A0A3Q0KMX6_SCHMA Loading...

DNAj homolog subfamily C member, putative

AlphaFold DB , UniProt , Accession A0A3Q0KMX6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 470 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
1M49.3Very low55.2Low236 Ų236149.6 Ų149.6100%1.16380%0.801SS**  0810-87.8178.9160.400105.5V3M1-V3 PolarHBondContact O-N 3.47Å
2D44.2Very low58.3Low166 Ų166141.9 Ų141.989%0.88877%0.768SS**  trans-79.7108.7174.9-65.2-50.6000106.8E4D2-E4 PolarHBondContact O-N 3.27Å
3V47.8Very low61Low137 Ų137133.5 Ų133.583%0.8372%0.723SS**  trans-82.9102.6176.4-179.20000106.3M1 S5M1-V3 PolarHBondContact O-N 3.47Å; V3-S5 PolarHBondContact O-N 2.95Å
4E45.5Very low63.4Low185 Ų185130.4 Ų130.486%0.86470%0.702SS**PPolyproline II helixtrans-53.4122.3165.8-77.6173.315700109.1D2D2-E4 PolarHBondContact O-N 3.27Å
5S46.6Very low65.6Low100 Ų100127.7 Ų127.770%0.69968%0.683SS**PPolyproline II helixtrans-65.3139.2170.859.80000109.4V3 E7V3-S5 PolarHBondContact O-N 2.95Å; S5-E7 PolarHBondContact O-N 3.16Å
6P45.1Very low67.6Low126 Ų126121.3 Ų121.382%0.81865%0.647SS**PPolyproline II helixtrans-64.8122.217811.3-4.1000109.3S8P6-S8 PolarHBondContact O-N 3.39Å; P6-S8 VanDerWaalsContact O-N 3.08Å
7E46.9Very low69.3Low191 Ų191116.2 Ų116.289%0.89362%0.618SS**  trans-54.3113.6165.3-71.6-179.7155.800107.9S5 E9S5-E7 PolarHBondContact O-N 3.16Å; E7-E9 PolarHBondContact O-N 2.87Å
8S55.5Low70.9Confident114 Ų114114.1 Ų114.180%0.79761%0.606SS**  trans-65.1108.3172.459.40000108.1P6 Q10P6-S8 PolarHBondContact O-N 3.39Å; P6-S8 VanDerWaalsContact O-N 3.08Å; S8-Q10 PolarHBondContact O-N 3.13Å
9E62.7Low72.3Confident189 Ų189112.6 Ų112.688%0.88360%0.595SS**  trans-51.2113.9174.1-99.7176.7162.100109.9E7 L11E7-E9 PolarHBondContact O-N 2.87Å; E9-L11 PolarHBondContact O-N 3.17Å
10Q78.3Confident73.6Confident144 Ų144107 Ų10767%0.67357%0.566SS**PPolyproline II helixtrans-73.4121.3176.3-170.91708.200108.3S8 Y16 I42S8-Q10 PolarHBondContact O-N 3.13Å; Q10-Y16 HydrophobicContact CG-CE2 4.49Å; Q10-I42 HydrophobicContact CG-CD1 4.01Å; Q10-I42 VanDerWaalsContact NE2-CD1 3.31Å
11L85.5Confident74.7Confident58 Ų58103.9 Ų103.930%0.30455%0.549SS..PPolyproline II helixtrans-62.3155.7179.3-61.4173.2000110.7E9 E15 Y16 W35E9-L11 PolarHBondContact O-N 3.17Å; L11-E15 HydrophobicContact CB-CB 3.99Å; L11-E15 HydrophobicContact CD2-CB 4.46Å; L11-Y16 HydrophobicContact CB-CD1 4.2Å; L11-Y16 HydrophobicContact CB-CD2 4.05Å; L11-Y16 HydrophobicContact CB-CE1 3.89Å; L11-Y16 HydrophobicContact CB-CE2 3.69Å; L11-Y16 HydrophobicContact CB-CG 4.3Å; L11-Y16 HydrophobicContact CD1-CD1 4.03Å; L11-Y16 HydrophobicContact CD1-CE1 3.82Å; L11-Y16 HydrophobicContact CG-CE1 4.21Å; L11-Y16 PolarHBondContact N-OH 2.91Å; L11-Y16 WeakPolarHBondContact O-CE2 3.31Å; L11-W35 HydrophobicContact CD1-CZ3 4.19Å
12S92.2Very high77Confident57 Ų5795 Ų9540%0.39951%0.51SS..PPolyproline II helixtrans-6815816966.60000111.7E14 E15 Y16S12-E14 PolarHBondContact O-N 2.92Å; S12-E15 WeakPolarHBondContact CB-OE2 3.38Å; S12-E15 PolarHBondContact N-OE2 3.21Å; S12-E15 PolarHBondContact O-N 3.35Å; S12-E15 VanDerWaalsContact O-N 3.11Å; S12-E15 WeakPolarHBondContact OG-CB 3.35Å; S12-E15 VanDerWaalsContact OG-CD 3.23Å; S12-E15 VanDerWaalsContact OG-CG 3.23Å; S12-E15 WeakPolarHBondContact OG-CG 3.44Å; S12-E15 PolarHBondContact OG-N 2.88Å; S12-E15 PolarHBondContact OG-OE2 3.47Å; S12-Y16 VanDerWaalsContact O-CD2 3.27Å; S12-Y16 WeakPolarHBondContact O-CD2 3.35Å; S12-Y16 PolarHBondContact O-N 3.14Å
13V94Very high79.6Confident32 Ų3287.6 Ų87.619%0.19447%0.472CS..Hα-helixtrans-55.1-38.1175.6-179.60000111.6Y16 K17 I42 D43 L49V13-Y16 PolarHBondContact O-N 3.34Å; V13-K17 WeakPolarHBondContact O-CB 3.43Å; V13-K17 PolarHBondContact O-N 3.31Å; V13-I42 HydrophobicContact CG2-CB 4.03Å; V13-I42 HydrophobicContact CG2-CG2 3.53Å; V13-D43 HydrophobicContact CG1-CB 4.1Å; V13-D43 HydrophobicContact CG2-CB 3.85Å; V13-L49 HydrophobicContact CG1-CD1 3.71Å
14E94.6Very high82Confident91 Ų9184.5 Ų84.543%0.42545%0.446SS..Hα-helixtrans-67.9-40.2178.6-172.159.2-155.900112S12 K17 N18S12-E14 PolarHBondContact O-N 2.92Å; E14-K17 WeakPolarHBondContact O-CB 3.36Å; E14-K17 PolarHBondContact O-N 3.4Å; E14-K17 WeakPolarHBondContact OE1-CE 3.48Å; E14-K17 IonicContact OE1-NZ 2.68Å; E14-K17 PolarHBondContact OE1-NZ 3.46Å; E14-K17 VanDerWaalsContact OE2-CE 3.29Å; E14-K17 WeakPolarHBondContact OE2-CE 3.34Å; E14-K17 IonicContact OE2-NZ 3.35Å; E14-K17 PolarHBondContact OE2-NZ 3.11Å; E14-N18 WeakPolarHBondContact O-CB 3.5Å; E14-N18 PolarHBondContact O-N 3.43Å; E14-N18 PolarHBondContact O-ND2 2.99Å; E14-N18 VanDerWaalsContact O-ND2 3.15Å
15E95.9Very high84.5Confident90 Ų9084.4 Ų84.442%0.42144%0.443SS..Hα-helixtrans-65.8-43.9175.1-73.9164.2140.400111.4L11 S12 K17 N18 Q19L11-E15 HydrophobicContact CB-CB 3.99Å; L11-E15 HydrophobicContact CD2-CB 4.46Å; S12-E15 WeakPolarHBondContact CB-OE2 3.38Å; S12-E15 PolarHBondContact N-OE2 3.21Å; S12-E15 PolarHBondContact O-N 3.35Å; S12-E15 VanDerWaalsContact O-N 3.11Å; S12-E15 WeakPolarHBondContact OG-CB 3.35Å; S12-E15 VanDerWaalsContact OG-CD 3.23Å; S12-E15 VanDerWaalsContact OG-CG 3.23Å; S12-E15 WeakPolarHBondContact OG-CG 3.44Å; S12-E15 PolarHBondContact OG-N 2.88Å; S12-E15 PolarHBondContact OG-OE2 3.47Å; E15-K17 VanDerWaalsContact C-N 3.33Å; E15-K17 PolarHBondContact O-N 3.26Å; E15-N18 PolarHBondContact O-N 2.78Å; E15-N18 VanDerWaalsContact O-N 3.13Å; E15-Q19 WeakPolarHBondContact O-CG 3.35Å; E15-Q19 PolarHBondContact O-N 2.86Å
16Y96.8Very high87Confident25 Ų2585.5 Ų85.510%0.09844%0.437CS..Hα-helixtrans-58.4-44.5173.6-75.4-55.6000112.1Q10 L11 S12 V13 N18 Q19 G20 W35 K38 I42Q10-Y16 HydrophobicContact CG-CE2 4.49Å; L11-Y16 HydrophobicContact CB-CD1 4.2Å; L11-Y16 HydrophobicContact CB-CD2 4.05Å; L11-Y16 HydrophobicContact CB-CE1 3.89Å; L11-Y16 HydrophobicContact CB-CE2 3.69Å; L11-Y16 HydrophobicContact CB-CG 4.3Å; L11-Y16 HydrophobicContact CD1-CD1 4.03Å; L11-Y16 HydrophobicContact CD1-CE1 3.82Å; L11-Y16 HydrophobicContact CG-CE1 4.21Å; L11-Y16 PolarHBondContact N-OH 2.91Å; L11-Y16 WeakPolarHBondContact O-CE2 3.31Å; S12-Y16 VanDerWaalsContact O-CD2 3.27Å; S12-Y16 WeakPolarHBondContact O-CD2 3.35Å; S12-Y16 PolarHBondContact O-N 3.14Å; V13-Y16 PolarHBondContact O-N 3.34Å; Y16-N18 VanDerWaalsContact C-N 3.32Å; Y16-N18 PolarHBondContact O-N 3.3Å; Y16-Q19 PolarHBondContact O-N 3.09Å; Y16-G20 PolarHBondContact O-N 3.24Å; Y16-W35 AromaticContact CD1-CE3 3.69Å; Y16-W35 HydrophobicContact CD1-CE3 3.69Å; Y16-W35 AromaticContact CD1-CZ3 3.9Å; Y16-W35 HydrophobicContact CD1-CZ3 3.9Å; Y16-W35 HydrophobicContact CE1-CE3 4.06Å; Y16-W35 AromaticContact CE1-CZ3 3.85Å; Y16-W35 HydrophobicContact CE1-CZ3 3.85Å; Y16-K38 HydrophobicContact CD1-CB 3.83Å; Y16-K38 HydrophobicContact CD1-CD 4.27Å; Y16-K38 HydrophobicContact CE1-CB 3.8Å; Y16-K38 HydrophobicContact CE1-CD 3.8Å; Y16-K38 HydrophobicContact CE1-CG 4.44Å; Y16-K38 HydrophobicContact CG-CB 4.26Å; Y16-I42 HydrophobicContact CD2-CD1 3.67Å; Y16-I42 HydrophobicContact CE2-CD1 3.18Å
17K97Very high89.5Confident35 Ų3581.2 Ų81.215%0.15242%0.415CS..Hα-helixtrans-59-43.9174.2-169.3-173.374.6-1670111.4V13 E14 E15 G20 N21 F48 L49V13-K17 WeakPolarHBondContact O-CB 3.43Å; V13-K17 PolarHBondContact O-N 3.31Å; E14-K17 WeakPolarHBondContact O-CB 3.36Å; E14-K17 PolarHBondContact O-N 3.4Å; E14-K17 WeakPolarHBondContact OE1-CE 3.48Å; E14-K17 IonicContact OE1-NZ 2.68Å; E14-K17 PolarHBondContact OE1-NZ 3.46Å; E14-K17 VanDerWaalsContact OE2-CE 3.29Å; E14-K17 WeakPolarHBondContact OE2-CE 3.34Å; E14-K17 IonicContact OE2-NZ 3.35Å; E14-K17 PolarHBondContact OE2-NZ 3.11Å; E15-K17 VanDerWaalsContact C-N 3.33Å; E15-K17 PolarHBondContact O-N 3.26Å; K17-G20 PolarHBondContact O-N 3.48Å; K17-N21 WeakPolarHBondContact O-CB 3.35Å; K17-N21 PolarHBondContact O-N 2.83Å; K17-N21 PolarHBondContact O-ND2 3.39Å; K17-N21 PolarHBondContact O-OD1 3.44Å; K17-F48 HydrophobicContact CD-CB 4.38Å; K17-L49 HydrophobicContact CB-CD2 3.72Å; K17-L49 HydrophobicContact CG-CD2 3.85Å
18N97.5Very high91.9Very high77 Ų7775.3 Ų75.341%0.41239%0.388SS..Hα-helixtrans-68.5-39.4-178.9-72.7-26.9000112.8E14 E15 Y16 N21 S22E14-N18 WeakPolarHBondContact O-CB 3.5Å; E14-N18 PolarHBondContact O-N 3.43Å; E14-N18 PolarHBondContact O-ND2 2.99Å; E14-N18 VanDerWaalsContact O-ND2 3.15Å; E15-N18 PolarHBondContact O-N 2.78Å; E15-N18 VanDerWaalsContact O-N 3.13Å; Y16-N18 VanDerWaalsContact C-N 3.32Å; Y16-N18 PolarHBondContact O-N 3.3Å; N18-N21 PolarHBondContact O-N 3.27Å; N18-S22 WeakPolarHBondContact O-CB 3.23Å; N18-S22 PolarHBondContact O-N 2.91Å
19Q97.6Very high93.9Very high86 Ų8672.7 Ų72.740%0.40236%0.361SS..Hα-helixtrans-61.7-47.2171.9-66.9-59.1-18.100111.1E15 Y16 N21 S22 C23 W35E15-Q19 WeakPolarHBondContact O-CG 3.35Å; E15-Q19 PolarHBondContact O-N 2.86Å; Y16-Q19 PolarHBondContact O-N 3.09Å; Q19-N21 VanDerWaalsContact C-N 3.34Å; Q19-N21 PolarHBondContact O-N 2.96Å; Q19-S22 WeakPolarHBondContact O-CB 3.43Å; Q19-S22 PolarHBondContact O-N 3.23Å; Q19-S22 VanDerWaalsContact O-N 3.16Å; Q19-C23 PolarHBondContact O-N 2.81Å; Q19-C23 PolarHBondContact O-SG 3.34Å; Q19-W35 HydrophobicContact CB-CB 4.38Å; Q19-W35 HydrophobicContact CB-CD2 3.72Å; Q19-W35 HydrophobicContact CB-CE3 4.14Å; Q19-W35 HydrophobicContact CB-CG 3.85Å; Q19-W35 HydrophobicContact CB-CZ2 4.48Å
20G97.9Very high95.6Very high0 Ų068.5 Ų68.50%035%0.345CS..Hα-helixtrans-59.5-43175.800000112.8Y16 K17 S22 C23 Y24 A32 Y36Y16-G20 PolarHBondContact O-N 3.24Å; K17-G20 PolarHBondContact O-N 3.48Å; G20-S22 VanDerWaalsContact C-N 3.33Å; G20-S22 PolarHBondContact O-N 3.22Å; G20-C23 PolarHBondContact O-N 3.32Å; G20-Y24 WeakPolarHBondContact O-CB 3.33Å; G20-Y24 PolarHBondContact O-N 3.23Å; G20-A32 WeakPolarHBondContact O-CB 3.47Å; G20-Y36 PolarHBondContact O-OH 2.94Å
21N97.9Very high96.6Very high42 Ų4266 Ų6623%0.22533%0.333CS..Hα-helixtrans-63.2-38.4176.1-70.7-20.5000112.1K17 N18 Q19 Y24 K25 Y36 N52K17-N21 WeakPolarHBondContact O-CB 3.35Å; K17-N21 PolarHBondContact O-N 2.83Å; K17-N21 PolarHBondContact O-ND2 3.39Å; K17-N21 PolarHBondContact O-OD1 3.44Å; N18-N21 PolarHBondContact O-N 3.27Å; Q19-N21 VanDerWaalsContact C-N 3.34Å; Q19-N21 PolarHBondContact O-N 2.96Å; N21-Y24 PolarHBondContact O-N 3.04Å; N21-K25 WeakPolarHBondContact O-CG 3.11Å; N21-K25 PolarHBondContact O-N 3.37Å; N21-Y36 WeakPolarHBondContact CA-OH 3.23Å; N21-Y36 PolarHBondContact N-OH 3.48Å; N21-Y36 PolarHBondContact OD1-OH 2.7Å; N21-N52 PolarHBondContact OD1-ND2 3.11Å
22S98.3Very high97.2Very high49 Ų4963.3 Ų63.334%0.34332%0.319SS..Hα-helixtrans-64-50.4175.8-172.20000111N18 Q19 G20 Y24 K25 Q26N18-S22 WeakPolarHBondContact O-CB 3.23Å; N18-S22 PolarHBondContact O-N 2.91Å; Q19-S22 WeakPolarHBondContact O-CB 3.43Å; Q19-S22 PolarHBondContact O-N 3.23Å; Q19-S22 VanDerWaalsContact O-N 3.16Å; G20-S22 VanDerWaalsContact C-N 3.33Å; G20-S22 PolarHBondContact O-N 3.22Å; S22-Y24 VanDerWaalsContact C-N 3.31Å; S22-Y24 PolarHBondContact O-N 3.5Å; S22-K25 PolarHBondContact O-N 3.13Å; S22-Q26 WeakPolarHBondContact O-CG 3.44Å; S22-Q26 PolarHBondContact O-N 3.28Å; S22-Q26 VanDerWaalsContact O-N 3.15Å; S22-Q26 PolarHBondContact OG-NE2 3.12Å; S22-Q26 VanDerWaalsContact OG-NE2 3.16Å
23C98.2Very high97.5Very high11 Ų1161.4 Ų61.47%0.07430%0.304CS..Hα-helixtrans-58-43.3175-67.60000111.8Q19 G20 K25 Q26 G27 M28 E31 A32Q19-C23 PolarHBondContact O-N 2.81Å; Q19-C23 PolarHBondContact O-SG 3.34Å; G20-C23 PolarHBondContact O-N 3.32Å; C23-K25 PolarHBondContact O-N 2.82Å; C23-Q26 CarbonylContact O-C 3.6Å; C23-Q26 PolarHBondContact O-N 2.63Å; C23-Q26 VanDerWaalsContact O-N 3.14Å; C23-G27 PolarHBondContact O-N 3.34Å; C23-M28 HydrophobicContact CB-CB 4.14Å; C23-M28 HydrophobicContact CB-CE 4.26Å; C23-M28 PolarHBondContact O-N 2.71Å; C23-E31 HydrophobicContact CB-CB 4.16Å; C23-A32 HydrophobicContact CB-CB 3.87Å
24Y98.3Very high97.7Very high73 Ų7362.2 Ų62.229%0.28631%0.314SS..Hα-helixtrans-60.1-46.2178.4-174.7-83.3000112G20 N21 S22 Q26 G27 Y29 A55 A56 M59G20-Y24 WeakPolarHBondContact O-CB 3.33Å; G20-Y24 PolarHBondContact O-N 3.23Å; N21-Y24 PolarHBondContact O-N 3.04Å; S22-Y24 VanDerWaalsContact C-N 3.31Å; S22-Y24 PolarHBondContact O-N 3.5Å; Y24-Q26 PolarHBondContact O-N 3.25Å; Y24-G27 PolarHBondContact O-N 3.49Å; Y24-Y29 AromaticContact CD2-CD1 3.79Å; Y24-Y29 HydrophobicContact CD2-CD1 3.79Å; Y24-Y29 HydrophobicContact CD2-CE1 4.01Å; Y24-Y29 AromaticContact CE2-CD1 3.92Å; Y24-Y29 HydrophobicContact CE2-CD1 3.92Å; Y24-Y29 AromaticContact CE2-CE1 3.92Å; Y24-Y29 HydrophobicContact CE2-CE1 3.92Å; Y24-Y29 HydrophobicContact CG-CD1 4.42Å; Y24-Y29 HydrophobicContact CG-CE1 4.38Å; Y24-A55 HydrophobicContact CE2-CB 3.69Å; Y24-A56 HydrophobicContact CD2-CB 3.98Å; Y24-A56 HydrophobicContact CE2-CB 4.18Å; Y24-M59 HydrophobicContact CE2-CG 4.04Å
25K98Very high97.9Very high183 Ų18361 Ų6180%0.79631%0.306SS*.Hα-helixtrans-63.1-28.4177.4-74.1175.2-177.7179.80112.8N21 S22 C23 G27N21-K25 WeakPolarHBondContact O-CG 3.11Å; N21-K25 PolarHBondContact O-N 3.37Å; S22-K25 PolarHBondContact O-N 3.13Å; C23-K25 PolarHBondContact O-N 2.82Å; K25-G27 VanDerWaalsContact C-N 3.3Å
26Q98Very high98Very high123 Ų12356.8 Ų56.858%0.57529%0.286SS*.THydrogen-bonded Turntrans-84.60.6176.7-65.9175.838.900113.2S22 C23 Y24 M28S22-Q26 WeakPolarHBondContact O-CG 3.44Å; S22-Q26 PolarHBondContact O-N 3.28Å; S22-Q26 VanDerWaalsContact O-N 3.15Å; S22-Q26 PolarHBondContact OG-NE2 3.12Å; S22-Q26 VanDerWaalsContact OG-NE2 3.16Å; C23-Q26 CarbonylContact O-C 3.6Å; C23-Q26 PolarHBondContact O-N 2.63Å; C23-Q26 VanDerWaalsContact O-N 3.14Å; Y24-Q26 PolarHBondContact O-N 3.25Å; Q26-M28 HydrophobicContact CB-CE 3.91Å; Q26-M28 HydrophobicContact CB-CG 4.34Å; Q26-M28 HydrophobicContact CG-CE 4.44Å; Q26-M28 PolarHBondContact O-N 3.41Å
27G97.5Very high98.1Very high35 Ų3557.4 Ų57.436%0.36129%0.293SS..THydrogen-bonded Turntrans77.35.8-176.800000114.5C23 Y24 K25 Y29C23-G27 PolarHBondContact O-N 3.34Å; Y24-G27 PolarHBondContact O-N 3.49Å; K25-G27 VanDerWaalsContact C-N 3.3Å; G27-Y29 VanDerWaalsContact C-N 3.3Å; G27-Y29 WeakPolarHBondContact O-CD2 3.42Å; G27-Y29 WeakPolarHBondContact O-CE2 3.41Å; G27-Y29 PolarHBondContact O-N 3.16Å; G27-Y29 VanDerWaalsContact O-N 3.08Å
28M98.2Very high98.1Very high68 Ų6860.2 Ų60.234%0.33531%0.305SS..  trans-84.770.6177.7-64.1-171.6-58.700109.9C23 Q26 E31 A32C23-M28 HydrophobicContact CB-CB 4.14Å; C23-M28 HydrophobicContact CB-CE 4.26Å; C23-M28 PolarHBondContact O-N 2.71Å; Q26-M28 HydrophobicContact CB-CE 3.91Å; Q26-M28 HydrophobicContact CB-CG 4.34Å; Q26-M28 HydrophobicContact CG-CE 4.44Å; Q26-M28 PolarHBondContact O-N 3.41Å; M28-E31 VanDerWaalsContact C-OE2 3.29Å; M28-E31 WeakPolarHBondContact CA-OE2 3.45Å; M28-E31 HydrophobicContact CB-CB 4.15Å; M28-E31 HydrophobicContact CB-CG 4.31Å; M28-E31 WeakPolarHBondContact CB-OE2 3.4Å; M28-A32 WeakPolarHBondContact O-CB 3.46Å; M28-A32 PolarHBondContact O-N 3.02Å
29Y98.3Very high98.1Very high58 Ų5856.6 Ų56.623%0.22729%0.285CS..Hα-helixtrans-71.4-33.9-170-56.2-59.3000113.8Y24 G27 A32 I33 M59 I60Y24-Y29 AromaticContact CD2-CD1 3.79Å; Y24-Y29 HydrophobicContact CD2-CD1 3.79Å; Y24-Y29 HydrophobicContact CD2-CE1 4.01Å; Y24-Y29 AromaticContact CE2-CD1 3.92Å; Y24-Y29 HydrophobicContact CE2-CD1 3.92Å; Y24-Y29 AromaticContact CE2-CE1 3.92Å; Y24-Y29 HydrophobicContact CE2-CE1 3.92Å; Y24-Y29 HydrophobicContact CG-CD1 4.42Å; Y24-Y29 HydrophobicContact CG-CE1 4.38Å; G27-Y29 VanDerWaalsContact C-N 3.3Å; G27-Y29 WeakPolarHBondContact O-CD2 3.42Å; G27-Y29 WeakPolarHBondContact O-CE2 3.41Å; G27-Y29 PolarHBondContact O-N 3.16Å; G27-Y29 VanDerWaalsContact O-N 3.08Å; Y29-A32 PolarHBondContact O-N 3.01Å; Y29-I33 WeakPolarHBondContact O-CD1 3.43Å; Y29-I33 VanDerWaalsContact O-CG1 3.23Å; Y29-I33 WeakPolarHBondContact O-CG1 3.35Å; Y29-I33 PolarHBondContact O-N 3.11Å; Y29-M59 HydrophobicContact CD1-CB 3.7Å; Y29-M59 HydrophobicContact CD1-CG 3.98Å; Y29-M59 HydrophobicContact CD2-CB 3.65Å; Y29-M59 HydrophobicContact CE1-CB 3.67Å; Y29-M59 HydrophobicContact CE1-CE 4.49Å; Y29-M59 HydrophobicContact CE1-CG 3.6Å; Y29-M59 HydrophobicContact CE2-CB 3.63Å; Y29-M59 HydrophobicContact CE2-CE 4.27Å; Y29-M59 HydrophobicContact CE2-CG 4.3Å; Y29-M59 HydrophobicContact CG-CB 3.7Å; Y29-M59 HydrophobicContact CG-CG 4.49Å; Y29-M59 WeakPolarHBondContact OH-CE 3.4Å; Y29-I60 HydrophobicContact CD2-CG2 4.07Å; Y29-I60 HydrophobicContact CG-CG2 4.2Å
30N98.3Very high98.1Very high101 Ų10153 Ų5354%0.5427%0.269SS..Hα-helixtrans-67.2-41.3177.6-70.8-53.8000110.8I33 A34N30-I33 WeakPolarHBondContact O-CB 3.2Å; N30-I33 PolarHBondContact O-N 2.83Å; N30-A34 PolarHBondContact O-N 3.46Å
31E98.1Very high98Very high93 Ų9359 Ų5944%0.43530%0.301SS..Hα-helixtrans-65.5-42.5174.8-63.274.5-169.500110.4C23 M28 I33 A34 W35C23-E31 HydrophobicContact CB-CB 4.16Å; M28-E31 VanDerWaalsContact C-OE2 3.29Å; M28-E31 WeakPolarHBondContact CA-OE2 3.45Å; M28-E31 HydrophobicContact CB-CB 4.15Å; M28-E31 HydrophobicContact CB-CG 4.31Å; M28-E31 WeakPolarHBondContact CB-OE2 3.4Å; E31-I33 VanDerWaalsContact C-N 3.34Å; E31-I33 PolarHBondContact O-N 3.37Å; E31-A34 WeakPolarHBondContact O-CB 3.37Å; E31-A34 PolarHBondContact O-N 2.99Å; E31-W35 PolarHBondContact O-N 3.04Å
32A98.6Very high97.9Very high0 Ų060.4 Ų60.40%031%0.308CS..Hα-helixtrans-58-46.3173.800000111.6G20 C23 M28 Y29 A34 W35 Y36 A56G20-A32 WeakPolarHBondContact O-CB 3.47Å; C23-A32 HydrophobicContact CB-CB 3.87Å; M28-A32 WeakPolarHBondContact O-CB 3.46Å; M28-A32 PolarHBondContact O-N 3.02Å; Y29-A32 PolarHBondContact O-N 3.01Å; A32-A34 VanDerWaalsContact C-N 3.31Å; A32-A34 PolarHBondContact O-N 3.11Å; A32-W35 PolarHBondContact O-N 2.97Å; A32-Y36 HydrophobicContact CB-CD2 4.42Å; A32-Y36 HydrophobicContact CB-CE2 3.84Å; A32-Y36 WeakPolarHBondContact O-CD2 3.17Å; A32-Y36 VanDerWaalsContact O-CG 3.25Å; A32-Y36 PolarHBondContact O-N 3.39Å; A32-A56 HydrophobicContact CB-CB 4.47Å
33I98.6Very high97.8Very high18 Ų1860.1 Ų60.19%0.09230%0.302CS..Hα-helixtrans-58-43.2175.6-70.8160.1000111.1Y29 N30 E31 Y36 T37 R53 A56 Y57 I60Y29-I33 WeakPolarHBondContact O-CD1 3.43Å; Y29-I33 VanDerWaalsContact O-CG1 3.23Å; Y29-I33 WeakPolarHBondContact O-CG1 3.35Å; Y29-I33 PolarHBondContact O-N 3.11Å; N30-I33 WeakPolarHBondContact O-CB 3.2Å; N30-I33 PolarHBondContact O-N 2.83Å; E31-I33 VanDerWaalsContact C-N 3.34Å; E31-I33 PolarHBondContact O-N 3.37Å; I33-Y36 PolarHBondContact O-N 2.95Å; I33-T37 WeakPolarHBondContact O-CB 3.28Å; I33-T37 PolarHBondContact O-N 2.83Å; I33-T37 PolarHBondContact O-OG1 2.96Å; I33-R53 HydrophobicContact CB-CG 4.43Å; I33-R53 HydrophobicContact CG1-CG 4.22Å; I33-R53 HydrophobicContact CG2-CG 4.17Å; I33-A56 HydrophobicContact CD1-CB 4.06Å; I33-A56 HydrophobicContact CG1-CB 3.53Å; I33-Y57 HydrophobicContact CD1-CD1 3.61Å; I33-Y57 HydrophobicContact CD1-CE1 3.7Å; I33-Y57 HydrophobicContact CD1-CG 4.32Å; I33-Y57 HydrophobicContact CG1-CD1 4.3Å; I33-Y57 HydrophobicContact CG1-CE1 4.18Å; I33-Y57 HydrophobicContact CG2-CE1 3.93Å; I33-I60 HydrophobicContact CD1-CD1 3.48Å; I33-I60 VanDerWaalsContact CD1-CD1 3.48Å; I33-I60 HydrophobicContact CD1-CG1 4.28Å
34A98.2Very high97.7Very high48 Ų4862.7 Ų62.740%0.39732%0.32SS..Hα-helixtrans-62.6-44.6178.300000111.8N30 E31 A32 T37 K38N30-A34 PolarHBondContact O-N 3.46Å; E31-A34 WeakPolarHBondContact O-CB 3.37Å; E31-A34 PolarHBondContact O-N 2.99Å; A32-A34 VanDerWaalsContact C-N 3.31Å; A32-A34 PolarHBondContact O-N 3.11Å; A34-T37 PolarHBondContact O-N 3.08Å; A34-K38 WeakPolarHBondContact O-CG 3.37Å; A34-K38 PolarHBondContact O-N 3.41Å
35W98.3Very high97.6Very high65 Ų6563.5 Ų63.525%0.24633%0.333CS..Hα-helixtrans-64.8-45176.8-72.7122.6000113.1L11 Y16 Q19 E31 A32 T37 K38 G39L11-W35 HydrophobicContact CD1-CZ3 4.19Å; Y16-W35 AromaticContact CD1-CE3 3.69Å; Y16-W35 HydrophobicContact CD1-CE3 3.69Å; Y16-W35 AromaticContact CD1-CZ3 3.9Å; Y16-W35 HydrophobicContact CD1-CZ3 3.9Å; Y16-W35 HydrophobicContact CE1-CE3 4.06Å; Y16-W35 AromaticContact CE1-CZ3 3.85Å; Y16-W35 HydrophobicContact CE1-CZ3 3.85Å; Q19-W35 HydrophobicContact CB-CB 4.38Å; Q19-W35 HydrophobicContact CB-CD2 3.72Å; Q19-W35 HydrophobicContact CB-CE3 4.14Å; Q19-W35 HydrophobicContact CB-CG 3.85Å; Q19-W35 HydrophobicContact CB-CZ2 4.48Å; E31-W35 PolarHBondContact O-N 3.04Å; A32-W35 PolarHBondContact O-N 2.97Å; W35-T37 VanDerWaalsContact C-N 3.27Å; W35-T37 PolarHBondContact O-N 3Å; W35-K38 HydrophobicContact CE3-CD 3.92Å; W35-K38 HydrophobicContact CZ3-CD 4.09Å; W35-K38 PolarHBondContact O-N 2.79Å; W35-G39 PolarHBondContact O-N 2.88Å; W35-G39 VanDerWaalsContact O-N 3.15Å
36Y98.3Very high97.5Very high2 Ų256 Ų561%0.00830%0.302CS..Hα-helixtrans-63.2-36.8176.1-59.1-45.7000112G20 N21 A32 I33 G39 I40 L49 N52 R53 A56G20-Y36 PolarHBondContact O-OH 2.94Å; N21-Y36 WeakPolarHBondContact CA-OH 3.23Å; N21-Y36 PolarHBondContact N-OH 3.48Å; N21-Y36 PolarHBondContact OD1-OH 2.7Å; A32-Y36 HydrophobicContact CB-CD2 4.42Å; A32-Y36 HydrophobicContact CB-CE2 3.84Å; A32-Y36 WeakPolarHBondContact O-CD2 3.17Å; A32-Y36 VanDerWaalsContact O-CG 3.25Å; A32-Y36 PolarHBondContact O-N 3.39Å; I33-Y36 PolarHBondContact O-N 2.95Å; Y36-G39 PolarHBondContact O-N 3.08Å; Y36-I40 WeakPolarHBondContact O-CG1 3.44Å; Y36-I40 PolarHBondContact O-N 3.36Å; Y36-L49 HydrophobicContact CD1-CD2 3.87Å; Y36-N52 HydrophobicContact CD1-CB 4.13Å; Y36-N52 HydrophobicContact CD2-CB 4.33Å; Y36-N52 HydrophobicContact CE1-CB 3.67Å; Y36-N52 HydrophobicContact CE2-CB 3.91Å; Y36-N52 HydrophobicContact CG-CB 4.44Å; Y36-R53 HydrophobicContact CD2-CB 3.85Å; Y36-R53 HydrophobicContact CD2-CG 4.26Å; Y36-R53 HydrophobicContact CG-CB 4.17Å; Y36-A56 HydrophobicContact CE2-CB 4.36Å
37T98.1Very high97.4Very high39 Ų3951.1 Ų51.124%0.23928%0.28CS..Hα-helixtrans-62.3-47.1176.8-590000111.2I33 A34 W35 G39 I40 D41 R53I33-T37 WeakPolarHBondContact O-CB 3.28Å; I33-T37 PolarHBondContact O-N 2.83Å; I33-T37 PolarHBondContact O-OG1 2.96Å; A34-T37 PolarHBondContact O-N 3.08Å; W35-T37 VanDerWaalsContact C-N 3.27Å; W35-T37 PolarHBondContact O-N 3Å; T37-G39 PolarHBondContact O-N 2.62Å; T37-I40 PolarHBondContact O-N 2.81Å; T37-D41 PolarHBondContact O-N 2.98Å; T37-R53 WeakPolarHBondContact OG1-CD 3.31Å; T37-R53 PolarHBondContact OG1-NH1 3.08Å
38K97.5Very high97.3Very high94 Ų9454.9 Ų54.941%0.40929%0.287SS..Hα-helixtrans-56.3-39.3173.9-68.4176.5-175.7179.10112.6Y16 A34 W35 I42Y16-K38 HydrophobicContact CD1-CB 3.83Å; Y16-K38 HydrophobicContact CD1-CD 4.27Å; Y16-K38 HydrophobicContact CE1-CB 3.8Å; Y16-K38 HydrophobicContact CE1-CD 3.8Å; Y16-K38 HydrophobicContact CE1-CG 4.44Å; Y16-K38 HydrophobicContact CG-CB 4.26Å; A34-K38 WeakPolarHBondContact O-CG 3.37Å; A34-K38 PolarHBondContact O-N 3.41Å; W35-K38 HydrophobicContact CE3-CD 3.92Å; W35-K38 HydrophobicContact CZ3-CD 4.09Å; W35-K38 PolarHBondContact O-N 2.79Å; K38-I42 WeakPolarHBondContact O-CG1 3.24Å
39G97.3Very high97.3Very high0 Ų051.7 Ų51.70%027%0.271CS..Hα-helixtrans-65.3-40.9174.600000113.2W35 Y36 T37 D41 I42 D43W35-G39 PolarHBondContact O-N 2.88Å; W35-G39 VanDerWaalsContact O-N 3.15Å; Y36-G39 PolarHBondContact O-N 3.08Å; T37-G39 PolarHBondContact O-N 2.62Å; G39-D41 VanDerWaalsContact C-N 3.34Å; G39-I42 PolarHBondContact O-N 2.99Å; G39-D43 PolarHBondContact O-N 2.73Å
40I97.6Very high97.3Very high10 Ų1050.1 Ų50.15%0.05127%0.265CS..Hα-helixtrans-68.2-35.2178.9-71.1163.7000111.3Y36 T37 I42 D43 S44 L49 Y50Y36-I40 WeakPolarHBondContact O-CG1 3.44Å; Y36-I40 PolarHBondContact O-N 3.36Å; T37-I40 PolarHBondContact O-N 2.81Å; I40-I42 PolarHBondContact O-N 3.32Å; I40-D43 CarbonylContact O-C 3.27Å; I40-D43 VanDerWaalsContact O-C 3.23Å; I40-D43 PolarHBondContact O-N 3Å; I40-S44 WeakPolarHBondContact O-CA 3.47Å; I40-S44 PolarHBondContact O-N 3.1Å; I40-S44 VanDerWaalsContact O-N 3.12Å; I40-L49 HydrophobicContact CD1-CB 4.11Å; I40-L49 HydrophobicContact CG1-CB 3.64Å; I40-L49 HydrophobicContact CG1-CD1 4.19Å; I40-Y50 HydrophobicContact CD1-CD1 3.88Å; I40-Y50 HydrophobicContact CD1-CE1 3.98Å; I40-Y50 HydrophobicContact CD1-CG 4.22Å; I40-Y50 HydrophobicContact CG1-CE1 4.45Å; I40-Y50 HydrophobicContact CG1-CE2 4.47Å; I40-Y50 HydrophobicContact CG2-CE1 3.95Å; I40-Y50 HydrophobicContact CG2-CE2 4.26Å; I40-Y50 WeakPolarHBondContact CG2-OH 3.18Å
41D96.6Very high97.3Very high126 Ų12645.6 Ų45.667%0.67424%0.241SC*.Hα-helixtrans-63.2-25.3176.8-64.3-24.2000111.7T37 G39T37-D41 PolarHBondContact O-N 2.98Å; G39-D41 VanDerWaalsContact C-N 3.34Å
42I95.6Very high97.3Very high73 Ų7342.8 Ų42.837%0.37423%0.229SC..Hα-helixtrans-90.4-46.6175.9-61.9172.2000111.4Q10 V13 Y16 K38 G39 I40Q10-I42 HydrophobicContact CG-CD1 4.01Å; Q10-I42 VanDerWaalsContact NE2-CD1 3.31Å; V13-I42 HydrophobicContact CG2-CB 4.03Å; V13-I42 HydrophobicContact CG2-CG2 3.53Å; Y16-I42 HydrophobicContact CD2-CD1 3.67Å; Y16-I42 HydrophobicContact CE2-CD1 3.18Å; K38-I42 WeakPolarHBondContact O-CG1 3.24Å; G39-I42 PolarHBondContact O-N 2.99Å; I40-I42 PolarHBondContact O-N 3.32Å
43D95.3Very high97.3Very high43 Ų4344.1 Ų44.123%0.2323%0.234CC..  trans-127.692.2177.8176.413.4000111.1V13 G39 I40 T45 N46V13-D43 HydrophobicContact CG1-CB 4.1Å; V13-D43 HydrophobicContact CG2-CB 3.85Å; G39-D43 PolarHBondContact O-N 2.73Å; I40-D43 CarbonylContact O-C 3.27Å; I40-D43 VanDerWaalsContact O-C 3.23Å; I40-D43 PolarHBondContact O-N 3Å; D43-T45 PolarHBondContact O-N 3.08Å; D43-T45 WeakPolarHBondContact OD1-CA 3.49Å; D43-T45 WeakPolarHBondContact OD1-CB 3.43Å; D43-T45 PolarHBondContact OD1-N 2.62Å; D43-T45 PolarHBondContact OD1-OG1 3.5Å; D43-N46 HydrophobicContact CB-CB 4.39Å; D43-N46 PolarHBondContact O-N 2.99Å; D43-N46 PolarHBondContact OD1-N 3.21Å; D43-N46 WeakPolarHBondContact OD2-CB 3.13Å; D43-N46 PolarHBondContact OD2-ND2 2.99Å
44S95.9Very high97.3Very high65 Ų6543.2 Ų43.246%0.45523%0.229SC..THydrogen-bonded Turntrans-73.82.4178.268.50000114.5I40 Y50I40-S44 WeakPolarHBondContact O-CA 3.47Å; I40-S44 PolarHBondContact O-N 3.1Å; I40-S44 VanDerWaalsContact O-N 3.12Å; S44-Y50 WeakPolarHBondContact O-CE2 2.82Å; S44-Y50 PolarHBondContact O-OH 3.07Å
45T96.4Very high97.3Very high89 Ų8941.3 Ų41.355%0.54621%0.213SC..THydrogen-bonded Turntrans-106-1.7176.468.60000112.9D43 V47D43-T45 PolarHBondContact O-N 3.08Å; D43-T45 WeakPolarHBondContact OD1-CA 3.49Å; D43-T45 WeakPolarHBondContact OD1-CB 3.43Å; D43-T45 PolarHBondContact OD1-N 2.62Å; D43-T45 PolarHBondContact OD1-OG1 3.5Å; T45-V47 PolarHBondContact O-N 2.86Å
46N95.9Very high97.3Very high26 Ų2638.2 Ų38.214%0.13920%0.201CC..  trans-73.6101.5-176.8-157.5-65.1000113.1D43 F48 L49 Y50D43-N46 HydrophobicContact CB-CB 4.39Å; D43-N46 PolarHBondContact O-N 2.99Å; D43-N46 PolarHBondContact OD1-N 3.21Å; D43-N46 WeakPolarHBondContact OD2-CB 3.13Å; D43-N46 PolarHBondContact OD2-ND2 2.99Å; N46-F48 PolarHBondContact O-N 3.3Å; N46-F48 PolarHBondContact OD1-N 2.76Å; N46-L49 HydrophobicContact CB-CB 4.17Å; N46-L49 HydrophobicContact CB-CD1 3.8Å; N46-L49 HydrophobicContact CB-CG 4.08Å; N46-L49 PolarHBondContact O-N 2.95Å; N46-L49 PolarHBondContact OD1-N 3.28Å; N46-Y50 WeakPolarHBondContact O-CD2 3.46Å; N46-Y50 PolarHBondContact O-N 2.86Å
47V97.2Very high97.3Very high21 Ų2140 Ų4013%0.12721%0.208CC..Hα-helixtrans-53.2-40.6179-179.10000112.3T45 N51 S73 L76 D77 N80T45-V47 PolarHBondContact O-N 2.86Å; V47-N51 WeakPolarHBondContact O-CB 3.4Å; V47-N51 PolarHBondContact O-N 3.3Å; V47-N51 VanDerWaalsContact O-N 3.08Å; V47-S73 VanDerWaalsContact CG1-OG 3.23Å; V47-S73 WeakPolarHBondContact CG1-OG 3.45Å; V47-S73 PolarHBondContact O-OG 2.88Å; V47-L76 HydrophobicContact CG2-CB 3.71Å; V47-D77 HydrophobicContact CG1-CB 4.03Å; V47-D77 HydrophobicContact CG2-CB 3.67Å; V47-N80 HydrophobicContact CG1-CB 4.39Å; V47-N80 VanDerWaalsContact CG1-ND2 3.29Å; V47-N80 WeakPolarHBondContact CG1-ND2 3.49Å
48F96Very high97.2Very high114 Ų11440 Ų4050%0.521%0.207SC..Hα-helixtrans-72.6-36.1-173.6-58.1-72.7000112.7K17 N46 N51 N52K17-F48 HydrophobicContact CD-CB 4.38Å; N46-F48 PolarHBondContact O-N 3.3Å; N46-F48 PolarHBondContact OD1-N 2.76Å; F48-N51 PolarHBondContact O-N 2.97Å; F48-N52 WeakPolarHBondContact O-CB 3.38Å; F48-N52 PolarHBondContact O-N 3.43Å; F48-N52 PolarHBondContact O-OD1 3.28Å
49L97.7Very high97.2Very high0 Ų040 Ų400%021%0.21CC..Hα-helixtrans-66-46.5178.1-74174.3000111.8V13 K17 Y36 I40 N46 N51 N52 R53V13-L49 HydrophobicContact CG1-CD1 3.71Å; K17-L49 HydrophobicContact CB-CD2 3.72Å; K17-L49 HydrophobicContact CG-CD2 3.85Å; Y36-L49 HydrophobicContact CD1-CD2 3.87Å; I40-L49 HydrophobicContact CD1-CB 4.11Å; I40-L49 HydrophobicContact CG1-CB 3.64Å; I40-L49 HydrophobicContact CG1-CD1 4.19Å; N46-L49 HydrophobicContact CB-CB 4.17Å; N46-L49 HydrophobicContact CB-CD1 3.8Å; N46-L49 HydrophobicContact CB-CG 4.08Å; N46-L49 PolarHBondContact O-N 2.95Å; N46-L49 PolarHBondContact OD1-N 3.28Å; L49-N51 VanDerWaalsContact C-N 3.35Å; L49-N51 PolarHBondContact O-N 3.2Å; L49-N52 PolarHBondContact O-N 3.35Å; L49-R53 WeakPolarHBondContact O-CB 3.36Å; L49-R53 PolarHBondContact O-N 3.14Å
50Y98.4Very high97.2Very high25 Ų2542.1 Ų42.110%0.09822%0.22CC..Hα-helixtrans-59.5-45.9173.1-74.2-72.8000111.4I40 S44 N46 N52 R53 S54 D69 R72 L76I40-Y50 HydrophobicContact CD1-CD1 3.88Å; I40-Y50 HydrophobicContact CD1-CE1 3.98Å; I40-Y50 HydrophobicContact CD1-CG 4.22Å; I40-Y50 HydrophobicContact CG1-CE1 4.45Å; I40-Y50 HydrophobicContact CG1-CE2 4.47Å; I40-Y50 HydrophobicContact CG2-CE1 3.95Å; I40-Y50 HydrophobicContact CG2-CE2 4.26Å; I40-Y50 WeakPolarHBondContact CG2-OH 3.18Å; S44-Y50 WeakPolarHBondContact O-CE2 2.82Å; S44-Y50 PolarHBondContact O-OH 3.07Å; N46-Y50 WeakPolarHBondContact O-CD2 3.46Å; N46-Y50 PolarHBondContact O-N 2.86Å; Y50-N52 VanDerWaalsContact C-N 3.35Å; Y50-N52 PolarHBondContact O-N 3.4Å; Y50-R53 PolarHBondContact O-N 2.94Å; Y50-S54 WeakPolarHBondContact O-CB 3.37Å; Y50-S54 PolarHBondContact O-N 3.14Å; Y50-D69 HydrophobicContact CD1-CB 4.44Å; Y50-R72 HydrophobicContact CD1-CB 4.13Å; Y50-R72 HydrophobicContact CD1-CG 3.83Å; Y50-R72 HydrophobicContact CD2-CG 4Å; Y50-R72 HydrophobicContact CE1-CB 4.34Å; Y50-R72 HydrophobicContact CE1-CG 3.67Å; Y50-R72 HydrophobicContact CE2-CG 3.85Å; Y50-R72 HydrophobicContact CG-CB 4.38Å; Y50-R72 HydrophobicContact CG-CG 3.99Å; Y50-L76 HydrophobicContact CD2-CD1 3.75Å; Y50-L76 HydrophobicContact CE2-CD1 3.81Å
51N97.5Very high97Very high7 Ų747.7 Ų47.74%0.03725%0.25CS..Hα-helixtrans-61.7-42.6177.6-169.729.4000111.4V47 F48 L49 S54 A55 R86V47-N51 WeakPolarHBondContact O-CB 3.4Å; V47-N51 PolarHBondContact O-N 3.3Å; V47-N51 VanDerWaalsContact O-N 3.08Å; F48-N51 PolarHBondContact O-N 2.97Å; L49-N51 VanDerWaalsContact C-N 3.35Å; L49-N51 PolarHBondContact O-N 3.2Å; N51-S54 WeakPolarHBondContact O-CB 3.27Å; N51-S54 PolarHBondContact O-N 3.19Å; N51-A55 PolarHBondContact O-N 3.17Å; N51-R86 PolarHBondContact O-NH1 3.43Å; N51-R86 PolarHBondContact OD1-NH1 2.8Å
52N97.9Very high97Very high33 Ų3346.4 Ų46.418%0.17624%0.239CC..Hα-helixtrans-69.8-38.8-179.6-69.7-1.4000112.3N21 Y36 F48 L49 Y50 A55 A56N21-N52 PolarHBondContact OD1-ND2 3.11Å; Y36-N52 HydrophobicContact CD1-CB 4.13Å; Y36-N52 HydrophobicContact CD2-CB 4.33Å; Y36-N52 HydrophobicContact CE1-CB 3.67Å; Y36-N52 HydrophobicContact CE2-CB 3.91Å; Y36-N52 HydrophobicContact CG-CB 4.44Å; F48-N52 WeakPolarHBondContact O-CB 3.38Å; F48-N52 PolarHBondContact O-N 3.43Å; F48-N52 PolarHBondContact O-OD1 3.28Å; L49-N52 PolarHBondContact O-N 3.35Å; Y50-N52 VanDerWaalsContact C-N 3.35Å; Y50-N52 PolarHBondContact O-N 3.4Å; N52-A55 WeakPolarHBondContact O-CA 3.33Å; N52-A55 WeakPolarHBondContact O-CB 3.43Å; N52-A55 PolarHBondContact O-N 3.32Å; N52-A56 PolarHBondContact O-N 3.12Å; N52-A56 VanDerWaalsContact O-N 3.16Å
53R98.5Very high97Very high28 Ų2843.6 Ų43.611%0.10623%0.225CC..Hα-helixtrans-67.4-38.4176.1-164.6173.767.9179.7-1.2112.2I33 Y36 T37 L49 Y50 A55 A56 Y57 D69I33-R53 HydrophobicContact CB-CG 4.43Å; I33-R53 HydrophobicContact CG1-CG 4.22Å; I33-R53 HydrophobicContact CG2-CG 4.17Å; Y36-R53 HydrophobicContact CD2-CB 3.85Å; Y36-R53 HydrophobicContact CD2-CG 4.26Å; Y36-R53 HydrophobicContact CG-CB 4.17Å; T37-R53 WeakPolarHBondContact OG1-CD 3.31Å; T37-R53 PolarHBondContact OG1-NH1 3.08Å; L49-R53 WeakPolarHBondContact O-CB 3.36Å; L49-R53 PolarHBondContact O-N 3.14Å; Y50-R53 PolarHBondContact O-N 2.94Å; R53-A55 PolarHBondContact O-N 3.15Å; R53-A56 PolarHBondContact O-N 3.02Å; R53-A56 VanDerWaalsContact O-N 3.14Å; R53-Y57 HydrophobicContact CG-CD2 4.09Å; R53-Y57 HydrophobicContact CG-CE2 3.62Å; R53-Y57 VanDerWaalsContact O-CD2 3.28Å; R53-Y57 WeakPolarHBondContact O-CD2 3.47Å; R53-Y57 PolarHBondContact O-N 3.09Å; R53-D69 WeakPolarHBondContact CB-OD2 3.45Å; R53-D69 WeakPolarHBondContact CG-OD2 3.44Å; R53-D69 IonicContact CZ-OD1 2.6Å; R53-D69 IonicContact CZ-OD2 3.67Å; R53-D69 IonicContact NE-OD1 3.85Å; R53-D69 IonicContact NE-OD2 3.67Å; R53-D69 PolarHBondContact NE-OD2 3.35Å; R53-D69 IonicContact NH2-OD1 3.49Å; R53-D69 PolarHBondContact NH2-OD1 2.99Å; R53-D69 IonicContact NH2-OD2 2.8Å; R53-D69 PolarHBondContact NH2-OD2 2.92Å
54S98.5Very high97Very high0 Ų045.8 Ų45.80%024%0.236CC..Hα-helixtrans-54.6-37.8167.9177.40000112.3Y50 N51 Y57 L58 A66 R86Y50-S54 WeakPolarHBondContact O-CB 3.37Å; Y50-S54 PolarHBondContact O-N 3.14Å; N51-S54 WeakPolarHBondContact O-CB 3.27Å; N51-S54 PolarHBondContact O-N 3.19Å; S54-Y57 PolarHBondContact O-N 3.33Å; S54-L58 PolarHBondContact O-N 3.45Å; S54-L58 VanDerWaalsContact O-N 3.16Å; S54-A66 WeakPolarHBondContact CB-O 3.41Å; S54-A66 WeakPolarHBondContact O-CB 3.48Å; S54-A66 PolarHBondContact OG-O 3.45Å; S54-R86 VanDerWaalsContact OG-CG 3.28Å; S54-R86 WeakPolarHBondContact OG-CG 3.45Å
55A98.1Very high97Very high7 Ų745.3 Ų45.36%0.05823%0.228CC..Hα-helixtrans-63.8-48.9178.200000110.1Y24 N51 N52 R53 Y57 L58 M59Y24-A55 HydrophobicContact CE2-CB 3.69Å; N51-A55 PolarHBondContact O-N 3.17Å; N52-A55 WeakPolarHBondContact O-CA 3.33Å; N52-A55 WeakPolarHBondContact O-CB 3.43Å; N52-A55 PolarHBondContact O-N 3.32Å; R53-A55 PolarHBondContact O-N 3.15Å; A55-Y57 VanDerWaalsContact C-N 3.32Å; A55-Y57 PolarHBondContact O-N 2.93Å; A55-L58 PolarHBondContact O-N 3.22Å; A55-M59 WeakPolarHBondContact O-CG 3.41Å; A55-M59 PolarHBondContact O-N 3.2Å
56A98.4Very high97.1Very high0 Ų041 Ų410%020%0.202CC..Hα-helixtrans-63-39.6-179.200000111.4Y24 A32 I33 Y36 N52 R53 L58 M59 I60Y24-A56 HydrophobicContact CD2-CB 3.98Å; Y24-A56 HydrophobicContact CE2-CB 4.18Å; A32-A56 HydrophobicContact CB-CB 4.47Å; I33-A56 HydrophobicContact CD1-CB 4.06Å; I33-A56 HydrophobicContact CG1-CB 3.53Å; Y36-A56 HydrophobicContact CE2-CB 4.36Å; N52-A56 PolarHBondContact O-N 3.12Å; N52-A56 VanDerWaalsContact O-N 3.16Å; R53-A56 PolarHBondContact O-N 3.02Å; R53-A56 VanDerWaalsContact O-N 3.14Å; A56-L58 PolarHBondContact O-N 2.92Å; A56-M59 PolarHBondContact O-N 3.12Å; A56-I60 PolarHBondContact O-N 3.39Å
57Y98.5Very high97.2Very high39 Ų3942 Ų4215%0.15321%0.205CC..Hα-helixtrans-60.9-39.6174.2-76.6-50.8000113.4I33 R53 S54 A55 M59 I60 N61 K62 D65 D69I33-Y57 HydrophobicContact CD1-CD1 3.61Å; I33-Y57 HydrophobicContact CD1-CE1 3.7Å; I33-Y57 HydrophobicContact CD1-CG 4.32Å; I33-Y57 HydrophobicContact CG1-CD1 4.3Å; I33-Y57 HydrophobicContact CG1-CE1 4.18Å; I33-Y57 HydrophobicContact CG2-CE1 3.93Å; R53-Y57 HydrophobicContact CG-CD2 4.09Å; R53-Y57 HydrophobicContact CG-CE2 3.62Å; R53-Y57 VanDerWaalsContact O-CD2 3.28Å; R53-Y57 WeakPolarHBondContact O-CD2 3.47Å; R53-Y57 PolarHBondContact O-N 3.09Å; S54-Y57 PolarHBondContact O-N 3.33Å; A55-Y57 VanDerWaalsContact C-N 3.32Å; A55-Y57 PolarHBondContact O-N 2.93Å; Y57-M59 VanDerWaalsContact C-N 3.32Å; Y57-M59 PolarHBondContact O-N 3.32Å; Y57-I60 HydrophobicContact CD1-CD1 4.23Å; Y57-I60 WeakPolarHBondContact O-CG1 3.47Å; Y57-I60 PolarHBondContact O-N 3.43Å; Y57-N61 PolarHBondContact O-N 3.19Å; Y57-K62 HydrophobicContact CD1-CB 4.27Å; Y57-K62 HydrophobicContact CD1-CD 4.3Å; Y57-K62 PolarHBondContact O-N 3.03Å; Y57-D65 HydrophobicContact CD1-CB 3.96Å; Y57-D65 HydrophobicContact CD2-CB 4.01Å; Y57-D65 HydrophobicContact CE1-CB 4.14Å; Y57-D65 HydrophobicContact CE2-CB 4.16Å; Y57-D65 HydrophobicContact CG-CB 3.93Å; Y57-D69 WeakPolarHBondContact CE2-OD2 3.48Å
58L97.6Very high97.3Very high39 Ų3946.5 Ų46.520%0.20422%0.222CC..Hα-helixtrans-63-39.1174.2-73.2179000112.2S54 A55 A56 I60 N61 P63 A66 R86 K89 I93S54-L58 PolarHBondContact O-N 3.45Å; S54-L58 VanDerWaalsContact O-N 3.16Å; A55-L58 PolarHBondContact O-N 3.22Å; A56-L58 PolarHBondContact O-N 2.92Å; L58-I60 PolarHBondContact O-N 3.03Å; L58-N61 PolarHBondContact O-N 3Å; L58-N61 VanDerWaalsContact O-N 3.12Å; L58-P63 HydrophobicContact CD2-CB 4.36Å; L58-A66 HydrophobicContact CD2-CB 3.68Å; L58-A66 HydrophobicContact CG-CB 3.66Å; L58-R86 HydrophobicContact CD1-CG 4.44Å; L58-K89 HydrophobicContact CD1-CB 4.47Å; L58-I93 HydrophobicContact CD2-CD1 3.95Å
59M97.3Very high97.4Very high96 Ų9641.6 Ų41.647%0.47320%0.201SC..Hα-helixtrans-66.7-23.8-179.6-63.8-50.3-63.300113.5Y24 Y29 A55 A56 Y57Y24-M59 HydrophobicContact CE2-CG 4.04Å; Y29-M59 HydrophobicContact CD1-CB 3.7Å; Y29-M59 HydrophobicContact CD1-CG 3.98Å; Y29-M59 HydrophobicContact CD2-CB 3.65Å; Y29-M59 HydrophobicContact CE1-CB 3.67Å; Y29-M59 HydrophobicContact CE1-CE 4.49Å; Y29-M59 HydrophobicContact CE1-CG 3.6Å; Y29-M59 HydrophobicContact CE2-CB 3.63Å; Y29-M59 HydrophobicContact CE2-CE 4.27Å; Y29-M59 HydrophobicContact CE2-CG 4.3Å; Y29-M59 HydrophobicContact CG-CB 3.7Å; Y29-M59 HydrophobicContact CG-CG 4.49Å; Y29-M59 WeakPolarHBondContact OH-CE 3.4Å; A55-M59 WeakPolarHBondContact O-CG 3.41Å; A55-M59 PolarHBondContact O-N 3.2Å; A56-M59 PolarHBondContact O-N 3.12Å; Y57-M59 VanDerWaalsContact C-N 3.32Å; Y57-M59 PolarHBondContact O-N 3.32Å
60I96.6Very high97.4Very high43 Ų4341.6 Ų41.622%0.22120%0.201CC..THydrogen-bonded Turntrans-10219.7174.864.8168.7000113.2Y29 I33 A56 Y57 L58 K62Y29-I60 HydrophobicContact CD2-CG2 4.07Å; Y29-I60 HydrophobicContact CG-CG2 4.2Å; I33-I60 HydrophobicContact CD1-CD1 3.48Å; I33-I60 VanDerWaalsContact CD1-CD1 3.48Å; I33-I60 HydrophobicContact CD1-CG1 4.28Å; A56-I60 PolarHBondContact O-N 3.39Å; Y57-I60 HydrophobicContact CD1-CD1 4.23Å; Y57-I60 WeakPolarHBondContact O-CG1 3.47Å; Y57-I60 PolarHBondContact O-N 3.43Å; L58-I60 PolarHBondContact O-N 3.03Å; I60-K62 HydrophobicContact CD1-CD 3.84Å; I60-K62 HydrophobicContact CD1-CG 4.25Å; I60-K62 HydrophobicContact CG1-CB 4.41Å; I60-K62 HydrophobicContact CG1-CD 4.28Å; I60-K62 HydrophobicContact CG1-CG 4.13Å; I60-K62 PolarHBondContact O-N 3.15Å
61N94.1Very high97.4Very high128 Ų12842.5 Ų42.568%0.68421%0.211SC*.THydrogen-bonded Turntrans56.241.9177.9-164.134.7000114.3Y57 L58 P63Y57-N61 PolarHBondContact O-N 3.19Å; L58-N61 PolarHBondContact O-N 3Å; L58-N61 VanDerWaalsContact O-N 3.12Å; N61-P63 WeakPolarHBondContact O-CD 3.36Å
62K95.8Very high97.4Very high99 Ų9947.1 Ų47.143%0.4323%0.228SC..  trans-11368172.3-67.2-170.6-179.3-177.50111.4Y57 I60 L64 D65 A66Y57-K62 HydrophobicContact CD1-CB 4.27Å; Y57-K62 HydrophobicContact CD1-CD 4.3Å; Y57-K62 PolarHBondContact O-N 3.03Å; I60-K62 HydrophobicContact CD1-CD 3.84Å; I60-K62 HydrophobicContact CD1-CG 4.25Å; I60-K62 HydrophobicContact CG1-CB 4.41Å; I60-K62 HydrophobicContact CG1-CD 4.28Å; I60-K62 HydrophobicContact CG1-CG 4.13Å; I60-K62 PolarHBondContact O-N 3.15Å; K62-L64 VanDerWaalsContact C-N 3.29Å; K62-L64 PolarHBondContact O-N 2.81Å; K62-D65 HydrophobicContact CB-CB 4.35Å; K62-D65 PolarHBondContact O-N 3.46Å; K62-A66 PolarHBondContact O-N 3.12Å
63P96.3Very high97.4Very high13 Ų1345.5 Ų45.58%0.08422%0.22CC..Hα-helixtrans-65.7-28.5-171.826.7-35.3000113.8L58 N61 Y67 I93 L94 A159L58-P63 HydrophobicContact CD2-CB 4.36Å; N61-P63 WeakPolarHBondContact O-CD 3.36Å; P63-Y67 WeakPolarHBondContact O-CB 3.28Å; P63-Y67 PolarHBondContact O-N 3.47Å; P63-I93 HydrophobicContact CB-CB 4.3Å; P63-I93 HydrophobicContact CB-CG2 3.66Å; P63-I93 HydrophobicContact CG-CG2 3.87Å; P63-L94 HydrophobicContact CB-CD2 3.97Å; P63-L94 HydrophobicContact CB-CG 4.1Å; P63-L94 HydrophobicContact CG-CD2 3.91Å; P63-A159 HydrophobicContact CG-CB 3.58Å
64L94.8Very high97.4Very high90 Ų9044.7 Ų44.747%0.47122%0.217SC..Hα-helixtrans-69-43.4177.4-176.661.9000112K62 Y67 K68 L94K62-L64 VanDerWaalsContact C-N 3.29Å; K62-L64 PolarHBondContact O-N 2.81Å; L64-Y67 PolarHBondContact O-N 3.06Å; L64-K68 WeakPolarHBondContact O-CG 3.3Å; L64-K68 PolarHBondContact O-N 2.96Å; L64-K68 VanDerWaalsContact O-N 3.09Å; L64-L94 HydrophobicContact CB-CD2 4.43Å
65D96.6Very high97.3Very high54 Ų5448.5 Ų48.529%0.28924%0.244SC..Hα-helixtrans-68.8-38.7176.2-60.2-47.2000110.8Y57 K62 Y67 K68 D69Y57-D65 HydrophobicContact CD1-CB 3.96Å; Y57-D65 HydrophobicContact CD2-CB 4.01Å; Y57-D65 HydrophobicContact CE1-CB 4.14Å; Y57-D65 HydrophobicContact CE2-CB 4.16Å; Y57-D65 HydrophobicContact CG-CB 3.93Å; K62-D65 HydrophobicContact CB-CB 4.35Å; K62-D65 PolarHBondContact O-N 3.46Å; D65-Y67 VanDerWaalsContact C-N 3.32Å; D65-Y67 PolarHBondContact O-N 3.24Å; D65-K68 PolarHBondContact O-N 3.18Å; D65-K68 IonicContact OD1-NZ 3.92Å; D65-K68 PolarHBondContact OD1-NZ 2.89Å; D65-D69 PolarHBondContact O-N 3.18Å
66A98.3Very high97.3Very high0 Ų050.8 Ų50.80%026%0.255CS..Hα-helixtrans-58.8-42.2171.700000112.7S54 L58 K62 A70S54-A66 WeakPolarHBondContact CB-O 3.41Å; S54-A66 WeakPolarHBondContact O-CB 3.48Å; S54-A66 PolarHBondContact OG-O 3.45Å; L58-A66 HydrophobicContact CD2-CB 3.68Å; L58-A66 HydrophobicContact CG-CB 3.66Å; K62-A66 PolarHBondContact O-N 3.12Å; A66-A70 WeakPolarHBondContact O-CB 3.23Å; A66-A70 PolarHBondContact O-N 2.9Å
67Y97.9Very high97.2Very high47 Ų4753.7 Ų53.718%0.18427%0.27CS..Hα-helixtrans-64.7-43.3177.8176.3-106.6000111.9P63 L64 D65 D69 A70 S71 C90 C91 L94 E99P63-Y67 WeakPolarHBondContact O-CB 3.28Å; P63-Y67 PolarHBondContact O-N 3.47Å; L64-Y67 PolarHBondContact O-N 3.06Å; D65-Y67 VanDerWaalsContact C-N 3.32Å; D65-Y67 PolarHBondContact O-N 3.24Å; Y67-D69 VanDerWaalsContact C-N 3.33Å; Y67-D69 PolarHBondContact O-N 3.31Å; Y67-A70 PolarHBondContact O-N 3.43Å; Y67-S71 VanDerWaalsContact O-CB 3.24Å; Y67-S71 WeakPolarHBondContact O-CB 3.38Å; Y67-S71 PolarHBondContact O-N 3.29Å; Y67-C90 HydrophobicContact CD2-CB 4.08Å; Y67-C90 HydrophobicContact CG-CB 4.4Å; Y67-C91 VanDerWaalsContact CE2-SG 3.55Å; Y67-L94 HydrophobicContact CG-CD1 4.14Å; Y67-E99 HydrophobicContact CE2-CG 4.01Å; Y67-E99 WeakPolarHBondContact OH-CG 3.36Å; Y67-E99 PolarHBondContact OH-OE1 2.89Å
68K97.8Very high97.1Very high114 Ų11454.7 Ų54.750%0.49628%0.283SS..Hα-helixtrans-56.8-47.4177.2-70.8171-171.9164.80111.5L64 D65 R72L64-K68 WeakPolarHBondContact O-CG 3.3Å; L64-K68 PolarHBondContact O-N 2.96Å; L64-K68 VanDerWaalsContact O-N 3.09Å; D65-K68 PolarHBondContact O-N 3.18Å; D65-K68 IonicContact OD1-NZ 3.92Å; D65-K68 PolarHBondContact OD1-NZ 2.89Å; K68-R72 WeakPolarHBondContact O-CB 3.45Å; K68-R72 PolarHBondContact O-N 3.42Å
69D98.4Very high97Very high12 Ų1258.8 Ų58.86%0.06430%0.301CS..Hα-helixtrans-68.2-40.9178.2-86.61.3000112.4Y50 R53 Y57 D65 Y67 R72 S73Y50-D69 HydrophobicContact CD1-CB 4.44Å; R53-D69 WeakPolarHBondContact CB-OD2 3.45Å; R53-D69 WeakPolarHBondContact CG-OD2 3.44Å; R53-D69 IonicContact CZ-OD1 2.6Å; R53-D69 IonicContact CZ-OD2 3.67Å; R53-D69 IonicContact NE-OD1 3.85Å; R53-D69 IonicContact NE-OD2 3.67Å; R53-D69 PolarHBondContact NE-OD2 3.35Å; R53-D69 IonicContact NH2-OD1 3.49Å; R53-D69 PolarHBondContact NH2-OD1 2.99Å; R53-D69 IonicContact NH2-OD2 2.8Å; R53-D69 PolarHBondContact NH2-OD2 2.92Å; Y57-D69 WeakPolarHBondContact CE2-OD2 3.48Å; D65-D69 PolarHBondContact O-N 3.18Å; Y67-D69 VanDerWaalsContact C-N 3.33Å; Y67-D69 PolarHBondContact O-N 3.31Å; D69-R72 PolarHBondContact O-N 2.94Å; D69-S73 WeakPolarHBondContact O-CB 3.2Å; D69-S73 PolarHBondContact O-N 3.42Å
70A98.2Very high96.9Very high0 Ų055.3 Ų55.30%028%0.284CS..Hα-helixtrans-62.7-45.4175.800000111.3A66 Y67 R72 S73 I74 R86A66-A70 WeakPolarHBondContact O-CB 3.23Å; A66-A70 PolarHBondContact O-N 2.9Å; Y67-A70 PolarHBondContact O-N 3.43Å; A70-R72 VanDerWaalsContact C-N 3.35Å; A70-R72 PolarHBondContact O-N 3.02Å; A70-S73 WeakPolarHBondContact O-CB 2.85Å; A70-S73 PolarHBondContact O-N 3.02Å; A70-I74 WeakPolarHBondContact O-CD1 3.43Å; A70-I74 WeakPolarHBondContact O-CG1 3.48Å; A70-I74 PolarHBondContact O-N 3.19Å; A70-R86 HydrophobicContact CB-CB 4.34Å; A70-R86 HydrophobicContact CB-CG 4.24Å
71S98Very high96.9Very high43 Ų4353.8 Ų53.830%0.30128%0.277SS..Hα-helixtrans-60.4-43.3175.8-176.60000111.5Y67 S73 I74 S75Y67-S71 VanDerWaalsContact O-CB 3.24Å; Y67-S71 WeakPolarHBondContact O-CB 3.38Å; Y67-S71 PolarHBondContact O-N 3.29Å; S71-S73 PolarHBondContact O-N 3Å; S71-I74 PolarHBondContact O-N 3.16Å; S71-S75 WeakPolarHBondContact O-CB 3.46Å; S71-S75 PolarHBondContact O-N 3.24Å
72R98.1Very high97Very high104 Ų10455 Ų5539%0.39228%0.276SS..Hα-helixtrans-60.8-45.6173.4-177.356.6176.61740.5111.9Y50 K68 D69 A70 I74 S75 L76Y50-R72 HydrophobicContact CD1-CB 4.13Å; Y50-R72 HydrophobicContact CD1-CG 3.83Å; Y50-R72 HydrophobicContact CD2-CG 4Å; Y50-R72 HydrophobicContact CE1-CB 4.34Å; Y50-R72 HydrophobicContact CE1-CG 3.67Å; Y50-R72 HydrophobicContact CE2-CG 3.85Å; Y50-R72 HydrophobicContact CG-CB 4.38Å; Y50-R72 HydrophobicContact CG-CG 3.99Å; K68-R72 WeakPolarHBondContact O-CB 3.45Å; K68-R72 PolarHBondContact O-N 3.42Å; D69-R72 PolarHBondContact O-N 2.94Å; A70-R72 VanDerWaalsContact C-N 3.35Å; A70-R72 PolarHBondContact O-N 3.02Å; R72-I74 PolarHBondContact O-N 3.09Å; R72-S75 PolarHBondContact O-N 2.65Å; R72-S75 PolarHBondContact O-OG 2.71Å; R72-L76 HydrophobicContact CG-CD1 4.26Å; R72-L76 WeakPolarHBondContact O-CG 3.41Å; R72-L76 PolarHBondContact O-N 2.63Å; R72-L76 VanDerWaalsContact O-N 3.09Å
73S97.7Very high97Very high0 Ų050.3 Ų50.30%026%0.256CS..Hα-helixtrans-59.7-44176.8-169.90000112.1V47 D69 A70 S71 S75 L76 D77 S83V47-S73 VanDerWaalsContact CG1-OG 3.23Å; V47-S73 WeakPolarHBondContact CG1-OG 3.45Å; V47-S73 PolarHBondContact O-OG 2.88Å; D69-S73 WeakPolarHBondContact O-CB 3.2Å; D69-S73 PolarHBondContact O-N 3.42Å; A70-S73 WeakPolarHBondContact O-CB 2.85Å; A70-S73 PolarHBondContact O-N 3.02Å; S71-S73 PolarHBondContact O-N 3Å; S73-S75 VanDerWaalsContact C-N 3.33Å; S73-S75 PolarHBondContact O-N 2.69Å; S73-L76 PolarHBondContact O-N 3.3Å; S73-D77 PolarHBondContact O-N 3.2Å; S73-S83 WeakPolarHBondContact OG-CB 3.49Å; S73-S83 PolarHBondContact OG-OG 3.06Å
74I97.8Very high97.1Very high11 Ų1149.7 Ų49.76%0.05625%0.252CS..Hα-helixtrans-65.4-35.8176.1-63.5159.1000111.6A70 S71 R72 L76 D77 S78 I84 L103 M106A70-I74 WeakPolarHBondContact O-CD1 3.43Å; A70-I74 WeakPolarHBondContact O-CG1 3.48Å; A70-I74 PolarHBondContact O-N 3.19Å; S71-I74 PolarHBondContact O-N 3.16Å; R72-I74 PolarHBondContact O-N 3.09Å; I74-L76 VanDerWaalsContact C-N 3.31Å; I74-D77 CarbonylContact O-C 3.59Å; I74-S78 WeakPolarHBondContact O-CA 3.42Å; I74-S78 PolarHBondContact O-N 3.2Å; I74-S78 VanDerWaalsContact O-N 3.16Å; I74-I84 HydrophobicContact CD1-CG1 4.46Å; I74-I84 HydrophobicContact CG1-CG1 4.04Å; I74-I84 HydrophobicContact CG2-CG1 4.34Å; I74-L103 HydrophobicContact CD1-CD2 3.88Å; I74-M106 HydrophobicContact CG2-CE 3.93Å
75S97.4Very high97.3Very high80 Ų8045.6 Ų45.656%0.55923%0.23SC*.Hα-helixtrans-68.8-30.1177.5760000113.1S71 R72 S73S71-S75 WeakPolarHBondContact O-CB 3.46Å; S71-S75 PolarHBondContact O-N 3.24Å; R72-S75 PolarHBondContact O-N 2.65Å; R72-S75 PolarHBondContact O-OG 2.71Å; S73-S75 VanDerWaalsContact C-N 3.33Å; S73-S75 PolarHBondContact O-N 2.69Å
76L97.6Very high97.3Very high55 Ų5545 Ų4529%0.28822%0.224SC..Hα-helixtrans-79.8-38.4177.3-70.8167.8000111.4V47 Y50 R72 S73 I74V47-L76 HydrophobicContact CG2-CB 3.71Å; Y50-L76 HydrophobicContact CD2-CD1 3.75Å; Y50-L76 HydrophobicContact CE2-CD1 3.81Å; R72-L76 HydrophobicContact CG-CD1 4.26Å; R72-L76 WeakPolarHBondContact O-CG 3.41Å; R72-L76 PolarHBondContact O-N 2.63Å; R72-L76 VanDerWaalsContact O-N 3.09Å; S73-L76 PolarHBondContact O-N 3.3Å; I74-L76 VanDerWaalsContact C-N 3.31Å
77D96.8Very high97.3Very high60 Ų6045 Ų4532%0.32122%0.224SC..  trans-142.5101.4173.9179.27.4000111.2V47 S73 I74 Q79 N80V47-D77 HydrophobicContact CG1-CB 4.03Å; V47-D77 HydrophobicContact CG2-CB 3.67Å; S73-D77 PolarHBondContact O-N 3.2Å; I74-D77 CarbonylContact O-C 3.59Å; D77-Q79 PolarHBondContact O-N 3.49Å; D77-Q79 WeakPolarHBondContact OD1-CB 3.12Å; D77-Q79 PolarHBondContact OD1-N 3.5Å; D77-N80 HydrophobicContact CB-CB 4.26Å; D77-N80 PolarHBondContact O-N 3.43Å; D77-N80 PolarHBondContact OD1-N 2.95Å
78S95.6Very high97.3Very high61 Ų6142.8 Ų42.843%0.42722%0.215SC..THydrogen-bonded Turntrans-73.5-8.9179.966.50000114.3I74I74-S78 WeakPolarHBondContact O-CA 3.42Å; I74-S78 PolarHBondContact O-N 3.2Å; I74-S78 VanDerWaalsContact O-N 3.16Å
79Q95.9Very high97.3Very high125 Ų12540.6 Ų40.658%0.58421%0.206SC*.THydrogen-bonded Turntrans-94.2-11.3177.5-58.2-66.7-54.100111.8D77 V81D77-Q79 PolarHBondContact O-N 3.49Å; D77-Q79 WeakPolarHBondContact OD1-CB 3.12Å; D77-Q79 PolarHBondContact OD1-N 3.5Å; Q79-V81 PolarHBondContact O-N 2.9Å
80N94.7Very high97.3Very high22 Ų2240 Ų4012%0.11820%0.203CC..  trans-74.692.4179.4-173.6-11.8000112.1V47 D77 K82 S83 I84V47-N80 HydrophobicContact CG1-CB 4.39Å; V47-N80 VanDerWaalsContact CG1-ND2 3.29Å; V47-N80 WeakPolarHBondContact CG1-ND2 3.49Å; D77-N80 HydrophobicContact CB-CB 4.26Å; D77-N80 PolarHBondContact O-N 3.43Å; D77-N80 PolarHBondContact OD1-N 2.95Å; N80-K82 PolarHBondContact O-N 2.96Å; N80-K82 WeakPolarHBondContact OD1-CB 3.48Å; N80-K82 PolarHBondContact OD1-N 2.95Å; N80-K82 VanDerWaalsContact OD1-N 3.17Å; N80-S83 PolarHBondContact ND2-OG 3.44Å; N80-S83 VanDerWaalsContact ND2-OG 3.14Å; N80-S83 WeakPolarHBondContact O-CB 3.44Å; N80-S83 PolarHBondContact O-N 3.31Å; N80-S83 PolarHBondContact OD1-N 3.29Å; N80-I84 PolarHBondContact O-N 3.45Å
81V96.7Very high97.3Very high11 Ų1140.1 Ų40.17%0.06720%0.203CC..Hα-helixtrans-56.7-34.9-179.5-179.60000112.8Q79 S83 I84 L85 V107 L110 E111Q79-V81 PolarHBondContact O-N 2.9Å; V81-S83 VanDerWaalsContact C-N 3.32Å; V81-S83 PolarHBondContact O-N 3.48Å; V81-I84 PolarHBondContact O-N 3.22Å; V81-L85 HydrophobicContact CG1-CD1 3.91Å; V81-L85 HydrophobicContact CG1-CG 4.08Å; V81-L85 WeakPolarHBondContact O-CB 3.46Å; V81-L85 VanDerWaalsContact O-CG 3.32Å; V81-L85 WeakPolarHBondContact O-CG 3.43Å; V81-L85 PolarHBondContact O-N 3.38Å; V81-V107 HydrophobicContact CG1-CG1 4.25Å; V81-L110 HydrophobicContact CG2-CB 3.72Å; V81-L110 HydrophobicContact CG2-CD1 3.94Å; V81-L110 HydrophobicContact CG2-CG 4.49Å; V81-E111 HydrophobicContact CG1-CB 4.29Å; V81-E111 HydrophobicContact CG1-CG 4.47Å; V81-E111 HydrophobicContact CG2-CB 4.31Å; V81-E111 HydrophobicContact CG2-CG 3.89Å
82K95.9Very high97.3Very high154 Ų15438.8 Ų38.867%0.6719%0.193SC*.Hα-helixtrans-63.4-38.7178.1-68.2-178.5-179.61740112N80 R86N80-K82 PolarHBondContact O-N 2.96Å; N80-K82 WeakPolarHBondContact OD1-CB 3.48Å; N80-K82 PolarHBondContact OD1-N 2.95Å; N80-K82 VanDerWaalsContact OD1-N 3.17Å; K82-R86 WeakPolarHBondContact O-CB 3.19Å; K82-R86 PolarHBondContact O-N 2.91Å
83S97Very high97.2Very high0 Ų036 Ų360%019%0.185CC..Hα-helixtrans-69.4-39.4176.4-62.50000111.4S73 N80 V81 R86 G87S73-S83 WeakPolarHBondContact OG-CB 3.49Å; S73-S83 PolarHBondContact OG-OG 3.06Å; N80-S83 PolarHBondContact ND2-OG 3.44Å; N80-S83 VanDerWaalsContact ND2-OG 3.14Å; N80-S83 WeakPolarHBondContact O-CB 3.44Å; N80-S83 PolarHBondContact O-N 3.31Å; N80-S83 PolarHBondContact OD1-N 3.29Å; V81-S83 VanDerWaalsContact C-N 3.32Å; V81-S83 PolarHBondContact O-N 3.48Å; S83-R86 WeakPolarHBondContact O-CB 2.78Å; S83-R86 PolarHBondContact O-N 2.95Å; S83-G87 PolarHBondContact O-N 2.9Å
84I98.1Very high97.2Very high0 Ų037.8 Ų37.80%020%0.195CC..Hα-helixtrans-63.7-47.9176.1-57.8167.3000111I74 N80 V81 R86 G87 L88 L103 M106 V107 L110I74-I84 HydrophobicContact CD1-CG1 4.46Å; I74-I84 HydrophobicContact CG1-CG1 4.04Å; I74-I84 HydrophobicContact CG2-CG1 4.34Å; N80-I84 PolarHBondContact O-N 3.45Å; V81-I84 PolarHBondContact O-N 3.22Å; I84-R86 PolarHBondContact O-N 3.33Å; I84-G87 PolarHBondContact O-N 3.1Å; I84-G87 VanDerWaalsContact O-N 3.13Å; I84-L88 WeakPolarHBondContact O-CB 3.29Å; I84-L88 PolarHBondContact O-N 3.19Å; I84-L103 HydrophobicContact CG2-CB 4.12Å; I84-L103 HydrophobicContact CG2-CD2 4.11Å; I84-M106 HydrophobicContact CD1-CB 4.12Å; I84-M106 HydrophobicContact CD1-CE 3.8Å; I84-M106 HydrophobicContact CG1-CE 4.19Å; I84-M106 HydrophobicContact CG2-CB 4.29Å; I84-V107 HydrophobicContact CB-CG2 4.07Å; I84-V107 HydrophobicContact CG2-CG2 3.31Å; I84-L110 HydrophobicContact CD1-CD1 3.53Å
85L98Very high97.2Very high4 Ų437.8 Ų37.82%0.02120%0.197CC..Hα-helixtrans-60.2-36.3176-70.5173000112V81 L88 K89 V107 E116 F117 L120V81-L85 HydrophobicContact CG1-CD1 3.91Å; V81-L85 HydrophobicContact CG1-CG 4.08Å; V81-L85 WeakPolarHBondContact O-CB 3.46Å; V81-L85 VanDerWaalsContact O-CG 3.32Å; V81-L85 WeakPolarHBondContact O-CG 3.43Å; V81-L85 PolarHBondContact O-N 3.38Å; L85-L88 WeakPolarHBondContact O-CB 3.44Å; L85-L88 PolarHBondContact O-N 3.34Å; L85-K89 PolarHBondContact O-N 3.22Å; L85-V107 HydrophobicContact CD2-CG1 4.27Å; L85-V107 HydrophobicContact CD2-CG2 4.17Å; L85-E116 HydrophobicContact CD1-CB 4.3Å; L85-E116 HydrophobicContact CD1-CG 4.36Å; L85-F117 HydrophobicContact CD2-CB 3.83Å; L85-F117 HydrophobicContact CD2-CD2 4.22Å; L85-F117 HydrophobicContact CD2-CG 4.48Å; L85-L120 HydrophobicContact CD2-CD1 4.17Å
86R97.3Very high97.2Very high42 Ų4237.2 Ų37.216%0.15819%0.188CC..Hα-helixtrans-64.8-46.4173.2-16670.459.268.23.6112N51 S54 L58 A70 K82 S83 I84 L88 K89 C90N51-R86 PolarHBondContact O-NH1 3.43Å; N51-R86 PolarHBondContact OD1-NH1 2.8Å; S54-R86 VanDerWaalsContact OG-CG 3.28Å; S54-R86 WeakPolarHBondContact OG-CG 3.45Å; L58-R86 HydrophobicContact CD1-CG 4.44Å; A70-R86 HydrophobicContact CB-CB 4.34Å; A70-R86 HydrophobicContact CB-CG 4.24Å; K82-R86 WeakPolarHBondContact O-CB 3.19Å; K82-R86 PolarHBondContact O-N 2.91Å; S83-R86 WeakPolarHBondContact O-CB 2.78Å; S83-R86 PolarHBondContact O-N 2.95Å; I84-R86 PolarHBondContact O-N 3.33Å; R86-L88 VanDerWaalsContact C-N 3.25Å; R86-L88 PolarHBondContact O-N 2.91Å; R86-K89 WeakPolarHBondContact O-CB 3.35Å; R86-K89 PolarHBondContact O-N 3.3Å; R86-C90 PolarHBondContact O-N 3.11Å; R86-C90 PolarHBondContact O-SG 3.13Å
87G98Very high97.1Very high0 Ų036.3 Ų36.30%018%0.183CC..Hα-helixtrans-56.4-43.4173.600000111.3S83 I84 K89 C90 C91 L103S83-G87 PolarHBondContact O-N 2.9Å; I84-G87 PolarHBondContact O-N 3.1Å; I84-G87 VanDerWaalsContact O-N 3.13Å; G87-K89 PolarHBondContact O-N 3.31Å; G87-C90 WeakPolarHBondContact O-CB 2.99Å; G87-C90 PolarHBondContact O-N 3.35Å; G87-C90 VanDerWaalsContact O-N 3.13Å; G87-C91 PolarHBondContact O-N 3.19Å; G87-C91 PolarHBondContact O-SG 2.88Å; G87-L103 VanDerWaalsContact C-CD1 3.46Å
88L97.9Very high97.1Very high0 Ų040 Ų400%020%0.203CC..Hα-helixtrans-62-43.9178.9-167.864.4000112.5I84 L85 R86 C90 C91 L92 A100 L103 F117 L120 I124I84-L88 WeakPolarHBondContact O-CB 3.29Å; I84-L88 PolarHBondContact O-N 3.19Å; L85-L88 WeakPolarHBondContact O-CB 3.44Å; L85-L88 PolarHBondContact O-N 3.34Å; R86-L88 VanDerWaalsContact C-N 3.25Å; R86-L88 PolarHBondContact O-N 2.91Å; L88-C90 VanDerWaalsContact C-N 3.32Å; L88-C90 PolarHBondContact O-N 3.09Å; L88-C91 PolarHBondContact O-N 3.26Å; L88-L92 PolarHBondContact O-N 3.03Å; L88-A100 HydrophobicContact CD1-CB 4.11Å; L88-A100 WeakPolarHBondContact CD1-O 3.41Å; L88-L103 HydrophobicContact CD1-CB 4Å; L88-F117 HydrophobicContact CD2-CD2 3.95Å; L88-F117 HydrophobicContact CD2-CE2 4.07Å; L88-L120 HydrophobicContact CB-CD1 4.45Å; L88-L120 HydrophobicContact CD2-CB 3.83Å; L88-L120 HydrophobicContact CD2-CD1 4.03Å; L88-L120 HydrophobicContact CG-CB 4.42Å; L88-L120 HydrophobicContact CG-CD1 4.41Å; L88-I124 HydrophobicContact CD1-CD1 3.31Å; L88-I124 HydrophobicContact CD2-CD1 4Å; L88-I124 HydrophobicContact CG-CD1 3.54Å
89K97.8Very high97.2Very high69 Ų6938.6 Ų38.630%0.319%0.19SC..Hα-helixtrans-57.2-44.6171.7-80.8171.1167.7169.60112L58 L85 R86 G87 L92 I93 E116 L120L58-K89 HydrophobicContact CD1-CB 4.47Å; L85-K89 PolarHBondContact O-N 3.22Å; R86-K89 WeakPolarHBondContact O-CB 3.35Å; R86-K89 PolarHBondContact O-N 3.3Å; G87-K89 PolarHBondContact O-N 3.31Å; K89-L92 PolarHBondContact O-N 3.46Å; K89-I93 WeakPolarHBondContact O-CG1 3.28Å; K89-I93 PolarHBondContact O-N 2.94Å; K89-I93 VanDerWaalsContact O-N 3.15Å; K89-E116 WeakPolarHBondContact CE-OE1 3.46Å; K89-E116 IonicContact NZ-OE1 2.71Å; K89-E116 PolarHBondContact NZ-OE1 3.16Å; K89-E116 IonicContact NZ-OE2 2.88Å; K89-L120 HydrophobicContact CD-CD1 4.48Å; K89-L120 HydrophobicContact CG-CD1 3.78Å; K89-L120 HydrophobicContact CG-CD2 3.59Å; K89-L120 HydrophobicContact CG-CG 4.34Å
90C98.2Very high97.3Very high0 Ų032.7 Ų32.70%016%0.162CC..Hα-helixtrans-65.2-44.3178.1-56.60000111.2Y67 R86 G87 L88 L92 I93 L94Y67-C90 HydrophobicContact CD2-CB 4.08Å; Y67-C90 HydrophobicContact CG-CB 4.4Å; R86-C90 PolarHBondContact O-N 3.11Å; R86-C90 PolarHBondContact O-SG 3.13Å; G87-C90 WeakPolarHBondContact O-CB 2.99Å; G87-C90 PolarHBondContact O-N 3.35Å; G87-C90 VanDerWaalsContact O-N 3.13Å; L88-C90 VanDerWaalsContact C-N 3.32Å; L88-C90 PolarHBondContact O-N 3.09Å; C90-L92 VanDerWaalsContact C-N 3.33Å; C90-L92 PolarHBondContact O-N 3.16Å; C90-I93 PolarHBondContact O-N 3.23Å; C90-L94 WeakPolarHBondContact O-CB 3.45Å; C90-L94 VanDerWaalsContact O-CG 3.28Å; C90-L94 WeakPolarHBondContact O-CG 3.19Å; C90-L94 PolarHBondContact O-N 2.98Å
91C98.1Very high97.4Very high1 Ų138.9 Ų38.91%0.00719%0.188CC..Hα-helixtrans-60.2-41.6177.9-63.30000111.8Y67 G87 L88 L94 G95 D96 E99 A100Y67-C91 VanDerWaalsContact CE2-SG 3.55Å; G87-C91 PolarHBondContact O-N 3.19Å; G87-C91 PolarHBondContact O-SG 2.88Å; L88-C91 PolarHBondContact O-N 3.26Å; C91-L94 PolarHBondContact O-N 2.99Å; C91-G95 WeakPolarHBondContact O-CA 3.29Å; C91-G95 PolarHBondContact O-N 2.91Å; C91-D96 HydrophobicContact CB-CB 4.48Å; C91-D96 PolarHBondContact O-N 3.35Å; C91-E99 VanDerWaalsContact SG-CG 3.54Å; C91-A100 HydrophobicContact CB-CB 3.86Å
92L98Very high97.4Very high15 Ų1543.4 Ų43.48%0.07920%0.204CC..Hα-helixtrans-59.6-48.9174.7176.461.6000111.6L88 K89 C90 L94 G95 L120 K123 I124 L127 A157L88-L92 PolarHBondContact O-N 3.03Å; K89-L92 PolarHBondContact O-N 3.46Å; C90-L92 VanDerWaalsContact C-N 3.33Å; C90-L92 PolarHBondContact O-N 3.16Å; L92-L94 VanDerWaalsContact C-N 3.34Å; L92-L94 PolarHBondContact O-N 3.47Å; L92-G95 PolarHBondContact O-N 3.43Å; L92-L120 HydrophobicContact CD2-CD2 4.29Å; L92-K123 HydrophobicContact CD1-CB 4.28Å; L92-K123 HydrophobicContact CD2-CB 3.82Å; L92-K123 HydrophobicContact CD2-CD 3.92Å; L92-I124 HydrophobicContact CB-CG1 4.34Å; L92-I124 HydrophobicContact CD1-CG1 3.99Å; L92-L127 HydrophobicContact CD1-CD2 3.98Å; L92-A157 WeakPolarHBondContact O-CA 3.38Å; L92-A157 WeakPolarHBondContact O-CB 3.3Å
93I97.7Very high97.5Very high47 Ų4736 Ų3624%0.24117%0.172CC..Hα-helixtrans-64.8-38.8-179.2-67165.9000111.7L58 P63 K89 C90 G95 A157 P158 A159 S160L58-I93 HydrophobicContact CD2-CD1 3.95Å; P63-I93 HydrophobicContact CB-CB 4.3Å; P63-I93 HydrophobicContact CB-CG2 3.66Å; P63-I93 HydrophobicContact CG-CG2 3.87Å; K89-I93 WeakPolarHBondContact O-CG1 3.28Å; K89-I93 PolarHBondContact O-N 2.94Å; K89-I93 VanDerWaalsContact O-N 3.15Å; C90-I93 PolarHBondContact O-N 3.23Å; I93-G95 VanDerWaalsContact C-N 3.32Å; I93-A157 CarbonylContact O-C 3.56Å; I93-P158 HydrophobicContact CG2-CG 4.44Å; I93-A159 HydrophobicContact CG2-CB 3.73Å; I93-A159 PolarHBondContact O-N 3.33Å; I93-S160 PolarHBondContact O-N 3.4Å
94L97.3Very high97.5Very high37 Ų3736.4 Ų36.419%0.19417%0.174CC..Hα-helixtrans-79.7-11.7178.7-66.8169.2000113.3P63 L64 Y67 C90 C91 L92 D96 A159 S160P63-L94 HydrophobicContact CB-CD2 3.97Å; P63-L94 HydrophobicContact CB-CG 4.1Å; P63-L94 HydrophobicContact CG-CD2 3.91Å; L64-L94 HydrophobicContact CB-CD2 4.43Å; Y67-L94 HydrophobicContact CG-CD1 4.14Å; C90-L94 WeakPolarHBondContact O-CB 3.45Å; C90-L94 VanDerWaalsContact O-CG 3.28Å; C90-L94 WeakPolarHBondContact O-CG 3.19Å; C90-L94 PolarHBondContact O-N 2.98Å; C91-L94 PolarHBondContact O-N 2.99Å; L92-L94 VanDerWaalsContact C-N 3.34Å; L92-L94 PolarHBondContact O-N 3.47Å; L94-D96 VanDerWaalsContact C-N 3.32Å; L94-A159 HydrophobicContact CD2-CB 4.34Å; L94-S160 VanDerWaalsContact O-CA 3.27Å; L94-S160 WeakPolarHBondContact O-CA 3.08Å; L94-S160 VanDerWaalsContact O-CB 3.3Å; L94-S160 WeakPolarHBondContact O-CB 3.4Å; L94-S160 PolarHBondContact O-OG 2.88Å
95G97.4Very high97.5Very high11 Ų1139.1 Ų39.111%0.11319%0.194CC..THydrogen-bonded Turntrans69.723.1-176.400000114.6C91 L92 I93 L97C91-G95 WeakPolarHBondContact O-CA 3.29Å; C91-G95 PolarHBondContact O-N 2.91Å; L92-G95 PolarHBondContact O-N 3.43Å; I93-G95 VanDerWaalsContact C-N 3.32Å; G95-L97 PolarHBondContact O-N 3.19Å; G95-L97 VanDerWaalsContact O-N 3.11Å
96D97.1Very high97.5Very high68 Ų6840.4 Ų40.436%0.36420%0.2SC..  trans-83.183176.4-168.1-20.2000110.6C91 L94 N98 E99 A100C91-D96 HydrophobicContact CB-CB 4.48Å; C91-D96 PolarHBondContact O-N 3.35Å; L94-D96 VanDerWaalsContact C-N 3.32Å; D96-N98 VanDerWaalsContact C-N 3.29Å; D96-N98 PolarHBondContact O-N 2.86Å; D96-N98 PolarHBondContact OD1-N 3.05Å; D96-E99 HydrophobicContact CB-CB 4.4Å; D96-E99 PolarHBondContact OD1-N 2.95Å; D96-A100 WeakPolarHBondContact O-CB 3.4Å; D96-A100 PolarHBondContact O-N 3.45Å
97L96.7Very high97.5Very high35 Ų3538.4 Ų38.418%0.18319%0.192CC..Hα-helixtrans-65.4-30.1-178.1-70.6179.5000113.4G95 K101 I124 L127 S128 H131 F163G95-L97 PolarHBondContact O-N 3.19Å; G95-L97 VanDerWaalsContact O-N 3.11Å; L97-K101 WeakPolarHBondContact O-CB 3.44Å; L97-K101 PolarHBondContact O-N 3.33Å; L97-I124 HydrophobicContact CD2-CG2 4.44Å; L97-L127 HydrophobicContact CD2-CB 4.38Å; L97-L127 HydrophobicContact CD2-CD2 3.68Å; L97-L127 HydrophobicContact CD2-CG 3.87Å; L97-L127 HydrophobicContact CG-CD2 4.41Å; L97-S128 WeakPolarHBondContact CD2-OG 3.23Å; L97-H131 HydrophobicContact CD1-CB 4.27Å; L97-F163 HydrophobicContact CD1-CZ 4.34Å
98N96.4Very high97.4Very high139 Ų13944.4 Ų44.474%0.74322%0.215SC*.Hα-helixtrans-70.2-49.4-178.9-72.3-35.2000110.5D96 K101 R102D96-N98 VanDerWaalsContact C-N 3.29Å; D96-N98 PolarHBondContact O-N 2.86Å; D96-N98 PolarHBondContact OD1-N 3.05Å; N98-K101 PolarHBondContact O-N 3.28Å; N98-R102 PolarHBondContact O-N 3.38Å
99E97Very high97.4Very high30 Ų3052.1 Ų52.114%0.1425%0.251CS..Hα-helixtrans-69.7-38177-178.666.4173.400111.6Y67 C91 D96 K101 R102 L103Y67-E99 HydrophobicContact CE2-CG 4.01Å; Y67-E99 WeakPolarHBondContact OH-CG 3.36Å; Y67-E99 PolarHBondContact OH-OE1 2.89Å; C91-E99 VanDerWaalsContact SG-CG 3.54Å; D96-E99 HydrophobicContact CB-CB 4.4Å; D96-E99 PolarHBondContact OD1-N 2.95Å; E99-K101 VanDerWaalsContact C-N 3.27Å; E99-K101 PolarHBondContact O-N 3.15Å; E99-R102 VanDerWaalsContact CD-NE 3.33Å; E99-R102 WeakPolarHBondContact O-CB 3.5Å; E99-R102 PolarHBondContact O-N 3.4Å; E99-R102 VanDerWaalsContact O-N 3.09Å; E99-R102 IonicContact OE1-CZ 3.49Å; E99-R102 IonicContact OE1-NE 2.78Å; E99-R102 PolarHBondContact OE1-NE 3.27Å; E99-R102 IonicContact OE1-NH2 2.72Å; E99-R102 PolarHBondContact OE1-NH2 3.38Å; E99-R102 WeakPolarHBondContact OE2-CD 3.49Å; E99-R102 IonicContact OE2-CZ 2.68Å; E99-R102 IonicContact OE2-NE 3.23Å; E99-R102 PolarHBondContact OE2-NE 3.18Å; E99-R102 IonicContact OE2-NH2 3.4Å; E99-L103 HydrophobicContact CG-CD1 4.23Å; E99-L103 HydrophobicContact CG-CG 4.33Å; E99-L103 WeakPolarHBondContact O-CG 3.44Å; E99-L103 PolarHBondContact O-N 2.87Å
100A97.7Very high97.3Very high1 Ų151.4 Ų51.41%0.00825%0.25CS..Hα-helixtrans-54.9-44.9173.500000111.4L88 C91 D96 R102 L103 C104 I124L88-A100 HydrophobicContact CD1-CB 4.11Å; L88-A100 WeakPolarHBondContact CD1-O 3.41Å; C91-A100 HydrophobicContact CB-CB 3.86Å; D96-A100 WeakPolarHBondContact O-CB 3.4Å; D96-A100 PolarHBondContact O-N 3.45Å; A100-R102 PolarHBondContact O-N 3.39Å; A100-L103 PolarHBondContact O-N 3.26Å; A100-C104 WeakPolarHBondContact O-CB 3.46Å; A100-C104 PolarHBondContact O-N 3.24Å; A100-C104 PolarHBondContact O-SG 3.12Å; A100-C104 VanDerWaalsContact O-SG 3.33Å; A100-I124 HydrophobicContact CB-CD1 4.13Å; A100-I124 HydrophobicContact CB-CG1 4.5Å; A100-I124 HydrophobicContact CB-CG2 4.17Å
101K97.2Very high97.2Very high152 Ų15255.5 Ų55.566%0.66127%0.269SS*.Hα-helixtrans-60.2-43.2176.3-175.1177.9178.91800112L97 N98 E99 C104 S105L97-K101 WeakPolarHBondContact O-CB 3.44Å; L97-K101 PolarHBondContact O-N 3.33Å; N98-K101 PolarHBondContact O-N 3.28Å; E99-K101 VanDerWaalsContact C-N 3.27Å; E99-K101 PolarHBondContact O-N 3.15Å; K101-C104 PolarHBondContact O-N 2.95Å; K101-S105 PolarHBondContact O-N 2.91Å; K101-S105 VanDerWaalsContact O-N 3.13Å; K101-S105 PolarHBondContact O-OG 3.38Å
102R97.1Very high97Very high106 Ų10659.2 Ų59.240%0.429%0.293SS..Hα-helixtrans-61.4-48176.9-168.5-169.77176.9-1.4111.6N98 E99 A100 S105 M106N98-R102 PolarHBondContact O-N 3.38Å; E99-R102 VanDerWaalsContact CD-NE 3.33Å; E99-R102 WeakPolarHBondContact O-CB 3.5Å; E99-R102 PolarHBondContact O-N 3.4Å; E99-R102 VanDerWaalsContact O-N 3.09Å; E99-R102 IonicContact OE1-CZ 3.49Å; E99-R102 IonicContact OE1-NE 2.78Å; E99-R102 PolarHBondContact OE1-NE 3.27Å; E99-R102 IonicContact OE1-NH2 2.72Å; E99-R102 PolarHBondContact OE1-NH2 3.38Å; E99-R102 WeakPolarHBondContact OE2-CD 3.49Å; E99-R102 IonicContact OE2-CZ 2.68Å; E99-R102 IonicContact OE2-NE 3.23Å; E99-R102 PolarHBondContact OE2-NE 3.18Å; E99-R102 IonicContact OE2-NH2 3.4Å; A100-R102 PolarHBondContact O-N 3.39Å; R102-S105 WeakPolarHBondContact O-CB 3.44Å; R102-S105 PolarHBondContact O-N 2.86Å; R102-M106 PolarHBondContact NH1-SD 2.9Å; R102-M106 PolarHBondContact O-N 2.99Å
103L97.8Very high96.8Very high0 Ų064.6 Ų64.60%033%0.327CS..Hα-helixtrans-66.3-38179-65.5-179.5000111.9I74 I84 G87 L88 E99 A100 S105 M106 V107I74-L103 HydrophobicContact CD1-CD2 3.88Å; I84-L103 HydrophobicContact CG2-CB 4.12Å; I84-L103 HydrophobicContact CG2-CD2 4.11Å; G87-L103 VanDerWaalsContact C-CD1 3.46Å; L88-L103 HydrophobicContact CD1-CB 4Å; E99-L103 HydrophobicContact CG-CD1 4.23Å; E99-L103 HydrophobicContact CG-CG 4.33Å; E99-L103 WeakPolarHBondContact O-CG 3.44Å; E99-L103 PolarHBondContact O-N 2.87Å; A100-L103 PolarHBondContact O-N 3.26Å; L103-S105 VanDerWaalsContact C-N 3.3Å; L103-S105 PolarHBondContact O-N 3.29Å; L103-M106 HydrophobicContact CD2-SD 4.04Å; L103-M106 WeakPolarHBondContact O-CB 3.43Å; L103-M106 PolarHBondContact O-N 3.07Å; L103-M106 VanDerWaalsContact O-N 3.16Å; L103-V107 PolarHBondContact O-N 3.42Å; L103-V107 VanDerWaalsContact O-N 3.07Å
104C97.7Very high96.7Very high7 Ų763.8 Ų63.85%0.04732%0.323CS..Hα-helixtrans-56.9-42.8172-79.60000112.1A100 K101 M106 V107 R108 F117 L121A100-C104 WeakPolarHBondContact O-CB 3.46Å; A100-C104 PolarHBondContact O-N 3.24Å; A100-C104 PolarHBondContact O-SG 3.12Å; A100-C104 VanDerWaalsContact O-SG 3.33Å; K101-C104 PolarHBondContact O-N 2.95Å; C104-M106 VanDerWaalsContact C-N 3.32Å; C104-M106 PolarHBondContact O-N 3.46Å; C104-V107 PolarHBondContact O-N 2.93Å; C104-R108 WeakPolarHBondContact O-CG 3.44Å; C104-R108 PolarHBondContact O-N 3.28Å; C104-F117 HydrophobicContact CB-CE2 4.14Å; C104-F117 HydrophobicContact CB-CZ 4.31Å; C104-L121 HydrophobicContact CB-CD1 4.48Å
105S97.2Very high96.7Very high58 Ų5868 Ų6841%0.40635%0.35SS..Hα-helixtrans-62-38.9176.6-66.60000112.5K101 R102 L103 Q109K101-S105 PolarHBondContact O-N 2.91Å; K101-S105 VanDerWaalsContact O-N 3.13Å; K101-S105 PolarHBondContact O-OG 3.38Å; R102-S105 WeakPolarHBondContact O-CB 3.44Å; R102-S105 PolarHBondContact O-N 2.86Å; L103-S105 VanDerWaalsContact C-N 3.3Å; L103-S105 PolarHBondContact O-N 3.29Å; S105-Q109 WeakPolarHBondContact O-CG 3.48Å; S105-Q109 PolarHBondContact O-N 3.33Å
106M97.2Very high96.6Very high31 Ų3170.8 Ų70.815%0.15336%0.361CS..Hα-helixtrans-64.8-47.6176.3-63.8175.967.600111.7I74 I84 R102 L103 C104 R108 Q109 L110I74-M106 HydrophobicContact CG2-CE 3.93Å; I84-M106 HydrophobicContact CD1-CB 4.12Å; I84-M106 HydrophobicContact CD1-CE 3.8Å; I84-M106 HydrophobicContact CG1-CE 4.19Å; I84-M106 HydrophobicContact CG2-CB 4.29Å; R102-M106 PolarHBondContact NH1-SD 2.9Å; R102-M106 PolarHBondContact O-N 2.99Å; L103-M106 HydrophobicContact CD2-SD 4.04Å; L103-M106 WeakPolarHBondContact O-CB 3.43Å; L103-M106 PolarHBondContact O-N 3.07Å; L103-M106 VanDerWaalsContact O-N 3.16Å; C104-M106 VanDerWaalsContact C-N 3.32Å; C104-M106 PolarHBondContact O-N 3.46Å; M106-R108 VanDerWaalsContact C-N 3.33Å; M106-R108 PolarHBondContact O-N 3.02Å; M106-Q109 PolarHBondContact O-N 3.07Å; M106-Q109 VanDerWaalsContact O-N 3.14Å; M106-L110 WeakPolarHBondContact O-CG 3.47Å; M106-L110 PolarHBondContact O-N 3.18Å; M106-L110 VanDerWaalsContact O-N 3.12Å
107V97.4Very high96.7Very high0 Ų067.8 Ų67.80%034%0.344CS..Hα-helixtrans-63.8-39.2179.1-174.30000111.5V81 I84 L85 L103 C104 Q109 L110 E111 F117V81-V107 HydrophobicContact CG1-CG1 4.25Å; I84-V107 HydrophobicContact CB-CG2 4.07Å; I84-V107 HydrophobicContact CG2-CG2 3.31Å; L85-V107 HydrophobicContact CD2-CG1 4.27Å; L85-V107 HydrophobicContact CD2-CG2 4.17Å; L103-V107 PolarHBondContact O-N 3.42Å; L103-V107 VanDerWaalsContact O-N 3.07Å; C104-V107 PolarHBondContact O-N 2.93Å; V107-Q109 PolarHBondContact O-N 3.05Å; V107-L110 PolarHBondContact O-N 3.5Å; V107-E111 CarbonylContact O-C 3.6Å; V107-E111 VanDerWaalsContact O-C 3.27Å; V107-E111 PolarHBondContact O-N 3.47Å; V107-F117 HydrophobicContact CB-CD1 4.43Å; V107-F117 HydrophobicContact CB-CD2 3.7Å; V107-F117 HydrophobicContact CB-CE2 3.83Å; V107-F117 HydrophobicContact CB-CG 4.04Å; V107-F117 HydrophobicContact CB-CZ 4.25Å; V107-F117 HydrophobicContact CG1-CB 3.76Å; V107-F117 HydrophobicContact CG1-CD1 3.83Å; V107-F117 HydrophobicContact CG1-CD2 3.56Å; V107-F117 HydrophobicContact CG1-CE1 4.37Å; V107-F117 HydrophobicContact CG1-CE2 4.15Å; V107-F117 HydrophobicContact CG1-CG 3.4Å; V107-F117 HydrophobicContact CG2-CD2 4.13Å; V107-F117 HydrophobicContact CG2-CE2 4.38Å
108R97Very high96.7Very high126 Ų12669.2 Ų69.248%0.47536%0.357SS..Hα-helixtrans-58.1-32.1175.4-77.6179.1179.41781.2113.1C104 M106 P112 F117 E125C104-R108 WeakPolarHBondContact O-CG 3.44Å; C104-R108 PolarHBondContact O-N 3.28Å; M106-R108 VanDerWaalsContact C-N 3.33Å; M106-R108 PolarHBondContact O-N 3.02Å; R108-P112 WeakPolarHBondContact O-CB 3.43Å; R108-F117 HydrophobicContact CG-CE1 3.62Å; R108-F117 HydrophobicContact CG-CZ 3.65Å; R108-E125 IonicContact NH2-OE1 2.6Å; R108-E125 PolarHBondContact NH2-OE1 2.89Å
109Q96.6Very high96.7Very high162 Ų16265.3 Ų65.376%0.75734%0.341SS*.Hα-helixtrans-79.6-36.7178.2-71.3174.9-5.200112.5S105 M106 V107S105-Q109 WeakPolarHBondContact O-CG 3.48Å; S105-Q109 PolarHBondContact O-N 3.33Å; M106-Q109 PolarHBondContact O-N 3.07Å; M106-Q109 VanDerWaalsContact O-N 3.14Å; V107-Q109 PolarHBondContact O-N 3.05Å
110L96.9Very high96.7Very high54 Ų5464.4 Ų64.428%0.28334%0.337SS..Hα-helixtrans-87.7-51.2-174.5-62.3175.1000113.1V81 I84 M106 V107V81-L110 HydrophobicContact CG2-CB 3.72Å; V81-L110 HydrophobicContact CG2-CD1 3.94Å; V81-L110 HydrophobicContact CG2-CG 4.49Å; I84-L110 HydrophobicContact CD1-CD1 3.53Å; M106-L110 WeakPolarHBondContact O-CG 3.47Å; M106-L110 PolarHBondContact O-N 3.18Å; M106-L110 VanDerWaalsContact O-N 3.12Å; V107-L110 PolarHBondContact O-N 3.5Å
111E95.7Very high96.7Very high86 Ų8665.7 Ų65.740%0.40234%0.343SS..  trans-144.374.3-175.7-74-175.4-166.500111.2V81 V107 T113 N114V81-E111 HydrophobicContact CG1-CB 4.29Å; V81-E111 HydrophobicContact CG1-CG 4.47Å; V81-E111 HydrophobicContact CG2-CB 4.31Å; V81-E111 HydrophobicContact CG2-CG 3.89Å; V107-E111 CarbonylContact O-C 3.6Å; V107-E111 VanDerWaalsContact O-C 3.27Å; V107-E111 PolarHBondContact O-N 3.47Å; E111-T113 PolarHBondContact O-N 3.47Å; E111-N114 HydrophobicContact CB-CB 4.1Å; E111-N114 VanDerWaalsContact O-CB 3.3Å; E111-N114 WeakPolarHBondContact O-CB 3.46Å; E111-N114 PolarHBondContact O-N 3.37Å; E111-N114 PolarHBondContact OE2-ND2 3.33Å
112P93.5Very high96.7Very high78 Ų7865 Ų6551%0.50634%0.342SS..THydrogen-bonded Turntrans-64.8-23.8-176.623.3-33.2000114.4R108R108-P112 WeakPolarHBondContact O-CB 3.43Å
113T95.1Very high96.7Very high129 Ų12964.7 Ų64.779%0.79134%0.344SS*.THydrogen-bonded Turntrans-938.6-178.754.10000113.4E111 T115E111-T113 PolarHBondContact O-N 3.47Å; T113-T115 PolarHBondContact O-N 3.13Å
114N95.8Very high96.7Very high30 Ų3065 Ų6516%0.1635%0.346CS..  trans-64.5125.7180-172.9-63.7000111.1E111 E116 F117 S118E111-N114 HydrophobicContact CB-CB 4.1Å; E111-N114 VanDerWaalsContact O-CB 3.3Å; E111-N114 WeakPolarHBondContact O-CB 3.46Å; E111-N114 PolarHBondContact O-N 3.37Å; E111-N114 PolarHBondContact OE2-ND2 3.33Å; N114-E116 WeakPolarHBondContact OD1-CB 3.46Å; N114-E116 PolarHBondContact OD1-N 2.9Å; N114-E116 VanDerWaalsContact OD1-N 3.11Å; N114-F117 HydrophobicContact CB-CB 3.81Å; N114-F117 WeakPolarHBondContact O-CB 3.5Å; N114-F117 PolarHBondContact O-N 2.92Å; N114-F117 PolarHBondContact OD1-N 3.38Å; N114-F117 VanDerWaalsContact OD1-N 3.1Å; N114-S118 PolarHBondContact O-N 2.9Å; N114-S118 VanDerWaalsContact O-N 3.11Å; N114-S118 PolarHBondContact O-OG 2.76Å
115T95.8Very high96.7Very high124 Ų12468.9 Ų68.976%0.76136%0.363SS*.Hα-helixtrans-69.7-37.5-173.951.90000113.1T113 F117 S118 S119T113-T115 PolarHBondContact O-N 3.13Å; T115-F117 VanDerWaalsContact C-N 3.33Å; T115-S118 PolarHBondContact O-N 3.3Å; T115-S119 PolarHBondContact O-N 3.2Å
116E96.3Very high96.8Very high71 Ų7170.3 Ų70.333%0.33237%0.366SS..Hα-helixtrans-65.2-41.2174.5-179.5177.9160.900110.5L85 K89 N114 S119 L120L85-E116 HydrophobicContact CD1-CB 4.3Å; L85-E116 HydrophobicContact CD1-CG 4.36Å; K89-E116 WeakPolarHBondContact CE-OE1 3.46Å; K89-E116 IonicContact NZ-OE1 2.71Å; K89-E116 PolarHBondContact NZ-OE1 3.16Å; K89-E116 IonicContact NZ-OE2 2.88Å; N114-E116 WeakPolarHBondContact OD1-CB 3.46Å; N114-E116 PolarHBondContact OD1-N 2.9Å; N114-E116 VanDerWaalsContact OD1-N 3.11Å; E116-S119 PolarHBondContact O-N 3.06Å; E116-L120 HydrophobicContact CG-CD1 4.03Å; E116-L120 WeakPolarHBondContact O-CG 3.29Å; E116-L120 PolarHBondContact O-N 3.39Å
117F97.8Very high96.8Very high5 Ų568.8 Ų68.82%0.02236%0.358CS..Hα-helixtrans-57.6-50175.3179-123.3000112.1L85 L88 C104 V107 R108 N114 T115 S119 L120 L121L85-F117 HydrophobicContact CD2-CB 3.83Å; L85-F117 HydrophobicContact CD2-CD2 4.22Å; L85-F117 HydrophobicContact CD2-CG 4.48Å; L88-F117 HydrophobicContact CD2-CD2 3.95Å; L88-F117 HydrophobicContact CD2-CE2 4.07Å; C104-F117 HydrophobicContact CB-CE2 4.14Å; C104-F117 HydrophobicContact CB-CZ 4.31Å; V107-F117 HydrophobicContact CB-CD1 4.43Å; V107-F117 HydrophobicContact CB-CD2 3.7Å; V107-F117 HydrophobicContact CB-CE2 3.83Å; V107-F117 HydrophobicContact CB-CG 4.04Å; V107-F117 HydrophobicContact CB-CZ 4.25Å; V107-F117 HydrophobicContact CG1-CB 3.76Å; V107-F117 HydrophobicContact CG1-CD1 3.83Å; V107-F117 HydrophobicContact CG1-CD2 3.56Å; V107-F117 HydrophobicContact CG1-CE1 4.37Å; V107-F117 HydrophobicContact CG1-CE2 4.15Å; V107-F117 HydrophobicContact CG1-CG 3.4Å; V107-F117 HydrophobicContact CG2-CD2 4.13Å; V107-F117 HydrophobicContact CG2-CE2 4.38Å; R108-F117 HydrophobicContact CG-CE1 3.62Å; R108-F117 HydrophobicContact CG-CZ 3.65Å; N114-F117 HydrophobicContact CB-CB 3.81Å; N114-F117 WeakPolarHBondContact O-CB 3.5Å; N114-F117 PolarHBondContact O-N 2.92Å; N114-F117 PolarHBondContact OD1-N 3.38Å; N114-F117 VanDerWaalsContact OD1-N 3.1Å; T115-F117 VanDerWaalsContact C-N 3.33Å; F117-S119 VanDerWaalsContact C-N 3.28Å; F117-S119 PolarHBondContact O-N 3.24Å; F117-L120 PolarHBondContact O-N 2.98Å; F117-L120 VanDerWaalsContact O-N 3.15Å; F117-L121 HydrophobicContact CE1-CD2 4.08Å; F117-L121 HydrophobicContact CE2-CB 4.29Å; F117-L121 HydrophobicContact CZ-CB 4.3Å; F117-L121 HydrophobicContact CZ-CD1 4.28Å; F117-L121 HydrophobicContact CZ-CD2 4.02Å; F117-L121 HydrophobicContact CZ-CG 4.44Å; F117-L121 VanDerWaalsContact O-CB 3.27Å; F117-L121 WeakPolarHBondContact O-CB 3.36Å; F117-L121 PolarHBondContact O-N 3.16Å
118S97.3Very high96.9Very high64 Ų6470.8 Ų70.845%0.44837%0.372SS..Hα-helixtrans-56.5-41.5179.9-63.90000112.6N114 T115 Q122N114-S118 PolarHBondContact O-N 2.9Å; N114-S118 VanDerWaalsContact O-N 3.11Å; N114-S118 PolarHBondContact O-OG 2.76Å; T115-S118 PolarHBondContact O-N 3.3Å; S118-Q122 PolarHBondContact O-N 2.97Å; S118-Q122 VanDerWaalsContact O-N 3.15Å
119S96.6Very high96.9Very high58 Ų5869.5 Ų69.541%0.40637%0.372SS..Hα-helixtrans-67.8-42177.3-175.50000112.7T115 E116 F117 K123T115-S119 PolarHBondContact O-N 3.2Å; E116-S119 PolarHBondContact O-N 3.06Å; F117-S119 VanDerWaalsContact C-N 3.28Å; F117-S119 PolarHBondContact O-N 3.24Å; S119-K123 PolarHBondContact O-N 3.46Å
120L97.3Very high97Very high11 Ų1162.6 Ų62.66%0.05834%0.341CS..Hα-helixtrans-67.2-41.4177.1-70170.5000111.7L85 L88 K89 L92 E116 F117 Q122 K123 I124L85-L120 HydrophobicContact CD2-CD1 4.17Å; L88-L120 HydrophobicContact CB-CD1 4.45Å; L88-L120 HydrophobicContact CD2-CB 3.83Å; L88-L120 HydrophobicContact CD2-CD1 4.03Å; L88-L120 HydrophobicContact CG-CB 4.42Å; L88-L120 HydrophobicContact CG-CD1 4.41Å; K89-L120 HydrophobicContact CD-CD1 4.48Å; K89-L120 HydrophobicContact CG-CD1 3.78Å; K89-L120 HydrophobicContact CG-CD2 3.59Å; K89-L120 HydrophobicContact CG-CG 4.34Å; L92-L120 HydrophobicContact CD2-CD2 4.29Å; E116-L120 HydrophobicContact CG-CD1 4.03Å; E116-L120 WeakPolarHBondContact O-CG 3.29Å; E116-L120 PolarHBondContact O-N 3.39Å; F117-L120 PolarHBondContact O-N 2.98Å; F117-L120 VanDerWaalsContact O-N 3.15Å; L120-Q122 PolarHBondContact O-N 3.17Å; L120-K123 PolarHBondContact O-N 2.85Å; L120-I124 WeakPolarHBondContact O-CG1 3.37Å; L120-I124 PolarHBondContact O-N 3.01Å
121L97.3Very high97.1Very high27 Ų2761.1 Ų61.114%0.14133%0.332CS..Hα-helixtrans-58.6-47.4178.6179.464.5000111C104 F117 K123 I124 E125C104-L121 HydrophobicContact CB-CD1 4.48Å; F117-L121 HydrophobicContact CE1-CD2 4.08Å; F117-L121 HydrophobicContact CE2-CB 4.29Å; F117-L121 HydrophobicContact CZ-CB 4.3Å; F117-L121 HydrophobicContact CZ-CD1 4.28Å; F117-L121 HydrophobicContact CZ-CD2 4.02Å; F117-L121 HydrophobicContact CZ-CG 4.44Å; F117-L121 VanDerWaalsContact O-CB 3.27Å; F117-L121 WeakPolarHBondContact O-CB 3.36Å; F117-L121 PolarHBondContact O-N 3.16Å; L121-K123 VanDerWaalsContact C-N 3.28Å; L121-K123 PolarHBondContact O-N 2.7Å; L121-I124 PolarHBondContact O-N 3.3Å; L121-I124 VanDerWaalsContact O-N 3.15Å; L121-E125 HydrophobicContact CD1-CG 4.17Å; L121-E125 WeakPolarHBondContact CD1-OE1 3.4Å; L121-E125 HydrophobicContact CG-CG 4.4Å; L121-E125 WeakPolarHBondContact O-CB 3.38Å; L121-E125 WeakPolarHBondContact O-CG 3.43Å; L121-E125 PolarHBondContact O-N 2.95Å
122Q97.2Very high97.2Very high137 Ų13763.2 Ų63.264%0.6434%0.336SS*.Hα-helixtrans-56.3-41.1177-172.5-176.823.100112.4S118 L120 L126S118-Q122 PolarHBondContact O-N 2.97Å; S118-Q122 VanDerWaalsContact O-N 3.15Å; L120-Q122 PolarHBondContact O-N 3.17Å; Q122-L126 WeakPolarHBondContact O-CB 3.46Å; Q122-L126 PolarHBondContact O-N 3.33Å
123K97.6Very high97.4Very high100 Ų10061.7 Ų61.744%0.43533%0.328SS..Hα-helixtrans-69.2-39.3178.5-67.5-178.7-177.1-176.60112.4L92 S119 L120 L121 L127L92-K123 HydrophobicContact CD1-CB 4.28Å; L92-K123 HydrophobicContact CD2-CB 3.82Å; L92-K123 HydrophobicContact CD2-CD 3.92Å; S119-K123 PolarHBondContact O-N 3.46Å; L120-K123 PolarHBondContact O-N 2.85Å; L121-K123 VanDerWaalsContact C-N 3.28Å; L121-K123 PolarHBondContact O-N 2.7Å; K123-L127 WeakPolarHBondContact O-CB 3.1Å; K123-L127 PolarHBondContact O-N 2.92Å
124I97.8Very high97.6Very high8 Ų856 Ų564%0.04129%0.292CS..Hα-helixtrans-68.7-40.5178.5-70.1163.9000110.8L88 L92 L97 A100 L120 L121 L127 S128L88-I124 HydrophobicContact CD1-CD1 3.31Å; L88-I124 HydrophobicContact CD2-CD1 4Å; L88-I124 HydrophobicContact CG-CD1 3.54Å; L92-I124 HydrophobicContact CB-CG1 4.34Å; L92-I124 HydrophobicContact CD1-CG1 3.99Å; L97-I124 HydrophobicContact CD2-CG2 4.44Å; A100-I124 HydrophobicContact CB-CD1 4.13Å; A100-I124 HydrophobicContact CB-CG1 4.5Å; A100-I124 HydrophobicContact CB-CG2 4.17Å; L120-I124 WeakPolarHBondContact O-CG1 3.37Å; L120-I124 PolarHBondContact O-N 3.01Å; L121-I124 PolarHBondContact O-N 3.3Å; L121-I124 VanDerWaalsContact O-N 3.15Å; I124-L127 PolarHBondContact O-N 3.01Å; I124-S128 WeakPolarHBondContact O-CB 3.31Å; I124-S128 PolarHBondContact O-N 3.35Å; I124-S128 PolarHBondContact O-OG 3.22Å
125E97.7Very high97.7Very high87 Ų8759.4 Ų59.441%0.40731%0.307SS..Hα-helixtrans-62-49174.4-73.1173.7171.600110.3R108 L121 L127 S128 E129R108-E125 IonicContact NH2-OE1 2.6Å; R108-E125 PolarHBondContact NH2-OE1 2.89Å; L121-E125 HydrophobicContact CD1-CG 4.17Å; L121-E125 WeakPolarHBondContact CD1-OE1 3.4Å; L121-E125 HydrophobicContact CG-CG 4.4Å; L121-E125 WeakPolarHBondContact O-CB 3.38Å; L121-E125 WeakPolarHBondContact O-CG 3.43Å; L121-E125 PolarHBondContact O-N 2.95Å; E125-L127 PolarHBondContact O-N 3.43Å; E125-S128 PolarHBondContact O-N 2.79Å; E125-S128 VanDerWaalsContact O-N 3.15Å; E125-E129 WeakPolarHBondContact O-CG 3.19Å; E125-E129 PolarHBondContact O-N 3.07Å
126L98.2Very high97.8Very high88 Ų8857.8 Ų57.846%0.46129%0.294SS..Hα-helixtrans-57.9-44.5175.6179.262.8000112.7Q122 E129 T130 L156Q122-L126 WeakPolarHBondContact O-CB 3.46Å; Q122-L126 PolarHBondContact O-N 3.33Å; L126-E129 PolarHBondContact O-N 3.24Å; L126-T130 WeakPolarHBondContact O-CB 3.09Å; L126-T130 PolarHBondContact O-N 3.3Å; L126-T130 PolarHBondContact O-OG1 3.16Å; L126-L156 HydrophobicContact CD2-CD1 4.11Å; L126-L156 HydrophobicContact CD2-CD2 4.2Å; L126-L156 HydrophobicContact CG-CD1 3.98Å
127L98.5Very high97.9Very high0 Ų058.3 Ų58.30%030%0.295CS..Hα-helixtrans-61.5-44.9176.7176.260.2000111.2L92 L97 K123 I124 E125 T130 H131 C153 L156 A157 F163L92-L127 HydrophobicContact CD1-CD2 3.98Å; L97-L127 HydrophobicContact CD2-CB 4.38Å; L97-L127 HydrophobicContact CD2-CD2 3.68Å; L97-L127 HydrophobicContact CD2-CG 3.87Å; L97-L127 HydrophobicContact CG-CD2 4.41Å; K123-L127 WeakPolarHBondContact O-CB 3.1Å; K123-L127 PolarHBondContact O-N 2.92Å; I124-L127 PolarHBondContact O-N 3.01Å; E125-L127 PolarHBondContact O-N 3.43Å; L127-T130 PolarHBondContact O-N 2.83Å; L127-H131 WeakPolarHBondContact O-CB 3.38Å; L127-H131 PolarHBondContact O-N 3.01Å; L127-C153 HydrophobicContact CD1-CB 3.72Å; L127-L156 HydrophobicContact CB-CD1 4.05Å; L127-L156 HydrophobicContact CD1-CB 4.09Å; L127-L156 HydrophobicContact CD1-CD1 4.25Å; L127-A157 HydrophobicContact CD2-CB 4.03Å; L127-F163 HydrophobicContact CD1-CE2 3.71Å; L127-F163 HydrophobicContact CD1-CZ 4.08Å; L127-F163 HydrophobicContact CD2-CE2 4.09Å; L127-F163 HydrophobicContact CD2-CZ 4.45Å; L127-F163 HydrophobicContact CG-CE2 4.3Å; L127-F163 HydrophobicContact CG-CZ 4.43Å
128S98.1Very high97.8Very high42 Ų4260.9 Ų60.929%0.29431%0.308SS..Hα-helixtrans-63.5-42.1179.8-57.40000112.2L97 I124 E125 R132L97-S128 WeakPolarHBondContact CD2-OG 3.23Å; I124-S128 WeakPolarHBondContact O-CB 3.31Å; I124-S128 PolarHBondContact O-N 3.35Å; I124-S128 PolarHBondContact O-OG 3.22Å; E125-S128 PolarHBondContact O-N 2.79Å; E125-S128 VanDerWaalsContact O-N 3.15Å; S128-R132 WeakPolarHBondContact O-CB 3.45Å; S128-R132 PolarHBondContact O-N 3.38Å
129E98.3Very high97.7Very high99 Ų9962.4 Ų62.446%0.46332%0.319SS..Hα-helixtrans-68.4-39.4177-67.4-177.5165.400112.4E125 L126 S133E125-E129 WeakPolarHBondContact O-CG 3.19Å; E125-E129 PolarHBondContact O-N 3.07Å; L126-E129 PolarHBondContact O-N 3.24Å; E129-S133 WeakPolarHBondContact O-CB 3.34Å; E129-S133 PolarHBondContact O-N 2.94Å; E129-S133 PolarHBondContact O-OG 3.12Å
130T98.5Very high97.7Very high17 Ų1764 Ų6410%0.10433%0.326CS..Hα-helixtrans-66-42.3176.7-54.70000110.8L126 L127 S133 Y134 L149 K152 C153L126-T130 WeakPolarHBondContact O-CB 3.09Å; L126-T130 PolarHBondContact O-N 3.3Å; L126-T130 PolarHBondContact O-OG1 3.16Å; L127-T130 PolarHBondContact O-N 2.83Å; T130-S133 WeakPolarHBondContact O-CB 3.28Å; T130-S133 PolarHBondContact O-N 2.85Å; T130-Y134 PolarHBondContact O-N 3.28Å; T130-L149 HydrophobicContact CG2-CB 4.5Å; T130-L149 HydrophobicContact CG2-CD2 4.12Å; T130-K152 HydrophobicContact CG2-CB 3.95Å; T130-C153 VanDerWaalsContact CG2-SG 3.58Å
131H98.4Very high97.6Very high22 Ų2267.1 Ų67.110%0.10235%0.349CS..Hα-helixtrans-67.2-41.9177.6-175-104.4000112L97 L127 S133 Y134 E135 F163 Q166L97-H131 HydrophobicContact CD1-CB 4.27Å; L127-H131 WeakPolarHBondContact O-CB 3.38Å; L127-H131 PolarHBondContact O-N 3.01Å; H131-S133 VanDerWaalsContact C-N 3.32Å; H131-S133 PolarHBondContact O-N 3.48Å; H131-Y134 AromaticContact CD2-CD1 3.83Å; H131-Y134 AromaticContact NE2-CD1 3.78Å; H131-Y134 WeakPolarHBondContact O-CA 3.06Å; H131-Y134 VanDerWaalsContact O-CB 3.25Å; H131-Y134 WeakPolarHBondContact O-CB 3.33Å; H131-Y134 PolarHBondContact O-N 3.41Å; H131-E135 IonicContact CE1-OE1 3.79Å; H131-E135 PolarHBondContact CE1-OE1 3.14Å; H131-E135 IonicContact ND1-OE1 3.36Å; H131-E135 PolarHBondContact O-N 3.12Å; H131-F163 AromaticContact CD2-CD1 3.92Å; H131-F163 AromaticContact CD2-CE1 3.42Å; H131-F163 VanDerWaalsContact CD2-CE1 3.42Å; H131-F163 WeakPolarHBondContact CD2-CE1 3.03Å; H131-F163 AromaticContact CG-CE1 3.94Å; H131-F163 AromaticContact NE2-CE1 3.83Å; H131-Q166 PolarHBondContact NE2-OE1 2.94Å
132R98.2Very high97.6Very high130 Ų13068 Ų6849%0.49135%0.354SS..Hα-helixtrans-57.5-44.6171.2-176.4176.265.9-124.11.6112.1S128 Y134 E135 D136S128-R132 WeakPolarHBondContact O-CB 3.45Å; S128-R132 PolarHBondContact O-N 3.38Å; R132-Y134 VanDerWaalsContact C-N 3.26Å; R132-Y134 PolarHBondContact O-N 3.5Å; R132-E135 PolarHBondContact O-N 3.23Å; R132-E135 VanDerWaalsContact O-N 3.15Å; R132-D136 PolarHBondContact O-N 2.92Å
133S98.4Very high97.6Very high47 Ų4764 Ų6433%0.32933%0.334SS..Hα-helixtrans-62.6-34.4175.9-56.30000112E129 T130 H131 D136 K137 L149E129-S133 WeakPolarHBondContact O-CB 3.34Å; E129-S133 PolarHBondContact O-N 2.94Å; E129-S133 PolarHBondContact O-OG 3.12Å; T130-S133 WeakPolarHBondContact O-CB 3.28Å; T130-S133 PolarHBondContact O-N 2.85Å; H131-S133 VanDerWaalsContact C-N 3.32Å; H131-S133 PolarHBondContact O-N 3.48Å; S133-D136 PolarHBondContact O-N 3.33Å; S133-K137 WeakPolarHBondContact O-CG 3.46Å; S133-K137 PolarHBondContact O-N 2.91Å; S133-K137 VanDerWaalsContact O-N 3.1Å; S133-L149 WeakPolarHBondContact O-CD1 3.49Å
134Y98.3Very high97.6Very high8 Ų868.8 Ų68.83%0.03135%0.35CS..Hα-helixtrans-62.8-45.7173.2154.8-96.5000111.2T130 H131 R132 D136 K137 L138 A146 I150 Q166 I170T130-Y134 PolarHBondContact O-N 3.28Å; H131-Y134 AromaticContact CD2-CD1 3.83Å; H131-Y134 AromaticContact NE2-CD1 3.78Å; H131-Y134 WeakPolarHBondContact O-CA 3.06Å; H131-Y134 VanDerWaalsContact O-CB 3.25Å; H131-Y134 WeakPolarHBondContact O-CB 3.33Å; H131-Y134 PolarHBondContact O-N 3.41Å; R132-Y134 VanDerWaalsContact C-N 3.26Å; R132-Y134 PolarHBondContact O-N 3.5Å; Y134-D136 VanDerWaalsContact C-N 3.34Å; Y134-D136 PolarHBondContact O-N 3.09Å; Y134-K137 PolarHBondContact O-N 3.34Å; Y134-L138 PolarHBondContact O-N 3.32Å; Y134-A146 HydrophobicContact CD2-CB 3.87Å; Y134-A146 WeakPolarHBondContact CD2-O 3.49Å; Y134-A146 HydrophobicContact CE2-CB 4Å; Y134-I150 HydrophobicContact CD1-CD1 4.38Å; Y134-I150 HydrophobicContact CD2-CB 3.85Å; Y134-I150 HydrophobicContact CD2-CD1 4.49Å; Y134-I150 HydrophobicContact CE1-CD1 4.43Å; Y134-I150 HydrophobicContact CE2-CB 4Å; Y134-I150 HydrophobicContact CE2-CG1 4.43Å; Y134-I150 HydrophobicContact CG-CB 4.44Å; Y134-I150 HydrophobicContact CG-CD1 4.41Å; Y134-Q166 HydrophobicContact CE1-CB 4.41Å; Y134-Q166 HydrophobicContact CE1-CG 4.4Å; Y134-Q166 VanDerWaalsContact CE1-OE1 3.26Å; Y134-I170 HydrophobicContact CE2-CD1 4.18Å; Y134-I170 HydrophobicContact CE2-CG1 4.02Å
135E97.8Very high97.6Very high102 Ų10273.4 Ų73.448%0.47737%0.371SS..Hα-helixtrans-61.7-41.1176.9-65.7-178.6150.200111.8H131 R132 K137 L138 S139H131-E135 IonicContact CE1-OE1 3.79Å; H131-E135 PolarHBondContact CE1-OE1 3.14Å; H131-E135 IonicContact ND1-OE1 3.36Å; H131-E135 PolarHBondContact O-N 3.12Å; R132-E135 PolarHBondContact O-N 3.23Å; R132-E135 VanDerWaalsContact O-N 3.15Å; E135-K137 PolarHBondContact O-N 3.1Å; E135-L138 WeakPolarHBondContact O-CB 3.41Å; E135-L138 PolarHBondContact O-N 2.67Å; E135-S139 PolarHBondContact O-N 3.49Å
136D98Very high97.7Very high91 Ų9169.2 Ų69.249%0.48735%0.352SS..Hα-helixtrans-59.3-46.2174.8-68.8-25000111.2R132 S133 Y134 L138 S139 T140R132-D136 PolarHBondContact O-N 2.92Å; S133-D136 PolarHBondContact O-N 3.33Å; Y134-D136 VanDerWaalsContact C-N 3.34Å; Y134-D136 PolarHBondContact O-N 3.09Å; D136-L138 VanDerWaalsContact C-N 3.32Å; D136-L138 PolarHBondContact O-N 3.36Å; D136-S139 WeakPolarHBondContact O-CB 3.34Å; D136-S139 PolarHBondContact O-N 3.25Å; D136-S139 PolarHBondContact O-OG 3.38Å; D136-T140 PolarHBondContact O-N 3.08Å
137K97.9Very high97.7Very high81 Ų8165.8 Ų65.835%0.35233%0.333SS..Hα-helixtrans-68.6-30.3177.6-65-53.2175.7-172.90113.3S133 Y134 E135 S139 T140 S141 D142 H145 A146 L149S133-K137 WeakPolarHBondContact O-CG 3.46Å; S133-K137 PolarHBondContact O-N 2.91Å; S133-K137 VanDerWaalsContact O-N 3.1Å; Y134-K137 PolarHBondContact O-N 3.34Å; E135-K137 PolarHBondContact O-N 3.1Å; K137-S139 VanDerWaalsContact C-N 3.34Å; K137-T140 PolarHBondContact O-N 2.98Å; K137-T140 PolarHBondContact O-OG1 3.38Å; K137-S141 PolarHBondContact O-N 2.95Å; K137-D142 HydrophobicContact CB-CB 4.39Å; K137-D142 HydrophobicContact CD-CB 4.33Å; K137-D142 PolarHBondContact O-N 2.89Å; K137-H145 HydrophobicContact CD-CB 4.3Å; K137-H145 HydrophobicContact CG-CB 4.08Å; K137-A146 HydrophobicContact CB-CB 4.11Å; K137-L149 HydrophobicContact CB-CD1 4.39Å; K137-L149 HydrophobicContact CG-CD1 3.7Å
138L95.9Very high97.7Very high60 Ų6070.7 Ų70.731%0.31436%0.356SS..Hα-helixtrans-64.2-42.3172-172.164.7000110.7Y134 E135 D136 T140 S141 F143 I170Y134-L138 PolarHBondContact O-N 3.32Å; E135-L138 WeakPolarHBondContact O-CB 3.41Å; E135-L138 PolarHBondContact O-N 2.67Å; D136-L138 VanDerWaalsContact C-N 3.32Å; D136-L138 PolarHBondContact O-N 3.36Å; L138-T140 VanDerWaalsContact C-N 3.28Å; L138-T140 PolarHBondContact O-N 3.04Å; L138-S141 PolarHBondContact O-N 3.21Å; L138-F143 HydrophobicContact CD1-CD1 4.31Å; L138-F143 HydrophobicContact CD1-CE1 3.97Å; L138-I170 HydrophobicContact CD1-CD1 3.64Å
139S95.8Very high97.7Very high96 Ų9670 Ų7067%0.67135%0.349SS*.Hα-helixtrans-63.4-33.3178.581.60000112.9E135 D136 K137 S141E135-S139 PolarHBondContact O-N 3.49Å; D136-S139 WeakPolarHBondContact O-CB 3.34Å; D136-S139 PolarHBondContact O-N 3.25Å; D136-S139 PolarHBondContact O-OG 3.38Å; K137-S139 VanDerWaalsContact C-N 3.34Å; S139-S141 VanDerWaalsContact C-N 3.3Å; S139-S141 PolarHBondContact O-N 3.09Å
140T96.8Very high97.7Very high90 Ų9065.2 Ų65.255%0.55233%0.327SS*.THydrogen-bonded Turntrans-887.917664.60000113.6D136 K137 L138 D142D136-T140 PolarHBondContact O-N 3.08Å; K137-T140 PolarHBondContact O-N 2.98Å; K137-T140 PolarHBondContact O-OG1 3.38Å; L138-T140 VanDerWaalsContact C-N 3.28Å; L138-T140 PolarHBondContact O-N 3.04Å; T140-D142 PolarHBondContact O-N 3.3Å; T140-D142 VanDerWaalsContact O-N 3.14Å
141S94.9Very high97.7Very high77 Ų7766.4 Ų66.454%0.53833%0.334SS..THydrogen-bonded Turntrans5525.7-175.9-580000114.7K137 L138 S139 F143K137-S141 PolarHBondContact O-N 2.95Å; L138-S141 PolarHBondContact O-N 3.21Å; S139-S141 VanDerWaalsContact C-N 3.3Å; S139-S141 PolarHBondContact O-N 3.09Å; S141-F143 VanDerWaalsContact C-N 3.26Å; S141-F143 WeakPolarHBondContact O-CD2 3.39Å; S141-F143 PolarHBondContact O-N 2.67Å
142D97.4Very high97.7Very high46 Ų4669.5 Ų69.525%0.24635%0.347CS..  trans-86.570.6176.7-170.9-12.2000110K137 T140 R144 H145 A146K137-D142 HydrophobicContact CB-CB 4.39Å; K137-D142 HydrophobicContact CD-CB 4.33Å; K137-D142 PolarHBondContact O-N 2.89Å; T140-D142 PolarHBondContact O-N 3.3Å; T140-D142 VanDerWaalsContact O-N 3.14Å; D142-R144 PolarHBondContact O-N 3.47Å; D142-H145 PolarHBondContact O-N 3.23Å; D142-H145 IonicContact OD1-CE1 3.23Å; D142-H145 IonicContact OD1-CG 3.71Å; D142-H145 PolarHBondContact OD1-N 2.97Å; D142-H145 IonicContact OD1-ND1 2.72Å; D142-H145 PolarHBondContact OD1-ND1 3.36Å; D142-H145 IonicContact OD2-CE1 3.21Å; D142-H145 IonicContact OD2-CG 3.89Å; D142-H145 IonicContact OD2-ND1 2.78Å; D142-H145 PolarHBondContact OD2-ND1 3.45Å; D142-A146 WeakPolarHBondContact O-CB 3.44Å; D142-A146 PolarHBondContact O-N 3.18Å
143F97.4Very high97.7Very high52 Ų5263.3 Ų63.323%0.22832%0.324CS..Hα-helixtrans-62.3-27.1-172.6-61.5-58.3000113.5L138 S141 L147 I170 Q173 L174L138-F143 HydrophobicContact CD1-CD1 4.31Å; L138-F143 HydrophobicContact CD1-CE1 3.97Å; S141-F143 VanDerWaalsContact C-N 3.26Å; S141-F143 WeakPolarHBondContact O-CD2 3.39Å; S141-F143 PolarHBondContact O-N 2.67Å; F143-L147 WeakPolarHBondContact O-CB 3.35Å; F143-L147 PolarHBondContact O-N 2.96Å; F143-I170 HydrophobicContact CB-CG2 4.21Å; F143-I170 HydrophobicContact CD1-CD1 3.81Å; F143-I170 HydrophobicContact CE1-CD1 4.44Å; F143-I170 VanDerWaalsContact O-CG2 3.24Å; F143-I170 WeakPolarHBondContact O-CG2 3.46Å; F143-Q173 HydrophobicContact CD1-CB 4.13Å; F143-Q173 HydrophobicContact CD1-CG 4.43Å; F143-Q173 HydrophobicContact CD2-CB 4.25Å; F143-Q173 HydrophobicContact CE1-CB 4.17Å; F143-Q173 HydrophobicContact CE1-CG 4.07Å; F143-Q173 HydrophobicContact CE2-CB 4.29Å; F143-Q173 HydrophobicContact CG-CB 4.17Å; F143-Q173 HydrophobicContact CZ-CB 4.25Å; F143-Q173 HydrophobicContact CZ-CG 4.23Å; F143-L174 HydrophobicContact CB-CD1 4.36Å; F143-L174 HydrophobicContact CB-CD2 3.61Å; F143-L174 HydrophobicContact CB-CG 3.82Å
144R97.8Very high97.7Very high202 Ų20262 Ų6276%0.76231%0.313SS*.Hα-helixtrans-69.8-46.9177.8-69.3-175.9-177.5164.60.8111.2D142 L147 H148 L174D142-R144 PolarHBondContact O-N 3.47Å; R144-L147 PolarHBondContact O-N 3.38Å; R144-H148 PolarHBondContact O-N 3.25Å; R144-L174 HydrophobicContact CG-CD2 3.99Å
145H97.9Very high97.7Very high104 Ų10468.5 Ų68.548%0.48134%0.344SS..Hα-helixtrans-70.8-36.6176-68.487.3000111.6K137 D142 L147 H148 L149K137-H145 HydrophobicContact CD-CB 4.3Å; K137-H145 HydrophobicContact CG-CB 4.08Å; D142-H145 PolarHBondContact O-N 3.23Å; D142-H145 IonicContact OD1-CE1 3.23Å; D142-H145 IonicContact OD1-CG 3.71Å; D142-H145 PolarHBondContact OD1-N 2.97Å; D142-H145 IonicContact OD1-ND1 2.72Å; D142-H145 PolarHBondContact OD1-ND1 3.36Å; D142-H145 IonicContact OD2-CE1 3.21Å; D142-H145 IonicContact OD2-CG 3.89Å; D142-H145 IonicContact OD2-ND1 2.78Å; D142-H145 PolarHBondContact OD2-ND1 3.45Å; H145-L147 VanDerWaalsContact C-N 3.3Å; H145-L147 PolarHBondContact O-N 3.49Å; H145-H148 WeakPolarHBondContact O-CB 3.38Å; H145-H148 PolarHBondContact O-N 3.01Å; H145-L149 WeakPolarHBondContact O-CG 3.4Å; H145-L149 PolarHBondContact O-N 2.99Å
146A98.5Very high97.6Very high0 Ų066 Ų660%033%0.333CS..Hα-helixtrans-58-42.8172.500000111.5Y134 K137 D142 H148 L149 I150 I170Y134-A146 HydrophobicContact CD2-CB 3.87Å; Y134-A146 WeakPolarHBondContact CD2-O 3.49Å; Y134-A146 HydrophobicContact CE2-CB 4Å; K137-A146 HydrophobicContact CB-CB 4.11Å; D142-A146 WeakPolarHBondContact O-CB 3.44Å; D142-A146 PolarHBondContact O-N 3.18Å; A146-H148 VanDerWaalsContact C-N 3.32Å; A146-H148 PolarHBondContact O-N 3.48Å; A146-L149 PolarHBondContact O-N 3.17Å; A146-I150 WeakPolarHBondContact O-CG2 3.5Å; A146-I150 PolarHBondContact O-N 2.94Å; A146-I170 HydrophobicContact CB-CD1 4.15Å
147L98.4Very high97.6Very high15 Ų1561.7 Ų61.78%0.07931%0.31CS..Hα-helixtrans-60.4-41176.1-176.560.3000112.4F143 R144 H145 I150 T151 R167 I170 L171 L174F143-L147 WeakPolarHBondContact O-CB 3.35Å; F143-L147 PolarHBondContact O-N 2.96Å; R144-L147 PolarHBondContact O-N 3.38Å; H145-L147 VanDerWaalsContact C-N 3.3Å; H145-L147 PolarHBondContact O-N 3.49Å; L147-I150 HydrophobicContact CD1-CG2 4.37Å; L147-I150 WeakPolarHBondContact O-CG2 3.24Å; L147-T151 WeakPolarHBondContact O-CB 3.41Å; L147-T151 PolarHBondContact O-N 3.5Å; L147-T151 VanDerWaalsContact O-N 3.11Å; L147-T151 PolarHBondContact O-OG1 3.28Å; L147-R167 HydrophobicContact CD1-CG 3.83Å; L147-I170 HydrophobicContact CB-CG2 3.74Å; L147-I170 HydrophobicContact CD1-CG2 4.22Å; L147-I170 HydrophobicContact CG-CG2 4.49Å; L147-L171 HydrophobicContact CD1-CD2 3.99Å; L147-L171 HydrophobicContact CD1-CG 4.25Å; L147-L171 HydrophobicContact CD2-CD2 4.02Å; L147-L174 HydrophobicContact CB-CD1 4.19Å; L147-L174 HydrophobicContact CD2-CD1 3.77Å
148H98.4Very high97.5Very high103 Ų10361.8 Ų61.848%0.47732%0.319SS..Hα-helixtrans-63.2-47.2176.518062.7000111.8R144 H145 A146 T151 K152R144-H148 PolarHBondContact O-N 3.25Å; H145-H148 WeakPolarHBondContact O-CB 3.38Å; H145-H148 PolarHBondContact O-N 3.01Å; A146-H148 VanDerWaalsContact C-N 3.32Å; A146-H148 PolarHBondContact O-N 3.48Å; H148-T151 PolarHBondContact O-N 3.27Å; H148-K152 VanDerWaalsContact NE2-CE 3.33Å; H148-K152 WeakPolarHBondContact NE2-CE 3.39Å; H148-K152 PolarHBondContact O-N 3.01Å; H148-K152 VanDerWaalsContact O-N 3.07Å
149L98.6Very high97.5Very high27 Ų2760.2 Ų60.214%0.14132%0.315CS..Hα-helixtrans-66.7-42-178.1-68.6166.2000112.4T130 S133 K137 H145 A146 T151 K152 C153T130-L149 HydrophobicContact CG2-CB 4.5Å; T130-L149 HydrophobicContact CG2-CD2 4.12Å; S133-L149 WeakPolarHBondContact O-CD1 3.49Å; K137-L149 HydrophobicContact CB-CD1 4.39Å; K137-L149 HydrophobicContact CG-CD1 3.7Å; H145-L149 WeakPolarHBondContact O-CG 3.4Å; H145-L149 PolarHBondContact O-N 2.99Å; A146-L149 PolarHBondContact O-N 3.17Å; L149-T151 VanDerWaalsContact C-N 3.29Å; L149-T151 PolarHBondContact O-N 3.47Å; L149-K152 WeakPolarHBondContact O-CB 3.5Å; L149-K152 PolarHBondContact O-N 3.07Å; L149-C153 PolarHBondContact O-N 3.05Å; L149-C153 PolarHBondContact O-SG 3.1Å
150I98.5Very high97.6Very high0 Ų055.7 Ų55.70%028%0.283CS..Hα-helixtrans-68.4-31.6176.7-162.862.2000111.8Y134 A146 L147 C153 I154 F163 Q166 R167Y134-I150 HydrophobicContact CD1-CD1 4.38Å; Y134-I150 HydrophobicContact CD2-CB 3.85Å; Y134-I150 HydrophobicContact CD2-CD1 4.49Å; Y134-I150 HydrophobicContact CE1-CD1 4.43Å; Y134-I150 HydrophobicContact CE2-CB 4Å; Y134-I150 HydrophobicContact CE2-CG1 4.43Å; Y134-I150 HydrophobicContact CG-CB 4.44Å; Y134-I150 HydrophobicContact CG-CD1 4.41Å; A146-I150 WeakPolarHBondContact O-CG2 3.5Å; A146-I150 PolarHBondContact O-N 2.94Å; L147-I150 HydrophobicContact CD1-CG2 4.37Å; L147-I150 WeakPolarHBondContact O-CG2 3.24Å; I150-C153 HydrophobicContact CD1-CB 4.18Å; I150-C153 WeakPolarHBondContact O-CB 3.32Å; I150-C153 PolarHBondContact O-N 2.92Å; I150-I154 WeakPolarHBondContact O-CG1 3.46Å; I150-I154 PolarHBondContact O-N 3.43Å; I150-F163 HydrophobicContact CD1-CB 3.77Å; I150-F163 HydrophobicContact CD1-CD1 3.82Å; I150-F163 HydrophobicContact CD1-CG 4.01Å; I150-F163 HydrophobicContact CG1-CB 4.32Å; I150-F163 WeakPolarHBondContact CG1-O 3.28Å; I150-Q166 HydrophobicContact CD1-CB 3.95Å; I150-Q166 HydrophobicContact CG1-CB 4.02Å; I150-R167 HydrophobicContact CG1-CB 4.32Å; I150-R167 HydrophobicContact CG2-CB 3.94Å; I150-R167 HydrophobicContact CG2-CG 4.22Å
151T98.2Very high97.5Very high42 Ų4253.5 Ų53.526%0.25827%0.268SS..Hα-helixtrans-63.9-43.4173.2-58.90000110.9L147 H148 L149 C153 I154 E155L147-T151 WeakPolarHBondContact O-CB 3.41Å; L147-T151 PolarHBondContact O-N 3.5Å; L147-T151 VanDerWaalsContact O-N 3.11Å; L147-T151 PolarHBondContact O-OG1 3.28Å; H148-T151 PolarHBondContact O-N 3.27Å; L149-T151 VanDerWaalsContact C-N 3.29Å; L149-T151 PolarHBondContact O-N 3.47Å; T151-C153 VanDerWaalsContact C-N 3.33Å; T151-C153 PolarHBondContact O-N 2.97Å; T151-I154 WeakPolarHBondContact O-CB 3.35Å; T151-I154 PolarHBondContact O-N 3.46Å; T151-I154 VanDerWaalsContact O-N 3.12Å; T151-E155 PolarHBondContact O-N 3.2Å
152K98.3Very high97.6Very high86 Ų8652.9 Ų52.937%0.37426%0.263SS..Hα-helixtrans-60.6-38.7171.6-73-177.4168-173.20113.1T130 H148 L149 I154 E155 L156T130-K152 HydrophobicContact CG2-CB 3.95Å; H148-K152 VanDerWaalsContact NE2-CE 3.33Å; H148-K152 WeakPolarHBondContact NE2-CE 3.39Å; H148-K152 PolarHBondContact O-N 3.01Å; H148-K152 VanDerWaalsContact O-N 3.07Å; L149-K152 WeakPolarHBondContact O-CB 3.5Å; L149-K152 PolarHBondContact O-N 3.07Å; K152-I154 VanDerWaalsContact C-N 3.29Å; K152-I154 PolarHBondContact O-N 3.21Å; K152-E155 PolarHBondContact O-N 3.46Å; K152-L156 PolarHBondContact O-N 2.94Å
153C98.6Very high97.6Very high0 Ų050.9 Ų50.90%025%0.253CS..Hα-helixtrans-61.3-40.1174.2-63.90000111.3L127 T130 L149 I150 T151 L156 A157 F163L127-C153 HydrophobicContact CD1-CB 3.72Å; T130-C153 VanDerWaalsContact CG2-SG 3.58Å; L149-C153 PolarHBondContact O-N 3.05Å; L149-C153 PolarHBondContact O-SG 3.1Å; I150-C153 HydrophobicContact CD1-CB 4.18Å; I150-C153 WeakPolarHBondContact O-CB 3.32Å; I150-C153 PolarHBondContact O-N 2.92Å; T151-C153 VanDerWaalsContact C-N 3.33Å; T151-C153 PolarHBondContact O-N 2.97Å; C153-L156 PolarHBondContact O-N 3.02Å; C153-A157 WeakPolarHBondContact O-CB 3.4Å; C153-A157 PolarHBondContact O-N 3.48Å; C153-F163 HydrophobicContact CB-CD2 3.93Å; C153-F163 HydrophobicContact CB-CE2 4.17Å; C153-F163 HydrophobicContact CB-CG 4.19Å
154I98.1Very high97.7Very high19 Ų1948.8 Ų48.810%0.09724%0.244CC..Hα-helixtrans-69.1-35.3177-66163.1000111.5I150 T151 K152 L156 A157 P158 F163 R167I150-I154 WeakPolarHBondContact O-CG1 3.46Å; I150-I154 PolarHBondContact O-N 3.43Å; T151-I154 WeakPolarHBondContact O-CB 3.35Å; T151-I154 PolarHBondContact O-N 3.46Å; T151-I154 VanDerWaalsContact O-N 3.12Å; K152-I154 VanDerWaalsContact C-N 3.29Å; K152-I154 PolarHBondContact O-N 3.21Å; I154-L156 VanDerWaalsContact C-N 3.26Å; I154-L156 PolarHBondContact O-N 3.25Å; I154-A157 CarbonylContact O-C 3.23Å; I154-A157 PolarHBondContact O-N 2.68Å; I154-P158 WeakPolarHBondContact O-CA 3.5Å; I154-F163 HydrophobicContact CD1-CB 4.4Å; I154-F163 HydrophobicContact CG1-CB 3.71Å; I154-R167 HydrophobicContact CD1-CB 4Å; I154-R167 HydrophobicContact CD1-CG 4.47Å
155E97.6Very high97.7Very high146 Ų14640.5 Ų40.568%0.68221%0.214SC*.Hα-helixtrans-60.7-36.8172.8-70.6169.1-173.800112T151 K152T151-E155 PolarHBondContact O-N 3.2Å; K152-E155 PolarHBondContact O-N 3.46Å
156L97.4Very high97.7Very high49 Ų4937.5 Ų37.526%0.25720%0.2SC..Hα-helixtrans-79-31.6175.7-66.2171.7000113.2L126 L127 K152 C153 I154L126-L156 HydrophobicContact CD2-CD1 4.11Å; L126-L156 HydrophobicContact CD2-CD2 4.2Å; L126-L156 HydrophobicContact CG-CD1 3.98Å; L127-L156 HydrophobicContact CB-CD1 4.05Å; L127-L156 HydrophobicContact CD1-CB 4.09Å; L127-L156 HydrophobicContact CD1-CD1 4.25Å; K152-L156 PolarHBondContact O-N 2.94Å; C153-L156 PolarHBondContact O-N 3.02Å; I154-L156 VanDerWaalsContact C-N 3.26Å; I154-L156 PolarHBondContact O-N 3.25Å
157A97.8Very high97.7Very high0 Ų040 Ų400%021%0.21CC..SBendtrans-129.272.1-17700000111.2L92 I93 L127 C153 I154 A159 S160 F163L92-A157 WeakPolarHBondContact O-CA 3.38Å; L92-A157 WeakPolarHBondContact O-CB 3.3Å; I93-A157 CarbonylContact O-C 3.56Å; L127-A157 HydrophobicContact CD2-CB 4.03Å; C153-A157 WeakPolarHBondContact O-CB 3.4Å; C153-A157 PolarHBondContact O-N 3.48Å; I154-A157 CarbonylContact O-C 3.23Å; I154-A157 PolarHBondContact O-N 2.68Å; A157-A159 VanDerWaalsContact C-N 3.25Å; A157-A159 PolarHBondContact O-N 2.72Å; A157-A159 VanDerWaalsContact O-N 3.15Å; A157-S160 WeakPolarHBondContact O-CB 3.45Å; A157-S160 PolarHBondContact O-N 2.98Å; A157-F163 HydrophobicContact CB-CD2 3.94Å; A157-F163 HydrophobicContact CB-CE2 3.78Å
158P95.7Very high97.7Very high83 Ų8339.2 Ų39.254%0.53921%0.206SC..THydrogen-bonded Turntrans-66.7-20.9-166.424.1-34.8000114.8I93 I154I93-P158 HydrophobicContact CG2-CG 4.44Å; I154-P158 WeakPolarHBondContact O-CA 3.5Å
159A95.3Very high97.6Very high27 Ų2736.9 Ų36.922%0.22320%0.197CC..THydrogen-bonded Turntrans-101.210.4178.200000113.1P63 I93 L94 A157 L161P63-A159 HydrophobicContact CG-CB 3.58Å; I93-A159 HydrophobicContact CG2-CB 3.73Å; I93-A159 PolarHBondContact O-N 3.33Å; L94-A159 HydrophobicContact CD2-CB 4.34Å; A157-A159 VanDerWaalsContact C-N 3.25Å; A157-A159 PolarHBondContact O-N 2.72Å; A157-A159 VanDerWaalsContact O-N 3.15Å; A159-L161 PolarHBondContact O-N 3.01Å; A159-L161 VanDerWaalsContact O-N 3.1Å
160S96.9Very high97.6Very high1 Ų135.6 Ų35.61%0.00719%0.19CC..  trans-72.1104.4179.3179.50000111.5I93 L94 A157 S162 F163 N164I93-S160 PolarHBondContact O-N 3.4Å; L94-S160 VanDerWaalsContact O-CA 3.27Å; L94-S160 WeakPolarHBondContact O-CA 3.08Å; L94-S160 VanDerWaalsContact O-CB 3.3Å; L94-S160 WeakPolarHBondContact O-CB 3.4Å; L94-S160 PolarHBondContact O-OG 2.88Å; A157-S160 WeakPolarHBondContact O-CB 3.45Å; A157-S160 PolarHBondContact O-N 2.98Å; S160-S162 VanDerWaalsContact C-N 3.29Å; S160-F163 WeakPolarHBondContact OG-CD2 3.34Å; S160-F163 VanDerWaalsContact OG-CG 3.26Å; S160-F163 WeakPolarHBondContact OG-CG 3.36Å; S160-F163 PolarHBondContact OG-N 3.02Å; S160-F163 VanDerWaalsContact OG-N 3.08Å; S160-N164 WeakPolarHBondContact O-CB 3.4Å; S160-N164 PolarHBondContact O-N 3.36Å; S160-N164 PolarHBondContact O-ND2 2.8Å
161L96.1Very high97.6Very high44 Ų4435.7 Ų35.723%0.2319%0.191CC..Hα-helixtrans-62.6-40170.8179.959.5000110.6A159 F163 N164 L165 H191 L197A159-L161 PolarHBondContact O-N 3.01Å; A159-L161 VanDerWaalsContact O-N 3.1Å; L161-F163 PolarHBondContact O-N 2.98Å; L161-N164 PolarHBondContact O-N 3.13Å; L161-L165 HydrophobicContact CD1-CD2 4.43Å; L161-L165 HydrophobicContact CD1-CG 4.16Å; L161-L165 HydrophobicContact CG-CD1 4.16Å; L161-L165 HydrophobicContact CG-CG 4.26Å; L161-L165 WeakPolarHBondContact O-CG 3.18Å; L161-L165 PolarHBondContact O-N 3.44Å; L161-H191 HydrophobicContact CD2-CB 4.43Å; L161-L197 HydrophobicContact CD1-CD1 3.93Å; L161-L197 HydrophobicContact CD1-CD2 4.32Å; L161-L197 HydrophobicContact CD1-CG 4.21Å
162S96.5Very high97.5Very high64 Ų6434.3 Ų34.345%0.44818%0.182SC..Hα-helixtrans-57.9-49.6179.6-177.70000112.1S160 N164 L165 Q166S160-S162 VanDerWaalsContact C-N 3.29Å; S162-N164 VanDerWaalsContact C-N 3.31Å; S162-N164 PolarHBondContact O-N 2.91Å; S162-L165 PolarHBondContact O-N 3.25Å; S162-Q166 WeakPolarHBondContact O-CG 3.39Å; S162-Q166 PolarHBondContact O-N 3.28Å
163F98.1Very high97.4Very high5 Ų535 Ų352%0.02219%0.186CC..Hα-helixtrans-67.4-33.3178-61-31.2000112.4L97 L127 H131 I150 C153 I154 A157 S160 L161 Q166 R167L97-F163 HydrophobicContact CD1-CZ 4.34Å; L127-F163 HydrophobicContact CD1-CE2 3.71Å; L127-F163 HydrophobicContact CD1-CZ 4.08Å; L127-F163 HydrophobicContact CD2-CE2 4.09Å; L127-F163 HydrophobicContact CD2-CZ 4.45Å; L127-F163 HydrophobicContact CG-CE2 4.3Å; L127-F163 HydrophobicContact CG-CZ 4.43Å; H131-F163 AromaticContact CD2-CD1 3.92Å; H131-F163 AromaticContact CD2-CE1 3.42Å; H131-F163 VanDerWaalsContact CD2-CE1 3.42Å; H131-F163 WeakPolarHBondContact CD2-CE1 3.03Å; H131-F163 AromaticContact CG-CE1 3.94Å; H131-F163 AromaticContact NE2-CE1 3.83Å; I150-F163 HydrophobicContact CD1-CB 3.77Å; I150-F163 HydrophobicContact CD1-CD1 3.82Å; I150-F163 HydrophobicContact CD1-CG 4.01Å; I150-F163 HydrophobicContact CG1-CB 4.32Å; I150-F163 WeakPolarHBondContact CG1-O 3.28Å; C153-F163 HydrophobicContact CB-CD2 3.93Å; C153-F163 HydrophobicContact CB-CE2 4.17Å; C153-F163 HydrophobicContact CB-CG 4.19Å; I154-F163 HydrophobicContact CD1-CB 4.4Å; I154-F163 HydrophobicContact CG1-CB 3.71Å; A157-F163 HydrophobicContact CB-CD2 3.94Å; A157-F163 HydrophobicContact CB-CE2 3.78Å; S160-F163 WeakPolarHBondContact OG-CD2 3.34Å; S160-F163 VanDerWaalsContact OG-CG 3.26Å; S160-F163 WeakPolarHBondContact OG-CG 3.36Å; S160-F163 PolarHBondContact OG-N 3.02Å; S160-F163 VanDerWaalsContact OG-N 3.08Å; L161-F163 PolarHBondContact O-N 2.98Å; F163-Q166 PolarHBondContact O-N 2.9Å; F163-R167 WeakPolarHBondContact O-CB 3.46Å; F163-R167 PolarHBondContact O-N 3.24Å
164N98Very high97.3Very high7 Ų737.1 Ų37.14%0.03720%0.197CC..Hα-helixtrans-66.6-38.8173.7-86.1-72.5000112.7S160 L161 S162 R167 L168 L187S160-N164 WeakPolarHBondContact O-CB 3.4Å; S160-N164 PolarHBondContact O-N 3.36Å; S160-N164 PolarHBondContact O-ND2 2.8Å; L161-N164 PolarHBondContact O-N 3.13Å; S162-N164 VanDerWaalsContact C-N 3.31Å; S162-N164 PolarHBondContact O-N 2.91Å; N164-R167 PolarHBondContact O-N 2.83Å; N164-R167 PolarHBondContact OD1-NH2 2.88Å; N164-L168 WeakPolarHBondContact O-CG 3.43Å; N164-L168 PolarHBondContact O-N 2.93Å; N164-L187 HydrophobicContact CB-CD1 3.7Å; N164-L187 HydrophobicContact CB-CD2 4.03Å
165L98.1Very high97.2Very high28 Ų2840.6 Ų40.615%0.14721%0.212CC..Hα-helixtrans-65.1-40.6172.8-68.4177000111.5L161 S162 L168 N169 D196 L197 Y200L161-L165 HydrophobicContact CD1-CD2 4.43Å; L161-L165 HydrophobicContact CD1-CG 4.16Å; L161-L165 HydrophobicContact CG-CD1 4.16Å; L161-L165 HydrophobicContact CG-CG 4.26Å; L161-L165 WeakPolarHBondContact O-CG 3.18Å; L161-L165 PolarHBondContact O-N 3.44Å; S162-L165 PolarHBondContact O-N 3.25Å; L165-L168 HydrophobicContact CD2-CD1 4.21Å; L165-L168 WeakPolarHBondContact O-CB 3.39Å; L165-L168 PolarHBondContact O-N 3.41Å; L165-N169 PolarHBondContact O-N 2.88Å; L165-D196 HydrophobicContact CD1-CB 3.79Å; L165-D196 HydrophobicContact CD2-CB 3.62Å; L165-D196 HydrophobicContact CG-CB 4.36Å; L165-L197 HydrophobicContact CD2-CD2 3.64Å; L165-L197 HydrophobicContact CD2-CG 4.13Å; L165-Y200 HydrophobicContact CD2-CD2 4.1Å; L165-Y200 HydrophobicContact CD2-CE2 4.12Å
166Q98.1Very high97.2Very high41 Ų4138.7 Ų38.719%0.19220%0.198CC..Hα-helixtrans-60.9-43.5172.6-72.5172.420.100111.4H131 Y134 I150 S162 F163 L168 N169 I170H131-Q166 PolarHBondContact NE2-OE1 2.94Å; Y134-Q166 HydrophobicContact CE1-CB 4.41Å; Y134-Q166 HydrophobicContact CE1-CG 4.4Å; Y134-Q166 VanDerWaalsContact CE1-OE1 3.26Å; I150-Q166 HydrophobicContact CD1-CB 3.95Å; I150-Q166 HydrophobicContact CG1-CB 4.02Å; S162-Q166 WeakPolarHBondContact O-CG 3.39Å; S162-Q166 PolarHBondContact O-N 3.28Å; F163-Q166 PolarHBondContact O-N 2.9Å; Q166-L168 PolarHBondContact O-N 3.29Å; Q166-N169 WeakPolarHBondContact O-CB 3.46Å; Q166-N169 PolarHBondContact O-N 3.27Å; Q166-I170 WeakPolarHBondContact O-CG1 3.39Å; Q166-I170 PolarHBondContact O-N 2.83Å
167R98.5Very high97.2Very high52 Ų5237.5 Ų37.520%0.19619%0.191CC..Hα-helixtrans-60.7-43.8173.9-177.9169.664.7163.4-4111.9L147 I150 I154 F163 N164 N169 I170 L171 L183L147-R167 HydrophobicContact CD1-CG 3.83Å; I150-R167 HydrophobicContact CG1-CB 4.32Å; I150-R167 HydrophobicContact CG2-CB 3.94Å; I150-R167 HydrophobicContact CG2-CG 4.22Å; I154-R167 HydrophobicContact CD1-CB 4Å; I154-R167 HydrophobicContact CD1-CG 4.47Å; F163-R167 WeakPolarHBondContact O-CB 3.46Å; F163-R167 PolarHBondContact O-N 3.24Å; N164-R167 PolarHBondContact O-N 2.83Å; N164-R167 PolarHBondContact OD1-NH2 2.88Å; R167-N169 VanDerWaalsContact C-N 3.34Å; R167-N169 PolarHBondContact O-N 2.94Å; R167-I170 PolarHBondContact O-N 3.45Å; R167-L171 HydrophobicContact CG-CD1 4.19Å; R167-L171 HydrophobicContact CG-CG 4.4Å; R167-L171 WeakPolarHBondContact O-CG 3.43Å; R167-L171 PolarHBondContact O-N 2.93Å; R167-L183 HydrophobicContact CG-CD2 4.22Å; R167-L183 VanDerWaalsContact NE-CD2 3.27Å
168L98.5Very high97.2Very high0 Ų042.3 Ų42.30%022%0.22CC..Hα-helixtrans-57.7-46.2175.6-77.1170.4000111.7N164 L165 Q166 I170 L171 I172 A180 L183 V184 L187 L197 Y200N164-L168 WeakPolarHBondContact O-CG 3.43Å; N164-L168 PolarHBondContact O-N 2.93Å; L165-L168 HydrophobicContact CD2-CD1 4.21Å; L165-L168 WeakPolarHBondContact O-CB 3.39Å; L165-L168 PolarHBondContact O-N 3.41Å; Q166-L168 PolarHBondContact O-N 3.29Å; L168-I170 VanDerWaalsContact C-N 3.31Å; L168-I170 PolarHBondContact O-N 3.01Å; L168-L171 PolarHBondContact O-N 3.41Å; L168-I172 WeakPolarHBondContact O-CG1 3.45Å; L168-I172 PolarHBondContact O-N 3.47Å; L168-A180 HydrophobicContact CD2-CB 4.05Å; L168-A180 WeakPolarHBondContact CD2-O 3.43Å; L168-L183 HydrophobicContact CD2-CB 4Å; L168-L183 HydrophobicContact CD2-CD2 3.7Å; L168-L183 HydrophobicContact CD2-CG 3.89Å; L168-L183 HydrophobicContact CG-CD2 3.82Å; L168-L183 HydrophobicContact CG-CG 4.22Å; L168-V184 HydrophobicContact CD1-CG2 3.75Å; L168-V184 HydrophobicContact CD2-CG2 3.59Å; L168-V184 HydrophobicContact CG-CG2 4.34Å; L168-L187 HydrophobicContact CD1-CD1 4.18Å; L168-L197 HydrophobicContact CD1-CD2 3.71Å; L168-Y200 HydrophobicContact CB-CD1 4.09Å; L168-Y200 HydrophobicContact CB-CD2 4.29Å; L168-Y200 HydrophobicContact CB-CE1 4.05Å; L168-Y200 HydrophobicContact CB-CE2 4.26Å; L168-Y200 HydrophobicContact CB-CG 4.23Å; L168-Y200 HydrophobicContact CD1-CD2 4.01Å; L168-Y200 HydrophobicContact CD1-CG 4.12Å
169N97.1Very high97.3Very high54 Ų5441.9 Ų41.929%0.28921%0.211SC..Hα-helixtrans-55.2-47.2176.4-173.842.1000111.8L165 Q166 R167 L171 I172 Q173 Y200L165-N169 PolarHBondContact O-N 2.88Å; Q166-N169 WeakPolarHBondContact O-CB 3.46Å; Q166-N169 PolarHBondContact O-N 3.27Å; R167-N169 VanDerWaalsContact C-N 3.34Å; R167-N169 PolarHBondContact O-N 2.94Å; N169-L171 PolarHBondContact O-N 3.43Å; N169-I172 PolarHBondContact O-N 3.05Å; N169-Q173 WeakPolarHBondContact O-CG 3.5Å; N169-Q173 PolarHBondContact O-N 2.87Å; N169-Y200 WeakPolarHBondContact CB-OH 3.34Å
170I98Very high97.4Very high0 Ų040.6 Ų40.60%020%0.201CC..Hα-helixtrans-65.3-40179.4-59.1-61.5000112.2Y134 L138 F143 A146 L147 Q166 R167 L168 I172 Q173 L174Y134-I170 HydrophobicContact CE2-CD1 4.18Å; Y134-I170 HydrophobicContact CE2-CG1 4.02Å; L138-I170 HydrophobicContact CD1-CD1 3.64Å; F143-I170 HydrophobicContact CB-CG2 4.21Å; F143-I170 HydrophobicContact CD1-CD1 3.81Å; F143-I170 HydrophobicContact CE1-CD1 4.44Å; F143-I170 VanDerWaalsContact O-CG2 3.24Å; F143-I170 WeakPolarHBondContact O-CG2 3.46Å; A146-I170 HydrophobicContact CB-CD1 4.15Å; L147-I170 HydrophobicContact CB-CG2 3.74Å; L147-I170 HydrophobicContact CD1-CG2 4.22Å; L147-I170 HydrophobicContact CG-CG2 4.49Å; Q166-I170 WeakPolarHBondContact O-CG1 3.39Å; Q166-I170 PolarHBondContact O-N 2.83Å; R167-I170 PolarHBondContact O-N 3.45Å; L168-I170 VanDerWaalsContact C-N 3.31Å; L168-I170 PolarHBondContact O-N 3.01Å; I170-I172 VanDerWaalsContact C-N 3.28Å; I170-I172 PolarHBondContact O-N 3.24Å; I170-Q173 PolarHBondContact O-N 2.94Å; I170-L174 HydrophobicContact CG2-CD1 3.85Å; I170-L174 HydrophobicContact CG2-CG 4.32Å; I170-L174 WeakPolarHBondContact O-CB 3.46Å; I170-L174 WeakPolarHBondContact O-CG 3.33Å; I170-L174 PolarHBondContact O-N 3.27Å
171L98.3Very high97.5Very high1 Ų143.6 Ų43.61%0.00521%0.214CC..Hα-helixtrans-61.1-39175.8-70172.7000111.7L147 R167 L168 N169 L174 K175 R176 E179 A180 L183L147-L171 HydrophobicContact CD1-CD2 3.99Å; L147-L171 HydrophobicContact CD1-CG 4.25Å; L147-L171 HydrophobicContact CD2-CD2 4.02Å; R167-L171 HydrophobicContact CG-CD1 4.19Å; R167-L171 HydrophobicContact CG-CG 4.4Å; R167-L171 WeakPolarHBondContact O-CG 3.43Å; R167-L171 PolarHBondContact O-N 2.93Å; L168-L171 PolarHBondContact O-N 3.41Å; N169-L171 PolarHBondContact O-N 3.43Å; L171-L174 PolarHBondContact O-N 3.26Å; L171-K175 PolarHBondContact O-N 2.94Å; L171-R176 HydrophobicContact CB-CB 4.39Å; L171-R176 HydrophobicContact CD2-CB 3.9Å; L171-R176 PolarHBondContact O-N 3.33Å; L171-E179 HydrophobicContact CD1-CG 4.12Å; L171-E179 HydrophobicContact CD2-CG 4.22Å; L171-E179 WeakPolarHBondContact CD2-OE2 3.45Å; L171-A180 HydrophobicContact CB-CB 3.94Å; L171-A180 HydrophobicContact CD1-CB 4.28Å; L171-L183 HydrophobicContact CD1-CD2 4.15Å
172I97.2Very high97.6Very high13 Ų1344.3 Ų44.37%0.06722%0.223CC..Hα-helixtrans-63.9-46.4174-63.3-58.4000111L168 N169 I170 L174 K175 F177 A180 Y200 L203 Y207L168-I172 WeakPolarHBondContact O-CG1 3.45Å; L168-I172 PolarHBondContact O-N 3.47Å; N169-I172 PolarHBondContact O-N 3.05Å; I170-I172 VanDerWaalsContact C-N 3.28Å; I170-I172 PolarHBondContact O-N 3.24Å; I172-L174 VanDerWaalsContact C-N 3.29Å; I172-L174 PolarHBondContact O-N 3.05Å; I172-K175 PolarHBondContact O-N 3.32Å; I172-F177 HydrophobicContact CD1-CD1 3.82Å; I172-F177 HydrophobicContact CD1-CE1 4.26Å; I172-F177 HydrophobicContact CG2-CE1 4.28Å; I172-A180 HydrophobicContact CD1-CB 4.03Å; I172-Y200 HydrophobicContact CG1-CD1 4.18Å; I172-Y200 HydrophobicContact CG1-CE1 4.11Å; I172-L203 HydrophobicContact CD1-CD2 4.36Å; I172-L203 HydrophobicContact CG1-CD2 4.14Å; I172-L203 HydrophobicContact CG2-CD2 4.09Å; I172-Y207 HydrophobicContact CG2-CD2 4.5Å; I172-Y207 HydrophobicContact CG2-CE2 4.06Å
173Q95.6Very high97.7Very high100 Ų10042.1 Ų42.147%0.46721%0.205SC..Hα-helixtrans-61.9-36.2177.8-65-57.1-40.800112.7F143 N169 I170 K175F143-Q173 HydrophobicContact CD1-CB 4.13Å; F143-Q173 HydrophobicContact CD1-CG 4.43Å; F143-Q173 HydrophobicContact CD2-CB 4.25Å; F143-Q173 HydrophobicContact CE1-CB 4.17Å; F143-Q173 HydrophobicContact CE1-CG 4.07Å; F143-Q173 HydrophobicContact CE2-CB 4.29Å; F143-Q173 HydrophobicContact CG-CB 4.17Å; F143-Q173 HydrophobicContact CZ-CB 4.25Å; F143-Q173 HydrophobicContact CZ-CG 4.23Å; N169-Q173 WeakPolarHBondContact O-CG 3.5Å; N169-Q173 PolarHBondContact O-N 2.87Å; I170-Q173 PolarHBondContact O-N 2.94Å; Q173-K175 PolarHBondContact O-N 3.17Å
174L96.8Very high97.7Very high45 Ų4541.9 Ų41.924%0.23621%0.205CC..THydrogen-bonded Turntrans-79.33.4175.3-70.6173.7000113.7F143 R144 L147 I170 L171 I172 R176F143-L174 HydrophobicContact CB-CD1 4.36Å; F143-L174 HydrophobicContact CB-CD2 3.61Å; F143-L174 HydrophobicContact CB-CG 3.82Å; R144-L174 HydrophobicContact CG-CD2 3.99Å; L147-L174 HydrophobicContact CB-CD1 4.19Å; L147-L174 HydrophobicContact CD2-CD1 3.77Å; I170-L174 HydrophobicContact CG2-CD1 3.85Å; I170-L174 HydrophobicContact CG2-CG 4.32Å; I170-L174 WeakPolarHBondContact O-CB 3.46Å; I170-L174 WeakPolarHBondContact O-CG 3.33Å; I170-L174 PolarHBondContact O-N 3.27Å; L171-L174 PolarHBondContact O-N 3.26Å; I172-L174 VanDerWaalsContact C-N 3.29Å; I172-L174 PolarHBondContact O-N 3.05Å; L174-R176 HydrophobicContact CB-CG 4.12Å; L174-R176 PolarHBondContact O-N 3.42Å
175K96.2Very high97.6Very high92 Ų9245 Ų4540%0.422%0.219SC..THydrogen-bonded Turntrans56.926.5-175.3-52.3-169.7-175-177.10114.4L171 I172 Q173 F177 D275L171-K175 PolarHBondContact O-N 2.94Å; I172-K175 PolarHBondContact O-N 3.32Å; Q173-K175 PolarHBondContact O-N 3.17Å; K175-F177 HydrophobicContact CB-CD2 4.47Å; K175-F177 HydrophobicContact CB-CE1 4.49Å; K175-F177 HydrophobicContact CB-CE2 3.72Å; K175-F177 HydrophobicContact CB-CZ 3.73Å; K175-F177 HydrophobicContact CG-CE2 4.26Å; K175-F177 HydrophobicContact CG-CZ 3.92Å; K175-F177 WeakPolarHBondContact O-CD2 3.36Å; K175-F177 PolarHBondContact O-N 2.67Å; K175-F177 VanDerWaalsContact O-N 3.12Å; K175-D275 WeakPolarHBondContact CD-OD2 3.34Å; K175-D275 WeakPolarHBondContact CE-OD2 3.34Å; K175-D275 IonicContact NZ-OD1 2.72Å; K175-D275 PolarHBondContact NZ-OD1 3.24Å; K175-D275 IonicContact NZ-OD2 2.68Å; K175-D275 PolarHBondContact NZ-OD2 2.9Å
176R97.3Very high97.4Very high107 Ų10748.5 Ų48.540%0.40424%0.238SC..  trans-87.655.9177.3-68.6170.766.7161-2.9110.8L171 L174 T178 E179 A180L171-R176 HydrophobicContact CB-CB 4.39Å; L171-R176 HydrophobicContact CD2-CB 3.9Å; L171-R176 PolarHBondContact O-N 3.33Å; L174-R176 HydrophobicContact CB-CG 4.12Å; L174-R176 PolarHBondContact O-N 3.42Å; R176-T178 PolarHBondContact O-N 2.89Å; R176-E179 IonicContact CZ-OE1 3.7Å; R176-E179 IonicContact CZ-OE2 3.44Å; R176-E179 IonicContact NE-OE2 3.57Å; R176-E179 PolarHBondContact NE-OE2 2.9Å; R176-E179 IonicContact NH2-OE1 3.17Å; R176-E179 PolarHBondContact NH2-OE1 3.45Å; R176-E179 IonicContact NH2-OE2 3.91Å; R176-E179 PolarHBondContact NH2-OE2 3.39Å; R176-E179 PolarHBondContact O-N 3.09Å; R176-A180 PolarHBondContact O-N 2.83Å
177F97.4Very high97.4Very high23 Ų2347.4 Ų47.410%0.10123%0.233CC..Hα-helixtrans-66.4-32.9-169.2-52.1-57.8000114.3I172 K175 A180 K181 Y207 L208I172-F177 HydrophobicContact CD1-CD1 3.82Å; I172-F177 HydrophobicContact CD1-CE1 4.26Å; I172-F177 HydrophobicContact CG2-CE1 4.28Å; K175-F177 HydrophobicContact CB-CD2 4.47Å; K175-F177 HydrophobicContact CB-CE1 4.49Å; K175-F177 HydrophobicContact CB-CE2 3.72Å; K175-F177 HydrophobicContact CB-CZ 3.73Å; K175-F177 HydrophobicContact CG-CE2 4.26Å; K175-F177 HydrophobicContact CG-CZ 3.92Å; K175-F177 WeakPolarHBondContact O-CD2 3.36Å; K175-F177 PolarHBondContact O-N 2.67Å; K175-F177 VanDerWaalsContact O-N 3.12Å; F177-A180 PolarHBondContact O-N 2.61Å; F177-K181 WeakPolarHBondContact O-CB 3.36Å; F177-K181 PolarHBondContact O-N 3.05Å; F177-Y207 AromaticContact CD1-CD2 3.95Å; F177-Y207 HydrophobicContact CD1-CD2 3.95Å; F177-Y207 AromaticContact CD1-CG 3.88Å; F177-Y207 HydrophobicContact CD1-CG 3.88Å; F177-Y207 HydrophobicContact CD2-CG 4.5Å; F177-Y207 AromaticContact CE1-CD1 4Å; F177-Y207 HydrophobicContact CE1-CD1 4Å; F177-Y207 AromaticContact CE1-CD2 3.51Å; F177-Y207 HydrophobicContact CE1-CD2 3.51Å; F177-Y207 HydrophobicContact CE1-CE2 4.18Å; F177-Y207 AromaticContact CE1-CG 3.42Å; F177-Y207 HydrophobicContact CE1-CG 3.42Å; F177-Y207 VanDerWaalsContact CE1-CG 3.42Å; F177-Y207 HydrophobicContact CE2-CD1 4.23Å; F177-Y207 HydrophobicContact CE2-CG 4.09Å; F177-Y207 HydrophobicContact CG-CG 4.39Å; F177-Y207 AromaticContact CZ-CD1 3.66Å; F177-Y207 HydrophobicContact CZ-CD1 3.66Å; F177-Y207 HydrophobicContact CZ-CD2 4.07Å; F177-Y207 HydrophobicContact CZ-CE1 4.33Å; F177-Y207 AromaticContact CZ-CG 3.53Å; F177-Y207 HydrophobicContact CZ-CG 3.53Å; F177-L208 HydrophobicContact CB-CD2 3.92Å; F177-L208 HydrophobicContact CB-CG 4.02Å
178T97.4Very high97.2Very high101 Ų10145.8 Ų45.862%0.6223%0.228SC*.Hα-helixtrans-66.7-42178.649.30000111.9R176 K181 S182 L208R176-T178 PolarHBondContact O-N 2.89Å; T178-K181 PolarHBondContact O-N 3.14Å; T178-S182 PolarHBondContact O-N 3.13Å; T178-S182 VanDerWaalsContact O-N 3.13Å; T178-L208 HydrophobicContact CG2-CD2 3.9Å
179E98Very high96.9Very high74 Ų7453.5 Ų53.535%0.34626%0.264SS..Hα-helixtrans-69.5-42.2175.2-175.2180-169.100111.7L171 R176 K181 S182 L183L171-E179 HydrophobicContact CD1-CG 4.12Å; L171-E179 HydrophobicContact CD2-CG 4.22Å; L171-E179 WeakPolarHBondContact CD2-OE2 3.45Å; R176-E179 IonicContact CZ-OE1 3.7Å; R176-E179 IonicContact CZ-OE2 3.44Å; R176-E179 IonicContact NE-OE2 3.57Å; R176-E179 PolarHBondContact NE-OE2 2.9Å; R176-E179 IonicContact NH2-OE1 3.17Å; R176-E179 PolarHBondContact NH2-OE1 3.45Å; R176-E179 IonicContact NH2-OE2 3.91Å; R176-E179 PolarHBondContact NH2-OE2 3.39Å; R176-E179 PolarHBondContact O-N 3.09Å; E179-K181 VanDerWaalsContact C-N 3.28Å; E179-K181 PolarHBondContact O-N 2.81Å; E179-S182 PolarHBondContact O-N 3.18Å; E179-L183 WeakPolarHBondContact O-CB 3.37Å; E179-L183 PolarHBondContact O-N 3.16Å
180A98.5Very high96.5Very high0 Ų054.9 Ų54.90%028%0.278CS..Hα-helixtrans-57.1-43.9173.200000111.2L168 L171 I172 R176 F177 L183 V184L168-A180 HydrophobicContact CD2-CB 4.05Å; L168-A180 WeakPolarHBondContact CD2-O 3.43Å; L171-A180 HydrophobicContact CB-CB 3.94Å; L171-A180 HydrophobicContact CD1-CB 4.28Å; I172-A180 HydrophobicContact CD1-CB 4.03Å; R176-A180 PolarHBondContact O-N 2.83Å; F177-A180 PolarHBondContact O-N 2.61Å; A180-L183 PolarHBondContact O-N 3.34Å; A180-V184 WeakPolarHBondContact O-CG2 3.39Å; A180-V184 PolarHBondContact O-N 2.93Å
181K98.1Very high96.2Very high64 Ų6457.8 Ų57.828%0.27829%0.292SS..Hα-helixtrans-58.8-49.8176.6-177.9-177.4171.2-67.50112F177 T178 E179 L183 V184 E185 C204 L208F177-K181 WeakPolarHBondContact O-CB 3.36Å; F177-K181 PolarHBondContact O-N 3.05Å; T178-K181 PolarHBondContact O-N 3.14Å; E179-K181 VanDerWaalsContact C-N 3.28Å; E179-K181 PolarHBondContact O-N 2.81Å; K181-L183 VanDerWaalsContact C-N 3.29Å; K181-L183 PolarHBondContact O-N 2.9Å; K181-V184 PolarHBondContact O-N 2.97Å; K181-E185 WeakPolarHBondContact CE-OE1 3.25Å; K181-E185 IonicContact NZ-OE1 2.81Å; K181-E185 PolarHBondContact NZ-OE1 3.49Å; K181-E185 IonicContact NZ-OE2 3.52Å; K181-E185 PolarHBondContact NZ-OE2 3.11Å; K181-E185 WeakPolarHBondContact O-CG 3.49Å; K181-E185 PolarHBondContact O-N 3.18Å; K181-C204 HydrophobicContact CB-CB 3.97Å; K181-C204 HydrophobicContact CG-CB 4.48Å; K181-L208 HydrophobicContact CB-CD1 4.32Å; K181-L208 HydrophobicContact CD-CD1 3.8Å
182S98Very high95.8Very high60 Ų6061.9 Ų61.942%0.4232%0.32SS..Hα-helixtrans-58.6-43.1178.4179.90000111.4T178 E179 E185 N186T178-S182 PolarHBondContact O-N 3.13Å; T178-S182 VanDerWaalsContact O-N 3.13Å; E179-S182 PolarHBondContact O-N 3.18Å; S182-E185 PolarHBondContact O-N 2.85Å; S182-N186 VanDerWaalsContact O-CG 3.28Å; S182-N186 PolarHBondContact O-N 2.72Å; S182-N186 PolarHBondContact O-ND2 3Å
183L97.7Very high95.5Very high17 Ų1766.1 Ų66.19%0.08935%0.351CS..Hα-helixtrans-63.3-45.9177177.555.9000112.7R167 L168 L171 E179 A180 K181 E185 N186 L187R167-L183 HydrophobicContact CG-CD2 4.22Å; R167-L183 VanDerWaalsContact NE-CD2 3.27Å; L168-L183 HydrophobicContact CD2-CB 4Å; L168-L183 HydrophobicContact CD2-CD2 3.7Å; L168-L183 HydrophobicContact CD2-CG 3.89Å; L168-L183 HydrophobicContact CG-CD2 3.82Å; L168-L183 HydrophobicContact CG-CG 4.22Å; L171-L183 HydrophobicContact CD1-CD2 4.15Å; E179-L183 WeakPolarHBondContact O-CB 3.37Å; E179-L183 PolarHBondContact O-N 3.16Å; A180-L183 PolarHBondContact O-N 3.34Å; K181-L183 VanDerWaalsContact C-N 3.29Å; K181-L183 PolarHBondContact O-N 2.9Å; L183-E185 VanDerWaalsContact C-N 3.31Å; L183-E185 PolarHBondContact O-N 2.92Å; L183-N186 PolarHBondContact O-N 3.14Å; L183-L187 HydrophobicContact CD1-CD1 3.68Å; L183-L187 HydrophobicContact CD1-CD2 4.47Å; L183-L187 HydrophobicContact CD1-CG 3.88Å; L183-L187 HydrophobicContact CG-CD1 3.76Å; L183-L187 HydrophobicContact CG-CG 4.39Å; L183-L187 VanDerWaalsContact O-CG 3.31Å; L183-L187 WeakPolarHBondContact O-CG 3.4Å; L183-L187 PolarHBondContact O-N 3.24Å
184V98.2Very high95.5Very high1 Ų162.1 Ų62.11%0.00633%0.334CS..Hα-helixtrans-59-44.3176.3171.60000111.1L168 A180 K181 N186 L187 L188 L197 R201L168-V184 HydrophobicContact CD1-CG2 3.75Å; L168-V184 HydrophobicContact CD2-CG2 3.59Å; L168-V184 HydrophobicContact CG-CG2 4.34Å; A180-V184 WeakPolarHBondContact O-CG2 3.39Å; A180-V184 PolarHBondContact O-N 2.93Å; K181-V184 PolarHBondContact O-N 2.97Å; V184-N186 VanDerWaalsContact C-N 3.33Å; V184-N186 PolarHBondContact O-N 3.11Å; V184-L187 PolarHBondContact O-N 3.24Å; V184-L188 HydrophobicContact CG1-CD1 3.68Å; V184-L188 HydrophobicContact CG1-CG 4.15Å; V184-L188 WeakPolarHBondContact O-CB 3.38Å; V184-L188 WeakPolarHBondContact O-CG 3.44Å; V184-L188 PolarHBondContact O-N 3.42Å; V184-L197 WeakPolarHBondContact CG1-O 3.48Å; V184-R201 HydrophobicContact CG1-CB 3.74Å; V184-R201 HydrophobicContact CG1-CG 4.43Å
185E96.2Very high95.5Very high73 Ų7361.4 Ų61.434%0.34133%0.331SS..Hα-helixtrans-59.7-44.9178.4-74.7173.7157.100110.9K181 S182 L183 H189K181-E185 WeakPolarHBondContact CE-OE1 3.25Å; K181-E185 IonicContact NZ-OE1 2.81Å; K181-E185 PolarHBondContact NZ-OE1 3.49Å; K181-E185 IonicContact NZ-OE2 3.52Å; K181-E185 PolarHBondContact NZ-OE2 3.11Å; K181-E185 WeakPolarHBondContact O-CG 3.49Å; K181-E185 PolarHBondContact O-N 3.18Å; S182-E185 PolarHBondContact O-N 2.85Å; L183-E185 VanDerWaalsContact C-N 3.31Å; L183-E185 PolarHBondContact O-N 2.92Å; E185-H189 PolarHBondContact O-CE1 3.45Å; E185-H189 VanDerWaalsContact O-CE1 3.24Å; E185-H189 PolarHBondContact O-ND1 3.32Å
186N95.2Very high95.5Very high101 Ų10160.3 Ų60.354%0.5433%0.33SS..Hα-helixtrans-62.4-46.7176.7-67-27.7000112.4S182 L183 V184 L188 H189S182-N186 VanDerWaalsContact O-CG 3.28Å; S182-N186 PolarHBondContact O-N 2.72Å; S182-N186 PolarHBondContact O-ND2 3Å; L183-N186 PolarHBondContact O-N 3.14Å; V184-N186 VanDerWaalsContact C-N 3.33Å; V184-N186 PolarHBondContact O-N 3.11Å; N186-L188 PolarHBondContact O-N 3.35Å; N186-H189 PolarHBondContact O-N 3.48Å
187L96.6Very high95.6Very high18 Ų1855.2 Ų55.29%0.09431%0.311CS..Hα-helixtrans-69.6-31.4-177.1-66.4167.2000113.3N164 L168 L183 V184 H189 S190 H191 L197N164-L187 HydrophobicContact CB-CD1 3.7Å; N164-L187 HydrophobicContact CB-CD2 4.03Å; L168-L187 HydrophobicContact CD1-CD1 4.18Å; L183-L187 HydrophobicContact CD1-CD1 3.68Å; L183-L187 HydrophobicContact CD1-CD2 4.47Å; L183-L187 HydrophobicContact CD1-CG 3.88Å; L183-L187 HydrophobicContact CG-CD1 3.76Å; L183-L187 HydrophobicContact CG-CG 4.39Å; L183-L187 VanDerWaalsContact O-CG 3.31Å; L183-L187 WeakPolarHBondContact O-CG 3.4Å; L183-L187 PolarHBondContact O-N 3.24Å; V184-L187 PolarHBondContact O-N 3.24Å; L187-H189 PolarHBondContact O-N 3.38Å; L187-S190 PolarHBondContact O-N 2.86Å; L187-S190 PolarHBondContact O-OG 2.89Å; L187-H191 PolarHBondContact O-N 3.33Å; L187-L197 HydrophobicContact CB-CD1 3.59Å; L187-L197 HydrophobicContact CB-CD2 3.92Å; L187-L197 HydrophobicContact CB-CG 4.44Å; L187-L197 HydrophobicContact CD1-CD2 3.76Å
188L95.8Very high95.6Very high18 Ų1855 Ų559%0.09431%0.311CS..Hα-helixtrans-66.8-20.6178-79.9172.7000113.2V184 N186 S190 S192 L197 L198 R201V184-L188 HydrophobicContact CG1-CD1 3.68Å; V184-L188 HydrophobicContact CG1-CG 4.15Å; V184-L188 WeakPolarHBondContact O-CB 3.38Å; V184-L188 WeakPolarHBondContact O-CG 3.44Å; V184-L188 PolarHBondContact O-N 3.42Å; N186-L188 PolarHBondContact O-N 3.35Å; L188-S190 VanDerWaalsContact C-N 3.33Å; L188-S192 VanDerWaalsContact O-CA 3.22Å; L188-S192 WeakPolarHBondContact O-CA 3.3Å; L188-S192 WeakPolarHBondContact O-CB 3.47Å; L188-S192 PolarHBondContact O-N 3.36Å; L188-L197 HydrophobicContact CD2-CB 3.57Å; L188-L197 HydrophobicContact CD2-CD1 4.19Å; L188-L197 HydrophobicContact CG-CB 4Å; L188-L197 HydrophobicContact CG-CD1 4.4Å; L188-L198 HydrophobicContact CD2-CD2 3.93Å; L188-L198 HydrophobicContact CD2-CG 4.32Å; L188-R201 HydrophobicContact CD1-CB 4.44Å
189H91.9Very high95.6Very high161 Ų16151.2 Ų51.275%0.74529%0.285SS*.Hα-helixtrans-65.6-36.7174-68.889.5000111.9E185 N186 L187E185-H189 PolarHBondContact O-CE1 3.45Å; E185-H189 VanDerWaalsContact O-CE1 3.24Å; E185-H189 PolarHBondContact O-ND1 3.32Å; N186-H189 PolarHBondContact O-N 3.48Å; L187-H189 PolarHBondContact O-N 3.38Å
190S87.7Confident95.7Very high84 Ų8449 Ų4959%0.58727%0.274SS*.Hα-helixtrans-97.4-21.3178.958.50000113.8L187 L188L187-S190 PolarHBondContact O-N 2.86Å; L187-S190 PolarHBondContact O-OG 2.89Å; L188-S190 VanDerWaalsContact C-N 3.33Å
191H91.4Very high95.6Very high61 Ų6153.6 Ų53.628%0.28229%0.292SS..  trans-130.254.1-176.8-56.8-72.6000111.8L161 L187 S193 S194 L197L161-H191 HydrophobicContact CD2-CB 4.43Å; L187-H191 PolarHBondContact O-N 3.33Å; H191-S193 PolarHBondContact O-N 2.89Å; H191-S193 VanDerWaalsContact O-N 3.11Å; H191-S194 WeakPolarHBondContact O-CB 3.47Å; H191-S194 PolarHBondContact O-N 3.37Å; H191-L197 HydrophobicContact CB-CD1 3.76Å
192S91.3Very high95.6Very high87 Ų8750.6 Ų50.661%0.60828%0.278SS*.THydrogen-bonded Turntrans-59.7-25.2-171.960.20000115L188L188-S192 VanDerWaalsContact O-CA 3.22Å; L188-S192 WeakPolarHBondContact O-CA 3.3Å; L188-S192 WeakPolarHBondContact O-CB 3.47Å; L188-S192 PolarHBondContact O-N 3.36Å
193S90.7Very high95.6Very high102 Ų10248.3 Ų48.371%0.71326%0.261SS*.THydrogen-bonded Turntrans-96.23179.258.10000114.5H191 V195H191-S193 PolarHBondContact O-N 2.89Å; H191-S193 VanDerWaalsContact O-N 3.11Å; S193-V195 PolarHBondContact O-N 2.84Å; S193-V195 VanDerWaalsContact O-N 3.16Å
194S95.4Very high95.6Very high16 Ų1647.5 Ų47.511%0.11226%0.257CS..  trans-68.1114.9179.7172.60000111.1H191 D196 L197 L198H191-S194 WeakPolarHBondContact O-CB 3.47Å; H191-S194 PolarHBondContact O-N 3.37Å; S194-D196 VanDerWaalsContact C-N 3.28Å; S194-D196 PolarHBondContact O-N 2.96Å; S194-L197 PolarHBondContact O-N 3.29Å; S194-L197 PolarHBondContact OG-N 3.22Å; S194-L198 WeakPolarHBondContact O-CG 3.4Å; S194-L198 PolarHBondContact O-N 3.35Å
195V96.7Very high95.6Very high29 Ų2948.2 Ų48.218%0.17626%0.261CS..Hα-helixtrans-56.9-44178.1-168.40000111.1S193 L198 F199 V221 H225S193-V195 PolarHBondContact O-N 2.84Å; S193-V195 VanDerWaalsContact O-N 3.16Å; V195-L198 PolarHBondContact O-N 3.05Å; V195-F199 WeakPolarHBondContact O-CB 3.09Å; V195-F199 PolarHBondContact O-N 2.92Å; V195-V221 HydrophobicContact CG1-CG1 3.86Å; V195-H225 HydrophobicContact CG1-CB 4.15Å; V195-H225 WeakPolarHBondContact CG2-CD2 3.47Å; V195-H225 WeakPolarHBondContact CG2-NE2 3.42Å
196D96.9Very high95.7Very high70 Ų7044.9 Ų44.937%0.37425%0.245SC..Hα-helixtrans-61.6-45.6179-59.1-68.3000111.8L165 S194 L198 F199 Y200L165-D196 HydrophobicContact CD1-CB 3.79Å; L165-D196 HydrophobicContact CD2-CB 3.62Å; L165-D196 HydrophobicContact CG-CB 4.36Å; S194-D196 VanDerWaalsContact C-N 3.28Å; S194-D196 PolarHBondContact O-N 2.96Å; D196-L198 PolarHBondContact O-N 3.39Å; D196-F199 WeakPolarHBondContact O-CB 3.5Å; D196-F199 PolarHBondContact O-N 2.78Å; D196-Y200 WeakPolarHBondContact O-CD2 3.26Å; D196-Y200 PolarHBondContact O-N 2.93Å
197L97.9Very high95.8Very high0 Ų041 Ų410%022%0.223CC..Hα-helixtrans-66-39.1178.6-67.2179.6000112.1L161 L165 L168 V184 L187 L188 H191 S194 F199 Y200 R201L161-L197 HydrophobicContact CD1-CD1 3.93Å; L161-L197 HydrophobicContact CD1-CD2 4.32Å; L161-L197 HydrophobicContact CD1-CG 4.21Å; L165-L197 HydrophobicContact CD2-CD2 3.64Å; L165-L197 HydrophobicContact CD2-CG 4.13Å; L168-L197 HydrophobicContact CD1-CD2 3.71Å; V184-L197 WeakPolarHBondContact CG1-O 3.48Å; L187-L197 HydrophobicContact CB-CD1 3.59Å; L187-L197 HydrophobicContact CB-CD2 3.92Å; L187-L197 HydrophobicContact CB-CG 4.44Å; L187-L197 HydrophobicContact CD1-CD2 3.76Å; L188-L197 HydrophobicContact CD2-CB 3.57Å; L188-L197 HydrophobicContact CD2-CD1 4.19Å; L188-L197 HydrophobicContact CG-CB 4Å; L188-L197 HydrophobicContact CG-CD1 4.4Å; H191-L197 HydrophobicContact CB-CD1 3.76Å; S194-L197 PolarHBondContact O-N 3.29Å; S194-L197 PolarHBondContact OG-N 3.22Å; L197-F199 VanDerWaalsContact C-N 3.31Å; L197-F199 PolarHBondContact O-N 2.88Å; L197-Y200 PolarHBondContact O-N 3.17Å; L197-R201 WeakPolarHBondContact O-CB 3.39Å; L197-R201 PolarHBondContact O-N 3.25Å
198L97.7Very high95.8Very high19 Ų1941.5 Ų41.510%0.09923%0.226CC..Hα-helixtrans-63.8-38.5174.3-66.1174.9000111.4L188 S194 V195 D196 R201 G202 V221 L224L188-L198 HydrophobicContact CD2-CD2 3.93Å; L188-L198 HydrophobicContact CD2-CG 4.32Å; S194-L198 WeakPolarHBondContact O-CG 3.4Å; S194-L198 PolarHBondContact O-N 3.35Å; V195-L198 PolarHBondContact O-N 3.05Å; D196-L198 PolarHBondContact O-N 3.39Å; L198-R201 WeakPolarHBondContact O-CB 3.45Å; L198-R201 PolarHBondContact O-N 3.34Å; L198-G202 PolarHBondContact O-N 3.46Å; L198-V221 HydrophobicContact CB-CG2 3.5Å; L198-V221 VanDerWaalsContact CB-CG2 3.5Å; L198-L224 HydrophobicContact CD1-CD1 4.19Å
199F98.3Very high95.7Very high20 Ų2042 Ų429%0.08823%0.229CC..Hα-helixtrans-63.3-50.7172.3164.8-107.6000111.8V195 D196 L197 R201 G202 L203 F218 H228 E230 T231 A234V195-F199 WeakPolarHBondContact O-CB 3.09Å; V195-F199 PolarHBondContact O-N 2.92Å; D196-F199 WeakPolarHBondContact O-CB 3.5Å; D196-F199 PolarHBondContact O-N 2.78Å; L197-F199 VanDerWaalsContact C-N 3.31Å; L197-F199 PolarHBondContact O-N 2.88Å; F199-R201 VanDerWaalsContact C-N 3.25Å; F199-R201 PolarHBondContact O-N 2.68Å; F199-G202 WeakPolarHBondContact O-CA 3.38Å; F199-G202 PolarHBondContact O-N 3.18Å; F199-L203 HydrophobicContact CE1-CD2 4.17Å; F199-L203 HydrophobicContact CZ-CD2 4.11Å; F199-L203 PolarHBondContact O-N 3.36Å; F199-F218 HydrophobicContact CD2-CD1 4.33Å; F199-F218 HydrophobicContact CD2-CE1 4.04Å; F199-F218 HydrophobicContact CE2-CE1 4.2Å; F199-H228 AromaticContact CG-CE1 3.98Å; F199-E230 HydrophobicContact CE1-CB 4.43Å; F199-E230 HydrophobicContact CE2-CB 4.21Å; F199-E230 WeakPolarHBondContact CE2-O 3.48Å; F199-E230 HydrophobicContact CZ-CB 3.94Å; F199-T231 WeakPolarHBondContact CD2-OG1 3.14Å; F199-A234 HydrophobicContact CE2-CB 3.86Å
200Y98.5Very high96Very high28 Ų2838.4 Ų38.411%0.1121%0.212CC..Hα-helixtrans-61.4-32.6178-82.8-69.1000112.5L165 L168 N169 I172 D196 L197 L203 C204L165-Y200 HydrophobicContact CD2-CD2 4.1Å; L165-Y200 HydrophobicContact CD2-CE2 4.12Å; L168-Y200 HydrophobicContact CB-CD1 4.09Å; L168-Y200 HydrophobicContact CB-CD2 4.29Å; L168-Y200 HydrophobicContact CB-CE1 4.05Å; L168-Y200 HydrophobicContact CB-CE2 4.26Å; L168-Y200 HydrophobicContact CB-CG 4.23Å; L168-Y200 HydrophobicContact CD1-CD2 4.01Å; L168-Y200 HydrophobicContact CD1-CG 4.12Å; N169-Y200 WeakPolarHBondContact CB-OH 3.34Å; I172-Y200 HydrophobicContact CG1-CD1 4.18Å; I172-Y200 HydrophobicContact CG1-CE1 4.11Å; D196-Y200 WeakPolarHBondContact O-CD2 3.26Å; D196-Y200 PolarHBondContact O-N 2.93Å; L197-Y200 PolarHBondContact O-N 3.17Å; Y200-L203 HydrophobicContact CD1-CD2 4.18Å; Y200-L203 HydrophobicContact CE1-CD2 4.32Å; Y200-L203 PolarHBondContact O-N 2.91Å; Y200-C204 WeakPolarHBondContact O-CB 3.44Å; Y200-C204 PolarHBondContact O-N 2.98Å; Y200-C204 PolarHBondContact O-SG 3.45Å
201R98Very high96.3Very high97 Ų9734.6 Ų34.637%0.36619%0.185SC..Hα-helixtrans-59.1-48.2171.9-174173.9176.8160.61.5111.3V184 L188 L197 L198 F199 L203 L205 H217V184-R201 HydrophobicContact CG1-CB 3.74Å; V184-R201 HydrophobicContact CG1-CG 4.43Å; L188-R201 HydrophobicContact CD1-CB 4.44Å; L197-R201 WeakPolarHBondContact O-CB 3.39Å; L197-R201 PolarHBondContact O-N 3.25Å; L198-R201 WeakPolarHBondContact O-CB 3.45Å; L198-R201 PolarHBondContact O-N 3.34Å; F199-R201 VanDerWaalsContact C-N 3.25Å; F199-R201 PolarHBondContact O-N 2.68Å; R201-L203 VanDerWaalsContact C-N 3.33Å; R201-L205 WeakPolarHBondContact O-CG 3.24Å; R201-L205 PolarHBondContact O-N 3.26Å; R201-H217 PolarHBondContact NE-CE1 2.94Å
202G97.9Very high96.5Very high0 Ų036.1 Ų36.10%020%0.195CC..Hα-helixtrans-61.5-41.6174.700000112.1L198 F199 L205 Y206 A214 F218L198-G202 PolarHBondContact O-N 3.46Å; F199-G202 WeakPolarHBondContact O-CA 3.38Å; F199-G202 PolarHBondContact O-N 3.18Å; G202-L205 PolarHBondContact O-N 3.49Å; G202-Y206 WeakPolarHBondContact O-CB 3.35Å; G202-Y206 PolarHBondContact O-N 2.76Å; G202-A214 WeakPolarHBondContact O-CB 3.42Å; G202-F218 VanDerWaalsContact C-CE1 3.43Å
203L98Very high96.8Very high12 Ų1237.8 Ų37.86%0.06319%0.192CC..Hα-helixtrans-66.2-40.3-179.7-164.564.1000112.8I172 F199 Y200 R201 Y206 Y207 F218I172-L203 HydrophobicContact CD1-CD2 4.36Å; I172-L203 HydrophobicContact CG1-CD2 4.14Å; I172-L203 HydrophobicContact CG2-CD2 4.09Å; F199-L203 HydrophobicContact CE1-CD2 4.17Å; F199-L203 HydrophobicContact CZ-CD2 4.11Å; F199-L203 PolarHBondContact O-N 3.36Å; Y200-L203 HydrophobicContact CD1-CD2 4.18Å; Y200-L203 HydrophobicContact CE1-CD2 4.32Å; Y200-L203 PolarHBondContact O-N 2.91Å; R201-L203 VanDerWaalsContact C-N 3.33Å; L203-Y206 HydrophobicContact CD1-CD1 4.4Å; L203-Y206 WeakPolarHBondContact O-CB 3.14Å; L203-Y206 PolarHBondContact O-N 3.42Å; L203-Y207 HydrophobicContact CD1-CD2 4.11Å; L203-Y207 HydrophobicContact CD1-CE2 3.6Å; L203-Y207 HydrophobicContact CD2-CE2 4.43Å; L203-Y207 HydrophobicContact CG-CD2 3.99Å; L203-Y207 HydrophobicContact CG-CE2 3.8Å; L203-Y207 WeakPolarHBondContact O-CD2 3.17Å; L203-Y207 PolarHBondContact O-N 3.13Å; L203-F218 HydrophobicContact CD1-CZ 4.48Å
204C98.1Very high97.2Very high0 Ų033 Ų330%016%0.158CC..Hα-helixtrans-62.5-46.1174.4-66.70000111.1K181 Y200 Y206 Y207 L208K181-C204 HydrophobicContact CB-CB 3.97Å; K181-C204 HydrophobicContact CG-CB 4.48Å; Y200-C204 WeakPolarHBondContact O-CB 3.44Å; Y200-C204 PolarHBondContact O-N 2.98Å; Y200-C204 PolarHBondContact O-SG 3.45Å; C204-Y206 VanDerWaalsContact C-N 3.29Å; C204-Y206 PolarHBondContact O-N 3.39Å; C204-Y207 PolarHBondContact O-N 2.87Å; C204-L208 VanDerWaalsContact O-CB 3.32Å; C204-L208 WeakPolarHBondContact O-CB 3.44Å; C204-L208 WeakPolarHBondContact O-CD1 3.4Å; C204-L208 WeakPolarHBondContact O-CG 3.05Å; C204-L208 PolarHBondContact O-N 2.82Å
205L97.8Very high97.3Very high17 Ų1733 Ų339%0.08916%0.158CC..Hα-helixtrans-62.1-38.7176.1-70.4169.6000111.9R201 G202 L208 H210 K213 A214 H217R201-L205 WeakPolarHBondContact O-CG 3.24Å; R201-L205 PolarHBondContact O-N 3.26Å; G202-L205 PolarHBondContact O-N 3.49Å; L205-L208 PolarHBondContact O-N 3.04Å; L205-H210 HydrophobicContact CB-CB 4.2Å; L205-H210 HydrophobicContact CD2-CB 4.09Å; L205-H210 CarbonylContact O-C 3.33Å; L205-H210 WeakPolarHBondContact O-CA 3.49Å; L205-H210 WeakPolarHBondContact O-CB 3.37Å; L205-H210 PolarHBondContact O-N 2.81Å; L205-K213 HydrophobicContact CD1-CB 4.07Å; L205-A214 HydrophobicContact CB-CB 4.02Å; L205-H217 WeakPolarHBondContact CD1-CD2 3.5Å
206Y98Very high97.3Very high2 Ų236.4 Ų36.41%0.00817%0.174CC..Hα-helixtrans-57.8-56.3176.4170.6-99000110.3G202 L203 C204 L208 D209 L211 A238 L241 D271 H274G202-Y206 WeakPolarHBondContact O-CB 3.35Å; G202-Y206 PolarHBondContact O-N 2.76Å; L203-Y206 HydrophobicContact CD1-CD1 4.4Å; L203-Y206 WeakPolarHBondContact O-CB 3.14Å; L203-Y206 PolarHBondContact O-N 3.42Å; C204-Y206 VanDerWaalsContact C-N 3.29Å; C204-Y206 PolarHBondContact O-N 3.39Å; Y206-L208 VanDerWaalsContact C-N 3.26Å; Y206-L208 PolarHBondContact O-N 3.19Å; Y206-D209 PolarHBondContact O-N 3.49Å; Y206-L211 HydrophobicContact CD2-CD2 3.42Å; Y206-L211 VanDerWaalsContact CD2-CD2 3.42Å; Y206-L211 HydrophobicContact CE2-CD2 3.71Å; Y206-L211 HydrophobicContact CG-CD2 4.36Å; Y206-A238 HydrophobicContact CD2-CB 3.76Å; Y206-A238 HydrophobicContact CE2-CB 3.96Å; Y206-L241 HydrophobicContact CE2-CD2 3.93Å; Y206-D271 VanDerWaalsContact CE1-OD2 3.22Å; Y206-D271 WeakPolarHBondContact CE1-OD2 3.17Å; Y206-D271 WeakPolarHBondContact OH-CB 3.42Å; Y206-D271 PolarHBondContact OH-OD2 3.5Å; Y206-H274 AromaticContact CE1-CD2 3.64Å; Y206-H274 AromaticContact CZ-CD2 3.76Å; Y206-H274 PolarHBondContact O-NE2 3.31Å
207Y97.5Very high97.4Very high19 Ų1935 Ų358%0.07517%0.165CC..Hα-helixtrans-69.6-19.2-178.9-74.2-64.5000114.5I172 F177 L203 C204 D209 D271 H274I172-Y207 HydrophobicContact CG2-CD2 4.5Å; I172-Y207 HydrophobicContact CG2-CE2 4.06Å; F177-Y207 AromaticContact CD1-CD2 3.95Å; F177-Y207 HydrophobicContact CD1-CD2 3.95Å; F177-Y207 AromaticContact CD1-CG 3.88Å; F177-Y207 HydrophobicContact CD1-CG 3.88Å; F177-Y207 HydrophobicContact CD2-CG 4.5Å; F177-Y207 AromaticContact CE1-CD1 4Å; F177-Y207 HydrophobicContact CE1-CD1 4Å; F177-Y207 AromaticContact CE1-CD2 3.51Å; F177-Y207 HydrophobicContact CE1-CD2 3.51Å; F177-Y207 HydrophobicContact CE1-CE2 4.18Å; F177-Y207 AromaticContact CE1-CG 3.42Å; F177-Y207 HydrophobicContact CE1-CG 3.42Å; F177-Y207 VanDerWaalsContact CE1-CG 3.42Å; F177-Y207 HydrophobicContact CE2-CD1 4.23Å; F177-Y207 HydrophobicContact CE2-CG 4.09Å; F177-Y207 HydrophobicContact CG-CG 4.39Å; F177-Y207 AromaticContact CZ-CD1 3.66Å; F177-Y207 HydrophobicContact CZ-CD1 3.66Å; F177-Y207 HydrophobicContact CZ-CD2 4.07Å; F177-Y207 HydrophobicContact CZ-CE1 4.33Å; F177-Y207 AromaticContact CZ-CG 3.53Å; F177-Y207 HydrophobicContact CZ-CG 3.53Å; L203-Y207 HydrophobicContact CD1-CD2 4.11Å; L203-Y207 HydrophobicContact CD1-CE2 3.6Å; L203-Y207 HydrophobicContact CD2-CE2 4.43Å; L203-Y207 HydrophobicContact CG-CD2 3.99Å; L203-Y207 HydrophobicContact CG-CE2 3.8Å; L203-Y207 WeakPolarHBondContact O-CD2 3.17Å; L203-Y207 PolarHBondContact O-N 3.13Å; C204-Y207 PolarHBondContact O-N 2.87Å; Y207-D209 VanDerWaalsContact C-N 3.28Å; Y207-D209 PolarHBondContact O-N 2.61Å; Y207-D271 PolarHBondContact OH-OD2 3.19Å; Y207-H274 WeakPolarHBondContact CA-NE2 3.35Å; Y207-H274 HydrophobicContact CD1-CB 4.42Å; Y207-H274 AromaticContact CD1-CD2 4Å; Y207-H274 HydrophobicContact CE1-CB 4.42Å; Y207-H274 PolarHBondContact O-CE1 2.95Å
208L96.4Very high97.4Very high29 Ų2935 Ų3515%0.15217%0.165CC..THydrogen-bonded Turntrans-88.419.4173.9-66.9170.6000113.7F177 T178 K181 C204 L205 Y206 H210 M276F177-L208 HydrophobicContact CB-CD2 3.92Å; F177-L208 HydrophobicContact CB-CG 4.02Å; T178-L208 HydrophobicContact CG2-CD2 3.9Å; K181-L208 HydrophobicContact CB-CD1 4.32Å; K181-L208 HydrophobicContact CD-CD1 3.8Å; C204-L208 VanDerWaalsContact O-CB 3.32Å; C204-L208 WeakPolarHBondContact O-CB 3.44Å; C204-L208 WeakPolarHBondContact O-CD1 3.4Å; C204-L208 WeakPolarHBondContact O-CG 3.05Å; C204-L208 PolarHBondContact O-N 2.82Å; L205-L208 PolarHBondContact O-N 3.04Å; Y206-L208 VanDerWaalsContact C-N 3.26Å; Y206-L208 PolarHBondContact O-N 3.19Å; L208-H210 VanDerWaalsContact C-N 3.27Å; L208-H210 PolarHBondContact O-N 3.33Å; L208-M276 VanDerWaalsContact CA-CE 3.45Å; L208-M276 HydrophobicContact CB-CE 4.41Å; L208-M276 VanDerWaalsContact O-CE 3.23Å; L208-M276 WeakPolarHBondContact O-CE 3.42Å
209D94.4Very high97.4Very high29 Ų2938 Ų3816%0.15518%0.178CC..THydrogen-bonded Turntrans54.140.4-178.7-171.235.3000113.4Y206 Y207 K245 M276 I277 K280Y206-D209 PolarHBondContact O-N 3.49Å; Y207-D209 VanDerWaalsContact C-N 3.28Å; Y207-D209 PolarHBondContact O-N 2.61Å; D209-K245 IonicContact OD1-NZ 3.38Å; D209-K245 PolarHBondContact OD1-NZ 3.5Å; D209-K245 VanDerWaalsContact OD1-NZ 3.17Å; D209-M276 HydrophobicContact CB-CE 3.85Å; D209-M276 HydrophobicContact CB-CG 4.33Å; D209-I277 HydrophobicContact CB-CD1 4.26Å; D209-I277 HydrophobicContact CB-CG1 3.83Å; D209-I277 VanDerWaalsContact OD1-CD1 3.3Å; D209-I277 WeakPolarHBondContact OD1-CD1 3.44Å; D209-I277 WeakPolarHBondContact OD1-CG1 3.47Å; D209-K280 IonicContact OD2-NZ 2.75Å; D209-K280 PolarHBondContact OD2-NZ 3.25Å
210H96.3Very high97.4Very high86 Ų8640.3 Ų40.340%0.39819%0.189SC..  trans-113.454.2169-59.1-40.7000110.1L205 L208 D212 K213 A214L205-H210 HydrophobicContact CB-CB 4.2Å; L205-H210 HydrophobicContact CD2-CB 4.09Å; L205-H210 CarbonylContact O-C 3.33Å; L205-H210 WeakPolarHBondContact O-CA 3.49Å; L205-H210 WeakPolarHBondContact O-CB 3.37Å; L205-H210 PolarHBondContact O-N 2.81Å; L208-H210 VanDerWaalsContact C-N 3.27Å; L208-H210 PolarHBondContact O-N 3.33Å; H210-D212 VanDerWaalsContact C-N 3.34Å; H210-D212 PolarHBondContact O-N 3.34Å; H210-K213 HydrophobicContact CB-CB 4.33Å; H210-K213 HydrophobicContact CB-CD 4.42Å; H210-K213 PolarHBondContact O-N 3.45Å; H210-A214 WeakPolarHBondContact O-CB 3.37Å; H210-A214 PolarHBondContact O-N 3.28Å
211L95.6Very high97.4Very high4 Ų439 Ų392%0.02118%0.184CC..Hα-helixtrans-54.1-45.6-173.3-66.4-174.2000113.1Y206 K213 A214 T215 L241 L242 I277Y206-L211 HydrophobicContact CD2-CD2 3.42Å; Y206-L211 VanDerWaalsContact CD2-CD2 3.42Å; Y206-L211 HydrophobicContact CE2-CD2 3.71Å; Y206-L211 HydrophobicContact CG-CD2 4.36Å; L211-K213 VanDerWaalsContact C-N 3.33Å; L211-K213 PolarHBondContact O-N 3.03Å; L211-A214 WeakPolarHBondContact O-CB 3.44Å; L211-A214 PolarHBondContact O-N 3.15Å; L211-A214 VanDerWaalsContact O-N 3.13Å; L211-T215 WeakPolarHBondContact O-CG2 3.46Å; L211-T215 PolarHBondContact O-N 3Å; L211-L241 HydrophobicContact CD1-CB 4.39Å; L211-L241 HydrophobicContact CD1-CD2 4.1Å; L211-L241 HydrophobicContact CD1-CG 3.93Å; L211-L241 HydrophobicContact CD2-CD2 4.07Å; L211-L242 HydrophobicContact CB-CD1 4.42Å; L211-L242 HydrophobicContact CD1-CB 4.29Å; L211-L242 HydrophobicContact CD1-CD1 4.45Å; L211-I277 HydrophobicContact CD1-CD1 3.66Å; L211-I277 HydrophobicContact CD2-CD1 3.57Å; L211-I277 HydrophobicContact CG-CD1 3.58Å
212D95.1Very high97.4Very high92 Ų9235.9 Ų35.949%0.49218%0.175SC..Hα-helixtrans-59.3-47.3-178.8-51.2-45.7000110.8H210 A214 T215 I216 L242H210-D212 VanDerWaalsContact C-N 3.34Å; H210-D212 PolarHBondContact O-N 3.34Å; D212-A214 PolarHBondContact O-N 2.73Å; D212-T215 PolarHBondContact O-N 3.41Å; D212-T215 PolarHBondContact O-OG1 2.57Å; D212-I216 WeakPolarHBondContact O-CG1 3.25Å; D212-I216 PolarHBondContact O-N 3.02Å; D212-L242 WeakPolarHBondContact OD1-CD1 3.14Å; D212-L242 WeakPolarHBondContact OD1-CD2 3.41Å
213K97.5Very high97.4Very high123 Ų12344.6 Ų44.654%0.53521%0.207SC..Hα-helixtrans-64.6-41.8176.2-60.7-176.4-179.6176.90111.4L205 H210 L211 T215 I216 H217L205-K213 HydrophobicContact CD1-CB 4.07Å; H210-K213 HydrophobicContact CB-CB 4.33Å; H210-K213 HydrophobicContact CB-CD 4.42Å; H210-K213 PolarHBondContact O-N 3.45Å; L211-K213 VanDerWaalsContact C-N 3.33Å; L211-K213 PolarHBondContact O-N 3.03Å; K213-T215 VanDerWaalsContact C-N 3.32Å; K213-T215 PolarHBondContact O-N 3.4Å; K213-I216 PolarHBondContact O-N 2.73Å; K213-H217 PolarHBondContact O-CD2 3.3Å; K213-H217 VanDerWaalsContact O-CD2 3.22Å; K213-H217 PolarHBondContact O-N 3.39Å
214A98.2Very high97.3Very high0 Ų048.3 Ų48.30%023%0.227CC..Hα-helixtrans-58.8-44178.100000111.6G202 L205 H210 L211 D212 I216 H217 F218G202-A214 WeakPolarHBondContact O-CB 3.42Å; L205-A214 HydrophobicContact CB-CB 4.02Å; H210-A214 WeakPolarHBondContact O-CB 3.37Å; H210-A214 PolarHBondContact O-N 3.28Å; L211-A214 WeakPolarHBondContact O-CB 3.44Å; L211-A214 PolarHBondContact O-N 3.15Å; L211-A214 VanDerWaalsContact O-N 3.13Å; D212-A214 PolarHBondContact O-N 2.73Å; A214-I216 PolarHBondContact O-N 3.18Å; A214-H217 PolarHBondContact O-N 2.77Å; A214-F218 HydrophobicContact CB-CD2 4.49Å; A214-F218 HydrophobicContact CB-CE2 4.04Å; A214-F218 WeakPolarHBondContact O-CD2 3.3Å; A214-F218 VanDerWaalsContact O-CG 3.28Å; A214-F218 WeakPolarHBondContact O-CG 3.42Å; A214-F218 PolarHBondContact O-N 3.02Å
215T97.7Very high97.2Very high18 Ų1852.3 Ų52.311%0.1125%0.245CC..Hα-helixtrans-62.1-40.7177.664.10000112.4L211 D212 K213 H217 F218 Q219 Y235 A238L211-T215 WeakPolarHBondContact O-CG2 3.46Å; L211-T215 PolarHBondContact O-N 3Å; D212-T215 PolarHBondContact O-N 3.41Å; D212-T215 PolarHBondContact O-OG1 2.57Å; K213-T215 VanDerWaalsContact C-N 3.32Å; K213-T215 PolarHBondContact O-N 3.4Å; T215-H217 PolarHBondContact O-N 3.17Å; T215-F218 PolarHBondContact O-N 2.74Å; T215-Q219 WeakPolarHBondContact O-CB 3.2Å; T215-Q219 VanDerWaalsContact O-CG 3.25Å; T215-Q219 WeakPolarHBondContact O-CG 3.2Å; T215-Q219 PolarHBondContact O-N 3.28Å; T215-Y235 HydrophobicContact CG2-CE2 4.46Å; T215-A238 HydrophobicContact CG2-CB 3.78Å
216I97.9Very high97.2Very high100 Ų10055.2 Ų55.251%0.51327%0.265SS..Hα-helixtrans-60.8-44.6174.7-65.2167000111D212 K213 A214 Q219 H220D212-I216 WeakPolarHBondContact O-CG1 3.25Å; D212-I216 PolarHBondContact O-N 3.02Å; K213-I216 PolarHBondContact O-N 2.73Å; A214-I216 PolarHBondContact O-N 3.18Å; I216-Q219 PolarHBondContact O-N 3.36Å; I216-H220 PolarHBondContact O-N 3.3Å
217H97.9Very high97.1Very high41 Ų4161.8 Ų61.819%0.1930%0.301CS..Hα-helixtrans-66-41.9178.1-81.5-73.6000112.5R201 L205 K213 A214 T215 H220 V221R201-H217 PolarHBondContact NE-CE1 2.94Å; L205-H217 WeakPolarHBondContact CD1-CD2 3.5Å; K213-H217 PolarHBondContact O-CD2 3.3Å; K213-H217 VanDerWaalsContact O-CD2 3.22Å; K213-H217 PolarHBondContact O-N 3.39Å; A214-H217 PolarHBondContact O-N 2.77Å; T215-H217 PolarHBondContact O-N 3.17Å; H217-H220 WeakPolarHBondContact O-CB 3.32Å; H217-H220 PolarHBondContact O-N 3.47Å; H217-V221 PolarHBondContact O-N 3.49Å; H217-V221 VanDerWaalsContact O-N 3.09Å
218F98.6Very high97.1Very high0 Ų062.7 Ų62.70%031%0.306CS..Hα-helixtrans-65-41.2174.7-63.1-40.7000112.2F199 G202 L203 A214 T215 H220 V221 L222 T231 A234 Y235 A238F199-F218 HydrophobicContact CD2-CD1 4.33Å; F199-F218 HydrophobicContact CD2-CE1 4.04Å; F199-F218 HydrophobicContact CE2-CE1 4.2Å; G202-F218 VanDerWaalsContact C-CE1 3.43Å; L203-F218 HydrophobicContact CD1-CZ 4.48Å; A214-F218 HydrophobicContact CB-CD2 4.49Å; A214-F218 HydrophobicContact CB-CE2 4.04Å; A214-F218 WeakPolarHBondContact O-CD2 3.3Å; A214-F218 VanDerWaalsContact O-CG 3.28Å; A214-F218 WeakPolarHBondContact O-CG 3.42Å; A214-F218 PolarHBondContact O-N 3.02Å; T215-F218 PolarHBondContact O-N 2.74Å; F218-H220 VanDerWaalsContact C-N 3.27Å; F218-H220 PolarHBondContact O-N 3.5Å; F218-V221 PolarHBondContact O-N 3.13Å; F218-L222 WeakPolarHBondContact O-CG 3.46Å; F218-L222 PolarHBondContact O-N 3.44Å; F218-T231 HydrophobicContact CB-CG2 3.75Å; F218-T231 HydrophobicContact CD1-CG2 3.98Å; F218-T231 HydrophobicContact CG-CG2 4.22Å; F218-T231 WeakPolarHBondContact O-CG2 3.25Å; F218-A234 HydrophobicContact CD1-CB 4.44Å; F218-A234 HydrophobicContact CD2-CB 4.48Å; F218-A234 HydrophobicContact CE1-CB 3.94Å; F218-A234 HydrophobicContact CE2-CB 4Å; F218-A234 HydrophobicContact CZ-CB 3.7Å; F218-Y235 HydrophobicContact CB-CD2 3.9Å; F218-Y235 HydrophobicContact CB-CG 4.26Å; F218-A238 HydrophobicContact CD2-CB 4.28Å; F218-A238 HydrophobicContact CE2-CB 4.1Å
219Q98.1Very high97.2Very high82 Ų8265.8 Ų65.838%0.38332%0.321SS..Hα-helixtrans-59.8-38.9173.3-76.3172.4-3.600112T215 I216 L222 R223 Y235T215-Q219 WeakPolarHBondContact O-CB 3.2Å; T215-Q219 VanDerWaalsContact O-CG 3.25Å; T215-Q219 WeakPolarHBondContact O-CG 3.2Å; T215-Q219 PolarHBondContact O-N 3.28Å; I216-Q219 PolarHBondContact O-N 3.36Å; Q219-L222 PolarHBondContact O-N 3.17Å; Q219-R223 WeakPolarHBondContact O-CB 3.2Å; Q219-R223 PolarHBondContact O-N 3.34Å; Q219-Y235 HydrophobicContact CG-CD2 4.22Å; Q219-Y235 HydrophobicContact CG-CE2 3.45Å; Q219-Y235 VanDerWaalsContact CG-CE2 3.45Å; Q219-Y235 PolarHBondContact NE2-OH 3.05Å
220H97.5Very high97.3Very high67 Ų6768.7 Ų68.731%0.3133%0.334SS..Hα-helixtrans-61.6-46.9175.6-179.455.9000111.4I216 H217 F218 L222 R223 L224I216-H220 PolarHBondContact O-N 3.3Å; H217-H220 WeakPolarHBondContact O-CB 3.32Å; H217-H220 PolarHBondContact O-N 3.47Å; F218-H220 VanDerWaalsContact C-N 3.27Å; F218-H220 PolarHBondContact O-N 3.5Å; H220-L222 PolarHBondContact O-N 3.27Å; H220-R223 WeakPolarHBondContact O-CB 3.4Å; H220-R223 PolarHBondContact O-N 3.24Å; H220-L224 PolarHBondContact O-N 2.91Å
221V98.1Very high97.4Very high1 Ų164.6 Ų64.61%0.00632%0.315CS..Hα-helixtrans-60.1-45.7175.3173.80000111.4V195 L198 H217 F218 R223 L224 H225 H228 T231V195-V221 HydrophobicContact CG1-CG1 3.86Å; L198-V221 HydrophobicContact CB-CG2 3.5Å; L198-V221 VanDerWaalsContact CB-CG2 3.5Å; H217-V221 PolarHBondContact O-N 3.49Å; H217-V221 VanDerWaalsContact O-N 3.09Å; F218-V221 PolarHBondContact O-N 3.13Å; V221-R223 VanDerWaalsContact C-N 3.27Å; V221-R223 PolarHBondContact O-N 2.93Å; V221-L224 PolarHBondContact O-N 3.48Å; V221-H225 PolarHBondContact O-N 3.4Å; V221-H228 HydrophobicContact CG1-CB 4.41Å; V221-T231 HydrophobicContact CB-CG2 3.89Å; V221-T231 HydrophobicContact CG1-CG2 3.9Å; V221-T231 VanDerWaalsContact CG1-OG1 3.29Å; V221-T231 WeakPolarHBondContact CG1-OG1 3.2Å
222L98.1Very high97.6Very high32 Ų3268.6 Ų68.617%0.16833%0.333CS..Hα-helixtrans-68-23.5179.2-67.1175000113.8F218 Q219 H220 H225 P226 T231 Q232 Y235F218-L222 WeakPolarHBondContact O-CG 3.46Å; F218-L222 PolarHBondContact O-N 3.44Å; Q219-L222 PolarHBondContact O-N 3.17Å; H220-L222 PolarHBondContact O-N 3.27Å; L222-H225 CarbonylContact O-C 3.54Å; L222-P226 WeakPolarHBondContact O-CA 3.35Å; L222-P226 WeakPolarHBondContact O-CG 3.46Å; L222-T231 HydrophobicContact CD1-CG2 4.16Å; L222-T231 HydrophobicContact CD2-CG2 3.8Å; L222-T231 HydrophobicContact CG-CG2 3.59Å; L222-Q232 HydrophobicContact CD2-CB 4.43Å; L222-Q232 HydrophobicContact CD2-CG 3.56Å; L222-Y235 HydrophobicContact CD1-CD1 3.78Å; L222-Y235 HydrophobicContact CD1-CG 3.98Å
223R97.7Very high97.7Very high182 Ų18269.4 Ų69.469%0.68733%0.332SS*.Hα-helixtrans-71.5-37.3173-165.6-168-39.6163.68.7111.6Q219 H220 V221Q219-R223 WeakPolarHBondContact O-CB 3.2Å; Q219-R223 PolarHBondContact O-N 3.34Å; H220-R223 WeakPolarHBondContact O-CB 3.4Å; H220-R223 PolarHBondContact O-N 3.24Å; V221-R223 VanDerWaalsContact C-N 3.27Å; V221-R223 PolarHBondContact O-N 2.93Å
224L96.3Very high97.7Very high90 Ų9063.6 Ų63.647%0.47131%0.308SS..Hα-helixtrans-80.9-39.8178.7-62.5176.4000111.6L198 H220 V221L198-L224 HydrophobicContact CD1-CD1 4.19Å; H220-L224 PolarHBondContact O-N 2.91Å; V221-L224 PolarHBondContact O-N 3.48Å
225H97.2Very high97.7Very high84 Ų8466.2 Ų66.239%0.38932%0.318SS..  trans-135.881.1-176.2-59.3-80.6000109.9V195 V221 L222 D227 H228V195-H225 HydrophobicContact CG1-CB 4.15Å; V195-H225 WeakPolarHBondContact CG2-CD2 3.47Å; V195-H225 WeakPolarHBondContact CG2-NE2 3.42Å; V221-H225 PolarHBondContact O-N 3.4Å; L222-H225 CarbonylContact O-C 3.54Å; H225-D227 PolarHBondContact O-N 3.4Å; H225-H228 HydrophobicContact CB-CB 4.16Å; H225-H228 WeakPolarHBondContact O-CB 3.42Å; H225-H228 PolarHBondContact O-N 3.22Å; H225-H228 VanDerWaalsContact O-N 3.13Å
226P97.3Very high97.8Very high79 Ų7972.2 Ų72.251%0.51334%0.342SS..THydrogen-bonded Turntrans-55.6-34.1-178.4-2735.2000113.5L222 H228 Q232L222-P226 WeakPolarHBondContact O-CA 3.35Å; L222-P226 WeakPolarHBondContact O-CG 3.46Å; P226-H228 VanDerWaalsContact C-N 3.3Å; P226-H228 PolarHBondContact O-N 3.39Å; P226-Q232 PolarHBondContact O-NE2 3.31Å
227D96.7Very high97.7Very high140 Ų14071.2 Ų71.275%0.74933%0.332SS*.THydrogen-bonded Turntrans-85.77.9-176.5-57.1-37.9000114.1H225 I229H225-D227 PolarHBondContact O-N 3.4Å; D227-I229 PolarHBondContact O-N 2.86Å
228H97.5Very high97.8Very high38 Ų3869.2 Ų69.218%0.17632%0.323CS..  trans-71.890.2178-167.5-86.3000111.3F199 V221 H225 P226 E230 T231 Q232F199-H228 AromaticContact CG-CE1 3.98Å; V221-H228 HydrophobicContact CG1-CB 4.41Å; H225-H228 HydrophobicContact CB-CB 4.16Å; H225-H228 WeakPolarHBondContact O-CB 3.42Å; H225-H228 PolarHBondContact O-N 3.22Å; H225-H228 VanDerWaalsContact O-N 3.13Å; P226-H228 VanDerWaalsContact C-N 3.3Å; P226-H228 PolarHBondContact O-N 3.39Å; H228-E230 VanDerWaalsContact C-N 3.29Å; H228-E230 PolarHBondContact O-N 3.22Å; H228-T231 PolarHBondContact CE1-OG1 2.88Å; H228-T231 WeakPolarHBondContact ND1-CB 3.41Å; H228-T231 PolarHBondContact ND1-N 2.9Å; H228-T231 VanDerWaalsContact ND1-N 3.17Å; H228-T231 PolarHBondContact ND1-OG1 3.34Å; H228-T231 PolarHBondContact O-N 3.37Å; H228-Q232 PolarHBondContact O-N 2.69Å
229I97.7Very high97.7Very high93 Ų9375.1 Ų75.148%0.47735%0.349SS..Hα-helixtrans-50.3-45.8-171.5-61.2176.2000112.1D227 T231 Q232 K233D227-I229 PolarHBondContact O-N 2.86Å; I229-T231 VanDerWaalsContact C-N 3.31Å; I229-T231 PolarHBondContact O-N 3.07Å; I229-Q232 WeakPolarHBondContact O-CB 3.39Å; I229-Q232 PolarHBondContact O-N 3.41Å; I229-K233 HydrophobicContact CG2-CD 4.4Å; I229-K233 VanDerWaalsContact CG2-CE 3.48Å; I229-K233 WeakPolarHBondContact O-CG 3.4Å; I229-K233 PolarHBondContact O-N 3.3Å
230E97.4Very high97.7Very high90 Ų9074 Ų7442%0.42135%0.345SS..Hα-helixtrans-71.8-29.9-174.8-49-36.8146.600112.8F199 H228 K233 A234F199-E230 HydrophobicContact CE1-CB 4.43Å; F199-E230 HydrophobicContact CE2-CB 4.21Å; F199-E230 WeakPolarHBondContact CE2-O 3.48Å; F199-E230 HydrophobicContact CZ-CB 3.94Å; H228-E230 VanDerWaalsContact C-N 3.29Å; H228-E230 PolarHBondContact O-N 3.22Å; E230-K233 IonicContact OE1-NZ 3.48Å; E230-K233 PolarHBondContact OE1-NZ 3.37Å; E230-K233 WeakPolarHBondContact OE2-CD 3.49Å; E230-K233 IonicContact OE2-NZ 3.51Å; E230-K233 PolarHBondContact OE2-NZ 3.43Å; E230-A234 VanDerWaalsContact O-CB 3.28Å; E230-A234 WeakPolarHBondContact O-CB 3.44Å; E230-A234 PolarHBondContact O-N 3.05Å
231T98.4Very high97.7Very high0 Ų070.8 Ų70.80%033%0.331CS..Hα-helixtrans-70.9-41.1171.1-59.70000110.4F199 F218 V221 L222 H228 I229 K233 A234 Y235F199-T231 WeakPolarHBondContact CD2-OG1 3.14Å; F218-T231 HydrophobicContact CB-CG2 3.75Å; F218-T231 HydrophobicContact CD1-CG2 3.98Å; F218-T231 HydrophobicContact CG-CG2 4.22Å; F218-T231 WeakPolarHBondContact O-CG2 3.25Å; V221-T231 HydrophobicContact CB-CG2 3.89Å; V221-T231 HydrophobicContact CG1-CG2 3.9Å; V221-T231 VanDerWaalsContact CG1-OG1 3.29Å; V221-T231 WeakPolarHBondContact CG1-OG1 3.2Å; L222-T231 HydrophobicContact CD1-CG2 4.16Å; L222-T231 HydrophobicContact CD2-CG2 3.8Å; L222-T231 HydrophobicContact CG-CG2 3.59Å; H228-T231 PolarHBondContact CE1-OG1 2.88Å; H228-T231 WeakPolarHBondContact ND1-CB 3.41Å; H228-T231 PolarHBondContact ND1-N 2.9Å; H228-T231 VanDerWaalsContact ND1-N 3.17Å; H228-T231 PolarHBondContact ND1-OG1 3.34Å; H228-T231 PolarHBondContact O-N 3.37Å; I229-T231 VanDerWaalsContact C-N 3.31Å; I229-T231 PolarHBondContact O-N 3.07Å; T231-K233 VanDerWaalsContact C-N 3.32Å; T231-K233 PolarHBondContact O-N 3.42Å; T231-A234 PolarHBondContact O-N 2.98Å; T231-Y235 WeakPolarHBondContact O-CB 3.39Å; T231-Y235 PolarHBondContact O-N 3.09Å
232Q98.3Very high97.6Very high88 Ų8872.1 Ų72.141%0.41134%0.338SS..Hα-helixtrans-57.9-46.5176.5-65.8-179.8-2.300111L222 P226 H228 I229 K236L222-Q232 HydrophobicContact CD2-CB 4.43Å; L222-Q232 HydrophobicContact CD2-CG 3.56Å; P226-Q232 PolarHBondContact O-NE2 3.31Å; H228-Q232 PolarHBondContact O-N 2.69Å; I229-Q232 WeakPolarHBondContact O-CB 3.39Å; I229-Q232 PolarHBondContact O-N 3.41Å; Q232-K236 WeakPolarHBondContact O-CB 3.22Å; Q232-K236 PolarHBondContact O-N 3.22Å
233K98.1Very high97.6Very high109 Ų10975.6 Ų75.647%0.47435%0.351SS..Hα-helixtrans-63.1-47.9176.4-67.4179.5-163.1148.40111.8I229 E230 T231 K236 R237I229-K233 HydrophobicContact CG2-CD 4.4Å; I229-K233 VanDerWaalsContact CG2-CE 3.48Å; I229-K233 WeakPolarHBondContact O-CG 3.4Å; I229-K233 PolarHBondContact O-N 3.3Å; E230-K233 IonicContact OE1-NZ 3.48Å; E230-K233 PolarHBondContact OE1-NZ 3.37Å; E230-K233 WeakPolarHBondContact OE2-CD 3.49Å; E230-K233 IonicContact OE2-NZ 3.51Å; E230-K233 PolarHBondContact OE2-NZ 3.43Å; T231-K233 VanDerWaalsContact C-N 3.32Å; T231-K233 PolarHBondContact O-N 3.42Å; K233-K236 PolarHBondContact O-N 3.17Å; K233-R237 WeakPolarHBondContact O-CG 3.18Å; K233-R237 PolarHBondContact O-N 3Å
234A98Very high97.6Very high2 Ų268.7 Ų68.72%0.01733%0.326CS..Hα-helixtrans-64.1-42.1179.500000112.4F199 F218 E230 T231 R237 A238F199-A234 HydrophobicContact CE2-CB 3.86Å; F218-A234 HydrophobicContact CD1-CB 4.44Å; F218-A234 HydrophobicContact CD2-CB 4.48Å; F218-A234 HydrophobicContact CE1-CB 3.94Å; F218-A234 HydrophobicContact CE2-CB 4Å; F218-A234 HydrophobicContact CZ-CB 3.7Å; E230-A234 VanDerWaalsContact O-CB 3.28Å; E230-A234 WeakPolarHBondContact O-CB 3.44Å; E230-A234 PolarHBondContact O-N 3.05Å; T231-A234 PolarHBondContact O-N 2.98Å; A234-R237 PolarHBondContact O-N 2.91Å; A234-A238 WeakPolarHBondContact O-CB 3.28Å; A234-A238 PolarHBondContact O-N 3.33Å
235Y98.3Very high97.7Very high55 Ų5566.4 Ų66.422%0.21631%0.313CS..Hα-helixtrans-61.5-46.2176-179.6-120.1000112T215 F218 Q219 L222 T231 R237 A238 K239T215-Y235 HydrophobicContact CG2-CE2 4.46Å; F218-Y235 HydrophobicContact CB-CD2 3.9Å; F218-Y235 HydrophobicContact CB-CG 4.26Å; Q219-Y235 HydrophobicContact CG-CD2 4.22Å; Q219-Y235 HydrophobicContact CG-CE2 3.45Å; Q219-Y235 VanDerWaalsContact CG-CE2 3.45Å; Q219-Y235 PolarHBondContact NE2-OH 3.05Å; L222-Y235 HydrophobicContact CD1-CD1 3.78Å; L222-Y235 HydrophobicContact CD1-CG 3.98Å; T231-Y235 WeakPolarHBondContact O-CB 3.39Å; T231-Y235 PolarHBondContact O-N 3.09Å; Y235-R237 PolarHBondContact O-N 3.25Å; Y235-A238 PolarHBondContact O-N 2.95Å; Y235-K239 WeakPolarHBondContact O-CB 3.43Å; Y235-K239 PolarHBondContact O-N 3.22Å
236K97.8Very high97.7Very high143 Ų14367.2 Ų67.262%0.62232%0.316SS*.Hα-helixtrans-60.6-44.2176.1-175.3177.2179.6179.10111.6Q232 K233 N240Q232-K236 WeakPolarHBondContact O-CB 3.22Å; Q232-K236 PolarHBondContact O-N 3.22Å; K233-K236 PolarHBondContact O-N 3.17Å; K236-N240 WeakPolarHBondContact O-CB 3.38Å; K236-N240 VanDerWaalsContact O-CG 3.28Å; K236-N240 PolarHBondContact O-N 3.39Å
237R97.7Very high97.7Very high79 Ų7966.5 Ų66.530%0.29831%0.306SS..Hα-helixtrans-59.4-52.8174.3-73.8-175.8-66.9158.5-2.3111.3K233 A234 Y235 K239 N240 L241 V270 D271K233-R237 WeakPolarHBondContact O-CG 3.18Å; K233-R237 PolarHBondContact O-N 3Å; A234-R237 PolarHBondContact O-N 2.91Å; Y235-R237 PolarHBondContact O-N 3.25Å; R237-K239 PolarHBondContact O-N 3.13Å; R237-N240 PolarHBondContact O-N 2.86Å; R237-L241 WeakPolarHBondContact O-CB 3.44Å; R237-L241 PolarHBondContact O-N 2.69Å; R237-V270 HydrophobicContact CB-CG1 4.1Å; R237-V270 HydrophobicContact CG-CG1 4.38Å; R237-V270 WeakPolarHBondContact O-CG1 3.42Å; R237-D271 IonicContact NH1-OD2 3.52Å
238A98.1Very high97.8Very high0 Ų059.8 Ų59.80%027%0.27CS..Hα-helixtrans-58.1-44.6-18000000112.7Y206 T215 F218 A234 Y235 L241 L242Y206-A238 HydrophobicContact CD2-CB 3.76Å; Y206-A238 HydrophobicContact CE2-CB 3.96Å; T215-A238 HydrophobicContact CG2-CB 3.78Å; F218-A238 HydrophobicContact CD2-CB 4.28Å; F218-A238 HydrophobicContact CE2-CB 4.1Å; A234-A238 WeakPolarHBondContact O-CB 3.28Å; A234-A238 PolarHBondContact O-N 3.33Å; Y235-A238 PolarHBondContact O-N 2.95Å; A238-L241 PolarHBondContact O-N 2.66Å; A238-L242 WeakPolarHBondContact O-CB 3.28Å; A238-L242 PolarHBondContact O-N 3.13Å
239K97.6Very high97.8Very high124 Ų12461 Ų6154%0.53928%0.278SS..Hα-helixtrans-64-44.4177.6-174.7178.1177.81790112.3Y235 R237 K243Y235-K239 WeakPolarHBondContact O-CB 3.43Å; Y235-K239 PolarHBondContact O-N 3.22Å; R237-K239 PolarHBondContact O-N 3.13Å; K239-K243 VanDerWaalsContact O-CB 3.28Å; K239-K243 WeakPolarHBondContact O-CB 3.5Å; K239-K243 PolarHBondContact O-N 2.78Å
240N97.7Very high97.9Very high57 Ų5760.3 Ų60.331%0.30528%0.278SS..Hα-helixtrans-65.4-42.7177.6-75.2-10000111.7K236 R237 K243 F244 V270K236-N240 WeakPolarHBondContact O-CB 3.38Å; K236-N240 VanDerWaalsContact O-CG 3.28Å; K236-N240 PolarHBondContact O-N 3.39Å; R237-N240 PolarHBondContact O-N 2.86Å; N240-K243 PolarHBondContact O-N 3.19Å; N240-F244 HydrophobicContact CB-CD2 4.38Å; N240-F244 HydrophobicContact CB-CE2 4.08Å; N240-F244 WeakPolarHBondContact O-CD2 3.41Å; N240-F244 WeakPolarHBondContact O-CG 3.42Å; N240-F244 PolarHBondContact O-N 3.17Å; N240-V270 HydrophobicContact CB-CG1 4.31Å; N240-V270 HydrophobicContact CB-CG2 4.12Å
241L97.7Very high97.9Very high1 Ų158.1 Ų58.11%0.00527%0.268CS..Hα-helixtrans-62.9-46.1178.8-175.256.9000111.4Y206 L211 R237 A238 K245 A267 V270 I277 L281Y206-L241 HydrophobicContact CE2-CD2 3.93Å; L211-L241 HydrophobicContact CD1-CB 4.39Å; L211-L241 HydrophobicContact CD1-CD2 4.1Å; L211-L241 HydrophobicContact CD1-CG 3.93Å; L211-L241 HydrophobicContact CD2-CD2 4.07Å; R237-L241 WeakPolarHBondContact O-CB 3.44Å; R237-L241 PolarHBondContact O-N 2.69Å; A238-L241 PolarHBondContact O-N 2.66Å; L241-K245 WeakPolarHBondContact O-CB 3.35Å; L241-K245 PolarHBondContact O-N 2.84Å; L241-A267 HydrophobicContact CD1-CB 4.14Å; L241-V270 HydrophobicContact CB-CB 4.39Å; L241-V270 HydrophobicContact CB-CG1 4.03Å; L241-V270 HydrophobicContact CD1-CB 4.38Å; L241-I277 HydrophobicContact CD1-CG2 4.12Å; L241-I277 HydrophobicContact CD2-CD1 3.86Å; L241-I277 HydrophobicContact CD2-CG2 4.14Å; L241-I277 HydrophobicContact CG-CG2 4.36Å; L241-L281 HydrophobicContact CD1-CD1 3.96Å
242L96.5Very high97.9Very high29 Ų2960 Ų6015%0.15228%0.277CS..Hα-helixtrans-58.6-52175-177.862.1000110.8L211 D212 A238 F244 K245 E246L211-L242 HydrophobicContact CB-CD1 4.42Å; L211-L242 HydrophobicContact CD1-CB 4.29Å; L211-L242 HydrophobicContact CD1-CD1 4.45Å; D212-L242 WeakPolarHBondContact OD1-CD1 3.14Å; D212-L242 WeakPolarHBondContact OD1-CD2 3.41Å; A238-L242 WeakPolarHBondContact O-CB 3.28Å; A238-L242 PolarHBondContact O-N 3.13Å; L242-F244 PolarHBondContact O-N 3.04Å; L242-K245 PolarHBondContact O-N 3.38Å; L242-E246 HydrophobicContact CD1-CG 4.18Å; L242-E246 WeakPolarHBondContact CD1-OE1 3.41Å; L242-E246 WeakPolarHBondContact O-CB 3.46Å; L242-E246 WeakPolarHBondContact O-CG 3.42Å; L242-E246 PolarHBondContact O-N 2.9Å
243K97.7Very high97.9Very high104 Ų10462.9 Ų62.945%0.45229%0.29SS..Hα-helixtrans-53.6-54.8178.7176.8-177.3171.7179.60112.3K239 N240 K245 E246 E247K239-K243 VanDerWaalsContact O-CB 3.28Å; K239-K243 WeakPolarHBondContact O-CB 3.5Å; K239-K243 PolarHBondContact O-N 2.78Å; N240-K243 PolarHBondContact O-N 3.19Å; K243-K245 VanDerWaalsContact C-N 3.35Å; K243-K245 PolarHBondContact O-N 3.23Å; K243-E246 PolarHBondContact O-N 3.41Å; K243-E247 WeakPolarHBondContact CE-OE1 3.4Å; K243-E247 HydrophobicContact CG-CG 4.46Å; K243-E247 IonicContact NZ-OE1 2.66Å; K243-E247 WeakPolarHBondContact O-CB 3.44Å; K243-E247 WeakPolarHBondContact O-CG 3.18Å; K243-E247 PolarHBondContact O-N 2.75Å
244F98.3Very high97.9Very high37 Ų3760.9 Ų60.916%0.16229%0.285CS..Hα-helixtrans-69-33.1-176.2-64.4-45.7000112.7N240 L242 E247 G248 K266 A267 V270N240-F244 HydrophobicContact CB-CD2 4.38Å; N240-F244 HydrophobicContact CB-CE2 4.08Å; N240-F244 WeakPolarHBondContact O-CD2 3.41Å; N240-F244 WeakPolarHBondContact O-CG 3.42Å; N240-F244 PolarHBondContact O-N 3.17Å; L242-F244 PolarHBondContact O-N 3.04Å; F244-E247 WeakPolarHBondContact CD1-OE2 3.44Å; F244-G248 PolarHBondContact O-N 2.78Å; F244-K266 HydrophobicContact CB-CB 4.45Å; F244-K266 HydrophobicContact CD1-CB 3.96Å; F244-K266 HydrophobicContact CD1-CD 4.16Å; F244-K266 HydrophobicContact CD2-CB 3.88Å; F244-K266 HydrophobicContact CE1-CB 4.12Å; F244-K266 HydrophobicContact CE1-CD 3.84Å; F244-K266 HydrophobicContact CE2-CB 4.04Å; F244-K266 HydrophobicContact CG-CB 3.85Å; F244-K266 HydrophobicContact CZ-CB 4.16Å; F244-K266 HydrophobicContact CZ-CD 4.27Å; F244-A267 HydrophobicContact CB-CB 3.72Å; F244-V270 HydrophobicContact CD2-CG2 3.8Å; F244-V270 HydrophobicContact CE2-CG2 4.04Å
245K97.4Very high97.9Very high43 Ų4367.1 Ų67.119%0.18731%0.313CS..Hα-helixtrans-63.9-45.3173.1177.2-176.7169.8-173.70111D209 L241 L242 K243 N249 L281D209-K245 IonicContact OD1-NZ 3.38Å; D209-K245 PolarHBondContact OD1-NZ 3.5Å; D209-K245 VanDerWaalsContact OD1-NZ 3.17Å; L241-K245 WeakPolarHBondContact O-CB 3.35Å; L241-K245 PolarHBondContact O-N 2.84Å; L242-K245 PolarHBondContact O-N 3.38Å; K243-K245 VanDerWaalsContact C-N 3.35Å; K243-K245 PolarHBondContact O-N 3.23Å; K245-N249 PolarHBondContact O-N 3.28Å; K245-N249 PolarHBondContact O-ND2 2.89Å; K245-N249 PolarHBondContact O-OD1 2.66Å; K245-L281 HydrophobicContact CB-CD2 4.22Å; K245-L281 HydrophobicContact CG-CD2 4.23Å
246E97.4Very high97.9Very high100 Ų10068.8 Ų68.847%0.46732%0.322SS..Hα-helixtrans-66.6-47.8177.7-72.8176.7163.100112L242 K243 G248 N249 T250L242-E246 HydrophobicContact CD1-CG 4.18Å; L242-E246 WeakPolarHBondContact CD1-OE1 3.41Å; L242-E246 WeakPolarHBondContact O-CB 3.46Å; L242-E246 WeakPolarHBondContact O-CG 3.42Å; L242-E246 PolarHBondContact O-N 2.9Å; K243-E246 PolarHBondContact O-N 3.41Å; E246-G248 VanDerWaalsContact C-N 3.3Å; E246-G248 PolarHBondContact O-N 3.06Å; E246-N249 PolarHBondContact O-N 3.25Å; E246-N249 VanDerWaalsContact O-N 3.09Å; E246-T250 PolarHBondContact O-N 3.04Å; E246-T250 PolarHBondContact O-OG1 3.02Å
247E98.2Very high97.9Very high64 Ų6463.9 Ų63.930%0.29930%0.299SS..Hα-helixtrans-53.5-48.3174.1-76.7175.9175.100111K243 F244 N249 T250 F251 A263K243-E247 WeakPolarHBondContact CE-OE1 3.4Å; K243-E247 HydrophobicContact CG-CG 4.46Å; K243-E247 IonicContact NZ-OE1 2.66Å; K243-E247 WeakPolarHBondContact O-CB 3.44Å; K243-E247 WeakPolarHBondContact O-CG 3.18Å; K243-E247 PolarHBondContact O-N 2.75Å; F244-E247 WeakPolarHBondContact CD1-OE2 3.44Å; E247-N249 PolarHBondContact O-N 2.92Å; E247-T250 PolarHBondContact O-N 3.14Å; E247-F251 HydrophobicContact CB-CD2 4.43Å; E247-F251 HydrophobicContact CB-CE2 4.06Å; E247-F251 WeakPolarHBondContact O-CD2 3.21Å; E247-F251 VanDerWaalsContact O-CG 3.29Å; E247-F251 WeakPolarHBondContact O-CG 3.42Å; E247-F251 PolarHBondContact O-N 2.86Å; E247-A263 HydrophobicContact CB-CB 4.13Å
248G98.4Very high97.9Very high0 Ų063.9 Ų63.90%031%0.312CS..Hα-helixtrans-59-44.2176.700000112.8F244 E246 F251 I252 Y264F244-G248 PolarHBondContact O-N 2.78Å; E246-G248 VanDerWaalsContact C-N 3.3Å; E246-G248 PolarHBondContact O-N 3.06Å; G248-F251 PolarHBondContact O-N 3.41Å; G248-I252 WeakPolarHBondContact O-CG1 3.39Å; G248-I252 PolarHBondContact O-N 3.2Å; G248-Y264 PolarHBondContact O-OH 3.29Å
249N97.7Very high98Very high64 Ų6468.1 Ų68.134%0.34233%0.331SS..Hα-helixtrans-65.2-41.5178.2-67.2-14000112.3K245 E246 E247 I252 H253 Y264 N284K245-N249 PolarHBondContact O-N 3.28Å; K245-N249 PolarHBondContact O-ND2 2.89Å; K245-N249 PolarHBondContact O-OD1 2.66Å; E246-N249 PolarHBondContact O-N 3.25Å; E246-N249 VanDerWaalsContact O-N 3.09Å; E247-N249 PolarHBondContact O-N 2.92Å; N249-I252 PolarHBondContact O-N 3.35Å; N249-H253 PolarHBondContact O-N 3.19Å; N249-Y264 WeakPolarHBondContact CA-OH 3.23Å; N249-Y264 PolarHBondContact N-OH 3.49Å; N249-Y264 PolarHBondContact OD1-OH 2.9Å; N249-N284 PolarHBondContact OD1-ND2 3.34Å
250T98.6Very high98Very high78 Ų7862.2 Ų62.248%0.47931%0.306SS..Hα-helixtrans-62-44.5174.3-60.80000110.8E246 E247 I252 H253 D254E246-T250 PolarHBondContact O-N 3.04Å; E246-T250 PolarHBondContact O-OG1 3.02Å; E247-T250 PolarHBondContact O-N 3.14Å; T250-I252 VanDerWaalsContact C-N 3.35Å; T250-I252 PolarHBondContact O-N 3.23Å; T250-H253 WeakPolarHBondContact O-CB 3.32Å; T250-H253 PolarHBondContact O-N 3.25Å; T250-D254 WeakPolarHBondContact O-CB 3.32Å; T250-D254 PolarHBondContact O-N 3Å
251F98.6Very high98.1Very high44 Ų4461 Ų6119%0.19330%0.299CS..Hα-helixtrans-64.9-35.1177.2-67.7-45.8000113.3E247 G248 D254 H255 K256 Q259 A260 A263E247-F251 HydrophobicContact CB-CD2 4.43Å; E247-F251 HydrophobicContact CB-CE2 4.06Å; E247-F251 WeakPolarHBondContact O-CD2 3.21Å; E247-F251 VanDerWaalsContact O-CG 3.29Å; E247-F251 WeakPolarHBondContact O-CG 3.42Å; E247-F251 PolarHBondContact O-N 2.86Å; G248-F251 PolarHBondContact O-N 3.41Å; F251-D254 PolarHBondContact O-N 3.24Å; F251-H255 PolarHBondContact O-N 3.49Å; F251-K256 HydrophobicContact CB-CB 4.14Å; F251-K256 HydrophobicContact CD1-CB 4.05Å; F251-K256 HydrophobicContact CD1-CD 3.86Å; F251-K256 HydrophobicContact CE1-CD 4.37Å; F251-K256 HydrophobicContact CG-CB 4.46Å; F251-K256 PolarHBondContact O-N 3.21Å; F251-Q259 HydrophobicContact CB-CB 4.24Å; F251-Q259 HydrophobicContact CD1-CB 3.79Å; F251-Q259 HydrophobicContact CD2-CB 3.66Å; F251-Q259 HydrophobicContact CE1-CB 4Å; F251-Q259 HydrophobicContact CE2-CB 3.88Å; F251-Q259 HydrophobicContact CG-CB 3.63Å; F251-Q259 HydrophobicContact CZ-CB 4.05Å; F251-A260 HydrophobicContact CB-CB 3.68Å; F251-A263 HydrophobicContact CD2-CB 4.17Å; F251-A263 HydrophobicContact CE2-CB 4.36Å
252I98.1Very high98.1Very high38 Ų3865.8 Ų65.820%0.19532%0.321CS..Hα-helixtrans-61.7-46.4171.1-72-63.4000111G248 N249 T250 D254 H255 Y257 A260 Y264 C287 A288G248-I252 WeakPolarHBondContact O-CG1 3.39Å; G248-I252 PolarHBondContact O-N 3.2Å; N249-I252 PolarHBondContact O-N 3.35Å; T250-I252 VanDerWaalsContact C-N 3.35Å; T250-I252 PolarHBondContact O-N 3.23Å; I252-D254 VanDerWaalsContact C-N 3.31Å; I252-D254 PolarHBondContact O-N 3.37Å; I252-H255 PolarHBondContact O-N 3.45Å; I252-Y257 HydrophobicContact CD1-CD1 4.1Å; I252-A260 HydrophobicContact CD1-CB 3.68Å; I252-A260 HydrophobicContact CG1-CB 3.81Å; I252-Y264 HydrophobicContact CD1-CE2 4.23Å; I252-Y264 HydrophobicContact CG1-CE2 3.77Å; I252-Y264 WeakPolarHBondContact CG1-OH 3.29Å; I252-C287 HydrophobicContact CD1-CB 4.41Å; I252-A288 HydrophobicContact CD1-CB 3.89Å
253H97.7Very high98.2Very high149 Ų14964.5 Ų64.569%0.6932%0.315SS*.Hα-helixtrans-62.6-38.7178.7177.4-83.7000112N249 T250 H255N249-H253 PolarHBondContact O-N 3.19Å; T250-H253 WeakPolarHBondContact O-CB 3.32Å; T250-H253 PolarHBondContact O-N 3.25Å; H253-H255 PolarHBondContact O-N 2.92Å
254D98.2Very high98.3Very high68 Ų6859.7 Ų59.736%0.36429%0.294SS..THydrogen-bonded Turntrans-79.24.9177.6-74.45.9000114T250 F251 I252 K256T250-D254 WeakPolarHBondContact O-CB 3.32Å; T250-D254 PolarHBondContact O-N 3Å; F251-D254 PolarHBondContact O-N 3.24Å; I252-D254 VanDerWaalsContact C-N 3.31Å; I252-D254 PolarHBondContact O-N 3.37Å; D254-K256 HydrophobicContact CB-CD 3.72Å; D254-K256 HydrophobicContact CB-CG 4.07Å; D254-K256 PolarHBondContact O-N 3.37Å; D254-K256 VanDerWaalsContact O-N 3.15Å; D254-K256 IonicContact OD2-NZ 3.67Å; D254-K256 PolarHBondContact OD2-NZ 3.16Å
255H97.6Very high98.3Very high132 Ų13259.5 Ų59.561%0.61130%0.296SS*.THydrogen-bonded Turntrans58.121.6-174.3-55.3-80.3000114.6F251 I252 H253 Y257F251-H255 PolarHBondContact O-N 3.49Å; I252-H255 PolarHBondContact O-N 3.45Å; H253-H255 PolarHBondContact O-N 2.92Å; H255-Y257 VanDerWaalsContact C-N 3.34Å; H255-Y257 HydrophobicContact CB-CE2 4.09Å; H255-Y257 AromaticContact ND1-CZ 3.73Å; H255-Y257 PolarHBondContact ND1-OH 2.84Å; H255-Y257 WeakPolarHBondContact O-CD2 3.48Å; H255-Y257 PolarHBondContact O-N 3.35Å
256K98.5Very high98.3Very high90 Ų9061.5 Ų61.539%0.39131%0.305SS..  trans-89.563.9177.5-69.1163.2-176.11600110.7F251 D254 S258 Q259 A260F251-K256 HydrophobicContact CB-CB 4.14Å; F251-K256 HydrophobicContact CD1-CB 4.05Å; F251-K256 HydrophobicContact CD1-CD 3.86Å; F251-K256 HydrophobicContact CE1-CD 4.37Å; F251-K256 HydrophobicContact CG-CB 4.46Å; F251-K256 PolarHBondContact O-N 3.21Å; D254-K256 HydrophobicContact CB-CD 3.72Å; D254-K256 HydrophobicContact CB-CG 4.07Å; D254-K256 PolarHBondContact O-N 3.37Å; D254-K256 VanDerWaalsContact O-N 3.15Å; D254-K256 IonicContact OD2-NZ 3.67Å; D254-K256 PolarHBondContact OD2-NZ 3.16Å; K256-S258 PolarHBondContact O-N 3.49Å; K256-Q259 HydrophobicContact CB-CB 4.35Å; K256-Q259 PolarHBondContact O-N 3.38Å; K256-Q259 VanDerWaalsContact O-N 3.11Å; K256-A260 PolarHBondContact O-N 3.33Å
257Y98.5Very high98.4Very high40 Ų4056.8 Ų56.816%0.15728%0.283CS..Hα-helixtrans-61-37.1-167.5-55.3-62.5000114.7I252 H255 Q259 A260 L261 Y291I252-Y257 HydrophobicContact CD1-CD1 4.1Å; H255-Y257 VanDerWaalsContact C-N 3.34Å; H255-Y257 HydrophobicContact CB-CE2 4.09Å; H255-Y257 AromaticContact ND1-CZ 3.73Å; H255-Y257 PolarHBondContact ND1-OH 2.84Å; H255-Y257 WeakPolarHBondContact O-CD2 3.48Å; H255-Y257 PolarHBondContact O-N 3.35Å; Y257-Q259 VanDerWaalsContact C-N 3.34Å; Y257-Q259 PolarHBondContact O-N 3.38Å; Y257-A260 WeakPolarHBondContact O-CB 3.13Å; Y257-A260 PolarHBondContact O-N 3.24Å; Y257-L261 WeakPolarHBondContact O-CB 3.41Å; Y257-L261 PolarHBondContact O-N 3.05Å; Y257-Y291 AromaticContact CD1-CD2 3.9Å; Y257-Y291 HydrophobicContact CD1-CD2 3.9Å; Y257-Y291 HydrophobicContact CD1-CG 4.04Å; Y257-Y291 HydrophobicContact CD2-CG 4.42Å; Y257-Y291 HydrophobicContact CE1-CD1 4.37Å; Y257-Y291 AromaticContact CE1-CD2 3.34Å; Y257-Y291 HydrophobicContact CE1-CD2 3.34Å; Y257-Y291 HydrophobicContact CE1-CE2 4.06Å; Y257-Y291 AromaticContact CE1-CG 3.53Å; Y257-Y291 HydrophobicContact CE1-CG 3.53Å; Y257-Y291 HydrophobicContact CE2-CD1 4.33Å; Y257-Y291 AromaticContact CE2-CG 3.96Å; Y257-Y291 HydrophobicContact CE2-CG 3.96Å; Y257-Y291 HydrophobicContact CG-CG 4.44Å; Y257-Y291 AromaticContact CZ-CD1 3.89Å; Y257-Y291 AromaticContact CZ-CD2 3.73Å; Y257-Y291 AromaticContact CZ-CG 3.46Å; Y257-Y291 VanDerWaalsContact CZ-CG 3.46Å
258S98.5Very high98.4Very high79 Ų7954.3 Ų54.355%0.55227%0.272SS*.Hα-helixtrans-63.3-38.8176.6-50.20000112.5K256 L261 E262K256-S258 PolarHBondContact O-N 3.49Å; S258-L261 PolarHBondContact O-N 3.12Å; S258-E262 PolarHBondContact O-N 3.33Å
259Q98.5Very high98.4Very high89 Ų8962.1 Ų62.142%0.41631%0.305SS..Hα-helixtrans-73.1-36.9177.5-61.6179.5-88.400111.2F251 K256 Y257 L261 E262 A263F251-Q259 HydrophobicContact CB-CB 4.24Å; F251-Q259 HydrophobicContact CD1-CB 3.79Å; F251-Q259 HydrophobicContact CD2-CB 3.66Å; F251-Q259 HydrophobicContact CE1-CB 4Å; F251-Q259 HydrophobicContact CE2-CB 3.88Å; F251-Q259 HydrophobicContact CG-CB 3.63Å; F251-Q259 HydrophobicContact CZ-CB 4.05Å; K256-Q259 HydrophobicContact CB-CB 4.35Å; K256-Q259 PolarHBondContact O-N 3.38Å; K256-Q259 VanDerWaalsContact O-N 3.11Å; Y257-Q259 VanDerWaalsContact C-N 3.34Å; Y257-Q259 PolarHBondContact O-N 3.38Å; Q259-L261 VanDerWaalsContact C-N 3.34Å; Q259-L261 PolarHBondContact O-N 3.06Å; Q259-E262 PolarHBondContact O-N 3.45Å; Q259-A263 WeakPolarHBondContact O-CB 3.13Å; Q259-A263 PolarHBondContact O-N 3.04Å
260A98.7Very high98.4Very high0 Ų060.4 Ų60.40%030%0.297CS..Hα-helixtrans-59.1-45.9172.900000111.6F251 I252 K256 Y257 E262 A263 Y264 A288F251-A260 HydrophobicContact CB-CB 3.68Å; I252-A260 HydrophobicContact CD1-CB 3.68Å; I252-A260 HydrophobicContact CG1-CB 3.81Å; K256-A260 PolarHBondContact O-N 3.33Å; Y257-A260 WeakPolarHBondContact O-CB 3.13Å; Y257-A260 PolarHBondContact O-N 3.24Å; A260-E262 VanDerWaalsContact C-N 3.34Å; A260-E262 PolarHBondContact O-N 2.96Å; A260-A263 PolarHBondContact O-N 3.13Å; A260-Y264 HydrophobicContact CB-CD2 4.42Å; A260-Y264 HydrophobicContact CB-CE2 4.11Å; A260-Y264 WeakPolarHBondContact O-CD2 3.27Å; A260-Y264 PolarHBondContact O-N 3.28Å; A260-A288 HydrophobicContact CB-CB 4.06Å
261L98.6Very high98.3Very high31 Ų3157.1 Ų57.116%0.16228%0.277CS..Hα-helixtrans-57.8-45.2176.6-178.6156.9000111.9Y257 S258 Q259 T265 R285 A288 L289 L292 R294Y257-L261 WeakPolarHBondContact O-CB 3.41Å; Y257-L261 PolarHBondContact O-N 3.05Å; S258-L261 PolarHBondContact O-N 3.12Å; Q259-L261 VanDerWaalsContact C-N 3.34Å; Q259-L261 PolarHBondContact O-N 3.06Å; L261-T265 VanDerWaalsContact O-CB 3.29Å; L261-T265 WeakPolarHBondContact O-CB 3.45Å; L261-T265 PolarHBondContact O-N 3Å; L261-T265 PolarHBondContact O-OG1 3.11Å; L261-R285 HydrophobicContact CG-CG 4.41Å; L261-A288 HydrophobicContact CB-CB 4.12Å; L261-L289 HydrophobicContact CD1-CD2 3.33Å; L261-L289 HydrophobicContact CD1-CG 3.83Å; L261-L289 HydrophobicContact CG-CD2 4.49Å; L261-L292 HydrophobicContact CD1-CD1 3.93Å; L261-R294 VanDerWaalsContact CD1-NH1 3.31Å
262E98.6Very high98.2Very high102 Ų10260 Ų6048%0.47730%0.3SS..Hα-helixtrans-63.8-46.2177.9-167.9-169.9160.100111.5S258 Q259 A260 T265 K266S258-E262 PolarHBondContact O-N 3.33Å; Q259-E262 PolarHBondContact O-N 3.45Å; A260-E262 VanDerWaalsContact C-N 3.34Å; A260-E262 PolarHBondContact O-N 2.96Å; E262-T265 WeakPolarHBondContact O-CB 3.36Å; E262-T265 PolarHBondContact O-N 2.92Å; E262-K266 WeakPolarHBondContact O-CG 3.48Å; E262-K266 PolarHBondContact O-N 3.29Å; E262-K266 WeakPolarHBondContact OE1-CE 3.47Å; E262-K266 IonicContact OE1-NZ 3.62Å; E262-K266 PolarHBondContact OE1-NZ 3.27Å
263A98.7Very high97.9Very high2 Ų260.5 Ų60.52%0.01731%0.307CS..Hα-helixtrans-61.8-47.9179.400000111.9E247 F251 Q259 A260 T265 K266 A267E247-A263 HydrophobicContact CB-CB 4.13Å; F251-A263 HydrophobicContact CD2-CB 4.17Å; F251-A263 HydrophobicContact CE2-CB 4.36Å; Q259-A263 WeakPolarHBondContact O-CB 3.13Å; Q259-A263 PolarHBondContact O-N 3.04Å; A260-A263 PolarHBondContact O-N 3.13Å; A263-T265 VanDerWaalsContact C-N 3.3Å; A263-T265 PolarHBondContact O-N 3.39Å; A263-K266 WeakPolarHBondContact O-CB 3.47Å; A263-K266 PolarHBondContact O-N 2.92Å; A263-K266 VanDerWaalsContact O-N 3.16Å; A263-A267 PolarHBondContact O-N 3.41Å
264Y98.7Very high97.8Very high3 Ų353.4 Ų53.41%0.01227%0.274CS..Hα-helixtrans-64.6-34.2175.7-64.3-47.7000112.6G248 N249 I252 A260 K266 A267 L268 L281 N284 R285G248-Y264 PolarHBondContact O-OH 3.29Å; N249-Y264 WeakPolarHBondContact CA-OH 3.23Å; N249-Y264 PolarHBondContact N-OH 3.49Å; N249-Y264 PolarHBondContact OD1-OH 2.9Å; I252-Y264 HydrophobicContact CD1-CE2 4.23Å; I252-Y264 HydrophobicContact CG1-CE2 3.77Å; I252-Y264 WeakPolarHBondContact CG1-OH 3.29Å; A260-Y264 HydrophobicContact CB-CD2 4.42Å; A260-Y264 HydrophobicContact CB-CE2 4.11Å; A260-Y264 WeakPolarHBondContact O-CD2 3.27Å; A260-Y264 PolarHBondContact O-N 3.28Å; Y264-K266 VanDerWaalsContact C-N 3.35Å; Y264-A267 WeakPolarHBondContact O-CB 3.49Å; Y264-A267 PolarHBondContact O-N 3.49Å; Y264-L268 WeakPolarHBondContact O-CG 3.49Å; Y264-L268 PolarHBondContact O-N 3.06Å; Y264-L281 HydrophobicContact CD1-CD2 3.82Å; Y264-L281 HydrophobicContact CE1-CD2 4.39Å; Y264-N284 HydrophobicContact CD1-CB 4.36Å; Y264-N284 HydrophobicContact CD2-CB 4.22Å; Y264-N284 HydrophobicContact CE1-CB 3.86Å; Y264-N284 HydrophobicContact CE2-CB 3.7Å; Y264-N284 VanDerWaalsContact CZ-CB 3.49Å; Y264-R285 HydrophobicContact CD2-CB 4.19Å; Y264-R285 HydrophobicContact CG-CB 4.35Å
265T98.6Very high97.7Very high34 Ų3452.3 Ų52.321%0.20927%0.268CS..Hα-helixtrans-65.6-37.7174-62.30000111.9L261 E262 A263 K269 R285L261-T265 VanDerWaalsContact O-CB 3.29Å; L261-T265 WeakPolarHBondContact O-CB 3.45Å; L261-T265 PolarHBondContact O-N 3Å; L261-T265 PolarHBondContact O-OG1 3.11Å; E262-T265 WeakPolarHBondContact O-CB 3.36Å; E262-T265 PolarHBondContact O-N 2.92Å; A263-T265 VanDerWaalsContact C-N 3.3Å; A263-T265 PolarHBondContact O-N 3.39Å; T265-K269 WeakPolarHBondContact O-CG 3.2Å; T265-K269 PolarHBondContact O-N 3.03Å; T265-R285 WeakPolarHBondContact OG1-CD 3.48Å; T265-R285 PolarHBondContact OG1-NH1 3.44Å
266K98.5Very high97.5Very high85 Ų8549.2 Ų49.237%0.3726%0.255SS..Hα-helixtrans-65.4-42.9171.1-70.8172.8-175.3165.50111.1F244 E262 A263 Y264 K269 V270F244-K266 HydrophobicContact CB-CB 4.45Å; F244-K266 HydrophobicContact CD1-CB 3.96Å; F244-K266 HydrophobicContact CD1-CD 4.16Å; F244-K266 HydrophobicContact CD2-CB 3.88Å; F244-K266 HydrophobicContact CE1-CB 4.12Å; F244-K266 HydrophobicContact CE1-CD 3.84Å; F244-K266 HydrophobicContact CE2-CB 4.04Å; F244-K266 HydrophobicContact CG-CB 3.85Å; F244-K266 HydrophobicContact CZ-CB 4.16Å; F244-K266 HydrophobicContact CZ-CD 4.27Å; E262-K266 WeakPolarHBondContact O-CG 3.48Å; E262-K266 PolarHBondContact O-N 3.29Å; E262-K266 WeakPolarHBondContact OE1-CE 3.47Å; E262-K266 IonicContact OE1-NZ 3.62Å; E262-K266 PolarHBondContact OE1-NZ 3.27Å; A263-K266 WeakPolarHBondContact O-CB 3.47Å; A263-K266 PolarHBondContact O-N 2.92Å; A263-K266 VanDerWaalsContact O-N 3.16Å; Y264-K266 VanDerWaalsContact C-N 3.35Å; K266-K269 PolarHBondContact O-N 3.49Å; K266-V270 WeakPolarHBondContact O-CG2 3.44Å; K266-V270 PolarHBondContact O-N 3.35Å
267A98.4Very high97.4Very high0 Ų045 Ų450%024%0.236CC..Hα-helixtrans-59.1-47.4178.200000112.3L241 F244 A263 Y264 K269 V270 L281L241-A267 HydrophobicContact CD1-CB 4.14Å; F244-A267 HydrophobicContact CB-CB 3.72Å; A263-A267 PolarHBondContact O-N 3.41Å; Y264-A267 WeakPolarHBondContact O-CB 3.49Å; Y264-A267 PolarHBondContact O-N 3.49Å; A267-K269 PolarHBondContact O-N 3.28Å; A267-V270 WeakPolarHBondContact O-CB 3.49Å; A267-V270 PolarHBondContact O-N 3.37Å; A267-L281 HydrophobicContact CB-CD1 3.63Å; A267-L281 HydrophobicContact CB-CD2 3.78Å; A267-L281 HydrophobicContact CB-CG 4.36Å
268L98.3Very high97.4Very high13 Ų1343.3 Ų43.37%0.06823%0.23CC..Hα-helixtrans-61.5-25.2178.4-75.7164.8000113.5Y264 N278 L281 Y282Y264-L268 WeakPolarHBondContact O-CG 3.49Å; Y264-L268 PolarHBondContact O-N 3.06Å; L268-N278 HydrophobicContact CD2-CB 4.06Å; L268-L281 HydrophobicContact CD2-CB 3.7Å; L268-L281 HydrophobicContact CD2-CD1 4.09Å; L268-L281 HydrophobicContact CG-CB 3.92Å; L268-L281 HydrophobicContact CG-CD1 4.17Å; L268-Y282 HydrophobicContact CD1-CD1 3.72Å; L268-Y282 HydrophobicContact CD1-CE1 3.62Å; L268-Y282 HydrophobicContact CD1-CG 4.46Å; L268-Y282 HydrophobicContact CD2-CD1 4.07Å; L268-Y282 HydrophobicContact CD2-CD2 4.03Å; L268-Y282 HydrophobicContact CD2-CE1 3.87Å; L268-Y282 HydrophobicContact CD2-CE2 3.83Å; L268-Y282 HydrophobicContact CD2-CG 4.13Å; L268-Y282 HydrophobicContact CG-CE1 4.37Å
269K98.2Very high97.3Very high163 Ų16339.5 Ų39.571%0.70920%0.204SC*.Hα-helixtrans-81.3-16.6176.2-70.2177.3-177.6-176.90113.5T265 K266 A267T265-K269 WeakPolarHBondContact O-CG 3.2Å; T265-K269 PolarHBondContact O-N 3.03Å; K266-K269 PolarHBondContact O-N 3.49Å; A267-K269 PolarHBondContact O-N 3.28Å
270V98Very high97.3Very high29 Ų2938.1 Ų38.118%0.17620%0.196CC..Hα-helixtrans-68.4-43-176.9178.10000111.3R237 N240 L241 F244 K266 A267R237-V270 HydrophobicContact CB-CG1 4.1Å; R237-V270 HydrophobicContact CG-CG1 4.38Å; R237-V270 WeakPolarHBondContact O-CG1 3.42Å; N240-V270 HydrophobicContact CB-CG1 4.31Å; N240-V270 HydrophobicContact CB-CG2 4.12Å; L241-V270 HydrophobicContact CB-CB 4.39Å; L241-V270 HydrophobicContact CB-CG1 4.03Å; L241-V270 HydrophobicContact CD1-CB 4.38Å; F244-V270 HydrophobicContact CD2-CG2 3.8Å; F244-V270 HydrophobicContact CE2-CG2 4.04Å; K266-V270 WeakPolarHBondContact O-CG2 3.44Å; K266-V270 PolarHBondContact O-N 3.35Å; A267-V270 WeakPolarHBondContact O-CB 3.49Å; A267-V270 PolarHBondContact O-N 3.37Å
271D96.8Very high97.3Very high9 Ų938.2 Ų38.25%0.04820%0.197CC..  trans-152.491.4178.7-167.3-13.7000112Y206 Y207 R237 S273 H274 N278Y206-D271 VanDerWaalsContact CE1-OD2 3.22Å; Y206-D271 WeakPolarHBondContact CE1-OD2 3.17Å; Y206-D271 WeakPolarHBondContact OH-CB 3.42Å; Y206-D271 PolarHBondContact OH-OD2 3.5Å; Y207-D271 PolarHBondContact OH-OD2 3.19Å; R237-D271 IonicContact NH1-OD2 3.52Å; D271-S273 PolarHBondContact O-N 3.14Å; D271-S273 VanDerWaalsContact O-N 3.11Å; D271-S273 WeakPolarHBondContact OD1-CB 3.37Å; D271-S273 PolarHBondContact OD1-N 3.02Å; D271-S273 PolarHBondContact OD1-OG 3.45Å; D271-H274 HydrophobicContact CB-CB 4.26Å; D271-H274 PolarHBondContact O-N 3.3Å; D271-N278 PolarHBondContact O-ND2 2.98Å
272P96.3Very high97.3Very high103 Ų10339.2 Ų39.267%0.66920%0.199SC*.THydrogen-bonded Turntrans-61.6-17.2177.2-25.535.9000114.5N278P272-N278 VanDerWaalsContact C-ND2 3.33Å; P272-N278 PolarHBondContact O-ND2 3.26Å; P272-N278 VanDerWaalsContact O-ND2 3.14Å
273S92.8Very high97.3Very high49 Ų4934.4 Ų34.434%0.34318%0.176SC..THydrogen-bonded Turntrans-85.5-7.5-178.474.10000114.1D271 D275D271-S273 PolarHBondContact O-N 3.14Å; D271-S273 VanDerWaalsContact O-N 3.11Å; D271-S273 WeakPolarHBondContact OD1-CB 3.37Å; D271-S273 PolarHBondContact OD1-N 3.02Å; D271-S273 PolarHBondContact OD1-OG 3.45Å; S273-D275 PolarHBondContact O-N 3.22Å; S273-D275 VanDerWaalsContact O-N 3.13Å
274H96Very high97.3Very high1 Ų136.2 Ų36.21%0.00519%0.186CC..  trans-85.778.5-176.2-163.5-32.4000112.5Y206 Y207 D271 M276 I277 N278Y206-H274 AromaticContact CE1-CD2 3.64Å; Y206-H274 AromaticContact CZ-CD2 3.76Å; Y206-H274 PolarHBondContact O-NE2 3.31Å; Y207-H274 WeakPolarHBondContact CA-NE2 3.35Å; Y207-H274 HydrophobicContact CD1-CB 4.42Å; Y207-H274 AromaticContact CD1-CD2 4Å; Y207-H274 HydrophobicContact CE1-CB 4.42Å; Y207-H274 PolarHBondContact O-CE1 2.95Å; D271-H274 HydrophobicContact CB-CB 4.26Å; D271-H274 PolarHBondContact O-N 3.3Å; H274-M276 PolarHBondContact O-N 3.38Å; H274-I277 WeakPolarHBondContact CE1-CG1 3.22Å; H274-I277 PolarHBondContact ND1-N 3.26Å; H274-I277 WeakPolarHBondContact NE2-CD1 3.46Å; H274-I277 PolarHBondContact O-N 2.96Å; H274-N278 WeakPolarHBondContact O-CB 3.41Å; H274-N278 PolarHBondContact O-N 2.64Å; H274-N278 PolarHBondContact O-ND2 3.43Å
275D94.8Very high97.3Very high44 Ų4438.2 Ų38.224%0.23519%0.193CC..Hα-helixtrans-54.5-47.7-171.4-61.5-9.1000113.6K175 S273 I277 N278 A279 L308K175-D275 WeakPolarHBondContact CD-OD2 3.34Å; K175-D275 WeakPolarHBondContact CE-OD2 3.34Å; K175-D275 IonicContact NZ-OD1 2.72Å; K175-D275 PolarHBondContact NZ-OD1 3.24Å; K175-D275 IonicContact NZ-OD2 2.68Å; K175-D275 PolarHBondContact NZ-OD2 2.9Å; S273-D275 PolarHBondContact O-N 3.22Å; S273-D275 VanDerWaalsContact O-N 3.13Å; D275-I277 PolarHBondContact O-N 2.91Å; D275-N278 PolarHBondContact O-N 2.66Å; D275-A279 WeakPolarHBondContact O-CB 3.42Å; D275-A279 PolarHBondContact O-N 2.97Å; D275-L308 HydrophobicContact CB-CD2 4.03Å
276M93.9Very high97.3Very high68 Ų6836.6 Ų36.634%0.33518%0.183SC..Hα-helixtrans-69.5-35.9-173.2-172.815463.100112.8L208 D209 H274 K280L208-M276 VanDerWaalsContact CA-CE 3.45Å; L208-M276 HydrophobicContact CB-CE 4.41Å; L208-M276 VanDerWaalsContact O-CE 3.23Å; L208-M276 WeakPolarHBondContact O-CE 3.42Å; D209-M276 HydrophobicContact CB-CE 3.85Å; D209-M276 HydrophobicContact CB-CG 4.33Å; H274-M276 PolarHBondContact O-N 3.38Å; M276-K280 WeakPolarHBondContact O-CG 3.42Å
277I96.1Very high97.3Very high1 Ų133.2 Ų33.21%0.00517%0.17CC..Hα-helixtrans-77.7-41173.6-71.6-178.7000110.7D209 L211 L241 H274 D275 A279 K280 L281D209-I277 HydrophobicContact CB-CD1 4.26Å; D209-I277 HydrophobicContact CB-CG1 3.83Å; D209-I277 VanDerWaalsContact OD1-CD1 3.3Å; D209-I277 WeakPolarHBondContact OD1-CD1 3.44Å; D209-I277 WeakPolarHBondContact OD1-CG1 3.47Å; L211-I277 HydrophobicContact CD1-CD1 3.66Å; L211-I277 HydrophobicContact CD2-CD1 3.57Å; L211-I277 HydrophobicContact CG-CD1 3.58Å; L241-I277 HydrophobicContact CD1-CG2 4.12Å; L241-I277 HydrophobicContact CD2-CD1 3.86Å; L241-I277 HydrophobicContact CD2-CG2 4.14Å; L241-I277 HydrophobicContact CG-CG2 4.36Å; H274-I277 WeakPolarHBondContact CE1-CG1 3.22Å; H274-I277 PolarHBondContact ND1-N 3.26Å; H274-I277 WeakPolarHBondContact NE2-CD1 3.46Å; H274-I277 PolarHBondContact O-N 2.96Å; D275-I277 PolarHBondContact O-N 2.91Å; I277-A279 VanDerWaalsContact C-N 3.29Å; I277-A279 PolarHBondContact O-N 3.21Å; I277-K280 CarbonylContact O-C 3.52Å; I277-K280 WeakPolarHBondContact O-CA 3.44Å; I277-K280 WeakPolarHBondContact O-CB 3.4Å; I277-K280 PolarHBondContact O-N 2.85Å; I277-L281 HydrophobicContact CG2-CD1 3.66Å; I277-L281 HydrophobicContact CG2-CG 3.83Å; I277-L281 WeakPolarHBondContact O-CG 3.44Å; I277-L281 PolarHBondContact O-N 2.9Å
278N97.8Very high97.3Very high4 Ų433.2 Ų33.22%0.02117%0.17CC..Hα-helixtrans-62.3-37.9-179-70.3-16.2000111.3L268 D271 P272 H274 D275 K280 L281 Y282 L308L268-N278 HydrophobicContact CD2-CB 4.06Å; D271-N278 PolarHBondContact O-ND2 2.98Å; P272-N278 VanDerWaalsContact C-ND2 3.33Å; P272-N278 PolarHBondContact O-ND2 3.26Å; P272-N278 VanDerWaalsContact O-ND2 3.14Å; H274-N278 WeakPolarHBondContact O-CB 3.41Å; H274-N278 PolarHBondContact O-N 2.64Å; H274-N278 PolarHBondContact O-ND2 3.43Å; D275-N278 PolarHBondContact O-N 2.66Å; N278-K280 VanDerWaalsContact C-N 3.32Å; N278-K280 PolarHBondContact O-N 2.97Å; N278-L281 PolarHBondContact O-N 3.23Å; N278-Y282 HydrophobicContact CB-CD2 4.37Å; N278-Y282 HydrophobicContact CB-CE2 4.2Å; N278-Y282 WeakPolarHBondContact O-CB 3.34Å; N278-Y282 WeakPolarHBondContact O-CD2 3.41Å; N278-Y282 PolarHBondContact O-N 3.3Å; N278-L308 HydrophobicContact CB-CD1 3.76Å
279A97.8Very high97.3Very high0 Ų032.8 Ų32.80%017%0.168CC..Hα-helixtrans-54.2-48.5171.300000111.7D275 I277 C283 A305 L308 E309 Y312D275-A279 WeakPolarHBondContact O-CB 3.42Å; D275-A279 PolarHBondContact O-N 2.97Å; I277-A279 VanDerWaalsContact C-N 3.29Å; I277-A279 PolarHBondContact O-N 3.21Å; A279-C283 WeakPolarHBondContact O-CB 3.46Å; A279-C283 PolarHBondContact O-N 3.34Å; A279-A305 WeakPolarHBondContact O-CB 3.26Å; A279-L308 HydrophobicContact CB-CB 3.95Å; A279-L308 HydrophobicContact CB-CD1 4.42Å; A279-E309 HydrophobicContact CB-CB 4.09Å; A279-Y312 HydrophobicContact CB-CD1 4.23Å; A279-Y312 HydrophobicContact CB-CE1 4.4Å; A279-Y312 WeakPolarHBondContact O-CE1 3.36Å
280K97.4Very high97.3Very high60 Ų6026.9 Ų26.926%0.26114%0.142SC..Hα-helixtrans-65.6-41.8178.1-61.3176.1-172.6-1770112.2D209 M276 I277 N278 C283 N284 Y312D209-K280 IonicContact OD2-NZ 2.75Å; D209-K280 PolarHBondContact OD2-NZ 3.25Å; M276-K280 WeakPolarHBondContact O-CG 3.42Å; I277-K280 CarbonylContact O-C 3.52Å; I277-K280 WeakPolarHBondContact O-CA 3.44Å; I277-K280 WeakPolarHBondContact O-CB 3.4Å; I277-K280 PolarHBondContact O-N 2.85Å; N278-K280 VanDerWaalsContact C-N 3.32Å; N278-K280 PolarHBondContact O-N 2.97Å; K280-C283 PolarHBondContact O-N 3.46Å; K280-N284 WeakPolarHBondContact O-CB 3.42Å; K280-N284 VanDerWaalsContact O-CG 3.24Å; K280-N284 PolarHBondContact O-N 3.04Å; K280-N284 PolarHBondContact O-OD1 2.65Å; K280-Y312 HydrophobicContact CG-CE1 4.38Å
281L98.4Very high97.3Very high2 Ų231.3 Ų31.31%0.0116%0.157CC..Hα-helixtrans-65.2-44.5178.3-70.2176.4000111.8L241 K245 Y264 A267 L268 I277 N278 N284 R285L241-L281 HydrophobicContact CD1-CD1 3.96Å; K245-L281 HydrophobicContact CB-CD2 4.22Å; K245-L281 HydrophobicContact CG-CD2 4.23Å; Y264-L281 HydrophobicContact CD1-CD2 3.82Å; Y264-L281 HydrophobicContact CE1-CD2 4.39Å; A267-L281 HydrophobicContact CB-CD1 3.63Å; A267-L281 HydrophobicContact CB-CD2 3.78Å; A267-L281 HydrophobicContact CB-CG 4.36Å; L268-L281 HydrophobicContact CD2-CB 3.7Å; L268-L281 HydrophobicContact CD2-CD1 4.09Å; L268-L281 HydrophobicContact CG-CB 3.92Å; L268-L281 HydrophobicContact CG-CD1 4.17Å; I277-L281 HydrophobicContact CG2-CD1 3.66Å; I277-L281 HydrophobicContact CG2-CG 3.83Å; I277-L281 WeakPolarHBondContact O-CG 3.44Å; I277-L281 PolarHBondContact O-N 2.9Å; N278-L281 PolarHBondContact O-N 3.23Å; L281-N284 PolarHBondContact O-N 3.24Å; L281-R285 WeakPolarHBondContact O-CB 3.31Å; L281-R285 PolarHBondContact O-N 3.22Å
282Y98.7Very high97.3Very high52 Ų5233.3 Ų33.320%0.20417%0.167CC..Hα-helixtrans-60.7-47.4173.5-76.2-56.7000111.2L268 N278 N284 R285 A286 D301 N304 L308L268-Y282 HydrophobicContact CD1-CD1 3.72Å; L268-Y282 HydrophobicContact CD1-CE1 3.62Å; L268-Y282 HydrophobicContact CD1-CG 4.46Å; L268-Y282 HydrophobicContact CD2-CD1 4.07Å; L268-Y282 HydrophobicContact CD2-CD2 4.03Å; L268-Y282 HydrophobicContact CD2-CE1 3.87Å; L268-Y282 HydrophobicContact CD2-CE2 3.83Å; L268-Y282 HydrophobicContact CD2-CG 4.13Å; L268-Y282 HydrophobicContact CG-CE1 4.37Å; N278-Y282 HydrophobicContact CB-CD2 4.37Å; N278-Y282 HydrophobicContact CB-CE2 4.2Å; N278-Y282 WeakPolarHBondContact O-CB 3.34Å; N278-Y282 WeakPolarHBondContact O-CD2 3.41Å; N278-Y282 PolarHBondContact O-N 3.3Å; Y282-N284 VanDerWaalsContact C-N 3.28Å; Y282-N284 PolarHBondContact O-N 2.72Å; Y282-R285 PolarHBondContact O-N 3.44Å; Y282-A286 WeakPolarHBondContact O-CB 3.39Å; Y282-A286 PolarHBondContact O-N 3.2Å; Y282-D301 WeakPolarHBondContact CB-O 3.25Å; Y282-D301 HydrophobicContact CD1-CB 4.45Å; Y282-N304 HydrophobicContact CD1-CB 4.06Å; Y282-N304 HydrophobicContact CD2-CB 3.77Å; Y282-N304 HydrophobicContact CE1-CB 4.17Å; Y282-N304 HydrophobicContact CE2-CB 3.88Å; Y282-N304 HydrophobicContact CG-CB 3.89Å; Y282-L308 HydrophobicContact CD2-CD1 3.91Å; Y282-L308 HydrophobicContact CE2-CD1 3.9Å
283C98.4Very high97.4Very high1 Ų134.1 Ų34.11%0.00717%0.166CC..Hα-helixtrans-60.3-36176.3174.90000112.9A279 K280 C287 A305 Y312 A315 R318A279-C283 WeakPolarHBondContact O-CB 3.46Å; A279-C283 PolarHBondContact O-N 3.34Å; K280-C283 PolarHBondContact O-N 3.46Å; C283-C287 PolarHBondContact O-N 2.9Å; C283-A305 HydrophobicContact CB-CB 4.31Å; C283-Y312 HydrophobicContact CB-CD1 4.23Å; C283-Y312 HydrophobicContact CB-CE1 3.38Å; C283-A315 HydrophobicContact CB-CB 4.29Å; C283-R318 PolarHBondContact O-NE 3.23Å
284N98.3Very high97.6Very high40 Ų4036.6 Ų36.621%0.21417%0.168CC..Hα-helixtrans-76.3-36.9176.9-72.8-3.7000112.3N249 Y264 K280 L281 Y282 C287 A288N249-N284 PolarHBondContact OD1-ND2 3.34Å; Y264-N284 HydrophobicContact CD1-CB 4.36Å; Y264-N284 HydrophobicContact CD2-CB 4.22Å; Y264-N284 HydrophobicContact CE1-CB 3.86Å; Y264-N284 HydrophobicContact CE2-CB 3.7Å; Y264-N284 VanDerWaalsContact CZ-CB 3.49Å; K280-N284 WeakPolarHBondContact O-CB 3.42Å; K280-N284 VanDerWaalsContact O-CG 3.24Å; K280-N284 PolarHBondContact O-N 3.04Å; K280-N284 PolarHBondContact O-OD1 2.65Å; L281-N284 PolarHBondContact O-N 3.24Å; Y282-N284 VanDerWaalsContact C-N 3.28Å; Y282-N284 PolarHBondContact O-N 2.72Å; N284-C287 WeakPolarHBondContact O-CA 3.32Å; N284-C287 WeakPolarHBondContact O-CB 3.42Å; N284-C287 PolarHBondContact O-N 3.2Å; N284-A288 PolarHBondContact O-N 2.75Å
285R98.7Very high97.7Very high45 Ų4538.1 Ų38.117%0.1717%0.174CC..Hα-helixtrans-67.7-39.2174.8-168.7173.770.9171.51111.7L261 Y264 T265 L281 Y282 C287 A288 L289 D301L261-R285 HydrophobicContact CG-CG 4.41Å; Y264-R285 HydrophobicContact CD2-CB 4.19Å; Y264-R285 HydrophobicContact CG-CB 4.35Å; T265-R285 WeakPolarHBondContact OG1-CD 3.48Å; T265-R285 PolarHBondContact OG1-NH1 3.44Å; L281-R285 WeakPolarHBondContact O-CB 3.31Å; L281-R285 PolarHBondContact O-N 3.22Å; Y282-R285 PolarHBondContact O-N 3.44Å; R285-C287 PolarHBondContact O-N 3.45Å; R285-A288 WeakPolarHBondContact O-CB 3.37Å; R285-A288 PolarHBondContact O-N 2.91Å; R285-A288 VanDerWaalsContact O-N 3.09Å; R285-L289 HydrophobicContact CG-CD1 4.27Å; R285-L289 WeakPolarHBondContact O-CG 3.37Å; R285-L289 PolarHBondContact O-N 3.25Å; R285-D301 WeakPolarHBondContact CB-OD2 3.35Å; R285-D301 WeakPolarHBondContact CG-OD2 3.5Å; R285-D301 IonicContact CZ-OD1 2.71Å; R285-D301 IonicContact CZ-OD2 2.69Å; R285-D301 IonicContact NE-OD1 3.73Å; R285-D301 IonicContact NE-OD2 3.73Å; R285-D301 PolarHBondContact NE-OD2 3.21Å; R285-D301 IonicContact NH2-OD1 2.63Å; R285-D301 PolarHBondContact NH2-OD1 2.97Å; R285-D301 IonicContact NH2-OD2 3.42Å; R285-D301 PolarHBondContact NH2-OD2 3.45Å
286A98.7Very high97.8Very high0 Ų041.7 Ų41.70%019%0.19CC..Hα-helixtrans-57.1-31.9168.100000112.4Y282 F290 A298 D301 R318Y282-A286 WeakPolarHBondContact O-CB 3.39Å; Y282-A286 PolarHBondContact O-N 3.2Å; A286-F290 VanDerWaalsContact O-CB 3.28Å; A286-F290 WeakPolarHBondContact O-CB 3.39Å; A286-F290 PolarHBondContact O-N 2.81Å; A286-A298 HydrophobicContact CB-CB 4.24Å; A286-D301 HydrophobicContact CB-CB 3.72Å; A286-R318 VanDerWaalsContact C-CD 3.47Å; A286-R318 HydrophobicContact CB-CG 4.44Å
287C98.4Very high98Very high14 Ų1442.7 Ų42.710%0.09519%0.193CC..Hα-helixtrans-63.8-49.7173.4-161.70000111.4I252 C283 N284 R285 L289 F290 Y291 R318I252-C287 HydrophobicContact CD1-CB 4.41Å; C283-C287 PolarHBondContact O-N 2.9Å; N284-C287 WeakPolarHBondContact O-CA 3.32Å; N284-C287 WeakPolarHBondContact O-CB 3.42Å; N284-C287 PolarHBondContact O-N 3.2Å; R285-C287 PolarHBondContact O-N 3.45Å; C287-L289 VanDerWaalsContact C-N 3.33Å; C287-L289 PolarHBondContact O-N 3.27Å; C287-F290 PolarHBondContact O-N 3.41Å; C287-Y291 WeakPolarHBondContact O-CD2 3.4Å; C287-Y291 PolarHBondContact O-N 3.24Å; C287-R318 VanDerWaalsContact CA-NH1 3.32Å; C287-R318 VanDerWaalsContact CB-NH1 3.32Å; C287-R318 VanDerWaalsContact CB-NH2 3.33Å; C287-R318 VanDerWaalsContact SG-CZ 3.54Å; C287-R318 PolarHBondContact SG-NH1 2.91Å; C287-R318 PolarHBondContact SG-NH2 3.21Å; C287-R318 VanDerWaalsContact SG-NH2 3.38Å
288A98.5Very high98.1Very high0 Ų042.6 Ų42.60%019%0.193CC..Hα-helixtrans-60-44.8176.800000111.3I252 A260 L261 N284 R285 Y291 L292I252-A288 HydrophobicContact CD1-CB 3.89Å; A260-A288 HydrophobicContact CB-CB 4.06Å; L261-A288 HydrophobicContact CB-CB 4.12Å; N284-A288 PolarHBondContact O-N 2.75Å; R285-A288 WeakPolarHBondContact O-CB 3.37Å; R285-A288 PolarHBondContact O-N 2.91Å; R285-A288 VanDerWaalsContact O-N 3.09Å; A288-Y291 PolarHBondContact O-N 2.86Å; A288-L292 VanDerWaalsContact O-CG 3.27Å; A288-L292 WeakPolarHBondContact O-CG 3.43Å; A288-L292 PolarHBondContact O-N 3.33Å
289L98.7Very high98.1Very high3 Ų342.9 Ų42.92%0.01620%0.195CC..Hα-helixtrans-61.6-42.5177.5-74.1163.6000112.4L261 R285 C287 Y291 L292 D293 R294 E297 A298 D301L261-L289 HydrophobicContact CD1-CD2 3.33Å; L261-L289 HydrophobicContact CD1-CG 3.83Å; L261-L289 HydrophobicContact CG-CD2 4.49Å; R285-L289 HydrophobicContact CG-CD1 4.27Å; R285-L289 WeakPolarHBondContact O-CG 3.37Å; R285-L289 PolarHBondContact O-N 3.25Å; C287-L289 VanDerWaalsContact C-N 3.33Å; C287-L289 PolarHBondContact O-N 3.27Å; L289-Y291 PolarHBondContact O-N 3.2Å; L289-L292 CarbonylContact O-C 3.19Å; L289-L292 PolarHBondContact O-N 2.95Å; L289-L292 VanDerWaalsContact O-N 3.08Å; L289-D293 PolarHBondContact O-N 3.25Å; L289-R294 HydrophobicContact CB-CB 4.34Å; L289-R294 HydrophobicContact CD2-CB 3.79Å; L289-R294 PolarHBondContact O-N 2.93Å; L289-E297 HydrophobicContact CD1-CB 3.91Å; L289-E297 HydrophobicContact CD2-CB 3.86Å; L289-E297 HydrophobicContact CG-CB 4.43Å; L289-A298 HydrophobicContact CB-CB 3.76Å; L289-D301 WeakPolarHBondContact CD1-OD2 3.24Å
290F98.3Very high98.2Very high40 Ų4047.2 Ų47.218%0.17522%0.218CC..Hα-helixtrans-59.3-44.2176.6-178.7-87.8000112A286 C287 L292 D293 F295 K321 S325A286-F290 VanDerWaalsContact O-CB 3.28Å; A286-F290 WeakPolarHBondContact O-CB 3.39Å; A286-F290 PolarHBondContact O-N 2.81Å; C287-F290 PolarHBondContact O-N 3.41Å; F290-L292 PolarHBondContact O-N 3.29Å; F290-D293 PolarHBondContact O-N 2.73Å; F290-F295 AromaticContact CD2-CD1 3.7Å; F290-F295 HydrophobicContact CD2-CD1 3.7Å; F290-F295 AromaticContact CD2-CE1 3.71Å; F290-F295 HydrophobicContact CD2-CE1 3.71Å; F290-F295 AromaticContact CE2-CD1 3.99Å; F290-F295 HydrophobicContact CE2-CD1 3.99Å; F290-F295 AromaticContact CE2-CE1 3.74Å; F290-F295 HydrophobicContact CE2-CE1 3.74Å; F290-F295 HydrophobicContact CG-CD1 4.43Å; F290-F295 HydrophobicContact CG-CE1 4.22Å; F290-F295 HydrophobicContact CZ-CE1 4.28Å; F290-F295 WeakPolarHBondContact O-CE1 3.5Å; F290-K321 HydrophobicContact CE2-CB 3.94Å; F290-K321 HydrophobicContact CZ-CB 4.28Å; F290-S325 WeakPolarHBondContact CE2-OG 3.4Å
291Y97.7Very high98.2Very high122 Ų12244.5 Ų44.548%0.47821%0.206SC..THydrogen-bonded Turntrans-75.8-5.8177.3-73-66.6000114.3Y257 C287 A288 L289Y257-Y291 AromaticContact CD1-CD2 3.9Å; Y257-Y291 HydrophobicContact CD1-CD2 3.9Å; Y257-Y291 HydrophobicContact CD1-CG 4.04Å; Y257-Y291 HydrophobicContact CD2-CG 4.42Å; Y257-Y291 HydrophobicContact CE1-CD1 4.37Å; Y257-Y291 AromaticContact CE1-CD2 3.34Å; Y257-Y291 HydrophobicContact CE1-CD2 3.34Å; Y257-Y291 HydrophobicContact CE1-CE2 4.06Å; Y257-Y291 AromaticContact CE1-CG 3.53Å; Y257-Y291 HydrophobicContact CE1-CG 3.53Å; Y257-Y291 HydrophobicContact CE2-CD1 4.33Å; Y257-Y291 AromaticContact CE2-CG 3.96Å; Y257-Y291 HydrophobicContact CE2-CG 3.96Å; Y257-Y291 HydrophobicContact CG-CG 4.44Å; Y257-Y291 AromaticContact CZ-CD1 3.89Å; Y257-Y291 AromaticContact CZ-CD2 3.73Å; Y257-Y291 AromaticContact CZ-CG 3.46Å; Y257-Y291 VanDerWaalsContact CZ-CG 3.46Å; C287-Y291 WeakPolarHBondContact O-CD2 3.4Å; C287-Y291 PolarHBondContact O-N 3.24Å; A288-Y291 PolarHBondContact O-N 2.86Å; L289-Y291 PolarHBondContact O-N 3.2Å
292L98Very high98.2Very high50 Ų5044.4 Ų44.426%0.26221%0.206SC..THydrogen-bonded Turntrans-101.210.5170.9-67.6169.7000111.7L261 A288 L289 F290 R294L261-L292 HydrophobicContact CD1-CD1 3.93Å; A288-L292 VanDerWaalsContact O-CG 3.27Å; A288-L292 WeakPolarHBondContact O-CG 3.43Å; A288-L292 PolarHBondContact O-N 3.33Å; L289-L292 CarbonylContact O-C 3.19Å; L289-L292 PolarHBondContact O-N 2.95Å; L289-L292 VanDerWaalsContact O-N 3.08Å; F290-L292 PolarHBondContact O-N 3.29Å; L292-R294 HydrophobicContact CB-CG 4.27Å; L292-R294 PolarHBondContact O-N 3.4Å; L292-R294 VanDerWaalsContact O-N 3.15Å
293D97.2Very high98.2Very high121 Ų12145 Ų4565%0.64721%0.212SC*.THydrogen-bonded Turntrans56.724.3-175.3-55.5-48.4000114.3L289 F290 F295L289-D293 PolarHBondContact O-N 3.25Å; F290-D293 PolarHBondContact O-N 2.73Å; D293-F295 VanDerWaalsContact C-N 3.34Å; D293-F295 HydrophobicContact CB-CE2 4.04Å; D293-F295 HydrophobicContact CB-CZ 3.98Å; D293-F295 PolarHBondContact O-N 3.08Å; D293-F295 WeakPolarHBondContact OD1-CZ 3.36Å
294R98Very high98.2Very high100 Ų10047.2 Ų47.238%0.37722%0.224SC..  trans-95.560.5177.8-66.8169.768.51805.6110.3L261 L289 L292 E296 E297 A298L261-R294 VanDerWaalsContact CD1-NH1 3.31Å; L289-R294 HydrophobicContact CB-CB 4.34Å; L289-R294 HydrophobicContact CD2-CB 3.79Å; L289-R294 PolarHBondContact O-N 2.93Å; L292-R294 HydrophobicContact CB-CG 4.27Å; L292-R294 PolarHBondContact O-N 3.4Å; L292-R294 VanDerWaalsContact O-N 3.15Å; R294-E296 PolarHBondContact O-N 3.11Å; R294-E297 IonicContact CZ-OE1 2.78Å; R294-E297 IonicContact CZ-OE2 3.59Å; R294-E297 IonicContact NE-OE1 2.69Å; R294-E297 PolarHBondContact NE-OE1 3.1Å; R294-E297 IonicContact NE-OE2 2.65Å; R294-E297 IonicContact NH2-OE1 3.39Å; R294-E297 PolarHBondContact NH2-OE1 3.25Å; R294-E297 IonicContact NH2-OE2 3.85Å; R294-E297 PolarHBondContact NH2-OE2 3.46Å; R294-E297 PolarHBondContact O-N 2.83Å; R294-A298 PolarHBondContact O-N 3.39Å
295F97Very high98.2Very high33 Ų3345.3 Ų45.315%0.14521%0.214CC..Hα-helixtrans-64.2-38.9-168.7-54.6-59000114F290 D293 E297 A298 L299 L326F290-F295 AromaticContact CD2-CD1 3.7Å; F290-F295 HydrophobicContact CD2-CD1 3.7Å; F290-F295 AromaticContact CD2-CE1 3.71Å; F290-F295 HydrophobicContact CD2-CE1 3.71Å; F290-F295 AromaticContact CE2-CD1 3.99Å; F290-F295 HydrophobicContact CE2-CD1 3.99Å; F290-F295 AromaticContact CE2-CE1 3.74Å; F290-F295 HydrophobicContact CE2-CE1 3.74Å; F290-F295 HydrophobicContact CG-CD1 4.43Å; F290-F295 HydrophobicContact CG-CE1 4.22Å; F290-F295 HydrophobicContact CZ-CE1 4.28Å; F290-F295 WeakPolarHBondContact O-CE1 3.5Å; D293-F295 VanDerWaalsContact C-N 3.34Å; D293-F295 HydrophobicContact CB-CE2 4.04Å; D293-F295 HydrophobicContact CB-CZ 3.98Å; D293-F295 PolarHBondContact O-N 3.08Å; D293-F295 WeakPolarHBondContact OD1-CZ 3.36Å; F295-E297 PolarHBondContact O-N 3.18Å; F295-A298 CarbonylContact O-C 3.13Å; F295-A298 WeakPolarHBondContact O-CB 3.43Å; F295-A298 PolarHBondContact O-N 3.5Å; F295-A298 VanDerWaalsContact O-N 3.16Å; F295-L299 WeakPolarHBondContact O-CG 3.38Å; F295-L299 PolarHBondContact O-N 3.15Å; F295-L326 HydrophobicContact CB-CD1 3.84Å; F295-L326 HydrophobicContact CB-CD2 3.85Å; F295-L326 HydrophobicContact CB-CG 3.65Å; F295-L326 HydrophobicContact CD2-CD2 4.21Å; F295-L326 HydrophobicContact CD2-CG 4.39Å; F295-L326 HydrophobicContact CG-CD2 4.48Å; F295-L326 HydrophobicContact CG-CG 4.32Å
296E97.2Very high98.1Very high120 Ų12044 Ų4456%0.56121%0.21SC*.Hα-helixtrans-62-42.7178.1-69.9-67.9178.900112.4R294 A298 L299 N300 L326R294-E296 PolarHBondContact O-N 3.11Å; E296-A298 VanDerWaalsContact C-N 3.33Å; E296-L299 WeakPolarHBondContact O-CB 3.45Å; E296-L299 PolarHBondContact O-N 3.18Å; E296-N300 PolarHBondContact O-N 3.1Å; E296-N300 VanDerWaalsContact O-N 3.13Å; E296-L326 HydrophobicContact CG-CD2 4.47Å
297E98.3Very high98Very high88 Ų8848 Ų4841%0.41124%0.238SC..Hα-helixtrans-68.5-35.9175.1-68.1-178.7-10800111.5L289 R294 F295 L299 N300 D301L289-E297 HydrophobicContact CD1-CB 3.91Å; L289-E297 HydrophobicContact CD2-CB 3.86Å; L289-E297 HydrophobicContact CG-CB 4.43Å; R294-E297 IonicContact CZ-OE1 2.78Å; R294-E297 IonicContact CZ-OE2 3.59Å; R294-E297 IonicContact NE-OE1 2.69Å; R294-E297 PolarHBondContact NE-OE1 3.1Å; R294-E297 IonicContact NE-OE2 2.65Å; R294-E297 IonicContact NH2-OE1 3.39Å; R294-E297 PolarHBondContact NH2-OE1 3.25Å; R294-E297 IonicContact NH2-OE2 3.85Å; R294-E297 PolarHBondContact NH2-OE2 3.46Å; R294-E297 PolarHBondContact O-N 2.83Å; F295-E297 PolarHBondContact O-N 3.18Å; E297-L299 VanDerWaalsContact C-N 3.33Å; E297-N300 PolarHBondContact O-N 3.44Å; E297-D301 PolarHBondContact O-N 2.79Å
298A98.6Very high97.9Very high0 Ų050.1 Ų50.10%025%0.248CC..Hα-helixtrans-64.6-37.6174.600000111.9A286 L289 R294 F295 E296 D301 C302A286-A298 HydrophobicContact CB-CB 4.24Å; L289-A298 HydrophobicContact CB-CB 3.76Å; R294-A298 PolarHBondContact O-N 3.39Å; F295-A298 CarbonylContact O-C 3.13Å; F295-A298 WeakPolarHBondContact O-CB 3.43Å; F295-A298 PolarHBondContact O-N 3.5Å; F295-A298 VanDerWaalsContact O-N 3.16Å; E296-A298 VanDerWaalsContact C-N 3.33Å; A298-D301 PolarHBondContact O-N 2.97Å; A298-C302 PolarHBondContact O-N 2.99Å; A298-C302 PolarHBondContact O-SG 3.48Å
299L98.3Very high97.7Very high10 Ų1053.4 Ų53.45%0.05226%0.264CS..Hα-helixtrans-60.8-49.6173.4-76.1178.2000111.1F295 E296 E297 D301 C302 D303 R319 C322 Y323 L326F295-L299 WeakPolarHBondContact O-CG 3.38Å; F295-L299 PolarHBondContact O-N 3.15Å; E296-L299 WeakPolarHBondContact O-CB 3.45Å; E296-L299 PolarHBondContact O-N 3.18Å; E297-L299 VanDerWaalsContact C-N 3.33Å; L299-D301 VanDerWaalsContact C-N 3.29Å; L299-D301 PolarHBondContact O-N 3.33Å; L299-C302 WeakPolarHBondContact O-CA 3.39Å; L299-C302 WeakPolarHBondContact O-CB 3.42Å; L299-C302 PolarHBondContact O-N 3.35Å; L299-D303 PolarHBondContact O-N 3.21Å; L299-R319 HydrophobicContact CD2-CG 3.64Å; L299-C322 HydrophobicContact CD2-CB 3.48Å; L299-C322 VanDerWaalsContact CD2-CB 3.48Å; L299-C322 HydrophobicContact CG-CB 3.78Å; L299-Y323 HydrophobicContact CD1-CD1 3.99Å; L299-Y323 HydrophobicContact CD1-CE1 3.64Å; L299-Y323 HydrophobicContact CD2-CD1 4.02Å; L299-Y323 HydrophobicContact CD2-CD2 4.37Å; L299-Y323 HydrophobicContact CD2-CE1 3.81Å; L299-Y323 HydrophobicContact CD2-CE2 4.2Å; L299-Y323 HydrophobicContact CD2-CG 4.29Å; L299-Y323 HydrophobicContact CG-CE1 4.42Å; L299-L326 HydrophobicContact CD1-CD1 3.44Å; L299-L326 VanDerWaalsContact CD1-CD1 3.44Å; L299-L326 HydrophobicContact CG-CD1 4.29Å
300N98.4Very high97.4Very high91 Ų9157 Ų5749%0.48729%0.287SS..Hα-helixtrans-57.8-41.7177.1178.864.9000112E296 E297 D303 N304E296-N300 PolarHBondContact O-N 3.1Å; E296-N300 VanDerWaalsContact O-N 3.13Å; E297-N300 PolarHBondContact O-N 3.44Å; N300-D303 PolarHBondContact O-N 3.04Å; N300-N304 PolarHBondContact ND2-ND2 3.04Å; N300-N304 PolarHBondContact O-N 3.39Å; N300-N304 PolarHBondContact O-ND2 3.01Å
301D98.6Very high97Very high3 Ų360.7 Ų60.72%0.01631%0.309CS..Hα-helixtrans-65.7-38.3173.9-861.1000112.6Y282 R285 A286 L289 E297 A298 L299 D303 N304 A305Y282-D301 WeakPolarHBondContact CB-O 3.25Å; Y282-D301 HydrophobicContact CD1-CB 4.45Å; R285-D301 WeakPolarHBondContact CB-OD2 3.35Å; R285-D301 WeakPolarHBondContact CG-OD2 3.5Å; R285-D301 IonicContact CZ-OD1 2.71Å; R285-D301 IonicContact CZ-OD2 2.69Å; R285-D301 IonicContact NE-OD1 3.73Å; R285-D301 IonicContact NE-OD2 3.73Å; R285-D301 PolarHBondContact NE-OD2 3.21Å; R285-D301 IonicContact NH2-OD1 2.63Å; R285-D301 PolarHBondContact NH2-OD1 2.97Å; R285-D301 IonicContact NH2-OD2 3.42Å; R285-D301 PolarHBondContact NH2-OD2 3.45Å; A286-D301 HydrophobicContact CB-CB 3.72Å; L289-D301 WeakPolarHBondContact CD1-OD2 3.24Å; E297-D301 PolarHBondContact O-N 2.79Å; A298-D301 PolarHBondContact O-N 2.97Å; L299-D301 VanDerWaalsContact C-N 3.29Å; L299-D301 PolarHBondContact O-N 3.33Å; D301-D303 VanDerWaalsContact C-N 3.33Å; D301-D303 PolarHBondContact O-N 3.19Å; D301-N304 PolarHBondContact O-N 2.98Å; D301-A305 WeakPolarHBondContact O-CB 3.44Å; D301-A305 PolarHBondContact O-N 2.99Å
302C98.5Very high96.9Very high0 Ų056.2 Ų56.20%029%0.291CS..Hα-helixtrans-62.9-40.8174.3-67.30000111.7A298 L299 A305 I306 R319A298-C302 PolarHBondContact O-N 2.99Å; A298-C302 PolarHBondContact O-SG 3.48Å; L299-C302 WeakPolarHBondContact O-CA 3.39Å; L299-C302 WeakPolarHBondContact O-CB 3.42Å; L299-C302 PolarHBondContact O-N 3.35Å; C302-A305 PolarHBondContact O-N 3.44Å; C302-I306 WeakPolarHBondContact O-CB 3.42Å; C302-I306 WeakPolarHBondContact O-CD1 3.15Å; C302-I306 VanDerWaalsContact O-CG1 3.25Å; C302-I306 WeakPolarHBondContact O-CG1 3.36Å; C302-I306 PolarHBondContact O-N 3.41Å; C302-R319 HydrophobicContact CB-CB 3.82Å; C302-R319 HydrophobicContact CB-CG 4.14Å
303D98.2Very high96.8Very high63 Ų6356 Ų5634%0.33729%0.29SS..Hα-helixtrans-65.8-42.5177.4-70.6-22.2000111.7L299 N300 D301 A305 I306 S307 R319L299-D303 PolarHBondContact O-N 3.21Å; N300-D303 PolarHBondContact O-N 3.04Å; D301-D303 VanDerWaalsContact C-N 3.33Å; D301-D303 PolarHBondContact O-N 3.19Å; D303-A305 VanDerWaalsContact C-N 3.34Å; D303-A305 PolarHBondContact O-N 3.41Å; D303-I306 PolarHBondContact O-N 3.04Å; D303-S307 WeakPolarHBondContact O-CB 3.49Å; D303-S307 PolarHBondContact O-N 3.11Å; D303-R319 VanDerWaalsContact OD1-CD 3.24Å; D303-R319 WeakPolarHBondContact OD1-CD 3.38Å; D303-R319 IonicContact OD1-CZ 2.66Å; D303-R319 IonicContact OD1-NE 2.97Å; D303-R319 IonicContact OD1-NH1 2.99Å; D303-R319 PolarHBondContact OD1-NH1 3.24Å
304N98.2Very high96.8Very high48 Ų4857 Ų5726%0.25729%0.289SS..Hα-helixtrans-58.9-45.5172.1-75.6-60.8000111.3Y282 N300 D301 I306 S307 L308Y282-N304 HydrophobicContact CD1-CB 4.06Å; Y282-N304 HydrophobicContact CD2-CB 3.77Å; Y282-N304 HydrophobicContact CE1-CB 4.17Å; Y282-N304 HydrophobicContact CE2-CB 3.88Å; Y282-N304 HydrophobicContact CG-CB 3.89Å; N300-N304 PolarHBondContact ND2-ND2 3.04Å; N300-N304 PolarHBondContact O-N 3.39Å; N300-N304 PolarHBondContact O-ND2 3.01Å; D301-N304 PolarHBondContact O-N 2.98Å; N304-I306 PolarHBondContact O-N 3.43Å; N304-S307 PolarHBondContact O-N 3.24Å; N304-S307 PolarHBondContact O-OG 3.49Å; N304-L308 WeakPolarHBondContact O-CG 3.44Å; N304-L308 PolarHBondContact O-N 3.26Å
305A98.4Very high96.7Very high0 Ų052.3 Ų52.30%027%0.271CS..Hα-helixtrans-61.3-43.6177.700000112.7A279 C283 D301 C302 D303 L308 E309 Y312 A315A279-A305 WeakPolarHBondContact O-CB 3.26Å; C283-A305 HydrophobicContact CB-CB 4.31Å; D301-A305 WeakPolarHBondContact O-CB 3.44Å; D301-A305 PolarHBondContact O-N 2.99Å; C302-A305 PolarHBondContact O-N 3.44Å; D303-A305 VanDerWaalsContact C-N 3.34Å; D303-A305 PolarHBondContact O-N 3.41Å; A305-L308 PolarHBondContact O-N 3.07Å; A305-E309 PolarHBondContact O-N 3.3Å; A305-Y312 HydrophobicContact CB-CD1 4.21Å; A305-A315 HydrophobicContact CB-CB 3.76Å
306I97.1Very high96.8Very high17 Ų1752.9 Ų52.99%0.08727%0.272CS..Hα-helixtrans-71-33.3179.4-66.5163.3000111.4C302 D303 N304 L308 E309 P310 A315 R316 R319C302-I306 WeakPolarHBondContact O-CB 3.42Å; C302-I306 WeakPolarHBondContact O-CD1 3.15Å; C302-I306 VanDerWaalsContact O-CG1 3.25Å; C302-I306 WeakPolarHBondContact O-CG1 3.36Å; C302-I306 PolarHBondContact O-N 3.41Å; D303-I306 PolarHBondContact O-N 3.04Å; N304-I306 PolarHBondContact O-N 3.43Å; I306-L308 VanDerWaalsContact C-N 3.28Å; I306-L308 PolarHBondContact O-N 3.07Å; I306-E309 CarbonylContact O-C 3.51Å; I306-E309 PolarHBondContact O-N 3.23Å; I306-P310 WeakPolarHBondContact O-CA 3.45Å; I306-P310 VanDerWaalsContact O-N 3.12Å; I306-A315 HydrophobicContact CD1-CB 4.4Å; I306-A315 HydrophobicContact CG1-CB 3.87Å; I306-R316 HydrophobicContact CD1-CG 3.69Å; I306-R316 HydrophobicContact CG1-CG 4.08Å; I306-R319 VanDerWaalsContact CD1-CZ 3.5Å
307S97.2Very high96.8Very high86 Ų8648.8 Ų48.860%0.60125%0.254SS*.Hα-helixtrans-65-33175.174.80000112.8D303 N304D303-S307 WeakPolarHBondContact O-CB 3.49Å; D303-S307 PolarHBondContact O-N 3.11Å; N304-S307 PolarHBondContact O-N 3.24Å; N304-S307 PolarHBondContact O-OG 3.49Å
308L96.1Very high96.8Very high58 Ų5846.6 Ų46.630%0.30424%0.242SC..Hα-helixtrans-81.3-39.2177.5-66.8173.3000111.4D275 N278 A279 Y282 N304 A305 I306D275-L308 HydrophobicContact CB-CD2 4.03Å; N278-L308 HydrophobicContact CB-CD1 3.76Å; A279-L308 HydrophobicContact CB-CB 3.95Å; A279-L308 HydrophobicContact CB-CD1 4.42Å; Y282-L308 HydrophobicContact CD2-CD1 3.91Å; Y282-L308 HydrophobicContact CE2-CD1 3.9Å; N304-L308 WeakPolarHBondContact O-CG 3.44Å; N304-L308 PolarHBondContact O-N 3.26Å; A305-L308 PolarHBondContact O-N 3.07Å; I306-L308 VanDerWaalsContact C-N 3.28Å; I306-L308 PolarHBondContact O-N 3.07Å
309E93.9Very high96.7Very high69 Ų6948 Ų4832%0.32225%0.247SC..  trans-134.892.6178-171.6179.4171.900110.7A279 A305 I306 N311 Y312A279-E309 HydrophobicContact CB-CB 4.09Å; A305-E309 PolarHBondContact O-N 3.3Å; I306-E309 CarbonylContact O-C 3.51Å; I306-E309 PolarHBondContact O-N 3.23Å; E309-N311 PolarHBondContact O-N 3.15Å; E309-Y312 WeakPolarHBondContact O-CB 3.3Å; E309-Y312 PolarHBondContact O-N 3.44Å
310P92.3Very high96.7Very high77 Ų7747.6 Ų47.650%0.525%0.245SC..THydrogen-bonded Turntrans-58.1-26.6-172.1-30.636.9000116.1I306 R316I306-P310 WeakPolarHBondContact O-CA 3.45Å; I306-P310 VanDerWaalsContact O-N 3.12Å; P310-R316 PolarHBondContact O-NE 3.28Å; P310-R316 VanDerWaalsContact O-NE 3.17Å; P310-R316 PolarHBondContact O-NH2 2.87Å
311N90.2Very high96.7Very high119 Ų11947.5 Ų47.564%0.63624%0.24SC*.THydrogen-bonded Turntrans-97.814.3179.9-67.1-27.2000112.8E309 L313E309-N311 PolarHBondContact O-N 3.15Å; N311-L313 VanDerWaalsContact C-N 3.34Å; N311-L313 PolarHBondContact O-N 3.01Å
312Y94.7Very high96.6Very high27 Ų2747.4 Ų47.411%0.10624%0.239CC..  trans-73.787.7-177.1-166.8-162.7000112A279 K280 C283 A305 E309 K314 A315 R316A279-Y312 HydrophobicContact CB-CD1 4.23Å; A279-Y312 HydrophobicContact CB-CE1 4.4Å; A279-Y312 WeakPolarHBondContact O-CE1 3.36Å; K280-Y312 HydrophobicContact CG-CE1 4.38Å; C283-Y312 HydrophobicContact CB-CD1 4.23Å; C283-Y312 HydrophobicContact CB-CE1 3.38Å; A305-Y312 HydrophobicContact CB-CD1 4.21Å; E309-Y312 WeakPolarHBondContact O-CB 3.3Å; E309-Y312 PolarHBondContact O-N 3.44Å; Y312-K314 VanDerWaalsContact C-N 3.27Å; Y312-K314 HydrophobicContact CD2-CB 4.38Å; Y312-K314 HydrophobicContact CE2-CB 3.94Å; Y312-K314 HydrophobicContact CE2-CD 4.4Å; Y312-K314 HydrophobicContact CE2-CG 4.34Å; Y312-K314 PolarHBondContact O-N 3.12Å; Y312-A315 HydrophobicContact CD1-CB 3.82Å; Y312-A315 HydrophobicContact CE1-CB 4.44Å; Y312-A315 HydrophobicContact CG-CB 4.2Å; Y312-A315 WeakPolarHBondContact O-CB 3.27Å; Y312-A315 PolarHBondContact O-N 2.96Å; Y312-R316 PolarHBondContact O-N 3.09Å
313L96.1Very high96.6Very high47 Ų4748.9 Ų48.925%0.24625%0.245CC..Hα-helixtrans-54.2-40.1-172-176.764.6000113.3N311 A315 R316 I317 V339 L342 D343N311-L313 VanDerWaalsContact C-N 3.34Å; N311-L313 PolarHBondContact O-N 3.01Å; L313-A315 VanDerWaalsContact C-N 3.33Å; L313-A315 PolarHBondContact O-N 3.29Å; L313-R316 PolarHBondContact O-N 3.33Å; L313-I317 HydrophobicContact CD1-CD1 4.34Å; L313-I317 HydrophobicContact CD1-CG1 4.49Å; L313-I317 HydrophobicContact CD2-CD1 4.49Å; L313-I317 HydrophobicContact CG-CD1 3.93Å; L313-I317 HydrophobicContact CG-CG1 4.49Å; L313-I317 WeakPolarHBondContact O-CG1 3.34Å; L313-I317 PolarHBondContact O-N 3.05Å; L313-V339 HydrophobicContact CD1-CG1 4Å; L313-L342 HydrophobicContact CD1-CB 4.03Å; L313-L342 HydrophobicContact CD1-CD1 4.43Å; L313-D343 HydrophobicContact CD1-CB 4.17Å; L313-D343 HydrophobicContact CD2-CB 3.54Å
314K96.8Very high96.4Very high142 Ų14247.8 Ų47.862%0.61724%0.243SC*.Hα-helixtrans-62.3-39179.6-68.3-173178.8-176.90112.4Y312 R318Y312-K314 VanDerWaalsContact C-N 3.27Å; Y312-K314 HydrophobicContact CD2-CB 4.38Å; Y312-K314 HydrophobicContact CE2-CB 3.94Å; Y312-K314 HydrophobicContact CE2-CD 4.4Å; Y312-K314 HydrophobicContact CE2-CG 4.34Å; Y312-K314 PolarHBondContact O-N 3.12Å; K314-R318 WeakPolarHBondContact O-CB 3.48Å; K314-R318 PolarHBondContact O-N 3.3Å; K314-R318 VanDerWaalsContact O-N 3.09Å
315A97.7Very high96.2Very high0 Ų047.9 Ų47.90%025%0.247CC..Hα-helixtrans-67.6-41.9176.700000111.3C283 A305 I306 Y312 L313 R318 R319C283-A315 HydrophobicContact CB-CB 4.29Å; A305-A315 HydrophobicContact CB-CB 3.76Å; I306-A315 HydrophobicContact CD1-CB 4.4Å; I306-A315 HydrophobicContact CG1-CB 3.87Å; Y312-A315 HydrophobicContact CD1-CB 3.82Å; Y312-A315 HydrophobicContact CE1-CB 4.44Å; Y312-A315 HydrophobicContact CG-CB 4.2Å; Y312-A315 WeakPolarHBondContact O-CB 3.27Å; Y312-A315 PolarHBondContact O-N 2.96Å; L313-A315 VanDerWaalsContact C-N 3.33Å; L313-A315 PolarHBondContact O-N 3.29Å; A315-R318 PolarHBondContact O-N 3.36Å; A315-R319 WeakPolarHBondContact O-CB 3.49Å; A315-R319 PolarHBondContact O-N 3.37Å
316R97.4Very high96Very high45 Ų4550.2 Ų50.217%0.1726%0.259CS..Hα-helixtrans-62.9-44.9175.6-68.9-177.2175.4-81.6-0.2112.9I306 P310 Y312 L313 R318 R319 A320 V339I306-R316 HydrophobicContact CD1-CG 3.69Å; I306-R316 HydrophobicContact CG1-CG 4.08Å; P310-R316 PolarHBondContact O-NE 3.28Å; P310-R316 VanDerWaalsContact O-NE 3.17Å; P310-R316 PolarHBondContact O-NH2 2.87Å; Y312-R316 PolarHBondContact O-N 3.09Å; L313-R316 PolarHBondContact O-N 3.33Å; R316-R318 VanDerWaalsContact C-N 3.27Å; R316-R318 PolarHBondContact O-N 3.29Å; R316-R319 PolarHBondContact O-N 3.42Å; R316-A320 PolarHBondContact O-N 2.75Å; R316-V339 HydrophobicContact CB-CG2 3.72Å
317I97.9Very high95.7Very high34 Ų3455.9 Ų55.917%0.17429%0.285CS..Hα-helixtrans-57.6-43.9174.6-73.3169.3000110.5L313 A320 K321 W336 V339L313-I317 HydrophobicContact CD1-CD1 4.34Å; L313-I317 HydrophobicContact CD1-CG1 4.49Å; L313-I317 HydrophobicContact CD2-CD1 4.49Å; L313-I317 HydrophobicContact CG-CD1 3.93Å; L313-I317 HydrophobicContact CG-CG1 4.49Å; L313-I317 WeakPolarHBondContact O-CG1 3.34Å; L313-I317 PolarHBondContact O-N 3.05Å; I317-A320 PolarHBondContact O-N 2.96Å; I317-K321 HydrophobicContact CG2-CD 4.44Å; I317-K321 WeakPolarHBondContact O-CG 3.12Å; I317-K321 PolarHBondContact O-N 2.91Å; I317-K321 VanDerWaalsContact O-N 3.08Å; I317-W336 HydrophobicContact CG1-CZ3 4.21Å; I317-W336 HydrophobicContact CG2-CH2 3.87Å; I317-W336 HydrophobicContact CG2-CZ3 4.38Å; I317-V339 HydrophobicContact CD1-CG1 4.27Å; I317-V339 HydrophobicContact CG1-CG1 3.63Å; I317-V339 HydrophobicContact CG1-CG2 4.05Å
318R97.5Very high95.5Very high42 Ų4254.6 Ų54.616%0.15827%0.269CS..Hα-helixtrans-67.3-41.1179.6-168.4178.7-57-66.62112.1C283 A286 C287 K314 A315 R316 A320 K321 C322C283-R318 PolarHBondContact O-NE 3.23Å; A286-R318 VanDerWaalsContact C-CD 3.47Å; A286-R318 HydrophobicContact CB-CG 4.44Å; C287-R318 VanDerWaalsContact CA-NH1 3.32Å; C287-R318 VanDerWaalsContact CB-NH1 3.32Å; C287-R318 VanDerWaalsContact CB-NH2 3.33Å; C287-R318 VanDerWaalsContact SG-CZ 3.54Å; C287-R318 PolarHBondContact SG-NH1 2.91Å; C287-R318 PolarHBondContact SG-NH2 3.21Å; C287-R318 VanDerWaalsContact SG-NH2 3.38Å; K314-R318 WeakPolarHBondContact O-CB 3.48Å; K314-R318 PolarHBondContact O-N 3.3Å; K314-R318 VanDerWaalsContact O-N 3.09Å; A315-R318 PolarHBondContact O-N 3.36Å; R316-R318 VanDerWaalsContact C-N 3.27Å; R316-R318 PolarHBondContact O-N 3.29Å; R318-A320 PolarHBondContact O-N 3.37Å; R318-K321 WeakPolarHBondContact O-CB 3.34Å; R318-K321 PolarHBondContact O-N 3.23Å; R318-C322 PolarHBondContact O-N 2.91Å; R318-C322 PolarHBondContact O-SG 2.96Å
319R98.1Very high95.3Very high31 Ų3153.9 Ų53.912%0.11726%0.263CS..Hα-helixtrans-58-46.8173.7-165.2166.566.9168.76111.6L299 C302 D303 I306 A315 R316 K321 C322 Y323 E335L299-R319 HydrophobicContact CD2-CG 3.64Å; C302-R319 HydrophobicContact CB-CB 3.82Å; C302-R319 HydrophobicContact CB-CG 4.14Å; D303-R319 VanDerWaalsContact OD1-CD 3.24Å; D303-R319 WeakPolarHBondContact OD1-CD 3.38Å; D303-R319 IonicContact OD1-CZ 2.66Å; D303-R319 IonicContact OD1-NE 2.97Å; D303-R319 IonicContact OD1-NH1 2.99Å; D303-R319 PolarHBondContact OD1-NH1 3.24Å; I306-R319 VanDerWaalsContact CD1-CZ 3.5Å; A315-R319 WeakPolarHBondContact O-CB 3.49Å; A315-R319 PolarHBondContact O-N 3.37Å; R316-R319 PolarHBondContact O-N 3.42Å; R319-K321 VanDerWaalsContact C-N 3.32Å; R319-K321 PolarHBondContact O-N 3.33Å; R319-C322 WeakPolarHBondContact O-CB 3.2Å; R319-C322 PolarHBondContact O-N 2.84Å; R319-C322 VanDerWaalsContact O-N 3.12Å; R319-Y323 HydrophobicContact CG-CD2 4.23Å; R319-Y323 HydrophobicContact CG-CE2 3.77Å; R319-Y323 WeakPolarHBondContact O-CD2 3.42Å; R319-Y323 PolarHBondContact O-N 3.36Å; R319-E335 IonicContact CZ-OE1 2.9Å; R319-E335 IonicContact CZ-OE2 3.91Å; R319-E335 VanDerWaalsContact CZ-OE2 3.23Å; R319-E335 IonicContact NE-OE1 2.67Å; R319-E335 IonicContact NE-OE2 3.37Å; R319-E335 PolarHBondContact NE-OE2 3.19Å; R319-E335 IonicContact NH2-OE1 2.7Å; R319-E335 PolarHBondContact NH2-OE1 3.01Å; R319-E335 IonicContact NH2-OE2 3.54Å; R319-E335 PolarHBondContact NH2-OE2 3.41Å
320A97.8Very high95.4Very high0 Ų055 Ų550%027%0.268CS..Hα-helixtrans-59.5-40.9176.500000112.5R316 I317 R318 Y323 S324 E335 W336R316-A320 PolarHBondContact O-N 2.75Å; I317-A320 PolarHBondContact O-N 2.96Å; R318-A320 PolarHBondContact O-N 3.37Å; A320-Y323 PolarHBondContact O-N 2.78Å; A320-S324 PolarHBondContact O-N 3.23Å; A320-S324 VanDerWaalsContact O-N 3.1Å; A320-S324 PolarHBondContact O-OG 2.89Å; A320-E335 HydrophobicContact CB-CB 3.68Å; A320-W336 HydrophobicContact CB-CD2 3.76Å; A320-W336 HydrophobicContact CB-CE3 4.47Å; A320-W336 HydrophobicContact CB-CG 3.89Å; A320-W336 HydrophobicContact CB-CZ2 4.1Å
321K97.5Very high95.6Very high90 Ų9055.3 Ų55.339%0.39126%0.262SS..Hα-helixtrans-64.2-41.8173.8-71179.1178.8-173.70112.2F290 I317 R318 R319 S324 S325 W336F290-K321 HydrophobicContact CE2-CB 3.94Å; F290-K321 HydrophobicContact CZ-CB 4.28Å; I317-K321 HydrophobicContact CG2-CD 4.44Å; I317-K321 WeakPolarHBondContact O-CG 3.12Å; I317-K321 PolarHBondContact O-N 2.91Å; I317-K321 VanDerWaalsContact O-N 3.08Å; R318-K321 WeakPolarHBondContact O-CB 3.34Å; R318-K321 PolarHBondContact O-N 3.23Å; R319-K321 VanDerWaalsContact C-N 3.32Å; R319-K321 PolarHBondContact O-N 3.33Å; K321-S324 PolarHBondContact O-N 3.48Å; K321-S325 PolarHBondContact O-N 3.15Å; K321-S325 PolarHBondContact O-OG 2.68Å; K321-W336 HydrophobicContact CG-CZ2 3.92Å
322C97.8Very high95.9Very high0 Ų049.7 Ų49.70%023%0.232CC..Hα-helixtrans-61.4-44.6176.8-62.10000111.5L299 R318 R319 S324 S325 L326L299-C322 HydrophobicContact CD2-CB 3.48Å; L299-C322 VanDerWaalsContact CD2-CB 3.48Å; L299-C322 HydrophobicContact CG-CB 3.78Å; R318-C322 PolarHBondContact O-N 2.91Å; R318-C322 PolarHBondContact O-SG 2.96Å; R319-C322 WeakPolarHBondContact O-CB 3.2Å; R319-C322 PolarHBondContact O-N 2.84Å; R319-C322 VanDerWaalsContact O-N 3.12Å; C322-S324 VanDerWaalsContact C-N 3.32Å; C322-S324 PolarHBondContact O-N 2.97Å; C322-S325 PolarHBondContact O-N 3.3Å; C322-S325 VanDerWaalsContact O-N 3.13Å; C322-L326 PolarHBondContact O-N 2.95Å
323Y97.9Very high96Very high32 Ų3249.3 Ų49.313%0.12523%0.232CC..Hα-helixtrans-61.9-38.1175-72.5-47.8000112.9L299 R319 A320 S325 L326 E327 E328 K331 E335L299-Y323 HydrophobicContact CD1-CD1 3.99Å; L299-Y323 HydrophobicContact CD1-CE1 3.64Å; L299-Y323 HydrophobicContact CD2-CD1 4.02Å; L299-Y323 HydrophobicContact CD2-CD2 4.37Å; L299-Y323 HydrophobicContact CD2-CE1 3.81Å; L299-Y323 HydrophobicContact CD2-CE2 4.2Å; L299-Y323 HydrophobicContact CD2-CG 4.29Å; L299-Y323 HydrophobicContact CG-CE1 4.42Å; R319-Y323 HydrophobicContact CG-CD2 4.23Å; R319-Y323 HydrophobicContact CG-CE2 3.77Å; R319-Y323 WeakPolarHBondContact O-CD2 3.42Å; R319-Y323 PolarHBondContact O-N 3.36Å; A320-Y323 PolarHBondContact O-N 2.78Å; Y323-S325 VanDerWaalsContact C-N 3.33Å; Y323-L326 PolarHBondContact O-N 2.95Å; Y323-E327 PolarHBondContact O-N 2.68Å; Y323-E328 HydrophobicContact CD1-CB 4.12Å; Y323-E328 WeakPolarHBondContact CD1-OE2 3.38Å; Y323-E328 WeakPolarHBondContact CE1-OE2 3.45Å; Y323-E328 PolarHBondContact O-N 3.47Å; Y323-K331 HydrophobicContact CD1-CB 3.92Å; Y323-K331 HydrophobicContact CD1-CD 4.02Å; Y323-K331 HydrophobicContact CD2-CB 3.85Å; Y323-K331 HydrophobicContact CE1-CB 4.11Å; Y323-K331 HydrophobicContact CE1-CD 3.56Å; Y323-K331 HydrophobicContact CE2-CB 4.03Å; Y323-K331 HydrophobicContact CG-CB 3.8Å; Y323-E335 HydrophobicContact CD2-CB 4.48Å; Y323-E335 HydrophobicContact CD2-CG 3.67Å; Y323-E335 HydrophobicContact CE2-CG 3.62Å
324S93.9Very high96Very high40 Ų4053.4 Ų53.428%0.2825%0.25SC..Hα-helixtrans-63.8-38.3173.5-60.20000112.4A320 K321 C322 E327 A332A320-S324 PolarHBondContact O-N 3.23Å; A320-S324 VanDerWaalsContact O-N 3.1Å; A320-S324 PolarHBondContact O-OG 2.89Å; K321-S324 PolarHBondContact O-N 3.48Å; C322-S324 VanDerWaalsContact C-N 3.32Å; C322-S324 PolarHBondContact O-N 2.97Å; S324-E327 PolarHBondContact O-N 3.42Å; S324-A332 WeakPolarHBondContact OG-CB 3.24Å
325S94.6Very high96Very high49 Ų4947.8 Ų47.834%0.34323%0.226SC..Hα-helixtrans-72.1-28.3176.9-67.30000113.7F290 K321 C322 Y323 E327F290-S325 WeakPolarHBondContact CE2-OG 3.4Å; K321-S325 PolarHBondContact O-N 3.15Å; K321-S325 PolarHBondContact O-OG 2.68Å; C322-S325 PolarHBondContact O-N 3.3Å; C322-S325 VanDerWaalsContact O-N 3.13Å; Y323-S325 VanDerWaalsContact C-N 3.33Å; S325-E327 VanDerWaalsContact C-N 3.26Å
326L94.1Very high96Very high50 Ų5048.3 Ų48.326%0.26223%0.228SC..THydrogen-bonded Turntrans-85.23.7173.4-72.8167000113.1F295 E296 L299 C322 Y323 E328F295-L326 HydrophobicContact CB-CD1 3.84Å; F295-L326 HydrophobicContact CB-CD2 3.85Å; F295-L326 HydrophobicContact CB-CG 3.65Å; F295-L326 HydrophobicContact CD2-CD2 4.21Å; F295-L326 HydrophobicContact CD2-CG 4.39Å; F295-L326 HydrophobicContact CG-CD2 4.48Å; F295-L326 HydrophobicContact CG-CG 4.32Å; E296-L326 HydrophobicContact CG-CD2 4.47Å; L299-L326 HydrophobicContact CD1-CD1 3.44Å; L299-L326 VanDerWaalsContact CD1-CD1 3.44Å; L299-L326 HydrophobicContact CG-CD1 4.29Å; C322-L326 PolarHBondContact O-N 2.95Å; Y323-L326 PolarHBondContact O-N 2.95Å; L326-E328 HydrophobicContact CB-CG 4.19Å; L326-E328 PolarHBondContact O-N 2.72Å; L326-E328 VanDerWaalsContact O-N 3.1Å
327E91.3Very high96Very high136 Ų13648.3 Ų48.364%0.63623%0.233SC*.THydrogen-bonded Turntrans5918.2-176.4-51-172.7171.500114.3Y323 S324 S325 Y329Y323-E327 PolarHBondContact O-N 2.68Å; S324-E327 PolarHBondContact O-N 3.42Å; S325-E327 VanDerWaalsContact C-N 3.26Å; E327-Y329 HydrophobicContact CB-CD2 4.46Å; E327-Y329 HydrophobicContact CB-CE1 4.41Å; E327-Y329 HydrophobicContact CB-CE2 3.74Å; E327-Y329 HydrophobicContact CG-CE2 4.37Å; E327-Y329 WeakPolarHBondContact CG-OH 3.49Å; E327-Y329 WeakPolarHBondContact O-CD2 3.39Å; E327-Y329 PolarHBondContact O-N 2.95Å
328E92.9Very high95.9Very high58 Ų5848 Ų4827%0.27124%0.236SC..  trans-82.163.2171.8-62.3-164.8143.600109.7Y323 L326 E330 K331 A332Y323-E328 HydrophobicContact CD1-CB 4.12Å; Y323-E328 WeakPolarHBondContact CD1-OE2 3.38Å; Y323-E328 WeakPolarHBondContact CE1-OE2 3.45Å; Y323-E328 PolarHBondContact O-N 3.47Å; L326-E328 HydrophobicContact CB-CG 4.19Å; L326-E328 PolarHBondContact O-N 2.72Å; L326-E328 VanDerWaalsContact O-N 3.1Å; E328-E330 VanDerWaalsContact C-N 3.3Å; E328-E330 PolarHBondContact O-N 3.14Å; E328-K331 HydrophobicContact CB-CB 4.39Å; E328-K331 HydrophobicContact CB-CD 4.49Å; E328-K331 PolarHBondContact O-N 3.43Å; E328-K331 VanDerWaalsContact O-N 3.12Å; E328-K331 IonicContact OE1-NZ 2.9Å; E328-K331 PolarHBondContact OE1-NZ 2.86Å; E328-K331 VanDerWaalsContact OE2-CD 3.23Å; E328-K331 WeakPolarHBondContact OE2-CD 3.37Å; E328-K331 VanDerWaalsContact OE2-CE 3.31Å; E328-K331 WeakPolarHBondContact OE2-CE 3.49Å; E328-K331 IonicContact OE2-NZ 2.64Å; E328-K331 PolarHBondContact OE2-NZ 2.92Å; E328-A332 PolarHBondContact O-N 3.3Å
329Y91.9Very high95.9Very high44 Ų4446 Ų4617%0.17323%0.228CC..Hα-helixtrans-63.4-32.7-167.8-56.9-64000113.6E327 A332 V333 A358 S362E327-Y329 HydrophobicContact CB-CD2 4.46Å; E327-Y329 HydrophobicContact CB-CE1 4.41Å; E327-Y329 HydrophobicContact CB-CE2 3.74Å; E327-Y329 HydrophobicContact CG-CE2 4.37Å; E327-Y329 WeakPolarHBondContact CG-OH 3.49Å; E327-Y329 WeakPolarHBondContact O-CD2 3.39Å; E327-Y329 PolarHBondContact O-N 2.95Å; Y329-A332 PolarHBondContact O-N 3.22Å; Y329-V333 WeakPolarHBondContact O-CG2 3.38Å; Y329-V333 PolarHBondContact O-N 3.45Å; Y329-A358 HydrophobicContact CD1-CB 3.56Å; Y329-A358 HydrophobicContact CE1-CB 3.62Å; Y329-A358 HydrophobicContact CG-CB 4.22Å; Y329-S362 VanDerWaalsContact CD2-CB 3.48Å; Y329-S362 WeakPolarHBondContact CD2-OG 3.18Å
330E94.3Very high95.8Very high91 Ų9146 Ų4643%0.42523%0.232SC..Hα-helixtrans-57.5-52172.9-71.578.5-175.200110.6E328 A332 V333 E334 L359 Q363E328-E330 VanDerWaalsContact C-N 3.3Å; E328-E330 PolarHBondContact O-N 3.14Å; E330-A332 VanDerWaalsContact C-N 3.33Å; E330-A332 PolarHBondContact O-N 2.93Å; E330-V333 PolarHBondContact O-N 3.15Å; E330-E334 WeakPolarHBondContact O-CG 3.39Å; E330-E334 PolarHBondContact O-N 2.85Å; E330-L359 HydrophobicContact CG-CD1 3.68Å; E330-L359 WeakPolarHBondContact OE1-CD1 3.34Å; E330-Q363 PolarHBondContact OE1-NE2 3.28Å; E330-Q363 VanDerWaalsContact OE1-NE2 3.17Å
331K96.8Very high95.7Very high85 Ų8554.3 Ų54.337%0.3727%0.268SS..Hα-helixtrans-65.6-37178.3-60.4-169.8-158.3156.10111.7Y323 E328 V333 E334 E335Y323-K331 HydrophobicContact CD1-CB 3.92Å; Y323-K331 HydrophobicContact CD1-CD 4.02Å; Y323-K331 HydrophobicContact CD2-CB 3.85Å; Y323-K331 HydrophobicContact CE1-CB 4.11Å; Y323-K331 HydrophobicContact CE1-CD 3.56Å; Y323-K331 HydrophobicContact CE2-CB 4.03Å; Y323-K331 HydrophobicContact CG-CB 3.8Å; E328-K331 HydrophobicContact CB-CB 4.39Å; E328-K331 HydrophobicContact CB-CD 4.49Å; E328-K331 PolarHBondContact O-N 3.43Å; E328-K331 VanDerWaalsContact O-N 3.12Å; E328-K331 IonicContact OE1-NZ 2.9Å; E328-K331 PolarHBondContact OE1-NZ 2.86Å; E328-K331 VanDerWaalsContact OE2-CD 3.23Å; E328-K331 WeakPolarHBondContact OE2-CD 3.37Å; E328-K331 VanDerWaalsContact OE2-CE 3.31Å; E328-K331 WeakPolarHBondContact OE2-CE 3.49Å; E328-K331 IonicContact OE2-NZ 2.64Å; E328-K331 PolarHBondContact OE2-NZ 2.92Å; K331-V333 PolarHBondContact O-N 3.29Å; K331-E334 PolarHBondContact O-N 3.39Å; K331-E335 WeakPolarHBondContact O-CB 3.33Å; K331-E335 WeakPolarHBondContact O-CG 3.49Å; K331-E335 PolarHBondContact O-N 3.18Å
332A96.5Very high95.5Very high0 Ų054.1 Ų54.10%027%0.271CS..Hα-helixtrans-60.7-43.6174.800000112S324 E328 Y329 E330 E335 W336 A355S324-A332 WeakPolarHBondContact OG-CB 3.24Å; E328-A332 PolarHBondContact O-N 3.3Å; Y329-A332 PolarHBondContact O-N 3.22Å; E330-A332 VanDerWaalsContact C-N 3.33Å; E330-A332 PolarHBondContact O-N 2.93Å; A332-E335 PolarHBondContact O-N 3.48Å; A332-W336 WeakPolarHBondContact O-CB 3.42Å; A332-W336 PolarHBondContact O-N 3.31Å; A332-A355 HydrophobicContact CB-CB 4.38Å
333V96.9Very high95.3Very high20 Ų2056.9 Ų56.912%0.12129%0.285CS..Hα-helixtrans-65-42.1176.9170.30000111.2Y329 E330 K331 T337 L352 A355 K356 L359Y329-V333 WeakPolarHBondContact O-CG2 3.38Å; Y329-V333 PolarHBondContact O-N 3.45Å; E330-V333 PolarHBondContact O-N 3.15Å; K331-V333 PolarHBondContact O-N 3.29Å; V333-T337 VanDerWaalsContact O-CB 3.25Å; V333-T337 WeakPolarHBondContact O-CB 3.28Å; V333-T337 PolarHBondContact O-N 3.42Å; V333-T337 PolarHBondContact O-OG1 2.93Å; V333-L352 HydrophobicContact CG1-CD1 4.17Å; V333-A355 VanDerWaalsContact CG2-C 3.46Å; V333-A355 HydrophobicContact CG2-CB 3.78Å; V333-A355 WeakPolarHBondContact CG2-O 3.23Å; V333-K356 HydrophobicContact CG1-CG 3.93Å; V333-K356 HydrophobicContact CG2-CB 4.48Å; V333-K356 HydrophobicContact CG2-CG 3.92Å; V333-L359 HydrophobicContact CB-CD2 4.46Å; V333-L359 HydrophobicContact CG2-CB 4.24Å; V333-L359 HydrophobicContact CG2-CD2 3.97Å
334E97.2Very high95.2Very high132 Ų13257.2 Ų57.262%0.61730%0.298SS*.Hα-helixtrans-59.1-49.2175.3-72178.5-174.700111.5E330 K331 T337 A338E330-E334 WeakPolarHBondContact O-CG 3.39Å; E330-E334 PolarHBondContact O-N 2.85Å; K331-E334 PolarHBondContact O-N 3.39Å; E334-T337 WeakPolarHBondContact O-CB 3.16Å; E334-T337 PolarHBondContact O-N 2.88Å; E334-A338 PolarHBondContact O-N 3.16Å
335E96.7Very high95.3Very high25 Ų2557 Ų5712%0.11730%0.297CS..Hα-helixtrans-64.6-46.5178.9-74.8-58.313000112.7R319 A320 Y323 K331 A332 T337 A338 V339R319-E335 IonicContact CZ-OE1 2.9Å; R319-E335 IonicContact CZ-OE2 3.91Å; R319-E335 VanDerWaalsContact CZ-OE2 3.23Å; R319-E335 IonicContact NE-OE1 2.67Å; R319-E335 IonicContact NE-OE2 3.37Å; R319-E335 PolarHBondContact NE-OE2 3.19Å; R319-E335 IonicContact NH2-OE1 2.7Å; R319-E335 PolarHBondContact NH2-OE1 3.01Å; R319-E335 IonicContact NH2-OE2 3.54Å; R319-E335 PolarHBondContact NH2-OE2 3.41Å; A320-E335 HydrophobicContact CB-CB 3.68Å; Y323-E335 HydrophobicContact CD2-CB 4.48Å; Y323-E335 HydrophobicContact CD2-CG 3.67Å; Y323-E335 HydrophobicContact CE2-CG 3.62Å; K331-E335 WeakPolarHBondContact O-CB 3.33Å; K331-E335 WeakPolarHBondContact O-CG 3.49Å; K331-E335 PolarHBondContact O-N 3.18Å; A332-E335 PolarHBondContact O-N 3.48Å; E335-T337 PolarHBondContact O-N 2.71Å; E335-A338 CarbonylContact O-C 3.58Å; E335-A338 WeakPolarHBondContact O-CB 3.43Å; E335-A338 PolarHBondContact O-N 3.36Å; E335-A338 VanDerWaalsContact O-N 3.09Å; E335-V339 WeakPolarHBondContact O-CG2 3.36Å; E335-V339 PolarHBondContact O-N 2.8Å
336W97.7Very high95.3Very high10 Ų1065.6 Ų65.64%0.03832%0.322CS..Hα-helixtrans-62.7-32.7175.7-81.6119.1000112.1I317 A320 K321 A332 V339 V340 N348 S351 L352I317-W336 HydrophobicContact CG1-CZ3 4.21Å; I317-W336 HydrophobicContact CG2-CH2 3.87Å; I317-W336 HydrophobicContact CG2-CZ3 4.38Å; A320-W336 HydrophobicContact CB-CD2 3.76Å; A320-W336 HydrophobicContact CB-CE3 4.47Å; A320-W336 HydrophobicContact CB-CG 3.89Å; A320-W336 HydrophobicContact CB-CZ2 4.1Å; K321-W336 HydrophobicContact CG-CZ2 3.92Å; A332-W336 WeakPolarHBondContact O-CB 3.42Å; A332-W336 PolarHBondContact O-N 3.31Å; W336-V339 HydrophobicContact CE3-CB 4.1Å; W336-V339 HydrophobicContact CE3-CG1 3.91Å; W336-V339 HydrophobicContact CE3-CG2 4.45Å; W336-V339 HydrophobicContact CZ3-CG1 3.94Å; W336-V339 PolarHBondContact O-N 3.28Å; W336-V340 WeakPolarHBondContact O-CB 3.37Å; W336-V340 VanDerWaalsContact O-CG2 3.3Å; W336-V340 WeakPolarHBondContact O-CG2 3.4Å; W336-V340 PolarHBondContact O-N 2.72Å; W336-N348 HydrophobicContact CZ3-CB 4.46Å; W336-S351 VanDerWaalsContact CH2-CB 3.41Å; W336-S351 VanDerWaalsContact CZ2-CB 3.46Å; W336-L352 HydrophobicContact CB-CB 3.93Å; W336-L352 HydrophobicContact CB-CD1 3.67Å; W336-L352 HydrophobicContact CB-CG 4.38Å
337T97.3Very high95.4Very high46 Ų4670 Ų7028%0.28234%0.341SS..Hα-helixtrans-65.5-41.9173.7-60.90000110.6V333 E334 E335 K341 L352V333-T337 VanDerWaalsContact O-CB 3.25Å; V333-T337 WeakPolarHBondContact O-CB 3.28Å; V333-T337 PolarHBondContact O-N 3.42Å; V333-T337 PolarHBondContact O-OG1 2.93Å; E334-T337 WeakPolarHBondContact O-CB 3.16Å; E334-T337 PolarHBondContact O-N 2.88Å; E335-T337 PolarHBondContact O-N 2.71Å; T337-K341 WeakPolarHBondContact O-CG 3.33Å; T337-K341 PolarHBondContact O-N 2.8Å; T337-K341 VanDerWaalsContact O-N 3.15Å; T337-L352 WeakPolarHBondContact OG1-CD1 3.36Å
338A95.1Very high95.6Very high28 Ų2863.9 Ų63.923%0.23131%0.313CS..Hα-helixtrans-65.3-41.4173.700000112.4E334 E335 K341 L342E334-A338 PolarHBondContact O-N 3.16Å; E335-A338 CarbonylContact O-C 3.58Å; E335-A338 WeakPolarHBondContact O-CB 3.43Å; E335-A338 PolarHBondContact O-N 3.36Å; E335-A338 VanDerWaalsContact O-N 3.09Å; A338-K341 WeakPolarHBondContact O-CB 3.32Å; A338-K341 PolarHBondContact O-N 3.02Å; A338-L342 PolarHBondContact O-N 3.38Å
339V96.7Very high95.8Very high0 Ų066.9 Ų66.90%033%0.325CS..Hα-helixtrans-59.5-48.1174.8167.60000111L313 R316 I317 E335 W336 K341 L342 D343 N348L313-V339 HydrophobicContact CD1-CG1 4Å; R316-V339 HydrophobicContact CB-CG2 3.72Å; I317-V339 HydrophobicContact CD1-CG1 4.27Å; I317-V339 HydrophobicContact CG1-CG1 3.63Å; I317-V339 HydrophobicContact CG1-CG2 4.05Å; E335-V339 WeakPolarHBondContact O-CG2 3.36Å; E335-V339 PolarHBondContact O-N 2.8Å; W336-V339 HydrophobicContact CE3-CB 4.1Å; W336-V339 HydrophobicContact CE3-CG1 3.91Å; W336-V339 HydrophobicContact CE3-CG2 4.45Å; W336-V339 HydrophobicContact CZ3-CG1 3.94Å; W336-V339 PolarHBondContact O-N 3.28Å; V339-K341 VanDerWaalsContact C-N 3.26Å; V339-K341 PolarHBondContact O-N 3.45Å; V339-L342 PolarHBondContact O-N 2.93Å; V339-D343 PolarHBondContact O-N 3.4Å; V339-N348 HydrophobicContact CG1-CB 4.04Å
340V96.8Very high95.9Very high30 Ų3072.6 Ų72.618%0.18235%0.351CS..Hα-helixtrans-65.1-29.1179.9169.80000112.3W336 L342 D343 G344 N348 K349 L352W336-V340 WeakPolarHBondContact O-CB 3.37Å; W336-V340 VanDerWaalsContact O-CG2 3.3Å; W336-V340 WeakPolarHBondContact O-CG2 3.4Å; W336-V340 PolarHBondContact O-N 2.72Å; V340-L342 VanDerWaalsContact C-N 3.33Å; V340-D343 WeakPolarHBondContact CA-O 3.39Å; V340-D343 CarbonylContact O-C 3.2Å; V340-G344 WeakPolarHBondContact O-CA 3.41Å; V340-G344 PolarHBondContact O-N 3.12Å; V340-N348 HydrophobicContact CG2-CB 3.84Å; V340-K349 HydrophobicContact CG1-CG 3.98Å; V340-K349 HydrophobicContact CG2-CG 4.28Å; V340-L352 HydrophobicContact CB-CD2 4.35Å; V340-L352 HydrophobicContact CG2-CB 4.11Å; V340-L352 HydrophobicContact CG2-CD2 4.04Å
341K95.6Very high96Very high175 Ų17569.7 Ų69.776%0.76134%0.34SS*.Hα-helixtrans-67-33.1172.1-74.4174.3-179.5179.30112.5T337 A338 V339T337-K341 WeakPolarHBondContact O-CG 3.33Å; T337-K341 PolarHBondContact O-N 2.8Å; T337-K341 VanDerWaalsContact O-N 3.15Å; A338-K341 WeakPolarHBondContact O-CB 3.32Å; A338-K341 PolarHBondContact O-N 3.02Å; V339-K341 VanDerWaalsContact C-N 3.26Å; V339-K341 PolarHBondContact O-N 3.45Å
342L93.1Very high96Very high86 Ų8666.6 Ų66.645%0.4533%0.328SS..Hα-helixtrans-84.2-41.9178-67.5172.9000112.3L313 A338 V339 V340L313-L342 HydrophobicContact CD1-CB 4.03Å; L313-L342 HydrophobicContact CD1-CD1 4.43Å; A338-L342 PolarHBondContact O-N 3.38Å; V339-L342 PolarHBondContact O-N 2.93Å; V340-L342 VanDerWaalsContact C-N 3.33Å
343D94.8Very high95.9Very high58 Ų5871.9 Ų71.931%0.3135%0.352SS..  trans-138.5103.5176.6172.229.7000110.5L313 V339 V340 S345 N348L313-D343 HydrophobicContact CD1-CB 4.17Å; L313-D343 HydrophobicContact CD2-CB 3.54Å; V339-D343 PolarHBondContact O-N 3.4Å; V340-D343 WeakPolarHBondContact CA-O 3.39Å; V340-D343 CarbonylContact O-C 3.2Å; D343-S345 PolarHBondContact O-N 3.3Å; D343-S345 VanDerWaalsContact O-N 3.11Å; D343-S345 WeakPolarHBondContact OD1-CB 3.4Å; D343-S345 PolarHBondContact OD1-N 3.21Å; D343-S345 WeakPolarHBondContact OD2-CB 3.28Å; D343-S345 PolarHBondContact OD2-OG 3.45Å; D343-N348 PolarHBondContact O-ND2 3.44Å; D343-N348 PolarHBondContact OD2-ND2 2.98Å
344G94.5Very high95.6Very high38 Ų3873.8 Ų73.839%0.39237%0.37SS..  trans-7921.5-17900000115.2V340 K349V340-G344 WeakPolarHBondContact O-CA 3.41Å; V340-G344 PolarHBondContact O-N 3.12Å; G344-K349 WeakPolarHBondContact O-CD 3.32Å; G344-K349 WeakPolarHBondContact O-CE 3.38Å; G344-K349 PolarHBondContact O-NZ 3.35Å; G344-K349 VanDerWaalsContact O-NZ 3.16Å
345S96Very high95.4Very high37 Ų3767.6 Ų67.626%0.25934%0.342SS..  trans-54.1153.1178.566.20000112.9D343 E347 N348 K349D343-S345 PolarHBondContact O-N 3.3Å; D343-S345 VanDerWaalsContact O-N 3.11Å; D343-S345 WeakPolarHBondContact OD1-CB 3.4Å; D343-S345 PolarHBondContact OD1-N 3.21Å; D343-S345 WeakPolarHBondContact OD2-CB 3.28Å; D343-S345 PolarHBondContact OD2-OG 3.45Å; S345-E347 PolarHBondContact O-N 3.16Å; S345-N348 PolarHBondContact O-N 3.27Å; S345-N348 VanDerWaalsContact OG-CG 3.27Å; S345-N348 PolarHBondContact OG-N 3.26Å; S345-N348 PolarHBondContact OG-ND2 3.02Å; S345-N348 VanDerWaalsContact OG-ND2 3.14Å; S345-K349 PolarHBondContact O-N 3.26Å
346R95.9Very high95.3Very high229 Ų22971 Ų7186%0.86436%0.356SS*.Hα-helixtrans-57.8-35.8180-176.2179.1177.9-174.6-0.2111.8K350R346-K350 WeakPolarHBondContact O-CB 3.41Å; R346-K350 PolarHBondContact O-N 2.93Å
347E94.8Very high94.7Very high143 Ų14373.2 Ų73.267%0.66837%0.373SS*.Hα-helixtrans-67.1-46.8179.4-172.3174.5172.700112.2S345 K349 K350 S351S345-E347 PolarHBondContact O-N 3.16Å; E347-K349 PolarHBondContact O-N 3.39Å; E347-K350 PolarHBondContact O-N 2.7Å; E347-S351 PolarHBondContact O-N 3.4Å; E347-S351 PolarHBondContact O-OG 3.48Å
348N96Very high94.2Very high7 Ų772.4 Ų72.44%0.03737%0.371CS..Hα-helixtrans-64.9-40.3177.4-66.9-17.9000111.6W336 V339 V340 D343 S345 K350 S351 L352W336-N348 HydrophobicContact CZ3-CB 4.46Å; V339-N348 HydrophobicContact CG1-CB 4.04Å; V340-N348 HydrophobicContact CG2-CB 3.84Å; D343-N348 PolarHBondContact O-ND2 3.44Å; D343-N348 PolarHBondContact OD2-ND2 2.98Å; S345-N348 PolarHBondContact O-N 3.27Å; S345-N348 VanDerWaalsContact OG-CG 3.27Å; S345-N348 PolarHBondContact OG-N 3.26Å; S345-N348 PolarHBondContact OG-ND2 3.02Å; S345-N348 VanDerWaalsContact OG-ND2 3.14Å; N348-K350 PolarHBondContact O-N 2.9Å; N348-S351 PolarHBondContact O-N 3.35Å; N348-L352 PolarHBondContact O-N 3.18Å
349K96.5Very high93.8Very high120 Ų12072.5 Ų72.552%0.52237%0.368SS..Hα-helixtrans-62.4-40.8175-73.5175.6177164.80112.4V340 G344 S345 E347 S351 L352 Q353V340-K349 HydrophobicContact CG1-CG 3.98Å; V340-K349 HydrophobicContact CG2-CG 4.28Å; G344-K349 WeakPolarHBondContact O-CD 3.32Å; G344-K349 WeakPolarHBondContact O-CE 3.38Å; G344-K349 PolarHBondContact O-NZ 3.35Å; G344-K349 VanDerWaalsContact O-NZ 3.16Å; S345-K349 PolarHBondContact O-N 3.26Å; E347-K349 PolarHBondContact O-N 3.39Å; K349-S351 VanDerWaalsContact C-N 3.33Å; K349-L352 PolarHBondContact O-N 3.07Å; K349-Q353 PolarHBondContact O-N 3.33Å
350K95.5Very high93.1Very high165 Ų16575 Ų7572%0.71739%0.385SS*.Hα-helixtrans-62.5-42.1174.4-174.2-177.4177.2-173.30111.1R346 E347 N348 Q353 A354R346-K350 WeakPolarHBondContact O-CB 3.41Å; R346-K350 PolarHBondContact O-N 2.93Å; E347-K350 PolarHBondContact O-N 2.7Å; N348-K350 PolarHBondContact O-N 2.9Å; K350-Q353 PolarHBondContact O-N 2.93Å; K350-A354 PolarHBondContact O-N 3.45Å
351S95.5Very high92.2Very high29 Ų2975.5 Ų75.520%0.20339%0.388CS..Hα-helixtrans-66.5-40.6178.7-55.20000112.3W336 E347 N348 K349 Q353 A354 A355W336-S351 VanDerWaalsContact CH2-CB 3.41Å; W336-S351 VanDerWaalsContact CZ2-CB 3.46Å; E347-S351 PolarHBondContact O-N 3.4Å; E347-S351 PolarHBondContact O-OG 3.48Å; N348-S351 PolarHBondContact O-N 3.35Å; K349-S351 VanDerWaalsContact C-N 3.33Å; S351-Q353 VanDerWaalsContact C-N 3.34Å; S351-Q353 PolarHBondContact O-N 3.3Å; S351-A354 PolarHBondContact O-N 3.18Å; S351-A355 PolarHBondContact O-N 3.34Å
352L97Very high91.2Very high21 Ų2170.1 Ų70.111%0.1137%0.372CS..Hα-helixtrans-59.9-43.5171.1176.856.9000111.9V333 W336 T337 V340 N348 K349 A354 A355 K356V333-L352 HydrophobicContact CG1-CD1 4.17Å; W336-L352 HydrophobicContact CB-CB 3.93Å; W336-L352 HydrophobicContact CB-CD1 3.67Å; W336-L352 HydrophobicContact CB-CG 4.38Å; T337-L352 WeakPolarHBondContact OG1-CD1 3.36Å; V340-L352 HydrophobicContact CB-CD2 4.35Å; V340-L352 HydrophobicContact CG2-CB 4.11Å; V340-L352 HydrophobicContact CG2-CD2 4.04Å; N348-L352 PolarHBondContact O-N 3.18Å; K349-L352 PolarHBondContact O-N 3.07Å; L352-A354 VanDerWaalsContact C-N 3.34Å; L352-A355 PolarHBondContact O-N 3.38Å; L352-K356 HydrophobicContact CD1-CD 4.48Å; L352-K356 HydrophobicContact CD1-CG 4.37Å; L352-K356 HydrophobicContact CG-CD 4.47Å; L352-K356 WeakPolarHBondContact O-CG 3.39Å; L352-K356 PolarHBondContact O-N 2.92Å
353Q93.8Very high90.3Very high111 Ų11172 Ų7252%0.51938%0.379SS..Hα-helixtrans-64.1-41.2177.4-174.658.237.300111.6K349 K350 S351 K356 S357K349-Q353 PolarHBondContact O-N 3.33Å; K350-Q353 PolarHBondContact O-N 2.93Å; S351-Q353 VanDerWaalsContact C-N 3.34Å; S351-Q353 PolarHBondContact O-N 3.3Å; Q353-K356 PolarHBondContact O-N 3.08Å; Q353-S357 PolarHBondContact O-N 3.19Å; Q353-S357 PolarHBondContact O-OG 3.4Å
354A91.6Very high89.3Confident59 Ų5972.9 Ų72.949%0.48838%0.378SS..Hα-helixtrans-61.4-44.6175.400000111.9K350 S351 L352 K356 S357 A358K350-A354 PolarHBondContact O-N 3.45Å; S351-A354 PolarHBondContact O-N 3.18Å; L352-A354 VanDerWaalsContact C-N 3.34Å; A354-K356 VanDerWaalsContact C-N 3.34Å; A354-K356 PolarHBondContact O-N 3.03Å; A354-S357 PolarHBondContact O-N 3.48Å; A354-A358 WeakPolarHBondContact O-CB 3.46Å; A354-A358 PolarHBondContact O-N 3.26Å
355A92.9Very high88.6Confident3 Ų373.5 Ų73.53%0.02537%0.372CS..Hα-helixtrans-61.8-40.5175.800000112.2A332 V333 S351 L352 A358 L359A332-A355 HydrophobicContact CB-CB 4.38Å; V333-A355 VanDerWaalsContact CG2-C 3.46Å; V333-A355 HydrophobicContact CG2-CB 3.78Å; V333-A355 WeakPolarHBondContact CG2-O 3.23Å; S351-A355 PolarHBondContact O-N 3.34Å; L352-A355 PolarHBondContact O-N 3.38Å; A355-A358 PolarHBondContact O-N 3.25Å; A355-L359 WeakPolarHBondContact O-CB 3.47Å; A355-L359 PolarHBondContact O-N 3.45Å
356K93Very high88.2Confident96 Ų9671.9 Ų71.942%0.41736%0.36SS..Hα-helixtrans-65.1-39.8174.8-74.5179.2177.2-177.30112.6V333 L352 Q353 A354 S360V333-K356 HydrophobicContact CG1-CG 3.93Å; V333-K356 HydrophobicContact CG2-CB 4.48Å; V333-K356 HydrophobicContact CG2-CG 3.92Å; L352-K356 HydrophobicContact CD1-CD 4.48Å; L352-K356 HydrophobicContact CD1-CG 4.37Å; L352-K356 HydrophobicContact CG-CD 4.47Å; L352-K356 WeakPolarHBondContact O-CG 3.39Å; L352-K356 PolarHBondContact O-N 2.92Å; Q353-K356 PolarHBondContact O-N 3.08Å; A354-K356 VanDerWaalsContact C-N 3.34Å; A354-K356 PolarHBondContact O-N 3.03Å; K356-S360 WeakPolarHBondContact O-CB 3.35Å; K356-S360 PolarHBondContact O-N 3.13Å
357S86.2Confident87.9Confident57 Ų5761 Ų6140%0.39932%0.319SS..Hα-helixtrans-63.3-46.4174.2-71.80000110.9Q353 A354 L359 S360 V361Q353-S357 PolarHBondContact O-N 3.19Å; Q353-S357 PolarHBondContact O-OG 3.4Å; A354-S357 PolarHBondContact O-N 3.48Å; S357-L359 PolarHBondContact O-N 3.32Å; S357-S360 WeakPolarHBondContact O-CB 3.45Å; S357-S360 PolarHBondContact O-N 3.44Å; S357-S360 VanDerWaalsContact O-N 3.12Å; S357-V361 WeakPolarHBondContact O-CG2 3.44Å; S357-V361 PolarHBondContact O-N 3.37Å
358A85.7Confident87.5Confident29 Ų2961.9 Ų61.924%0.2432%0.321CS..Hα-helixtrans-60.8-44177.300000112.3Y329 A354 A355 S360 V361 S362Y329-A358 HydrophobicContact CD1-CB 3.56Å; Y329-A358 HydrophobicContact CE1-CB 3.62Å; Y329-A358 HydrophobicContact CG-CB 4.22Å; A354-A358 WeakPolarHBondContact O-CB 3.46Å; A354-A358 PolarHBondContact O-N 3.26Å; A355-A358 PolarHBondContact O-N 3.25Å; A358-S360 VanDerWaalsContact C-N 3.32Å; A358-S360 PolarHBondContact O-N 3.09Å; A358-V361 PolarHBondContact O-N 3.14Å; A358-V361 VanDerWaalsContact O-N 3.16Å; A358-S362 PolarHBondContact O-N 3.32Å
359L88.5Confident87.1Confident30 Ų3063.7 Ų63.716%0.15733%0.33CS..Hα-helixtrans-58.7-42.6172.3178.259.9000112.3E330 V333 A355 S357 V361 S362 Q363E330-L359 HydrophobicContact CG-CD1 3.68Å; E330-L359 WeakPolarHBondContact OE1-CD1 3.34Å; V333-L359 HydrophobicContact CB-CD2 4.46Å; V333-L359 HydrophobicContact CG2-CB 4.24Å; V333-L359 HydrophobicContact CG2-CD2 3.97Å; A355-L359 WeakPolarHBondContact O-CB 3.47Å; A355-L359 PolarHBondContact O-N 3.45Å; S357-L359 PolarHBondContact O-N 3.32Å; L359-V361 VanDerWaalsContact C-N 3.3Å; L359-V361 PolarHBondContact O-N 2.93Å; L359-S362 PolarHBondContact O-OG 3.33Å; L359-Q363 HydrophobicContact CD1-CG 4.33Å; L359-Q363 VanDerWaalsContact O-CG 3.29Å; L359-Q363 WeakPolarHBondContact O-CG 3.5Å; L359-Q363 PolarHBondContact O-N 2.85Å
360S82Confident86.8Confident53 Ų5358.3 Ų58.337%0.37131%0.307SS..Hα-helixtrans-64.4-37.7177179.90000111.7K356 S357 A358 R364K356-S360 WeakPolarHBondContact O-CB 3.35Å; K356-S360 PolarHBondContact O-N 3.13Å; S357-S360 WeakPolarHBondContact O-CB 3.45Å; S357-S360 PolarHBondContact O-N 3.44Å; S357-S360 VanDerWaalsContact O-N 3.12Å; A358-S360 VanDerWaalsContact C-N 3.32Å; A358-S360 PolarHBondContact O-N 3.09Å; S360-R364 WeakPolarHBondContact O-CG 3.33Å
361V76.3Confident86.5Confident39 Ų3953.7 Ų53.724%0.23631%0.306CS..Hα-helixtrans-70.9-44.4179.1172.60000110.8S357 A358 L359 Q363 R364S357-V361 WeakPolarHBondContact O-CG2 3.44Å; S357-V361 PolarHBondContact O-N 3.37Å; A358-V361 PolarHBondContact O-N 3.14Å; A358-V361 VanDerWaalsContact O-N 3.16Å; L359-V361 VanDerWaalsContact C-N 3.3Å; L359-V361 PolarHBondContact O-N 2.93Å; V361-Q363 PolarHBondContact O-N 2.87Å; V361-R364 WeakPolarHBondContact O-CB 3.43Å; V361-R364 PolarHBondContact O-N 3.35Å
362S75.4Confident86.3Confident62 Ų6254 Ų5443%0.43431%0.306SS..Hα-helixtrans-61.4-27.817971.70000113.1Y329 A358 L359Y329-S362 VanDerWaalsContact CD2-CB 3.48Å; Y329-S362 WeakPolarHBondContact CD2-OG 3.18Å; A358-S362 PolarHBondContact O-N 3.32Å; L359-S362 PolarHBondContact O-OG 3.33Å
363Q74.8Confident85.9Confident125 Ų12561 Ų6158%0.58434%0.335SS*.THydrogen-bonded Turntrans-85-8.2177.7-68179.7-4.600114.1E330 L359 V361 D365E330-Q363 PolarHBondContact OE1-NE2 3.28Å; E330-Q363 VanDerWaalsContact OE1-NE2 3.17Å; L359-Q363 HydrophobicContact CD1-CG 4.33Å; L359-Q363 VanDerWaalsContact O-CG 3.29Å; L359-Q363 WeakPolarHBondContact O-CG 3.5Å; L359-Q363 PolarHBondContact O-N 2.85Å; V361-Q363 PolarHBondContact O-N 2.87Å; Q363-D365 PolarHBondContact O-N 3.42Å; Q363-D365 VanDerWaalsContact O-N 3.11Å
364R73Confident85.5Confident77 Ų7762.5 Ų62.529%0.29134%0.34SS..  trans-78.494.9179.8-76.5177.6-168-179.514111.6S360 V361 E417 Y431S360-R364 WeakPolarHBondContact O-CG 3.33Å; V361-R364 WeakPolarHBondContact O-CB 3.43Å; V361-R364 PolarHBondContact O-N 3.35Å; R364-E417 IonicContact NH1-OE1 2.61Å; R364-E417 PolarHBondContact NH1-OE1 2.7Å; R364-E417 IonicContact NH1-OE2 2.86Å; R364-Y431 PolarHBondContact O-OH 3.15Å; R364-Y431 VanDerWaalsContact O-OH 3.12Å
365D80.6Confident85.3Confident52 Ų5266.2 Ų66.228%0.27835%0.351SS..  trans-93104.9163.7-177.4-17.7000109.7Q363 Y367 K368 I369 Y431Q363-D365 PolarHBondContact O-N 3.42Å; Q363-D365 VanDerWaalsContact O-N 3.11Å; D365-Y367 PolarHBondContact O-N 3.29Å; D365-Y367 WeakPolarHBondContact OD1-CA 3.41Å; D365-Y367 VanDerWaalsContact OD1-CB 3.31Å; D365-Y367 WeakPolarHBondContact OD1-CB 3.37Å; D365-Y367 PolarHBondContact OD1-N 3.09Å; D365-K368 HydrophobicContact CB-CB 3.73Å; D365-K368 WeakPolarHBondContact O-CB 3.46Å; D365-K368 PolarHBondContact O-N 3.2Å; D365-K368 VanDerWaalsContact O-N 3.09Å; D365-K368 PolarHBondContact OD1-N 2.91Å; D365-K368 VanDerWaalsContact OD1-N 3.12Å; D365-I369 WeakPolarHBondContact O-CG1 3.41Å; D365-I369 PolarHBondContact O-N 3.15Å; D365-Y431 WeakPolarHBondContact CA-OH 3.23Å
366Y87.1Confident85.2Confident2 Ų266.4 Ų66.41%0.00835%0.353CS..Hα-helixtrans-63-30.6-179.1-69.3-48.9000113I369 L370 E417 A418 I421 Y431 G438Y366-I369 HydrophobicContact CD1-CD1 3.83Å; Y366-I369 HydrophobicContact CE1-CD1 4.35Å; Y366-I369 PolarHBondContact O-N 3.01Å; Y366-L370 PolarHBondContact O-N 2.94Å; Y366-E417 HydrophobicContact CE1-CB 4.43Å; Y366-E417 HydrophobicContact CE1-CG 3.82Å; Y366-E417 PolarHBondContact OH-OE1 3.03Å; Y366-A418 VanDerWaalsContact CD1-CA 3.44Å; Y366-A418 HydrophobicContact CD1-CB 3.65Å; Y366-A418 HydrophobicContact CG-CB 4.15Å; Y366-I421 HydrophobicContact CD2-CB 4.06Å; Y366-I421 HydrophobicContact CD2-CG1 4Å; Y366-I421 HydrophobicContact CD2-CG2 3.85Å; Y366-I421 HydrophobicContact CE2-CB 4.22Å; Y366-I421 HydrophobicContact CE2-CD1 4.49Å; Y366-I421 HydrophobicContact CE2-CG1 3.64Å; Y366-I421 HydrophobicContact CE2-CG2 4.19Å; Y366-Y431 HydrophobicContact CD2-CD1 4.29Å; Y366-Y431 AromaticContact CD2-CD2 3.67Å; Y366-Y431 HydrophobicContact CD2-CD2 3.67Å; Y366-Y431 AromaticContact CD2-CE1 3.93Å; Y366-Y431 HydrophobicContact CD2-CE1 3.93Å; Y366-Y431 AromaticContact CD2-CE2 3.27Å; Y366-Y431 HydrophobicContact CD2-CE2 3.27Å; Y366-Y431 HydrophobicContact CD2-CG 4.16Å; Y366-Y431 AromaticContact CD2-CZ 3.41Å; Y366-Y431 VanDerWaalsContact CD2-CZ 3.41Å; Y366-Y431 AromaticContact CE2-CD2 3.89Å; Y366-Y431 HydrophobicContact CE2-CD2 3.89Å; Y366-Y431 AromaticContact CE2-CE2 3.63Å; Y366-Y431 HydrophobicContact CE2-CE2 3.63Å; Y366-Y431 HydrophobicContact CG-CE2 4.31Å; Y366-Y431 PolarHBondContact N-OH 2.92Å; Y366-G438 WeakPolarHBondContact OH-CA 3.4Å
367Y89.3Confident85.2Confident1 Ų164.3 Ų64.30%0.00435%0.351CS..Hα-helixtrans-66.5-44.6173.8-65.7-84.5000109.9D365 I369 L370 G371 L372 K373 K374 L422 R428 Y431 D432D365-Y367 PolarHBondContact O-N 3.29Å; D365-Y367 WeakPolarHBondContact OD1-CA 3.41Å; D365-Y367 VanDerWaalsContact OD1-CB 3.31Å; D365-Y367 WeakPolarHBondContact OD1-CB 3.37Å; D365-Y367 PolarHBondContact OD1-N 3.09Å; Y367-I369 VanDerWaalsContact C-N 3.33Å; Y367-I369 PolarHBondContact O-N 3.47Å; Y367-L370 CarbonylContact O-C 3.58Å; Y367-L370 PolarHBondContact O-N 3.16Å; Y367-G371 PolarHBondContact O-N 2.9Å; Y367-L372 CarbonylContact C-O 3.39Å; Y367-L372 HydrophobicContact CD1-CB 4.34Å; Y367-L372 PolarHBondContact O-N 3.49Å; Y367-K373 WeakPolarHBondContact CD1-O 3.41Å; Y367-K374 HydrophobicContact CD2-CB 4.39Å; Y367-K374 HydrophobicContact CD2-CG 3.8Å; Y367-K374 WeakPolarHBondContact CE1-O 3.49Å; Y367-K374 HydrophobicContact CE2-CB 4.33Å; Y367-K374 HydrophobicContact CE2-CG 4.08Å; Y367-K374 HydrophobicContact CG-CG 4.17Å; Y367-L422 HydrophobicContact CD1-CD1 4.05Å; Y367-L422 HydrophobicContact CD1-CD2 4.24Å; Y367-L422 HydrophobicContact CD2-CD2 4.2Å; Y367-L422 HydrophobicContact CE1-CD1 4.3Å; Y367-L422 HydrophobicContact CE1-CD2 3.76Å; Y367-L422 HydrophobicContact CE2-CD2 3.73Å; Y367-L422 HydrophobicContact CG-CD1 4.26Å; Y367-L422 HydrophobicContact CG-CD2 4.45Å; Y367-L422 VanDerWaalsContact CZ-CD2 3.49Å; Y367-R428 PolarHBondContact OH-NE 2.7Å; Y367-R428 PolarHBondContact OH-NH2 3.45Å; Y367-Y431 AromaticContact CD2-CE1 3.98Å; Y367-Y431 HydrophobicContact CD2-CE1 3.98Å; Y367-Y431 HydrophobicContact CE2-CD1 4.09Å; Y367-Y431 AromaticContact CE2-CE1 3.78Å; Y367-Y431 HydrophobicContact CE2-CE1 3.78Å; Y367-D432 WeakPolarHBondContact CE2-OD1 3.34Å; Y367-D432 VanDerWaalsContact CZ-OD1 3.31Å; Y367-D432 PolarHBondContact OH-OD1 3.45Å; Y367-D432 PolarHBondContact OH-OD2 3.37Å
368K86.4Confident85.5Confident162 Ų16264.6 Ų64.670%0.70435%0.352SS*.Hα-helixtrans-62.9-38.7177-166.2-179.8-178.2-179.90112.3D365 L370 G371D365-K368 HydrophobicContact CB-CB 3.73Å; D365-K368 WeakPolarHBondContact O-CB 3.46Å; D365-K368 PolarHBondContact O-N 3.2Å; D365-K368 VanDerWaalsContact O-N 3.09Å; D365-K368 PolarHBondContact OD1-N 2.91Å; D365-K368 VanDerWaalsContact OD1-N 3.12Å; K368-L370 VanDerWaalsContact C-N 3.28Å; K368-L370 PolarHBondContact O-N 3.33Å; K368-G371 PolarHBondContact O-N 3.47Å
369I88Confident85.8Confident45 Ų4567.9 Ų67.923%0.23137%0.366CS..Hα-helixtrans-58.8-40.8176-70.5165000111D365 Y366 Y367 G371 E414 I415 A418D365-I369 WeakPolarHBondContact O-CG1 3.41Å; D365-I369 PolarHBondContact O-N 3.15Å; Y366-I369 HydrophobicContact CD1-CD1 3.83Å; Y366-I369 HydrophobicContact CE1-CD1 4.35Å; Y366-I369 PolarHBondContact O-N 3.01Å; Y367-I369 VanDerWaalsContact C-N 3.33Å; Y367-I369 PolarHBondContact O-N 3.47Å; I369-G371 VanDerWaalsContact C-N 3.32Å; I369-E414 HydrophobicContact CG2-CB 4.19Å; I369-I415 HydrophobicContact CG2-CG1 4.19Å; I369-A418 HydrophobicContact CB-CB 4.06Å; I369-A418 HydrophobicContact CG2-CB 3.78Å
370L89.9Confident86.1Confident7 Ų769.8 Ų69.84%0.03738%0.377CS..THydrogen-bonded Turntrans-83.6-2175.2-66-176.5000114Y366 Y367 K368 L372 I381 A384 I415 A418 L422Y366-L370 PolarHBondContact O-N 2.94Å; Y367-L370 CarbonylContact O-C 3.58Å; Y367-L370 PolarHBondContact O-N 3.16Å; K368-L370 VanDerWaalsContact C-N 3.28Å; K368-L370 PolarHBondContact O-N 3.33Å; L370-L372 VanDerWaalsContact C-N 3.33Å; L370-L372 HydrophobicContact CB-CD1 3.68Å; L370-L372 HydrophobicContact CB-CG 3.94Å; L370-L372 HydrophobicContact CD1-CD1 4.02Å; L370-I381 HydrophobicContact CD1-CG2 4.16Å; L370-A384 HydrophobicContact CB-CB 4.18Å; L370-A384 WeakPolarHBondContact O-CB 3.28Å; L370-I415 HydrophobicContact CD2-CB 4.5Å; L370-I415 HydrophobicContact CD2-CG2 3.87Å; L370-A418 HydrophobicContact CD1-CB 4.23Å; L370-A418 HydrophobicContact CD2-CB 4.17Å; L370-A418 HydrophobicContact CG-CB 3.81Å; L370-L422 HydrophobicContact CD1-CD1 3.86Å
371G89.1Confident86.6Confident68 Ų6867.3 Ų67.370%0.70136%0.359SS*.THydrogen-bonded Turntrans69.730.4-176.100000113.5Y367 K368 I369Y367-G371 PolarHBondContact O-N 2.9Å; K368-G371 PolarHBondContact O-N 3.47Å; I369-G371 VanDerWaalsContact C-N 3.32Å
372L91.2Very high87.4Confident36 Ų3669.6 Ų69.619%0.18837%0.366CS..  trans-109.3159.2-176.2-66.2171.6000111.8Y367 L370 A376 D380 I381 A384Y367-L372 CarbonylContact C-O 3.39Å; Y367-L372 HydrophobicContact CD1-CB 4.34Å; Y367-L372 PolarHBondContact O-N 3.49Å; L370-L372 VanDerWaalsContact C-N 3.33Å; L370-L372 HydrophobicContact CB-CD1 3.68Å; L370-L372 HydrophobicContact CB-CG 3.94Å; L370-L372 HydrophobicContact CD1-CD1 4.02Å; L372-A376 HydrophobicContact CB-CB 4.01Å; L372-A376 HydrophobicContact CD1-CB 4.22Å; L372-A376 HydrophobicContact CD2-CB 4.03Å; L372-A376 HydrophobicContact CG-CB 4.32Å; L372-D380 HydrophobicContact CD2-CB 4.02Å; L372-I381 HydrophobicContact CD1-CB 4.18Å; L372-I381 HydrophobicContact CD1-CG1 3.63Å; L372-A384 HydrophobicContact CD1-CB 3.84Å; L372-A384 HydrophobicContact CD2-CB 3.79Å; L372-A384 HydrophobicContact CG-CB 3.84Å
373K89.2Confident88.2Confident166 Ų16672.8 Ų72.872%0.72237%0.374SS*.  trans-88.2155.1164.8-64.4-178.3-179.5179.90109.3Y367 N375 A376Y367-K373 WeakPolarHBondContact CD1-O 3.41Å; K373-N375 WeakPolarHBondContact CB-OD1 3.36Å; K373-N375 PolarHBondContact O-N 2.84Å; K373-N375 VanDerWaalsContact O-N 3.08Å; K373-A376 WeakPolarHBondContact O-CB 3.41Å; K373-A376 PolarHBondContact O-N 3.4Å
374K85.5Confident89.1Confident144 Ų14467.5 Ų67.563%0.62635%0.351SS*.THydrogen-bonded Turntrans-57-26.6179.7-66.6-167173.2-169.60114.2Y367 A376 R428Y367-K374 HydrophobicContact CD2-CB 4.39Å; Y367-K374 HydrophobicContact CD2-CG 3.8Å; Y367-K374 WeakPolarHBondContact CE1-O 3.49Å; Y367-K374 HydrophobicContact CE2-CB 4.33Å; Y367-K374 HydrophobicContact CE2-CG 4.08Å; Y367-K374 HydrophobicContact CG-CG 4.17Å; K374-A376 VanDerWaalsContact C-N 3.31Å; K374-A376 PolarHBondContact O-N 3.36Å; K374-R428 PolarHBondContact O-NH2 3.13Å
375N88Confident90.1Very high136 Ų13663.9 Ų63.973%0.72734%0.338SS*.THydrogen-bonded Turntrans-879.8177.369.7-23.3000114.4K373K373-N375 WeakPolarHBondContact CB-OD1 3.36Å; K373-N375 PolarHBondContact O-N 2.84Å; K373-N375 VanDerWaalsContact O-N 3.08Å
376A90.8Very high90.7Very high8 Ų867.6 Ų67.67%0.06635%0.348CS..  trans-56.5138.7178.800000111.9L372 K373 K374 D380 I381 R428L372-A376 HydrophobicContact CB-CB 4.01Å; L372-A376 HydrophobicContact CD1-CB 4.22Å; L372-A376 HydrophobicContact CD2-CB 4.03Å; L372-A376 HydrophobicContact CG-CB 4.32Å; K373-A376 WeakPolarHBondContact O-CB 3.41Å; K373-A376 PolarHBondContact O-N 3.4Å; K374-A376 VanDerWaalsContact C-N 3.31Å; K374-A376 PolarHBondContact O-N 3.36Å; A376-D380 HydrophobicContact CB-CB 3.95Å; A376-I381 HydrophobicContact CB-CG1 4.32Å; A376-R428 VanDerWaalsContact O-CZ 3.27Å; A376-R428 PolarHBondContact O-NH1 2.99Å; A376-R428 PolarHBondContact O-NH2 2.9Å
377S92.8Very high91Very high52 Ų5275.3 Ų75.336%0.36438%0.382SS..  trans-70.4164.6174.4700000111.4D379 D380 I381S377-D379 PolarHBondContact O-N 3.13Å; S377-D379 PolarHBondContact OG-N 3.45Å; S377-D380 WeakPolarHBondContact CB-OD2 3.21Å; S377-D380 PolarHBondContact N-OD2 2.91Å; S377-D380 PolarHBondContact O-N 3.48Å; S377-D380 PolarHBondContact OG-N 3.29Å; S377-D380 VanDerWaalsContact OG-N 3.11Å; S377-D380 PolarHBondContact OG-OD2 3.06Å; S377-I381 WeakPolarHBondContact O-CG1 3.45Å; S377-I381 PolarHBondContact O-N 2.98Å; S377-I381 VanDerWaalsContact O-N 3.09Å
378S91.8Very high91.1Very high62 Ų6276.2 Ų76.243%0.43439%0.388SS..Hα-helixtrans-59.1-29.2173-61.40000112.5K382S378-K382 WeakPolarHBondContact O-CG 3.42Å; S378-K382 PolarHBondContact O-N 3.36Å
379D91.8Very high91.4Very high99 Ų9968.5 Ų68.553%0.52936%0.355SS..Hα-helixtrans-75.8-39176.8-69.5-27.3000111.9S377 I381 K382 Q383S377-D379 PolarHBondContact O-N 3.13Å; S377-D379 PolarHBondContact OG-N 3.45Å; D379-I381 VanDerWaalsContact C-N 3.29Å; D379-I381 PolarHBondContact O-N 3.07Å; D379-K382 PolarHBondContact O-N 3.2Å; D379-Q383 WeakPolarHBondContact O-CG 3.46Å; D379-Q383 PolarHBondContact O-N 2.87Å
380D94.5Very high91.6Very high70 Ų7068.7 Ų68.737%0.37436%0.356SS..Hα-helixtrans-59.2-42.7173.2-62-42.8000111L372 A376 S377 Q383 A384L372-D380 HydrophobicContact CD2-CB 4.02Å; A376-D380 HydrophobicContact CB-CB 3.95Å; S377-D380 WeakPolarHBondContact CB-OD2 3.21Å; S377-D380 PolarHBondContact N-OD2 2.91Å; S377-D380 PolarHBondContact O-N 3.48Å; S377-D380 PolarHBondContact OG-N 3.29Å; S377-D380 VanDerWaalsContact OG-N 3.11Å; S377-D380 PolarHBondContact OG-OD2 3.06Å; D380-Q383 PolarHBondContact O-N 2.93Å; D380-A384 VanDerWaalsContact O-CB 3.24Å; D380-A384 WeakPolarHBondContact O-CB 3.47Å; D380-A384 PolarHBondContact O-N 3.49Å
381I93.3Very high91.6Very high0 Ų072.1 Ų72.10%037%0.374CS..Hα-helixtrans-60.9-45.9177.4-67.8161.2000111.3L370 L372 A376 S377 D379 Y385 Y419 L422L370-I381 HydrophobicContact CD1-CG2 4.16Å; L372-I381 HydrophobicContact CD1-CB 4.18Å; L372-I381 HydrophobicContact CD1-CG1 3.63Å; A376-I381 HydrophobicContact CB-CG1 4.32Å; S377-I381 WeakPolarHBondContact O-CG1 3.45Å; S377-I381 PolarHBondContact O-N 2.98Å; S377-I381 VanDerWaalsContact O-N 3.09Å; D379-I381 VanDerWaalsContact C-N 3.29Å; D379-I381 PolarHBondContact O-N 3.07Å; I381-Y385 WeakPolarHBondContact O-CB 3.41Å; I381-Y385 PolarHBondContact O-N 2.65Å; I381-Y419 HydrophobicContact CG2-CD2 3.86Å; I381-Y419 HydrophobicContact CG2-CE2 4.16Å; I381-L422 HydrophobicContact CD1-CB 4.08Å; I381-L422 HydrophobicContact CG1-CB 4.4Å; I381-L422 HydrophobicContact CG2-CB 3.86Å
382K92.9Very high91.6Very high88 Ų8871.1 Ų71.138%0.38335%0.349SS..Hα-helixtrans-63.9-43.6176.9-72.1172.1-175172.10112.3S378 D379 R386 Y419S378-K382 WeakPolarHBondContact O-CG 3.42Å; S378-K382 PolarHBondContact O-N 3.36Å; D379-K382 PolarHBondContact O-N 3.2Å; K382-R386 WeakPolarHBondContact O-CG 3.49Å; K382-R386 PolarHBondContact O-N 3.32Å; K382-Y419 HydrophobicContact CG-CE2 4.07Å
383Q92.9Very high91.5Very high128 Ų12869.6 Ų69.660%0.59834%0.341SS*.Hα-helixtrans-66.6-43.8179.5-72.1-176.810.900111.8D379 D380 R386 K387D379-Q383 WeakPolarHBondContact O-CG 3.46Å; D379-Q383 PolarHBondContact O-N 2.87Å; D380-Q383 PolarHBondContact O-N 2.93Å; Q383-R386 PolarHBondContact O-N 3.17Å; Q383-K387 WeakPolarHBondContact O-CB 3.39Å; Q383-K387 PolarHBondContact O-N 3.12Å
384A93.9Very high91.3Very high14 Ų1463.7 Ų63.712%0.11632%0.319CS..Hα-helixtrans-62.4-43.7176.700000112L370 L372 D380 K387 S388L370-A384 HydrophobicContact CB-CB 4.18Å; L370-A384 WeakPolarHBondContact O-CB 3.28Å; L372-A384 HydrophobicContact CD1-CB 3.84Å; L372-A384 HydrophobicContact CD2-CB 3.79Å; L372-A384 HydrophobicContact CG-CB 3.84Å; D380-A384 VanDerWaalsContact O-CB 3.24Å; D380-A384 WeakPolarHBondContact O-CB 3.47Å; D380-A384 PolarHBondContact O-N 3.49Å; A384-K387 PolarHBondContact O-N 3.31Å; A384-S388 VanDerWaalsContact O-CB 3.3Å; A384-S388 WeakPolarHBondContact O-CB 3.39Å; A384-S388 PolarHBondContact O-N 3.2Å; A384-S388 PolarHBondContact O-OG 2.63Å; A384-S388 VanDerWaalsContact O-OG 3.06Å
385Y94.2Very high91.3Very high1 Ų161.9 Ų61.90%0.00432%0.317CS..Hα-helixtrans-59.3-50173.2173.1-103.4000111.5I381 K387 S388 A389 I415 Y419 L452 F453 V456I381-Y385 WeakPolarHBondContact O-CB 3.41Å; I381-Y385 PolarHBondContact O-N 2.65Å; Y385-K387 VanDerWaalsContact C-N 3.34Å; Y385-K387 PolarHBondContact O-N 3.48Å; Y385-S388 PolarHBondContact O-N 3.39Å; Y385-A389 HydrophobicContact CD2-CB 4.31Å; Y385-A389 HydrophobicContact CE1-CB 4.24Å; Y385-A389 HydrophobicContact CE2-CB 3.94Å; Y385-A389 WeakPolarHBondContact O-CB 3.46Å; Y385-A389 PolarHBondContact O-N 3.08Å; Y385-I415 HydrophobicContact CD2-CG2 3.62Å; Y385-I415 HydrophobicContact CE2-CG2 3.92Å; Y385-Y419 AromaticContact CD1-CD1 3.95Å; Y385-Y419 HydrophobicContact CD1-CD1 3.95Å; Y385-Y419 HydrophobicContact CD1-CD2 4.09Å; Y385-Y419 HydrophobicContact CD1-CE1 4.03Å; Y385-Y419 HydrophobicContact CD1-CE2 4.17Å; Y385-Y419 AromaticContact CD1-CG 3.96Å; Y385-Y419 HydrophobicContact CD1-CG 3.96Å; Y385-Y419 AromaticContact CD2-CD1 3.97Å; Y385-Y419 HydrophobicContact CD2-CD1 3.97Å; Y385-Y419 HydrophobicContact CD2-CD2 4.08Å; Y385-Y419 AromaticContact CD2-CG 3.52Å; Y385-Y419 HydrophobicContact CD2-CG 3.52Å; Y385-Y419 HydrophobicContact CE1-CD1 4.14Å; Y385-Y419 HydrophobicContact CE1-CE1 4.24Å; Y385-Y419 HydrophobicContact CE2-CD1 4.15Å; Y385-Y419 HydrophobicContact CE2-CG 4.12Å; Y385-Y419 AromaticContact CG-CD1 3.87Å; Y385-Y419 HydrophobicContact CG-CD1 3.87Å; Y385-Y419 AromaticContact CG-CD2 3.54Å; Y385-Y419 HydrophobicContact CG-CD2 3.54Å; Y385-Y419 HydrophobicContact CG-CE1 4.34Å; Y385-Y419 HydrophobicContact CG-CE2 4.06Å; Y385-Y419 AromaticContact CG-CG 3.42Å; Y385-Y419 HydrophobicContact CG-CG 3.42Å; Y385-Y419 VanDerWaalsContact CG-CG 3.42Å; Y385-L452 HydrophobicContact CE2-CD2 3.95Å; Y385-L452 HydrophobicContact CE2-CG 4.47Å; Y385-F453 WeakPolarHBondContact OH-CA 3.48Å; Y385-F453 PolarHBondContact OH-N 3.41Å; Y385-V456 HydrophobicContact CD1-CB 4.48Å; Y385-V456 HydrophobicContact CD1-CG1 4.16Å; Y385-V456 HydrophobicContact CD1-CG2 4.15Å; Y385-V456 HydrophobicContact CE1-CB 3.88Å; Y385-V456 HydrophobicContact CE1-CG1 3.99Å; Y385-V456 HydrophobicContact CE1-CG2 3.65Å
386R92.5Very high91.3Very high130 Ų13062 Ų6249%0.49131%0.307SS..Hα-helixtrans-56.2-47.8179.4-77.4177.6179.4173.10.9112.1K382 Q383 L390 V456 F457K382-R386 WeakPolarHBondContact O-CG 3.49Å; K382-R386 PolarHBondContact O-N 3.32Å; Q383-R386 PolarHBondContact O-N 3.17Å; R386-L390 WeakPolarHBondContact O-CB 3.41Å; R386-L390 WeakPolarHBondContact O-CG 3.45Å; R386-L390 PolarHBondContact O-N 3.42Å; R386-L390 VanDerWaalsContact O-N 3.14Å; R386-V456 HydrophobicContact CG-CG1 3.61Å; R386-F457 HydrophobicContact CB-CZ 3.85Å; R386-F457 HydrophobicContact CG-CE1 4.36Å; R386-F457 HydrophobicContact CG-CE2 4.46Å; R386-F457 HydrophobicContact CG-CZ 3.82Å
387K93Very high91Very high165 Ų16563.1 Ų63.172%0.71731%0.311SS*.Hα-helixtrans-61.6-48.2179.6-176179.9179.6-179.70111.6Q383 A384 Y385 L391Q383-K387 WeakPolarHBondContact O-CB 3.39Å; Q383-K387 PolarHBondContact O-N 3.12Å; A384-K387 PolarHBondContact O-N 3.31Å; Y385-K387 VanDerWaalsContact C-N 3.34Å; Y385-K387 PolarHBondContact O-N 3.48Å; K387-L391 WeakPolarHBondContact O-CB 3.45Å; K387-L391 PolarHBondContact O-N 3.4Å; K387-L391 VanDerWaalsContact O-N 3.12Å
388S92.1Very high90.4Very high20 Ų2066 Ų6614%0.1433%0.326CS..Hα-helixtrans-72.2-42.2-176.7-62.90000112A384 Y385 L390 L391 Y392A384-S388 VanDerWaalsContact O-CB 3.3Å; A384-S388 WeakPolarHBondContact O-CB 3.39Å; A384-S388 PolarHBondContact O-N 3.2Å; A384-S388 PolarHBondContact O-OG 2.63Å; A384-S388 VanDerWaalsContact O-OG 3.06Å; Y385-S388 PolarHBondContact O-N 3.39Å; S388-L390 VanDerWaalsContact C-N 3.35Å; S388-L390 PolarHBondContact O-N 2.9Å; S388-L391 WeakPolarHBondContact O-CB 3.15Å; S388-L391 PolarHBondContact O-N 3.28Å; S388-Y392 WeakPolarHBondContact O-CD2 3.4Å; S388-Y392 PolarHBondContact O-N 2.88Å
389A92.3Very high90.2Very high0 Ų068.6 Ų68.60%035%0.345CS..Hα-helixtrans-63.3-39.9178.700000111.9Y385 L391 H393 F412 F453 F457Y385-A389 HydrophobicContact CD2-CB 4.31Å; Y385-A389 HydrophobicContact CE1-CB 4.24Å; Y385-A389 HydrophobicContact CE2-CB 3.94Å; Y385-A389 WeakPolarHBondContact O-CB 3.46Å; Y385-A389 PolarHBondContact O-N 3.08Å; A389-L391 VanDerWaalsContact C-N 3.34Å; A389-H393 WeakPolarHBondContact O-CB 3.34Å; A389-H393 PolarHBondContact O-N 3.07Å; A389-F412 HydrophobicContact CB-CE2 4.16Å; A389-F412 WeakPolarHBondContact O-CE2 3.33Å; A389-F453 HydrophobicContact CB-CD2 3.84Å; A389-F453 HydrophobicContact CB-CE2 4.08Å; A389-F457 HydrophobicContact CB-CE2 4.34Å
390L91.1Very high89.9Confident48 Ų4865.6 Ų65.625%0.25133%0.333SS..Hα-helixtrans-65.6-34170.4-76.3170.2000112.8R386 S388 R396 F453 F457 F460R386-L390 WeakPolarHBondContact O-CB 3.41Å; R386-L390 WeakPolarHBondContact O-CG 3.45Å; R386-L390 PolarHBondContact O-N 3.42Å; R386-L390 VanDerWaalsContact O-N 3.14Å; S388-L390 VanDerWaalsContact C-N 3.35Å; S388-L390 PolarHBondContact O-N 2.9Å; L390-R396 WeakPolarHBondContact O-CD 3.36Å; L390-R396 PolarHBondContact O-NH1 3.19Å; L390-F453 HydrophobicContact CD2-CZ 4.37Å; L390-F457 HydrophobicContact CD1-CE1 3.76Å; L390-F457 HydrophobicContact CD1-CZ 3.86Å; L390-F457 HydrophobicContact CD2-CE1 4.07Å; L390-F457 HydrophobicContact CD2-CZ 4.16Å; L390-F457 HydrophobicContact CG-CE1 3.84Å; L390-F457 HydrophobicContact CG-CE2 4.34Å; L390-F457 HydrophobicContact CG-CZ 3.61Å; L390-F460 HydrophobicContact CD2-CD2 4.22Å; L390-F460 HydrophobicContact CD2-CE2 3.43Å; L390-F460 VanDerWaalsContact CD2-CE2 3.43Å; L390-F460 HydrophobicContact CD2-CZ 3.88Å
391L90.1Very high89.7Confident79 Ų7966.6 Ų66.641%0.41434%0.338SS..Hα-helixtrans-70.8-39.5-180179.960.8000112.2K387 S388 A389 H397K387-L391 WeakPolarHBondContact O-CB 3.45Å; K387-L391 PolarHBondContact O-N 3.4Å; K387-L391 VanDerWaalsContact O-N 3.12Å; S388-L391 WeakPolarHBondContact O-CB 3.15Å; S388-L391 PolarHBondContact O-N 3.28Å; A389-L391 VanDerWaalsContact C-N 3.34Å; L391-H397 PolarHBondContact O-NE2 3.26Å
392Y89.5Confident89.4Confident47 Ų4774.6 Ų74.618%0.18438%0.376CS..Hα-helixtrans-1034.9-172.9-64.2-73.6000114.2S388 K408 K411 I415S388-Y392 WeakPolarHBondContact O-CD2 3.4Å; S388-Y392 PolarHBondContact O-N 2.88Å; Y392-K408 HydrophobicContact CD1-CD 3.6Å; Y392-K408 HydrophobicContact CE1-CD 3.93Å; Y392-K411 HydrophobicContact CD1-CB 3.77Å; Y392-K411 HydrophobicContact CD1-CD 3.82Å; Y392-K411 HydrophobicContact CD1-CG 4.44Å; Y392-K411 HydrophobicContact CE1-CB 4.11Å; Y392-K411 HydrophobicContact CE1-CD 3.3Å; Y392-K411 HydrophobicContact CE1-CG 4.33Å; Y392-K411 HydrophobicContact CG-CB 4.01Å; Y392-I415 HydrophobicContact CD2-CD1 3.18Å; Y392-I415 HydrophobicContact CE2-CD1 3.79Å; Y392-I415 HydrophobicContact CG-CD1 3.91Å
393H89.7Confident89Confident5 Ų573.9 Ų73.92%0.02339%0.386CS..  trans-55.8134178.3-166.3-89.8000111.7A389 D395 R396 H397 F412 F453A389-H393 WeakPolarHBondContact O-CB 3.34Å; A389-H393 PolarHBondContact O-N 3.07Å; H393-D395 VanDerWaalsContact C-N 3.27Å; H393-D395 IonicContact CE1-OD1 3.56Å; H393-D395 IonicContact CE1-OD2 2.99Å; H393-D395 PolarHBondContact CE1-OD2 2.93Å; H393-D395 WeakPolarHBondContact ND1-CB 3.49Å; H393-D395 PolarHBondContact ND1-N 3.48Å; H393-D395 IonicContact ND1-OD1 3.61Å; H393-D395 IonicContact ND1-OD2 3.2Å; H393-D395 PolarHBondContact O-N 3.45Å; H393-R396 PolarHBondContact O-N 2.95Å; H393-H397 PolarHBondContact O-CD2 3.16Å; H393-F412 HydrophobicContact CB-CE2 4.33Å; H393-F412 AromaticContact CD2-CE2 3.87Å; H393-F412 AromaticContact CD2-CZ 3.87Å; H393-F453 AromaticContact CD2-CD1 3.8Å; H393-F453 AromaticContact CD2-CD2 3.97Å; H393-F453 AromaticContact CD2-CE1 3.46Å; H393-F453 VanDerWaalsContact CD2-CE1 3.46Å; H393-F453 WeakPolarHBondContact CD2-CE1 3.38Å; H393-F453 AromaticContact CD2-CE2 3.63Å; H393-F453 AromaticContact CD2-CZ 3.37Å; H393-F453 WeakPolarHBondContact CD2-CZ 3.45Å; H393-F453 AromaticContact NE2-CD1 3.78Å; H393-F453 AromaticContact NE2-CE1 3.54Å; H393-F453 AromaticContact NE2-CZ 3.93Å
394P84.9Confident88.6Confident41 Ų4169.6 Ų69.627%0.26637%0.369SS..G310 helixtrans-51.4-41.7-177.4-29.335.5000114R396 H397 T398 E409P394-R396 PolarHBondContact O-N 3.24Å; P394-H397 PolarHBondContact O-N 3.14Å; P394-T398 PolarHBondContact O-N 3.2Å; P394-E409 HydrophobicContact CG-CG 4.49Å
395D85.8Confident88.3Confident106 Ų10670.7 Ų70.757%0.56737%0.374SS*.G310 helixtrans-58.8-23.1-178.6-62.2-2000114.5H393 H397 T398H393-D395 VanDerWaalsContact C-N 3.27Å; H393-D395 IonicContact CE1-OD1 3.56Å; H393-D395 IonicContact CE1-OD2 2.99Å; H393-D395 PolarHBondContact CE1-OD2 2.93Å; H393-D395 WeakPolarHBondContact ND1-CB 3.49Å; H393-D395 PolarHBondContact ND1-N 3.48Å; H393-D395 IonicContact ND1-OD1 3.61Å; H393-D395 IonicContact ND1-OD2 3.2Å; H393-D395 PolarHBondContact O-N 3.45Å; D395-H397 VanDerWaalsContact C-N 3.32Å; D395-T398 PolarHBondContact O-OG1 3.15Å
396R86.7Confident87.9Confident139 Ų13977.8 Ų77.853%0.52541%0.405SS..G310 helixtrans-80.3-15.1179.5-65.8-170.483.8175.87.3113.7L390 H393 P394L390-R396 WeakPolarHBondContact O-CD 3.36Å; L390-R396 PolarHBondContact O-NH1 3.19Å; H393-R396 PolarHBondContact O-N 2.95Å; P394-R396 PolarHBondContact O-N 3.24Å
397H84.5Confident87.5Confident32 Ų3275.1 Ų75.115%0.14840%0.398CS..SBendtrans-121.312.7-171.7-55-69.7000112.4L391 H393 P394 D395 S399 A400 V405 K408L391-H397 PolarHBondContact O-NE2 3.26Å; H393-H397 PolarHBondContact O-CD2 3.16Å; P394-H397 PolarHBondContact O-N 3.14Å; D395-H397 VanDerWaalsContact C-N 3.32Å; H397-S399 PolarHBondContact O-N 2.93Å; H397-S399 VanDerWaalsContact O-N 3.1Å; H397-A400 HydrophobicContact CB-CB 4.42Å; H397-A400 VanDerWaalsContact O-CB 3.32Å; H397-A400 WeakPolarHBondContact O-CB 3.46Å; H397-A400 PolarHBondContact O-N 3.26Å; H397-V405 VanDerWaalsContact O-CG2 3.3Å; H397-V405 WeakPolarHBondContact O-CG2 3.49Å; H397-K408 HydrophobicContact CB-CB 4.45Å; H397-K408 HydrophobicContact CB-CG 4.21Å
398T82Confident87.3Confident111 Ų11169.4 Ų69.468%0.68137%0.373SS*.THydrogen-bonded Turntrans-58.8-23.5-179.149.40000114.2P394 D395P394-T398 PolarHBondContact O-N 3.2Å; D395-T398 PolarHBondContact O-OG1 3.15Å
399S85.7Confident87.1Confident118 Ų11872.2 Ų72.283%0.82538%0.384SS*.THydrogen-bonded Turntrans-95.2-0.417756.80000114.6H397H397-S399 PolarHBondContact O-N 2.93Å; H397-S399 VanDerWaalsContact O-N 3.1Å
400A87.2Confident86.8Confident35 Ų3578.9 Ų78.929%0.28941%0.409SS..SBendtrans-80168.3177.800000111.8H397 T404 V405H397-A400 HydrophobicContact CB-CB 4.42Å; H397-A400 VanDerWaalsContact O-CB 3.32Å; H397-A400 WeakPolarHBondContact O-CB 3.46Å; H397-A400 PolarHBondContact O-N 3.26Å; A400-T404 HydrophobicContact CB-CG2 3.68Å; A400-V405 HydrophobicContact CB-CG2 4.24Å
401D89.5Confident86.6Confident91 Ų9179 Ų7949%0.48741%0.408SS..  trans-66.3157.3172.466.992.5000111.8A403 T404 V405D401-A403 PolarHBondContact O-N 2.99Å; D401-A403 WeakPolarHBondContact OD1-CB 3.32Å; D401-A403 PolarHBondContact OD1-N 3.45Å; D401-A403 VanDerWaalsContact OD1-N 3.13Å; D401-T404 VanDerWaalsContact CG-OG1 3.3Å; D401-T404 WeakPolarHBondContact O-CB 2.98Å; D401-T404 PolarHBondContact O-N 3.08Å; D401-T404 PolarHBondContact OD1-N 3.03Å; D401-T404 PolarHBondContact OD1-OG1 3.42Å; D401-T404 VanDerWaalsContact OD2-CB 3.26Å; D401-T404 WeakPolarHBondContact OD2-CB 3.45Å; D401-T404 PolarHBondContact OD2-OG1 3.45Å; D401-V405 WeakPolarHBondContact O-CG2 3.04Å; D401-V405 PolarHBondContact O-N 3.41Å
402E86.4Confident86.6Confident169 Ų16976 Ų7679%0.7939%0.391SS*.Hα-helixtrans-55.7-37.3-175.5-170.2-175.7169.600113.1K406E402-K406 WeakPolarHBondContact O-CB 3.27Å; E402-K406 PolarHBondContact O-N 2.93Å
403A84.4Confident86.5Confident72 Ų7280 Ų8060%0.59541%0.41SS*.Hα-helixtrans-68.2-42.7178.900000110.9D401 K406 E407D401-A403 PolarHBondContact O-N 2.99Å; D401-A403 WeakPolarHBondContact OD1-CB 3.32Å; D401-A403 PolarHBondContact OD1-N 3.45Å; D401-A403 VanDerWaalsContact OD1-N 3.13Å; A403-K406 PolarHBondContact O-N 2.94Å; A403-E407 WeakPolarHBondContact O-CB 3.39Å; A403-E407 PolarHBondContact O-N 3.04Å
404T85.3Confident86.3Confident39 Ų3982.5 Ų82.524%0.23942%0.422CS..Hα-helixtrans-62.8-46.9174.3-63.30000111.7A400 D401 K406 E407 K408A400-T404 HydrophobicContact CB-CG2 3.68Å; D401-T404 VanDerWaalsContact CG-OG1 3.3Å; D401-T404 WeakPolarHBondContact O-CB 2.98Å; D401-T404 PolarHBondContact O-N 3.08Å; D401-T404 PolarHBondContact OD1-N 3.03Å; D401-T404 PolarHBondContact OD1-OG1 3.42Å; D401-T404 VanDerWaalsContact OD2-CB 3.26Å; D401-T404 WeakPolarHBondContact OD2-CB 3.45Å; D401-T404 PolarHBondContact OD2-OG1 3.45Å; T404-K406 VanDerWaalsContact C-N 3.32Å; T404-K406 PolarHBondContact O-N 3.4Å; T404-E407 PolarHBondContact O-N 3.46Å; T404-K408 HydrophobicContact CG2-CG 4.18Å; T404-K408 VanDerWaalsContact O-CG 3.24Å; T404-K408 WeakPolarHBondContact O-CG 3.36Å; T404-K408 PolarHBondContact O-N 3.3Å
405V86.6Confident86.6Confident37 Ų3780.8 Ų80.822%0.22441%0.41CS..Hα-helixtrans-55.5-50177.7176.10000110.5H397 A400 D401 E407 K408 E409H397-V405 VanDerWaalsContact O-CG2 3.3Å; H397-V405 WeakPolarHBondContact O-CG2 3.49Å; A400-V405 HydrophobicContact CB-CG2 4.24Å; D401-V405 WeakPolarHBondContact O-CG2 3.04Å; D401-V405 PolarHBondContact O-N 3.41Å; V405-E407 VanDerWaalsContact C-N 3.32Å; V405-E407 PolarHBondContact O-N 3.16Å; V405-K408 PolarHBondContact O-N 3.4Å; V405-E409 HydrophobicContact CG1-CG 4.35Å; V405-E409 WeakPolarHBondContact O-CG 3.34Å; V405-E409 PolarHBondContact O-N 3.01Å
406K85.6Confident86.8Confident150 Ų15075.8 Ų75.865%0.65238%0.384SS*.Hα-helixtrans-62-37.6179.6-170.2174.6-176173.50112.8E402 A403 T404 R410E402-K406 WeakPolarHBondContact O-CB 3.27Å; E402-K406 PolarHBondContact O-N 2.93Å; A403-K406 PolarHBondContact O-N 2.94Å; T404-K406 VanDerWaalsContact C-N 3.32Å; T404-K406 PolarHBondContact O-N 3.4Å; K406-R410 WeakPolarHBondContact O-CB 3.49Å; K406-R410 PolarHBondContact O-N 3.41Å; K406-R410 VanDerWaalsContact O-N 3.07Å
407E84.9Confident86.8Confident73 Ų7370.3 Ų70.334%0.34136%0.364SS..Hα-helixtrans-65-45.2174.8-168.1-160.6142.800111.7A403 T404 V405 R410 K411A403-E407 WeakPolarHBondContact O-CB 3.39Å; A403-E407 PolarHBondContact O-N 3.04Å; T404-E407 PolarHBondContact O-N 3.46Å; V405-E407 VanDerWaalsContact C-N 3.32Å; V405-E407 PolarHBondContact O-N 3.16Å; E407-R410 PolarHBondContact O-N 3.49Å; E407-K411 PolarHBondContact O-N 3.15Å; E407-K411 VanDerWaalsContact OE1-CE 3.28Å; E407-K411 WeakPolarHBondContact OE1-CE 3.43Å; E407-K411 IonicContact OE1-NZ 3.08Å; E407-K411 PolarHBondContact OE1-NZ 3.19Å
408K88.8Confident87Confident45 Ų4568.8 Ų68.820%0.19636%0.357CS..Hα-helixtrans-67-42.1-179.4-61.8-67.6-178.1-172.70111.5Y392 H397 T404 V405 R410 K411 F412Y392-K408 HydrophobicContact CD1-CD 3.6Å; Y392-K408 HydrophobicContact CE1-CD 3.93Å; H397-K408 HydrophobicContact CB-CB 4.45Å; H397-K408 HydrophobicContact CB-CG 4.21Å; T404-K408 HydrophobicContact CG2-CG 4.18Å; T404-K408 VanDerWaalsContact O-CG 3.24Å; T404-K408 WeakPolarHBondContact O-CG 3.36Å; T404-K408 PolarHBondContact O-N 3.3Å; V405-K408 PolarHBondContact O-N 3.4Å; K408-R410 VanDerWaalsContact C-N 3.33Å; K408-R410 PolarHBondContact O-N 3.07Å; K408-K411 PolarHBondContact O-N 3.28Å; K408-F412 WeakPolarHBondContact O-CB 3.37Å; K408-F412 PolarHBondContact O-N 3.45Å
409E87.6Confident87.5Confident80 Ų8064.7 Ų64.737%0.37433%0.329SS..Hα-helixtrans-60.1-41.8173.2-74.4-177.1169.700112.3P394 V405 F412 K413P394-E409 HydrophobicContact CG-CG 4.49Å; V405-E409 HydrophobicContact CG1-CG 4.35Å; V405-E409 WeakPolarHBondContact O-CG 3.34Å; V405-E409 PolarHBondContact O-N 3.01Å; E409-F412 PolarHBondContact O-N 2.9Å; E409-K413 WeakPolarHBondContact O-CG 3.47Å; E409-K413 PolarHBondContact O-N 3.45Å; E409-K413 VanDerWaalsContact O-N 3.09Å
410R85.9Confident87.7Confident139 Ų13959.7 Ų59.753%0.52529%0.294SS..Hα-helixtrans-61.3-49.1174.9-171.2-174.271-147.5-7110.9K406 E407 K408 F412 K413 E414K406-R410 WeakPolarHBondContact O-CB 3.49Å; K406-R410 PolarHBondContact O-N 3.41Å; K406-R410 VanDerWaalsContact O-N 3.07Å; E407-R410 PolarHBondContact O-N 3.49Å; K408-R410 VanDerWaalsContact C-N 3.33Å; K408-R410 PolarHBondContact O-N 3.07Å; R410-F412 VanDerWaalsContact C-N 3.32Å; R410-F412 PolarHBondContact O-N 3.32Å; R410-K413 WeakPolarHBondContact O-CB 3.32Å; R410-K413 PolarHBondContact O-N 3.47Å; R410-E414 WeakPolarHBondContact CG-OE1 3.48Å; R410-E414 IonicContact NE-OE1 2.66Å; R410-E414 PolarHBondContact NE-OE1 3.05Å; R410-E414 WeakPolarHBondContact O-CG 3.39Å; R410-E414 PolarHBondContact O-N 3.36Å
411K86.6Confident87.8Confident52 Ų5258.1 Ų58.123%0.22628%0.281CS..Hα-helixtrans-59.6-41.5177.2-75.9-178.8173167.10112Y392 E407 K408 K413 E414 I415Y392-K411 HydrophobicContact CD1-CB 3.77Å; Y392-K411 HydrophobicContact CD1-CD 3.82Å; Y392-K411 HydrophobicContact CD1-CG 4.44Å; Y392-K411 HydrophobicContact CE1-CB 4.11Å; Y392-K411 HydrophobicContact CE1-CD 3.3Å; Y392-K411 HydrophobicContact CE1-CG 4.33Å; Y392-K411 HydrophobicContact CG-CB 4.01Å; E407-K411 PolarHBondContact O-N 3.15Å; E407-K411 VanDerWaalsContact OE1-CE 3.28Å; E407-K411 WeakPolarHBondContact OE1-CE 3.43Å; E407-K411 IonicContact OE1-NZ 3.08Å; E407-K411 PolarHBondContact OE1-NZ 3.19Å; K408-K411 PolarHBondContact O-N 3.28Å; K411-K413 VanDerWaalsContact C-N 3.32Å; K411-K413 PolarHBondContact O-N 2.81Å; K411-E414 PolarHBondContact O-N 3.02Å; K411-I415 WeakPolarHBondContact O-CB 3.5Å; K411-I415 VanDerWaalsContact O-CD1 3.28Å; K411-I415 WeakPolarHBondContact O-CD1 3.42Å; K411-I415 VanDerWaalsContact O-CG1 3.23Å; K411-I415 WeakPolarHBondContact O-CG1 3.27Å; K411-I415 PolarHBondContact O-N 3.19Å
412F90.8Very high87.9Confident14 Ų1453.8 Ų53.86%0.06126%0.258CS..Hα-helixtrans-60.4-40.8176.9-173-101.2000112.4A389 H393 K408 E409 R410 G416 A449 F453A389-F412 HydrophobicContact CB-CE2 4.16Å; A389-F412 WeakPolarHBondContact O-CE2 3.33Å; H393-F412 HydrophobicContact CB-CE2 4.33Å; H393-F412 AromaticContact CD2-CE2 3.87Å; H393-F412 AromaticContact CD2-CZ 3.87Å; K408-F412 WeakPolarHBondContact O-CB 3.37Å; K408-F412 PolarHBondContact O-N 3.45Å; E409-F412 PolarHBondContact O-N 2.9Å; R410-F412 VanDerWaalsContact C-N 3.32Å; R410-F412 PolarHBondContact O-N 3.32Å; F412-G416 PolarHBondContact O-N 2.87Å; F412-G416 VanDerWaalsContact O-N 3.07Å; F412-A449 HydrophobicContact CD1-CB 4Å; F412-A449 HydrophobicContact CE1-CB 3.87Å; F412-F453 AromaticContact CE2-CD2 3.82Å; F412-F453 HydrophobicContact CE2-CD2 3.82Å; F412-F453 HydrophobicContact CE2-CE2 4.33Å; F412-F453 HydrophobicContact CE2-CG 4.38Å; F412-F453 HydrophobicContact CZ-CB 3.83Å; F412-F453 AromaticContact CZ-CD2 3.82Å; F412-F453 HydrophobicContact CZ-CD2 3.82Å; F412-F453 AromaticContact CZ-CG 3.91Å; F412-F453 HydrophobicContact CZ-CG 3.91Å
413K87.3Confident88.1Confident131 Ų13147.9 Ų47.957%0.5724%0.235SC*.Hα-helixtrans-64.1-48.5173.8-70.3175.3-177.2176.60111.9E409 R410 K411 I415 G416 E417E409-K413 WeakPolarHBondContact O-CG 3.47Å; E409-K413 PolarHBondContact O-N 3.45Å; E409-K413 VanDerWaalsContact O-N 3.09Å; R410-K413 WeakPolarHBondContact O-CB 3.32Å; R410-K413 PolarHBondContact O-N 3.47Å; K411-K413 VanDerWaalsContact C-N 3.32Å; K411-K413 PolarHBondContact O-N 2.81Å; K413-I415 VanDerWaalsContact C-N 3.29Å; K413-I415 PolarHBondContact O-N 3.18Å; K413-G416 PolarHBondContact O-N 3.34Å; K413-G416 VanDerWaalsContact O-N 3.14Å; K413-E417 PolarHBondContact O-N 3.13Å
414E86.1Confident88.4Confident59 Ų5947.2 Ų47.228%0.27622%0.221SC..Hα-helixtrans-58-40.2177.7-70.5167.1-173.100112I369 R410 K411 E417 A418I369-E414 HydrophobicContact CG2-CB 4.19Å; R410-E414 WeakPolarHBondContact CG-OE1 3.48Å; R410-E414 IonicContact NE-OE1 2.66Å; R410-E414 PolarHBondContact NE-OE1 3.05Å; R410-E414 WeakPolarHBondContact O-CG 3.39Å; R410-E414 PolarHBondContact O-N 3.36Å; K411-E414 PolarHBondContact O-N 3.02Å; E414-E417 PolarHBondContact O-N 3.22Å; E414-A418 WeakPolarHBondContact O-CB 3.49Å; E414-A418 PolarHBondContact O-N 3.4Å
415I90Very high88.7Confident5 Ų549.7 Ų49.73%0.02624%0.239CC..Hα-helixtrans-66.7-41176.6-71.5157.4000111.6I369 L370 Y385 Y392 K411 K413 E417 A418 Y419I369-I415 HydrophobicContact CG2-CG1 4.19Å; L370-I415 HydrophobicContact CD2-CB 4.5Å; L370-I415 HydrophobicContact CD2-CG2 3.87Å; Y385-I415 HydrophobicContact CD2-CG2 3.62Å; Y385-I415 HydrophobicContact CE2-CG2 3.92Å; Y392-I415 HydrophobicContact CD2-CD1 3.18Å; Y392-I415 HydrophobicContact CE2-CD1 3.79Å; Y392-I415 HydrophobicContact CG-CD1 3.91Å; K411-I415 WeakPolarHBondContact O-CB 3.5Å; K411-I415 VanDerWaalsContact O-CD1 3.28Å; K411-I415 WeakPolarHBondContact O-CD1 3.42Å; K411-I415 VanDerWaalsContact O-CG1 3.23Å; K411-I415 WeakPolarHBondContact O-CG1 3.27Å; K411-I415 PolarHBondContact O-N 3.19Å; K413-I415 VanDerWaalsContact C-N 3.29Å; K413-I415 PolarHBondContact O-N 3.18Å; I415-E417 VanDerWaalsContact C-N 3.34Å; I415-A418 PolarHBondContact O-N 2.85Å; I415-Y419 WeakPolarHBondContact O-CB 3.32Å; I415-Y419 PolarHBondContact O-N 3.29Å
416G89.9Confident88.8Confident1 Ų152.3 Ų52.31%0.0125%0.254CS..Hα-helixtrans-62.5-41.1174.600000112.5F412 K413 S420 L452F412-G416 PolarHBondContact O-N 2.87Å; F412-G416 VanDerWaalsContact O-N 3.07Å; K413-G416 PolarHBondContact O-N 3.34Å; K413-G416 VanDerWaalsContact O-N 3.14Å; G416-S420 WeakPolarHBondContact O-CB 3.48Å; G416-S420 PolarHBondContact O-N 3.07Å; G416-L452 WeakPolarHBondContact O-CD2 3.34Å
417E86.9Confident89Confident23 Ų2348.3 Ų48.311%0.10724%0.237CC..Hα-helixtrans-62.8-51.1173.2-168.4-17614700112.5R364 Y366 K413 E414 I415 Y419 S420 I421 F442R364-E417 IonicContact NH1-OE1 2.61Å; R364-E417 PolarHBondContact NH1-OE1 2.7Å; R364-E417 IonicContact NH1-OE2 2.86Å; Y366-E417 HydrophobicContact CE1-CB 4.43Å; Y366-E417 HydrophobicContact CE1-CG 3.82Å; Y366-E417 PolarHBondContact OH-OE1 3.03Å; K413-E417 PolarHBondContact O-N 3.13Å; E414-E417 PolarHBondContact O-N 3.22Å; I415-E417 VanDerWaalsContact C-N 3.34Å; E417-Y419 VanDerWaalsContact C-N 3.28Å; E417-Y419 PolarHBondContact O-N 3.39Å; E417-S420 PolarHBondContact O-N 3.05Å; E417-S420 PolarHBondContact O-OG 3.14Å; E417-I421 WeakPolarHBondContact O-CG1 3.29Å; E417-I421 PolarHBondContact O-N 3.38Å; E417-F442 HydrophobicContact CB-CD2 3.87Å; E417-F442 HydrophobicContact CB-CE2 3.71Å; E417-F442 HydrophobicContact CB-CZ 4.28Å; E417-F442 HydrophobicContact CG-CD2 3.6Å; E417-F442 HydrophobicContact CG-CE2 4Å; E417-F442 HydrophobicContact CG-CG 4.19Å
418A88.9Confident89.3Confident0 Ų046.6 Ų46.60%023%0.227CC..Hα-helixtrans-57.8-42.4177.100000112.2Y366 I369 L370 E414 I415 L422Y366-A418 VanDerWaalsContact CD1-CA 3.44Å; Y366-A418 HydrophobicContact CD1-CB 3.65Å; Y366-A418 HydrophobicContact CG-CB 4.15Å; I369-A418 HydrophobicContact CB-CB 4.06Å; I369-A418 HydrophobicContact CG2-CB 3.78Å; L370-A418 HydrophobicContact CD1-CB 4.23Å; L370-A418 HydrophobicContact CD2-CB 4.17Å; L370-A418 HydrophobicContact CG-CB 3.81Å; E414-A418 WeakPolarHBondContact O-CB 3.49Å; E414-A418 PolarHBondContact O-N 3.4Å; I415-A418 PolarHBondContact O-N 2.85Å; A418-L422 VanDerWaalsContact O-CB 3.28Å; A418-L422 WeakPolarHBondContact O-CB 3.23Å; A418-L422 VanDerWaalsContact O-CG 3.23Å; A418-L422 WeakPolarHBondContact O-CG 3.41Å; A418-L422 PolarHBondContact O-N 3.23Å
419Y93.1Very high89.2Confident25 Ų2553 Ų5310%0.09825%0.25CS..Hα-helixtrans-70.8-38.1178.4-178.2-105000112.9I381 K382 Y385 I415 E417 I421 L422 S423 L452 V456I381-Y419 HydrophobicContact CG2-CD2 3.86Å; I381-Y419 HydrophobicContact CG2-CE2 4.16Å; K382-Y419 HydrophobicContact CG-CE2 4.07Å; Y385-Y419 AromaticContact CD1-CD1 3.95Å; Y385-Y419 HydrophobicContact CD1-CD1 3.95Å; Y385-Y419 HydrophobicContact CD1-CD2 4.09Å; Y385-Y419 HydrophobicContact CD1-CE1 4.03Å; Y385-Y419 HydrophobicContact CD1-CE2 4.17Å; Y385-Y419 AromaticContact CD1-CG 3.96Å; Y385-Y419 HydrophobicContact CD1-CG 3.96Å; Y385-Y419 AromaticContact CD2-CD1 3.97Å; Y385-Y419 HydrophobicContact CD2-CD1 3.97Å; Y385-Y419 HydrophobicContact CD2-CD2 4.08Å; Y385-Y419 AromaticContact CD2-CG 3.52Å; Y385-Y419 HydrophobicContact CD2-CG 3.52Å; Y385-Y419 HydrophobicContact CE1-CD1 4.14Å; Y385-Y419 HydrophobicContact CE1-CE1 4.24Å; Y385-Y419 HydrophobicContact CE2-CD1 4.15Å; Y385-Y419 HydrophobicContact CE2-CG 4.12Å; Y385-Y419 AromaticContact CG-CD1 3.87Å; Y385-Y419 HydrophobicContact CG-CD1 3.87Å; Y385-Y419 AromaticContact CG-CD2 3.54Å; Y385-Y419 HydrophobicContact CG-CD2 3.54Å; Y385-Y419 HydrophobicContact CG-CE1 4.34Å; Y385-Y419 HydrophobicContact CG-CE2 4.06Å; Y385-Y419 AromaticContact CG-CG 3.42Å; Y385-Y419 HydrophobicContact CG-CG 3.42Å; Y385-Y419 VanDerWaalsContact CG-CG 3.42Å; I415-Y419 WeakPolarHBondContact O-CB 3.32Å; I415-Y419 PolarHBondContact O-N 3.29Å; E417-Y419 VanDerWaalsContact C-N 3.28Å; E417-Y419 PolarHBondContact O-N 3.39Å; Y419-I421 PolarHBondContact O-N 2.6Å; Y419-L422 PolarHBondContact O-N 3.19Å; Y419-S423 WeakPolarHBondContact O-CB 2.95Å; Y419-S423 PolarHBondContact O-N 3.33Å; Y419-S423 PolarHBondContact O-OG 2.81Å; Y419-L452 HydrophobicContact CD1-CD1 3.79Å; Y419-L452 HydrophobicContact CD1-CD2 3.51Å; Y419-L452 HydrophobicContact CD1-CG 3.82Å; Y419-L452 HydrophobicContact CE1-CD1 3.82Å; Y419-L452 HydrophobicContact CE1-CD2 4.35Å; Y419-L452 HydrophobicContact CE1-CG 4.17Å; Y419-L452 HydrophobicContact CG-CD2 4.37Å; Y419-V456 HydrophobicContact CE1-CG2 4.24Å
420S89.7Confident89.1Confident14 Ų1452.3 Ų52.310%0.09825%0.247CC..Hα-helixtrans-63.7-29.1179.178.30000112.7G416 E417 F442G416-S420 WeakPolarHBondContact O-CB 3.48Å; G416-S420 PolarHBondContact O-N 3.07Å; E417-S420 PolarHBondContact O-N 3.05Å; E417-S420 PolarHBondContact O-OG 3.14Å; S420-F442 WeakPolarHBondContact OG-CE2 3.41Å
421I89.3Confident89.1Confident1 Ų147.7 Ų47.71%0.00523%0.23CC..Hα-helixtrans-77.2-57171.6-64.1-62.4000111.6Y366 E417 Y419 S423 R428 Y431 L436 A441Y366-I421 HydrophobicContact CD2-CB 4.06Å; Y366-I421 HydrophobicContact CD2-CG1 4Å; Y366-I421 HydrophobicContact CD2-CG2 3.85Å; Y366-I421 HydrophobicContact CE2-CB 4.22Å; Y366-I421 HydrophobicContact CE2-CD1 4.49Å; Y366-I421 HydrophobicContact CE2-CG1 3.64Å; Y366-I421 HydrophobicContact CE2-CG2 4.19Å; E417-I421 WeakPolarHBondContact O-CG1 3.29Å; E417-I421 PolarHBondContact O-N 3.38Å; Y419-I421 PolarHBondContact O-N 2.6Å; I421-S423 PolarHBondContact O-N 3.28Å; I421-R428 PolarHBondContact O-N 2.99Å; I421-Y431 HydrophobicContact CG2-CD1 4.29Å; I421-Y431 HydrophobicContact CG2-CD2 4.35Å; I421-Y431 HydrophobicContact CG2-CG 3.86Å; I421-L436 HydrophobicContact CD1-CD2 3.99Å; I421-A441 HydrophobicContact CD1-CB 3Å; I421-A441 HydrophobicContact CG1-CB 4.19Å
422L91.1Very high89.1Confident1 Ų148.9 Ų48.91%0.00524%0.239CC..Hα-helixtrans-76.2-23.4-166.8-66.3177.7000113.2Y367 L370 I381 A418 Y419 R428 Y431Y367-L422 HydrophobicContact CD1-CD1 4.05Å; Y367-L422 HydrophobicContact CD1-CD2 4.24Å; Y367-L422 HydrophobicContact CD2-CD2 4.2Å; Y367-L422 HydrophobicContact CE1-CD1 4.3Å; Y367-L422 HydrophobicContact CE1-CD2 3.76Å; Y367-L422 HydrophobicContact CE2-CD2 3.73Å; Y367-L422 HydrophobicContact CG-CD1 4.26Å; Y367-L422 HydrophobicContact CG-CD2 4.45Å; Y367-L422 VanDerWaalsContact CZ-CD2 3.49Å; L370-L422 HydrophobicContact CD1-CD1 3.86Å; I381-L422 HydrophobicContact CD1-CB 4.08Å; I381-L422 HydrophobicContact CG1-CB 4.4Å; I381-L422 HydrophobicContact CG2-CB 3.86Å; A418-L422 VanDerWaalsContact O-CB 3.28Å; A418-L422 WeakPolarHBondContact O-CB 3.23Å; A418-L422 VanDerWaalsContact O-CG 3.23Å; A418-L422 WeakPolarHBondContact O-CG 3.41Å; A418-L422 PolarHBondContact O-N 3.23Å; Y419-L422 PolarHBondContact O-N 3.19Å; L422-R428 HydrophobicContact CD2-CG 4.14Å; L422-Y431 HydrophobicContact CD2-CD1 4.1Å; L422-Y431 HydrophobicContact CD2-CE1 4.37Å
423S91.3Very high88.5Confident44 Ų4453 Ų5331%0.30826%0.262SS..THydrogen-bonded Turntrans-78.3-23.8-179.864.90000114.1Y419 I421 P425Y419-S423 WeakPolarHBondContact O-CB 2.95Å; Y419-S423 PolarHBondContact O-N 3.33Å; Y419-S423 PolarHBondContact O-OG 2.81Å; I421-S423 PolarHBondContact O-N 3.28Å; S423-P425 WeakPolarHBondContact O-CD 3.35Å
424D90.2Very high87.9Confident58 Ų5850 Ų5031%0.3127%0.267SS..SBendtrans-90115.9175.4179.8-22.9000109.2V426 K427 R428D424-V426 PolarHBondContact O-N 3.04Å; D424-V426 VanDerWaalsContact O-N 3.13Å; D424-V426 WeakPolarHBondContact OD1-CB 3.47Å; D424-V426 PolarHBondContact OD1-N 3.25Å; D424-K427 HydrophobicContact CB-CB 4.02Å; D424-K427 HydrophobicContact CB-CD 4.07Å; D424-K427 HydrophobicContact CB-CG 4.06Å; D424-K427 PolarHBondContact O-N 3.11Å; D424-K427 PolarHBondContact OD1-N 3.23Å; D424-R428 VanDerWaalsContact O-CB 3.23Å; D424-R428 WeakPolarHBondContact O-CB 3.48Å; D424-R428 PolarHBondContact O-N 3.48Å
425P91.2Very high87.2Confident92 Ų9253.2 Ų53.260%0.59728%0.283SS*.Hα-helixtrans-56.4-30.1-178.5-25.534.7000114.5S423 R429S423-P425 WeakPolarHBondContact O-CD 3.35Å; P425-R429 WeakPolarHBondContact O-CB 3.46Å; P425-R429 PolarHBondContact O-N 2.88Å
426V90.2Very high86.2Confident92 Ų9254.1 Ų54.156%0.55829%0.287SS*.Hα-helixtrans-75.5-52.9179.3-179.50000109.8D424 R428 R429 Q430D424-V426 PolarHBondContact O-N 3.04Å; D424-V426 VanDerWaalsContact O-N 3.13Å; D424-V426 WeakPolarHBondContact OD1-CB 3.47Å; D424-V426 PolarHBondContact OD1-N 3.25Å; V426-R428 VanDerWaalsContact C-N 3.3Å; V426-R428 PolarHBondContact O-N 3.14Å; V426-R429 PolarHBondContact O-N 3.47Å; V426-R429 VanDerWaalsContact O-N 3.16Å; V426-Q430 WeakPolarHBondContact O-CG 3.38Å; V426-Q430 PolarHBondContact O-N 3.27Å
427K90.2Very high84.7Confident66 Ų6656.6 Ų56.629%0.28731%0.305SS..Hα-helixtrans-62.1-39.1178.4-65.4-178.1-177.4-176.10112.1D424 Q430 Y431 L436D424-K427 HydrophobicContact CB-CB 4.02Å; D424-K427 HydrophobicContact CB-CD 4.07Å; D424-K427 HydrophobicContact CB-CG 4.06Å; D424-K427 PolarHBondContact O-N 3.11Å; D424-K427 PolarHBondContact OD1-N 3.23Å; K427-Q430 PolarHBondContact O-N 3.37Å; K427-Y431 WeakPolarHBondContact O-CB 3.33Å; K427-Y431 PolarHBondContact O-N 3.43Å; K427-L436 HydrophobicContact CB-CD1 4.31Å; K427-L436 HydrophobicContact CG-CD1 4.36Å
428R90Very high83.3Confident36 Ų3655.8 Ų55.814%0.13630%0.302CS..Hα-helixtrans-59.5-47.3174.4-179.5-179.8173.6177.84.5111.1Y367 K374 A376 I421 L422 D424 V426 Q430 Y431 D432Y367-R428 PolarHBondContact OH-NE 2.7Å; Y367-R428 PolarHBondContact OH-NH2 3.45Å; K374-R428 PolarHBondContact O-NH2 3.13Å; A376-R428 VanDerWaalsContact O-CZ 3.27Å; A376-R428 PolarHBondContact O-NH1 2.99Å; A376-R428 PolarHBondContact O-NH2 2.9Å; I421-R428 PolarHBondContact O-N 2.99Å; L422-R428 HydrophobicContact CD2-CG 4.14Å; D424-R428 VanDerWaalsContact O-CB 3.23Å; D424-R428 WeakPolarHBondContact O-CB 3.48Å; D424-R428 PolarHBondContact O-N 3.48Å; V426-R428 VanDerWaalsContact C-N 3.3Å; V426-R428 PolarHBondContact O-N 3.14Å; R428-Q430 VanDerWaalsContact C-N 3.34Å; R428-Q430 PolarHBondContact O-N 2.98Å; R428-Y431 PolarHBondContact O-N 2.86Å; R428-D432 IonicContact NE-OD2 3.5Å; R428-D432 WeakPolarHBondContact O-CB 3.49Å; R428-D432 PolarHBondContact O-N 3.16Å
429R87.3Confident81.7Confident180 Ų18060.6 Ų60.668%0.67933%0.328SS*.Hα-helixtrans-62-43.2177.3-177.1-178.3-72.5172.6-3.1111.4P425 V426 D432 N433P425-R429 WeakPolarHBondContact O-CB 3.46Å; P425-R429 PolarHBondContact O-N 2.88Å; V426-R429 PolarHBondContact O-N 3.47Å; V426-R429 VanDerWaalsContact O-N 3.16Å; R429-D432 PolarHBondContact O-N 3.42Å; R429-N433 VanDerWaalsContact O-CB 3.31Å; R429-N433 WeakPolarHBondContact O-CB 3.35Å; R429-N433 PolarHBondContact O-N 2.87Å; R429-N433 PolarHBondContact O-OD1 3.04Å
430Q85.5Confident79.7Confident66 Ų6664.3 Ų64.331%0.30835%0.349SS..Hα-helixtrans-63.5-42.3176.9-68.7175.3-52.300111.5V426 K427 R428 N433 G434 E435 L436V426-Q430 WeakPolarHBondContact O-CG 3.38Å; V426-Q430 PolarHBondContact O-N 3.27Å; K427-Q430 PolarHBondContact O-N 3.37Å; R428-Q430 VanDerWaalsContact C-N 3.34Å; R428-Q430 PolarHBondContact O-N 2.98Å; Q430-N433 CarbonylContact O-C 3.43Å; Q430-N433 PolarHBondContact O-N 3.4Å; Q430-G434 PolarHBondContact O-N 3.46Å; Q430-G434 VanDerWaalsContact O-N 3.08Å; Q430-E435 HydrophobicContact CB-CB 4.1Å; Q430-E435 WeakPolarHBondContact O-CB 3.39Å; Q430-E435 PolarHBondContact O-N 3.48Å; Q430-L436 HydrophobicContact CB-CB 3.92Å; Q430-L436 HydrophobicContact CB-CD1 3.4Å; Q430-L436 HydrophobicContact CB-CG 4.22Å; Q430-L436 HydrophobicContact CG-CD1 4.1Å; Q430-L436 PolarHBondContact O-N 3.38Å
431Y86.5Confident77.8Confident41 Ų4164.3 Ų64.316%0.16135%0.35CS..Hα-helixtrans-62.4-46.1173.2175.9-106.4000112.3R364 D365 Y366 Y367 I421 L422 K427 R428 N433 G434R364-Y431 PolarHBondContact O-OH 3.15Å; R364-Y431 VanDerWaalsContact O-OH 3.12Å; D365-Y431 WeakPolarHBondContact CA-OH 3.23Å; Y366-Y431 HydrophobicContact CD2-CD1 4.29Å; Y366-Y431 AromaticContact CD2-CD2 3.67Å; Y366-Y431 HydrophobicContact CD2-CD2 3.67Å; Y366-Y431 AromaticContact CD2-CE1 3.93Å; Y366-Y431 HydrophobicContact CD2-CE1 3.93Å; Y366-Y431 AromaticContact CD2-CE2 3.27Å; Y366-Y431 HydrophobicContact CD2-CE2 3.27Å; Y366-Y431 HydrophobicContact CD2-CG 4.16Å; Y366-Y431 AromaticContact CD2-CZ 3.41Å; Y366-Y431 VanDerWaalsContact CD2-CZ 3.41Å; Y366-Y431 AromaticContact CE2-CD2 3.89Å; Y366-Y431 HydrophobicContact CE2-CD2 3.89Å; Y366-Y431 AromaticContact CE2-CE2 3.63Å; Y366-Y431 HydrophobicContact CE2-CE2 3.63Å; Y366-Y431 HydrophobicContact CG-CE2 4.31Å; Y366-Y431 PolarHBondContact N-OH 2.92Å; Y367-Y431 AromaticContact CD2-CE1 3.98Å; Y367-Y431 HydrophobicContact CD2-CE1 3.98Å; Y367-Y431 HydrophobicContact CE2-CD1 4.09Å; Y367-Y431 AromaticContact CE2-CE1 3.78Å; Y367-Y431 HydrophobicContact CE2-CE1 3.78Å; I421-Y431 HydrophobicContact CG2-CD1 4.29Å; I421-Y431 HydrophobicContact CG2-CD2 4.35Å; I421-Y431 HydrophobicContact CG2-CG 3.86Å; L422-Y431 HydrophobicContact CD2-CD1 4.1Å; L422-Y431 HydrophobicContact CD2-CE1 4.37Å; K427-Y431 WeakPolarHBondContact O-CB 3.33Å; K427-Y431 PolarHBondContact O-N 3.43Å; R428-Y431 PolarHBondContact O-N 2.86Å; Y431-N433 PolarHBondContact O-N 3.39Å; Y431-G434 PolarHBondContact O-N 3.26Å
432D85.2Confident76.1Confident78 Ų7867.5 Ų67.542%0.41736%0.364SS..Hα-helixtrans-63.2-29.9178-70.5-22.3000112.1Y367 R428 R429Y367-D432 WeakPolarHBondContact CE2-OD1 3.34Å; Y367-D432 VanDerWaalsContact CZ-OD1 3.31Å; Y367-D432 PolarHBondContact OH-OD1 3.45Å; Y367-D432 PolarHBondContact OH-OD2 3.37Å; R428-D432 IonicContact NE-OD2 3.5Å; R428-D432 WeakPolarHBondContact O-CB 3.49Å; R428-D432 PolarHBondContact O-N 3.16Å; R429-D432 PolarHBondContact O-N 3.42Å
433N79.7Confident74Confident101 Ų10170.6 Ų70.654%0.5440%0.396SS..THydrogen-bonded Turntrans-84.4-7174.1-71-4.9000113.9R429 Q430 Y431 E435R429-N433 VanDerWaalsContact O-CB 3.31Å; R429-N433 WeakPolarHBondContact O-CB 3.35Å; R429-N433 PolarHBondContact O-N 2.87Å; R429-N433 PolarHBondContact O-OD1 3.04Å; Q430-N433 CarbonylContact O-C 3.43Å; Q430-N433 PolarHBondContact O-N 3.4Å; Y431-N433 PolarHBondContact O-N 3.39Å; N433-E435 VanDerWaalsContact C-N 3.32Å; N433-E435 HydrophobicContact CB-CG 4Å; N433-E435 PolarHBondContact ND2-OE1 2.86Å; N433-E435 VanDerWaalsContact ND2-OE1 3.14Å
434G72.9Confident71.7Confident67 Ų6777.7 Ų77.769%0.69142%0.424SS*.THydrogen-bonded Turntrans77.111.4-175.300000115.1Q430 Y431 L436Q430-G434 PolarHBondContact O-N 3.46Å; Q430-G434 VanDerWaalsContact O-N 3.08Å; Y431-G434 PolarHBondContact O-N 3.26Å; G434-L436 VanDerWaalsContact C-N 3.35Å
435E71.3Confident69.4Low127 Ų12776.9 Ų76.959%0.59343%0.43SS*.  trans-82.3-12.7179.5-63.2168.6-155.300113.2Q430 N433Q430-E435 HydrophobicContact CB-CB 4.1Å; Q430-E435 WeakPolarHBondContact O-CB 3.39Å; Q430-E435 PolarHBondContact O-N 3.48Å; N433-E435 VanDerWaalsContact C-N 3.32Å; N433-E435 HydrophobicContact CB-CG 4Å; N433-E435 PolarHBondContact ND2-OE1 2.86Å; N433-E435 VanDerWaalsContact ND2-OE1 3.14Å
436L69.5Low67.1Low24 Ų2480.3 Ų80.313%0.12644%0.444CS..  trans-127109.6-175.7-125.3145.3000110I421 K427 Q430 G434 D440 A441I421-L436 HydrophobicContact CD1-CD2 3.99Å; K427-L436 HydrophobicContact CB-CD1 4.31Å; K427-L436 HydrophobicContact CG-CD1 4.36Å; Q430-L436 HydrophobicContact CB-CB 3.92Å; Q430-L436 HydrophobicContact CB-CD1 3.4Å; Q430-L436 HydrophobicContact CB-CG 4.22Å; Q430-L436 HydrophobicContact CG-CD1 4.1Å; Q430-L436 PolarHBondContact O-N 3.38Å; G434-L436 VanDerWaalsContact C-N 3.35Å; L436-D440 HydrophobicContact CD2-CB 4.43Å; L436-A441 HydrophobicContact CD2-CB 3.43Å; L436-A441 VanDerWaalsContact CD2-CB 3.43Å
437S59.6Low65.4Low53 Ų5378.8 Ų78.837%0.37143%0.434SS..  trans-88.4154.4172.781.40000110.1D439 D440S437-D439 PolarHBondContact O-N 3.38Å; S437-D439 VanDerWaalsContact O-N 3.08Å; S437-D440 PolarHBondContact O-N 3.06Å; S437-D440 VanDerWaalsContact O-N 3.1Å; S437-D440 PolarHBondContact OG-OD2 3.25Å
438G56.5Low64.3Low5 Ų578.3 Ų78.35%0.05244%0.439CS..Hα-helixtrans-62.5-22.5-168.200000116.6Y366Y366-G438 WeakPolarHBondContact OH-CA 3.4Å
439D55.2Low63.2Low102 Ų10277 Ų7755%0.54544%0.436SS..Hα-helixtrans-80.8-28178.6-74.6-21.1000112.6S437 A441S437-D439 PolarHBondContact O-N 3.38Å; S437-D439 VanDerWaalsContact O-N 3.08Å; D439-A441 VanDerWaalsContact C-N 3.28Å; D439-A441 PolarHBondContact O-N 3.3Å
440D52.3Low62.5Low102 Ų10273.4 Ų73.455%0.54543%0.427SS..Hα-helixtrans-70.8-25-176.5-64.7-46000112.7L436 S437L436-D440 HydrophobicContact CD2-CB 4.43Å; S437-D440 PolarHBondContact O-N 3.06Å; S437-D440 VanDerWaalsContact O-N 3.1Å; S437-D440 PolarHBondContact OG-OD2 3.25Å
441A50Low62.2Low14 Ų1474.1 Ų74.112%0.11643%0.433CS..Hα-helixtrans-94.9-24.3-170.700000115.4I421 L436 D439I421-A441 HydrophobicContact CD1-CB 3Å; I421-A441 HydrophobicContact CG1-CB 4.19Å; L436-A441 HydrophobicContact CD2-CB 3.43Å; L436-A441 VanDerWaalsContact CD2-CB 3.43Å; D439-A441 VanDerWaalsContact C-N 3.28Å; D439-A441 PolarHBondContact O-N 3.3Å
442F52.5Low61.8Low69 Ų6972.8 Ų72.830%0.30343%0.428SS..Hα-helixtrans-93.2-17.7178.5-124.7-103.9000112E417 S420 V447E417-F442 HydrophobicContact CB-CD2 3.87Å; E417-F442 HydrophobicContact CB-CE2 3.71Å; E417-F442 HydrophobicContact CB-CZ 4.28Å; E417-F442 HydrophobicContact CG-CD2 3.6Å; E417-F442 HydrophobicContact CG-CE2 4Å; E417-F442 HydrophobicContact CG-CG 4.19Å; S420-F442 WeakPolarHBondContact OG-CE2 3.41Å; F442-V447 WeakPolarHBondContact CZ-O 3.47Å
443G48.1Very low61.6Low66 Ų6669.2 Ų69.268%0.6841%0.409SS*.SBendtrans-83.9-17.6-176.100000117.1
444Q42.8Very low61.7Low192 Ų19267.7 Ų67.790%0.89740%0.403SS*.SBendtrans-111.54.9-173.6-80.9-169.42.300116.3
445G41.7Very low62.2Low42 Ų4271.2 Ų71.243%0.43340%0.402SS..SBendtrans-154.4124174.600000110.2V447G445-V447 PolarHBondContact O-N 3.16Å
446N42.9Very low62.6Low164 Ų16466.4 Ų66.488%0.87738%0.381SS*.  trans-69.347.7-168.3-136.90.1000113.9S448 N451N446-S448 PolarHBondContact O-N 2.76Å; N446-S448 VanDerWaalsContact O-N 3.16Å; N446-N451 PolarHBondContact O-ND2 2.95Å
447V54.3Low63.3Low60 Ų6067 Ų6736%0.36438%0.383SS..  trans-86.783176.2-171.60000107.9F442 G445 A449 L452F442-V447 WeakPolarHBondContact CZ-O 3.47Å; G445-V447 PolarHBondContact O-N 3.16Å; V447-A449 PolarHBondContact O-N 3.14Å; V447-L452 HydrophobicContact CG1-CB 3.96Å; V447-L452 HydrophobicContact CG1-CD1 4.22Å
448S65.7Low63.8Low56 Ų5669.8 Ų69.839%0.39240%0.4SS..  trans-53.2140.2164.7173.40000109.3N446 H450 N451 L452N446-S448 PolarHBondContact O-N 2.76Å; N446-S448 VanDerWaalsContact O-N 3.16Å; S448-H450 PolarHBondContact O-N 3.15Å; S448-H450 PolarHBondContact OG-N 3.2Å; S448-N451 WeakPolarHBondContact O-CA 3.35Å; S448-N451 WeakPolarHBondContact O-CB 3.42Å; S448-N451 PolarHBondContact O-N 3.23Å; S448-L452 PolarHBondContact O-N 3.14Å; S448-L452 VanDerWaalsContact O-N 3.11Å
449A67.5Low64.3Low9 Ų971.5 Ų71.57%0.07442%0.417CS..Hα-helixtrans-51.1-29.9173.100000111.8F412 V447 F453F412-A449 HydrophobicContact CD1-CB 4Å; F412-A449 HydrophobicContact CE1-CB 3.87Å; V447-A449 PolarHBondContact O-N 3.14Å; A449-F453 WeakPolarHBondContact O-CB 3.43Å; A449-F453 PolarHBondContact O-N 3.27Å
450H73.2Confident64.7Low104 Ų10470 Ų7048%0.48141%0.407SS..Hα-helixtrans-68.3-42.5173.5-164.270.2000112.9S448 L452 F453 T454S448-H450 PolarHBondContact O-N 3.15Å; S448-H450 PolarHBondContact OG-N 3.2Å; H450-L452 VanDerWaalsContact C-N 3.34Å; H450-L452 PolarHBondContact O-N 3.25Å; H450-F453 WeakPolarHBondContact O-CB 3.34Å; H450-F453 PolarHBondContact O-N 3.46Å; H450-T454 PolarHBondContact O-N 3.15Å; H450-T454 PolarHBondContact O-OG1 3.12Å
451N77.9Confident64.8Low80 Ų8068.9 Ų68.943%0.42842%0.419SS..Hα-helixtrans-63.1-42.5176.5-68.4-12000111.3N446 S448 F453 T454 Q455N446-N451 PolarHBondContact O-ND2 2.95Å; S448-N451 WeakPolarHBondContact O-CA 3.35Å; S448-N451 WeakPolarHBondContact O-CB 3.42Å; S448-N451 PolarHBondContact O-N 3.23Å; N451-F453 VanDerWaalsContact C-N 3.32Å; N451-F453 PolarHBondContact O-N 3.11Å; N451-T454 PolarHBondContact O-N 2.97Å; N451-Q455 WeakPolarHBondContact O-CG 3.47Å; N451-Q455 PolarHBondContact O-N 2.9Å
452L78.9Confident64.4Low13 Ų1373.1 Ų73.17%0.06844%0.443CS..Hα-helixtrans-62.5-41.5176.5-169.765000111.5Y385 G416 Y419 V447 S448 H450 Q455 V456Y385-L452 HydrophobicContact CE2-CD2 3.95Å; Y385-L452 HydrophobicContact CE2-CG 4.47Å; G416-L452 WeakPolarHBondContact O-CD2 3.34Å; Y419-L452 HydrophobicContact CD1-CD1 3.79Å; Y419-L452 HydrophobicContact CD1-CD2 3.51Å; Y419-L452 HydrophobicContact CD1-CG 3.82Å; Y419-L452 HydrophobicContact CE1-CD1 3.82Å; Y419-L452 HydrophobicContact CE1-CD2 4.35Å; Y419-L452 HydrophobicContact CE1-CG 4.17Å; Y419-L452 HydrophobicContact CG-CD2 4.37Å; V447-L452 HydrophobicContact CG1-CB 3.96Å; V447-L452 HydrophobicContact CG1-CD1 4.22Å; S448-L452 PolarHBondContact O-N 3.14Å; S448-L452 VanDerWaalsContact O-N 3.11Å; H450-L452 VanDerWaalsContact C-N 3.34Å; H450-L452 PolarHBondContact O-N 3.25Å; L452-Q455 PolarHBondContact O-N 3.23Å; L452-V456 WeakPolarHBondContact O-CG2 3.29Å; L452-V456 PolarHBondContact O-N 2.83Å; L452-V456 VanDerWaalsContact O-N 3.13Å
453F81.1Confident63.6Low3 Ų375 Ų751%0.01347%0.465CS..Hα-helixtrans-62.4-47.8176.2-176.7-91.9000111.4Y385 A389 L390 H393 F412 A449 H450 N451 Q455 V456 F457 F460Y385-F453 WeakPolarHBondContact OH-CA 3.48Å; Y385-F453 PolarHBondContact OH-N 3.41Å; A389-F453 HydrophobicContact CB-CD2 3.84Å; A389-F453 HydrophobicContact CB-CE2 4.08Å; L390-F453 HydrophobicContact CD2-CZ 4.37Å; H393-F453 AromaticContact CD2-CD1 3.8Å; H393-F453 AromaticContact CD2-CD2 3.97Å; H393-F453 AromaticContact CD2-CE1 3.46Å; H393-F453 VanDerWaalsContact CD2-CE1 3.46Å; H393-F453 WeakPolarHBondContact CD2-CE1 3.38Å; H393-F453 AromaticContact CD2-CE2 3.63Å; H393-F453 AromaticContact CD2-CZ 3.37Å; H393-F453 WeakPolarHBondContact CD2-CZ 3.45Å; H393-F453 AromaticContact NE2-CD1 3.78Å; H393-F453 AromaticContact NE2-CE1 3.54Å; H393-F453 AromaticContact NE2-CZ 3.93Å; F412-F453 AromaticContact CE2-CD2 3.82Å; F412-F453 HydrophobicContact CE2-CD2 3.82Å; F412-F453 HydrophobicContact CE2-CE2 4.33Å; F412-F453 HydrophobicContact CE2-CG 4.38Å; F412-F453 HydrophobicContact CZ-CB 3.83Å; F412-F453 AromaticContact CZ-CD2 3.82Å; F412-F453 HydrophobicContact CZ-CD2 3.82Å; F412-F453 AromaticContact CZ-CG 3.91Å; F412-F453 HydrophobicContact CZ-CG 3.91Å; A449-F453 WeakPolarHBondContact O-CB 3.43Å; A449-F453 PolarHBondContact O-N 3.27Å; H450-F453 WeakPolarHBondContact O-CB 3.34Å; H450-F453 PolarHBondContact O-N 3.46Å; N451-F453 VanDerWaalsContact C-N 3.32Å; N451-F453 PolarHBondContact O-N 3.11Å; F453-Q455 VanDerWaalsContact C-N 3.29Å; F453-Q455 PolarHBondContact O-N 3.29Å; F453-V456 PolarHBondContact O-N 3.1Å; F453-V456 VanDerWaalsContact O-N 3.12Å; F453-F457 HydrophobicContact CD1-CD2 4.31Å; F453-F457 AromaticContact CD2-CD2 3.57Å; F453-F457 HydrophobicContact CD2-CD2 3.57Å; F453-F457 AromaticContact CD2-CE2 3.79Å; F453-F457 HydrophobicContact CD2-CE2 3.79Å; F453-F457 HydrophobicContact CE1-CB 4.26Å; F453-F457 HydrophobicContact CE1-CD2 4.13Å; F453-F457 HydrophobicContact CE1-CG 4.46Å; F453-F457 AromaticContact CE2-CD2 3.39Å; F453-F457 HydrophobicContact CE2-CD2 3.39Å; F453-F457 AromaticContact CE2-CE2 3.51Å; F453-F457 HydrophobicContact CE2-CE2 3.51Å; F453-F457 HydrophobicContact CE2-CG 4.26Å; F453-F457 HydrophobicContact CE2-CZ 4.46Å; F453-F457 HydrophobicContact CG-CD2 4.05Å; F453-F457 HydrophobicContact CZ-CB 4.39Å; F453-F457 AromaticContact CZ-CD2 3.68Å; F453-F457 HydrophobicContact CZ-CD2 3.68Å; F453-F457 HydrophobicContact CZ-CE2 4.18Å; F453-F457 HydrophobicContact CZ-CG 4.13Å; F453-F457 WeakPolarHBondContact O-CD2 3.3Å; F453-F457 PolarHBondContact O-N 3.33Å; F453-F460 HydrophobicContact CE1-CB 3.87Å; F453-F460 AromaticContact CE1-CD1 3.33Å; F453-F460 HydrophobicContact CE1-CD1 3.33Å; F453-F460 HydrophobicContact CE1-CD2 4.37Å; F453-F460 AromaticContact CE1-CE1 3.85Å; F453-F460 HydrophobicContact CE1-CE1 3.85Å; F453-F460 AromaticContact CE1-CG 3.61Å; F453-F460 HydrophobicContact CE1-CG 3.61Å; F453-F460 HydrophobicContact CZ-CB 4.44Å; F453-F460 AromaticContact CZ-CD1 3.61Å; F453-F460 HydrophobicContact CZ-CD1 3.61Å; F453-F460 HydrophobicContact CZ-CD2 4.14Å; F453-F460 AromaticContact CZ-CE1 3.7Å; F453-F460 HydrophobicContact CZ-CE1 3.7Å; F453-F460 HydrophobicContact CZ-CE2 4.25Å; F453-F460 AromaticContact CZ-CG 3.81Å; F453-F460 HydrophobicContact CZ-CG 3.81Å; F453-F460 HydrophobicContact CZ-CZ 4.03Å
454T82.5Confident62.9Low69 Ų6978.5 Ų78.542%0.42347%0.473SS..Hα-helixtrans-62-34.9177.9-53.40000112.6H450 N451 F457H450-T454 PolarHBondContact O-N 3.15Å; H450-T454 PolarHBondContact O-OG1 3.12Å; N451-T454 PolarHBondContact O-N 2.97Å; T454-F457 CarbonylContact O-C 3.6Å
455Q82Confident62.7Low141 Ų14173.8 Ų73.866%0.65946%0.457SS*.Hα-helixtrans-67.2-36.2174.6-75.2176.4-3.600112.8N451 L452 F453N451-Q455 WeakPolarHBondContact O-CG 3.47Å; N451-Q455 PolarHBondContact O-N 2.9Å; L452-Q455 PolarHBondContact O-N 3.23Å; F453-Q455 VanDerWaalsContact C-N 3.29Å; F453-Q455 PolarHBondContact O-N 3.29Å
456V80.9Confident62.4Low27 Ų2779.2 Ų79.216%0.16447%0.471CS..Hα-helixtrans-84.6-27-179.6176.40000112.2Y385 R386 Y419 L452 F453 P458Y385-V456 HydrophobicContact CD1-CB 4.48Å; Y385-V456 HydrophobicContact CD1-CG1 4.16Å; Y385-V456 HydrophobicContact CD1-CG2 4.15Å; Y385-V456 HydrophobicContact CE1-CB 3.88Å; Y385-V456 HydrophobicContact CE1-CG1 3.99Å; Y385-V456 HydrophobicContact CE1-CG2 3.65Å; R386-V456 HydrophobicContact CG-CG1 3.61Å; Y419-V456 HydrophobicContact CE1-CG2 4.24Å; L452-V456 WeakPolarHBondContact O-CG2 3.29Å; L452-V456 PolarHBondContact O-N 2.83Å; L452-V456 VanDerWaalsContact O-N 3.13Å; F453-V456 PolarHBondContact O-N 3.1Å; F453-V456 VanDerWaalsContact O-N 3.12Å; V456-P458 WeakPolarHBondContact O-CD 3.12Å
457F84Confident62.3Low35 Ų3578.1 Ų78.115%0.15446%0.459CS..SBendtrans-123.164.7178.7-59.5-81.2000112.1R386 A389 L390 F453 T454 G459 F460R386-F457 HydrophobicContact CB-CZ 3.85Å; R386-F457 HydrophobicContact CG-CE1 4.36Å; R386-F457 HydrophobicContact CG-CE2 4.46Å; R386-F457 HydrophobicContact CG-CZ 3.82Å; A389-F457 HydrophobicContact CB-CE2 4.34Å; L390-F457 HydrophobicContact CD1-CE1 3.76Å; L390-F457 HydrophobicContact CD1-CZ 3.86Å; L390-F457 HydrophobicContact CD2-CE1 4.07Å; L390-F457 HydrophobicContact CD2-CZ 4.16Å; L390-F457 HydrophobicContact CG-CE1 3.84Å; L390-F457 HydrophobicContact CG-CE2 4.34Å; L390-F457 HydrophobicContact CG-CZ 3.61Å; F453-F457 HydrophobicContact CD1-CD2 4.31Å; F453-F457 AromaticContact CD2-CD2 3.57Å; F453-F457 HydrophobicContact CD2-CD2 3.57Å; F453-F457 AromaticContact CD2-CE2 3.79Å; F453-F457 HydrophobicContact CD2-CE2 3.79Å; F453-F457 HydrophobicContact CE1-CB 4.26Å; F453-F457 HydrophobicContact CE1-CD2 4.13Å; F453-F457 HydrophobicContact CE1-CG 4.46Å; F453-F457 AromaticContact CE2-CD2 3.39Å; F453-F457 HydrophobicContact CE2-CD2 3.39Å; F453-F457 AromaticContact CE2-CE2 3.51Å; F453-F457 HydrophobicContact CE2-CE2 3.51Å; F453-F457 HydrophobicContact CE2-CG 4.26Å; F453-F457 HydrophobicContact CE2-CZ 4.46Å; F453-F457 HydrophobicContact CG-CD2 4.05Å; F453-F457 HydrophobicContact CZ-CB 4.39Å; F453-F457 AromaticContact CZ-CD2 3.68Å; F453-F457 HydrophobicContact CZ-CD2 3.68Å; F453-F457 HydrophobicContact CZ-CE2 4.18Å; F453-F457 HydrophobicContact CZ-CG 4.13Å; F453-F457 WeakPolarHBondContact O-CD2 3.3Å; F453-F457 PolarHBondContact O-N 3.33Å; T454-F457 CarbonylContact O-C 3.6Å; F457-G459 PolarHBondContact O-N 3.11Å; F457-F460 HydrophobicContact CB-CB 3.83Å; F457-F460 HydrophobicContact CB-CG 4.45Å; F457-F460 PolarHBondContact O-N 3.35Å; F457-F460 VanDerWaalsContact O-N 3.11Å
458P69.2Low61.2Low112 Ų11285.8 Ų85.873%0.72748%0.483SS*.THydrogen-bonded Turntrans-63112.3175.325.9-31.9000109.3V456V456-P458 WeakPolarHBondContact O-CD 3.12Å
459G67.4Low60.1Low41 Ų4192 Ų9242%0.42350%0.503SS..THydrogen-bonded Turntrans115.6-7.7-176.900000115.1F457 G461 T462F457-G459 PolarHBondContact O-N 3.11Å; G459-G461 PolarHBondContact O-N 3.32Å; G459-T462 PolarHBondContact O-N 3.17Å
460F64.4Low58.6Low72 Ų7298.7 Ų98.732%0.31657%0.573SS.*THydrogen-bonded Turntrans-73.991.6172.9-152.7-86.4000109.3L390 F453 F457L390-F460 HydrophobicContact CD2-CD2 4.22Å; L390-F460 HydrophobicContact CD2-CE2 3.43Å; L390-F460 VanDerWaalsContact CD2-CE2 3.43Å; L390-F460 HydrophobicContact CD2-CZ 3.88Å; F453-F460 HydrophobicContact CE1-CB 3.87Å; F453-F460 AromaticContact CE1-CD1 3.33Å; F453-F460 HydrophobicContact CE1-CD1 3.33Å; F453-F460 HydrophobicContact CE1-CD2 4.37Å; F453-F460 AromaticContact CE1-CE1 3.85Å; F453-F460 HydrophobicContact CE1-CE1 3.85Å; F453-F460 AromaticContact CE1-CG 3.61Å; F453-F460 HydrophobicContact CE1-CG 3.61Å; F453-F460 HydrophobicContact CZ-CB 4.44Å; F453-F460 AromaticContact CZ-CD1 3.61Å; F453-F460 HydrophobicContact CZ-CD1 3.61Å; F453-F460 HydrophobicContact CZ-CD2 4.14Å; F453-F460 AromaticContact CZ-CE1 3.7Å; F453-F460 HydrophobicContact CZ-CE1 3.7Å; F453-F460 HydrophobicContact CZ-CE2 4.25Å; F453-F460 AromaticContact CZ-CG 3.81Å; F453-F460 HydrophobicContact CZ-CG 3.81Å; F453-F460 HydrophobicContact CZ-CZ 4.03Å; F457-F460 HydrophobicContact CB-CB 3.83Å; F457-F460 HydrophobicContact CB-CG 4.45Å; F457-F460 PolarHBondContact O-N 3.35Å; F457-F460 VanDerWaalsContact O-N 3.11Å
461G54.2Low57.9Low78 Ų7898.5 Ų98.580%0.80458%0.578SS**THydrogen-bonded Turntrans136.1-12.3-178.600000115G459G459-G461 PolarHBondContact O-N 3.32Å
462T40.7Very low56.8Low103 Ų10399.4 Ų99.463%0.63259%0.585SS**SBendtrans-114.9110.8171.553.90000108.2G459G459-T462 PolarHBondContact O-N 3.17Å
463S36.8Very low55.6Low108 Ų108104.2 Ų104.276%0.75561%0.614SS**SBendtrans82.3123.5-179.4-42.30000115.2V465S463-V465 PolarHBondContact O-N 2.6Å
464T33.2Very low54.1Low139 Ų139110.2 Ų110.285%0.85365%0.649SS**  trans-44.199.6171.60.50000111.7H466T464-H466 PolarHBondContact O-N 2.71Å
465V38.1Very low52.3Low93 Ų93112.8 Ų112.856%0.56466%0.664SS**  trans-80.498.8171.2-1740000107.7S463 F467S463-V465 PolarHBondContact O-N 2.6Å; V465-F467 PolarHBondContact O-N 3.29Å; V465-F467 VanDerWaalsContact O-N 3.16Å
466H35.2Very low50.3Low157 Ų157110.9 Ų110.973%0.72766%0.664SS**  trans-63.9109.1164.3-92.4-76000108.7T464 Y468T464-H466 PolarHBondContact O-N 2.71Å; H466-Y468 PolarHBondContact O-N 3.36Å
467F40.8Very low48.2Very low141 Ų141116.9 Ų116.962%0.61870%0.7SS**  trans-73.8102.2167.6-69.8-83.5000108.7V465V465-F467 PolarHBondContact O-N 3.29Å; V465-F467 VanDerWaalsContact O-N 3.16Å
468Y32.3Very low45.4Very low220 Ų220123.2 Ų123.286%0.86374%0.742SS**  trans-78.5116160.1-92.6-88.7000108.2H466H466-Y468 PolarHBondContact O-N 3.36Å
469F42.1Very low43.4Very low188 Ų188124.1 Ų124.183%0.82574%0.743SS**  trans-78.2124.8167.4-78.1-90000108.8
470G35.9Very low41.2Very low149 Ų149131.6 Ų131.6100%1.53677%0.772SS**  trans-106.40158.200000110.3

Retrieved 470 of 470 residues in 577.8 ms (Link to these results)

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