContact O-N 3.4Å; L231-D235 WeakPolarHBondContact O-CB 3.05Å; L231-D235 PolarHBondContact O-N 2.94Å
232Q98.4Very high98.3Very high45 Ų4545.8 Ų45.821%0.2123%0.23CC..Hα-helixtrans-67.8-37.4176.4-170.6-170.492.700110.5Y224 D227 G230 D235 K236Y224-Q232 HydrophobicContact CD1-CB 4.49Å; Y224-Q232 HydrophobicContact CD1-CG 4.46Å; Y224-Q232 HydrophobicContact CD2-CB 4.35Å; Y224-Q232 HydrophobicContact CE1-CB 4.21Å; Y224-Q232 HydrophobicContact CE1-CG 3.84Å; Y224-Q232 HydrophobicContact CE2-CB 4.1Å; Y224-Q232 HydrophobicContact CE2-CG 4.4Å; Y224-Q232 PolarHBondContact O-NE2 2.9Å; D227-Q232 HydrophobicContact CB-CB 3.96Å; D227-Q232 VanDerWaalsContact OD1-CB 3.24Å; D227-Q232 WeakPolarHBondContact OD1-CB 3.4Å; D227-Q232 PolarHBondContact OD1-N 3.46Å; G230-Q232 VanDerWaalsContact C-N 3.33Å; G230-Q232 PolarHBondContact O-N 3.41Å; Q232-D235 PolarHBondContact O-N 3.17Å; Q232-K236 HydrophobicContact CG-CD 4.08Å; Q232-K236 WeakPolarHBondContact O-CB 3.32Å; Q232-K236 VanDerWaalsContact O-CG 3.29Å; Q232-K236 WeakPolarHBondContact O-CG 3.39Å; Q232-K236 PolarHBondContact O-N 3.31Å
233V98.4Very high98.3Very high54 Ų5443.1 Ų43.133%0.32721%0.214SC..Hα-helixtrans-63.7-47174.7174.70000110.9K180 D227 G230 L231 D235 K236 R237K180-V233 HydrophobicContact CD-CB 4.04Å; K180-V233 HydrophobicContact CD-CG1 4.09Å; K180-V233 HydrophobicContact CD-CG2 3.98Å; K180-V233 HydrophobicContact CG-CB 4.23Å; K180-V233 HydrophobicContact CG-CG1 4.29Å; D227-V233 WeakPolarHBondContact OD2-CG2 3.45Å; G230-V233 WeakPolarHBondContact O-CB 3.08Å; G230-V233 PolarHBondContact O-N 3.34Å; L231-V233 VanDerWaalsContact C-N 3.32Å; V233-D235 PolarHBondContact O-N 2.88Å; V233-K236 PolarHBondContact O-N 3.09Å; V233-R237 VanDerWaalsContact O-CB 3.32Å; V233-R237 WeakPolarHBondContact O-CB 3.29Å; V233-R237 PolarHBondContact O-N 3.37Å
234L98.3Very high98.3Very high0 Ų047.4 Ų47.40%023%0.233CC..Hα-helixtrans-61.4-42.8176.6-71.3173.1000112.5L179 I182 L185 G230 L231 R237 G238 D239 L240L179-L234 HydrophobicContact CG-CD1 4.25Å; I182-L234 HydrophobicContact CD1-CD1 4.04Å; I182-L234 HydrophobicContact CG1-CD1 4.4Å; I182-L234 HydrophobicContact CG1-CD2 4.13Å; L185-L234 HydrophobicContact CB-CD1 4.36Å; L185-L234 HydrophobicContact CD2-CD1 4.46Å; G230-L234 PolarHBondContact O-N 3.4Å; L231-L234 PolarHBondContact O-N 3.4Å; L234-R237 PolarHBondContact O-N 3.45Å; L234-G238 PolarHBondContact O-N 3.3Å; L234-D239 HydrophobicContact CD2-CB 4.35Å; L234-D239 PolarHBondContact O-N 2.03Å; L234-L240 HydrophobicContact CB-CB 4.33Å; L234-L240 PolarHBondContact O-N 2.91Å
235D98.5Very high98.3Very high27 Ų2748 Ų4814%0.14424%0.236CC..Hα-helixtrans-62.9-49.4177.5-164.116.7000111.1R219 Y224 L231 Q232 V233 R237 G238 L240R219-D235 IonicContact CZ-OD1 3.72Å; R219-D235 IonicContact CZ-OD2 2.73Å; R219-D235 IonicContact NE-OD2 2.98Å; R219-D235 PolarHBondContact NE-OD2 2.95Å; R219-D235 IonicContact NH2-OD1 2.62Å; R219-D235 PolarHBondContact NH2-OD1 3.05Å; R219-D235 IonicContact NH2-OD2 3.78Å; R219-D235 PolarHBondContact NH2-OD2 2.78Å; Y224-D235 HydrophobicContact CE2-CB 3.9Å; Y224-D235 WeakPolarHBondContact CE2-OD2 3.25Å; Y224-D235 PolarHBondContact OH-OD2 3.48Å; L231-D235 WeakPolarHBondContact O-CB 3.05Å; L231-D235 PolarHBondContact O-N 2.94Å; Q232-D235 PolarHBondContact O-N 3.17Å; V233-D235 PolarHBondContact O-N 2.88Å; D235-R237 VanDerWaalsContact C-N 3.28Å; D235-R237 PolarHBondContact O-N 2.98Å; D235-G238 PolarHBondContact O-N 3Å; D235-L240 HydrophobicContact CB-CB 4.17Å; D235-L240 HydrophobicContact CB-CD2 3.88Å
236K98.3Very high98.2Very high153 Ų15348.1 Ų48.167%0.66524%0.241SC*.Hα-helixtrans-63.2-31.2177.7-73.8174.2175.9173.30113.3Q232 V233 G238Q232-K236 HydrophobicContact CG-CD 4.08Å; Q232-K236 WeakPolarHBondContact O-CB 3.32Å; Q232-K236 VanDerWaalsContact O-CG 3.29Å; Q232-K236 WeakPolarHBondContact O-CG 3.39Å; Q232-K236 PolarHBondContact O-N 3.31Å; V233-K236 PolarHBondContact O-N 3.09Å; K236-G238 PolarHBondContact O-N 3.13Å
237R97.6Very high98.1Very high115 Ų11543.4 Ų43.443%0.43422%0.222SC..THydrogen-bonded Turntrans-76.3-11.1175.6-160.6172.573.3-1651.9112.9K180 I182 R183 V233 L234 D235 D239K180-R237 PolarHBondContact O-NH1 3.5Å; I182-R237 PolarHBondContact O-NH2 3.18Å; R183-R237 PolarHBondContact O-NH2 2.99Å; V233-R237 VanDerWaalsContact O-CB 3.32Å; V233-R237 WeakPolarHBondContact O-CB 3.29Å; V233-R237 PolarHBondContact O-N 3.37Å; L234-R237 PolarHBondContact O-N 3.45Å; D235-R237 VanDerWaalsContact C-N 3.28Å; D235-R237 PolarHBondContact O-N 2.98Å; R237-D239 IonicContact CZ-OD2 2.76Å; R237-D239 IonicContact NE-OD2 2.76Å; R237-D239 PolarHBondContact NE-OD2 3.26Å; R237-D239 IonicContact NH2-OD2 3.19Å; R237-D239 PolarHBondContact NH2-OD2 3.19Å
238G98.2Very high97.9Very high39 Ų3945.6 Ų45.640%0.40223%0.232SC..THydrogen-bonded Turntrans81.416.8-176.800000114.2L234 D235 K236 Y241L234-G238 PolarHBondContact O-N 3.3Å; D235-G238 PolarHBondContact O-N 3Å; K236-G238 PolarHBondContact O-N 3.13Å; G238-Y241 PolarHBondContact O-OH 3.06Å
239D98.3Very high97.7Very high29 Ų2944.8 Ų44.816%0.15523%0.23CC..  trans-106.40.7-174.5-78.6-33.8000113.8R183 R184 L185 L234 R237R183-D239 VanDerWaalsContact O-CB 3.3Å; R183-D239 WeakPolarHBondContact O-CB 3.39Å; R183-D239 VanDerWaalsContact O-OD2 3.06Å; R184-D239 CarbonylContact C-O 3.52Å; R184-D239 WeakPolarHBondContact CA-O 3.4Å; R184-D239 HydrophobicContact CG-CB 4.36Å; L185-D239 PolarHBondContact N-O 3.16Å; L234-D239 HydrophobicContact CD2-CB 4.35Å; L234-D239 PolarHBondContact O-N 2.03Å; R237-D239 IonicContact CZ-OD2 2.76Å; R237-D239 IonicContact NE-OD2 2.76Å; R237-D239 PolarHBondContact NE-OD2 3.26Å; R237-D239 IonicContact NH2-OD2 3.19Å; R237-D239 PolarHBondContact NH2-OD2 3.19Å
240L98.7Very high97.5Very high14 Ų1446.9 Ų46.97%0.07324%0.241CC..EExtended strand (participates in β ladder)trans-95.8114.9167.1-179.762.9000110.4L185 L187 L218 L234 D235 L242L185-L240 HydrophobicContact CB-CD1 4Å; L185-L240 HydrophobicContact CD2-CD1 3.83Å; L185-L240 HydrophobicContact CG-CD1 3.96Å; L187-L240 HydrophobicContact CD1-CD1 4.05Å; L187-L240 HydrophobicContact CG-CD1 4.41Å; L218-L240 HydrophobicContact CD2-CD2 3.76Å; L234-L240 HydrophobicContact CB-CB 4.33Å; L234-L240 PolarHBondContact O-N 2.91Å; D235-L240 HydrophobicContact CB-CB 4.17Å; D235-L240 HydrophobicContact CB-CD2 3.88Å; L240-L242 HydrophobicContact CD1-CD2 4.3Å; L240-L242 HydrophobicContact CG-CD2 4.28Å
241Y98.6Very high97.3Very high62 Ų6251 Ų5124%0.24326%0.264CS..EExtended strand (participates in β ladder)trans-111.1118.2179.1-64.9-91.8000110.9R184 L185 V186 L187 G238 F265R184-Y241 HydrophobicContact CB-CD2 4.47Å; R184-Y241 HydrophobicContact CB-CE2 4.33Å; R184-Y241 HydrophobicContact CG-CE2 3.93Å; L185-Y241 PolarHBondContact O-N 3.41Å; V186-Y241 HydrophobicContact CG2-CD2 4.21Å; L187-Y241 PolarHBondContact N-O 3.38Å; G238-Y241 PolarHBondContact O-OH 3.06Å; Y241-F265 AromaticContact CD1-CE1 3.68Å; Y241-F265 HydrophobicContact CD1-CE1 3.68Å; Y241-F265 AromaticContact CD1-CZ 3.89Å; Y241-F265 HydrophobicContact CD1-CZ 3.89Å; Y241-F265 HydrophobicContact CD2-CD1 4.45Å; Y241-F265 AromaticContact CD2-CE1 3.76Å; Y241-F265 HydrophobicContact CD2-CE1 3.76Å; Y241-F265 HydrophobicContact CD2-CZ 4.42Å; Y241-F265 AromaticContact CE1-CE1 3.82Å; Y241-F265 HydrophobicContact CE1-CE1 3.82Å; Y241-F265 HydrophobicContact CE1-CZ 4.4Å; Y241-F265 HydrophobicContact CE2-CD1 4.43Å; Y241-F265 AromaticContact CE2-CE1 3.89Å; Y241-F265 HydrophobicContact CE2-CE1 3.89Å; Y241-F265 AromaticContact CG-CE1 3.65Å; Y241-F265 HydrophobicContact CG-CE1 3.65Å; Y241-F265 AromaticContact CG-CZ 3.9Å; Y241-F265 HydrophobicContact CG-CZ 3.9Å; Y241-F265 AromaticContact CZ-CE1 3.91Å
242L98.5Very high97Very high62 Ų6252.9 Ų52.933%0.32527%0.272SS..EExtended strand (participates in β ladder)trans-100.5105.7173.3-55.1-175.7000108.9L187 W203 L240L187-L242 HydrophobicContact CB-CD2 4.13Å; L187-L242 HydrophobicContact CD1-CD2 3.83Å; L187-L242 HydrophobicContact CG-CD2 4.37Å; W203-L242 HydrophobicContact CB-CD2 4.26Å; W203-L242 HydrophobicContact CD2-CB 4.04Å; W203-L242 HydrophobicContact CD2-CD2 4.48Å; W203-L242 HydrophobicContact CG-CB 4.39Å; W203-L242 HydrophobicContact CG-CD2 3.99Å; W203-L242 HydrophobicContact CH2-CB 4.43Å; W203-L242 HydrophobicContact CZ2-CB 3.87Å; L240-L242 HydrophobicContact CD1-CD2 4.3Å; L240-L242 HydrophobicContact CG-CD2 4.28Å
243I98.4Very high96.7Very high19 Ų1954.8 Ų54.810%0.09729%0.286CS..EExtended strand (participates in β ladder)trans-107.6126-177.5-59.4178000109.8V186 L187 V188 K189 W203 W256 I261 F265V186-I243 HydrophobicContact CG1-CD1 3.58Å; V186-I243 HydrophobicContact CG1-CG1 4.37Å; L187-I243 PolarHBondContact O-N 2.59Å; V188-I243 CarbonylContact C-O 3.56Å; V188-I243 VanDerWaalsContact CA-O 3.26Å; V188-I243 WeakPolarHBondContact CA-O 2.99Å; V188-I243 HydrophobicContact CG2-CB 4.3Å; K189-I243 PolarHBondContact N-O 3.29Å; W203-I243 WeakPolarHBondContact CZ2-O 3.23Å; W203-I243 PolarHBondContact NE1-O 2.88Å; I243-W256 HydrophobicContact CG2-CH2 4.24Å; I243-W256 HydrophobicContact CG2-CZ2 3.87Å; I243-I261 HydrophobicContact CD1-CD1 4.18Å; I243-F265 HydrophobicContact CD1-CE2 3.54Å; I243-F265 HydrophobicContact CD1-CZ 3.86Å
244E97.9Very high96.5Very high104 Ų10457.2 Ų57.249%0.48630%0.297SS..EExtended strand (participates in β ladder)trans-101.3137176.6-166.3165.673.400109.5K189 T191 W203K189-E244 WeakPolarHBondContact CE-OE2 3.39Å; K189-E244 IonicContact NZ-OE2 3.58Å; K189-E244 PolarHBondContact NZ-OE2 3.26Å; K189-E244 WeakPolarHBondContact O-CA 3.46Å; T191-E244 VanDerWaalsContact CG2-CD 3.43Å; T191-E244 HydrophobicContact CG2-CG 3.39Å; W203-E244 HydrophobicContact CH2-CB 3.78Å; W203-E244 HydrophobicContact CH2-CG 4.34Å; W203-E244 HydrophobicContact CZ2-CB 3.79Å
245K97.8Very high96.3Very high35 Ų3564.6 Ų64.615%0.15233%0.33CS..EExtended strand (participates in β ladder)trans-128.2122.4175.1175.152.8174.160.40109.3V188 K189 F190 T191 G247 D251 W256V188-K245 HydrophobicContact CG1-CB 4.2Å; K189-K245 PolarHBondContact O-N 3.24Å; F190-K245 VanDerWaalsContact CA-O 3.25Å; F190-K245 WeakPolarHBondContact CA-O 3.49Å; F190-K245 HydrophobicContact CD1-CB 3.97Å; F190-K245 HydrophobicContact CD1-CG 3.85Å; F190-K245 HydrophobicContact CE1-CB 3.99Å; F190-K245 HydrophobicContact CE1-CG 3.68Å; T191-K245 PolarHBondContact N-O 3.12Å; T191-K245 VanDerWaalsContact N-O 3.1Å; K245-G247 PolarHBondContact O-N 2.92Å; K245-D251 PolarHBondContact NZ-O 3.2Å; K245-W256 HydrophobicContact CB-CH2 4.33Å; K245-W256 HydrophobicContact CB-CZ2 3.9Å; K245-W256 HydrophobicContact CD-CD2 4.21Å; K245-W256 HydrophobicContact CD-CG 4.35Å; K245-W256 HydrophobicContact CD-CZ2 4.22Å; K245-W256 HydrophobicContact CG-CZ2 4.19Å
246S97Very high96.2Very high85 Ų8565 Ų6559%0.59433%0.329SS*.  trans-64.5133.8172.7-49.90000111.3T191T191-S246 VanDerWaalsContact OG1-CA 3.31Å; T191-S246 WeakPolarHBondContact OG1-CA 3.29Å
247G95.2Very high96.1Very high13 Ų1357.7 Ų57.713%0.13430%0.297CS..SBendtrans136.2178.7179.400000113.2N192 K245N192-G247 CarbonylContact C-O 3.57Å; N192-G247 WeakPolarHBondContact CA-O 3.24Å; N192-G247 WeakPolarHBondContact CB-O 3.37Å; N192-G247 PolarHBondContact N-O 2.99Å; K245-G247 PolarHBondContact O-N 2.92Å
248E94.3Very high96Very high54 Ų5453.8 Ų53.825%0.25229%0.286SS..SBendtrans-74.6175.3170.8-130.9-72.6-113.700110.8K110 F190 D193 T194 L250 D251K110-E248 VanDerWaalsContact CE-OE1 3.26Å; K110-E248 WeakPolarHBondContact CE-OE1 3.47Å; K110-E248 IonicContact NZ-OE1 3.79Å; F190-E248 WeakPolarHBondContact CD1-O 3.12Å; F190-E248 WeakPolarHBondContact CG-O 3.44Å; D193-E248 WeakPolarHBondContact CA-OE2 3.27Å; T194-E248 PolarHBondContact N-OE2 3.48Å; T194-E248 PolarHBondContact OG1-OE1 3.25Å; T194-E248 VanDerWaalsContact OG1-OE1 3.06Å; T194-E248 PolarHBondContact OG1-OE2 3.05Å; E248-L250 PolarHBondContact O-N 3.31Å; E248-D251 HydrophobicContact CB-CB 4.42Å; E248-D251 WeakPolarHBondContact O-CB 3.34Å; E248-D251 PolarHBondContact O-N 2.68Å
249H94.1Very high95.9Very high31 Ų3155.8 Ų55.814%0.14429%0.288CS..THydrogen-bonded Turntrans-48.4119174.7-164.865.9000112S74 G99 D193 V195 V196 D251S74-H249 WeakPolarHBondContact CB-NE2 3.35Å; S74-H249 PolarHBondContact OG-NE2 2.66Å; G99-H249 PolarHBondContact O-CE1 2.87Å; D193-H249 IonicContact OD1-CG 2.88Å; D193-H249 IonicContact OD1-ND1 3.69Å; D193-H249 PolarHBondContact OD1-ND1 3.12Å; D193-H249 IonicContact OD2-CE1 3.98Å; D193-H249 IonicContact OD2-CG 3.64Å; D193-H249 IonicContact OD2-ND1 3.59Å; D193-H249 PolarHBondContact OD2-ND1 3.21Å; V195-H249 HydrophobicContact CB-CB 3.82Å; V195-H249 HydrophobicContact CG2-CB 3.64Å; V196-H249 VanDerWaalsContact CG2-CE1 3.47Å; V196-H249 WeakPolarHBondContact CG2-CE1 3.3Å; H249-D251 PolarHBondContact O-N 3.43Å
250L94Very high95.8Very high44 Ų4456.8 Ų56.823%0.2329%0.293CS..THydrogen-bonded Turntrans61.519-179.2-49.3-178.8000114.8I73 I98 F190 E248 F252I73-L250 HydrophobicContact CG2-CD1 3.5Å; I73-L250 HydrophobicContact CG2-CD2 3.74Å; I73-L250 HydrophobicContact CG2-CG 4.26Å; I98-L250 HydrophobicContact CG2-CD2 4.02Å; I98-L250 WeakPolarHBondContact O-CD2 3.43Å; F190-L250 HydrophobicContact CE2-CD2 3.97Å; F190-L250 VanDerWaalsContact CZ-CA 3.5Å; F190-L250 HydrophobicContact CZ-CD2 4.33Å; E248-L250 PolarHBondContact O-N 3.31Å; L250-F252 VanDerWaalsContact C-N 3.35Å; L250-F252 HydrophobicContact CB-CE1 4.12Å; L250-F252 HydrophobicContact CD2-CE1 4.33Å; L250-F252 VanDerWaalsContact O-CD1 3.27Å; L250-F252 WeakPolarHBondContact O-CD1 3.43Å; L250-F252 PolarHBondContact O-N 3.13Å
251D93.1Very high95.8Very high87 Ų8756.1 Ų56.147%0.46529%0.29SS..  trans-77.685173.3-177.214000110.5K245 E248 H249K245-D251 PolarHBondContact NZ-O 3.2Å; E248-D251 HydrophobicContact CB-CB 4.42Å; E248-D251 WeakPolarHBondContact O-CB 3.34Å; E248-D251 PolarHBondContact O-N 2.68Å; H249-D251 PolarHBondContact O-N 3.43Å
252F93.1Very high95.6Very high39 Ų3953.2 Ų53.217%0.17128%0.278CS..  trans-139.8146.717361.5-92.1000112.1I98 F190 L250 W256 F257I98-F252 HydrophobicContact CG2-CD1 4.21Å; I98-F252 HydrophobicContact CG2-CE1 3.74Å; I98-F252 HydrophobicContact CG2-CZ 4.43Å; F190-F252 HydrophobicContact CE1-CB 4.5Å; F190-F252 HydrophobicContact CE1-CD1 4.06Å; F190-F252 AromaticContact CZ-CD1 3.74Å; F190-F252 HydrophobicContact CZ-CD1 3.74Å; F190-F252 HydrophobicContact CZ-CE1 4.34Å; L250-F252 VanDerWaalsContact C-N 3.35Å; L250-F252 HydrophobicContact CB-CE1 4.12Å; L250-F252 HydrophobicContact CD2-CE1 4.33Å; L250-F252 VanDerWaalsContact O-CD1 3.27Å; L250-F252 WeakPolarHBondContact O-CD1 3.43Å; L250-F252 PolarHBondContact O-N 3.13Å; F252-W256 HydrophobicContact CB-CD2 4.19Å; F252-W256 HydrophobicContact CB-CE3 3.6Å; F252-W256 HydrophobicContact CB-CZ3 4.16Å; F252-W256 HydrophobicContact CD2-CE3 4.3Å; F252-W256 HydrophobicContact CG-CE3 4.08Å; F252-W256 HydrophobicContact CG-CZ3 4.36Å; F252-F257 HydrophobicContact CD2-CB 3.81Å; F252-F257 HydrophobicContact CE2-CB 3.9Å; F252-F257 HydrophobicContact CE2-CD2 4.16Å; F252-F257 HydrophobicContact CE2-CG 4.13Å
253T93.4Very high95.4Very high84 Ų8454.2 Ų54.252%0.51528%0.283SS..  trans-85.1159.6177.667.20000111.3K255 W256 F257T253-K255 VanDerWaalsContact C-N 3.26Å; T253-K255 PolarHBondContact O-N 3.17Å; T253-W256 WeakPolarHBondContact O-CB 3.19Å; T253-W256 PolarHBondContact O-N 3.45Å; T253-W256 WeakPolarHBondContact OG1-CB 3.42Å; T253-W256 PolarHBondContact OG1-N 3.1Å; T253-W256 VanDerWaalsContact OG1-N 3.16Å; T253-F257 PolarHBondContact O-N 2.99Å
254N92.4Very high95.3Very high105 Ų10559.8 Ų59.856%0.56130%0.303SS*.Hα-helixtrans-54-44.2173.6-72.7-1.1000112.6M16 W256 F257 V258M16-N254 HydrophobicContact CE-CB 3.5Å; M16-N254 VanDerWaalsContact CE-CB 3.5Å; M16-N254 WeakPolarHBondContact CE-OD1 3.15Å; M16-N254 HydrophobicContact SD-CB 4.23Å; M16-N254 VanDerWaalsContact SD-CG 3.57Å; M16-N254 PolarHBondContact SD-OD1 3.19Å; M16-N254 VanDerWaalsContact SD-OD1 3.33Å; N254-W256 VanDerWaalsContact C-N 3.34Å; N254-W256 PolarHBondContact O-N 2.82Å; N254-F257 PolarHBondContact O-N 3.49Å; N254-V258 VanDerWaalsContact O-CG2 3.28Å; N254-V258 WeakPolarHBondContact O-CG2 3.25Å; N254-V258 PolarHBondContact O-N 3.42Å
255K94.7Very high95.3Very high156 Ų15654.9 Ų54.968%0.67828%0.28SS*.Hα-helixtrans-62-42.1177.4-176.9177.9179.1179.90111.5T253 N259T253-K255 VanDerWaalsContact C-N 3.26Å; T253-K255 PolarHBondContact O-N 3.17Å; K255-N259 WeakPolarHBondContact O-CB 3.46Å; K255-N259 PolarHBondContact O-N 2.86Å
256W96.6Very high95.1Very high35 Ų3554.2 Ų54.213%0.13328%0.278CS..Hα-helixtrans-63-48.2178.2-176.492.1000111.2V188 I243 K245 F252 T253 N254 N259 N260 I261V188-W256 HydrophobicContact CG1-CH2 3.69Å; V188-W256 HydrophobicContact CG1-CZ2 4.43Å; V188-W256 HydrophobicContact CG2-CH2 4.11Å; I243-W256 HydrophobicContact CG2-CH2 4.24Å; I243-W256 HydrophobicContact CG2-CZ2 3.87Å; K245-W256 HydrophobicContact CB-CH2 4.33Å; K245-W256 HydrophobicContact CB-CZ2 3.9Å; K245-W256 HydrophobicContact CD-CD2 4.21Å; K245-W256 HydrophobicContact CD-CG 4.35Å; K245-W256 HydrophobicContact CD-CZ2 4.22Å; K245-W256 HydrophobicContact CG-CZ2 4.19Å; F252-W256 HydrophobicContact CB-CD2 4.19Å; F252-W256 HydrophobicContact CB-CE3 3.6Å; F252-W256 HydrophobicContact CB-CZ3 4.16Å; F252-W256 HydrophobicContact CD2-CE3 4.3Å; F252-W256 HydrophobicContact CG-CE3 4.08Å; F252-W256 HydrophobicContact CG-CZ3 4.36Å; T253-W256 WeakPolarHBondContact O-CB 3.19Å; T253-W256 PolarHBondContact O-N 3.45Å; T253-W256 WeakPolarHBondContact OG1-CB 3.42Å; T253-W256 PolarHBondContact OG1-N 3.1Å; T253-W256 VanDerWaalsContact OG1-N 3.16Å; N254-W256 VanDerWaalsContact C-N 3.34Å; N254-W256 PolarHBondContact O-N 2.82Å; W256-N259 PolarHBondContact O-N 3.18Å; W256-N260 VanDerWaalsContact CD1-ND2 3.27Å; W256-N260 HydrophobicContact CD2-CB 4.25Å; W256-N260 HydrophobicContact CH2-CB 4.47Å; W256-N260 HydrophobicContact CZ2-CB 4.06Å; W256-N260 PolarHBondContact NE1-ND2 3.27Å; W256-N260 VanDerWaalsContact O-CB 3.3Å; W256-N260 WeakPolarHBondContact O-CB 3.49Å; W256-N260 PolarHBondContact O-N 2.96Å; W256-N260 PolarHBondContact O-ND2 2.8Å; W256-I261 HydrophobicContact CH2-CD1 4.13Å; W256-I261 HydrophobicContact CH2-CG1 4.31Å; W256-I261 HydrophobicContact CZ3-CD1 4.27Å; W256-I261 HydrophobicContact CZ3-CG1 3.95Å
257F96Very high94.6Very high0 Ų059 Ų590%029%0.288CS..Hα-helixtrans-61-46.4179.6176.7-111000112V13 M16 I17 I71 I98 F252 T253 N254 N259 I261 L262V13-F257 HydrophobicContact CG1-CE1 4.09Å; V13-F257 HydrophobicContact CG1-CZ 3.93Å; M16-F257 HydrophobicContact CE-CB 4.28Å; M16-F257 HydrophobicContact CE-CD1 3.6Å; M16-F257 HydrophobicContact CE-CE1 4.42Å; M16-F257 HydrophobicContact CE-CG 4.39Å; I17-F257 HydrophobicContact CG1-CE1 4.34Å; I71-F257 HydrophobicContact CD1-CZ 4.04Å; I98-F257 HydrophobicContact CD1-CD2 3.85Å; I98-F257 HydrophobicContact CD1-CE2 3.55Å; F252-F257 HydrophobicContact CD2-CB 3.81Å; F252-F257 HydrophobicContact CE2-CB 3.9Å; F252-F257 HydrophobicContact CE2-CD2 4.16Å; F252-F257 HydrophobicContact CE2-CG 4.13Å; T253-F257 PolarHBondContact O-N 2.99Å; N254-F257 PolarHBondContact O-N 3.49Å; F257-N259 PolarHBondContact O-N 3.28Å; F257-I261 HydrophobicContact CD2-CB 3.85Å; F257-I261 HydrophobicContact CD2-CG1 3.82Å; F257-I261 HydrophobicContact CD2-CG2 4.25Å; F257-I261 HydrophobicContact CE2-CB 3.97Å; F257-I261 HydrophobicContact CE2-CG1 4.24Å; F257-I261 HydrophobicContact CE2-CG2 3.85Å; F257-I261 WeakPolarHBondContact O-CA 3.29Å; F257-I261 VanDerWaalsContact O-CB 3.25Å; F257-I261 WeakPolarHBondContact O-CB 3.39Å; F257-I261 PolarHBondContact O-N 2.91Å; F257-L262 HydrophobicContact CD1-CD1 3.95Å; F257-L262 HydrophobicContact CD1-CD2 4.36Å; F257-L262 HydrophobicContact CD1-CG 3.99Å; F257-L262 HydrophobicContact CE1-CD1 3.67Å; F257-L262 HydrophobicContact CE1-CD2 3.62Å; F257-L262 HydrophobicContact CE1-CG 3.7Å; F257-L262 HydrophobicContact CE2-CD2 4.3Å; F257-L262 HydrophobicContact CZ-CD1 4.48Å; F257-L262 HydrophobicContact CZ-CD2 3.57Å; F257-L262 HydrophobicContact CZ-CG 4.1Å; F257-L262 PolarHBondContact O-N 3.39Å; F257-L262 VanDerWaalsContact O-N 3.16Å
258V95.3Very high94.5Very high33 Ų3361.3 Ų61.320%0.230%0.295CS..Iπ-helixtrans-59.4-49.6178171.50000111.2M16 A20 N254 L262 I263M16-V258 HydrophobicContact CE-CG2 4.15Å; A20-V258 HydrophobicContact CB-CG1 4.14Å; N254-V258 VanDerWaalsContact O-CG2 3.28Å; N254-V258 WeakPolarHBondContact O-CG2 3.25Å; N254-V258 PolarHBondContact O-N 3.42Å; V258-L262 HydrophobicContact CG2-CD1 4.11Å; V258-L262 PolarHBondContact O-N 3.26Å; V258-I263 HydrophobicContact CG1-CD1 3.75Å; V258-I263 HydrophobicContact CG1-CG1 4.09Å; V258-I263 WeakPolarHBondContact O-CG1 3.37Å; V258-I263 PolarHBondContact O-N 3.37Å
259N95.8Very high94.5Very high80 Ų8061.6 Ų61.643%0.42830%0.298SS..Iπ-helixtrans-74.5-40.2-173.8-69.8-5.9000113.1K255 W256 F257K255-N259 WeakPolarHBondContact O-CB 3.46Å; K255-N259 PolarHBondContact O-N 2.86Å; W256-N259 PolarHBondContact O-N 3.18Å; F257-N259 PolarHBondContact O-N 3.28Å
260N96.9Very high94.6Very high51 Ų5163.3 Ų63.327%0.27331%0.306SS..Iπ-helixtrans-94.7-21.9-171.4-65.3-83000113.4W256 F265W256-N260 VanDerWaalsContact CD1-ND2 3.27Å; W256-N260 HydrophobicContact CD2-CB 4.25Å; W256-N260 HydrophobicContact CH2-CB 4.47Å; W256-N260 HydrophobicContact CZ2-CB 4.06Å; W256-N260 PolarHBondContact NE1-ND2 3.27Å; W256-N260 VanDerWaalsContact O-CB 3.3Å; W256-N260 WeakPolarHBondContact O-CB 3.49Å; W256-N260 PolarHBondContact O-N 2.96Å; W256-N260 PolarHBondContact O-ND2 2.8Å; N260-F265 WeakPolarHBondContact O-CD2 3.48Å; N260-F265 WeakPolarHBondContact O-CE2 3.38Å
261I97.7Very high94.6Very high0 Ų064.5 Ų64.50%031%0.311CS..Iπ-helixtrans-111.4-62-179.9-53-58.9000110.8V96 I98 V186 V188 I243 W256 F257 F265V96-I261 HydrophobicContact CG1-CD1 4.38Å; V96-I261 HydrophobicContact CG1-CG2 3.76Å; V96-I261 HydrophobicContact CG2-CG2 4.13Å; I98-I261 HydrophobicContact CD1-CG1 4.49Å; V186-I261 HydrophobicContact CG1-CD1 4.31Å; V188-I261 HydrophobicContact CG2-CD1 3.77Å; I243-I261 HydrophobicContact CD1-CD1 4.18Å; W256-I261 HydrophobicContact CH2-CD1 4.13Å; W256-I261 HydrophobicContact CH2-CG1 4.31Å; W256-I261 HydrophobicContact CZ3-CD1 4.27Å; W256-I261 HydrophobicContact CZ3-CG1 3.95Å; F257-I261 HydrophobicContact CD2-CB 3.85Å; F257-I261 HydrophobicContact CD2-CG1 3.82Å; F257-I261 HydrophobicContact CD2-CG2 4.25Å; F257-I261 HydrophobicContact CE2-CB 3.97Å; F257-I261 HydrophobicContact CE2-CG1 4.24Å; F257-I261 HydrophobicContact CE2-CG2 3.85Å; F257-I261 WeakPolarHBondContact O-CA 3.29Å; F257-I261 VanDerWaalsContact O-CB 3.25Å; F257-I261 WeakPolarHBondContact O-CB 3.39Å; F257-I261 PolarHBondContact O-N 2.91Å; I261-F265 WeakPolarHBondContact O-CB 3.47Å; I261-F265 WeakPolarHBondContact O-CD2 3.16Å; I261-F265 PolarHBondContact O-N 2.84Å; I261-F265 VanDerWaalsContact O-N 3.08Å
262L96.1Very high94.7Very high0 Ų063.1 Ų63.10%030%0.301CS..Iπ-helixtrans-68.4-59.7-168.8-56.2-173.9000112.6I17 A20 I71 F257 V258 R264 L266 K267I17-L262 HydrophobicContact CG1-CD1 4.04Å; I17-L262 HydrophobicContact CG1-CD2 3.75Å; A20-L262 HydrophobicContact CB-CB 4.38Å; A20-L262 HydrophobicContact CB-CD1 3.72Å; I71-L262 HydrophobicContact CD1-CD2 4.14Å; F257-L262 HydrophobicContact CD1-CD1 3.95Å; F257-L262 HydrophobicContact CD1-CD2 4.36Å; F257-L262 HydrophobicContact CD1-CG 3.99Å; F257-L262 HydrophobicContact CE1-CD1 3.67Å; F257-L262 HydrophobicContact CE1-CD2 3.62Å; F257-L262 HydrophobicContact CE1-CG 3.7Å; F257-L262 HydrophobicContact CE2-CD2 4.3Å; F257-L262 HydrophobicContact CZ-CD1 4.48Å; F257-L262 HydrophobicContact CZ-CD2 3.57Å; F257-L262 HydrophobicContact CZ-CG 4.1Å; F257-L262 PolarHBondContact O-N 3.39Å; F257-L262 VanDerWaalsContact O-N 3.16Å; V258-L262 HydrophobicContact CG2-CD1 4.11Å; V258-L262 PolarHBondContact O-N 3.26Å; L262-R264 VanDerWaalsContact C-N 3.25Å; L262-R264 PolarHBondContact O-N 2.82Å; L262-L266 HydrophobicContact CD2-CD1 3.59Å; L262-L266 WeakPolarHBondContact O-CB 3.4Å; L262-L266 PolarHBondContact O-N 3.46Å; L262-K267 PolarHBondContact O-N 3.18Å
263I94.2Very high94.8Very high84 Ų8464.7 Ų64.743%0.43131%0.31SS..Hα-helixtrans-62.8-36.9-177.4-67.1173.7000110.8V258V258-I263 HydrophobicContact CG1-CD1 3.75Å; V258-I263 HydrophobicContact CG1-CG1 4.09Å; V258-I263 WeakPolarHBondContact O-CG1 3.37Å; V258-I263 PolarHBondContact O-N 3.37Å
264R96.1Very high94.9Very high135 Ų13563.3 Ų63.351%0.50930%0.295SS..Hα-helixtrans-75.8-35.5-174.1-172.1172.8178.3-178.40.9113.6L262L262-R264 VanDerWaalsContact C-N 3.25Å; L262-R264 PolarHBondContact O-N 2.82Å
265F97.1Very high95.1Very high2 Ų260.1 Ų60.11%0.00928%0.275CS..Hα-helixtrans-125.5-16.6-168.2-57.8-69000115.9T94 V186 Y241 I243 N260 I261T94-F265 HydrophobicContact CG2-CB 3.9Å; T94-F265 PolarHBondContact OG1-O 2.76Å; V186-F265 HydrophobicContact CG1-CD2 4.11Å; V186-F265 HydrophobicContact CG1-CE2 3.82Å; V186-F265 HydrophobicContact CG1-CZ 4.27Å; V186-F265 HydrophobicContact CG2-CB 4.35Å; V186-F265 HydrophobicContact CG2-CD1 3.83Å; V186-F265 HydrophobicContact CG2-CD2 3.89Å; V186-F265 HydrophobicContact CG2-CE1 4Å; V186-F265 HydrophobicContact CG2-CE2 4.06Å; V186-F265 HydrophobicContact CG2-CG 3.77Å; V186-F265 HydrophobicContact CG2-CZ 4.11Å; Y241-F265 AromaticContact CD1-CE1 3.68Å; Y241-F265 HydrophobicContact CD1-CE1 3.68Å; Y241-F265 AromaticContact CD1-CZ 3.89Å; Y241-F265 HydrophobicContact CD1-CZ 3.89Å; Y241-F265 HydrophobicContact CD2-CD1 4.45Å; Y241-F265 AromaticContact CD2-CE1 3.76Å; Y241-F265 HydrophobicContact CD2-CE1 3.76Å; Y241-F265 HydrophobicContact CD2-CZ 4.42Å; Y241-F265 AromaticContact CE1-CE1 3.82Å; Y241-F265 HydrophobicContact CE1-CE1 3.82Å; Y241-F265 HydrophobicContact CE1-CZ 4.4Å; Y241-F265 HydrophobicContact CE2-CD1 4.43Å; Y241-F265 AromaticContact CE2-CE1 3.89Å; Y241-F265 HydrophobicContact CE2-CE1 3.89Å; Y241-F265 AromaticContact CG-CE1 3.65Å; Y241-F265 HydrophobicContact CG-CE1 3.65Å; Y241-F265 AromaticContact CG-CZ 3.9Å; Y241-F265 HydrophobicContact CG-CZ 3.9Å; Y241-F265 AromaticContact CZ-CE1 3.91Å; I243-F265 HydrophobicContact CD1-CE2 3.54Å; I243-F265 HydrophobicContact CD1-CZ 3.86Å; N260-F265 WeakPolarHBondContact O-CD2 3.48Å; N260-F265 WeakPolarHBondContact O-CE2 3.38Å; I261-F265 WeakPolarHBondContact O-CB 3.47Å; I261-F265 WeakPolarHBondContact O-CD2 3.16Å; I261-F265 PolarHBondContact O-N 2.84Å; I261-F265 VanDerWaalsContact O-N 3.08Å
266L94.4Very high95.1Very high20 Ų2052.1 Ų52.111%0.10524%0.241CC..THydrogen-bonded Turntrans-117.5-10.9-172.9-51.5-174.6000113.8I21 H69 I71 T94 V96 L262I21-L266 HydrophobicContact CD1-CB 3.85Å; H69-L266 HydrophobicContact CB-CD2 3.73Å; I71-L266 HydrophobicContact CD1-CD1 3.6Å; I71-L266 HydrophobicContact CG1-CD1 4.16Å; T94-L266 HydrophobicContact CG2-CD2 3.91Å; V96-L266 HydrophobicContact CG2-CD2 4.29Å; L262-L266 HydrophobicContact CD2-CD1 3.59Å; L262-L266 WeakPolarHBondContact O-CB 3.4Å; L262-L266 PolarHBondContact O-N 3.46Å
267K85.3Confident95Very high185 Ų18553.6 Ų53.680%0.80425%0.251SS*.  trans-91.70169.8-169.2176.4-179.9179.80109.8L262L262-K267 PolarHBondContact O-N 3.18Å

Retrieved 267 of 267 residues in 607.1 ms (Link to these results)

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