A0A087Y998_POEFO Loading...

Carbohydrate sulfotransferase

AlphaFold DB , UniProt , Accession A0A087Y998, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 433 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
1M52Low68Low244 Ų244112.9 Ų112.9100%1.20259%0.588SS**  0117.40-72.1167.776.300107.5
2V52.8Low68.6Low112 Ų112116.8 Ų116.868%0.67959%0.591SS**  trans-75.2128.4177.6178.90000107.9V4 L7V2-V4 PolarHBondContact O-N 3.02Å; V2-L7 HydrophobicContact CG1-CD1 3.62Å
3D71.2Confident69.2Low100 Ų100115.5 Ų115.554%0.53559%0.585SS.*  trans-69.292.7177.7-177.6-5.1000109.9G5 A6 L7D3-G5 PolarHBondContact O-N 3.01Å; D3-G5 WeakPolarHBondContact OD1-CA 3.38Å; D3-G5 PolarHBondContact OD1-N 3.34Å; D3-A6 HydrophobicContact CB-CB 4.16Å; D3-A6 PolarHBondContact O-N 3.1Å; D3-A6 VanDerWaalsContact O-N 3.08Å; D3-A6 PolarHBondContact OD1-N 3.1Å; D3-L7 PolarHBondContact O-N 3.39Å
4V68.3Low69.7Low95 Ų95120.5 Ų120.558%0.57659%0.593SS**Hα-helixtrans-57.5-28.7177.6-1780000111.1V2 L7 I8V2-V4 PolarHBondContact O-N 3.02Å; V4-L7 PolarHBondContact O-N 3.15Å; V4-I8 HydrophobicContact CG1-CD1 3.9Å; V4-I8 HydrophobicContact CG1-CG1 4.46Å; V4-I8 VanDerWaalsContact O-CG1 3.3Å; V4-I8 WeakPolarHBondContact O-CG1 3.44Å; V4-I8 PolarHBondContact O-N 3.16Å; V4-I8 VanDerWaalsContact O-N 3.09Å
5G67.8Low70.3Confident27 Ų27115.8 Ų115.828%0.27857%0.574SS.*Hα-helixtrans-71.4-29.2177.500000113.8D3 R9D3-G5 PolarHBondContact O-N 3.01Å; D3-G5 WeakPolarHBondContact OD1-CA 3.38Å; D3-G5 PolarHBondContact OD1-N 3.34Å; G5-R9 PolarHBondContact O-N 3.37Å; G5-R9 PolarHBondContact O-NE 3.2Å
6A68.7Low70.8Confident42 Ų42113.8 Ų113.835%0.34757%0.565SS.*Hα-helixtrans-73.9-38173.700000111.9D3 T10D3-A6 HydrophobicContact CB-CB 4.16Å; D3-A6 PolarHBondContact O-N 3.1Å; D3-A6 VanDerWaalsContact O-N 3.08Å; D3-A6 PolarHBondContact OD1-N 3.1Å; A6-T10 WeakPolarHBondContact O-CB 3.46Å; A6-T10 PolarHBondContact O-N 3.18Å; A6-T10 PolarHBondContact O-OG1 2.93Å
7L68.3Low71.1Confident108 Ų108112.7 Ų112.757%0.56556%0.561SS**Hα-helixtrans-65.9-43.9176.3-84.1159.5000112.1V2 D3 V4 T10 Y11V2-L7 HydrophobicContact CG1-CD1 3.62Å; D3-L7 PolarHBondContact O-N 3.39Å; V4-L7 PolarHBondContact O-N 3.15Å; L7-T10 PolarHBondContact O-N 3.46Å; L7-Y11 WeakPolarHBondContact O-CB 3.34Å; L7-Y11 PolarHBondContact O-N 3.1Å
8I69.2Low71.4Confident104 Ų104111.3 Ų111.353%0.53356%0.563SS.*Hα-helixtrans-63.8-43.2178.3-67.8168.2000111V4 T10 Y11 Y12V4-I8 HydrophobicContact CG1-CD1 3.9Å; V4-I8 HydrophobicContact CG1-CG1 4.46Å; V4-I8 VanDerWaalsContact O-CG1 3.3Å; V4-I8 WeakPolarHBondContact O-CG1 3.44Å; V4-I8 PolarHBondContact O-N 3.16Å; V4-I8 VanDerWaalsContact O-N 3.09Å; I8-T10 PolarHBondContact O-N 3.26Å; I8-Y11 PolarHBondContact O-N 3.24Å; I8-Y12 WeakPolarHBondContact O-CB 3.36Å; I8-Y12 PolarHBondContact O-N 3.4Å
9R75.4Confident71.7Confident166 Ų166115.3 Ų115.363%0.62657%0.571SS**Hα-helixtrans-62.6-42.8176.5-83.2-176.8-87.2-150.7-0.3112.3G5 Y11 Y12 I13G5-R9 PolarHBondContact O-N 3.37Å; G5-R9 PolarHBondContact O-NE 3.2Å; R9-Y11 VanDerWaalsContact C-N 3.35Å; R9-Y11 PolarHBondContact O-N 3.34Å; R9-Y12 PolarHBondContact O-N 3.12Å; R9-I13 VanDerWaalsContact O-CG1 3.26Å; R9-I13 WeakPolarHBondContact O-CG1 3.46Å; R9-I13 PolarHBondContact O-N 3.11Å
10T73.3Confident71.9Confident76 Ų76113.7 Ų113.747%0.46656%0.563SS.*Hα-helixtrans-65.9-39.6178.6-50.90000111.5A6 L7 I8 R14A6-T10 WeakPolarHBondContact O-CB 3.46Å; A6-T10 PolarHBondContact O-N 3.18Å; A6-T10 PolarHBondContact O-OG1 2.93Å; L7-T10 PolarHBondContact O-N 3.46Å; I8-T10 PolarHBondContact O-N 3.26Å; T10-R14 WeakPolarHBondContact O-CB 3.39Å; T10-R14 WeakPolarHBondContact O-CG 3.39Å; T10-R14 PolarHBondContact O-N 3.14Å
11Y80.9Confident72Confident168 Ų168114.7 Ų114.766%0.65957%0.568SS**Hα-helixtrans-63.8-43.7174.9-177.3-99.5000111.9L7 I8 R9 R14 T15L7-Y11 WeakPolarHBondContact O-CB 3.34Å; L7-Y11 PolarHBondContact O-N 3.1Å; I8-Y11 PolarHBondContact O-N 3.24Å; R9-Y11 VanDerWaalsContact C-N 3.35Å; R9-Y11 PolarHBondContact O-N 3.34Å; Y11-R14 PolarHBondContact O-N 2.71Å; Y11-T15 WeakPolarHBondContact O-CB 3.38Å; Y11-T15 PolarHBondContact O-N 2.93Å; Y11-T15 PolarHBondContact O-OG1 3.09Å
12Y75.8Confident73.2Confident159 Ų159108.3 Ų108.362%0.62454%0.538SS*.Hα-helixtrans-65.1-44.2179.3-135-93.8000112I8 R9 T15 I16I8-Y12 WeakPolarHBondContact O-CB 3.36Å; I8-Y12 PolarHBondContact O-N 3.4Å; R9-Y12 PolarHBondContact O-N 3.12Å; Y12-T15 PolarHBondContact O-N 3.5Å; Y12-I16 HydrophobicContact CD1-CD1 3.79Å; Y12-I16 HydrophobicContact CD1-CG1 4.41Å; Y12-I16 HydrophobicContact CE1-CD1 4.22Å; Y12-I16 WeakPolarHBondContact O-CG1 2.91Å; Y12-I16 PolarHBondContact O-N 3.21Å
13I76.3Confident74.4Confident101 Ų101110.1 Ų110.152%0.51853%0.533SS..Hα-helixtrans-62.7-45.2177-68.3167000110.7R9 T15 I16 L17R9-I13 VanDerWaalsContact O-CG1 3.26Å; R9-I13 WeakPolarHBondContact O-CG1 3.46Å; R9-I13 PolarHBondContact O-N 3.11Å; I13-T15 VanDerWaalsContact C-N 3.3Å; I13-T15 PolarHBondContact O-N 3.03Å; I13-I16 PolarHBondContact O-N 3.04Å; I13-L17 HydrophobicContact CG2-CD1 3.89Å; I13-L17 HydrophobicContact CG2-CG 4.42Å; I13-L17 WeakPolarHBondContact O-CB 3.25Å; I13-L17 WeakPolarHBondContact O-CG 3.43Å; I13-L17 PolarHBondContact O-N 3.42Å
14R76.7Confident74.2Confident185 Ų185110.4 Ų110.470%0.69853%0.532SS*.Hα-helixtrans-60.5-40176-80.9-176.9162.8-172.8-4.1112.3T10 Y11 L17 C18T10-R14 WeakPolarHBondContact O-CB 3.39Å; T10-R14 WeakPolarHBondContact O-CG 3.39Å; T10-R14 PolarHBondContact O-N 3.14Å; Y11-R14 PolarHBondContact O-N 2.71Å; R14-L17 PolarHBondContact O-N 3.48Å; R14-C18 VanDerWaalsContact O-CB 3.32Å; R14-C18 WeakPolarHBondContact O-CB 3.34Å; R14-C18 PolarHBondContact O-N 2.96Å
15T77.8Confident74.4Confident50 Ų50112.3 Ų112.331%0.30753%0.533SS..Hα-helixtrans-67.2-40.9179.2-51.70000111.6Y11 Y12 I13 C18 R19Y11-T15 WeakPolarHBondContact O-CB 3.38Å; Y11-T15 PolarHBondContact O-N 2.93Å; Y11-T15 PolarHBondContact O-OG1 3.09Å; Y12-T15 PolarHBondContact O-N 3.5Å; I13-T15 VanDerWaalsContact C-N 3.3Å; I13-T15 PolarHBondContact O-N 3.03Å; T15-C18 PolarHBondContact O-N 3.25Å; T15-R19 WeakPolarHBondContact O-CG 3.4Å; T15-R19 PolarHBondContact O-N 2.93Å; T15-R19 VanDerWaalsContact O-N 3.07Å
16I78.8Confident74.6Confident84 Ų84116 Ų11643%0.43155%0.546SS..Hα-helixtrans-64.6-47.4175.8-69.9168.7000110.8Y12 I13 C18 R19 I20Y12-I16 HydrophobicContact CD1-CD1 3.79Å; Y12-I16 HydrophobicContact CD1-CG1 4.41Å; Y12-I16 HydrophobicContact CE1-CD1 4.22Å; Y12-I16 WeakPolarHBondContact O-CG1 2.91Å; Y12-I16 PolarHBondContact O-N 3.21Å; I13-I16 PolarHBondContact O-N 3.04Å; I16-C18 VanDerWaalsContact C-N 3.31Å; I16-C18 PolarHBondContact O-N 3.34Å; I16-R19 PolarHBondContact O-N 3.39Å; I16-I20 HydrophobicContact CG2-CD1 3.83Å; I16-I20 HydrophobicContact CG2-CG1 4.49Å; I16-I20 WeakPolarHBondContact O-CG1 3.41Å; I16-I20 PolarHBondContact O-N 3.46Å
17L74.9Confident74.7Confident95 Ų95120.5 Ų120.550%0.49755%0.554SS.*Hα-helixtrans-60.9-41178.3-71.9171.6000111.8I13 R14 R19 I20 M21I13-L17 HydrophobicContact CG2-CD1 3.89Å; I13-L17 HydrophobicContact CG2-CG 4.42Å; I13-L17 WeakPolarHBondContact O-CB 3.25Å; I13-L17 WeakPolarHBondContact O-CG 3.43Å; I13-L17 PolarHBondContact O-N 3.42Å; R14-L17 PolarHBondContact O-N 3.48Å; L17-R19 PolarHBondContact O-N 3.01Å; L17-I20 PolarHBondContact O-N 2.78Å; L17-M21 WeakPolarHBondContact O-CG 3.47Å; L17-M21 PolarHBondContact O-N 3.48Å
18C76.9Confident74.6Confident88 Ų88121.4 Ų121.460%0.59556%0.557SS**Hα-helixtrans-64.2-39.8177.7-149.30000111.8R14 T15 I16 M21 L22R14-C18 VanDerWaalsContact O-CB 3.32Å; R14-C18 WeakPolarHBondContact O-CB 3.34Å; R14-C18 PolarHBondContact O-N 2.96Å; T15-C18 PolarHBondContact O-N 3.25Å; I16-C18 VanDerWaalsContact C-N 3.31Å; I16-C18 PolarHBondContact O-N 3.34Å; C18-M21 PolarHBondContact O-N 3.33Å; C18-L22 WeakPolarHBondContact O-CB 3.48Å; C18-L22 PolarHBondContact O-N 3.29Å
19R78.1Confident74.9Confident187 Ų187122 Ų12271%0.70656%0.557SS**Hα-helixtrans-65.7-40174.5-74.1-177.4177.6-149.9-0112.7T15 I16 L17 L22 W23T15-R19 WeakPolarHBondContact O-CG 3.4Å; T15-R19 PolarHBondContact O-N 2.93Å; T15-R19 VanDerWaalsContact O-N 3.07Å; I16-R19 PolarHBondContact O-N 3.39Å; L17-R19 PolarHBondContact O-N 3.01Å; R19-L22 PolarHBondContact O-N 2.95Å; R19-W23 WeakPolarHBondContact O-CB 3.47Å; R19-W23 PolarHBondContact O-N 3Å
20I74.6Confident74.5Confident83 Ų83119.8 Ų119.843%0.42656%0.555SS.*Hα-helixtrans-64.1-45.6176.1-68.1168000110.4I16 L17 L22 W23 M24I16-I20 HydrophobicContact CG2-CD1 3.83Å; I16-I20 HydrophobicContact CG2-CG1 4.49Å; I16-I20 WeakPolarHBondContact O-CG1 3.41Å; I16-I20 PolarHBondContact O-N 3.46Å; L17-I20 PolarHBondContact O-N 2.78Å; I20-L22 PolarHBondContact O-N 3.44Å; I20-W23 PolarHBondContact O-N 2.9Å; I20-M24 HydrophobicContact CG2-CG 4.45Å; I20-M24 HydrophobicContact CG2-SD 4.05Å; I20-M24 WeakPolarHBondContact O-CG 3.43Å; I20-M24 PolarHBondContact O-N 3.08Å
21M74.6Confident74.1Confident134 Ų134120 Ų12066%0.6655%0.554SS**Hα-helixtrans-63.5-40.6178.3-71.1179.169.300112.2L17 C18 M24 K25L17-M21 WeakPolarHBondContact O-CG 3.47Å; L17-M21 PolarHBondContact O-N 3.48Å; C18-M21 PolarHBondContact O-N 3.33Å; M21-M24 PolarHBondContact O-N 3.07Å; M21-K25 WeakPolarHBondContact O-CB 3.09Å; M21-K25 PolarHBondContact O-N 3.39Å
22L76.6Confident73.3Confident111 Ų111114.4 Ų114.458%0.58154%0.539SS*.Hα-helixtrans-64.6-42.1176.1-164.573.4000111.5C18 R19 I20 K25 L26C18-L22 WeakPolarHBondContact O-CB 3.48Å; C18-L22 PolarHBondContact O-N 3.29Å; R19-L22 PolarHBondContact O-N 2.95Å; I20-L22 PolarHBondContact O-N 3.44Å; L22-K25 PolarHBondContact O-N 3.4Å; L22-L26 HydrophobicContact CG-CD1 4.31Å; L22-L26 WeakPolarHBondContact O-CB 3.33Å; L22-L26 WeakPolarHBondContact O-CG 3.32Å; L22-L26 PolarHBondContact O-N 3.03Å
23W79.2Confident72.9Confident149 Ų149111.6 Ų111.656%0.56453%0.534SS*.Hα-helixtrans-64.5-42.7176.1-177.179.8000112.5R19 I20 K25 L26 R27R19-W23 WeakPolarHBondContact O-CB 3.47Å; R19-W23 PolarHBondContact O-N 3Å; I20-W23 PolarHBondContact O-N 2.9Å; W23-K25 VanDerWaalsContact C-N 3.33Å; W23-K25 PolarHBondContact O-N 3.49Å; W23-L26 PolarHBondContact O-N 3.47Å; W23-R27 VanDerWaalsContact CH2-NH1 3.28Å; W23-R27 VanDerWaalsContact O-CB 3.31Å; W23-R27 WeakPolarHBondContact O-CB 3.28Å; W23-R27 PolarHBondContact O-N 2.78Å
24M65.8Low72Confident106 Ų106114.7 Ų114.752%0.52254%0.54SS..Hα-helixtrans-62.2-40.1175-71.5178.275.100111.8I20 M21 R27 M28I20-M24 HydrophobicContact CG2-CG 4.45Å; I20-M24 HydrophobicContact CG2-SD 4.05Å; I20-M24 WeakPolarHBondContact O-CG 3.43Å; I20-M24 PolarHBondContact O-N 3.08Å; M21-M24 PolarHBondContact O-N 3.07Å; M24-R27 PolarHBondContact O-N 3.24Å; M24-M28 WeakPolarHBondContact O-CG 3.02Å; M24-M28 PolarHBondContact O-N 2.74Å
25K73.8Confident71.2Confident135 Ų135110.8 Ų110.859%0.58753%0.532SS*.Hα-helixtrans-66.5-44.9177.6-165.2171.9-176.9179.60112.1M21 L22 W23 R27 M28 E29M21-K25 WeakPolarHBondContact O-CB 3.09Å; M21-K25 PolarHBondContact O-N 3.39Å; L22-K25 PolarHBondContact O-N 3.4Å; W23-K25 VanDerWaalsContact C-N 3.33Å; W23-K25 PolarHBondContact O-N 3.49Å; K25-R27 VanDerWaalsContact C-N 3.31Å; K25-R27 PolarHBondContact O-N 3.26Å; K25-M28 PolarHBondContact O-N 2.97Å; K25-E29 WeakPolarHBondContact O-CG 3.47Å; K25-E29 PolarHBondContact O-N 3.43Å; K25-E29 VanDerWaalsContact O-N 3.1Å
26L71.6Confident70.4Confident106 Ų106116.9 Ų116.956%0.55555%0.549SS*.Hα-helixtrans-61.7-39.4174.5-77.5163.4000112L22 W23 E29 M30L22-L26 HydrophobicContact CG-CD1 4.31Å; L22-L26 WeakPolarHBondContact O-CB 3.33Å; L22-L26 WeakPolarHBondContact O-CG 3.32Å; L22-L26 PolarHBondContact O-N 3.03Å; W23-L26 PolarHBondContact O-N 3.47Å; L26-E29 PolarHBondContact O-N 3.43Å; L26-M30 WeakPolarHBondContact O-CB 3.44Å; L26-M30 VanDerWaalsContact O-CG 3.25Å; L26-M30 WeakPolarHBondContact O-CG 3.41Å; L26-M30 PolarHBondContact O-N 2.97Å
27R71.3Confident69.3Low136 Ų136117 Ų11751%0.51355%0.55SS..Hα-helixtrans-66.3-41.8177.5-171.1174.4-178.3-175.22.4112.4W23 M24 K25 M30 D31W23-R27 VanDerWaalsContact CH2-NH1 3.28Å; W23-R27 VanDerWaalsContact O-CB 3.31Å; W23-R27 WeakPolarHBondContact O-CB 3.28Å; W23-R27 PolarHBondContact O-N 2.78Å; M24-R27 PolarHBondContact O-N 3.24Å; K25-R27 VanDerWaalsContact C-N 3.31Å; K25-R27 PolarHBondContact O-N 3.26Å; R27-M30 PolarHBondContact O-N 3.39Å; R27-D31 WeakPolarHBondContact O-CB 3.04Å; R27-D31 VanDerWaalsContact O-CG 3.25Å; R27-D31 PolarHBondContact O-N 3.27Å
28M66Low68.5Low127 Ų127122.3 Ų122.363%0.62656%0.563SS**Hα-helixtrans-65.4-39.5176-71.5-171.4-51.700112.9M24 K25 D31 S32M24-M28 WeakPolarHBondContact O-CG 3.02Å; M24-M28 PolarHBondContact O-N 2.74Å; K25-M28 PolarHBondContact O-N 2.97Å; M28-D31 PolarHBondContact O-N 3.33Å; M28-S32 VanDerWaalsContact O-CB 3.26Å; M28-S32 WeakPolarHBondContact O-CB 3.29Å; M28-S32 PolarHBondContact O-N 2.93Å
29E74.1Confident67.5Low116 Ų116128.1 Ų128.154%0.54257%0.573SS.*Hα-helixtrans-64.1-44.8174.3-75.4-79.516500111.3K25 L26 S32 L33K25-E29 WeakPolarHBondContact O-CG 3.47Å; K25-E29 PolarHBondContact O-N 3.43Å; K25-E29 VanDerWaalsContact O-N 3.1Å; L26-E29 PolarHBondContact O-N 3.43Å; E29-S32 WeakPolarHBondContact O-CB 3.48Å; E29-S32 PolarHBondContact O-N 3.13Å; E29-L33 WeakPolarHBondContact O-CB 3.42Å; E29-L33 WeakPolarHBondContact O-CG 3.38Å; E29-L33 PolarHBondContact O-N 3.35Å
30M67.4Low66.9Low119 Ų119122.4 Ų122.459%0.58656%0.555SS**Hα-helixtrans-59.9-46.2174.2-80-99.3-54.300112.4L26 R27 S32 L33 W34L26-M30 WeakPolarHBondContact O-CB 3.44Å; L26-M30 VanDerWaalsContact O-CG 3.25Å; L26-M30 WeakPolarHBondContact O-CG 3.41Å; L26-M30 PolarHBondContact O-N 2.97Å; R27-M30 PolarHBondContact O-N 3.39Å; M30-S32 VanDerWaalsContact C-N 3.34Å; M30-L33 PolarHBondContact O-N 3.38Å; M30-W34 WeakPolarHBondContact O-CB 3.37Å; M30-W34 PolarHBondContact O-N 2.99Å
31D65Low66.7Low82 Ų82123 Ų12344%0.43956%0.564SS.*Hα-helixtrans-66.1-37.8178.5-72.3-24.4000111.1R27 M28 W34 I35R27-D31 WeakPolarHBondContact O-CB 3.04Å; R27-D31 VanDerWaalsContact O-CG 3.25Å; R27-D31 PolarHBondContact O-N 3.27Å; M28-D31 PolarHBondContact O-N 3.33Å; D31-W34 PolarHBondContact O-N 2.97Å; D31-I35 WeakPolarHBondContact O-CB 3.44Å; D31-I35 WeakPolarHBondContact O-CD1 3.3Å; D31-I35 WeakPolarHBondContact O-CG1 3.43Å; D31-I35 PolarHBondContact O-N 3.23Å
32S64.5Low66.3Low49 Ų49126.7 Ų126.734%0.34357%0.571SS.*Hα-helixtrans-62.6-43.9173.3176.60000112.3M28 E29 M30 I35 R36M28-S32 VanDerWaalsContact O-CB 3.26Å; M28-S32 WeakPolarHBondContact O-CB 3.29Å; M28-S32 PolarHBondContact O-N 2.93Å; E29-S32 WeakPolarHBondContact O-CB 3.48Å; E29-S32 PolarHBondContact O-N 3.13Å; M30-S32 VanDerWaalsContact C-N 3.34Å; S32-I35 PolarHBondContact O-N 3.45Å; S32-R36 PolarHBondContact O-N 3.13Å
33L66.3Low65.8Low101 Ų101124.3 Ų124.353%0.52957%0.567SS.*Hα-helixtrans-64.5-41.9174-77.9163.1000111.6E29 M30 I35 R36 L37E29-L33 WeakPolarHBondContact O-CB 3.42Å; E29-L33 WeakPolarHBondContact O-CG 3.38Å; E29-L33 PolarHBondContact O-N 3.35Å; M30-L33 PolarHBondContact O-N 3.38Å; L33-I35 PolarHBondContact O-N 2.94Å; L33-R36 PolarHBondContact O-N 3.3Å; L33-L37 PolarHBondContact O-N 3.3Å
34W58.4Low65.6Low166 Ų166121.7 Ų121.763%0.62956%0.56SS**Hα-helixtrans-62.8-40.1175.3-117.182.3000112.4M30 D31 L37 R38M30-W34 WeakPolarHBondContact O-CB 3.37Å; M30-W34 PolarHBondContact O-N 2.99Å; D31-W34 PolarHBondContact O-N 2.97Å; W34-L37 PolarHBondContact O-N 2.77Å; W34-R38 WeakPolarHBondContact O-CB 3.42Å; W34-R38 PolarHBondContact O-N 2.86Å
35I59.7Low66Low103 Ų103121.5 Ų121.553%0.52855%0.553SS.*Hα-helixtrans-66.4-38.7175.1-70.2162.8000111D31 S32 L33 R38 R39D31-I35 WeakPolarHBondContact O-CB 3.44Å; D31-I35 WeakPolarHBondContact O-CD1 3.3Å; D31-I35 WeakPolarHBondContact O-CG1 3.43Å; D31-I35 PolarHBondContact O-N 3.23Å; S32-I35 PolarHBondContact O-N 3.45Å; L33-I35 PolarHBondContact O-N 2.94Å; I35-R38 PolarHBondContact O-N 3.14Å; I35-R39 WeakPolarHBondContact O-CB 3.44Å; I35-R39 PolarHBondContact O-N 3.02Å
36R60.8Low66.2Low178 Ų178122.1 Ų122.167%0.67256%0.556SS**Hα-helixtrans-65.2-43.1173-77-177.7-167.3-173.23.8112S32 L33 R38 R39 M40S32-R36 PolarHBondContact O-N 3.13Å; L33-R36 PolarHBondContact O-N 3.3Å; R36-R38 VanDerWaalsContact C-N 3.29Å; R36-R38 PolarHBondContact O-N 3.35Å; R36-R39 PolarHBondContact O-N 2.72Å; R36-M40 PolarHBondContact O-N 2.86Å
37L55.3Low66.7Low86 Ų86123 Ų12345%0.4556%0.56SS.*Hα-helixtrans-61.3-38.6177.1-133.883.2000111.9L33 W34 R39 M40 W45L33-L37 PolarHBondContact O-N 3.3Å; W34-L37 PolarHBondContact O-N 2.77Å; L37-R39 VanDerWaalsContact C-N 3.31Å; L37-R39 PolarHBondContact O-N 3.25Å; L37-M40 PolarHBondContact O-N 3.05Å; L37-W45 HydrophobicContact CD2-CH2 4.08Å; L37-W45 HydrophobicContact CD2-CZ2 4.07Å; L37-W45 HydrophobicContact CG-CZ2 4.19Å; L37-W45 PolarHBondContact O-NE1 2.98Å
38R58.1Low67.3Low206 Ų206120.4 Ų120.478%0.77756%0.556SS**Hα-helixtrans-76.4-15.5179.3-158173.5-178.3174.81.7113.8W34 I35 R36W34-R38 WeakPolarHBondContact O-CB 3.42Å; W34-R38 PolarHBondContact O-N 2.86Å; I35-R38 PolarHBondContact O-N 3.14Å; R36-R38 VanDerWaalsContact C-N 3.29Å; R36-R38 PolarHBondContact O-N 3.35Å
39R57.5Low68.1Low211 Ų211119.8 Ų119.880%0.79656%0.555SS**THydrogen-bonded Turntrans-92-4.9176-98.6-178.7168.3-177.9-3114I35 R36 L37I35-R39 WeakPolarHBondContact O-CB 3.44Å; I35-R39 PolarHBondContact O-N 3.02Å; R36-R39 PolarHBondContact O-N 2.72Å; L37-R39 VanDerWaalsContact C-N 3.31Å; L37-R39 PolarHBondContact O-N 3.25Å
40M64Low68.7Low67 Ų67121.7 Ų121.733%0.3356%0.561SS.*SBendtrans-65.5136178.2-67.9-116.6-95.200110.5R36 L37 F44R36-M40 PolarHBondContact O-N 2.86Å; L37-M40 PolarHBondContact O-N 3.05Å; M40-F44 HydrophobicContact CB-CB 4.39Å; M40-F44 HydrophobicContact CB-CD1 4.46Å; M40-F44 HydrophobicContact CE-CD1 3.34Å; M40-F44 HydrophobicContact CE-CD2 4.22Å; M40-F44 HydrophobicContact CE-CE1 3.12Å; M40-F44 HydrophobicContact CE-CE2 4.03Å; M40-F44 HydrophobicContact CE-CG 3.9Å; M40-F44 HydrophobicContact CE-CZ 3.5Å; M40-F44 HydrophobicContact SD-CD1 4.13Å; M40-F44 HydrophobicContact SD-CD2 4.36Å; M40-F44 HydrophobicContact SD-CE1 4.37Å; M40-F44 HydrophobicContact SD-CG 4.14Å
41P70.3Confident69.6Low94 Ų94117.8 Ų117.861%0.6155%0.552SS**  trans-53.6144.9-179.7-24.633000111A43 F44P41-A43 PolarHBondContact O-N 3.06Å; P41-F44 WeakPolarHBondContact O-CB 3.35Å; P41-F44 PolarHBondContact O-N 3.29Å
42R66.5Low70.7Confident213 Ų213117.7 Ų117.780%0.80455%0.554SS**Hα-helixtrans-51.1-33.3178.2-70.4-179.1177.3161.6-1.5112.2F44 W45 F46R42-F44 VanDerWaalsContact C-N 3.29Å; R42-F44 PolarHBondContact O-N 3.3Å; R42-W45 PolarHBondContact O-N 3.21Å; R42-F46 HydrophobicContact CB-CD2 4.37Å; R42-F46 HydrophobicContact CB-CE2 4.28Å; R42-F46 WeakPolarHBondContact O-CD2 3.49Å; R42-F46 PolarHBondContact O-N 2.73Å
43A66.3Low71.8Confident61 Ų61117.2 Ų117.250%0.50456%0.557SS.*Hα-helixtrans-56.4-36.717500000113.8P41 F46 I47P41-A43 PolarHBondContact O-N 3.06Å; A43-F46 PolarHBondContact O-N 3.29Å; A43-I47 VanDerWaalsContact O-CG1 3.29Å; A43-I47 WeakPolarHBondContact O-CG1 3.48Å; A43-I47 PolarHBondContact O-N 3.16Å
44F75.5Confident72.8Confident94 Ų94115 Ų11541%0.41255%0.548SS..Hα-helixtrans-66.7-43.3177.8-175-87000111.6M40 P41 R42 F46 I47 L48M40-F44 HydrophobicContact CB-CB 4.39Å; M40-F44 HydrophobicContact CB-CD1 4.46Å; M40-F44 HydrophobicContact CE-CD1 3.34Å; M40-F44 HydrophobicContact CE-CD2 4.22Å; M40-F44 HydrophobicContact CE-CE1 3.12Å; M40-F44 HydrophobicContact CE-CE2 4.03Å; M40-F44 HydrophobicContact CE-CG 3.9Å; M40-F44 HydrophobicContact CE-CZ 3.5Å; M40-F44 HydrophobicContact SD-CD1 4.13Å; M40-F44 HydrophobicContact SD-CD2 4.36Å; M40-F44 HydrophobicContact SD-CE1 4.37Å; M40-F44 HydrophobicContact SD-CG 4.14Å; P41-F44 WeakPolarHBondContact O-CB 3.35Å; P41-F44 PolarHBondContact O-N 3.29Å; R42-F44 VanDerWaalsContact C-N 3.29Å; R42-F44 PolarHBondContact O-N 3.3Å; F44-F46 VanDerWaalsContact C-N 3.34Å; F44-I47 PolarHBondContact O-N 2.96Å; F44-L48 WeakPolarHBondContact O-CB 3.45Å; F44-L48 PolarHBondContact O-N 2.6Å
45W74.8Confident74Confident101 Ų101109.5 Ų109.538%0.38354%0.538SS..Hα-helixtrans-66.6-35.3175.7-74.2102.2000112.2L37 R42 L48 L49L37-W45 HydrophobicContact CD2-CH2 4.08Å; L37-W45 HydrophobicContact CD2-CZ2 4.07Å; L37-W45 HydrophobicContact CG-CZ2 4.19Å; L37-W45 PolarHBondContact O-NE1 2.98Å; R42-W45 PolarHBondContact O-N 3.21Å; W45-L48 HydrophobicContact CE3-CD2 4.01Å; W45-L48 HydrophobicContact CZ3-CD2 3.9Å; W45-L48 PolarHBondContact O-N 3.42Å; W45-L49 WeakPolarHBondContact O-CB 3.36Å; W45-L49 VanDerWaalsContact O-CG 3.26Å; W45-L49 WeakPolarHBondContact O-CG 3.36Å; W45-L49 PolarHBondContact O-N 3.4Å
46F76.9Confident75.2Confident149 Ų149109.8 Ų109.865%0.65454%0.539SS*.Hα-helixtrans-63.4-44.8172.4-82.8-69.5000112.3R42 A43 F44 L49 F50R42-F46 HydrophobicContact CB-CD2 4.37Å; R42-F46 HydrophobicContact CB-CE2 4.28Å; R42-F46 WeakPolarHBondContact O-CD2 3.49Å; R42-F46 PolarHBondContact O-N 2.73Å; A43-F46 PolarHBondContact O-N 3.29Å; F44-F46 VanDerWaalsContact C-N 3.34Å; F46-L49 PolarHBondContact O-N 2.89Å; F46-F50 WeakPolarHBondContact O-CB 3.45Å; F46-F50 PolarHBondContact O-N 3.22Å
47I82.3Confident76.3Confident123 Ų123106.4 Ų106.463%0.63153%0.534SS*.Hα-helixtrans-63.9-42.5177.4-67163.8000110.8A43 F44 F50 G51A43-I47 VanDerWaalsContact O-CG1 3.29Å; A43-I47 WeakPolarHBondContact O-CG1 3.48Å; A43-I47 PolarHBondContact O-N 3.16Å; F44-I47 PolarHBondContact O-N 2.96Å; I47-F50 PolarHBondContact O-N 3.1Å; I47-G51 PolarHBondContact O-N 2.87Å
48L83.5Confident77.6Confident82 Ų82109 Ų10943%0.42954%0.542SS..Hα-helixtrans-62.7-48.5177.9-166.489.1000111.6F44 W45 F50 G51 V52F44-L48 WeakPolarHBondContact O-CB 3.45Å; F44-L48 PolarHBondContact O-N 2.6Å; W45-L48 HydrophobicContact CE3-CD2 4.01Å; W45-L48 HydrophobicContact CZ3-CD2 3.9Å; W45-L48 PolarHBondContact O-N 3.42Å; L48-F50 VanDerWaalsContact C-N 3.35Å; L48-G51 PolarHBondContact O-N 3.31Å; L48-V52 WeakPolarHBondContact O-CG2 3.13Å; L48-V52 PolarHBondContact O-N 2.92Å
49L83.9Confident78.6Confident115 Ų115103.7 Ų103.760%0.60253%0.529SS*.Hα-helixtrans-66.6-37.1179.3-72.4170.4000112W45 F46 G53W45-L49 WeakPolarHBondContact O-CB 3.36Å; W45-L49 VanDerWaalsContact O-CG 3.26Å; W45-L49 WeakPolarHBondContact O-CG 3.36Å; W45-L49 PolarHBondContact O-N 3.4Å; F46-L49 PolarHBondContact O-N 2.89Å; L49-G53 PolarHBondContact O-N 3.01Å
50F86.6Confident79.6Confident155 Ų15599 Ų9968%0.6852%0.516SS*.Hα-helixtrans-65.4-44.4174.3-172-96.9000111.2F46 I47 L48 V52 G53 V54F46-F50 WeakPolarHBondContact O-CB 3.45Å; F46-F50 PolarHBondContact O-N 3.22Å; I47-F50 PolarHBondContact O-N 3.1Å; L48-F50 VanDerWaalsContact C-N 3.35Å; F50-V52 PolarHBondContact O-N 3.22Å; F50-G53 PolarHBondContact O-N 2.92Å; F50-V54 HydrophobicContact CD1-CG2 3.99Å; F50-V54 HydrophobicContact CE1-CG2 3.66Å; F50-V54 HydrophobicContact CZ-CG2 3.96Å; F50-V54 VanDerWaalsContact O-CG2 3.32Å; F50-V54 WeakPolarHBondContact O-CG2 3.25Å; F50-V54 PolarHBondContact O-N 3.44Å
51G85.9Confident80.2Confident38 Ų38100.3 Ų100.339%0.39252%0.523SS..Hα-helixtrans-60.6-43.7175.800000112.9I47 L48 V54 A55I47-G51 PolarHBondContact O-N 2.87Å; L48-G51 PolarHBondContact O-N 3.31Å; G51-V54 PolarHBondContact O-N 2.93Å; G51-A55 WeakPolarHBondContact O-CB 3.24Å; G51-A55 PolarHBondContact O-N 3.4Å
52V88.6Confident80.4Confident80 Ų80102 Ų10249%0.48552%0.523SS..Hα-helixtrans-64.4-42.2174.4173.20000111.1L48 F50 A55 L56L48-V52 WeakPolarHBondContact O-CG2 3.13Å; L48-V52 PolarHBondContact O-N 2.92Å; F50-V52 PolarHBondContact O-N 3.22Å; V52-A55 PolarHBondContact O-N 3.46Å; V52-L56 HydrophobicContact CG1-CD1 3.96Å; V52-L56 HydrophobicContact CG1-CG 4.4Å; V52-L56 WeakPolarHBondContact O-CB 3.47Å; V52-L56 VanDerWaalsContact O-CG 3.31Å; V52-L56 WeakPolarHBondContact O-CG 3Å; V52-L56 PolarHBondContact O-N 3.07Å
53G86Confident80.7Confident39 Ų3996.4 Ų96.440%0.40251%0.507SS..Hα-helixtrans-62.1-43176.900000113L49 F50 L56 L57L49-G53 PolarHBondContact O-N 3.01Å; F50-G53 PolarHBondContact O-N 2.92Å; G53-L56 PolarHBondContact O-N 3.24Å; G53-L57 WeakPolarHBondContact O-CB 3.49Å; G53-L57 PolarHBondContact O-N 3.26Å
54V87.9Confident80.8Confident55 Ų5597 Ų9733%0.33350%0.502SS..Hα-helixtrans-64.8-43.6175.6171.30000110.8F50 G51 L56 L57 F58F50-V54 HydrophobicContact CD1-CG2 3.99Å; F50-V54 HydrophobicContact CE1-CG2 3.66Å; F50-V54 HydrophobicContact CZ-CG2 3.96Å; F50-V54 VanDerWaalsContact O-CG2 3.32Å; F50-V54 WeakPolarHBondContact O-CG2 3.25Å; F50-V54 PolarHBondContact O-N 3.44Å; G51-V54 PolarHBondContact O-N 2.93Å; V54-L56 PolarHBondContact O-N 3.31Å; V54-L57 WeakPolarHBondContact O-CB 3.36Å; V54-L57 PolarHBondContact O-N 2.93Å; V54-F58 HydrophobicContact CG1-CD2 3.78Å; V54-F58 HydrophobicContact CG1-CE2 3.93Å; V54-F58 WeakPolarHBondContact O-CD2 3.46Å; V54-F58 PolarHBondContact O-N 3.46Å
55A83.9Confident80.4Confident50 Ų5095.8 Ų95.841%0.41351%0.505SS..Hα-helixtrans-62.7-41.9177.500000112.4G51 V52 L57 F58 L59G51-A55 WeakPolarHBondContact O-CB 3.24Å; G51-A55 PolarHBondContact O-N 3.4Å; V52-A55 PolarHBondContact O-N 3.46Å; A55-L57 VanDerWaalsContact C-N 3.35Å; A55-F58 PolarHBondContact O-N 3.46Å; A55-L59 PolarHBondContact O-N 3.37Å
56L85.3Confident79.9Confident108 Ų10897.6 Ų97.657%0.56552%0.518SS*.Hα-helixtrans-66.4-36.7175.3-71.3172.5000112.1V52 G53 V54 H60V52-L56 HydrophobicContact CG1-CD1 3.96Å; V52-L56 HydrophobicContact CG1-CG 4.4Å; V52-L56 WeakPolarHBondContact O-CB 3.47Å; V52-L56 VanDerWaalsContact O-CG 3.31Å; V52-L56 WeakPolarHBondContact O-CG 3Å; V52-L56 PolarHBondContact O-N 3.07Å; G53-L56 PolarHBondContact O-N 3.24Å; V54-L56 PolarHBondContact O-N 3.31Å; L56-H60 WeakPolarHBondContact O-CB 3.29Å; L56-H60 PolarHBondContact O-N 2.96Å
57L83.7Confident79Confident107 Ų10796.3 Ų96.356%0.5652%0.515SS*.Hα-helixtrans-65.2-42.6174.5-164.484.8000111.2G53 V54 A55 H60 I61G53-L57 WeakPolarHBondContact O-CB 3.49Å; G53-L57 PolarHBondContact O-N 3.26Å; V54-L57 WeakPolarHBondContact O-CB 3.36Å; V54-L57 PolarHBondContact O-N 2.93Å; A55-L57 VanDerWaalsContact C-N 3.35Å; L57-H60 PolarHBondContact O-N 3.26Å; L57-I61 HydrophobicContact CD2-CD1 4.18Å; L57-I61 HydrophobicContact CG-CD1 4.05Å; L57-I61 VanDerWaalsContact O-CG1 3.27Å; L57-I61 WeakPolarHBondContact O-CG1 3.38Å; L57-I61 PolarHBondContact O-N 3.46Å
58F81.8Confident77.7Confident141 Ų14198.6 Ų98.662%0.61852%0.521SS*.Hα-helixtrans-60.9-48.4175.3-97.8-82.3000111.7V54 A55 H60 I61 E62V54-F58 HydrophobicContact CG1-CD2 3.78Å; V54-F58 HydrophobicContact CG1-CE2 3.93Å; V54-F58 WeakPolarHBondContact O-CD2 3.46Å; V54-F58 PolarHBondContact O-N 3.46Å; A55-F58 PolarHBondContact O-N 3.46Å; F58-H60 VanDerWaalsContact C-N 3.26Å; F58-H60 PolarHBondContact O-N 3.38Å; F58-I61 PolarHBondContact O-N 2.89Å; F58-E62 WeakPolarHBondContact O-CB 3.37Å; F58-E62 PolarHBondContact O-N 2.8Å
59L80.5Confident76.2Confident95 Ų95101.7 Ų101.750%0.49754%0.537SS..Hα-helixtrans-56.8-41173.8-83.2155.1000111.8A55 E62 I63A55-L59 PolarHBondContact O-N 3.37Å; L59-E62 PolarHBondContact O-N 3.22Å; L59-I63 WeakPolarHBondContact O-CD1 3.14Å; L59-I63 WeakPolarHBondContact O-CG1 3.47Å; L59-I63 PolarHBondContact O-N 3.33Å
60H77.8Confident74.6Confident113 Ų113104.4 Ų104.452%0.52355%0.546SS..Hα-helixtrans-71-35.1179.8-157.8-42.9000112.7L56 L57 F58 L64L56-H60 WeakPolarHBondContact O-CB 3.29Å; L56-H60 PolarHBondContact O-N 2.96Å; L57-H60 PolarHBondContact O-N 3.26Å; F58-H60 VanDerWaalsContact C-N 3.26Å; F58-H60 PolarHBondContact O-N 3.38Å; H60-L64 WeakPolarHBondContact O-CB 3.19Å; H60-L64 VanDerWaalsContact O-CG 3.28Å; H60-L64 WeakPolarHBondContact O-CG 3.37Å; H60-L64 PolarHBondContact O-N 3.33Å
61I76.7Confident72.5Confident94 Ų94105.5 Ų105.548%0.48255%0.554SS.*Hα-helixtrans-69.5-39.1174.9-70.4166.2000110.4L57 F58 L64 S65L57-I61 HydrophobicContact CD2-CD1 4.18Å; L57-I61 HydrophobicContact CG-CD1 4.05Å; L57-I61 VanDerWaalsContact O-CG1 3.27Å; L57-I61 WeakPolarHBondContact O-CG1 3.38Å; L57-I61 PolarHBondContact O-N 3.46Å; F58-I61 PolarHBondContact O-N 2.89Å; I61-L64 PolarHBondContact O-N 3.48Å; I61-S65 WeakPolarHBondContact O-CB 3.38Å; I61-S65 PolarHBondContact O-N 3.18Å
62E74.1Confident70Confident129 Ų129107.1 Ų107.160%0.60357%0.57SS**Hα-helixtrans-63.7-44.9176.9-150.2167.5-154.500110.8F58 L59 L64 S65 E66F58-E62 WeakPolarHBondContact O-CB 3.37Å; F58-E62 PolarHBondContact O-N 2.8Å; L59-E62 PolarHBondContact O-N 3.22Å; E62-L64 PolarHBondContact O-N 3.26Å; E62-S65 PolarHBondContact O-N 2.78Å; E62-E66 PolarHBondContact O-N 2.61Å
63I72.9Confident68Low95 Ų95109.9 Ų109.949%0.48759%0.59SS.*Hα-helixtrans-60.7-43.2172.9-68.4164.4000111.6L59 S65 E66 M67L59-I63 WeakPolarHBondContact O-CD1 3.14Å; L59-I63 WeakPolarHBondContact O-CG1 3.47Å; L59-I63 PolarHBondContact O-N 3.33Å; I63-S65 VanDerWaalsContact C-N 3.32Å; I63-S65 PolarHBondContact O-N 3.13Å; I63-E66 PolarHBondContact O-N 3.41Å; I63-M67 HydrophobicContact CG2-SD 4.41Å; I63-M67 WeakPolarHBondContact O-CG 3.48Å; I63-M67 PolarHBondContact O-N 3.28Å
64L68.1Low65.5Low75 Ų75111.8 Ų111.839%0.39361%0.61SS.*Hα-helixtrans-66.1-35.4177.3-78.2166.6000112.2H60 I61 E62 M67 F68H60-L64 WeakPolarHBondContact O-CB 3.19Å; H60-L64 VanDerWaalsContact O-CG 3.28Å; H60-L64 WeakPolarHBondContact O-CG 3.37Å; H60-L64 PolarHBondContact O-N 3.33Å; I61-L64 PolarHBondContact O-N 3.48Å; E62-L64 PolarHBondContact O-N 3.26Å; L64-M67 PolarHBondContact O-N 2.76Å; L64-F68 PolarHBondContact O-N 2.85Å
65S66.8Low62.6Low67 Ų67118.1 Ų118.147%0.46964%0.638SS.*Hα-helixtrans-69.7-35.7176.9-160.80000111.8I61 E62 I63 F68 L69I61-S65 WeakPolarHBondContact O-CB 3.38Å; I61-S65 PolarHBondContact O-N 3.18Å; E62-S65 PolarHBondContact O-N 2.78Å; I63-S65 VanDerWaalsContact C-N 3.32Å; I63-S65 PolarHBondContact O-N 3.13Å; S65-F68 PolarHBondContact O-N 2.86Å; S65-L69 PolarHBondContact O-N 2.79Å
66E65.2Low60Low140 Ų140121.4 Ų121.465%0.65466%0.658SS**Hα-helixtrans-67.1-37.8171.3-74.1-164166.400112.2E62 I63 L69E62-E66 PolarHBondContact O-N 2.61Å; I63-E66 PolarHBondContact O-N 3.41Å; E66-L69 PolarHBondContact O-N 2.67Å
67M58Low57.3Low122 Ų122121.7 Ų121.760%0.60167%0.669SS**Hα-helixtrans-66.1-36.4175-72.6-178.764.100112.8I63 L64I63-M67 HydrophobicContact CG2-SD 4.41Å; I63-M67 WeakPolarHBondContact O-CG 3.48Å; I63-M67 PolarHBondContact O-N 3.28Å; L64-M67 PolarHBondContact O-N 2.76Å
68F54.9Low55.5Low171 Ų171121.6 Ų121.675%0.7568%0.675SS**Hα-helixtrans-76-22.2178.6-100-85.9000113.8L64 S65 Q70L64-F68 PolarHBondContact O-N 2.85Å; S65-F68 PolarHBondContact O-N 2.86Å; F68-Q70 VanDerWaalsContact C-N 3.33Å
69L50.5Low53Low146 Ų146124.6 Ų124.676%0.76469%0.691SS**Hα-helixtrans-80-11.4174.8-84.4161000113.7S65 E66S65-L69 PolarHBondContact O-N 2.79Å; E66-L69 PolarHBondContact O-N 2.67Å
70Q50.7Low50.6Low172 Ų172127.1 Ų127.180%0.80470%0.7SS**THydrogen-bonded Turntrans-93.94.1176.9-79.6-173.1-16.400114.8F68F68-Q70 VanDerWaalsContact C-N 3.33Å
71Q43.5Very low48.2Very low178 Ų178127.1 Ų127.183%0.83271%0.713SS**  trans-12898.8172.4-78.4-173.1-18.700112.1
72G33.3Very low46Very low72 Ų72129.7 Ų129.774%0.74272%0.721SS**  trans-149.3162.2151.300000110
73P46.9Very low43.9Very low139 Ų139131.2 Ų131.290%0.90373%0.728SS**  cis-122.8160-18.234.8-18.5000112.2
74G32.1Very low41.8Very low79 Ų79130.4 Ų130.481%0.81474%0.743SS**  trans-166.867.7-178.100000116
75M27.8Very low39.8Very low187 Ų187134.6 Ų134.692%0.92177%0.765SS**  trans13.4118.2146.8-130148.37400120.1
76S30.3Very low37.9Very low119 Ų119140.7 Ų140.783%0.83279%0.786SS**  166.6118.9110.944.90000113.5
77S27.3Very low36Very low114 Ų114138.4 Ų138.480%0.79779%0.791SS**  trans-82.8-159.3173.4-40.70000111.1
78P46.9Very low34.6Very low105 Ų105137 Ų13768%0.68280%0.799SS**  cis-141175.6-1334.1-13000115.3
79Q28.8Very low33.2Very low205 Ų205137.7 Ų137.796%0.95880%0.804SS**  -150.9138.7128.5-119.9175.3-2.400113.2
80Q30.2Very low32Very low147 Ų147135.4 Ų135.469%0.68781%0.807SS**  trans-96.2151.5-161-99.8167.8-38.800113.6
81S27.4Very low30.9Very low114 Ų114134.6 Ų134.680%0.79781%0.808SS**  -175.6104.8116.8350000107.1
82K29.6Very low30.7Very low148 Ų148131.6 Ų131.664%0.64380%0.804SS**  5213386.8-76.5-168.9167.5-123.90112.2
83E30.5Very low30.4Very low160 Ų160134.6 Ų134.675%0.74881%0.807SS**  cis-172.8157.33.2-102.9158.2-174.200101.8
84G28.2Very low29.5Very low79 Ų79133 Ų13381%0.81480%0.799SS**  cis-175.9179.418.300000109.9
85L27Very low29.6Very low162 Ų162134.8 Ų134.885%0.84880%0.797SS**  trans-98.3151.2-154.1-16778.1000112.3
86Q26.8Very low29.5Very low196 Ų196134 Ų13492%0.91679%0.793SS**  -165.9137.5126.3-109.21665.900112.7
87A26.1Very low29.2Very low91 Ų91137.6 Ų137.675%0.75280%0.797SS**  trans-115.9155.8-178.300000110
88A27.9Very low29.1Very low93 Ų93140.4 Ų140.477%0.76980%0.797SS**  trans150.4143.2157.200000107
89E25.2Very low28.4Very low185 Ų185140.5 Ų140.586%0.86480%0.797SS**  cis-177.1162.2-8.5-128.3176.8169.800105.2
90A26.4Very low28.2Very low99 Ų99138.3 Ų138.382%0.81879%0.792SS**  trans71.5114154.500000122
91N26.7Very low27.8Very low154 Ų154137.9 Ų137.982%0.82480%0.799SS**  trans-58.2169.2145.9-79.1-40.6000110.7
92P39.4Very low27.7Very low116 Ų116141.6 Ų141.675%0.75380%0.804SS**  cis-152.6-171.234.229.6-1.2000117.4
93V26.1Very low27.4Very low134 Ų134143.8 Ų143.881%0.81282%0.817SS**  trans103.3106.5149.5-168.50000118.1
94S27.8Very low27Very low105 Ų105141.7 Ų141.773%0.73482%0.82SS**  trans-72158.6152.8-123.20000110.2
95P34Very low26.9Very low118 Ų118147.5 Ų147.577%0.76682%0.823SS**  -158.1152.371.437.3-14.5000118.8
96M25.6Very low26.8Very low169 Ų169149.4 Ų149.483%0.83383%0.827SS**  trans44.2122.2130.9-118.3169.398.900121.4
97Q25.6Very low26.7Very low196 Ų196150 Ų15092%0.91683%0.827SS**  trans-162.2116.5136.5-108.5159.4-0.600112.1
98H24.9Very low26.5Very low172 Ų172150.2 Ų150.280%0.79683%0.828SS**  trans-79.9162.6150.7-78.2-72.6000108
99P31.6Very low26.4Very low107 Ų107152.1 Ų152.170%0.69583%0.831SS**  cis-145.8165.634.839.8-19.2000116.5
100N24.7Very low26.3Very low159 Ų159149.3 Ų149.385%0.8583%0.826SS**  179.3140.6116.5-100.7-15.5000112.5
101V23.3Very low26.2Very low138 Ų138150.3 Ų150.384%0.83682%0.822SS**  trans-82.7125.4174.9170.60000108.1
102E24.1Very low26.1Very low193 Ų193148 Ų14890%0.90282%0.818SS**  trans-142.8123.3153.4-121.2176.8-171.800109.5
103E23Very low25.6Very low193 Ų193151.2 Ų151.290%0.90282%0.823SS**  trans-81.9116.4-175.6-171-179.4-170.300109.1
104S23.4Very low25.6Very low117 Ų117153.8 Ų153.882%0.81883%0.826SS**  trans-144.2132.5159.381.90000112.4
105K24.5Very low25.6Very low200 Ų200157.7 Ų157.787%0.8783%0.833SS**  trans-56.7131.8-177.3-68.3163175.1168.40111.4
106Q25.1Very low25.1Very low203 Ų203158.6 Ų158.695%0.94983%0.831SS**  trans-154.8147142.4-111.616724.600113.1
107K24.4Very low25.3Very low209 Ų209158 Ų15891%0.90983%0.83SS**  trans-91.4120.1-164.7-177.6-175.7-173.7-177.90108.2
108A23.6Very low25.5Very low94 Ų94152 Ų15278%0.77782%0.82SS**  trans-151.6128.4164.200000111.8
109T24.4Very low25.7Very low134 Ų134146.8 Ų146.882%0.82280%0.801SS**  trans-56.4124.9177.3-42.10000112.4
110T22.6Very low25.9Very low125 Ų125147.1 Ų147.177%0.76780%0.803SS**  trans-114.5114.9161.5-49.50000109.1
111V25.9Very low26.5Very low121 Ų121146 Ų14673%0.73379%0.792SS**  trans-73.1115.4169170.40000107.5
112S24.3Very low27.5Very low106 Ų106142.5 Ų142.574%0.74177%0.768SS**  trans-115107164.2-46.20000107.2E114S112-E114 PolarHBondContact O-N 2.79Å
113Q29.6Very low28.6Very low183 Ų183136.7 Ų136.786%0.85575%0.746SS**  trans-70.5109169.8-80.4179.6-32.100108.9
114E24.3Very low29.3Very low188 Ų188136.8 Ų136.888%0.87974%0.743SS**  trans-110.7116.8159-109.5176.4164.200108.3S112 D116S112-E114 PolarHBondContact O-N 2.79Å; E114-D116 PolarHBondContact O-N 2.84Å
115Q27.9Very low30.1Very low187 Ų187140.3 Ų140.387%0.87474%0.739SS**  trans-75.5102174.5-79180-27.300109.4
116D24.3Very low31.1Very low137 Ų137134.9 Ų134.973%0.73372%0.716SS**  trans-88.5109.6171.7-166.911.9000110.4E114E114-D116 PolarHBondContact O-N 2.84Å
117I29.9Very low32.1Very low157 Ų157132.3 Ų132.381%0.80570%0.698SS**  trans-99.7110.9173.7-66172000107.8
118G28.7Very low32.8Very low69 Ų69129.8 Ų129.871%0.71169%0.687SS**  trans117.66815000000117.4
119T31.1Very low34Very low63 Ų63128.1 Ų128.139%0.38767%0.665SS.*  trans-134.8140.7149-25.20000108Q121T119-Q121 PolarHBondContact O-N 2.89Å
120P35.8Very low35.1Very low113 Ų113124.3 Ų124.373%0.73464%0.639SS**  trans-7375.9161.229.8-28.8000107.4I122P120-I122 PolarHBondContact O-N 3.28Å
121Q36.7Very low35.9Very low135 Ų135127.3 Ų127.363%0.63164%0.642SS**  trans-64.6121.4166.1-69.3-144.56.300107.1T119 T123T119-Q121 PolarHBondContact O-N 2.89Å; Q121-T123 PolarHBondContact O-N 2.91Å
122I43.9Very low36.4Very low66 Ų66126 Ų12634%0.33863%0.634SS.*  trans-48.5110160.9-61.8173.8000105.8P120 Q126 R127 L130P120-I122 PolarHBondContact O-N 3.28Å; I122-Q126 HydrophobicContact CG2-CB 3.48Å; I122-Q126 VanDerWaalsContact CG2-CB 3.48Å; I122-R127 HydrophobicContact CG2-CG 3.78Å; I122-L130 HydrophobicContact CG2-CD1 4.47Å
123T47.1Very low37Very low71 Ų71123 Ų12344%0.43661%0.613SS.*  trans-57.4147.7-173.555.40000108.9Q121 R125 Q126 R127Q121-T123 PolarHBondContact O-N 2.91Å; T123-R125 CarbonylContact O-C 3.54Å; T123-R125 PolarHBondContact O-N 3.39Å; T123-Q126 WeakPolarHBondContact O-CA 3.39Å; T123-Q126 WeakPolarHBondContact O-CB 3.24Å; T123-Q126 PolarHBondContact O-N 3.46Å; T123-Q126 WeakPolarHBondContact OG1-CG 3.16Å; T123-Q126 PolarHBondContact OG1-N 2.99Å; T123-Q126 VanDerWaalsContact OG1-N 3.17Å; T123-Q126 PolarHBondContact OG1-OE1 2.63Å; T123-R127 PolarHBondContact O-N 2.95Å
124K38.3Very low37.2Very low194 Ų194119.7 Ų119.784%0.84361%0.607SS**Hα-helixtrans-49.8-29.8173.5-72.8-178.6179.1176.40111.6K128K124-K128 VanDerWaalsContact O-CB 3.3Å; K124-K128 WeakPolarHBondContact O-CB 3.22Å; K124-K128 PolarHBondContact O-N 3.09Å
125R40.7Very low37.6Very low192 Ų192118.5 Ų118.573%0.72560%0.602SS**Hα-helixtrans-64.7-47.7171.3-163.6173.6-179.2179.5-0.2112.9T123 K128 L129T123-R125 CarbonylContact O-C 3.54Å; T123-R125 PolarHBondContact O-N 3.39Å; R125-K128 PolarHBondContact O-N 3.13Å; R125-L129 HydrophobicContact CG-CD1 3.98Å; R125-L129 WeakPolarHBondContact O-CB 3.27Å; R125-L129 WeakPolarHBondContact O-CD1 3.46Å; R125-L129 WeakPolarHBondContact O-CG 3.15Å; R125-L129 PolarHBondContact O-N 2.78Å
126Q45Very low37.9Very low85 Ų85114.9 Ų114.940%0.39759%0.587SS.*Hα-helixtrans-62.7-41.5173.8-78.5168.1-38.700112.9I122 T123 L129 L130I122-Q126 HydrophobicContact CG2-CB 3.48Å; I122-Q126 VanDerWaalsContact CG2-CB 3.48Å; T123-Q126 WeakPolarHBondContact O-CA 3.39Å; T123-Q126 WeakPolarHBondContact O-CB 3.24Å; T123-Q126 PolarHBondContact O-N 3.46Å; T123-Q126 WeakPolarHBondContact OG1-CG 3.16Å; T123-Q126 PolarHBondContact OG1-N 2.99Å; T123-Q126 VanDerWaalsContact OG1-N 3.17Å; T123-Q126 PolarHBondContact OG1-OE1 2.63Å; Q126-L129 PolarHBondContact O-N 3.5Å; Q126-L130 WeakPolarHBondContact O-CD1 3.48Å; Q126-L130 WeakPolarHBondContact O-CG 3.19Å; Q126-L130 PolarHBondContact O-N 3.03Å
127R44.7Very low38Very low149 Ų149114.4 Ų114.456%0.56259%0.589SS**Hα-helixtrans-64-39.5173.8-81.7-173.6-172.6154.14.2112.9I122 T123 L129 K131I122-R127 HydrophobicContact CG2-CG 3.78Å; T123-R127 PolarHBondContact O-N 2.95Å; R127-L129 VanDerWaalsContact C-N 3.32Å; R127-K131 PolarHBondContact O-N 2.87Å
128K40.5Very low38.4Very low157 Ų157112.2 Ų112.268%0.68358%0.576SS**Hα-helixtrans-66.6-36.3175.7-166173.2-177.3179.50111.3K124 R125 K131 T132K124-K128 VanDerWaalsContact O-CB 3.3Å; K124-K128 WeakPolarHBondContact O-CB 3.22Å; K124-K128 PolarHBondContact O-N 3.09Å; R125-K128 PolarHBondContact O-N 3.13Å; K128-K131 PolarHBondContact O-N 3.22Å; K128-T132 WeakPolarHBondContact O-CG2 3.44Å; K128-T132 PolarHBondContact O-N 3.5Å; K128-T132 PolarHBondContact O-OG1 3.35Å
129L48.7Very low38.5Very low59 Ų59114.6 Ų114.631%0.30958%0.581SS.*Hα-helixtrans-76-30178.5-70.5166.4000114R125 Q126 R127 K131 T132 S133 Y177R125-L129 HydrophobicContact CG-CD1 3.98Å; R125-L129 WeakPolarHBondContact O-CB 3.27Å; R125-L129 WeakPolarHBondContact O-CD1 3.46Å; R125-L129 WeakPolarHBondContact O-CG 3.15Å; R125-L129 PolarHBondContact O-N 2.78Å; Q126-L129 PolarHBondContact O-N 3.5Å; R127-L129 VanDerWaalsContact C-N 3.32Å; L129-K131 VanDerWaalsContact C-N 3.29Å; L129-T132 PolarHBondContact O-N 3.35Å; L129-S133 PolarHBondContact O-N 2.75Å; L129-S133 PolarHBondContact O-OG 3.24Å; L129-Y177 HydrophobicContact CD1-CE1 4.31Å
130L46.9Very low38.4Very low54 Ų54121.1 Ų121.128%0.28360%0.604SS.*Hα-helixtrans-62-38.5168.8-81.8155.5000110.9I122 Q126 T132 Y417I122-L130 HydrophobicContact CG2-CD1 4.47Å; Q126-L130 WeakPolarHBondContact O-CD1 3.48Å; Q126-L130 WeakPolarHBondContact O-CG 3.19Å; Q126-L130 PolarHBondContact O-N 3.03Å; L130-T132 PolarHBondContact O-N 2.81Å; L130-Y417 HydrophobicContact CD2-CD1 3.83Å; L130-Y417 HydrophobicContact CD2-CD2 4.35Å; L130-Y417 HydrophobicContact CD2-CE1 3.91Å; L130-Y417 HydrophobicContact CD2-CE2 4.45Å; L130-Y417 HydrophobicContact CD2-CG 4.05Å
131K39.9Very low38.2Very low188 Ų188123.1 Ų123.182%0.81761%0.609SS**THydrogen-bonded Turntrans-77.9-13.5179-68.9-174.7178.2-1680114.9R127 K128 L129R127-K131 PolarHBondContact O-N 2.87Å; K128-K131 PolarHBondContact O-N 3.22Å; L129-K131 VanDerWaalsContact C-N 3.29Å
132T36.9Very low37.8Very low92 Ų92122.9 Ų122.956%0.56462%0.616SS**THydrogen-bonded Turntrans-120.811.8-174.563.10000113.7K128 L129 L130K128-T132 WeakPolarHBondContact O-CG2 3.44Å; K128-T132 PolarHBondContact O-N 3.5Å; K128-T132 PolarHBondContact O-OG1 3.35Å; L129-T132 PolarHBondContact O-N 3.35Å; L130-T132 PolarHBondContact O-N 2.81Å
133S36.4Very low37Very low45 Ų45124.4 Ų124.432%0.31563%0.633SS.*PPolyproline II helixtrans-75.8126.1172.9-72.80000109.5L129 Y417L129-S133 PolarHBondContact O-N 2.75Å; L129-S133 PolarHBondContact O-OG 3.24Å; S133-Y417 PolarHBondContact OG-OH 2.94Å; S133-Y417 VanDerWaalsContact OG-OH 3.07Å
134P32.6Very low36.4Very low112 Ų112128.7 Ų128.773%0.72765%0.652SS**PPolyproline II helixtrans-63.2147.1170.72.75.4000109.9I136P134-I136 PolarHBondContact O-N 3.48Å
135Q32.9Very low36.1Very low163 Ų163125 Ų12576%0.76265%0.646SS**PPolyproline II helixtrans-57.2124.7166.2-74.2-156.4-13.800108.7T137Q135-T137 VanDerWaalsContact C-N 3.3Å; Q135-T137 PolarHBondContact O-N 2.86Å
136I35.8Very low36.3Very low112 Ų112121.3 Ų121.357%0.57465%0.649SS**  trans-70.393.8170.9-59.4172.6000106.2P134 H138P134-I136 PolarHBondContact O-N 3.48Å; I136-H138 PolarHBondContact O-N 3.32Å; I136-H138 VanDerWaalsContact O-N 3.13Å
137T26.1Very low35.8Very low126 Ų126124.2 Ų124.277%0.77367%0.667SS**  trans-68105.2165.544.70000107.6Q135Q135-T137 VanDerWaalsContact C-N 3.3Å; Q135-T137 PolarHBondContact O-N 2.86Å
138H36.9Very low35.5Very low112 Ų112121.8 Ų121.852%0.51967%0.671SS.*  trans-70.1131.3168.9-83.7-77000109.8I136 S426I136-H138 PolarHBondContact O-N 3.32Å; I136-H138 VanDerWaalsContact O-N 3.13Å; H138-S426 PolarHBondContact NE2-OG 3.37Å
139S30.8Very low35.6Very low118 Ų118120.6 Ų120.683%0.82568%0.682SS**  trans-51.2139160.3-74.80000110.2
140K30.6Very low35.1Very low200 Ų200125.2 Ų125.287%0.8770%0.7SS**  trans-40.4136.8-173.1-65.9173.8176.7177.80114.3V142K140-V142 PolarHBondContact O-N 3.34Å
141N31.1Very low35Very low155 Ų155126.7 Ų126.783%0.82972%0.715SS**  trans-47.4117.8167-69.2-22.9000111.3S143N141-S143 PolarHBondContact O-N 3.22Å
142V28.1Very low35.6Very low131 Ų131121.8 Ų121.879%0.79471%0.709SS**  trans-84.3103.1154.1178.70000106.1K140 L144K140-V142 PolarHBondContact O-N 3.34Å; V142-L144 PolarHBondContact O-N 2.98Å; V142-L144 VanDerWaalsContact O-N 3.14Å
143S26.2Very low36.3Very low97 Ų97125.8 Ų125.868%0.67872%0.721SS**  trans-62.2108.6167.3-73.50000108.7N141 T145N141-S143 PolarHBondContact O-N 3.22Å; S143-T145 PolarHBondContact O-N 3.3Å
144L35.2Very low37.2Very low162 Ų162124.9 Ų124.985%0.84872%0.719SS**  trans-7679.8166.4-89.2134.5000108.6V142V142-L144 PolarHBondContact O-N 2.98Å; V142-L144 VanDerWaalsContact O-N 3.14Å
145T33.1Very low38.7Very low115 Ų115122 Ų12271%0.70670%0.702SS**  trans-117.5122.8157.3250000107.4S143S143-T145 PolarHBondContact O-N 3.3Å
146S43.1Very low40.2Very low115 Ų115120.8 Ų120.880%0.80469%0.69SS**  trans57.8100.917660.80000117.8
147L34.6Very low41.9Very low146 Ų146118.8 Ų118.876%0.76469%0.686SS**  trans-142.9144.8154.9-89.9164.1000111.2
148P39.4Very low44.8Very low99 Ų99117.4 Ų117.464%0.64367%0.674SS**  trans-80.2170.1-167.134.5-35.1000112.9F150P148-F150 PolarHBondContact O-N 3.29Å
149S42.4Very low47.4Very low131 Ų131112.5 Ų112.592%0.91665%0.652SS**  trans-35.1102.7-176.652.80000114.5
150F38.3Very low50.4Low157 Ų157109.3 Ų109.369%0.68963%0.63SS**  trans-85.4128.7178.7-122.5-99.9000110.4P148P148-F150 PolarHBondContact O-N 3.29Å
151S44Very low53.4Low85 Ų85103.5 Ų103.559%0.59461%0.614SS**  trans-62.1139.1175.853.70000112.3E153 G154 S155S151-E153 VanDerWaalsContact C-N 3.27Å; S151-E153 PolarHBondContact O-N 2.91Å; S151-E153 VanDerWaalsContact O-N 3.16Å; S151-G154 PolarHBondContact O-N 3.4Å; S151-G154 VanDerWaalsContact O-N 3.15Å; S151-S155 PolarHBondContact O-N 2.91Å
152A53.2Low56.5Low85 Ų8599.7 Ų99.770%0.70259%0.593SS**Hα-helixtrans-58.4-28.3-17400000115.1R156A152-R156 PolarHBondContact O-N 3.25Å
153E51.5Low59.7Low175 Ų17593.8 Ų93.882%0.81856%0.557SS**Hα-helixtrans-71.7-38.8177.1-95.5175.1158.600113.5S151 S155 R156 S157S151-E153 VanDerWaalsContact C-N 3.27Å; S151-E153 PolarHBondContact O-N 2.91Å; S151-E153 VanDerWaalsContact O-N 3.16Å; E153-S155 VanDerWaalsContact C-N 3.34Å; E153-R156 PolarHBondContact O-N 3.13Å; E153-S157 PolarHBondContact O-N 2.92Å; E153-S157 PolarHBondContact O-OG 3.45Å; E153-S157 VanDerWaalsContact O-OG 3.1Å
154G55.6Low63Low26 Ų2693.7 Ų93.727%0.26855%0.546SS..Hα-helixtrans-67.1-34.8174.900000112.6S151 S157 N158S151-G154 PolarHBondContact O-N 3.4Å; S151-G154 VanDerWaalsContact O-N 3.15Å; G154-S157 PolarHBondContact O-OG 3.11Å; G154-S157 VanDerWaalsContact O-OG 3.1Å; G154-N158 WeakPolarHBondContact O-CB 3.44Å; G154-N158 PolarHBondContact O-N 3.42Å
155S63.9Low65.9Low52 Ų5288.7 Ų88.736%0.36453%0.528SS..Hα-helixtrans-67.3-39.9174.8-163.40000112.1S151 E153 L159S151-S155 PolarHBondContact O-N 2.91Å; E153-S155 VanDerWaalsContact C-N 3.34Å; S155-L159 PolarHBondContact O-N 3.35Å; S155-L159 VanDerWaalsContact O-N 3.11Å
156R64.8Low69Low138 Ų13884.3 Ų84.352%0.52150%0.498SS..Hα-helixtrans-73.4-38.8-175.8-164.6174.1-169.4174.50.8113.2A152 E153 S160 F366A152-R156 PolarHBondContact O-N 3.25Å; E153-R156 PolarHBondContact O-N 3.13Å; R156-S160 PolarHBondContact O-N 3.02Å; R156-S160 VanDerWaalsContact O-N 3.12Å; R156-F366 HydrophobicContact CG-CD2 4.15Å; R156-F366 HydrophobicContact CG-CE2 3.91Å
157S71.3Confident71.5Confident70 Ų7080.1 Ų80.149%0.4947%0.465SS..Hα-helixtrans-66.8-38.6175.652.60000112.1E153 G154 S161E153-S157 PolarHBondContact O-N 2.92Å; E153-S157 PolarHBondContact O-OG 3.45Å; E153-S157 VanDerWaalsContact O-OG 3.1Å; G154-S157 PolarHBondContact O-OG 3.11Å; G154-S157 VanDerWaalsContact O-OG 3.1Å; S157-S161 PolarHBondContact O-N 3.07Å; S157-S161 PolarHBondContact O-OG 2.99Å
158N87.3Confident74.4Confident97 Ų9777.8 Ų77.852%0.51945%0.451SS..Hα-helixtrans-63.1-48.1174-169.94.6000111.7G154 S160 S161 I162G154-N158 WeakPolarHBondContact O-CB 3.44Å; G154-N158 PolarHBondContact O-N 3.42Å; N158-S160 PolarHBondContact O-N 3.16Å; N158-S161 WeakPolarHBondContact O-CB 3.5Å; N158-S161 PolarHBondContact O-N 3.29Å; N158-S161 VanDerWaalsContact O-N 3.1Å; N158-I162 WeakPolarHBondContact O-CG1 3.42Å; N158-I162 PolarHBondContact O-N 2.72Å
159L91.9Very high77.1Confident9 Ų974.7 Ų74.75%0.04743%0.43CS..Hα-helixtrans-62.5-41.2179.9-17460.7000113.1S155 S161 I162 L163 E362 E363 F366S155-L159 PolarHBondContact O-N 3.35Å; S155-L159 VanDerWaalsContact O-N 3.11Å; L159-S161 PolarHBondContact O-N 3.47Å; L159-I162 PolarHBondContact O-N 3.05Å; L159-L163 HydrophobicContact CD1-CG 4.49Å; L159-L163 HydrophobicContact CG-CD1 4.21Å; L159-L163 WeakPolarHBondContact O-CG 3.4Å; L159-L163 PolarHBondContact O-N 3.33Å; L159-E362 HydrophobicContact CD2-CG 3.84Å; L159-E363 HydrophobicContact CD1-CG 4Å; L159-F366 HydrophobicContact CD2-CB 3.58Å; L159-F366 HydrophobicContact CD2-CD2 3.9Å; L159-F366 HydrophobicContact CD2-CG 3.81Å; L159-F366 HydrophobicContact CG-CD2 4.44Å; L159-F366 HydrophobicContact CG-CG 4.43Å
160S93.1Very high79.6Confident51 Ų5168.8 Ų68.836%0.35739%0.388SS..Hα-helixtrans-57.8-40.9174.8-167.90000111.6R156 N158 L163 E164R156-S160 PolarHBondContact O-N 3.02Å; R156-S160 VanDerWaalsContact O-N 3.12Å; N158-S160 PolarHBondContact O-N 3.16Å; S160-L163 PolarHBondContact O-N 3.45Å; S160-E164 PolarHBondContact O-N 2.9Å
161S94.3Very high82.3Confident78 Ų7865.8 Ų65.855%0.54538%0.375SS..Hα-helixtrans-66.3-40.2178.4-55.70000112S157 N158 L159 E164 A165S157-S161 PolarHBondContact O-N 3.07Å; S157-S161 PolarHBondContact O-OG 2.99Å; N158-S161 WeakPolarHBondContact O-CB 3.5Å; N158-S161 PolarHBondContact O-N 3.29Å; N158-S161 VanDerWaalsContact O-N 3.1Å; L159-S161 PolarHBondContact O-N 3.47Å; S161-E164 PolarHBondContact O-N 3.37Å; S161-A165 WeakPolarHBondContact O-CB 3.11Å; S161-A165 PolarHBondContact O-N 3.49Å
162I95.4Very high84.7Confident74 Ų7466 Ų6638%0.37937%0.369SS..Hα-helixtrans-62.2-44.9175.6-68167.4000111.2N158 L159 A165 R166N158-I162 WeakPolarHBondContact O-CG1 3.42Å; N158-I162 PolarHBondContact O-N 2.72Å; L159-I162 PolarHBondContact O-N 3.05Å; I162-A165 PolarHBondContact O-N 3.03Å; I162-R166 PolarHBondContact O-N 2.9Å; I162-R166 VanDerWaalsContact O-N 3.09Å
163L95.9Very high86.7Confident7 Ų763.9 Ų63.94%0.03735%0.345CS..Hα-helixtrans-67.4-40.8-179.5-67.2173.2000112L159 S160 R166 K167 L353 E363 F366L159-L163 HydrophobicContact CD1-CG 4.49Å; L159-L163 HydrophobicContact CG-CD1 4.21Å; L159-L163 WeakPolarHBondContact O-CG 3.4Å; L159-L163 PolarHBondContact O-N 3.33Å; S160-L163 PolarHBondContact O-N 3.45Å; L163-R166 WeakPolarHBondContact O-CB 3.28Å; L163-R166 PolarHBondContact O-N 3.45Å; L163-K167 PolarHBondContact O-N 3.48Å; L163-K167 VanDerWaalsContact O-N 3.13Å; L163-L353 HydrophobicContact CD1-CD1 3.75Å; L163-L353 HydrophobicContact CD1-CG 4.34Å; L163-L353 HydrophobicContact CD2-CD1 4.48Å; L163-L353 HydrophobicContact CD2-CG 4.28Å; L163-E363 HydrophobicContact CD2-CG 4.3Å; L163-F366 HydrophobicContact CD1-CD1 3.42Å; L163-F366 VanDerWaalsContact CD1-CD1 3.42Å; L163-F366 HydrophobicContact CD1-CE1 3.47Å; L163-F366 VanDerWaalsContact CD1-CE1 3.47Å; L163-F366 HydrophobicContact CD1-CG 4.29Å; L163-F366 HydrophobicContact CD1-CZ 4.38Å
164E95.5Very high88.8Confident96 Ų9656.3 Ų56.345%0.44931%0.311SS..Hα-helixtrans-67.5-41175-74.5-55.5142.700112.4S160 S161 R166 K167 Q168S160-E164 PolarHBondContact O-N 2.9Å; S161-E164 PolarHBondContact O-N 3.37Å; E164-R166 PolarHBondContact O-N 3.23Å; E164-K167 WeakPolarHBondContact O-CB 3.35Å; E164-K167 PolarHBondContact O-N 2.04Å; E164-K167 VanDerWaalsContact O-N 3.14Å; E164-K167 IonicContact OE1-NZ 2.71Å; E164-K167 PolarHBondContact OE1-NZ 2.86Å; E164-K167 IonicContact OE2-NZ 3.39Å; E164-K167 PolarHBondContact OE2-NZ 2.81Å; E164-Q168 PolarHBondContact O-N 2.5Å
165A96.3Very high90.5Very high57 Ų5758.2 Ų58.247%0.47133%0.325SS..Hα-helixtrans-57.6-40.1173.600000111.7S161 I162 Q168 V169S161-A165 WeakPolarHBondContact O-CB 3.11Å; S161-A165 PolarHBondContact O-N 3.49Å; I162-A165 PolarHBondContact O-N 3.03Å; A165-Q168 PolarHBondContact O-N 3.22Å; A165-V169 WeakPolarHBondContact O-CG2 3.39Å; A165-V169 PolarHBondContact O-N 3.36Å
166R96.3Very high91.9Very high23 Ų2362 Ų629%0.08734%0.335CS..Hα-helixtrans-64.9-40177.1-165.2-178.9-63.6152.42.7112.4I162 L163 E164 Q168 V169 M170 I354 E363I162-R166 PolarHBondContact O-N 2.9Å; I162-R166 VanDerWaalsContact O-N 3.09Å; L163-R166 WeakPolarHBondContact O-CB 3.28Å; L163-R166 PolarHBondContact O-N 3.45Å; E164-R166 PolarHBondContact O-N 3.23Å; R166-Q168 VanDerWaalsContact C-N 3.33Å; R166-V169 PolarHBondContact O-N 3.12Å; R166-M170 PolarHBondContact O-N 3.37Å; R166-M170 VanDerWaalsContact O-N 3.07Å; R166-I354 WeakPolarHBondContact CD-O 3.45Å; R166-I354 PolarHBondContact NH1-O 3.41Å; R166-E363 IonicContact CZ-OE1 3.65Å; R166-E363 VanDerWaalsContact CZ-OE1 3.31Å; R166-E363 VanDerWaalsContact NH1-CD 3.31Å; R166-E363 IonicContact NH1-OE1 2.92Å; R166-E363 PolarHBondContact NH1-OE1 3.29Å; R166-E363 IonicContact NH1-OE2 3.46Å; R166-E363 PolarHBondContact NH1-OE2 2.91Å; R166-E363 IonicContact NH2-OE1 3.48Å; R166-E363 PolarHBondContact NH2-OE1 3.26Å
167K96.2Very high93Very high26 Ų2658 Ų5811%0.11332%0.32CS..Hα-helixtrans-63.2-39.9172.8-71.7165.566.3-174.80111.6L163 E164 M170 K171 Y351 D352L163-K167 PolarHBondContact O-N 3.48Å; L163-K167 VanDerWaalsContact O-N 3.13Å; E164-K167 WeakPolarHBondContact O-CB 3.35Å; E164-K167 PolarHBondContact O-N 2.04Å; E164-K167 VanDerWaalsContact O-N 3.14Å; E164-K167 IonicContact OE1-NZ 2.71Å; E164-K167 PolarHBondContact OE1-NZ 2.86Å; E164-K167 IonicContact OE2-NZ 3.39Å; E164-K167 PolarHBondContact OE2-NZ 2.81Å; K167-M170 WeakPolarHBondContact O-CB 3.49Å; K167-M170 PolarHBondContact O-N 3.45Å; K167-K171 WeakPolarHBondContact O-CG 3.43Å; K167-K171 PolarHBondContact O-N 3.38Å; K167-Y351 WeakPolarHBondContact CE-O 3.48Å; K167-D352 WeakPolarHBondContact CD-O 3.07Å; K167-D352 PolarHBondContact NZ-O 2.96Å
168Q96Very high93.6Very high97 Ų9758.8 Ų58.845%0.45331%0.314SS..Hα-helixtrans-65.3-40.7177.5-16957.937.400112.1E164 A165 R166 M170 K171 N172E164-Q168 PolarHBondContact O-N 2.5Å; A165-Q168 PolarHBondContact O-N 3.22Å; R166-Q168 VanDerWaalsContact C-N 3.33Å; Q168-M170 VanDerWaalsContact C-N 3.33Å; Q168-M170 PolarHBondContact O-N 2.84Å; Q168-K171 PolarHBondContact O-N 2.96Å; Q168-N172 PolarHBondContact NE2-OD1 3.31Å; Q168-N172 WeakPolarHBondContact O-CB 3.32Å; Q168-N172 PolarHBondContact O-N 3.07Å; Q168-N172 PolarHBondContact O-ND2 3.36Å; Q168-N172 PolarHBondContact O-OD1 2.82Å
169V96Very high92.9Very high34 Ų3459.1 Ų59.121%0.20632%0.324CS..Hα-helixtrans-58-47.3172.3173.80000110.6A165 R166 K171 N172 M173 N424A165-V169 WeakPolarHBondContact O-CG2 3.39Å; A165-V169 PolarHBondContact O-N 3.36Å; R166-V169 PolarHBondContact O-N 3.12Å; V169-K171 PolarHBondContact O-N 3.28Å; V169-N172 PolarHBondContact O-N 2.89Å; V169-M173 HydrophobicContact CG1-CE 4.28Å; V169-M173 HydrophobicContact CG1-CG 4.23Å; V169-M173 VanDerWaalsContact O-CG 3.3Å; V169-M173 WeakPolarHBondContact O-CG 3.49Å; V169-M173 PolarHBondContact O-N 2.97Å; V169-N424 HydrophobicContact CG1-CB 4.17Å
170M95.8Very high92Very high8 Ų862.4 Ų62.44%0.03936%0.36CS..Hα-helixtrans-57.2-49.1177.1-177.959.572.400111.9R166 K167 Q168 N172 M173 C174 P346 I354 M422 F423R166-M170 PolarHBondContact O-N 3.37Å; R166-M170 VanDerWaalsContact O-N 3.07Å; K167-M170 WeakPolarHBondContact O-CB 3.49Å; K167-M170 PolarHBondContact O-N 3.45Å; Q168-M170 VanDerWaalsContact C-N 3.33Å; Q168-M170 PolarHBondContact O-N 2.84Å; M170-N172 VanDerWaalsContact C-N 3.34Å; M170-N172 PolarHBondContact O-N 3.4Å; M170-M173 PolarHBondContact O-N 2.87Å; M170-C174 WeakPolarHBondContact O-CB 3.39Å; M170-C174 PolarHBondContact O-N 2.95Å; M170-C174 PolarHBondContact O-SG 3.11Å; M170-P346 HydrophobicContact CE-CB 3.73Å; M170-P346 HydrophobicContact CE-CG 3.66Å; M170-P346 HydrophobicContact CG-CB 4.03Å; M170-P346 HydrophobicContact SD-CB 3.63Å; M170-P346 HydrophobicContact SD-CG 3.6Å; M170-I354 HydrophobicContact CB-CD1 4.01Å; M170-I354 HydrophobicContact CE-CD1 3.94Å; M170-I354 HydrophobicContact CG-CD1 4.05Å; M170-M422 HydrophobicContact CE-CB 3.81Å; M170-M422 WeakPolarHBondContact CE-O 3.4Å; M170-M422 HydrophobicContact SD-CB 3.92Å; M170-M422 HydrophobicContact SD-CG 4.21Å; M170-M422 HydrophobicContact SD-SD 4.47Å; M170-F423 HydrophobicContact CE-CD1 3.49Å; M170-F423 VanDerWaalsContact CE-CD1 3.49Å; M170-F423 HydrophobicContact CE-CE1 3.18Å; M170-F423 HydrophobicContact CE-CG 4.37Å; M170-F423 HydrophobicContact CE-CZ 3.83Å
171K94.3Very high91.2Very high94 Ų9463.4 Ų63.441%0.40936%0.361SS..Hα-helixtrans-57.7-45.3177.7-73.7179.5177.4-177.80111.8K167 Q168 V169 C174 A175 D350K167-K171 WeakPolarHBondContact O-CG 3.43Å; K167-K171 PolarHBondContact O-N 3.38Å; Q168-K171 PolarHBondContact O-N 2.96Å; V169-K171 PolarHBondContact O-N 3.28Å; K171-C174 PolarHBondContact O-N 3.11Å; K171-A175 WeakPolarHBondContact O-CB 3.03Å; K171-A175 PolarHBondContact O-N 3.18Å; K171-D350 WeakPolarHBondContact CE-OD1 3.4Å; K171-D350 IonicContact NZ-OD1 2.71Å
172N94.9Very high90.5Very high88 Ų8863.5 Ų63.547%0.47136%0.361SS..Hα-helixtrans-62.3-44.2177.8-67.8-10.9000111.7Q168 V169 M170 A175 K176Q168-N172 PolarHBondContact NE2-OD1 3.31Å; Q168-N172 WeakPolarHBondContact O-CB 3.32Å; Q168-N172 PolarHBondContact O-N 3.07Å; Q168-N172 PolarHBondContact O-ND2 3.36Å; Q168-N172 PolarHBondContact O-OD1 2.82Å; V169-N172 PolarHBondContact O-N 2.89Å; M170-N172 VanDerWaalsContact C-N 3.34Å; M170-N172 PolarHBondContact O-N 3.4Å; N172-A175 PolarHBondContact O-N 2.55Å; N172-K176 WeakPolarHBondContact O-CB 3.37Å; N172-K176 PolarHBondContact O-N 2.77Å
173M95.1Very high89.9Confident42 Ų4271 Ų7121%0.20739%0.385CS..Hα-helixtrans-67-39.8178.3-66-57.3168.200111.9V169 M170 K176 Y177 L421 M422V169-M173 HydrophobicContact CG1-CE 4.28Å; V169-M173 HydrophobicContact CG1-CG 4.23Å; V169-M173 VanDerWaalsContact O-CG 3.3Å; V169-M173 WeakPolarHBondContact O-CG 3.49Å; V169-M173 PolarHBondContact O-N 2.97Å; M170-M173 PolarHBondContact O-N 2.87Å; M173-K176 PolarHBondContact O-N 2.69Å; M173-Y177 WeakPolarHBondContact O-CB 3.34Å; M173-Y177 WeakPolarHBondContact O-CD2 3.46Å; M173-Y177 PolarHBondContact O-N 2.84Å; M173-Y177 HydrophobicContact SD-CD2 4.25Å; M173-Y177 HydrophobicContact SD-CE2 3.78Å; M173-L421 HydrophobicContact SD-CB 4.4Å; M173-M422 HydrophobicContact CB-CG 4.05Å
174C94.1Very high89.6Confident16 Ų1675.1 Ų75.111%0.10841%0.41CS..Hα-helixtrans-64.4-43.2174.8-70.90000112.2M170 K171 K176 K178 S179 C347M170-C174 WeakPolarHBondContact O-CB 3.39Å; M170-C174 PolarHBondContact O-N 2.95Å; M170-C174 PolarHBondContact O-SG 3.11Å; K171-C174 PolarHBondContact O-N 3.11Å; C174-K176 VanDerWaalsContact C-N 3.33Å; C174-K176 PolarHBondContact O-N 2.96Å; C174-K178 CarbonylContact O-C 3.55Å; C174-K178 VanDerWaalsContact O-C 3.32Å; C174-K178 VanDerWaalsContact O-CA 3.28Å; C174-K178 WeakPolarHBondContact O-CA 3.29Å; C174-K178 WeakPolarHBondContact O-CB 3.43Å; C174-K178 PolarHBondContact O-N 3.39Å; C174-S179 PolarHBondContact O-N 3.13Å; C174-C347 WeakPolarHBondContact CA-SG 3.42Å; C174-C347 HydrophobicContact CB-CB 3.63Å; C174-C347 WeakPolarHBondContact CB-SG 3.37Å; C174-C347 WeakPolarHBondContact SG-CA 3.28Å; C174-C347 WeakPolarHBondContact SG-CB 3.39Å; C174-C347 CovalentContact SG-SG 2.04Å; C174-C347 PolarHBondContact SG-SG 3.44Å
175A93Very high89.6Confident66 Ų6671.3 Ų71.355%0.54539%0.393SS..Hα-helixtrans-61.4-41174.100000112K171 N172 S179K171-A175 WeakPolarHBondContact O-CB 3.03Å; K171-A175 PolarHBondContact O-N 3.18Å; N172-A175 PolarHBondContact O-N 2.55Å; A175-S179 VanDerWaalsContact O-CB 3.29Å; A175-S179 WeakPolarHBondContact O-CB 3.49Å
176K92.9Very high89.5Confident132 Ų13271.1 Ų71.157%0.57439%0.386SS*.Hα-helixtrans-72.1-43.8-178.4-175.4173.4178.1-170.80113.5N172 M173 C174N172-K176 WeakPolarHBondContact O-CB 3.37Å; N172-K176 PolarHBondContact O-N 2.77Å; M173-K176 PolarHBondContact O-N 2.69Å; C174-K176 VanDerWaalsContact C-N 3.33Å; C174-K176 PolarHBondContact O-N 2.96Å
177Y87.9Confident89.5Confident53 Ų5372.9 Ų72.921%0.20840%0.4CS..Hα-helixtrans-107.2-15.2-168.8-64.8-76.9000114.2L129 M173 M418 L421L129-Y177 HydrophobicContact CD1-CE1 4.31Å; M173-Y177 WeakPolarHBondContact O-CB 3.34Å; M173-Y177 WeakPolarHBondContact O-CD2 3.46Å; M173-Y177 PolarHBondContact O-N 2.84Å; M173-Y177 HydrophobicContact SD-CD2 4.25Å; M173-Y177 HydrophobicContact SD-CE2 3.78Å; Y177-M418 HydrophobicContact CD2-CE 4.14Å; Y177-M418 HydrophobicContact CG-CE 3.95Å; Y177-L421 HydrophobicContact CE2-CD1 4.08Å
178K82.6Confident89.5Confident86 Ų8675.7 Ų75.737%0.37442%0.417SS..Hα-helixtrans-134.820.1-171.6-58.8-53.8-139.6170.90114.4C174 G180 I181 C347 M422C174-K178 CarbonylContact O-C 3.55Å; C174-K178 VanDerWaalsContact O-C 3.32Å; C174-K178 VanDerWaalsContact O-CA 3.28Å; C174-K178 WeakPolarHBondContact O-CA 3.29Å; C174-K178 WeakPolarHBondContact O-CB 3.43Å; C174-K178 PolarHBondContact O-N 3.39Å; K178-G180 PolarHBondContact O-N 2.71Å; K178-G180 VanDerWaalsContact O-N 3.09Å; K178-I181 HydrophobicContact CB-CD1 3.78Å; K178-I181 HydrophobicContact CB-CG1 4.08Å; K178-I181 HydrophobicContact CD-CD1 3.53Å; K178-I181 HydrophobicContact CD-CG1 4.33Å; K178-I181 HydrophobicContact CG-CD1 3.91Å; K178-I181 PolarHBondContact O-N 3.33Å; K178-I181 VanDerWaalsContact O-N 3.16Å; K178-C347 HydrophobicContact CB-CB 4.1Å; K178-C347 HydrophobicContact CG-CB 4.28Å; K178-M422 HydrophobicContact CG-CE 4.1Å
179S73.7Confident89.6Confident105 Ų10573.3 Ų73.373%0.73441%0.405SS*.THydrogen-bonded Turntrans-57.4-24.2-178460000115.8C174 A175C174-S179 PolarHBondContact O-N 3.13Å; A175-S179 VanDerWaalsContact O-CB 3.29Å; A175-S179 WeakPolarHBondContact O-CB 3.49Å
180G73.4Confident89.7Confident78 Ų7871.7 Ų71.780%0.80440%0.396SS*.THydrogen-bonded Turntrans-99.510.7-18000000115.6K178K178-G180 PolarHBondContact O-N 2.71Å; K178-G180 VanDerWaalsContact O-N 3.09Å
181I76.4Confident89.7Confident72 Ų7274.2 Ų74.237%0.36941%0.407SS..SBendtrans-74.6134.5178-67.5-168.3000110.1K178 R183 L348K178-I181 HydrophobicContact CB-CD1 3.78Å; K178-I181 HydrophobicContact CB-CG1 4.08Å; K178-I181 HydrophobicContact CD-CD1 3.53Å; K178-I181 HydrophobicContact CD-CG1 4.33Å; K178-I181 HydrophobicContact CG-CD1 3.91Å; K178-I181 PolarHBondContact O-N 3.33Å; K178-I181 VanDerWaalsContact O-N 3.16Å; I181-R183 PolarHBondContact O-N 2.98Å; I181-L348 HydrophobicContact CG2-CD2 3.62Å; I181-L348 HydrophobicContact CG2-CG 4.41Å
182S78.6Confident89.9Confident79 Ų7972.4 Ų72.455%0.55240%0.397SS*.  trans-54.4128.5169.9176.20000110.5T184 L348S182-T184 PolarHBondContact O-N 2.89Å; S182-T184 PolarHBondContact OG-N 3.43Å; S182-T184 PolarHBondContact OG-OG1 3.2Å; S182-L348 WeakPolarHBondContact O-CD2 3.19Å
183R82Confident90.1Very high233 Ų23368.3 Ų68.388%0.87938%0.376SS*.  trans-76.61.5177.7-63.9-173.7179.2167.40.2113.2I181 I185I181-R183 PolarHBondContact O-N 2.98Å; R183-I185 PolarHBondContact O-N 3.12Å
184T90.8Very high90.3Very high92 Ų9268 Ų6856%0.56437%0.372SS*.  trans-70.5115177-55.40000110.4S182S182-T184 PolarHBondContact O-N 2.89Å; S182-T184 PolarHBondContact OG-N 3.43Å; S182-T184 PolarHBondContact OG-OG1 3.2Å
185I94.3Very high90.5Very high17 Ų1767.7 Ų67.79%0.08737%0.37CS..  trans-86125.2175.5-60.8177.4000108.7R183 H189 V190 Q250 M254 L257R183-I185 PolarHBondContact O-N 3.12Å; I185-H189 HydrophobicContact CG2-CB 4.34Å; I185-V190 HydrophobicContact CG2-CG1 3.71Å; I185-Q250 PolarHBondContact O-NE2 3.42Å; I185-M254 HydrophobicContact CB-SD 4.31Å; I185-M254 HydrophobicContact CD1-SD 4.44Å; I185-L257 HydrophobicContact CD1-CD1 3.63Å; I185-L257 HydrophobicContact CG2-CD1 3.98Å
186T95.1Very high90.7Very high53 Ų5364.8 Ų64.833%0.32535%0.345SS..  trans-104.6162.7175.669.50000109.6D188 H189T186-D188 PolarHBondContact O-N 2.98Å; T186-D188 VanDerWaalsContact O-N 3.15Å; T186-D188 PolarHBondContact OG1-N 3.35Å; T186-H189 PolarHBondContact N-ND1 3.32Å; T186-H189 PolarHBondContact O-N 3.47Å; T186-H189 VanDerWaalsContact O-N 3.12Å; T186-H189 PolarHBondContact OG1-ND1 3.13Å
187P96.8Very high91Very high59 Ų5962.4 Ų62.438%0.38334%0.336SS..G310 helixtrans-55.2-30.4173.9-28.436.3000113.7V190 K191 N246 I253P187-V190 WeakPolarHBondContact O-CG2 3.02Å; P187-V190 PolarHBondContact O-N 3.13Å; P187-K191 PolarHBondContact O-N 3.24Å; P187-N246 HydrophobicContact CB-CB 4.1Å; P187-N246 WeakPolarHBondContact O-CB 3.21Å; P187-I253 HydrophobicContact CG-CD1 4.38Å
188D96.3Very high91.4Very high86 Ų8666.3 Ų66.346%0.4635%0.354SS..G310 helixtrans-66.1-38.8178.9-16667.4000112.2T186 V190 K191T186-D188 PolarHBondContact O-N 2.98Å; T186-D188 VanDerWaalsContact O-N 3.15Å; T186-D188 PolarHBondContact OG1-N 3.35Å; D188-V190 PolarHBondContact O-N 3.27Å; D188-V190 VanDerWaalsContact O-N 3.13Å; D188-K191 VanDerWaalsContact O-CG 3.3Å; D188-K191 WeakPolarHBondContact O-CG 3.45Å; D188-K191 PolarHBondContact O-N 3.3Å; D188-K191 WeakPolarHBondContact OD1-CD 3.03Å; D188-K191 WeakPolarHBondContact OD1-CE 3.23Å; D188-K191 IonicContact OD1-NZ 2.79Å; D188-K191 PolarHBondContact OD1-NZ 3.17Å; D188-K191 IonicContact OD2-NZ 3.69Å; D188-K191 PolarHBondContact OD2-NZ 2.94Å
189H96.6Very high92.2Very high46 Ų4664.6 Ų64.621%0.21335%0.346CS..G310 helixtrans-63.4-18.9177.9-60.9150.7000113.5I185 T186 H345 L348I185-H189 HydrophobicContact CG2-CB 4.34Å; T186-H189 PolarHBondContact N-ND1 3.32Å; T186-H189 PolarHBondContact O-N 3.47Å; T186-H189 VanDerWaalsContact O-N 3.12Å; T186-H189 PolarHBondContact OG1-ND1 3.13Å; H189-H345 AromaticContact CD2-CE1 3.72Å; H189-H345 AromaticContact CD2-NE2 3.75Å; H189-H345 PolarHBondContact O-CD2 3.28Å; H189-H345 VanDerWaalsContact O-CD2 3.25Å; H189-L348 HydrophobicContact CB-CD1 4.43Å
190V98Very high93.3Very high0 Ų065.5 Ų65.50%034%0.336CS..G310 helixtrans-118.211.1-175-59.90000113.3I185 P187 D188 Y192 I193 L245 N246 I253 L257 I349I185-V190 HydrophobicContact CG2-CG1 3.71Å; P187-V190 WeakPolarHBondContact O-CG2 3.02Å; P187-V190 PolarHBondContact O-N 3.13Å; D188-V190 PolarHBondContact O-N 3.27Å; D188-V190 VanDerWaalsContact O-N 3.13Å; V190-Y192 PolarHBondContact O-N 3.15Å; V190-I193 HydrophobicContact CB-CD1 4.14Å; V190-I193 HydrophobicContact CG1-CD1 4.08Å; V190-I193 PolarHBondContact O-N 3.12Å; V190-I193 VanDerWaalsContact O-N 3.1Å; V190-L245 HydrophobicContact CB-CB 4.18Å; V190-L245 HydrophobicContact CB-CD2 3.97Å; V190-L245 HydrophobicContact CB-CG 4.17Å; V190-L245 HydrophobicContact CG1-CD2 4.13Å; V190-L245 HydrophobicContact CG2-CB 4.25Å; V190-L245 HydrophobicContact CG2-CD2 4.38Å; V190-L245 HydrophobicContact CG2-CG 4.12Å; V190-N246 HydrophobicContact CG2-CB 4.11Å; V190-I253 HydrophobicContact CG2-CD1 4.21Å; V190-I253 HydrophobicContact CG2-CG2 4.26Å; V190-L257 HydrophobicContact CG1-CD1 4.35Å; V190-I349 HydrophobicContact CG1-CD1 3.99Å
191K97.8Very high94.5Very high62 Ų6261.8 Ų61.827%0.2730%0.298SS..THydrogen-bonded Turntrans-66-23-175.872.6-170.8165.9-167.50114.8P187 D188 T244 N246P187-K191 PolarHBondContact O-N 3.24Å; D188-K191 VanDerWaalsContact O-CG 3.3Å; D188-K191 WeakPolarHBondContact O-CG 3.45Å; D188-K191 PolarHBondContact O-N 3.3Å; D188-K191 WeakPolarHBondContact OD1-CD 3.03Å; D188-K191 WeakPolarHBondContact OD1-CE 3.23Å; D188-K191 IonicContact OD1-NZ 2.79Å; D188-K191 PolarHBondContact OD1-NZ 3.17Å; D188-K191 IonicContact OD2-NZ 3.69Å; D188-K191 PolarHBondContact OD2-NZ 2.94Å; K191-T244 WeakPolarHBondContact O-CG2 3.18Å; K191-N246 HydrophobicContact CB-CB 4.1Å
192Y98.1Very high95.6Very high55 Ų5558.4 Ų58.422%0.21628%0.281CS..THydrogen-bonded Turntrans-96.96.8176.5-57.4-59.6000113.4V190 E205 I335 L343V190-Y192 PolarHBondContact O-N 3.15Å; Y192-E205 PolarHBondContact O-N 2.79Å; Y192-I335 HydrophobicContact CE1-CG2 3.68Å; Y192-I335 WeakPolarHBondContact OH-CG2 3.39Å; Y192-L343 HydrophobicContact CD2-CB 4.3Å; Y192-L343 HydrophobicContact CD2-CD2 3.84Å; Y192-L343 WeakPolarHBondContact CD2-O 3.41Å; Y192-L343 HydrophobicContact CE2-CD2 3.55Å
193I98.8Very high96.6Very high3 Ų354.7 Ų54.72%0.01525%0.254CS..EExtended strand (participates in β ladder)trans-94.6118.6178.5-59.9-177.5000109V190 L202 Y203 C204 T244 L245 I349V190-I193 HydrophobicContact CB-CD1 4.14Å; V190-I193 HydrophobicContact CG1-CD1 4.08Å; V190-I193 PolarHBondContact O-N 3.12Å; V190-I193 VanDerWaalsContact O-N 3.1Å; I193-L202 HydrophobicContact CG2-CB 3.73Å; I193-L202 HydrophobicContact CG2-CD2 4.04Å; I193-L202 HydrophobicContact CG2-CG 4.32Å; I193-Y203 CarbonylContact C-O 3.59Å; I193-Y203 WeakPolarHBondContact CA-O 3.48Å; I193-C204 HydrophobicContact CG1-CB 4.02Å; I193-T244 CarbonylContact O-C 3.5Å; I193-T244 WeakPolarHBondContact O-CA 3.43Å; I193-L245 HydrophobicContact CB-CB 4.04Å; I193-L245 HydrophobicContact CB-CD2 4.39Å; I193-L245 HydrophobicContact CG2-CB 4.13Å; I193-L245 HydrophobicContact CG2-CD2 4.05Å; I193-L245 PolarHBondContact O-N 3.27Å; I193-I349 HydrophobicContact CD1-CD1 3.41Å; I193-I349 VanDerWaalsContact CD1-CD1 3.41Å
194Y98.7Very high97.4Very high35 Ų3543.6 Ų43.614%0.13721%0.213CC..EExtended strand (participates in β ladder)trans-87.1143.3172-71.3-81.8000111L202 Y203 E205 K215 L242 K243 T244Y194-L202 WeakPolarHBondContact O-CA 3.34Å; Y194-Y203 HydrophobicContact CD2-CD1 4.3Å; Y194-Y203 PolarHBondContact N-O 3.16Å; Y194-Y203 PolarHBondContact O-N 3.45Å; Y194-E205 HydrophobicContact CD2-CB 4.18Å; Y194-E205 HydrophobicContact CE2-CB 3.85Å; Y194-E205 WeakPolarHBondContact CE2-OE2 3.46Å; Y194-E205 PolarHBondContact OH-OE2 3.16Å; Y194-K215 VanDerWaalsContact OH-CE 3.28Å; Y194-K215 WeakPolarHBondContact OH-CE 3.47Å; Y194-K215 PolarHBondContact OH-NZ 2.88Å; Y194-L242 HydrophobicContact CD1-CB 3.55Å; Y194-L242 HydrophobicContact CD1-CD1 4.22Å; Y194-L242 HydrophobicContact CE1-CB 4.12Å; Y194-L242 HydrophobicContact CG-CB 4.42Å; Y194-L242 HydrophobicContact CG-CD1 4.45Å; Y194-K243 WeakPolarHBondContact CA-O 3.34Å; Y194-T244 HydrophobicContact CD1-CG2 3.86Å; Y194-T244 HydrophobicContact CE1-CG2 3.54Å; Y194-T244 HydrophobicContact CE2-CG2 4.47Å; Y194-T244 HydrophobicContact CG-CG2 4.5Å
195V98.6Very high97.7Very high9 Ų939.8 Ų39.86%0.05519%0.189CC..EExtended strand (participates in β ladder)trans-107.2125.9179.6-170.60000109.4E197 L202 K243 L245 F248 Y260V195-E197 HydrophobicContact CG1-CG 4.25Å; V195-E197 VanDerWaalsContact CG1-OE1 3.26Å; V195-E197 WeakPolarHBondContact CG1-OE1 3.23Å; V195-L202 HydrophobicContact CB-CD2 4.22Å; V195-L202 HydrophobicContact CG1-CD2 4.1Å; V195-L202 HydrophobicContact CG2-CD2 3.75Å; V195-K243 PolarHBondContact N-O 2.77Å; V195-L245 HydrophobicContact CG2-CB 3.84Å; V195-L245 HydrophobicContact CG2-CD1 3.77Å; V195-L245 HydrophobicContact CG2-CG 4.39Å; V195-F248 HydrophobicContact CB-CE2 4.2Å; V195-F248 HydrophobicContact CG1-CZ 4.5Å; V195-F248 HydrophobicContact CG2-CD2 4.37Å; V195-F248 HydrophobicContact CG2-CE2 3.71Å; V195-F248 HydrophobicContact CG2-CZ 4.44Å; V195-Y260 HydrophobicContact CG1-CD2 4.38Å; V195-Y260 HydrophobicContact CG1-CE2 3.9Å
196E98.1Very high97.9Very high6 Ų639 Ų393%0.02818%0.184CC..EExtended strand (participates in β ladder)trans-116.8116.5165.1-160.3-58.6111.500107.4K198 Y199 K200 V201 L218 L221 S222E196-K198 WeakPolarHBondContact OE1-CB 3.46Å; E196-K198 PolarHBondContact OE1-N 3.04Å; E196-K198 PolarHBondContact OE2-N 3.23Å; E196-Y199 WeakPolarHBondContact OE2-CB 3.36Å; E196-Y199 WeakPolarHBondContact OE2-CD2 3.24Å; E196-Y199 PolarHBondContact OE2-N 2.8Å; E196-K200 WeakPolarHBondContact O-CA 3.36Å; E196-K200 PolarHBondContact O-N 3.34Å; E196-V201 HydrophobicContact CB-CG2 3.65Å; E196-V201 HydrophobicContact CG-CG2 4.5Å; E196-V201 PolarHBondContact N-O 2.88Å; E196-V201 PolarHBondContact O-N 3.01Å; E196-L218 HydrophobicContact CB-CD2 3.99Å; E196-L218 HydrophobicContact CG-CB 4.42Å; E196-L218 HydrophobicContact CG-CD2 4.31Å; E196-L221 HydrophobicContact CG-CB 4.17Å; E196-S222 WeakPolarHBondContact OE1-CA 3.46Å
197E97.7Very high98.1Very high81 Ų8136.6 Ų36.638%0.37917%0.17SC..THydrogen-bonded Turntrans-82.6-33.2-167.1-64.9-82.1155.300112.2V195 K200 R256 Y260V195-E197 HydrophobicContact CG1-CG 4.25Å; V195-E197 VanDerWaalsContact CG1-OE1 3.26Å; V195-E197 WeakPolarHBondContact CG1-OE1 3.23Å; E197-K200 PolarHBondContact O-N 3.46Å; E197-R256 IonicContact OE1-CZ 3.02Å; E197-R256 VanDerWaalsContact OE1-CZ 3.23Å; E197-R256 IonicContact OE1-NE 3.46Å; E197-R256 PolarHBondContact OE1-NE 2.7Å; E197-R256 IonicContact OE1-NH2 3.9Å; E197-R256 PolarHBondContact OE1-NH2 3.5Å; E197-R256 IonicContact OE2-CZ 2.86Å; E197-R256 IonicContact OE2-NE 2.86Å; E197-R256 IonicContact OE2-NH2 3.23Å; E197-R256 PolarHBondContact OE2-NH2 2.93Å; E197-R256 VanDerWaalsContact OE2-NH2 3.13Å; E197-Y260 PolarHBondContact OE2-OH 2.95Å
198K97.6Very high98.1Very high136 Ų13635.4 Ų35.459%0.59116%0.159SC*.THydrogen-bonded Turntrans-68.3-44.4-171.9-177.4177.4172.7-174.10111.9E196 L221E196-K198 WeakPolarHBondContact OE1-CB 3.46Å; E196-K198 PolarHBondContact OE1-N 3.04Å; E196-K198 PolarHBondContact OE2-N 3.23Å; K198-L221 WeakPolarHBondContact CD-O 3.05Å
199Y98.1Very high98.2Very high50 Ų5031.3 Ų31.320%0.19614%0.137CC..THydrogen-bonded Turntrans-96.83.4177.6-66.2-89.6000112.3E196 V201 L221 I371 G372E196-Y199 WeakPolarHBondContact OE2-CB 3.36Å; E196-Y199 WeakPolarHBondContact OE2-CD2 3.24Å; E196-Y199 PolarHBondContact OE2-N 2.8Å; Y199-V201 PolarHBondContact O-N 3.41Å; Y199-L221 HydrophobicContact CD2-CB 3.78Å; Y199-L221 HydrophobicContact CD2-CD2 3.71Å; Y199-L221 HydrophobicContact CD2-CG 4.23Å; Y199-L221 HydrophobicContact CE1-CD2 4.32Å; Y199-L221 HydrophobicContact CE2-CB 3.91Å; Y199-L221 HydrophobicContact CE2-CD2 3.45Å; Y199-L221 VanDerWaalsContact CE2-CD2 3.45Å; Y199-L221 HydrophobicContact CE2-CG 4.27Å; Y199-L221 WeakPolarHBondContact CE2-O 3.44Å; Y199-L221 HydrophobicContact CG-CD2 4.23Å; Y199-I371 WeakPolarHBondContact CD1-O 3.5Å; Y199-G372 WeakPolarHBondContact CE1-O 3.16Å
200K98.3Very high98.1Very high123 Ų12330 Ų3054%0.53514%0.135SC..THydrogen-bonded Turntrans51.455.4179.1-60.4-178.4-179.6177.40111.9E196 E197 Y260 K261E196-K200 WeakPolarHBondContact O-CA 3.36Å; E196-K200 PolarHBondContact O-N 3.34Å; E197-K200 PolarHBondContact O-N 3.46Å; K200-Y260 HydrophobicContact CB-CD1 3.77Å; K200-Y260 HydrophobicContact CB-CD2 4.09Å; K200-Y260 HydrophobicContact CB-CE1 3.92Å; K200-Y260 HydrophobicContact CB-CE2 4.21Å; K200-Y260 HydrophobicContact CB-CG 3.86Å; K200-Y260 HydrophobicContact CD-CE1 4.25Å; K200-Y260 HydrophobicContact CG-CD1 4.23Å; K200-Y260 HydrophobicContact CG-CE1 3.89Å; K200-Y260 CarbonylContact O-C 3.43Å; K200-Y260 WeakPolarHBondContact O-CA 3.34Å; K200-Y260 WeakPolarHBondContact O-CB 3.49Å; K200-K261 PolarHBondContact O-N 2.84Å
201V98.7Very high98Very high1 Ų130.4 Ų30.41%0.00614%0.138CC..EExtended strand (participates in β ladder)trans-117.9147.3178.8-59.40000112.8E196 Y199 L218 K261 F263 I371E196-V201 HydrophobicContact CB-CG2 3.65Å; E196-V201 HydrophobicContact CG-CG2 4.5Å; E196-V201 PolarHBondContact N-O 2.88Å; E196-V201 PolarHBondContact O-N 3.01Å; Y199-V201 PolarHBondContact O-N 3.41Å; V201-L218 HydrophobicContact CG2-CD2 3.76Å; V201-K261 CarbonylContact C-O 3.58Å; V201-K261 VanDerWaalsContact CA-O 3.24Å; V201-K261 WeakPolarHBondContact CA-O 3.47Å; V201-K261 HydrophobicContact CG1-CB 4.29Å; V201-F263 HydrophobicContact CB-CE1 4.12Å; V201-F263 HydrophobicContact CG2-CE1 4.25Å; V201-I371 HydrophobicContact CG1-CB 4.23Å; V201-I371 HydrophobicContact CG1-CD1 3.99Å; V201-I371 HydrophobicContact CG1-CG2 3.76Å
202L98.9Very high98Very high1 Ų128.4 Ų28.41%0.00513%0.132CC..EExtended strand (participates in β ladder)trans-118.1117.4173.7-66.2-178.9000108.9I193 Y194 V195 L245 R256 L257 Y260 K261 K262 F263I193-L202 HydrophobicContact CG2-CB 3.73Å; I193-L202 HydrophobicContact CG2-CD2 4.04Å; I193-L202 HydrophobicContact CG2-CG 4.32Å; Y194-L202 WeakPolarHBondContact O-CA 3.34Å; V195-L202 HydrophobicContact CB-CD2 4.22Å; V195-L202 HydrophobicContact CG1-CD2 4.1Å; V195-L202 HydrophobicContact CG2-CD2 3.75Å; L202-L245 HydrophobicContact CD1-CD2 4.03Å; L202-L245 HydrophobicContact CD2-CD1 4.35Å; L202-L245 HydrophobicContact CD2-CD2 4.21Å; L202-R256 HydrophobicContact CD1-CB 4.25Å; L202-R256 HydrophobicContact CD2-CB 4.37Å; L202-L257 HydrophobicContact CD1-CD2 3.97Å; L202-L257 HydrophobicContact CD1-CG 4.49Å; L202-Y260 HydrophobicContact CD2-CD2 4.05Å; L202-Y260 HydrophobicContact CG-CD2 4.13Å; L202-Y260 HydrophobicContact CG-CG 4.38Å; L202-K261 PolarHBondContact N-O 3.31Å; L202-K262 HydrophobicContact CB-CB 4.47Å; L202-K262 HydrophobicContact CB-CG 3.85Å; L202-K262 HydrophobicContact CD1-CD 4.41Å; L202-K262 HydrophobicContact CD1-CG 3.77Å; L202-K262 HydrophobicContact CG-CG 4.3Å; L202-K262 CarbonylContact O-C 3.38Å; L202-K262 WeakPolarHBondContact O-CA 3.42Å; L202-F263 PolarHBondContact O-N 3.29Å
203Y98.8Very high97.9Very high0 Ų026.5 Ų26.50%013%0.126CC..EExtended strand (participates in β ladder)trans-110.1114.8-179.6170.1-123.8000110.8I193 Y194 E205 C211 W214 L218 F263I193-Y203 CarbonylContact C-O 3.59Å; I193-Y203 WeakPolarHBondContact CA-O 3.48Å; Y194-Y203 HydrophobicContact CD2-CD1 4.3Å; Y194-Y203 PolarHBondContact N-O 3.16Å; Y194-Y203 PolarHBondContact O-N 3.45Å; Y203-E205 HydrophobicContact CE1-CB 4.31Å; Y203-E205 PolarHBondContact O-N 2.83Å; Y203-C211 VanDerWaalsContact OH-CA 3.23Å; Y203-C211 WeakPolarHBondContact OH-CA 3.4Å; Y203-C211 WeakPolarHBondContact OH-CB 3.24Å; Y203-W214 HydrophobicContact CD1-CB 4.13Å; Y203-W214 HydrophobicContact CE1-CB 3.56Å; Y203-W214 HydrophobicContact CE1-CG 4.36Å; Y203-W214 HydrophobicContact CE2-CB 4.04Å; Y203-W214 AromaticContact CE2-CG 3.95Å; Y203-W214 HydrophobicContact CE2-CG 3.95Å; Y203-W214 AromaticContact CZ-CG 3.86Å; Y203-L218 HydrophobicContact CD1-CD1 3.62Å; Y203-L218 HydrophobicContact CG-CD1 3.88Å; Y203-F263 WeakPolarHBondContact CA-O 3.32Å; Y203-F263 AromaticContact CD2-CD2 3.72Å; Y203-F263 HydrophobicContact CD2-CD2 3.72Å; Y203-F263 HydrophobicContact CD2-CE1 4.38Å; Y203-F263 AromaticContact CD2-CE2 3.22Å; Y203-F263 HydrophobicContact CD2-CE2 3.22Å; Y203-F263 HydrophobicContact CD2-CG 4.48Å; Y203-F263 AromaticContact CD2-CZ 3.62Å; Y203-F263 HydrophobicContact CD2-CZ 3.62Å; Y203-F263 HydrophobicContact CE2-CD2 4.37Å; Y203-F263 AromaticContact CE2-CE2 3.91Å; Y203-F263 HydrophobicContact CE2-CE2 3.91Å; Y203-F263 HydrophobicContact CG-CE1 4.44Å; Y203-F263 AromaticContact CG-CE2 3.91Å; Y203-F263 HydrophobicContact CG-CE2 3.91Å; Y203-F263 AromaticContact CG-CZ 3.8Å; Y203-F263 HydrophobicContact CG-CZ 3.8Å
204C98.8Very high97.9Very high0 Ų026.5 Ų26.50%013%0.125CC..EExtended strand (participates in β ladder)trans-81.4119.7170.5-1680000111.4I193 V206 F263 M264 C344 Y351I193-C204 HydrophobicContact CG1-CB 4.02Å; C204-V206 PolarHBondContact O-N 3.13Å; C204-F263 PolarHBondContact N-O 3.09Å; C204-M264 HydrophobicContact CB-CB 4.06Å; C204-C344 HydrophobicContact CB-CB 3.87Å; C204-C344 WeakPolarHBondContact CB-SG 3.4Å; C204-C344 WeakPolarHBondContact SG-CA 3.48Å; C204-C344 WeakPolarHBondContact SG-CB 3.47Å; C204-C344 CovalentContact SG-SG 2.03Å; C204-C344 PolarHBondContact SG-SG 2.91Å; C204-Y351 HydrophobicContact CB-CE1 3.87Å; C204-Y351 VanDerWaalsContact CB-OH 3.24Å; C204-Y351 WeakPolarHBondContact CB-OH 3.29Å
205E98.3Very high97.9Very high13 Ų1325 Ų256%0.06112%0.12CC..  trans-71.6118.8175.3171.3168.5-137.400111.3Y192 Y194 Y203 P207 C211 K215Y192-E205 PolarHBondContact O-N 2.79Å; Y194-E205 HydrophobicContact CD2-CB 4.18Å; Y194-E205 HydrophobicContact CE2-CB 3.85Å; Y194-E205 WeakPolarHBondContact CE2-OE2 3.46Å; Y194-E205 PolarHBondContact OH-OE2 3.16Å; Y203-E205 HydrophobicContact CE1-CB 4.31Å; Y203-E205 PolarHBondContact O-N 2.83Å; E205-P207 HydrophobicContact CG-CG 4.24Å; E205-C211 HydrophobicContact CG-CB 3.78Å; E205-C211 PolarHBondContact OE1-SG 3.14Å; E205-K215 VanDerWaalsContact CD-CE 3.47Å; E205-K215 VanDerWaalsContact OE1-CE 3.29Å; E205-K215 WeakPolarHBondContact OE1-CE 3.38Å; E205-K215 IonicContact OE1-NZ 3.77Å; E205-K215 PolarHBondContact OE1-NZ 3.08Å; E205-K215 WeakPolarHBondContact OE2-CE 3.13Å; E205-K215 IonicContact OE2-NZ 3.8Å; E205-K215 PolarHBondContact OE2-NZ 2.71Å
206V98.5Very high97.8Very high0 Ų024.7 Ų24.70%012%0.117CC..  trans-109.7108.7160.8-178.90000108C204 S209 M264 F265 M340C204-V206 PolarHBondContact O-N 3.13Å; V206-S209 WeakPolarHBondContact CG1-OG 3.17Å; V206-S209 WeakPolarHBondContact O-CB 3.41Å; V206-S209 PolarHBondContact O-N 2.92Å; V206-M264 HydrophobicContact CG2-CE 3.72Å; V206-F265 WeakPolarHBondContact CB-O 3.47Å; V206-M340 HydrophobicContact CG1-CB 4.31Å; V206-M340 HydrophobicContact CG1-CG 3.55Å; V206-M340 HydrophobicContact CG1-SD 3.76Å
207P98.1Very high97.8Very high2 Ų224.4 Ų24.41%0.01312%0.116CC..THydrogen-bonded Turntrans-58.5148.8179.1-24.634.1000112.1E205 S209 R272 I335 H336E205-P207 HydrophobicContact CG-CG 4.24Å; P207-S209 PolarHBondContact O-N 3.39Å; P207-R272 PolarHBondContact O-NH1 3.37Å; P207-I335 HydrophobicContact CG-CB 4.28Å; P207-I335 HydrophobicContact CG-CD1 3.99Å; P207-I335 HydrophobicContact CG-CG1 3.98Å; P207-H336 HydrophobicContact CB-CB 4.44Å
208K97.8Very high97.9Very high35 Ų3520.6 Ų20.615%0.15210%0.098CC..THydrogen-bonded Turntrans65.39.8-178.2-34.3-51.6-65.71690115.4R267 R272 S275 A276 D279K208-R267 VanDerWaalsContact O-CD 3.23Å; K208-R267 WeakPolarHBondContact O-CD 3.34Å; K208-R267 PolarHBondContact O-NH1 3.45Å; K208-R272 HydrophobicContact CB-CG 3.85Å; K208-S275 WeakPolarHBondContact CE-O 3.36Å; K208-S275 WeakPolarHBondContact CE-OG 3.46Å; K208-A276 HydrophobicContact CD-CB 4.41Å; K208-A276 HydrophobicContact CG-CB 3.97Å; K208-D279 IonicContact NZ-OD1 2.77Å; K208-D279 PolarHBondContact NZ-OD1 2.94Å; K208-D279 IonicContact NZ-OD2 3.31Å; K208-D279 PolarHBondContact NZ-OD2 3.48Å
209S97.6Very high97.9Very high0 Ų014.1 Ų14.10%07%0.07CC..THydrogen-bonded Turntrans-110.934171.9-51.50000112.2V206 P207 F265 R267 F357 M360V206-S209 WeakPolarHBondContact CG1-OG 3.17Å; V206-S209 WeakPolarHBondContact O-CB 3.41Å; V206-S209 PolarHBondContact O-N 2.92Å; P207-S209 PolarHBondContact O-N 3.39Å; S209-F265 VanDerWaalsContact CB-O 3.24Å; S209-F265 WeakPolarHBondContact CB-O 3.44Å; S209-R267 WeakPolarHBondContact OG-CB 3.42Å; S209-F357 VanDerWaalsContact C-CD2 3.43Å; S209-M360 WeakPolarHBondContact O-CE 3.3Å
210G95.9Very high97.9Very high18 Ų1812.9 Ų12.919%0.1867%0.068CC..THydrogen-bonded Turntrans83.117.2179.900000115.3S212 N213 W214G210-S212 VanDerWaalsContact C-N 3.34Å; G210-S212 PolarHBondContact O-N 2.97Å; G210-N213 PolarHBondContact O-N 2.92Å; G210-N213 VanDerWaalsContact O-N 3.15Å; G210-W214 PolarHBondContact O-N 2.69Å
211C95.9Very high97.9Very high9 Ų97.2 Ų7.26%0.0614%0.043CC..Hα-helixtrans-60.5-35.3-171.964.20000115.5Y203 E205 N213 W214 K215Y203-C211 VanDerWaalsContact OH-CA 3.23Å; Y203-C211 WeakPolarHBondContact OH-CA 3.4Å; Y203-C211 WeakPolarHBondContact OH-CB 3.24Å; E205-C211 HydrophobicContact CG-CB 3.78Å; E205-C211 PolarHBondContact OE1-SG 3.14Å; C211-N213 VanDerWaalsContact C-N 3.32Å; C211-N213 PolarHBondContact O-N 3.49Å; C211-W214 PolarHBondContact O-N 3.34Å; C211-K215 WeakPolarHBondContact O-CG 3.42Å; C211-K215 PolarHBondContact O-N 3.49Å
212S96.3Very high97.7Very high20 Ų208.7 Ų8.714%0.145%0.053CC..Hα-helixtrans-64.7-37.5177.9-48.20000112G210 K215 R216 H237 D384G210-S212 VanDerWaalsContact C-N 3.34Å; G210-S212 PolarHBondContact O-N 2.97Å; S212-K215 PolarHBondContact O-N 3.43Å; S212-R216 WeakPolarHBondContact O-CG 3.49Å; S212-R216 PolarHBondContact O-N 3.5Å; S212-H237 PolarHBondContact OG-CE1 3.13Å; S212-H237 PolarHBondContact OG-NE2 2.92Å; S212-D384 WeakPolarHBondContact CB-OD2 3.23Å; S212-D384 PolarHBondContact OG-OD2 3.17Å
213N97.3Very high97.6Very high15 Ų1511.5 Ų11.58%0.088%0.083CC..Hα-helixtrans-73.4-35.1178.1-67-1.9000111.3G210 C211 R216 T217 L379 P380 F382G210-N213 PolarHBondContact O-N 2.92Å; G210-N213 VanDerWaalsContact O-N 3.15Å; C211-N213 VanDerWaalsContact C-N 3.32Å; C211-N213 PolarHBondContact O-N 3.49Å; N213-R216 PolarHBondContact O-N 3.42Å; N213-T217 WeakPolarHBondContact O-CB 3.27Å; N213-T217 PolarHBondContact O-N 3.36Å; N213-T217 PolarHBondContact O-OG1 3.39Å; N213-L379 HydrophobicContact CB-CD1 4.3Å; N213-L379 HydrophobicContact CB-CG 4.29Å; N213-P380 HydrophobicContact CB-CB 4.39Å; N213-P380 PolarHBondContact ND2-O 3.5Å; N213-F382 PolarHBondContact ND2-O 2.88Å; N213-F382 VanDerWaalsContact ND2-O 3.13Å
214W98.1Very high97.4Very high2 Ų216.9 Ų16.91%0.00811%0.106CC..Hα-helixtrans-62.8-46.1169.6-82.9114.4000112Y203 G210 C211 R216 T217 L218 F263 F265 M360 L367 L379Y203-W214 HydrophobicContact CD1-CB 4.13Å; Y203-W214 HydrophobicContact CE1-CB 3.56Å; Y203-W214 HydrophobicContact CE1-CG 4.36Å; Y203-W214 HydrophobicContact CE2-CB 4.04Å; Y203-W214 AromaticContact CE2-CG 3.95Å; Y203-W214 HydrophobicContact CE2-CG 3.95Å; Y203-W214 AromaticContact CZ-CG 3.86Å; G210-W214 PolarHBondContact O-N 2.69Å; C211-W214 PolarHBondContact O-N 3.34Å; W214-R216 PolarHBondContact O-N 2.89Å; W214-T217 WeakPolarHBondContact O-CB 3.23Å; W214-T217 PolarHBondContact O-N 3.28Å; W214-T217 VanDerWaalsContact O-N 3.16Å; W214-L218 VanDerWaalsContact O-CG 3.31Å; W214-L218 WeakPolarHBondContact O-CG 3.38Å; W214-L218 PolarHBondContact O-N 3.06Å; W214-F263 AromaticContact CD2-CE2 3.72Å; W214-F263 HydrophobicContact CD2-CE2 3.72Å; W214-F263 HydrophobicContact CD2-CZ 4.28Å; W214-F263 AromaticContact CE3-CE2 3.53Å; W214-F263 HydrophobicContact CE3-CE2 3.53Å; W214-F263 AromaticContact CE3-CZ 3.68Å; W214-F263 HydrophobicContact CE3-CZ 3.68Å; W214-F263 HydrophobicContact CG-CE2 4.44Å; W214-F263 HydrophobicContact CH2-CE2 4.07Å; W214-F263 HydrophobicContact CZ2-CE2 4.22Å; W214-F263 AromaticContact CZ3-CE2 3.71Å; W214-F263 HydrophobicContact CZ3-CE2 3.71Å; W214-F263 AromaticContact CZ3-CZ 3.84Å; W214-F263 HydrophobicContact CZ3-CZ 3.84Å; W214-F265 AromaticContact CE2-CD2 3.54Å; W214-F265 AromaticContact CE2-CE2 3.51Å; W214-F265 AromaticContact CH2-CE2 3.98Å; W214-F265 HydrophobicContact CH2-CE2 3.98Å; W214-F265 HydrophobicContact CH2-CZ 4.39Å; W214-F265 AromaticContact CZ2-CD2 3.68Å; W214-F265 HydrophobicContact CZ2-CD2 3.68Å; W214-F265 HydrophobicContact CZ2-CE1 4.3Å; W214-F265 AromaticContact CZ2-CE2 3.09Å; W214-F265 HydrophobicContact CZ2-CE2 3.09Å; W214-F265 HydrophobicContact CZ2-CG 4.49Å; W214-F265 AromaticContact CZ2-CZ 3.46Å; W214-F265 HydrophobicContact CZ2-CZ 3.46Å; W214-F265 VanDerWaalsContact CZ2-CZ 3.46Å; W214-F265 AromaticContact NE1-CD2 3.24Å; W214-F265 AromaticContact NE1-CE2 3.67Å; W214-F265 AromaticContact NE1-CG 3.52Å; W214-M360 HydrophobicContact CZ2-SD 4.21Å; W214-M360 PolarHBondContact NE1-SD 3.43Å; W214-M360 VanDerWaalsContact NE1-SD 3.39Å; W214-L367 HydrophobicContact CH2-CD2 3.69Å; W214-L367 HydrophobicContact CZ2-CD2 4.39Å; W214-L367 HydrophobicContact CZ3-CD2 4.06Å; W214-L379 HydrophobicContact CD2-CD1 3.57Å; W214-L379 HydrophobicContact CE3-CD1 3.74Å; W214-L379 HydrophobicContact CG-CD1 4.01Å; W214-L379 HydrophobicContact CH2-CD1 4.18Å; W214-L379 HydrophobicContact CZ2-CD1 4.03Å; W214-L379 HydrophobicContact CZ2-CD2 4.14Å; W214-L379 HydrophobicContact CZ3-CD1 4.05Å
215K98.1Very high97.3Very high4 Ų417.8 Ų17.82%0.01711%0.114CC..Hα-helixtrans-58.1-47.9175.8-74.6174.5173.1176.30111.8Y194 E205 C211 S212 T217 L218 I219 V236 L242Y194-K215 VanDerWaalsContact OH-CE 3.28Å; Y194-K215 WeakPolarHBondContact OH-CE 3.47Å; Y194-K215 PolarHBondContact OH-NZ 2.88Å; E205-K215 VanDerWaalsContact CD-CE 3.47Å; E205-K215 VanDerWaalsContact OE1-CE 3.29Å; E205-K215 WeakPolarHBondContact OE1-CE 3.38Å; E205-K215 IonicContact OE1-NZ 3.77Å; E205-K215 PolarHBondContact OE1-NZ 3.08Å; E205-K215 WeakPolarHBondContact OE2-CE 3.13Å; E205-K215 IonicContact OE2-NZ 3.8Å; E205-K215 PolarHBondContact OE2-NZ 2.71Å; C211-K215 WeakPolarHBondContact O-CG 3.42Å; C211-K215 PolarHBondContact O-N 3.49Å; S212-K215 PolarHBondContact O-N 3.43Å; K215-T217 VanDerWaalsContact C-N 3.28Å; K215-T217 PolarHBondContact O-N 2.98Å; K215-L218 PolarHBondContact O-N 2.87Å; K215-I219 WeakPolarHBondContact O-CG1 3.42Å; K215-I219 PolarHBondContact O-N 2.93Å; K215-V236 HydrophobicContact CB-CG1 3.48Å; K215-V236 VanDerWaalsContact CB-CG1 3.48Å; K215-V236 HydrophobicContact CD-CG1 4.11Å; K215-V236 HydrophobicContact CG-CG1 4.45Å; K215-L242 HydrophobicContact CB-CD1 4.08Å; K215-L242 HydrophobicContact CG-CD1 4.1Å
216R97.9Very high97.1Very high2 Ų222 Ų221%0.00814%0.144CC..Hα-helixtrans-54-46.7174.3-72.1173.9169.689.82.8112.1S212 N213 W214 L218 I219 V220 P228 L231 V236 D384S212-R216 WeakPolarHBondContact O-CG 3.49Å; S212-R216 PolarHBondContact O-N 3.5Å; N213-R216 PolarHBondContact O-N 3.42Å; W214-R216 PolarHBondContact O-N 2.89Å; R216-L218 PolarHBondContact O-N 3.39Å; R216-I219 WeakPolarHBondContact O-CB 3.2Å; R216-I219 PolarHBondContact O-N 3.09Å; R216-V220 WeakPolarHBondContact O-CG2 3.44Å; R216-V220 PolarHBondContact O-N 3.39Å; R216-P228 HydrophobicContact CB-CB 3.89Å; R216-P228 VanDerWaalsContact CD-O 3.31Å; R216-P228 WeakPolarHBondContact CD-O 3.42Å; R216-L231 HydrophobicContact CB-CD1 4.24Å; R216-L231 HydrophobicContact CG-CB 4.16Å; R216-L231 HydrophobicContact CG-CD1 4.16Å; R216-L231 PolarHBondContact NE-O 2.9Å; R216-L231 PolarHBondContact NH2-O 3.47Å; R216-V236 HydrophobicContact CG-CB 4.44Å; R216-V236 HydrophobicContact CG-CG1 4.21Å; R216-V236 HydrophobicContact CG-CG2 3.32Å; R216-D384 IonicContact CZ-OD1 3.83Å; R216-D384 IonicContact CZ-OD2 2.78Å; R216-D384 IonicContact NH1-OD1 2.84Å; R216-D384 PolarHBondContact NH1-OD1 3.4Å; R216-D384 IonicContact NH1-OD2 3.99Å; R216-D384 PolarHBondContact NH1-OD2 3.46Å; R216-D384 VanDerWaalsContact NH2-CG 3.26Å; R216-D384 IonicContact NH2-OD1 3.76Å; R216-D384 PolarHBondContact NH2-OD1 2.96Å; R216-D384 IonicContact NH2-OD2 3.3Å; R216-D384 PolarHBondContact NH2-OD2 3.27Å
217T98.1Very high96.8Very high0 Ų025.2 Ų25.20%016%0.162CC..Hα-helixtrans-64.1-42.4-179.5-57.50000111.7N213 W214 K215 I219 V220 L221 L368 L377 L379 P380N213-T217 WeakPolarHBondContact O-CB 3.27Å; N213-T217 PolarHBondContact O-N 3.36Å; N213-T217 PolarHBondContact O-OG1 3.39Å; W214-T217 WeakPolarHBondContact O-CB 3.23Å; W214-T217 PolarHBondContact O-N 3.28Å; W214-T217 VanDerWaalsContact O-N 3.16Å; K215-T217 VanDerWaalsContact C-N 3.28Å; K215-T217 PolarHBondContact O-N 2.98Å; T217-I219 VanDerWaalsContact C-N 3.34Å; T217-I219 PolarHBondContact O-N 2.84Å; T217-V220 PolarHBondContact O-N 3.49Å; T217-L221 HydrophobicContact CG2-CD1 4.25Å; T217-L221 WeakPolarHBondContact O-CB 3.23Å; T217-L221 VanDerWaalsContact O-CG 3.28Å; T217-L221 WeakPolarHBondContact O-CG 3.33Å; T217-L221 PolarHBondContact O-N 3.28Å; T217-L368 HydrophobicContact CG2-CD2 3.97Å; T217-L377 HydrophobicContact CG2-CD2 4.01Å; T217-L377 HydrophobicContact CG2-CG 4.33Å; T217-L379 WeakPolarHBondContact OG1-CD1 3.47Å; T217-P380 WeakPolarHBondContact OG1-CD 3.35Å
218L98.4Very high96.5Very high1 Ų125.7 Ų25.71%0.00517%0.165CC..Hα-helixtrans-65.1-36.2174.8-64.6173000112.3E196 V201 Y203 W214 K215 R216 L221 S222 L242 F263E196-L218 HydrophobicContact CB-CD2 3.99Å; E196-L218 HydrophobicContact CG-CB 4.42Å; E196-L218 HydrophobicContact CG-CD2 4.31Å; V201-L218 HydrophobicContact CG2-CD2 3.76Å; Y203-L218 HydrophobicContact CD1-CD1 3.62Å; Y203-L218 HydrophobicContact CG-CD1 3.88Å; W214-L218 VanDerWaalsContact O-CG 3.31Å; W214-L218 WeakPolarHBondContact O-CG 3.38Å; W214-L218 PolarHBondContact O-N 3.06Å; K215-L218 PolarHBondContact O-N 2.87Å; R216-L218 PolarHBondContact O-N 3.39Å; L218-L221 HydrophobicContact CD2-CD1 4.27Å; L218-L221 PolarHBondContact O-N 3.33Å; L218-S222 WeakPolarHBondContact O-CB 3.24Å; L218-S222 PolarHBondContact O-N 3.34Å; L218-S222 PolarHBondContact O-OG 3.28Å; L218-L242 HydrophobicContact CB-CD1 3.88Å; L218-L242 HydrophobicContact CB-CD2 3.88Å; L218-L242 HydrophobicContact CD1-CD1 4.23Å; L218-F263 HydrophobicContact CD2-CZ 4.31Å
219I98.2Very high96.2Very high1 Ų129.4 Ų29.41%0.00519%0.186CC..Hα-helixtrans-63.5-45.1175.2-66.3166.5000110.2K215 R216 T217 S222 G223 K224 A225 L231 Y241 L242K215-I219 WeakPolarHBondContact O-CG1 3.42Å; K215-I219 PolarHBondContact O-N 2.93Å; R216-I219 WeakPolarHBondContact O-CB 3.2Å; R216-I219 PolarHBondContact O-N 3.09Å; T217-I219 VanDerWaalsContact C-N 3.34Å; T217-I219 PolarHBondContact O-N 2.84Å; I219-S222 PolarHBondContact O-N 3.46Å; I219-S222 PolarHBondContact O-OG 2.82Å; I219-G223 PolarHBondContact O-N 3.19Å; I219-K224 HydrophobicContact CG2-CB 3.86Å; I219-K224 PolarHBondContact O-N 3.07Å; I219-K224 VanDerWaalsContact O-N 3.14Å; I219-A225 HydrophobicContact CG2-CB 3.86Å; I219-L231 HydrophobicContact CB-CD1 3.96Å; I219-L231 HydrophobicContact CD1-CD1 4.07Å; I219-L231 HydrophobicContact CG2-CD1 3.75Å; I219-Y241 HydrophobicContact CD1-CD2 3.9Å; I219-Y241 HydrophobicContact CD1-CG 4.15Å; I219-Y241 HydrophobicContact CG1-CG 4.3Å; I219-Y241 HydrophobicContact CG2-CD1 4.29Å; I219-Y241 HydrophobicContact CG2-CD2 4.47Å; I219-Y241 HydrophobicContact CG2-CG 4.03Å; I219-L242 HydrophobicContact CG1-CD1 4.01Å; I219-L242 HydrophobicContact CG1-CD2 4.02Å; I219-L242 HydrophobicContact CG1-CG 3.74Å
220V97.8Very high95.9Very high23 Ų2332.4 Ų32.414%0.13921%0.207CC..Hα-helixtrans-62.9-45.7175.1173.10000111.3R216 T217 S222 G223 A225 P228 L377R216-V220 WeakPolarHBondContact O-CG2 3.44Å; R216-V220 PolarHBondContact O-N 3.39Å; T217-V220 PolarHBondContact O-N 3.49Å; V220-S222 VanDerWaalsContact C-N 3.25Å; V220-S222 PolarHBondContact O-N 3.39Å; V220-G223 WeakPolarHBondContact O-CA 3.46Å; V220-G223 PolarHBondContact O-N 3.22Å; V220-A225 HydrophobicContact CG2-CB 4.02Å; V220-P228 HydrophobicContact CG2-CG 4.07Å; V220-L377 HydrophobicContact CG1-CD1 4.01Å
221L97.6Very high95.8Very high5 Ų532 Ų323%0.02620%0.201CC..Hα-helixtrans-57.4-39.9175.7-75.1171.2000111.7E196 K198 Y199 T217 L218 G223 L368 I371 A373 L377E196-L221 HydrophobicContact CG-CB 4.17Å; K198-L221 WeakPolarHBondContact CD-O 3.05Å; Y199-L221 HydrophobicContact CD2-CB 3.78Å; Y199-L221 HydrophobicContact CD2-CD2 3.71Å; Y199-L221 HydrophobicContact CD2-CG 4.23Å; Y199-L221 HydrophobicContact CE1-CD2 4.32Å; Y199-L221 HydrophobicContact CE2-CB 3.91Å; Y199-L221 HydrophobicContact CE2-CD2 3.45Å; Y199-L221 VanDerWaalsContact CE2-CD2 3.45Å; Y199-L221 HydrophobicContact CE2-CG 4.27Å; Y199-L221 WeakPolarHBondContact CE2-O 3.44Å; Y199-L221 HydrophobicContact CG-CD2 4.23Å; T217-L221 HydrophobicContact CG2-CD1 4.25Å; T217-L221 WeakPolarHBondContact O-CB 3.23Å; T217-L221 VanDerWaalsContact O-CG 3.28Å; T217-L221 WeakPolarHBondContact O-CG 3.33Å; T217-L221 PolarHBondContact O-N 3.28Å; L218-L221 HydrophobicContact CD2-CD1 4.27Å; L218-L221 PolarHBondContact O-N 3.33Å; L221-G223 PolarHBondContact O-N 2.8Å; L221-G223 VanDerWaalsContact O-N 3.11Å; L221-L368 HydrophobicContact CD1-CD2 4.26Å; L221-I371 HydrophobicContact CD1-CD1 4.09Å; L221-A373 HydrophobicContact CD2-CB 3.75Å; L221-L377 HydrophobicContact CD1-CD2 4.47Å; L221-L377 HydrophobicContact CD2-CD2 3.46Å; L221-L377 VanDerWaalsContact CD2-CD2 3.46Å; L221-L377 HydrophobicContact CG-CD2 3.73Å
222S96.5Very high95.7Very high31 Ų3135.2 Ų35.222%0.21722%0.217CC..THydrogen-bonded Turntrans-69.7-4176.476.20000114.5E196 L218 I219 V220 K224E196-S222 WeakPolarHBondContact OE1-CA 3.46Å; L218-S222 WeakPolarHBondContact O-CB 3.24Å; L218-S222 PolarHBondContact O-N 3.34Å; L218-S222 PolarHBondContact O-OG 3.28Å; I219-S222 PolarHBondContact O-N 3.46Å; I219-S222 PolarHBondContact O-OG 2.82Å; V220-S222 VanDerWaalsContact C-N 3.25Å; V220-S222 PolarHBondContact O-N 3.39Å; S222-K224 VanDerWaalsContact C-N 3.3Å; S222-K224 PolarHBondContact O-N 2.8Å; S222-K224 WeakPolarHBondContact OG-CD 3.23Å; S222-K224 VanDerWaalsContact OG-CG 3.32Å; S222-K224 WeakPolarHBondContact OG-CG 3.48Å
223G95.8Very high95.5Very high60 Ų6035.8 Ų35.862%0.61922%0.218SC*.THydrogen-bonded Turntrans76.812.2-177.800000114.3I219 V220 L221I219-G223 PolarHBondContact O-N 3.19Å; V220-G223 WeakPolarHBondContact O-CA 3.46Å; V220-G223 PolarHBondContact O-N 3.22Å; L221-G223 PolarHBondContact O-N 2.8Å; L221-G223 VanDerWaalsContact O-N 3.11Å
224K95.6Very high95.3Very high114 Ų11440.4 Ų40.450%0.49624%0.239SC..SBendtrans-89.4-8.2-177.5-66.3-178.1-173.2-173.50113.8I219 S222 Y241I219-K224 HydrophobicContact CG2-CB 3.86Å; I219-K224 PolarHBondContact O-N 3.07Å; I219-K224 VanDerWaalsContact O-N 3.14Å; S222-K224 VanDerWaalsContact C-N 3.3Å; S222-K224 PolarHBondContact O-N 2.8Å; S222-K224 WeakPolarHBondContact OG-CD 3.23Å; S222-K224 VanDerWaalsContact OG-CG 3.32Å; S222-K224 WeakPolarHBondContact OG-CG 3.48Å; K224-Y241 HydrophobicContact CB-CD1 3.96Å; K224-Y241 HydrophobicContact CD-CD1 4Å; K224-Y241 PolarHBondContact NZ-O 3.11Å
225A95.8Very high95.1Very high19 Ų1943.5 Ų43.516%0.15725%0.253CS..  trans-147.7151.9172.900000109.6I219 V220 L231I219-A225 HydrophobicContact CG2-CB 3.86Å; V220-A225 HydrophobicContact CG2-CB 4.02Å; A225-L231 HydrophobicContact CB-CD1 3.81Å; A225-L231 HydrophobicContact CB-CD2 4.04Å; A225-L231 HydrophobicContact CB-CG 4.02Å
226S93.2Very high94.9Very high101 Ų10143.8 Ų43.871%0.70626%0.256SS*.SBendtrans-79.8-37.8-178.654.20000112.8
227N92.9Very high94.6Very high67 Ų6746 Ų4636%0.35827%0.266SS..  trans-147160.2176.665.776.5000110.9D229 S230N227-D229 VanDerWaalsContact C-N 3.33Å; N227-D229 PolarHBondContact O-N 3.26Å; N227-D229 PolarHBondContact OD1-N 3.08Å; N227-D229 VanDerWaalsContact OD1-N 3.13Å; N227-S230 PolarHBondContact O-OG 2.71Å; N227-S230 PolarHBondContact OD1-N 3.24Å
228P92.3Very high94.4Very high13 Ų1354.8 Ų54.88%0.08430%0.3CS..SBendtrans-67.5-31.1-177.8-24.836.3000114.3R216 V220 S230 L231 L377 P380R216-P228 HydrophobicContact CB-CB 3.89Å; R216-P228 VanDerWaalsContact CD-O 3.31Å; R216-P228 WeakPolarHBondContact CD-O 3.42Å; V220-P228 HydrophobicContact CG2-CG 4.07Å; P228-S230 VanDerWaalsContact C-N 3.28Å; P228-S230 PolarHBondContact O-N 3.04Å; P228-L231 PolarHBondContact O-N 2.84Å; P228-L377 HydrophobicContact CG-CD1 4.19Å; P228-P380 HydrophobicContact CB-CB 4.4Å; P228-P380 HydrophobicContact CB-CG 3.16Å; P228-P380 HydrophobicContact CG-CG 3.67Å
229D90.9Very high94Very high113 Ų11356.6 Ų56.660%0.60432%0.32SS*.THydrogen-bonded Turntrans-73.7-21.9-172.6-59.5-16.9000112N227 L231 F382N227-D229 VanDerWaalsContact C-N 3.33Å; N227-D229 PolarHBondContact O-N 3.26Å; N227-D229 PolarHBondContact OD1-N 3.08Å; N227-D229 VanDerWaalsContact OD1-N 3.13Å; D229-L231 PolarHBondContact O-N 2.83Å; D229-F382 WeakPolarHBondContact OD1-CE1 3.39Å
230S92.3Very high93.8Very high63 Ų6359.5 Ų59.544%0.44135%0.349SS..THydrogen-bonded Turntrans-72.4-6.7176.474.30000114.1N227 P228N227-S230 PolarHBondContact O-OG 2.71Å; N227-S230 PolarHBondContact OD1-N 3.24Å; P228-S230 VanDerWaalsContact C-N 3.28Å; P228-S230 PolarHBondContact O-N 3.04Å
231L93.6Very high93.6Very high9 Ų961.7 Ų61.75%0.04736%0.356CS..  trans-104.5117.5-176.1-65.8168.3000111.2R216 I219 A225 P228 D229 Q235 V236 Y241R216-L231 HydrophobicContact CB-CD1 4.24Å; R216-L231 HydrophobicContact CG-CB 4.16Å; R216-L231 HydrophobicContact CG-CD1 4.16Å; R216-L231 PolarHBondContact NE-O 2.9Å; R216-L231 PolarHBondContact NH2-O 3.47Å; I219-L231 HydrophobicContact CB-CD1 3.96Å; I219-L231 HydrophobicContact CD1-CD1 4.07Å; I219-L231 HydrophobicContact CG2-CD1 3.75Å; A225-L231 HydrophobicContact CB-CD1 3.81Å; A225-L231 HydrophobicContact CB-CD2 4.04Å; A225-L231 HydrophobicContact CB-CG 4.02Å; P228-L231 PolarHBondContact O-N 2.84Å; D229-L231 PolarHBondContact O-N 2.83Å; L231-Q235 HydrophobicContact CD2-CB 4.33Å; L231-V236 HydrophobicContact CB-CG2 3.72Å; L231-V236 HydrophobicContact CD1-CG2 4.45Å; L231-Y241 HydrophobicContact CD2-CE2 4.46Å
232N93.3Very high93.5Very high76 Ų7662.4 Ų62.441%0.40636%0.36SS..  trans-76170.9173.270.335.4000112.3E234 Q235 V236N232-E234 VanDerWaalsContact C-N 3.32Å; N232-E234 PolarHBondContact O-N 2.91Å; N232-E234 PolarHBondContact OD1-N 3.23Å; N232-E234 PolarHBondContact OD1-OE2 2.93Å; N232-Q235 VanDerWaalsContact CG-OE1 3.25Å; N232-Q235 PolarHBondContact ND2-OE1 3.08Å; N232-Q235 PolarHBondContact O-N 3.39Å; N232-Q235 WeakPolarHBondContact OD1-CB 3.32Å; N232-Q235 VanDerWaalsContact OD1-CG 3.24Å; N232-Q235 WeakPolarHBondContact OD1-CG 3.44Å; N232-Q235 PolarHBondContact OD1-N 3.32Å; N232-Q235 PolarHBondContact OD1-OE1 2.98Å; N232-V236 VanDerWaalsContact O-CG2 3.25Å; N232-V236 WeakPolarHBondContact O-CG2 3.25Å; N232-V236 PolarHBondContact O-N 3.09Å; N232-V236 VanDerWaalsContact O-N 3.15Å
233H91.8Very high93.5Very high33 Ų3366.9 Ų66.915%0.15338%0.375CS..Hα-helixtrans-57.3-45.4-176.3-175.469.5000112.1Q235 V236 H237 D384H233-Q235 PolarHBondContact O-N 3.06Å; H233-V236 PolarHBondContact O-N 3.21Å; H233-H237 AromaticContact CE1-CD2 3.31Å; H233-H237 PolarHBondContact CE1-CD2 3.12Å; H233-H237 AromaticContact CE1-NE2 3.49Å; H233-H237 PolarHBondContact CE1-NE2 3.47Å; H233-H237 AromaticContact ND1-CD2 3.43Å; H233-H237 PolarHBondContact ND1-CD2 3.31Å; H233-H237 AromaticContact ND1-NE2 3.72Å; H233-H237 AromaticContact NE2-CD2 3.93Å; H233-H237 PolarHBondContact O-CD2 3.31Å; H233-H237 VanDerWaalsContact O-CD2 3.29Å; H233-H237 PolarHBondContact O-N 2.95Å; H233-H237 VanDerWaalsContact O-N 3.09Å; H233-D384 WeakPolarHBondContact CB-OD1 2.98Å; H233-D384 IonicContact CE1-OD2 3.91Å; H233-D384 IonicContact CG-OD1 3.98Å; H233-D384 IonicContact CG-OD2 3.35Å; H233-D384 IonicContact ND1-OD1 2.83Å; H233-D384 IonicContact ND1-OD2 3.31Å; H233-D384 PolarHBondContact ND1-OD2 3.36Å
234E92.7Very high93.6Very high112 Ų11264.9 Ų64.952%0.52335%0.351SS..Hα-helixtrans-65.5-43.3-176.1-66.566.1-145.900111.3N232 V236 H237 Y238 G239N232-E234 VanDerWaalsContact C-N 3.32Å; N232-E234 PolarHBondContact O-N 2.91Å; N232-E234 PolarHBondContact OD1-N 3.23Å; N232-E234 PolarHBondContact OD1-OE2 2.93Å; E234-V236 VanDerWaalsContact C-N 3.33Å; E234-V236 PolarHBondContact O-N 3.3Å; E234-H237 PolarHBondContact O-N 3.27Å; E234-Y238 WeakPolarHBondContact O-CA 3.4Å; E234-Y238 WeakPolarHBondContact O-CB 3.46Å; E234-Y238 PolarHBondContact O-N 3.4Å; E234-G239 PolarHBondContact O-N 3.17Å
235Q93.4Very high93.8Very high66 Ų6659.5 Ų59.531%0.30833%0.327SS..Hα-helixtrans-60.3-43.4175.8-75.4171.9-43.200111.5L231 N232 H233 G239 Y241L231-Q235 HydrophobicContact CD2-CB 4.33Å; N232-Q235 VanDerWaalsContact CG-OE1 3.25Å; N232-Q235 PolarHBondContact ND2-OE1 3.08Å; N232-Q235 PolarHBondContact O-N 3.39Å; N232-Q235 WeakPolarHBondContact OD1-CB 3.32Å; N232-Q235 VanDerWaalsContact OD1-CG 3.24Å; N232-Q235 WeakPolarHBondContact OD1-CG 3.44Å; N232-Q235 PolarHBondContact OD1-N 3.32Å; N232-Q235 PolarHBondContact OD1-OE1 2.98Å; H233-Q235 PolarHBondContact O-N 3.06Å; Q235-G239 VanDerWaalsContact O-CA 3.28Å; Q235-G239 WeakPolarHBondContact O-CA 3.23Å; Q235-G239 PolarHBondContact O-N 3.47Å; Q235-Y241 HydrophobicContact CB-CE2 4.06Å; Q235-Y241 VanDerWaalsContact O-CD2 3.29Å; Q235-Y241 WeakPolarHBondContact O-CD2 3.34Å; Q235-Y241 WeakPolarHBondContact O-CE2 3.39Å
236V94.6Very high93.9Very high11 Ų1161.2 Ų61.27%0.06733%0.334CS..Hα-helixtrans-67.8-39.3-177.7173.40000112.4K215 R216 L231 N232 H233 E234K215-V236 HydrophobicContact CB-CG1 3.48Å; K215-V236 VanDerWaalsContact CB-CG1 3.48Å; K215-V236 HydrophobicContact CD-CG1 4.11Å; K215-V236 HydrophobicContact CG-CG1 4.45Å; R216-V236 HydrophobicContact CG-CB 4.44Å; R216-V236 HydrophobicContact CG-CG1 4.21Å; R216-V236 HydrophobicContact CG-CG2 3.32Å; L231-V236 HydrophobicContact CB-CG2 3.72Å; L231-V236 HydrophobicContact CD1-CG2 4.45Å; N232-V236 VanDerWaalsContact O-CG2 3.25Å; N232-V236 WeakPolarHBondContact O-CG2 3.25Å; N232-V236 PolarHBondContact O-N 3.09Å; N232-V236 VanDerWaalsContact O-N 3.15Å; H233-V236 PolarHBondContact O-N 3.21Å; E234-V236 VanDerWaalsContact C-N 3.33Å; E234-V236 PolarHBondContact O-N 3.3Å
237H92.8Very high94.1Very high49 Ų4965.2 Ų65.223%0.22733%0.333CS..Hα-helixtrans-94.5-28.9-173.7-73.7-83.8000113.8S212 H233 E234 D384S212-H237 PolarHBondContact OG-CE1 3.13Å; S212-H237 PolarHBondContact OG-NE2 2.92Å; H233-H237 AromaticContact CE1-CD2 3.31Å; H233-H237 PolarHBondContact CE1-CD2 3.12Å; H233-H237 AromaticContact CE1-NE2 3.49Å; H233-H237 PolarHBondContact CE1-NE2 3.47Å; H233-H237 AromaticContact ND1-CD2 3.43Å; H233-H237 PolarHBondContact ND1-CD2 3.31Å; H233-H237 AromaticContact ND1-NE2 3.72Å; H233-H237 AromaticContact NE2-CD2 3.93Å; H233-H237 PolarHBondContact O-CD2 3.31Å; H233-H237 VanDerWaalsContact O-CD2 3.29Å; H233-H237 PolarHBondContact O-N 2.95Å; H233-H237 VanDerWaalsContact O-N 3.09Å; E234-H237 PolarHBondContact O-N 3.27Å; H237-D384 IonicContact NE2-OD2 3.92Å
238Y92.3Very high94.4Very high183 Ų18363.4 Ų63.472%0.71832%0.323SS*.Hα-helixtrans-128.1-6.5-171.3-50.4-69.6000114.2E234 G240E234-Y238 WeakPolarHBondContact O-CA 3.4Å; E234-Y238 WeakPolarHBondContact O-CB 3.46Å; E234-Y238 PolarHBondContact O-N 3.4Å; Y238-G240 PolarHBondContact O-N 3.36Å; Y238-G240 VanDerWaalsContact O-N 3.14Å
239G91.1Very high94.6Very high40 Ų4067 Ų6741%0.41234%0.341SS..SBendtrans-71.7-2.6-178.500000115.7E234 Q235 Y241E234-G239 PolarHBondContact O-N 3.17Å; Q235-G239 VanDerWaalsContact O-CA 3.28Å; Q235-G239 WeakPolarHBondContact O-CA 3.23Å; Q235-G239 PolarHBondContact O-N 3.47Å; G239-Y241 PolarHBondContact O-N 2.92Å
240G93.1Very high94.9Very high61 Ų6165.6 Ų65.663%0.62933%0.331SS*.  trans69.812.4175.600000115.3Y238 L242Y238-G240 PolarHBondContact O-N 3.36Å; Y238-G240 VanDerWaalsContact O-N 3.14Å; G240-L242 PolarHBondContact O-N 2.74Å
241Y94.1Very high95.2Very high70 Ų7071.1 Ų71.128%0.27535%0.347SS..  trans-65.9-35.1-177.8-61.9-73.7000113.6I219 K224 L231 Q235 G239I219-Y241 HydrophobicContact CD1-CD2 3.9Å; I219-Y241 HydrophobicContact CD1-CG 4.15Å; I219-Y241 HydrophobicContact CG1-CG 4.3Å; I219-Y241 HydrophobicContact CG2-CD1 4.29Å; I219-Y241 HydrophobicContact CG2-CD2 4.47Å; I219-Y241 HydrophobicContact CG2-CG 4.03Å; K224-Y241 HydrophobicContact CB-CD1 3.96Å; K224-Y241 HydrophobicContact CD-CD1 4Å; K224-Y241 PolarHBondContact NZ-O 3.11Å; L231-Y241 HydrophobicContact CD2-CE2 4.46Å; Q235-Y241 HydrophobicContact CB-CE2 4.06Å; Q235-Y241 VanDerWaalsContact O-CD2 3.29Å; Q235-Y241 WeakPolarHBondContact O-CD2 3.34Å; Q235-Y241 WeakPolarHBondContact O-CE2 3.39Å; G239-Y241 PolarHBondContact O-N 2.92Å
242L95.8Very high95.4Very high20 Ų2074 Ų7411%0.10536%0.36CS..SBendtrans-109.9138.6-178.8-59.1174.7000110.8Y194 K215 L218 I219 G240Y194-L242 HydrophobicContact CD1-CB 3.55Å; Y194-L242 HydrophobicContact CD1-CD1 4.22Å; Y194-L242 HydrophobicContact CE1-CB 4.12Å; Y194-L242 HydrophobicContact CG-CB 4.42Å; Y194-L242 HydrophobicContact CG-CD1 4.45Å; K215-L242 HydrophobicContact CB-CD1 4.08Å; K215-L242 HydrophobicContact CG-CD1 4.1Å; L218-L242 HydrophobicContact CB-CD1 3.88Å; L218-L242 HydrophobicContact CB-CD2 3.88Å; L218-L242 HydrophobicContact CD1-CD1 4.23Å; I219-L242 HydrophobicContact CG1-CD1 4.01Å; I219-L242 HydrophobicContact CG1-CD2 4.02Å; I219-L242 HydrophobicContact CG1-CG 3.74Å; G240-L242 PolarHBondContact O-N 2.74Å
243K96.8Very high95.6Very high125 Ų12570.4 Ų70.454%0.54334%0.341SS..EExtended strand (participates in β ladder)trans-94.6139.8172.7-68.3-177.1179.8179.10109.6Y194 V195 F248Y194-K243 WeakPolarHBondContact CA-O 3.34Å; V195-K243 PolarHBondContact N-O 2.77Å; K243-F248 HydrophobicContact CB-CE2 4.16Å; K243-F248 HydrophobicContact CB-CZ 4.43Å; K243-F248 HydrophobicContact CD-CZ 4.2Å
244T98.1Very high95.9Very high18 Ų1871.8 Ų71.811%0.1135%0.348CS..EExtended strand (participates in β ladder)trans-84146.5168.851.90000110.1K191 I193 Y194 N246 R247K191-T244 WeakPolarHBondContact O-CG2 3.18Å; I193-T244 CarbonylContact O-C 3.5Å; I193-T244 WeakPolarHBondContact O-CA 3.43Å; Y194-T244 HydrophobicContact CD1-CG2 3.86Å; Y194-T244 HydrophobicContact CE1-CG2 3.54Å; Y194-T244 HydrophobicContact CE2-CG2 4.47Å; Y194-T244 HydrophobicContact CG-CG2 4.5Å; T244-N246 WeakPolarHBondContact CB-OD1 3.43Å; T244-N246 PolarHBondContact O-N 3.21Å; T244-N246 PolarHBondContact OG1-OD1 2.03Å; T244-R247 WeakPolarHBondContact O-CB 3.14Å; T244-R247 PolarHBondContact O-N 3.03Å
245L98.5Very high96.2Very high0 Ų071 Ų710%035%0.345CS..G310 helixtrans-63.4-30-173-175.157.7000112.3V190 I193 V195 L202 R247 F248 I253 R256 L257V190-L245 HydrophobicContact CB-CB 4.18Å; V190-L245 HydrophobicContact CB-CD2 3.97Å; V190-L245 HydrophobicContact CB-CG 4.17Å; V190-L245 HydrophobicContact CG1-CD2 4.13Å; V190-L245 HydrophobicContact CG2-CB 4.25Å; V190-L245 HydrophobicContact CG2-CD2 4.38Å; V190-L245 HydrophobicContact CG2-CG 4.12Å; I193-L245 HydrophobicContact CB-CB 4.04Å; I193-L245 HydrophobicContact CB-CD2 4.39Å; I193-L245 HydrophobicContact CG2-CB 4.13Å; I193-L245 HydrophobicContact CG2-CD2 4.05Å; I193-L245 PolarHBondContact O-N 3.27Å; V195-L245 HydrophobicContact CG2-CB 3.84Å; V195-L245 HydrophobicContact CG2-CD1 3.77Å; V195-L245 HydrophobicContact CG2-CG 4.39Å; L202-L245 HydrophobicContact CD1-CD2 4.03Å; L202-L245 HydrophobicContact CD2-CD1 4.35Å; L202-L245 HydrophobicContact CD2-CD2 4.21Å; L245-R247 PolarHBondContact O-N 3.46Å; L245-R247 VanDerWaalsContact O-N 3.11Å; L245-F248 HydrophobicContact CD1-CD2 4.2Å; L245-F248 WeakPolarHBondContact O-CD2 3.42Å; L245-F248 PolarHBondContact O-N 3.09Å; L245-F248 VanDerWaalsContact O-N 3.17Å; L245-I253 HydrophobicContact CD1-CG1 4.27Å; L245-I253 HydrophobicContact CD2-CG2 4.41Å; L245-I253 HydrophobicContact CG-CG1 4.22Å; L245-I253 HydrophobicContact CG-CG2 4.32Å; L245-I253 WeakPolarHBondContact O-CG1 3.31Å; L245-R256 HydrophobicContact CD1-CB 4.11Å; L245-L257 HydrophobicContact CD2-CD2 3.93Å; L245-L257 HydrophobicContact CD2-CG 4.01Å
246N98.1Very high96.5Very high55 Ų5569 Ų6929%0.29433%0.334SS..G310 helixtrans-66.5-7.8175.575-41.1000115P187 V190 K191 T244 F248P187-N246 HydrophobicContact CB-CB 4.1Å; P187-N246 WeakPolarHBondContact O-CB 3.21Å; V190-N246 HydrophobicContact CG2-CB 4.11Å; K191-N246 HydrophobicContact CB-CB 4.1Å; T244-N246 WeakPolarHBondContact CB-OD1 3.43Å; T244-N246 PolarHBondContact O-N 3.21Å; T244-N246 PolarHBondContact OG1-OD1 2.03Å; N246-F248 VanDerWaalsContact C-N 3.33Å
247R97.8Very high96.6Very high185 Ų18569.3 Ų69.370%0.69834%0.335SS*.G310 helixtrans-85.1-7.3174.7-65.5-174.8178.2-170-2113.3T244 L245T244-R247 WeakPolarHBondContact O-CB 3.14Å; T244-R247 PolarHBondContact O-N 3.03Å; L245-R247 PolarHBondContact O-N 3.46Å; L245-R247 VanDerWaalsContact O-N 3.11Å
248F98.1Very high96.9Very high30 Ų3073.8 Ų73.813%0.13236%0.356CS..SBendtrans-92.5160.5176.6-65.2-93.3000110.6V195 K243 L245 N246 E252 I253V195-F248 HydrophobicContact CB-CE2 4.2Å; V195-F248 HydrophobicContact CG1-CZ 4.5Å; V195-F248 HydrophobicContact CG2-CD2 4.37Å; V195-F248 HydrophobicContact CG2-CE2 3.71Å; V195-F248 HydrophobicContact CG2-CZ 4.44Å; K243-F248 HydrophobicContact CB-CE2 4.16Å; K243-F248 HydrophobicContact CB-CZ 4.43Å; K243-F248 HydrophobicContact CD-CZ 4.2Å; L245-F248 HydrophobicContact CD1-CD2 4.2Å; L245-F248 WeakPolarHBondContact O-CD2 3.42Å; L245-F248 PolarHBondContact O-N 3.09Å; L245-F248 VanDerWaalsContact O-N 3.17Å; N246-F248 VanDerWaalsContact C-N 3.33Å; F248-E252 HydrophobicContact CB-CB 3.78Å; F248-E252 HydrophobicContact CD1-CB 4.26Å; F248-E252 HydrophobicContact CG-CB 4.43Å; F248-I253 HydrophobicContact CB-CG1 4.07Å; F248-I253 WeakPolarHBondContact O-CD1 3.49Å
249N97.8Very high97.2Very high88 Ų8868.6 Ų68.647%0.47134%0.343SS..  trans-72.7166.5173.970.854.4000111.2K251 E252 I253N249-K251 VanDerWaalsContact C-N 3.3Å; N249-K251 PolarHBondContact O-N 2.9Å; N249-K251 WeakPolarHBondContact OD1-CB 3.09Å; N249-K251 PolarHBondContact OD1-N 2.93Å; N249-K251 VanDerWaalsContact OD1-N 3.09Å; N249-E252 VanDerWaalsContact CG-OE2 3.28Å; N249-E252 PolarHBondContact N-OE2 3.44Å; N249-E252 VanDerWaalsContact ND2-CD 3.27Å; N249-E252 PolarHBondContact ND2-OE2 3.47Å; N249-E252 WeakPolarHBondContact O-CB 3.36Å; N249-E252 PolarHBondContact O-N 3.01Å; N249-E252 VanDerWaalsContact O-N 3.13Å; N249-E252 WeakPolarHBondContact OD1-CG 3.37Å; N249-E252 PolarHBondContact OD1-N 3.13Å; N249-I253 WeakPolarHBondContact O-CG1 3.26Å; N249-I253 PolarHBondContact O-N 2.44Å
250Q97.1Very high97.5Very high83 Ų8367.3 Ų67.339%0.38833%0.326SS..Hα-helixtrans-58.5-38.8-173.9-17064.619.900113.5I185 I253 M254I185-Q250 PolarHBondContact O-NE2 3.42Å; Q250-I253 PolarHBondContact O-N 3.25Å; Q250-M254 WeakPolarHBondContact O-CG 3.25Å; Q250-M254 PolarHBondContact O-N 3.27Å
251K97.8Very high97.8Very high179 Ų17969.1 Ų69.178%0.77832%0.317SS*.Hα-helixtrans-64.3-43.8178.5-177.2-178.3178.5-178.90110.9N249 M254 H255N249-K251 VanDerWaalsContact C-N 3.3Å; N249-K251 PolarHBondContact O-N 2.9Å; N249-K251 WeakPolarHBondContact OD1-CB 3.09Å; N249-K251 PolarHBondContact OD1-N 2.93Å; N249-K251 VanDerWaalsContact OD1-N 3.09Å; K251-M254 PolarHBondContact O-N 3.28Å; K251-H255 WeakPolarHBondContact O-CB 3.31Å; K251-H255 PolarHBondContact O-N 2.8Å
252E98.3Very high98Very high71 Ų7166.7 Ų66.733%0.33231%0.308SS..Hα-helixtrans-67.4-37.5177.7-74177.4137.900113.2F248 N249 R256F248-E252 HydrophobicContact CB-CB 3.78Å; F248-E252 HydrophobicContact CD1-CB 4.26Å; F248-E252 HydrophobicContact CG-CB 4.43Å; N249-E252 VanDerWaalsContact CG-OE2 3.28Å; N249-E252 PolarHBondContact N-OE2 3.44Å; N249-E252 VanDerWaalsContact ND2-CD 3.27Å; N249-E252 PolarHBondContact ND2-OE2 3.47Å; N249-E252 WeakPolarHBondContact O-CB 3.36Å; N249-E252 PolarHBondContact O-N 3.01Å; N249-E252 VanDerWaalsContact O-N 3.13Å; N249-E252 WeakPolarHBondContact OD1-CG 3.37Å; N249-E252 PolarHBondContact OD1-N 3.13Å; E252-R256 WeakPolarHBondContact O-CG 3.48Å; E252-R256 PolarHBondContact O-N 2.98Å; E252-R256 VanDerWaalsContact O-N 3.13Å; E252-R256 PolarHBondContact O-NH1 3.41Å
253I98.6Very high98.1Very high0 Ų065.8 Ų65.80%030%0.303CS..Hα-helixtrans-59.3-54173.1-71.5172.1000109.3P187 V190 L245 F248 N249 Q250 H255 R256 L257P187-I253 HydrophobicContact CG-CD1 4.38Å; V190-I253 HydrophobicContact CG2-CD1 4.21Å; V190-I253 HydrophobicContact CG2-CG2 4.26Å; L245-I253 HydrophobicContact CD1-CG1 4.27Å; L245-I253 HydrophobicContact CD2-CG2 4.41Å; L245-I253 HydrophobicContact CG-CG1 4.22Å; L245-I253 HydrophobicContact CG-CG2 4.32Å; L245-I253 WeakPolarHBondContact O-CG1 3.31Å; F248-I253 HydrophobicContact CB-CG1 4.07Å; F248-I253 WeakPolarHBondContact O-CD1 3.49Å; N249-I253 WeakPolarHBondContact O-CG1 3.26Å; N249-I253 PolarHBondContact O-N 2.44Å; Q250-I253 PolarHBondContact O-N 3.25Å; I253-H255 PolarHBondContact O-N 3.16Å; I253-R256 PolarHBondContact O-N 3.25Å; I253-L257 HydrophobicContact CG2-CD1 3.66Å; I253-L257 HydrophobicContact CG2-CG 4.37Å; I253-L257 WeakPolarHBondContact O-CB 3.32Å; I253-L257 WeakPolarHBondContact O-CG 3.45Å; I253-L257 PolarHBondContact O-N 2.84Å
254M97.9Very high98.2Very high61 Ų6159.9 Ų59.930%0.328%0.277SS..Hα-helixtrans-63.9-40.2-178.1-66.9-53-58.400112.2I185 Q250 K251 R256 L257 Q258I185-M254 HydrophobicContact CB-SD 4.31Å; I185-M254 HydrophobicContact CD1-SD 4.44Å; Q250-M254 WeakPolarHBondContact O-CG 3.25Å; Q250-M254 PolarHBondContact O-N 3.27Å; K251-M254 PolarHBondContact O-N 3.28Å; M254-R256 PolarHBondContact O-N 2.71Å; M254-L257 PolarHBondContact O-N 2.89Å; M254-L257 HydrophobicContact SD-CD1 4.19Å; M254-Q258 WeakPolarHBondContact O-CB 3.39Å; M254-Q258 VanDerWaalsContact O-CG 3.27Å; M254-Q258 WeakPolarHBondContact O-CG 3.36Å; M254-Q258 PolarHBondContact O-N 3.33Å
255H98.4Very high98.2Very high97 Ų9759 Ų5945%0.44927%0.272SS..Hα-helixtrans-56.3-51.7175.5176.775000111.4K251 I253 Q258 T259K251-H255 WeakPolarHBondContact O-CB 3.31Å; K251-H255 PolarHBondContact O-N 2.8Å; I253-H255 PolarHBondContact O-N 3.16Å; H255-Q258 PolarHBondContact O-N 2.83Å; H255-Q258 VanDerWaalsContact O-N 3.12Å; H255-T259 PolarHBondContact NE2-OG1 3.44Å; H255-T259 WeakPolarHBondContact O-CG2 3.12Å; H255-T259 PolarHBondContact O-N 2.97Å; H255-T259 PolarHBondContact O-OG1 3.49Å
256R98.6Very high98.2Very high24 Ų2459 Ų599%0.09127%0.272CS..Hα-helixtrans-65.4-41.5179.9-70172.8174.369.24.3111.7E197 L202 L245 E252 I253 M254 Q258 T259 Y260E197-R256 IonicContact OE1-CZ 3.02Å; E197-R256 VanDerWaalsContact OE1-CZ 3.23Å; E197-R256 IonicContact OE1-NE 3.46Å; E197-R256 PolarHBondContact OE1-NE 2.7Å; E197-R256 IonicContact OE1-NH2 3.9Å; E197-R256 PolarHBondContact OE1-NH2 3.5Å; E197-R256 IonicContact OE2-CZ 2.86Å; E197-R256 IonicContact OE2-NE 2.86Å; E197-R256 IonicContact OE2-NH2 3.23Å; E197-R256 PolarHBondContact OE2-NH2 2.93Å; E197-R256 VanDerWaalsContact OE2-NH2 3.13Å; L202-R256 HydrophobicContact CD1-CB 4.25Å; L202-R256 HydrophobicContact CD2-CB 4.37Å; L245-R256 HydrophobicContact CD1-CB 4.11Å; E252-R256 WeakPolarHBondContact O-CG 3.48Å; E252-R256 PolarHBondContact O-N 2.98Å; E252-R256 VanDerWaalsContact O-N 3.13Å; E252-R256 PolarHBondContact O-NH1 3.41Å; I253-R256 PolarHBondContact O-N 3.25Å; M254-R256 PolarHBondContact O-N 2.71Å; R256-Q258 PolarHBondContact O-N 2.9Å; R256-T259 PolarHBondContact O-N 2.86Å; R256-Y260 HydrophobicContact CB-CD1 4.28Å; R256-Y260 HydrophobicContact CB-CD2 4.3Å; R256-Y260 HydrophobicContact CB-CG 4.17Å; R256-Y260 HydrophobicContact CG-CD1 4.24Å; R256-Y260 HydrophobicContact CG-CD2 4.25Å; R256-Y260 HydrophobicContact CG-CE1 3.98Å; R256-Y260 HydrophobicContact CG-CE2 4Å; R256-Y260 HydrophobicContact CG-CG 4.38Å; R256-Y260 VanDerWaalsContact O-CB 3.23Å; R256-Y260 WeakPolarHBondContact O-CB 3.2Å; R256-Y260 PolarHBondContact O-N 3.25Å
257L98.2Very high98.3Very high16 Ų1656.9 Ų56.98%0.08426%0.26CS..Hα-helixtrans-60.7-26.1174.8-72.8170.5000112.8I185 V190 L202 L245 I253 M254 K262 I349I185-L257 HydrophobicContact CD1-CD1 3.63Å; I185-L257 HydrophobicContact CG2-CD1 3.98Å; V190-L257 HydrophobicContact CG1-CD1 4.35Å; L202-L257 HydrophobicContact CD1-CD2 3.97Å; L202-L257 HydrophobicContact CD1-CG 4.49Å; L245-L257 HydrophobicContact CD2-CD2 3.93Å; L245-L257 HydrophobicContact CD2-CG 4.01Å; I253-L257 HydrophobicContact CG2-CD1 3.66Å; I253-L257 HydrophobicContact CG2-CG 4.37Å; I253-L257 WeakPolarHBondContact O-CB 3.32Å; I253-L257 WeakPolarHBondContact O-CG 3.45Å; I253-L257 PolarHBondContact O-N 2.84Å; M254-L257 PolarHBondContact O-N 2.89Å; M254-L257 HydrophobicContact SD-CD1 4.19Å; L257-K262 HydrophobicContact CD2-CD 4.41Å; L257-K262 WeakPolarHBondContact O-CE 3.3Å; L257-K262 PolarHBondContact O-NZ 2.74Å; L257-I349 HydrophobicContact CD2-CG2 4.14Å
258Q97.7Very high98.3Very high143 Ų14349.2 Ų49.267%0.66823%0.232SC*.Hα-helixtrans-86.7-38.3175.8-71.4168.6-2.800112.6M254 H255 R256M254-Q258 WeakPolarHBondContact O-CB 3.39Å; M254-Q258 VanDerWaalsContact O-CG 3.27Å; M254-Q258 WeakPolarHBondContact O-CG 3.36Å; M254-Q258 PolarHBondContact O-N 3.33Å; H255-Q258 PolarHBondContact O-N 2.83Å; H255-Q258 VanDerWaalsContact O-N 3.12Å; R256-Q258 PolarHBondContact O-N 2.9Å
259T98.4Very high98.3Very high74 Ų7447.8 Ų47.845%0.45423%0.226SC..Hα-helixtrans-104.4-17.7-16761.40000115H255 R256H255-T259 PolarHBondContact NE2-OG1 3.44Å; H255-T259 WeakPolarHBondContact O-CG2 3.12Å; H255-T259 PolarHBondContact O-N 2.97Å; H255-T259 PolarHBondContact O-OG1 3.49Å; R256-T259 PolarHBondContact O-N 2.86Å
260Y98.6Very high98.4Very high14 Ų1443.7 Ų43.76%0.05520%0.204CC..SBendtrans-98.5151-174.6-74.329000111V195 E197 K200 L202 R256 K262V195-Y260 HydrophobicContact CG1-CD2 4.38Å; V195-Y260 HydrophobicContact CG1-CE2 3.9Å; E197-Y260 PolarHBondContact OE2-OH 2.95Å; K200-Y260 HydrophobicContact CB-CD1 3.77Å; K200-Y260 HydrophobicContact CB-CD2 4.09Å; K200-Y260 HydrophobicContact CB-CE1 3.92Å; K200-Y260 HydrophobicContact CB-CE2 4.21Å; K200-Y260 HydrophobicContact CB-CG 3.86Å; K200-Y260 HydrophobicContact CD-CE1 4.25Å; K200-Y260 HydrophobicContact CG-CD1 4.23Å; K200-Y260 HydrophobicContact CG-CE1 3.89Å; K200-Y260 CarbonylContact O-C 3.43Å; K200-Y260 WeakPolarHBondContact O-CA 3.34Å; K200-Y260 WeakPolarHBondContact O-CB 3.49Å; L202-Y260 HydrophobicContact CD2-CD2 4.05Å; L202-Y260 HydrophobicContact CG-CD2 4.13Å; L202-Y260 HydrophobicContact CG-CG 4.38Å; R256-Y260 HydrophobicContact CB-CD1 4.28Å; R256-Y260 HydrophobicContact CB-CD2 4.3Å; R256-Y260 HydrophobicContact CB-CG 4.17Å; R256-Y260 HydrophobicContact CG-CD1 4.24Å; R256-Y260 HydrophobicContact CG-CD2 4.25Å; R256-Y260 HydrophobicContact CG-CE1 3.98Å; R256-Y260 HydrophobicContact CG-CE2 4Å; R256-Y260 HydrophobicContact CG-CG 4.38Å; R256-Y260 VanDerWaalsContact O-CB 3.23Å; R256-Y260 WeakPolarHBondContact O-CB 3.2Å; R256-Y260 PolarHBondContact O-N 3.25Å; Y260-K262 PolarHBondContact O-NZ 3.43Å
261K98.4Very high98.4Very high98 Ų9840.5 Ų40.543%0.42619%0.189SC..EExtended strand (participates in β ladder)trans-75.1125.6173.4-69.9-68.4175.8-176.90110.9K200 V201 L202 D352K200-K261 PolarHBondContact O-N 2.84Å; V201-K261 CarbonylContact C-O 3.58Å; V201-K261 VanDerWaalsContact CA-O 3.24Å; V201-K261 WeakPolarHBondContact CA-O 3.47Å; V201-K261 HydrophobicContact CG1-CB 4.29Å; L202-K261 PolarHBondContact N-O 3.31Å; K261-D352 WeakPolarHBondContact CA-OD2 3.21Å; K261-D352 HydrophobicContact CD-CB 4.04Å; K261-D352 VanDerWaalsContact CD-CG 3.48Å; K261-D352 VanDerWaalsContact CD-OD1 3.28Å; K261-D352 WeakPolarHBondContact CD-OD1 3.41Å; K261-D352 IonicContact NZ-OD1 3.25Å; K261-D352 PolarHBondContact NZ-OD1 2.83Å
262K98.7Very high98.5Very high19 Ų1932 Ų328%0.08315%0.152CC..EExtended strand (participates in β ladder)trans-105.5128.5-174-67.6150.8-73.5-86.40110.4L202 L257 Y260 I349 D350 Y351 D352 L353L202-K262 HydrophobicContact CB-CB 4.47Å; L202-K262 HydrophobicContact CB-CG 3.85Å; L202-K262 HydrophobicContact CD1-CD 4.41Å; L202-K262 HydrophobicContact CD1-CG 3.77Å; L202-K262 HydrophobicContact CG-CG 4.3Å; L202-K262 CarbonylContact O-C 3.38Å; L202-K262 WeakPolarHBondContact O-CA 3.42Å; L257-K262 HydrophobicContact CD2-CD 4.41Å; L257-K262 WeakPolarHBondContact O-CE 3.3Å; L257-K262 PolarHBondContact O-NZ 2.74Å; Y260-K262 PolarHBondContact O-NZ 3.43Å; K262-I349 HydrophobicContact CD-CG2 4.03Å; K262-D350 WeakPolarHBondContact CD-O 3.39Å; K262-D350 WeakPolarHBondContact CE-O 3.32Å; K262-Y351 HydrophobicContact CB-CD1 4.01Å; K262-Y351 HydrophobicContact CB-CE1 4.49Å; K262-D352 WeakPolarHBondContact CE-OD2 3.35Å; K262-D352 PolarHBondContact N-OD2 2.93Å; K262-D352 IonicContact NZ-OD2 2.98Å; K262-D352 WeakPolarHBondContact O-CA 3.36Å; K262-D352 WeakPolarHBondContact O-CB 3.13Å; K262-D352 PolarHBondContact O-N 3Å; K262-L353 PolarHBondContact O-N 3.19Å
263F98.8Very high98.5Very high2 Ų228.6 Ų28.61%0.00914%0.137CC..EExtended strand (participates in β ladder)trans-141.1157.8175.774.5-82.7000113.4V201 L202 Y203 C204 W214 L218 F265 L353 L367V201-F263 HydrophobicContact CB-CE1 4.12Å; V201-F263 HydrophobicContact CG2-CE1 4.25Å; L202-F263 PolarHBondContact O-N 3.29Å; Y203-F263 WeakPolarHBondContact CA-O 3.32Å; Y203-F263 AromaticContact CD2-CD2 3.72Å; Y203-F263 HydrophobicContact CD2-CD2 3.72Å; Y203-F263 HydrophobicContact CD2-CE1 4.38Å; Y203-F263 AromaticContact CD2-CE2 3.22Å; Y203-F263 HydrophobicContact CD2-CE2 3.22Å; Y203-F263 HydrophobicContact CD2-CG 4.48Å; Y203-F263 AromaticContact CD2-CZ 3.62Å; Y203-F263 HydrophobicContact CD2-CZ 3.62Å; Y203-F263 HydrophobicContact CE2-CD2 4.37Å; Y203-F263 AromaticContact CE2-CE2 3.91Å; Y203-F263 HydrophobicContact CE2-CE2 3.91Å; Y203-F263 HydrophobicContact CG-CE1 4.44Å; Y203-F263 AromaticContact CG-CE2 3.91Å; Y203-F263 HydrophobicContact CG-CE2 3.91Å; Y203-F263 AromaticContact CG-CZ 3.8Å; Y203-F263 HydrophobicContact CG-CZ 3.8Å; C204-F263 PolarHBondContact N-O 3.09Å; W214-F263 AromaticContact CD2-CE2 3.72Å; W214-F263 HydrophobicContact CD2-CE2 3.72Å; W214-F263 HydrophobicContact CD2-CZ 4.28Å; W214-F263 AromaticContact CE3-CE2 3.53Å; W214-F263 HydrophobicContact CE3-CE2 3.53Å; W214-F263 AromaticContact CE3-CZ 3.68Å; W214-F263 HydrophobicContact CE3-CZ 3.68Å; W214-F263 HydrophobicContact CG-CE2 4.44Å; W214-F263 HydrophobicContact CH2-CE2 4.07Å; W214-F263 HydrophobicContact CZ2-CE2 4.22Å; W214-F263 AromaticContact CZ3-CE2 3.71Å; W214-F263 HydrophobicContact CZ3-CE2 3.71Å; W214-F263 AromaticContact CZ3-CZ 3.84Å; W214-F263 HydrophobicContact CZ3-CZ 3.84Å; L218-F263 HydrophobicContact CD2-CZ 4.31Å; F263-F265 HydrophobicContact CD2-CD2 4.07Å; F263-F265 AromaticContact CD2-CE2 3.99Å; F263-F265 HydrophobicContact CD2-CE2 3.99Å; F263-F265 HydrophobicContact CE2-CD2 4.41Å; F263-F265 HydrophobicContact CE2-CE2 4.38Å; F263-L353 WeakPolarHBondContact CA-O 3.12Å; F263-L353 HydrophobicContact CB-CB 4.06Å; F263-L353 HydrophobicContact CB-CD2 4.34Å; F263-L353 WeakPolarHBondContact CB-O 3.44Å; F263-L367 HydrophobicContact CB-CD1 4.47Å; F263-L367 HydrophobicContact CB-CD2 3.95Å; F263-L367 HydrophobicContact CD1-CD2 3.75Å; F263-L367 HydrophobicContact CD2-CD2 3.3Å; F263-L367 HydrophobicContact CE1-CD2 3.99Å; F263-L367 HydrophobicContact CE2-CD2 3.57Å; F263-L367 HydrophobicContact CG-CD1 4.47Å; F263-L367 HydrophobicContact CG-CD2 3.38Å; F263-L367 HydrophobicContact CZ-CD2 3.9Å
264M98.6Very high98.5Very high0 Ų028.6 Ų28.60%014%0.137CC..EExtended strand (participates in β ladder)trans-146.1155172.565178.9-60.600109.7C204 V206 V266 C344 Y351 L353 I354 G355 F423C204-M264 HydrophobicContact CB-CB 4.06Å; V206-M264 HydrophobicContact CG2-CE 3.72Å; M264-V266 HydrophobicContact CE-CG1 3.5Å; M264-C344 HydrophobicContact CE-CB 3.63Å; M264-C344 HydrophobicContact SD-CB 3.95Å; M264-Y351 HydrophobicContact CB-CD1 4.2Å; M264-Y351 HydrophobicContact CB-CE1 3.99Å; M264-Y351 HydrophobicContact CG-CD1 4.04Å; M264-Y351 HydrophobicContact CG-CE1 4.17Å; M264-Y351 HydrophobicContact CG-CG 4.31Å; M264-Y351 HydrophobicContact SD-CD1 4.41Å; M264-Y351 HydrophobicContact SD-CD2 4.1Å; M264-Y351 HydrophobicContact SD-CE1 4.31Å; M264-Y351 HydrophobicContact SD-CE2 3.97Å; M264-Y351 HydrophobicContact SD-CG 4.33Å; M264-L353 PolarHBondContact N-O 2.76Å; M264-L353 VanDerWaalsContact N-O 3.13Å; M264-I354 HydrophobicContact CG-CB 4.47Å; M264-I354 HydrophobicContact CG-CG1 4.2Å; M264-I354 HydrophobicContact CG-CG2 4.22Å; M264-I354 CarbonylContact O-C 3.32Å; M264-G355 PolarHBondContact O-N 2.92Å; M264-F423 HydrophobicContact CE-CE1 3.97Å; M264-F423 HydrophobicContact CE-CZ 3.89Å; M264-F423 HydrophobicContact SD-CE1 4.08Å; M264-F423 HydrophobicContact SD-CZ 4.41Å
265F98.6Very high98.5Very high0 Ų026.6 Ų26.60%013%0.129CC..EExtended strand (participates in β ladder)trans-117.2125.8170-84.3-103.5000109.5V206 S209 W214 F263 L353 G355 M360 E363 L367V206-F265 WeakPolarHBondContact CB-O 3.47Å; S209-F265 VanDerWaalsContact CB-O 3.24Å; S209-F265 WeakPolarHBondContact CB-O 3.44Å; W214-F265 AromaticContact CE2-CD2 3.54Å; W214-F265 AromaticContact CE2-CE2 3.51Å; W214-F265 AromaticContact CH2-CE2 3.98Å; W214-F265 HydrophobicContact CH2-CE2 3.98Å; W214-F265 HydrophobicContact CH2-CZ 4.39Å; W214-F265 AromaticContact CZ2-CD2 3.68Å; W214-F265 HydrophobicContact CZ2-CD2 3.68Å; W214-F265 HydrophobicContact CZ2-CE1 4.3Å; W214-F265 AromaticContact CZ2-CE2 3.09Å; W214-F265 HydrophobicContact CZ2-CE2 3.09Å; W214-F265 HydrophobicContact CZ2-CG 4.49Å; W214-F265 AromaticContact CZ2-CZ 3.46Å; W214-F265 HydrophobicContact CZ2-CZ 3.46Å; W214-F265 VanDerWaalsContact CZ2-CZ 3.46Å; W214-F265 AromaticContact NE1-CD2 3.24Å; W214-F265 AromaticContact NE1-CE2 3.67Å; W214-F265 AromaticContact NE1-CG 3.52Å; F263-F265 HydrophobicContact CD2-CD2 4.07Å; F263-F265 AromaticContact CD2-CE2 3.99Å; F263-F265 HydrophobicContact CD2-CE2 3.99Å; F263-F265 HydrophobicContact CE2-CD2 4.41Å; F263-F265 HydrophobicContact CE2-CE2 4.38Å; F265-L353 HydrophobicContact CE2-CD2 3.97Å; F265-L353 HydrophobicContact CZ-CD2 4.12Å; F265-G355 CarbonylContact C-O 3.42Å; F265-G355 WeakPolarHBondContact CA-O 3.07Å; F265-M360 HydrophobicContact CB-CE 4.02Å; F265-M360 HydrophobicContact CD1-CE 3.55Å; F265-M360 HydrophobicContact CD1-SD 3.37Å; F265-M360 WeakPolarHBondContact CD1-SD 3.32Å; F265-M360 HydrophobicContact CE1-CE 4.27Å; F265-M360 HydrophobicContact CE1-SD 3.47Å; F265-M360 WeakPolarHBondContact CE1-SD 3.36Å; F265-M360 HydrophobicContact CG-CE 3.9Å; F265-M360 HydrophobicContact CG-SD 3.97Å; F265-M360 HydrophobicContact CZ-SD 4.16Å; F265-E363 HydrophobicContact CE1-CB 4.02Å; F265-E363 HydrophobicContact CZ-CB 4.16Å; F265-L367 HydrophobicContact CE2-CD2 4.34Å
266V98.6Very high98.5Very high0 Ų022 Ų220%011%0.107CC..EExtended strand (participates in β ladder)trans-102.7166.8175.4-67.80000110.6M264 M340 I354 G355 K356 F357 F423 Y425M264-V266 HydrophobicContact CE-CG1 3.5Å; V266-M340 HydrophobicContact CB-CE 4.18Å; V266-M340 HydrophobicContact CB-SD 3.68Å; V266-M340 HydrophobicContact CG1-CB 4.46Å; V266-M340 HydrophobicContact CG1-CE 4.41Å; V266-M340 HydrophobicContact CG1-SD 3.77Å; V266-I354 HydrophobicContact CG2-CG2 4.23Å; V266-G355 VanDerWaalsContact CG2-O 3.25Å; V266-G355 WeakPolarHBondContact CG2-O 3.44Å; V266-G355 PolarHBondContact N-O 2.77Å; V266-K356 HydrophobicContact CG2-CG 4.3Å; V266-K356 CarbonylContact O-C 3.52Å; V266-F357 WeakPolarHBondContact O-CB 3.4Å; V266-F357 PolarHBondContact O-N 3.29Å; V266-F423 HydrophobicContact CB-CD1 4.28Å; V266-F423 HydrophobicContact CB-CG 4.27Å; V266-F423 HydrophobicContact CG1-CD1 3.58Å; V266-F423 HydrophobicContact CG1-CD2 4.08Å; V266-F423 HydrophobicContact CG1-CE1 3.48Å; V266-F423 VanDerWaalsContact CG1-CE1 3.48Å; V266-F423 HydrophobicContact CG1-CE2 4.03Å; V266-F423 HydrophobicContact CG1-CG 3.88Å; V266-F423 HydrophobicContact CG1-CZ 3.74Å; V266-F423 HydrophobicContact CG2-CB 4.14Å; V266-F423 HydrophobicContact CG2-CD1 3.99Å; V266-F423 HydrophobicContact CG2-CG 4.1Å; V266-Y425 HydrophobicContact CB-CE2 4.42Å; V266-Y425 HydrophobicContact CG2-CE2 4.03Å; V266-Y425 WeakPolarHBondContact CG2-OH 3.42Å; V266-Y425 PolarHBondContact O-OH 3.21Å
267R98.5Very high98.5Very high10 Ų1021.6 Ų21.64%0.03811%0.106CC..  trans-138.1155.8177.2-177.8173.1-179.6168.45.1108.9K208 S209 P269 D271 R272 M340 F357 T392 Y425K208-R267 VanDerWaalsContact O-CD 3.23Å; K208-R267 WeakPolarHBondContact O-CD 3.34Å; K208-R267 PolarHBondContact O-NH1 3.45Å; S209-R267 WeakPolarHBondContact OG-CB 3.42Å; R267-P269 VanDerWaalsContact O-N 3.15Å; R267-D271 HydrophobicContact CG-CB 4.42Å; R267-D271 IonicContact NH2-OD2 2.8Å; R267-R272 HydrophobicContact CB-CB 4.41Å; R267-R272 HydrophobicContact CG-CB 4.49Å; R267-M340 WeakPolarHBondContact O-CE 3.45Å; R267-F357 HydrophobicContact CB-CB 3.79Å; R267-F357 HydrophobicContact CB-CG 4.38Å; R267-F357 HydrophobicContact CG-CB 3.92Å; R267-F357 HydrophobicContact CG-CD1 4.06Å; R267-F357 HydrophobicContact CG-CG 4.15Å; R267-T392 PolarHBondContact NH2-O 3.28Å; R267-Y425 VanDerWaalsContact CA-OH 3.24Å; R267-Y425 WeakPolarHBondContact CA-OH 3.2Å; R267-Y425 PolarHBondContact N-OH 3Å
268E98.6Very high98.5Very high25 Ų2522 Ų2212%0.11711%0.106CC..  trans-44122.3168.3-160.8-63.8137.500109.6L270 D271 R272 E358 Y420 Y425E268-L270 PolarHBondContact O-N 2.99Å; E268-L270 WeakPolarHBondContact OE2-CA 3.25Å; E268-L270 PolarHBondContact OE2-N 3.46Å; E268-D271 HydrophobicContact CB-CB 4.05Å; E268-D271 PolarHBondContact O-N 3.34Å; E268-D271 PolarHBondContact OE2-N 2.84Å; E268-R272 PolarHBondContact O-N 3.45Å; E268-E358 PolarHBondContact N-OE1 2.88Å; E268-Y420 VanDerWaalsContact OE1-CE1 3.23Å; E268-Y420 WeakPolarHBondContact OE1-CE1 3.48Å; E268-Y420 VanDerWaalsContact OE1-CZ 3.23Å; E268-Y420 PolarHBondContact OE1-OH 3Å; E268-Y425 HydrophobicContact CB-CD1 4.21Å; E268-Y425 HydrophobicContact CB-CE1 4.07Å; E268-Y425 HydrophobicContact CG-CD1 4.24Å; E268-Y425 PolarHBondContact N-OH 3.35Å
269P98.6Very high98.5Very high0 Ų015.9 Ų15.90%08%0.078CC..Hα-helixtrans-57.8-40.4-167-3035.5000115.4R267 R272 V273 M340 Y416 D419 Y420 Y425R267-P269 VanDerWaalsContact O-N 3.15Å; P269-R272 WeakPolarHBondContact O-CB 3.29Å; P269-R272 PolarHBondContact O-N 3.15Å; P269-V273 VanDerWaalsContact O-CG2 3.31Å; P269-V273 WeakPolarHBondContact O-CG2 3.46Å; P269-V273 PolarHBondContact O-N 3.5Å; P269-V273 VanDerWaalsContact O-N 3.17Å; P269-M340 HydrophobicContact CG-CE 4.03Å; P269-Y416 HydrophobicContact CB-CD1 4.44Å; P269-Y416 HydrophobicContact CB-CG 4.07Å; P269-D419 HydrophobicContact CG-CB 3.97Å; P269-Y420 HydrophobicContact CB-CD2 4.38Å; P269-Y420 HydrophobicContact CB-CE2 3.73Å; P269-Y420 HydrophobicContact CG-CD1 4.36Å; P269-Y420 HydrophobicContact CG-CD2 3.95Å; P269-Y420 HydrophobicContact CG-CE1 4.07Å; P269-Y420 HydrophobicContact CG-CE2 3.68Å; P269-Y420 HydrophobicContact CG-CG 4.27Å; P269-Y425 HydrophobicContact CG-CD2 4.46Å
270L98.6Very high98.4Very high1 Ų112.8 Ų12.81%0.0056%0.058CC..Hα-helixtrans-80.7-32.4-177.8-65.6-172.8000112.5E268 R272 V273 V274 T397 F401 A412 Y416 Y420 P428 F429E268-L270 PolarHBondContact O-N 2.99Å; E268-L270 WeakPolarHBondContact OE2-CA 3.25Å; E268-L270 PolarHBondContact OE2-N 3.46Å; L270-R272 PolarHBondContact O-N 2.71Å; L270-V273 PolarHBondContact O-N 3.19Å; L270-V274 WeakPolarHBondContact O-CG2 3.48Å; L270-V274 PolarHBondContact O-N 3.4Å; L270-T397 HydrophobicContact CB-CG2 4.04Å; L270-F401 HydrophobicContact CB-CD2 4.49Å; L270-F401 HydrophobicContact CB-CE2 3.72Å; L270-F401 HydrophobicContact CB-CZ 4.11Å; L270-F401 HydrophobicContact CD1-CE1 4.32Å; L270-F401 HydrophobicContact CD1-CE2 4.09Å; L270-F401 HydrophobicContact CD1-CZ 4Å; L270-F401 HydrophobicContact CD2-CE1 4.36Å; L270-F401 HydrophobicContact CD2-CE2 4.22Å; L270-F401 HydrophobicContact CD2-CZ 3.68Å; L270-F401 HydrophobicContact CG-CE2 4.19Å; L270-F401 HydrophobicContact CG-CZ 4.11Å; L270-A412 HydrophobicContact CD2-CB 4.25Å; L270-Y416 HydrophobicContact CD2-CD2 4.01Å; L270-Y416 HydrophobicContact CD2-CE2 4.44Å; L270-Y420 WeakPolarHBondContact CG-OH 3.27Å; L270-P428 HydrophobicContact CD1-CB 4.37Å; L270-P428 HydrophobicContact CD1-CG 3.73Å; L270-P428 HydrophobicContact CG-CG 4.5Å; L270-F429 HydrophobicContact CD1-CD2 4.31Å; L270-F429 HydrophobicContact CD1-CE2 3.63Å
271D98.7Very high98.4Very high16 Ų1612.4 Ų12.49%0.0866%0.057CC..Hα-helixtrans-58.4-39.7166.2-82.47.1000111.3R267 E268 S275 T397R267-D271 HydrophobicContact CG-CB 4.42Å; R267-D271 IonicContact NH2-OD2 2.8Å; E268-D271 HydrophobicContact CB-CB 4.05Å; E268-D271 PolarHBondContact O-N 3.34Å; E268-D271 PolarHBondContact OE2-N 2.84Å; D271-S275 VanDerWaalsContact O-CB 3.23Å; D271-S275 WeakPolarHBondContact O-CB 3.31Å; D271-S275 PolarHBondContact O-N 3.4Å; D271-T397 WeakPolarHBondContact CA-OG1 3.42Å; D271-T397 WeakPolarHBondContact OD1-CB 3.12Å; D271-T397 WeakPolarHBondContact OD1-CG2 3.5Å; D271-T397 PolarHBondContact OD1-OG1 3.19Å
272R98.6Very high98.3Very high0 Ų011.3 Ų11.30%05%0.054CC..Hα-helixtrans-63.2-43.9176.8-159-173.787843.2111P207 K208 R267 E268 P269 L270 S275 A276 H336 E338P207-R272 PolarHBondContact O-NH1 3.37Å; K208-R272 HydrophobicContact CB-CG 3.85Å; R267-R272 HydrophobicContact CB-CB 4.41Å; R267-R272 HydrophobicContact CG-CB 4.49Å; E268-R272 PolarHBondContact O-N 3.45Å; P269-R272 WeakPolarHBondContact O-CB 3.29Å; P269-R272 PolarHBondContact O-N 3.15Å; L270-R272 PolarHBondContact O-N 2.71Å; R272-S275 PolarHBondContact O-N 2.95Å; R272-A276 PolarHBondContact O-N 3.16Å; R272-H336 VanDerWaalsContact CZ-O 3.26Å; R272-H336 PolarHBondContact NH1-O 3.45Å; R272-H336 VanDerWaalsContact NH1-O 3.09Å; R272-H336 PolarHBondContact NH2-O 3.35Å; R272-H336 VanDerWaalsContact NH2-O 3.11Å; R272-E338 PolarHBondContact NH2-O 2.8Å
273V98.6Very high98Very high1 Ų112 Ų121%0.0066%0.058CC..Hα-helixtrans-64.4-47.1178.2173.40000111.5P269 L270 S275 A276 Y277 F320 L324 Y416P269-V273 VanDerWaalsContact O-CG2 3.31Å; P269-V273 WeakPolarHBondContact O-CG2 3.46Å; P269-V273 PolarHBondContact O-N 3.5Å; P269-V273 VanDerWaalsContact O-N 3.17Å; L270-V273 PolarHBondContact O-N 3.19Å; V273-S275 VanDerWaalsContact C-N 3.32Å; V273-S275 PolarHBondContact O-N 3.32Å; V273-A276 WeakPolarHBondContact O-CB 3.24Å; V273-A276 PolarHBondContact O-N 3.14Å; V273-A276 VanDerWaalsContact O-N 3.13Å; V273-Y277 PolarHBondContact O-N 2.96Å; V273-F320 HydrophobicContact CG1-CE1 3.72Å; V273-F320 HydrophobicContact CG1-CZ 4.45Å; V273-L324 HydrophobicContact CG1-CD2 4.17Å; V273-Y416 HydrophobicContact CG2-CD2 4.23Å; V273-Y416 HydrophobicContact CG2-CE1 4.26Å; V273-Y416 HydrophobicContact CG2-CE2 3.33Å; V273-Y416 VanDerWaalsContact CG2-OH 3.24Å; V273-Y416 WeakPolarHBondContact CG2-OH 3.35Å
274V98.7Very high97.7Very high0 Ų017.5 Ų17.50%09%0.094CC..Hα-helixtrans-62.8-42.9175.8169.60000110.1L270 A276 Y277 R278 F317 T392 I396 T397 Y400 F401L270-V274 WeakPolarHBondContact O-CG2 3.48Å; L270-V274 PolarHBondContact O-N 3.4Å; V274-A276 VanDerWaalsContact C-N 3.26Å; V274-A276 PolarHBondContact O-N 3.02Å; V274-Y277 PolarHBondContact O-N 2.8Å; V274-R278 HydrophobicContact CG1-CG 4.13Å; V274-R278 WeakPolarHBondContact O-CB 3.44Å; V274-R278 WeakPolarHBondContact O-CG 3Å; V274-R278 PolarHBondContact O-N 3.17Å; V274-F317 HydrophobicContact CG2-CE2 3.83Å; V274-F317 HydrophobicContact CG2-CZ 3.8Å; V274-T392 HydrophobicContact CB-CG2 4.02Å; V274-T392 HydrophobicContact CG1-CG2 3.65Å; V274-I396 HydrophobicContact CG1-CG2 4.2Å; V274-T397 HydrophobicContact CG2-CG2 3.99Å; V274-Y400 HydrophobicContact CG1-CD2 3.36Å; V274-Y400 HydrophobicContact CG1-CE2 3.77Å; V274-Y400 HydrophobicContact CG1-CG 4.03Å; V274-Y400 HydrophobicContact CG2-CD2 4.35Å; V274-Y400 HydrophobicContact CG2-CG 4.34Å; V274-F401 HydrophobicContact CG2-CD2 4.15Å; V274-F401 HydrophobicContact CG2-CE2 3.72Å
275S98.4Very high97.6Very high19 Ų1918.1 Ų18.113%0.13310%0.097CC..Hα-helixtrans-59.3-36.9174.2-174.60000112.7K208 D271 R272 V273 D279 T392K208-S275 WeakPolarHBondContact CE-O 3.36Å; K208-S275 WeakPolarHBondContact CE-OG 3.46Å; D271-S275 VanDerWaalsContact O-CB 3.23Å; D271-S275 WeakPolarHBondContact O-CB 3.31Å; D271-S275 PolarHBondContact O-N 3.4Å; R272-S275 PolarHBondContact O-N 2.95Å; V273-S275 VanDerWaalsContact C-N 3.32Å; V273-S275 PolarHBondContact O-N 3.32Å; S275-D279 VanDerWaalsContact O-CB 3.24Å; S275-D279 WeakPolarHBondContact O-CB 3.41Å; S275-D279 PolarHBondContact O-N 3.32Å; S275-D279 VanDerWaalsContact O-N 3.16Å; S275-T392 WeakPolarHBondContact CA-OG1 3.36Å
276A98.4Very high97.5Very high0 Ų023.9 Ų23.90%013%0.128CC..Hα-helixtrans-66.9-48.717500000111.7K208 R272 V273 V274 R278 D279 K280 H336 W337K208-A276 HydrophobicContact CD-CB 4.41Å; K208-A276 HydrophobicContact CG-CB 3.97Å; R272-A276 PolarHBondContact O-N 3.16Å; V273-A276 WeakPolarHBondContact O-CB 3.24Å; V273-A276 PolarHBondContact O-N 3.14Å; V273-A276 VanDerWaalsContact O-N 3.13Å; V274-A276 VanDerWaalsContact C-N 3.26Å; V274-A276 PolarHBondContact O-N 3.02Å; A276-R278 PolarHBondContact O-N 2.76Å; A276-D279 PolarHBondContact O-N 2.92Å; A276-K280 WeakPolarHBondContact O-CB 3.19Å; A276-K280 WeakPolarHBondContact O-CG 3.23Å; A276-K280 PolarHBondContact O-N 3.38Å; A276-H336 HydrophobicContact CB-CB 4Å; A276-H336 WeakPolarHBondContact CB-O 3.35Å; A276-W337 HydrophobicContact CB-CE3 4.42Å
277Y98.6Very high97.4Very high16 Ų1630.8 Ų30.86%0.06316%0.155CC..Hα-helixtrans-55.2-52.9177.4169-100.1000111.6V273 V274 D279 K280 F281 E282 V315 F317 F320 Y400V273-Y277 PolarHBondContact O-N 2.96Å; V274-Y277 PolarHBondContact O-N 2.8Å; Y277-D279 VanDerWaalsContact C-N 3.27Å; Y277-D279 PolarHBondContact O-N 3.33Å; Y277-K280 PolarHBondContact O-N 3.08Å; Y277-K280 VanDerWaalsContact O-N 3.11Å; Y277-F281 HydrophobicContact CD2-CB 4.09Å; Y277-F281 AromaticContact CD2-CD2 3.68Å; Y277-F281 HydrophobicContact CD2-CD2 3.68Å; Y277-F281 HydrophobicContact CD2-CG 4.26Å; Y277-F281 HydrophobicContact CE2-CB 3.85Å; Y277-F281 HydrophobicContact CE2-CD2 4.16Å; Y277-F281 HydrophobicContact CE2-CG 4.31Å; Y277-F281 PolarHBondContact O-N 3.23Å; Y277-E282 HydrophobicContact CE1-CG 4.01Å; Y277-V315 HydrophobicContact CE2-CG1 4.4Å; Y277-V315 WeakPolarHBondContact CE2-O 3.2Å; Y277-V315 PolarHBondContact OH-O 3.24Å; Y277-F317 HydrophobicContact CD1-CB 4.34Å; Y277-F317 AromaticContact CD1-CD2 3.69Å; Y277-F317 HydrophobicContact CD1-CD2 3.69Å; Y277-F317 HydrophobicContact CD1-CG 4.48Å; Y277-F317 HydrophobicContact CD2-CD2 4.11Å; Y277-F317 HydrophobicContact CE1-CB 3.95Å; Y277-F317 HydrophobicContact CE1-CD2 4.17Å; Y277-F317 HydrophobicContact CE2-CB 4.32Å; Y277-F317 AromaticContact CG-CD2 3.66Å; Y277-F317 HydrophobicContact CG-CD2 3.66Å; Y277-F317 HydrophobicContact CG-CE2 4.37Å; Y277-F317 PolarHBondContact OH-N 3.44Å; Y277-F317 VanDerWaalsContact OH-N 3.14Å; Y277-F320 HydrophobicContact CD2-CB 3.73Å; Y277-F320 AromaticContact CD2-CD1 3.87Å; Y277-F320 HydrophobicContact CD2-CD1 3.87Å; Y277-F320 AromaticContact CD2-CG 3.78Å; Y277-F320 HydrophobicContact CD2-CG 3.78Å; Y277-F320 HydrophobicContact CE2-CB 4.08Å; Y277-F320 HydrophobicContact CG-CD1 4.21Å; Y277-Y400 HydrophobicContact CD1-CD1 4.33Å; Y277-Y400 AromaticContact CD1-CE1 3.97Å; Y277-Y400 HydrophobicContact CD1-CE1 3.97Å; Y277-Y400 HydrophobicContact CE1-CD1 4.19Å; Y277-Y400 AromaticContact CE1-CE1 3.63Å; Y277-Y400 HydrophobicContact CE1-CE1 3.63Å
278R98.1Very high97.3Very high24 Ų2431.2 Ų31.29%0.09116%0.157CC..Hα-helixtrans-59.4-38.1-179.1-64.7-178.167.7-151.8-0.3112.9V274 A276 E282 V390 T392 Y400V274-R278 HydrophobicContact CG1-CG 4.13Å; V274-R278 WeakPolarHBondContact O-CB 3.44Å; V274-R278 WeakPolarHBondContact O-CG 3Å; V274-R278 PolarHBondContact O-N 3.17Å; A276-R278 PolarHBondContact O-N 2.76Å; R278-E282 WeakPolarHBondContact CA-OE2 3.5Å; R278-E282 HydrophobicContact CB-CG 4.45Å; R278-E282 VanDerWaalsContact CB-OE2 3.23Å; R278-E282 WeakPolarHBondContact CB-OE2 3.24Å; R278-E282 WeakPolarHBondContact CG-OE2 3.33Å; R278-E282 IonicContact NE-OE2 3.83Å; R278-E282 PolarHBondContact NE-OE2 3.31Å; R278-E282 WeakPolarHBondContact O-CB 3.45Å; R278-V390 PolarHBondContact NH1-O 2.91Å; R278-V390 VanDerWaalsContact NH1-O 3.12Å; R278-V390 PolarHBondContact NH2-O 2.94Å; R278-T392 PolarHBondContact NH1-OG1 2.98Å; R278-T392 VanDerWaalsContact NH1-OG1 3.13Å; R278-Y400 HydrophobicContact CG-CE2 4.04Å
279D96.7Very high97.3Very high14 Ų1430.2 Ų30.28%0.07515%0.152CC..Hα-helixtrans-70.6-34.3177.6-174.377.3000113.8K208 S275 A276 Y277 R385K208-D279 IonicContact NZ-OD1 2.77Å; K208-D279 PolarHBondContact NZ-OD1 2.94Å; K208-D279 IonicContact NZ-OD2 3.31Å; K208-D279 PolarHBondContact NZ-OD2 3.48Å; S275-D279 VanDerWaalsContact O-CB 3.24Å; S275-D279 WeakPolarHBondContact O-CB 3.41Å; S275-D279 PolarHBondContact O-N 3.32Å; S275-D279 VanDerWaalsContact O-N 3.16Å; A276-D279 PolarHBondContact O-N 2.92Å; Y277-D279 VanDerWaalsContact C-N 3.27Å; Y277-D279 PolarHBondContact O-N 3.33Å; D279-R385 VanDerWaalsContact OD1-CD 3.27Å; D279-R385 WeakPolarHBondContact OD1-CD 3.32Å; D279-R385 IonicContact OD1-NE 2.64Å
280K97.6Very high97.3Very high9 Ų934 Ų344%0.03917%0.172CC..Hα-helixtrans-98.1-26.3-170.9-61.7-41.9-175-159.50114.4A276 Y277 Y288 H289 H336 W337A276-K280 WeakPolarHBondContact O-CB 3.19Å; A276-K280 WeakPolarHBondContact O-CG 3.23Å; A276-K280 PolarHBondContact O-N 3.38Å; Y277-K280 PolarHBondContact O-N 3.08Å; Y277-K280 VanDerWaalsContact O-N 3.11Å; K280-Y288 HydrophobicContact CB-CD1 3.83Å; K280-Y288 HydrophobicContact CB-CE1 4.43Å; K280-Y288 HydrophobicContact CB-CG 3.97Å; K280-Y288 HydrophobicContact CD-CD1 3.94Å; K280-Y288 HydrophobicContact CD-CD2 3.68Å; K280-Y288 HydrophobicContact CD-CE1 3.93Å; K280-Y288 HydrophobicContact CD-CE2 3.63Å; K280-Y288 HydrophobicContact CD-CG 3.85Å; K280-Y288 VanDerWaalsContact CE-CZ 3.47Å; K280-Y288 HydrophobicContact CG-CD1 3.71Å; K280-Y288 HydrophobicContact CG-CD2 4.36Å; K280-Y288 HydrophobicContact CG-CE1 3.81Å; K280-Y288 HydrophobicContact CG-CE2 4.42Å; K280-Y288 HydrophobicContact CG-CG 4.02Å; K280-H289 PolarHBondContact O-CD2 2.56Å; K280-H289 PolarHBondContact O-NE2 3.25Å; K280-H336 VanDerWaalsContact CE-CE1 3.49Å; K280-H336 WeakPolarHBondContact CE-CE1 3.32Å; K280-H336 WeakPolarHBondContact CE-NE2 3.33Å; K280-H336 PolarHBondContact NZ-NE2 3.3Å; K280-H336 VanDerWaalsContact NZ-NE2 3.11Å; K280-W337 HydrophobicContact CG-CZ3 4.39Å
281F98Very high97.3Very high7 Ų737.2 Ų37.23%0.03119%0.189CC..Hα-helixtrans-125.9-15.8-168.8-61.7-69.9000115.7Y277 F292 I296 V315 F320 W337Y277-F281 HydrophobicContact CD2-CB 4.09Å; Y277-F281 AromaticContact CD2-CD2 3.68Å; Y277-F281 HydrophobicContact CD2-CD2 3.68Å; Y277-F281 HydrophobicContact CD2-CG 4.26Å; Y277-F281 HydrophobicContact CE2-CB 3.85Å; Y277-F281 HydrophobicContact CE2-CD2 4.16Å; Y277-F281 HydrophobicContact CE2-CG 4.31Å; Y277-F281 PolarHBondContact O-N 3.23Å; F281-F292 HydrophobicContact CE1-CB 4Å; F281-F292 HydrophobicContact CZ-CB 3.79Å; F281-I296 HydrophobicContact CE1-CD1 4.45Å; F281-I296 HydrophobicContact CZ-CD1 4.03Å; F281-V315 HydrophobicContact CB-CB 4.31Å; F281-V315 HydrophobicContact CD1-CB 3.88Å; F281-V315 HydrophobicContact CD1-CG1 4.36Å; F281-V315 HydrophobicContact CD1-CG2 3.75Å; F281-V315 HydrophobicContact CE1-CB 4.46Å; F281-V315 HydrophobicContact CE1-CG2 4.04Å; F281-V315 HydrophobicContact CG-CB 4.15Å; F281-V315 HydrophobicContact CG-CG1 4.44Å; F281-F320 HydrophobicContact CD2-CD2 4.36Å; F281-F320 AromaticContact CE2-CD2 3.71Å; F281-F320 HydrophobicContact CE2-CD2 3.71Å; F281-F320 AromaticContact CE2-CE2 3.95Å; F281-F320 HydrophobicContact CE2-CE2 3.95Å; F281-F320 HydrophobicContact CZ-CD2 4.44Å; F281-W337 HydrophobicContact CE2-CZ3 4.5Å
282E95.8Very high97.3Very high75 Ų7536.9 Ų36.935%0.3519%0.187SC..SBendtrans-88.6-23.7179.9-65.6-173153.800113.7Y277 R278 Y400Y277-E282 HydrophobicContact CE1-CG 4.01Å; R278-E282 WeakPolarHBondContact CA-OE2 3.5Å; R278-E282 HydrophobicContact CB-CG 4.45Å; R278-E282 VanDerWaalsContact CB-OE2 3.23Å; R278-E282 WeakPolarHBondContact CB-OE2 3.24Å; R278-E282 WeakPolarHBondContact CG-OE2 3.33Å; R278-E282 IonicContact NE-OE2 3.83Å; R278-E282 PolarHBondContact NE-OE2 3.31Å; R278-E282 WeakPolarHBondContact O-CB 3.45Å; E282-Y400 VanDerWaalsContact CD-OH 3.32Å; E282-Y400 VanDerWaalsContact OE1-CZ 3.26Å; E282-Y400 PolarHBondContact OE1-OH 3.41Å; E282-Y400 PolarHBondContact OE2-OH 2.98Å
283N93.8Very high97.3Very high34 Ų3436.9 Ų36.918%0.18219%0.187CC..SBendtrans-116154.2-177.4-71.8-85.9000109.8N285 H289 N386 D389N283-N285 PolarHBondContact O-N 3.28Å; N283-H289 PolarHBondContact O-CE1 2.83Å; N283-H289 PolarHBondContact O-NE2 2.87Å; N283-N386 WeakPolarHBondContact CB-ND2 3.36Å; N283-N386 VanDerWaalsContact CG-CG 3.47Å; N283-N386 VanDerWaalsContact CG-ND2 3.29Å; N283-N386 PolarHBondContact ND2-ND2 3.45Å; N283-D389 PolarHBondContact ND2-OD2 3.42Å
284P92.8Very high97.3Very high117 Ų11739.8 Ų39.876%0.7620%0.2SC*.  trans-49.9123.2177.1-28.535.8000112.6
285N95.4Very high97.3Very high13 Ų1341.6 Ų41.67%0.0721%0.211CC..  trans-158.978.4-176.4-173.3-10.2000110.6N283 Y287 Y288 H289 R385N283-N285 PolarHBondContact O-N 3.28Å; N285-Y287 PolarHBondContact O-N 2.87Å; N285-Y287 VanDerWaalsContact O-N 3.13Å; N285-Y288 VanDerWaalsContact ND2-CD2 3.32Å; N285-Y288 WeakPolarHBondContact ND2-CD2 3.29Å; N285-Y288 PolarHBondContact O-N 2.89Å; N285-Y288 VanDerWaalsContact O-N 3.13Å; N285-Y288 PolarHBondContact OD1-N 3.25Å; N285-H289 WeakPolarHBondContact O-CB 3.17Å; N285-H289 PolarHBondContact O-CD2 3.02Å; N285-H289 PolarHBondContact O-N 3.33Å; N285-R385 PolarHBondContact ND2-NH2 3Å
286D95.9Very high97.3Very high120 Ų12040.7 Ų40.764%0.64221%0.205SC*.Hα-helixtrans-53.7-39.2-174.1-64.8-12.8000112.9N290D286-N290 WeakPolarHBondContact O-CB 3.37Å; D286-N290 VanDerWaalsContact O-CG 3.25Å; D286-N290 PolarHBondContact O-N 3.12Å; D286-N290 PolarHBondContact O-ND2 3.26Å
287Y96.4Very high97.3Very high146 Ų14640.7 Ų40.757%0.57321%0.205SC*.Hα-helixtrans-61.6-52.6179177.3-97000111.9N285 L291N285-Y287 PolarHBondContact O-N 2.87Å; N285-Y287 VanDerWaalsContact O-N 3.13Å; Y287-L291 HydrophobicContact CE1-CD2 3.9Å; Y287-L291 HydrophobicContact CE2-CD2 4.27Å; Y287-L291 WeakPolarHBondContact O-CB 3.35Å; Y287-L291 PolarHBondContact O-N 3.4Å; Y287-L291 WeakPolarHBondContact OH-CD2 3.21Å
288Y98Very high97.3Very high18 Ų1843.7 Ų43.77%0.07123%0.228CC..Hα-helixtrans-72.7-35.4-178.7-86.1-93.2000112.4K280 N285 F292 G293 D334 H336 W337K280-Y288 HydrophobicContact CB-CD1 3.83Å; K280-Y288 HydrophobicContact CB-CE1 4.43Å; K280-Y288 HydrophobicContact CB-CG 3.97Å; K280-Y288 HydrophobicContact CD-CD1 3.94Å; K280-Y288 HydrophobicContact CD-CD2 3.68Å; K280-Y288 HydrophobicContact CD-CE1 3.93Å; K280-Y288 HydrophobicContact CD-CE2 3.63Å; K280-Y288 HydrophobicContact CD-CG 3.85Å; K280-Y288 VanDerWaalsContact CE-CZ 3.47Å; K280-Y288 HydrophobicContact CG-CD1 3.71Å; K280-Y288 HydrophobicContact CG-CD2 4.36Å; K280-Y288 HydrophobicContact CG-CE1 3.81Å; K280-Y288 HydrophobicContact CG-CE2 4.42Å; K280-Y288 HydrophobicContact CG-CG 4.02Å; N285-Y288 VanDerWaalsContact ND2-CD2 3.32Å; N285-Y288 WeakPolarHBondContact ND2-CD2 3.29Å; N285-Y288 PolarHBondContact O-N 2.89Å; N285-Y288 VanDerWaalsContact O-N 3.13Å; N285-Y288 PolarHBondContact OD1-N 3.25Å; Y288-F292 AromaticContact CD1-CD2 3.47Å; Y288-F292 HydrophobicContact CD1-CD2 3.47Å; Y288-F292 VanDerWaalsContact CD1-CD2 3.47Å; Y288-F292 AromaticContact CD1-CE2 3.79Å; Y288-F292 HydrophobicContact CD1-CE2 3.79Å; Y288-F292 HydrophobicContact CD1-CG 4.41Å; Y288-F292 AromaticContact CE1-CD2 3.81Å; Y288-F292 HydrophobicContact CE1-CD2 3.81Å; Y288-F292 AromaticContact CE1-CE2 3.62Å; Y288-F292 HydrophobicContact CE1-CE2 3.62Å; Y288-F292 HydrophobicContact CG-CD2 4.32Å; Y288-F292 WeakPolarHBondContact O-CA 3.5Å; Y288-F292 WeakPolarHBondContact O-CB 3.42Å; Y288-F292 PolarHBondContact O-N 3.15Å; Y288-G293 PolarHBondContact O-N 2.84Å; Y288-D334 WeakPolarHBondContact CE1-OD2 3.38Å; Y288-D334 PolarHBondContact OH-OD1 2.71Å; Y288-D334 PolarHBondContact OH-OD2 2.72Å; Y288-H336 PolarHBondContact OH-CE1 3.34Å; Y288-H336 PolarHBondContact OH-ND1 2.68Å; Y288-W337 HydrophobicContact CD1-CH2 4.27Å; Y288-W337 HydrophobicContact CD1-CZ3 4.39Å; Y288-W337 AromaticContact CE1-CH2 3.96Å; Y288-W337 HydrophobicContact CE1-CH2 3.96Å; Y288-W337 AromaticContact CE1-CZ3 3.98Å; Y288-W337 HydrophobicContact CE1-CZ3 3.98Å
289H98.3Very high97.3Very high5 Ų547.1 Ų47.12%0.02324%0.244CC..Iπ-helixtrans-67.8-40.6178.5-63.6-177.7000110.8K280 N283 N285 G293 K294 N313K280-H289 PolarHBondContact O-CD2 2.56Å; K280-H289 PolarHBondContact O-NE2 3.25Å; N283-H289 PolarHBondContact O-CE1 2.83Å; N283-H289 PolarHBondContact O-NE2 2.87Å; N285-H289 WeakPolarHBondContact O-CB 3.17Å; N285-H289 PolarHBondContact O-CD2 3.02Å; N285-H289 PolarHBondContact O-N 3.33Å; H289-G293 CarbonylContact O-C 3.42Å; H289-G293 WeakPolarHBondContact O-CA 3.49Å; H289-G293 PolarHBondContact O-N 2.57Å; H289-K294 PolarHBondContact O-N 3.14Å; H289-N313 PolarHBondContact CE1-OD1 3.25Å; H289-N313 PolarHBondContact ND1-OD1 3.07Å
290N98.1Very high97.4Very high79 Ų7948.3 Ų48.342%0.42225%0.248SC..Iπ-helixtrans-68.7-48.7173.7-75.1-57.1000112.6D286 K294D286-N290 WeakPolarHBondContact O-CB 3.37Å; D286-N290 VanDerWaalsContact O-CG 3.25Å; D286-N290 PolarHBondContact O-N 3.12Å; D286-N290 PolarHBondContact O-ND2 3.26Å; N290-K294 WeakPolarHBondContact OD1-CE 3.27Å; N290-K294 PolarHBondContact OD1-NZ 3.17Å
291L98.3Very high97.4Very high69 Ų6950.6 Ų50.636%0.36126%0.256SS..Iπ-helixtrans-74.4-43.2-172.9-178.959000112.7Y287 P295 V331Y287-L291 HydrophobicContact CE1-CD2 3.9Å; Y287-L291 HydrophobicContact CE2-CD2 4.27Å; Y287-L291 WeakPolarHBondContact O-CB 3.35Å; Y287-L291 PolarHBondContact O-N 3.4Å; Y287-L291 WeakPolarHBondContact OH-CD2 3.21Å; L291-P295 WeakPolarHBondContact O-CG 3.28Å; L291-V331 HydrophobicContact CD1-CG1 4.49Å; L291-V331 WeakPolarHBondContact O-CG2 3.39Å
292F98.7Very high97.4Very high8 Ų856.9 Ų56.94%0.03530%0.295CS..Iπ-helixtrans-111.5-39.8-176.4-65.1-84.5000112.6F281 Y288 P295 I296 Y323 V331 D334 W337F281-F292 HydrophobicContact CE1-CB 4Å; F281-F292 HydrophobicContact CZ-CB 3.79Å; Y288-F292 AromaticContact CD1-CD2 3.47Å; Y288-F292 HydrophobicContact CD1-CD2 3.47Å; Y288-F292 VanDerWaalsContact CD1-CD2 3.47Å; Y288-F292 AromaticContact CD1-CE2 3.79Å; Y288-F292 HydrophobicContact CD1-CE2 3.79Å; Y288-F292 HydrophobicContact CD1-CG 4.41Å; Y288-F292 AromaticContact CE1-CD2 3.81Å; Y288-F292 HydrophobicContact CE1-CD2 3.81Å; Y288-F292 AromaticContact CE1-CE2 3.62Å; Y288-F292 HydrophobicContact CE1-CE2 3.62Å; Y288-F292 HydrophobicContact CG-CD2 4.32Å; Y288-F292 WeakPolarHBondContact O-CA 3.5Å; Y288-F292 WeakPolarHBondContact O-CB 3.42Å; Y288-F292 PolarHBondContact O-N 3.15Å; F292-P295 VanDerWaalsContact O-CD 3.3Å; F292-P295 WeakPolarHBondContact O-CD 3.48Å; F292-I296 HydrophobicContact CB-CD1 4.1Å; F292-I296 VanDerWaalsContact O-CB 3.28Å; F292-I296 WeakPolarHBondContact O-CB 3.28Å; F292-I296 WeakPolarHBondContact O-CD1 3.29Å; F292-I296 WeakPolarHBondContact O-CG1 3.37Å; F292-I296 PolarHBondContact O-N 3.32Å; F292-Y323 HydrophobicContact CD1-CE1 4.41Å; F292-Y323 AromaticContact CD1-CZ 3.92Å; F292-Y323 WeakPolarHBondContact CD1-OH 3.35Å; F292-Y323 VanDerWaalsContact CE1-OH 3.27Å; F292-Y323 WeakPolarHBondContact CE1-OH 3.34Å; F292-V331 HydrophobicContact CD1-CB 3.89Å; F292-V331 HydrophobicContact CD1-CG1 3.67Å; F292-V331 HydrophobicContact CD1-CG2 4.44Å; F292-V331 HydrophobicContact CE1-CB 3.94Å; F292-V331 HydrophobicContact CE1-CG1 3.33Å; F292-V331 HydrophobicContact CZ-CG1 4.01Å; F292-D334 HydrophobicContact CE1-CB 4.27Å; F292-D334 HydrophobicContact CE2-CB 4.46Å; F292-D334 HydrophobicContact CZ-CB 3.78Å; F292-W337 AromaticContact CD1-CH2 3.87Å; F292-W337 HydrophobicContact CD1-CH2 3.87Å; F292-W337 AromaticContact CD1-CZ2 3.71Å; F292-W337 HydrophobicContact CD1-CZ2 3.71Å; F292-W337 HydrophobicContact CD2-CH2 4.12Å; F292-W337 AromaticContact CE1-CH2 3.86Å; F292-W337 HydrophobicContact CE1-CH2 3.86Å; F292-W337 AromaticContact CE1-CZ2 3.5Å; F292-W337 HydrophobicContact CE1-CZ2 3.5Å; F292-W337 VanDerWaalsContact CE1-CZ2 3.5Å; F292-W337 HydrophobicContact CE2-CH2 4.09Å; F292-W337 HydrophobicContact CG-CH2 4.01Å; F292-W337 HydrophobicContact CG-CZ2 4.32Å; F292-W337 AromaticContact CZ-CH2 3.96Å; F292-W337 HydrophobicContact CZ-CH2 3.96Å; F292-W337 AromaticContact CZ-CZ2 3.94Å; F292-W337 HydrophobicContact CZ-CZ2 3.94Å
293G98.6Very high97.5Very high0 Ų057.8 Ų57.80%032%0.315CS..Iπ-helixtrans-61.6-50.2-174.400000113.4Y288 H289 I296 I297 G312Y288-G293 PolarHBondContact O-N 2.84Å; H289-G293 CarbonylContact O-C 3.42Å; H289-G293 WeakPolarHBondContact O-CA 3.49Å; H289-G293 PolarHBondContact O-N 2.57Å; G293-I296 PolarHBondContact O-N 3.13Å; G293-I297 WeakPolarHBondContact O-CB 3.24Å; G293-I297 VanDerWaalsContact O-CG1 3.29Å; G293-I297 WeakPolarHBondContact O-CG1 3.36Å; G293-I297 PolarHBondContact O-N 3.28Å; G293-G312 WeakPolarHBondContact CA-O 3.36Å
294K98.6Very high97.6Very high63 Ų6358 Ų5827%0.27432%0.318SS..Hα-helixtrans-60.3-50.1178.9-56.8174.1174.1-175.90112.5H289 N290 I296 I297 S298 L309 K310H289-K294 PolarHBondContact O-N 3.14Å; N290-K294 WeakPolarHBondContact OD1-CE 3.27Å; N290-K294 PolarHBondContact OD1-NZ 3.17Å; K294-I296 VanDerWaalsContact C-N 3.34Å; K294-I296 PolarHBondContact O-N 2.77Å; K294-I297 PolarHBondContact O-N 3.1Å; K294-S298 WeakPolarHBondContact O-CB 3.3Å; K294-S298 PolarHBondContact O-N 3.28Å; K294-L309 WeakPolarHBondContact CG-O 3.42Å; K294-K310 VanDerWaalsContact CE-C 3.48Å; K294-K310 WeakPolarHBondContact CE-O 3.29Å; K294-K310 PolarHBondContact NZ-O 3.07Å
295P98.6Very high97.9Very high37 Ų3755.7 Ų55.724%0.2431%0.305CS..Hα-helixtrans-66-34.1179.3-23.736.8000113.6L291 F292 K299 P330 V331L291-P295 WeakPolarHBondContact O-CG 3.28Å; F292-P295 VanDerWaalsContact O-CD 3.3Å; F292-P295 WeakPolarHBondContact O-CD 3.48Å; P295-K299 WeakPolarHBondContact O-CB 3.49Å; P295-K299 PolarHBondContact O-N 3.23Å; P295-K299 VanDerWaalsContact O-N 3.11Å; P295-P330 HydrophobicContact CB-CB 3.82Å; P295-P330 HydrophobicContact CB-CG 3.83Å; P295-V331 HydrophobicContact CB-CG2 3.82Å; P295-V331 HydrophobicContact CG-CG2 3.8Å
296I98.8Very high98Very high0 Ų059 Ų590%033%0.334CS..Hα-helixtrans-64.2-52.4175.1-70169.9000110F281 F292 G293 K294 S298 K299 Y300 V315 E319 Y323F281-I296 HydrophobicContact CE1-CD1 4.45Å; F281-I296 HydrophobicContact CZ-CD1 4.03Å; F292-I296 HydrophobicContact CB-CD1 4.1Å; F292-I296 VanDerWaalsContact O-CB 3.28Å; F292-I296 WeakPolarHBondContact O-CB 3.28Å; F292-I296 WeakPolarHBondContact O-CD1 3.29Å; F292-I296 WeakPolarHBondContact O-CG1 3.37Å; F292-I296 PolarHBondContact O-N 3.32Å; G293-I296 PolarHBondContact O-N 3.13Å; K294-I296 VanDerWaalsContact C-N 3.34Å; K294-I296 PolarHBondContact O-N 2.77Å; I296-S298 VanDerWaalsContact C-N 3.34Å; I296-S298 PolarHBondContact O-N 3.25Å; I296-K299 PolarHBondContact O-N 3.36Å; I296-Y300 HydrophobicContact CB-CD2 4.39Å; I296-Y300 HydrophobicContact CG2-CD2 3.95Å; I296-Y300 WeakPolarHBondContact O-CD2 3.41Å; I296-Y300 PolarHBondContact O-N 3.09Å; I296-V315 HydrophobicContact CG2-CG1 3.69Å; I296-V315 HydrophobicContact CG2-CG2 4.42Å; I296-E319 HydrophobicContact CG2-CB 3.83Å; I296-Y323 HydrophobicContact CD1-CD1 3.94Å; I296-Y323 HydrophobicContact CD1-CD2 4.03Å; I296-Y323 HydrophobicContact CD1-CE1 4.4Å; I296-Y323 HydrophobicContact CD1-CE2 4.46Å; I296-Y323 HydrophobicContact CD1-CG 3.74Å; I296-Y323 HydrophobicContact CG1-CD1 4.37Å; I296-Y323 HydrophobicContact CG1-CD2 3.57Å; I296-Y323 HydrophobicContact CG1-CE2 4.18Å; I296-Y323 HydrophobicContact CG1-CG 3.67Å
297I98.8Very high98.1Very high0 Ų058.5 Ų58.50%033%0.328CS..Hα-helixtrans-60.1-46.9179.5-68.8172.6000110.5G293 K294 K299 R301 P304 A308 L309 N313 V315G293-I297 WeakPolarHBondContact O-CB 3.24Å; G293-I297 VanDerWaalsContact O-CG1 3.29Å; G293-I297 WeakPolarHBondContact O-CG1 3.36Å; G293-I297 PolarHBondContact O-N 3.28Å; K294-I297 PolarHBondContact O-N 3.1Å; I297-K299 VanDerWaalsContact C-N 3.27Å; I297-K299 PolarHBondContact O-N 3.13Å; I297-R301 HydrophobicContact CG2-CB 4.11Å; I297-R301 WeakPolarHBondContact O-CB 3.43Å; I297-R301 PolarHBondContact O-N 2.64Å; I297-P304 HydrophobicContact CG2-CB 3.69Å; I297-A308 HydrophobicContact CD1-CB 4.37Å; I297-A308 HydrophobicContact CG2-CB 4.12Å; I297-L309 HydrophobicContact CG2-CD2 4.21Å; I297-N313 VanDerWaalsContact CD1-O 3.24Å; I297-N313 WeakPolarHBondContact CD1-O 3.43Å; I297-V315 HydrophobicContact CD1-CG2 3.99Å; I297-V315 HydrophobicContact CG1-CG2 3.93Å
298S98.5Very high98.1Very high80 Ų8051.9 Ų51.956%0.55930%0.304SS*.Hα-helixtrans-57.6-38.7-179.7-176.70000112.9K294 I296K294-S298 WeakPolarHBondContact O-CB 3.3Å; K294-S298 PolarHBondContact O-N 3.28Å; I296-S298 VanDerWaalsContact C-N 3.34Å; I296-S298 PolarHBondContact O-N 3.25Å
299K98.4Very high98.1Very high96 Ų9654.2 Ų54.242%0.41732%0.317SS..Hα-helixtrans-87.1-39.4-175.6-169.1173.1-174.8-173.30114.1P295 I296 I297 D326 H328 P330P295-K299 WeakPolarHBondContact O-CB 3.49Å; P295-K299 PolarHBondContact O-N 3.23Å; P295-K299 VanDerWaalsContact O-N 3.11Å; I296-K299 PolarHBondContact O-N 3.36Å; I297-K299 VanDerWaalsContact C-N 3.27Å; I297-K299 PolarHBondContact O-N 3.13Å; K299-D326 WeakPolarHBondContact CE-OD2 3.49Å; K299-D326 IonicContact NZ-OD2 2.68Å; K299-D326 PolarHBondContact NZ-OD2 3.02Å; K299-H328 PolarHBondContact NZ-O 3.35Å; K299-P330 HydrophobicContact CD-CB 4.47Å; K299-P330 HydrophobicContact CD-CG 4.17Å
300Y98.3Very high98.1Very high39 Ų3961.1 Ų61.115%0.15335%0.347CS..Hα-helixtrans-108.9-18.2-166.7-54.4-70.4000114.1I296 Q322 Y323 D326 P330I296-Y300 HydrophobicContact CB-CD2 4.39Å; I296-Y300 HydrophobicContact CG2-CD2 3.95Å; I296-Y300 WeakPolarHBondContact O-CD2 3.41Å; I296-Y300 PolarHBondContact O-N 3.09Å; Y300-Q322 HydrophobicContact CD1-CB 3.88Å; Y300-Q322 HydrophobicContact CE1-CB 4.24Å; Y300-Q322 HydrophobicContact CG-CB 4.18Å; Y300-Y323 HydrophobicContact CE2-CD2 4.11Å; Y300-Y323 HydrophobicContact CE2-CG 4.39Å; Y300-D326 HydrophobicContact CE1-CB 4.4Å; Y300-D326 VanDerWaalsContact OH-CB 3.29Å; Y300-D326 WeakPolarHBondContact OH-CB 3.48Å; Y300-D326 PolarHBondContact OH-OD2 3.4Å; Y300-P330 HydrophobicContact CE2-CG 4.47Å; Y300-P330 WeakPolarHBondContact OH-CD 3.47Å
301R98.4Very high98Very high56 Ų5658.8 Ų58.821%0.21134%0.335CS..  trans-81.4131.2178.9-169.5164.2-64172.4-1.2110.8I297 A303 P304 G314 E319I297-R301 HydrophobicContact CG2-CB 4.11Å; I297-R301 WeakPolarHBondContact O-CB 3.43Å; I297-R301 PolarHBondContact O-N 2.64Å; R301-A303 PolarHBondContact O-N 2.88Å; R301-P304 HydrophobicContact CB-CB 4.14Å; R301-P304 HydrophobicContact CG-CB 4.1Å; R301-G314 PolarHBondContact NH2-O 3.45Å; R301-E319 WeakPolarHBondContact CB-OE1 3.12Å; R301-E319 WeakPolarHBondContact CG-OE1 3.4Å; R301-E319 IonicContact CZ-OE1 3.45Å; R301-E319 IonicContact CZ-OE2 2.75Å; R301-E319 IonicContact NE-OE1 2.74Å; R301-E319 PolarHBondContact NE-OE1 3.37Å; R301-E319 IonicContact NE-OE2 2.71Å; R301-E319 IonicContact NH2-OE1 3.26Å; R301-E319 PolarHBondContact NH2-OE1 3.41Å; R301-E319 IonicContact NH2-OE2 3.75Å; R301-E319 PolarHBondContact NH2-OE2 3.5Å
302V97.3Very high98Very high139 Ų13955.5 Ų55.584%0.84232%0.318SS*.SBendtrans-76.8123.9168.2-177.20000108.5
303A96.8Very high97.9Very high94 Ų9458.7 Ų58.778%0.77734%0.336SS*.SBendtrans50.862.417900000114.4R301R301-A303 PolarHBondContact O-N 2.88Å
304P97.4Very high97.8Very high38 Ų3861 Ų6125%0.24736%0.359CS..  trans-66.514017929.6-35000111.6I297 R301 L309I297-P304 HydrophobicContact CG2-CB 3.69Å; R301-P304 HydrophobicContact CB-CB 4.14Å; R301-P304 HydrophobicContact CG-CB 4.1Å; P304-L309 HydrophobicContact CB-CD1 4.42Å; P304-L309 HydrophobicContact CB-CD2 3.99Å; P304-L309 HydrophobicContact CB-CG 3.96Å; P304-L309 HydrophobicContact CG-CD1 3.98Å; P304-L309 HydrophobicContact CG-CD2 3.79Å; P304-L309 HydrophobicContact CG-CG 3.95Å
305S97.9Very high97.8Very high70 Ų7058.1 Ų58.149%0.4935%0.347SS..  trans-66.1152.4172.770.50000111.2E307 A308 L309S305-E307 PolarHBondContact O-N 3.11Å; S305-A308 PolarHBondContact O-N 3.01Å; S305-A308 VanDerWaalsContact O-N 3.1Å; S305-A308 WeakPolarHBondContact OG-CB 3.25Å; S305-A308 PolarHBondContact OG-N 3.12Å; S305-L309 PolarHBondContact O-N 3.11Å; S305-L309 VanDerWaalsContact O-N 3.08Å
306A97.9Very high97.8Very high82 Ų8259 Ų5968%0.67835%0.352SS*.Hα-helixtrans-55.5-37.417600000111.9L309 K310A306-L309 PolarHBondContact O-N 3.06Å; A306-K310 VanDerWaalsContact O-CB 3.26Å; A306-K310 WeakPolarHBondContact O-CB 3.41Å; A306-K310 PolarHBondContact O-N 2.63Å
307E97.5Very high97.8Very high109 Ų10959.1 Ų59.151%0.50935%0.352SS..Hα-helixtrans-67.1-41.2177.7-177.159-166.500112.5S305 L309 K310 T311S305-E307 PolarHBondContact O-N 3.11Å; E307-L309 VanDerWaalsContact C-N 3.34Å; E307-L309 PolarHBondContact O-N 3.47Å; E307-K310 PolarHBondContact O-N 3.11Å; E307-T311 HydrophobicContact CG-CG2 4.47Å; E307-T311 WeakPolarHBondContact O-CB 3.42Å; E307-T311 PolarHBondContact O-N 3.26Å; E307-T311 PolarHBondContact O-OG1 3.17Å; E307-T311 WeakPolarHBondContact OE1-CG2 3.3Å
308A97.1Very high97.8Very high8 Ų863.5 Ų63.57%0.06637%0.372CS..Hα-helixtrans-64.2-39.3176.600000111.7I297 S305 G312I297-A308 HydrophobicContact CD1-CB 4.37Å; I297-A308 HydrophobicContact CG2-CB 4.12Å; S305-A308 PolarHBondContact O-N 3.01Å; S305-A308 VanDerWaalsContact O-N 3.1Å; S305-A308 WeakPolarHBondContact OG-CB 3.25Å; S305-A308 PolarHBondContact OG-N 3.12Å; A308-G312 VanDerWaalsContact O-CA 3.32Å; A308-G312 WeakPolarHBondContact O-CA 3.47Å; A308-G312 PolarHBondContact O-N 2.64Å
309L97.8Very high97.8Very high67 Ų6760.4 Ų60.435%0.35135%0.348SS..Hα-helixtrans-68-36.4174.1-68.3174.1000112.4K294 I297 P304 S305 A306 E307K294-L309 WeakPolarHBondContact CG-O 3.42Å; I297-L309 HydrophobicContact CG2-CD2 4.21Å; P304-L309 HydrophobicContact CB-CD1 4.42Å; P304-L309 HydrophobicContact CB-CD2 3.99Å; P304-L309 HydrophobicContact CB-CG 3.96Å; P304-L309 HydrophobicContact CG-CD1 3.98Å; P304-L309 HydrophobicContact CG-CD2 3.79Å; P304-L309 HydrophobicContact CG-CG 3.95Å; S305-L309 PolarHBondContact O-N 3.11Å; S305-L309 VanDerWaalsContact O-N 3.08Å; A306-L309 PolarHBondContact O-N 3.06Å; E307-L309 VanDerWaalsContact C-N 3.34Å; E307-L309 PolarHBondContact O-N 3.47Å
310K97.7Very high97.8Very high149 Ų14955.8 Ų55.865%0.64833%0.328SS*.Hα-helixtrans-72.9-35-179.5-176.7-177.3175.3-169.90113K294 A306 E307K294-K310 VanDerWaalsContact CE-C 3.48Å; K294-K310 WeakPolarHBondContact CE-O 3.29Å; K294-K310 PolarHBondContact NZ-O 3.07Å; A306-K310 VanDerWaalsContact O-CB 3.26Å; A306-K310 WeakPolarHBondContact O-CB 3.41Å; A306-K310 PolarHBondContact O-N 2.63Å; E307-K310 PolarHBondContact O-N 3.11Å
311T97.4Very high97.8Very high30 Ų3054 Ų5418%0.18432%0.321CS..Hα-helixtrans-101.6-33.5-175.557.50000113.4E307 N313E307-T311 HydrophobicContact CG-CG2 4.47Å; E307-T311 WeakPolarHBondContact O-CB 3.42Å; E307-T311 PolarHBondContact O-N 3.26Å; E307-T311 PolarHBondContact O-OG1 3.17Å; E307-T311 WeakPolarHBondContact OE1-CG2 3.3Å; T311-N313 WeakPolarHBondContact OG1-CB 3.43Å; T311-N313 PolarHBondContact OG1-N 3.01Å
312G97.6Very high97.8Very high0 Ų053.9 Ų53.90%032%0.323CS..  trans75.99.3-167.800000113.5G293 A308G293-G312 WeakPolarHBondContact CA-O 3.36Å; A308-G312 VanDerWaalsContact O-CA 3.32Å; A308-G312 WeakPolarHBondContact O-CA 3.47Å; A308-G312 PolarHBondContact O-N 2.64Å
313N96.7Very high97.9Very high75 Ų7547.2 Ų47.240%0.40128%0.283SS..  trans-75.8150.9-178.8-69.6-18.3000112H289 I297 T311H289-N313 PolarHBondContact CE1-OD1 3.25Å; H289-N313 PolarHBondContact ND1-OD1 3.07Å; I297-N313 VanDerWaalsContact CD1-O 3.24Å; I297-N313 WeakPolarHBondContact CD1-O 3.43Å; T311-N313 WeakPolarHBondContact OG1-CB 3.43Å; T311-N313 PolarHBondContact OG1-N 3.01Å
314G96.9Very high98Very high48 Ų4842.8 Ų42.850%0.49525%0.246SC..  trans75.628.7170.800000114R301 T316R301-G314 PolarHBondContact NH2-O 3.45Å; G314-T316 PolarHBondContact O-N 3Å
315V98.5Very high98Very high3 Ų342 Ų422%0.01824%0.239CC..  trans-53.5123.3166.7176.40000108.8Y277 F281 I296 I297 E319 F320Y277-V315 HydrophobicContact CE2-CG1 4.4Å; Y277-V315 WeakPolarHBondContact CE2-O 3.2Å; Y277-V315 PolarHBondContact OH-O 3.24Å; F281-V315 HydrophobicContact CB-CB 4.31Å; F281-V315 HydrophobicContact CD1-CB 3.88Å; F281-V315 HydrophobicContact CD1-CG1 4.36Å; F281-V315 HydrophobicContact CD1-CG2 3.75Å; F281-V315 HydrophobicContact CE1-CB 4.46Å; F281-V315 HydrophobicContact CE1-CG2 4.04Å; F281-V315 HydrophobicContact CG-CB 4.15Å; F281-V315 HydrophobicContact CG-CG1 4.44Å; I296-V315 HydrophobicContact CG2-CG1 3.69Å; I296-V315 HydrophobicContact CG2-CG2 4.42Å; I297-V315 HydrophobicContact CD1-CG2 3.99Å; I297-V315 HydrophobicContact CG1-CG2 3.93Å; V315-E319 HydrophobicContact CG1-CB 4.39Å; V315-F320 HydrophobicContact CG1-CB 4.23Å
316T98.5Very high98Very high57 Ų5740 Ų4035%0.3522%0.224SC..  trans-78.3156.5176.166.40000110.7G314 K318 E319 F320G314-T316 PolarHBondContact O-N 3Å; T316-K318 PolarHBondContact O-N 2.99Å; T316-E319 WeakPolarHBondContact CB-OE2 3.3Å; T316-E319 PolarHBondContact N-OE2 3.03Å; T316-E319 PolarHBondContact O-N 3.24Å; T316-E319 WeakPolarHBondContact OG1-CB 3.4Å; T316-E319 WeakPolarHBondContact OG1-CG 3.48Å; T316-E319 PolarHBondContact OG1-N 2.88Å; T316-E319 PolarHBondContact OG1-OE2 3.38Å; T316-F320 PolarHBondContact O-N 3.46Å
317F98.7Very high97.9Very high1 Ų138.4 Ų38.40%0.00422%0.215CC..Hα-helixtrans-60.9-36.8176.6-177.2-107.2000112.1V274 Y277 F320 V321 Y400 F401 V404V274-F317 HydrophobicContact CG2-CE2 3.83Å; V274-F317 HydrophobicContact CG2-CZ 3.8Å; Y277-F317 HydrophobicContact CD1-CB 4.34Å; Y277-F317 AromaticContact CD1-CD2 3.69Å; Y277-F317 HydrophobicContact CD1-CD2 3.69Å; Y277-F317 HydrophobicContact CD1-CG 4.48Å; Y277-F317 HydrophobicContact CD2-CD2 4.11Å; Y277-F317 HydrophobicContact CE1-CB 3.95Å; Y277-F317 HydrophobicContact CE1-CD2 4.17Å; Y277-F317 HydrophobicContact CE2-CB 4.32Å; Y277-F317 AromaticContact CG-CD2 3.66Å; Y277-F317 HydrophobicContact CG-CD2 3.66Å; Y277-F317 HydrophobicContact CG-CE2 4.37Å; Y277-F317 PolarHBondContact OH-N 3.44Å; Y277-F317 VanDerWaalsContact OH-N 3.14Å; F317-F320 HydrophobicContact CD2-CD1 4.23Å; F317-F320 HydrophobicContact CE2-CD1 4.17Å; F317-F320 WeakPolarHBondContact O-CB 3.31Å; F317-F320 PolarHBondContact O-N 3.38Å; F317-V321 HydrophobicContact CD1-CG2 4.07Å; F317-V321 HydrophobicContact CE1-CG2 3.59Å; F317-V321 HydrophobicContact CE2-CG2 4.15Å; F317-V321 HydrophobicContact CZ-CG2 3.65Å; F317-V321 WeakPolarHBondContact O-CG2 3.45Å; F317-V321 PolarHBondContact O-N 3.18Å; F317-Y400 HydrophobicContact CB-CD1 3.67Å; F317-Y400 HydrophobicContact CB-CE1 4.37Å; F317-Y400 HydrophobicContact CD1-CD1 4.17Å; F317-Y400 HydrophobicContact CD1-CG 4.38Å; F317-Y400 VanDerWaalsContact CD1-O 3.25Å; F317-Y400 WeakPolarHBondContact CD1-O 3.39Å; F317-Y400 AromaticContact CD2-CD1 3.92Å; F317-Y400 HydrophobicContact CD2-CD1 3.92Å; F317-Y400 HydrophobicContact CD2-CG 4.32Å; F317-Y400 WeakPolarHBondContact CE1-O 3.33Å; F317-Y400 AromaticContact CG-CD1 3.64Å; F317-Y400 HydrophobicContact CG-CD1 3.64Å; F317-Y400 HydrophobicContact CG-CG 4.19Å; F317-F401 HydrophobicContact CE1-CD1 4.19Å; F317-F401 HydrophobicContact CE1-CD2 4.26Å; F317-F401 HydrophobicContact CE1-CE1 4.19Å; F317-F401 HydrophobicContact CE1-CE2 4.26Å; F317-F401 HydrophobicContact CE1-CG 4.22Å; F317-F401 HydrophobicContact CE1-CZ 4.21Å; F317-F401 HydrophobicContact CZ-CD1 4.48Å; F317-F401 HydrophobicContact CZ-CD2 4.14Å; F317-F401 HydrophobicContact CZ-CE1 4.1Å; F317-F401 AromaticContact CZ-CE2 3.73Å; F317-F401 HydrophobicContact CZ-CE2 3.73Å; F317-F401 HydrophobicContact CZ-CG 4.49Å; F317-F401 AromaticContact CZ-CZ 3.69Å; F317-F401 HydrophobicContact CZ-CZ 3.69Å; F317-V404 HydrophobicContact CD1-CG1 4.16Å; F317-V404 HydrophobicContact CE1-CG1 4.3Å
318K98.4Very high97.9Very high93 Ų9340.1 Ų40.140%0.40422%0.222SC..Hα-helixtrans-60.8-47.8175.8-176.2174.5-178.41790112.2T316 F320 V321 Q322 V404T316-K318 PolarHBondContact O-N 2.99Å; K318-F320 VanDerWaalsContact C-N 3.29Å; K318-F320 PolarHBondContact O-N 3.39Å; K318-V321 PolarHBondContact O-N 2.81Å; K318-Q322 WeakPolarHBondContact O-CG 3.44Å; K318-Q322 PolarHBondContact O-N 3.14Å; K318-V404 HydrophobicContact CB-CG1 4.15Å; K318-V404 HydrophobicContact CG-CG1 4.23Å
319E98.7Very high97.9Very high14 Ų1442.2 Ų42.27%0.06523%0.229CC..Hα-helixtrans-62-38.1176-69.7159.6156.500111.6I296 R301 V315 T316 Q322 Y323I296-E319 HydrophobicContact CG2-CB 3.83Å; R301-E319 WeakPolarHBondContact CB-OE1 3.12Å; R301-E319 WeakPolarHBondContact CG-OE1 3.4Å; R301-E319 IonicContact CZ-OE1 3.45Å; R301-E319 IonicContact CZ-OE2 2.75Å; R301-E319 IonicContact NE-OE1 2.74Å; R301-E319 PolarHBondContact NE-OE1 3.37Å; R301-E319 IonicContact NE-OE2 2.71Å; R301-E319 IonicContact NH2-OE1 3.26Å; R301-E319 PolarHBondContact NH2-OE1 3.41Å; R301-E319 IonicContact NH2-OE2 3.75Å; R301-E319 PolarHBondContact NH2-OE2 3.5Å; V315-E319 HydrophobicContact CG1-CB 4.39Å; T316-E319 WeakPolarHBondContact CB-OE2 3.3Å; T316-E319 PolarHBondContact N-OE2 3.03Å; T316-E319 PolarHBondContact O-N 3.24Å; T316-E319 WeakPolarHBondContact OG1-CB 3.4Å; T316-E319 WeakPolarHBondContact OG1-CG 3.48Å; T316-E319 PolarHBondContact OG1-N 2.88Å; T316-E319 PolarHBondContact OG1-OE2 3.38Å; E319-Q322 PolarHBondContact O-N 2.82Å; E319-Y323 WeakPolarHBondContact O-CB 3.39Å; E319-Y323 PolarHBondContact O-N 2.92Å
320F98.8Very high97.9Very high0 Ų041.9 Ų41.90%023%0.23CC..Hα-helixtrans-64.3-40.8174.5173.2-108.3000112.8V273 Y277 F281 V315 T316 F317 K318 Y323 L324 W337V273-F320 HydrophobicContact CG1-CE1 3.72Å; V273-F320 HydrophobicContact CG1-CZ 4.45Å; Y277-F320 HydrophobicContact CD2-CB 3.73Å; Y277-F320 AromaticContact CD2-CD1 3.87Å; Y277-F320 HydrophobicContact CD2-CD1 3.87Å; Y277-F320 AromaticContact CD2-CG 3.78Å; Y277-F320 HydrophobicContact CD2-CG 3.78Å; Y277-F320 HydrophobicContact CE2-CB 4.08Å; Y277-F320 HydrophobicContact CG-CD1 4.21Å; F281-F320 HydrophobicContact CD2-CD2 4.36Å; F281-F320 AromaticContact CE2-CD2 3.71Å; F281-F320 HydrophobicContact CE2-CD2 3.71Å; F281-F320 AromaticContact CE2-CE2 3.95Å; F281-F320 HydrophobicContact CE2-CE2 3.95Å; F281-F320 HydrophobicContact CZ-CD2 4.44Å; V315-F320 HydrophobicContact CG1-CB 4.23Å; T316-F320 PolarHBondContact O-N 3.46Å; F317-F320 HydrophobicContact CD2-CD1 4.23Å; F317-F320 HydrophobicContact CE2-CD1 4.17Å; F317-F320 WeakPolarHBondContact O-CB 3.31Å; F317-F320 PolarHBondContact O-N 3.38Å; K318-F320 VanDerWaalsContact C-N 3.29Å; K318-F320 PolarHBondContact O-N 3.39Å; F320-Y323 HydrophobicContact CD2-CD1 4.36Å; F320-Y323 HydrophobicContact CE2-CD1 4.47Å; F320-Y323 WeakPolarHBondContact O-CB 3.43Å; F320-Y323 PolarHBondContact O-N 3.2Å; F320-L324 WeakPolarHBondContact O-CB 3.08Å; F320-L324 PolarHBondContact O-N 3.21Å; F320-W337 AromaticContact CE2-CD2 3.95Å; F320-W337 HydrophobicContact CE2-CD2 3.95Å; F320-W337 AromaticContact CE2-CE3 3.94Å; F320-W337 HydrophobicContact CE2-CE3 3.94Å; F320-W337 HydrophobicContact CE2-CG 4.41Å; F320-W337 HydrophobicContact CE2-CZ3 4.24Å; F320-W337 HydrophobicContact CZ-CB 4.19Å; F320-W337 HydrophobicContact CZ-CD2 4.01Å; F320-W337 HydrophobicContact CZ-CE3 4.02Å; F320-W337 HydrophobicContact CZ-CG 4.11Å
321V98.8Very high97.8Very high1 Ų136 Ų361%0.00621%0.207CC..Hα-helixtrans-66.2-40.8174.7170.20000111.1F317 K318 Y323 L324 L325 V404 E408F317-V321 HydrophobicContact CD1-CG2 4.07Å; F317-V321 HydrophobicContact CE1-CG2 3.59Å; F317-V321 HydrophobicContact CE2-CG2 4.15Å; F317-V321 HydrophobicContact CZ-CG2 3.65Å; F317-V321 WeakPolarHBondContact O-CG2 3.45Å; F317-V321 PolarHBondContact O-N 3.18Å; K318-V321 PolarHBondContact O-N 2.81Å; V321-Y323 VanDerWaalsContact C-N 3.33Å; V321-Y323 PolarHBondContact O-N 3Å; V321-L324 WeakPolarHBondContact O-CB 3.4Å; V321-L324 PolarHBondContact O-N 3.34Å; V321-L325 HydrophobicContact CG1-CD1 3.72Å; V321-L325 HydrophobicContact CG1-CG 4.27Å; V321-L325 WeakPolarHBondContact O-CB 3.37Å; V321-L325 VanDerWaalsContact O-CG 3.29Å; V321-L325 WeakPolarHBondContact O-CG 3.33Å; V321-L325 PolarHBondContact O-N 3.37Å; V321-V404 HydrophobicContact CB-CG1 4.19Å; V321-V404 HydrophobicContact CG1-CG1 4.38Å; V321-V404 HydrophobicContact CG2-CG1 4.15Å; V321-E408 HydrophobicContact CG1-CB 4.19Å
322Q98.4Very high97.8Very high53 Ų5337 Ų3725%0.24822%0.223CC..Hα-helixtrans-59.4-45.8174.5-71.6172.6-22.300111.2Y300 K318 E319 L324 L325 D326 E408Y300-Q322 HydrophobicContact CD1-CB 3.88Å; Y300-Q322 HydrophobicContact CE1-CB 4.24Å; Y300-Q322 HydrophobicContact CG-CB 4.18Å; K318-Q322 WeakPolarHBondContact O-CG 3.44Å; K318-Q322 PolarHBondContact O-N 3.14Å; E319-Q322 PolarHBondContact O-N 2.82Å; Q322-L324 PolarHBondContact O-N 2.83Å; Q322-L325 PolarHBondContact O-N 3.2Å; Q322-D326 WeakPolarHBondContact O-CB 3.45Å; Q322-D326 PolarHBondContact O-N 3.26Å; Q322-E408 WeakPolarHBondContact CG-OE1 3.47Å; Q322-E408 PolarHBondContact NE2-OE1 3.08Å
323Y98.7Very high97.7Very high0 Ų039.5 Ų39.50%024%0.235CC..Hα-helixtrans-57.1-47.5172.3167.8-96.7000113.3F292 I296 Y300 E319 F320 V321 L325 D326 R329 P330 V331 G332 W337F292-Y323 HydrophobicContact CD1-CE1 4.41Å; F292-Y323 AromaticContact CD1-CZ 3.92Å; F292-Y323 WeakPolarHBondContact CD1-OH 3.35Å; F292-Y323 VanDerWaalsContact CE1-OH 3.27Å; F292-Y323 WeakPolarHBondContact CE1-OH 3.34Å; I296-Y323 HydrophobicContact CD1-CD1 3.94Å; I296-Y323 HydrophobicContact CD1-CD2 4.03Å; I296-Y323 HydrophobicContact CD1-CE1 4.4Å; I296-Y323 HydrophobicContact CD1-CE2 4.46Å; I296-Y323 HydrophobicContact CD1-CG 3.74Å; I296-Y323 HydrophobicContact CG1-CD1 4.37Å; I296-Y323 HydrophobicContact CG1-CD2 3.57Å; I296-Y323 HydrophobicContact CG1-CE2 4.18Å; I296-Y323 HydrophobicContact CG1-CG 3.67Å; Y300-Y323 HydrophobicContact CE2-CD2 4.11Å; Y300-Y323 HydrophobicContact CE2-CG 4.39Å; E319-Y323 WeakPolarHBondContact O-CB 3.39Å; E319-Y323 PolarHBondContact O-N 2.92Å; F320-Y323 HydrophobicContact CD2-CD1 4.36Å; F320-Y323 HydrophobicContact CE2-CD1 4.47Å; F320-Y323 WeakPolarHBondContact O-CB 3.43Å; F320-Y323 PolarHBondContact O-N 3.2Å; V321-Y323 VanDerWaalsContact C-N 3.33Å; V321-Y323 PolarHBondContact O-N 3Å; Y323-L325 VanDerWaalsContact C-N 3.29Å; Y323-L325 PolarHBondContact O-N 2.93Å; Y323-D326 PolarHBondContact O-N 3.38Å; Y323-R329 HydrophobicContact CD2-CB 3.95Å; Y323-R329 HydrophobicContact CE2-CB 3.8Å; Y323-R329 HydrophobicContact CE2-CG 4.48Å; Y323-R329 PolarHBondContact O-NE 3.4Å; Y323-P330 HydrophobicContact CD2-CG 4.17Å; Y323-P330 HydrophobicContact CE2-CG 4.23Å; Y323-V331 HydrophobicContact CE2-CB 4.09Å; Y323-V331 VanDerWaalsContact OH-C 3.31Å; Y323-V331 WeakPolarHBondContact OH-CB 3.3Å; Y323-V331 PolarHBondContact OH-O 2.79Å; Y323-G332 PolarHBondContact OH-O 2.75Å; Y323-W337 AromaticContact CE1-CE2 3.98Å; Y323-W337 AromaticContact CE1-CZ2 3.8Å; Y323-W337 HydrophobicContact CE1-CZ2 3.8Å; Y323-W337 AromaticContact CE1-NE1 3.81Å
324L98.4Very high97.8Very high1 Ų136.9 Ų36.91%0.00522%0.221CC..Hα-helixtrans-59.4-42.3-179.3179.163.7000111.7V273 F320 V321 Q322 R329 M333 W337 F415 Y416V273-L324 HydrophobicContact CG1-CD2 4.17Å; F320-L324 WeakPolarHBondContact O-CB 3.08Å; F320-L324 PolarHBondContact O-N 3.21Å; V321-L324 WeakPolarHBondContact O-CB 3.4Å; V321-L324 PolarHBondContact O-N 3.34Å; Q322-L324 PolarHBondContact O-N 2.83Å; L324-R329 PolarHBondContact O-NH2 3.39Å; L324-M333 HydrophobicContact CD1-CE 4.13Å; L324-M333 HydrophobicContact CD1-SD 4.35Å; L324-W337 HydrophobicContact CD1-CB 4.37Å; L324-W337 HydrophobicContact CD1-CG 4.29Å; L324-F415 HydrophobicContact CD1-CD1 4.39Å; L324-F415 HydrophobicContact CD1-CE1 3.72Å; L324-F415 HydrophobicContact CD1-CZ 3.91Å; L324-F415 HydrophobicContact CG-CD1 4.5Å; L324-F415 HydrophobicContact CG-CE1 4.27Å; L324-Y416 HydrophobicContact CD2-CE2 4Å
325L98.1Very high97.8Very high20 Ų2036.9 Ų36.911%0.10521%0.209CC..Hα-helixtrans-85.8-9.6-175.6-63178.9000114.3V321 Q322 Y323 E408 R411 F415V321-L325 HydrophobicContact CG1-CD1 3.72Å; V321-L325 HydrophobicContact CG1-CG 4.27Å; V321-L325 WeakPolarHBondContact O-CB 3.37Å; V321-L325 VanDerWaalsContact O-CG 3.29Å; V321-L325 WeakPolarHBondContact O-CG 3.33Å; V321-L325 PolarHBondContact O-N 3.37Å; Q322-L325 PolarHBondContact O-N 3.2Å; Y323-L325 VanDerWaalsContact C-N 3.29Å; Y323-L325 PolarHBondContact O-N 2.93Å; L325-E408 HydrophobicContact CD1-CB 4.41Å; L325-R411 HydrophobicContact CD1-CB 3.7Å; L325-R411 HydrophobicContact CD2-CB 4.02Å; L325-R411 WeakPolarHBondContact CD2-O 3.29Å; L325-R411 HydrophobicContact CG-CB 4.46Å; L325-R411 PolarHBondContact O-NH2 2.9Å; L325-F415 HydrophobicContact CD2-CB 4.12Å; L325-F415 HydrophobicContact CD2-CG 4.49Å
326D97.9Very high97.8Very high30 Ų3038.2 Ų38.216%0.1622%0.215CC..  trans-77.3124.2178.5-172.7-2.7000110.9K299 Y300 Q322 Y323 H328 R329K299-D326 WeakPolarHBondContact CE-OD2 3.49Å; K299-D326 IonicContact NZ-OD2 2.68Å; K299-D326 PolarHBondContact NZ-OD2 3.02Å; Y300-D326 HydrophobicContact CE1-CB 4.4Å; Y300-D326 VanDerWaalsContact OH-CB 3.29Å; Y300-D326 WeakPolarHBondContact OH-CB 3.48Å; Y300-D326 PolarHBondContact OH-OD2 3.4Å; Q322-D326 WeakPolarHBondContact O-CB 3.45Å; Q322-D326 PolarHBondContact O-N 3.26Å; Y323-D326 PolarHBondContact O-N 3.38Å; D326-H328 VanDerWaalsContact C-N 3.29Å; D326-H328 WeakPolarHBondContact OD1-CA 3.4Å; D326-H328 PolarHBondContact OD1-N 3.11Å; D326-R329 HydrophobicContact CB-CB 4.2Å; D326-R329 PolarHBondContact O-NE 2.91Å; D326-R329 PolarHBondContact O-NH2 2.86Å
327G95.8Very high97.8Very high47 Ų4735.5 Ų35.549%0.48520%0.199SC..THydrogen-bonded Turntrans-72.4-23.2174.800000113.2
328H96.8Very high97.7Very high145 Ų14537.1 Ų37.167%0.67121%0.206SC*.THydrogen-bonded Turntrans-110.933.4177.2-54.6100.2000110.9K299 D326K299-H328 PolarHBondContact NZ-O 3.35Å; D326-H328 VanDerWaalsContact C-N 3.29Å; D326-H328 WeakPolarHBondContact OD1-CA 3.4Å; D326-H328 PolarHBondContact OD1-N 3.11Å
329R97.6Very high97.7Very high53 Ų5333.2 Ų33.220%0.219%0.189CC..  trans-50.5140.2177.955.2-17973.7111.115.4111.1Y323 L324 D326 V331 M333Y323-R329 HydrophobicContact CD2-CB 3.95Å; Y323-R329 HydrophobicContact CE2-CB 3.8Å; Y323-R329 HydrophobicContact CE2-CG 4.48Å; Y323-R329 PolarHBondContact O-NE 3.4Å; L324-R329 PolarHBondContact O-NH2 3.39Å; D326-R329 HydrophobicContact CB-CB 4.2Å; D326-R329 PolarHBondContact O-NE 2.91Å; D326-R329 PolarHBondContact O-NH2 2.86Å; R329-V331 WeakPolarHBondContact CD-O 3.48Å; R329-V331 WeakPolarHBondContact CG-O 3.18Å; R329-V331 PolarHBondContact O-N 3.49Å; R329-M333 PolarHBondContact NH1-SD 3.24Å
330P96.7Very high97.7Very high59 Ų5932.5 Ų32.538%0.38319%0.186SC..SBendtrans-67.8-18.2-173.927.9-36.3000113.3P295 K299 Y300 Y323P295-P330 HydrophobicContact CB-CB 3.82Å; P295-P330 HydrophobicContact CB-CG 3.83Å; K299-P330 HydrophobicContact CD-CB 4.47Å; K299-P330 HydrophobicContact CD-CG 4.17Å; Y300-P330 HydrophobicContact CE2-CG 4.47Å; Y300-P330 WeakPolarHBondContact OH-CD 3.47Å; Y323-P330 HydrophobicContact CD2-CG 4.17Å; Y323-P330 HydrophobicContact CE2-CG 4.23Å
331V97.1Very high97.6Very high27 Ų2733.4 Ų33.416%0.16419%0.191CC..SBendtrans-133.7146.5178-170.30000108.2L291 F292 P295 Y323 R329L291-V331 HydrophobicContact CD1-CG1 4.49Å; L291-V331 WeakPolarHBondContact O-CG2 3.39Å; F292-V331 HydrophobicContact CD1-CB 3.89Å; F292-V331 HydrophobicContact CD1-CG1 3.67Å; F292-V331 HydrophobicContact CD1-CG2 4.44Å; F292-V331 HydrophobicContact CE1-CB 3.94Å; F292-V331 HydrophobicContact CE1-CG1 3.33Å; F292-V331 HydrophobicContact CZ-CG1 4.01Å; P295-V331 HydrophobicContact CB-CG2 3.82Å; P295-V331 HydrophobicContact CG-CG2 3.8Å; Y323-V331 HydrophobicContact CE2-CB 4.09Å; Y323-V331 VanDerWaalsContact OH-C 3.31Å; Y323-V331 WeakPolarHBondContact OH-CB 3.3Å; Y323-V331 PolarHBondContact OH-O 2.79Å; R329-V331 WeakPolarHBondContact CD-O 3.48Å; R329-V331 WeakPolarHBondContact CG-O 3.18Å; R329-V331 PolarHBondContact O-N 3.49Å
332G95.9Very high97.5Very high50 Ų5038 Ų3852%0.51521%0.211SC..  trans-63.9176.8-179.100000114.3Y323Y323-G332 PolarHBondContact OH-O 2.75Å
333M96.1Very high97.5Very high52 Ų5235.7 Ų35.726%0.25620%0.2SC..  trans-66.4137.2174.8-75.6-60.9-72.400111.9L324 R329 W337 E338 F415L324-M333 HydrophobicContact CD1-CE 4.13Å; L324-M333 HydrophobicContact CD1-SD 4.35Å; R329-M333 PolarHBondContact NH1-SD 3.24Å; M333-W337 VanDerWaalsContact CE-CD1 3.43Å; M333-W337 HydrophobicContact CE-CG 4.47Å; M333-W337 VanDerWaalsContact CE-O 3.31Å; M333-W337 WeakPolarHBondContact CE-O 3.49Å; M333-E338 HydrophobicContact CE-CB 4.36Å; M333-F415 HydrophobicContact CE-CE1 4.09Å; M333-F415 HydrophobicContact CE-CZ 3.73Å; M333-F415 HydrophobicContact SD-CZ 4.16Å
334D98Very high97.4Very high20 Ų2035.7 Ų35.711%0.10720%0.2CC..  trans-100.5148169.6-175.5-75.7000109.6Y288 F292 H336 W337 E338Y288-D334 WeakPolarHBondContact CE1-OD2 3.38Å; Y288-D334 PolarHBondContact OH-OD1 2.71Å; Y288-D334 PolarHBondContact OH-OD2 2.72Å; F292-D334 HydrophobicContact CE1-CB 4.27Å; F292-D334 HydrophobicContact CE2-CB 4.46Å; F292-D334 HydrophobicContact CZ-CB 3.78Å; D334-H336 PolarHBondContact O-N 3.18Å; D334-H336 VanDerWaalsContact O-N 3.13Å; D334-H336 VanDerWaalsContact OD1-CB 3.3Å; D334-H336 WeakPolarHBondContact OD1-CB 3.42Å; D334-H336 IonicContact OD1-CE1 3.59Å; D334-H336 IonicContact OD1-CG 3.13Å; D334-H336 VanDerWaalsContact OD1-CG 3.31Å; D334-H336 PolarHBondContact OD1-N 3.5Å; D334-H336 IonicContact OD1-ND1 2.81Å; D334-H336 PolarHBondContact OD1-ND1 3.43Å; D334-H336 IonicContact OD2-ND1 3.6Å; D334-W337 HydrophobicContact CB-CD2 3.85Å; D334-W337 VanDerWaalsContact CB-CE2 3.4Å; D334-W337 HydrophobicContact CB-CE3 4.04Å; D334-W337 HydrophobicContact CB-CH2 3.41Å; D334-W337 VanDerWaalsContact CB-CH2 3.41Å; D334-W337 HydrophobicContact CB-CZ2 3.19Å; D334-W337 HydrophobicContact CB-CZ3 3.84Å; D334-W337 PolarHBondContact O-N 3.13Å; D334-W337 VanDerWaalsContact O-N 3.17Å; D334-E338 PolarHBondContact O-N 3.13Å
335I97.6Very high97.3Very high48 Ų4837.7 Ų37.725%0.24621%0.209CC..THydrogen-bonded Turntrans-56.4-29.8-18066.2171.6000113.2Y192 P207 W337 L343Y192-I335 HydrophobicContact CE1-CG2 3.68Å; Y192-I335 WeakPolarHBondContact OH-CG2 3.39Å; P207-I335 HydrophobicContact CG-CB 4.28Å; P207-I335 HydrophobicContact CG-CD1 3.99Å; P207-I335 HydrophobicContact CG-CG1 3.98Å; I335-W337 PolarHBondContact O-N 2.87Å; I335-L343 HydrophobicContact CB-CD2 4.29Å; I335-L343 HydrophobicContact CG2-CD2 4.46Å
336H98.1Very high97.2Very high31 Ų3137.3 Ų37.314%0.14421%0.208CC..THydrogen-bonded Turntrans-70.9-20.3-176.1-61.887.8000112.7P207 R272 A276 K280 Y288 D334P207-H336 HydrophobicContact CB-CB 4.44Å; R272-H336 VanDerWaalsContact CZ-O 3.26Å; R272-H336 PolarHBondContact NH1-O 3.45Å; R272-H336 VanDerWaalsContact NH1-O 3.09Å; R272-H336 PolarHBondContact NH2-O 3.35Å; R272-H336 VanDerWaalsContact NH2-O 3.11Å; A276-H336 HydrophobicContact CB-CB 4Å; A276-H336 WeakPolarHBondContact CB-O 3.35Å; K280-H336 VanDerWaalsContact CE-CE1 3.49Å; K280-H336 WeakPolarHBondContact CE-CE1 3.32Å; K280-H336 WeakPolarHBondContact CE-NE2 3.33Å; K280-H336 PolarHBondContact NZ-NE2 3.3Å; K280-H336 VanDerWaalsContact NZ-NE2 3.11Å; Y288-H336 PolarHBondContact OH-CE1 3.34Å; Y288-H336 PolarHBondContact OH-ND1 2.68Å; D334-H336 PolarHBondContact O-N 3.18Å; D334-H336 VanDerWaalsContact O-N 3.13Å; D334-H336 VanDerWaalsContact OD1-CB 3.3Å; D334-H336 WeakPolarHBondContact OD1-CB 3.42Å; D334-H336 IonicContact OD1-CE1 3.59Å; D334-H336 IonicContact OD1-CG 3.13Å; D334-H336 VanDerWaalsContact OD1-CG 3.31Å; D334-H336 PolarHBondContact OD1-N 3.5Å; D334-H336 IonicContact OD1-ND1 2.81Å; D334-H336 PolarHBondContact OD1-ND1 3.43Å; D334-H336 IonicContact OD2-ND1 3.6Å
337W98.3Very high97.1Very high0 Ų037.9 Ų37.90%021%0.214CC..THydrogen-bonded Turntrans-127.812.4175.255.483.8000113.6A276 K280 F281 Y288 F292 F320 Y323 L324 M333 D334 I335 Y416A276-W337 HydrophobicContact CB-CE3 4.42Å; K280-W337 HydrophobicContact CG-CZ3 4.39Å; F281-W337 HydrophobicContact CE2-CZ3 4.5Å; Y288-W337 HydrophobicContact CD1-CH2 4.27Å; Y288-W337 HydrophobicContact CD1-CZ3 4.39Å; Y288-W337 AromaticContact CE1-CH2 3.96Å; Y288-W337 HydrophobicContact CE1-CH2 3.96Å; Y288-W337 AromaticContact CE1-CZ3 3.98Å; Y288-W337 HydrophobicContact CE1-CZ3 3.98Å; F292-W337 AromaticContact CD1-CH2 3.87Å; F292-W337 HydrophobicContact CD1-CH2 3.87Å; F292-W337 AromaticContact CD1-CZ2 3.71Å; F292-W337 HydrophobicContact CD1-CZ2 3.71Å; F292-W337 HydrophobicContact CD2-CH2 4.12Å; F292-W337 AromaticContact CE1-CH2 3.86Å; F292-W337 HydrophobicContact CE1-CH2 3.86Å; F292-W337 AromaticContact CE1-CZ2 3.5Å; F292-W337 HydrophobicContact CE1-CZ2 3.5Å; F292-W337 VanDerWaalsContact CE1-CZ2 3.5Å; F292-W337 HydrophobicContact CE2-CH2 4.09Å; F292-W337 HydrophobicContact CG-CH2 4.01Å; F292-W337 HydrophobicContact CG-CZ2 4.32Å; F292-W337 AromaticContact CZ-CH2 3.96Å; F292-W337 HydrophobicContact CZ-CH2 3.96Å; F292-W337 AromaticContact CZ-CZ2 3.94Å; F292-W337 HydrophobicContact CZ-CZ2 3.94Å; F320-W337 AromaticContact CE2-CD2 3.95Å; F320-W337 HydrophobicContact CE2-CD2 3.95Å; F320-W337 AromaticContact CE2-CE3 3.94Å; F320-W337 HydrophobicContact CE2-CE3 3.94Å; F320-W337 HydrophobicContact CE2-CG 4.41Å; F320-W337 HydrophobicContact CE2-CZ3 4.24Å; F320-W337 HydrophobicContact CZ-CB 4.19Å; F320-W337 HydrophobicContact CZ-CD2 4.01Å; F320-W337 HydrophobicContact CZ-CE3 4.02Å; F320-W337 HydrophobicContact CZ-CG 4.11Å; Y323-W337 AromaticContact CE1-CE2 3.98Å; Y323-W337 AromaticContact CE1-CZ2 3.8Å; Y323-W337 HydrophobicContact CE1-CZ2 3.8Å; Y323-W337 AromaticContact CE1-NE1 3.81Å; L324-W337 HydrophobicContact CD1-CB 4.37Å; L324-W337 HydrophobicContact CD1-CG 4.29Å; M333-W337 VanDerWaalsContact CE-CD1 3.43Å; M333-W337 HydrophobicContact CE-CG 4.47Å; M333-W337 VanDerWaalsContact CE-O 3.31Å; M333-W337 WeakPolarHBondContact CE-O 3.49Å; D334-W337 HydrophobicContact CB-CD2 3.85Å; D334-W337 VanDerWaalsContact CB-CE2 3.4Å; D334-W337 HydrophobicContact CB-CE3 4.04Å; D334-W337 HydrophobicContact CB-CH2 3.41Å; D334-W337 VanDerWaalsContact CB-CH2 3.41Å; D334-W337 HydrophobicContact CB-CZ2 3.19Å; D334-W337 HydrophobicContact CB-CZ3 3.84Å; D334-W337 PolarHBondContact O-N 3.13Å; D334-W337 VanDerWaalsContact O-N 3.17Å; I335-W337 PolarHBondContact O-N 2.87Å; W337-Y416 PolarHBondContact O-OH 2.97Å
338E98.1Very high97.1Very high35 Ų3537.2 Ų37.216%0.16420%0.199CC..SBendtrans-68.6156.3169.8-17357.1-82.200112.9R272 M333 D334 M340 K342 L343R272-E338 PolarHBondContact NH2-O 2.8Å; M333-E338 HydrophobicContact CE-CB 4.36Å; D334-E338 PolarHBondContact O-N 3.13Å; E338-M340 PolarHBondContact O-N 2.6Å; E338-K342 HydrophobicContact CG-CB 4.24Å; E338-K342 IonicContact OE1-NZ 3.88Å; E338-L343 HydrophobicContact CB-CD1 4.44Å; E338-L343 HydrophobicContact CB-CD2 3.92Å; E338-L343 HydrophobicContact CB-CG 4.12Å; E338-L343 HydrophobicContact CG-CD2 3.93Å; E338-L343 HydrophobicContact CG-CG 4.11Å
339Q98.3Very high97Very high11 Ų1130.5 Ų30.55%0.05117%0.168CC..  trans-66.1137.8174.7-62.793.212.900111.8N341 K342 L343 F415 Y416 D419Q339-N341 VanDerWaalsContact C-N 3.29Å; Q339-N341 WeakPolarHBondContact CB-ND2 3.4Å; Q339-N341 PolarHBondContact O-N 2.96Å; Q339-K342 HydrophobicContact CB-CB 4.47Å; Q339-K342 HydrophobicContact CB-CG 4.27Å; Q339-K342 WeakPolarHBondContact O-CB 3.29Å; Q339-K342 PolarHBondContact O-N 2.8Å; Q339-L343 PolarHBondContact O-N 2.68Å; Q339-L343 VanDerWaalsContact O-N 3.08Å; Q339-F415 HydrophobicContact CG-CE1 4.49Å; Q339-F415 PolarHBondContact NE2-O 3.45Å; Q339-Y416 HydrophobicContact CB-CD1 4.42Å; Q339-Y416 HydrophobicContact CG-CD1 3.73Å; Q339-Y416 HydrophobicContact CG-CE1 4.03Å; Q339-D419 WeakPolarHBondContact CA-OD2 3.32Å; Q339-D419 WeakPolarHBondContact CB-OD2 3.4Å
340M98.3Very high96.9Very high0 Ų032.7 Ų32.70%018%0.184CC..Hα-helixtrans-62.3-37.1-177.6-59.3-178.3-77.600111.7V206 V266 R267 P269 E338 K342 L343 C344 D419 F423V206-M340 HydrophobicContact CG1-CB 4.31Å; V206-M340 HydrophobicContact CG1-CG 3.55Å; V206-M340 HydrophobicContact CG1-SD 3.76Å; V266-M340 HydrophobicContact CB-CE 4.18Å; V266-M340 HydrophobicContact CB-SD 3.68Å; V266-M340 HydrophobicContact CG1-CB 4.46Å; V266-M340 HydrophobicContact CG1-CE 4.41Å; V266-M340 HydrophobicContact CG1-SD 3.77Å; R267-M340 WeakPolarHBondContact O-CE 3.45Å; P269-M340 HydrophobicContact CG-CE 4.03Å; E338-M340 PolarHBondContact O-N 2.6Å; M340-K342 PolarHBondContact O-N 2.83Å; M340-L343 PolarHBondContact O-N 2.72Å; M340-C344 PolarHBondContact O-N 3.42Å; M340-C344 VanDerWaalsContact O-N 3.09Å; M340-D419 HydrophobicContact CE-CB 3.89Å; M340-D419 PolarHBondContact N-OD1 3.23Å; M340-D419 PolarHBondContact N-OD2 3.19Å; M340-F423 HydrophobicContact CB-CE2 3.74Å; M340-F423 HydrophobicContact CB-CZ 4.22Å; M340-F423 HydrophobicContact CE-CD2 4Å; M340-F423 HydrophobicContact CE-CE2 4.33Å
341N97Very high96.9Very high18 Ų1830.1 Ų30.110%0.09617%0.166CC..Hα-helixtrans-63.4-26.6174.875.986.7000113.3Q339 H345 P346 D419 M422 F423Q339-N341 VanDerWaalsContact C-N 3.29Å; Q339-N341 WeakPolarHBondContact CB-ND2 3.4Å; Q339-N341 PolarHBondContact O-N 2.96Å; N341-H345 WeakPolarHBondContact O-CA 3.42Å; N341-H345 PolarHBondContact O-N 3.07Å; N341-H345 VanDerWaalsContact O-N 3.08Å; N341-P346 WeakPolarHBondContact O-CD 3.18Å; N341-D419 WeakPolarHBondContact CB-OD1 3.3Å; N341-D419 PolarHBondContact N-OD1 3.47Å; N341-D419 PolarHBondContact ND2-OD1 2.88Å; N341-M422 HydrophobicContact CB-SD 3.53Å; N341-M422 VanDerWaalsContact CB-SD 3.53Å; N341-F423 HydrophobicContact CB-CE2 4.38Å
342K96.4Very high97Very high98 Ų9830.7 Ų30.743%0.42617%0.169SC..Hα-helixtrans-84.5-29.9175.2-69.9-169.4-172.3159.70112.8E338 Q339 M340 H345E338-K342 HydrophobicContact CG-CB 4.24Å; E338-K342 IonicContact OE1-NZ 3.88Å; Q339-K342 HydrophobicContact CB-CB 4.47Å; Q339-K342 HydrophobicContact CB-CG 4.27Å; Q339-K342 WeakPolarHBondContact O-CB 3.29Å; Q339-K342 PolarHBondContact O-N 2.8Å; M340-K342 PolarHBondContact O-N 2.83Å; K342-H345 PolarHBondContact O-CE1 3.26Å; K342-H345 VanDerWaalsContact O-CE1 3.25Å; K342-H345 PolarHBondContact O-NE2 2.74Å; K342-H345 VanDerWaalsContact O-NE2 3.07Å
343L97.8Very high97.1Very high4 Ų428.4 Ų28.42%0.02114%0.144CC..Hα-helixtrans-69.4-43.5176-67.9174.2000111.4Y192 I335 E338 Q339 M340Y192-L343 HydrophobicContact CD2-CB 4.3Å; Y192-L343 HydrophobicContact CD2-CD2 3.84Å; Y192-L343 WeakPolarHBondContact CD2-O 3.41Å; Y192-L343 HydrophobicContact CE2-CD2 3.55Å; I335-L343 HydrophobicContact CB-CD2 4.29Å; I335-L343 HydrophobicContact CG2-CD2 4.46Å; E338-L343 HydrophobicContact CB-CD1 4.44Å; E338-L343 HydrophobicContact CB-CD2 3.92Å; E338-L343 HydrophobicContact CB-CG 4.12Å; E338-L343 HydrophobicContact CG-CD2 3.93Å; E338-L343 HydrophobicContact CG-CG 4.11Å; Q339-L343 PolarHBondContact O-N 2.68Å; Q339-L343 VanDerWaalsContact O-N 3.08Å; M340-L343 PolarHBondContact O-N 2.72Å
344C97.8Very high97.2Very high0 Ų026.1 Ų26.10%013%0.133CC..Hα-helixtrans-111.5-5.8-168.5-67.10000114.7C204 M264 M340 Y351C204-C344 HydrophobicContact CB-CB 3.87Å; C204-C344 WeakPolarHBondContact CB-SG 3.4Å; C204-C344 WeakPolarHBondContact SG-CA 3.48Å; C204-C344 WeakPolarHBondContact SG-CB 3.47Å; C204-C344 CovalentContact SG-SG 2.03Å; C204-C344 PolarHBondContact SG-SG 2.91Å; M264-C344 HydrophobicContact CE-CB 3.63Å; M264-C344 HydrophobicContact SD-CB 3.95Å; M340-C344 PolarHBondContact O-N 3.42Å; M340-C344 VanDerWaalsContact O-N 3.09Å; C344-Y351 HydrophobicContact CB-CE2 4.39Å; C344-Y351 WeakPolarHBondContact CB-OH 3.17Å; C344-Y351 WeakPolarHBondContact O-CE2 3.45Å; C344-Y351 PolarHBondContact O-OH 2.9Å
345H96.7Very high97.2Very high44 Ų4425.2 Ų25.220%0.20413%0.128CC..  trans44.855175.7-56.2-81.4000114.7H189 N341 K342 C347 L348 I349H189-H345 AromaticContact CD2-CE1 3.72Å; H189-H345 AromaticContact CD2-NE2 3.75Å; H189-H345 PolarHBondContact O-CD2 3.28Å; H189-H345 VanDerWaalsContact O-CD2 3.25Å; N341-H345 WeakPolarHBondContact O-CA 3.42Å; N341-H345 PolarHBondContact O-N 3.07Å; N341-H345 VanDerWaalsContact O-N 3.08Å; K342-H345 PolarHBondContact O-CE1 3.26Å; K342-H345 VanDerWaalsContact O-CE1 3.25Å; K342-H345 PolarHBondContact O-NE2 2.74Å; K342-H345 VanDerWaalsContact O-NE2 3.07Å; H345-C347 PolarHBondContact O-N 3.43Å; H345-L348 HydrophobicContact CB-CB 4.09Å; H345-L348 HydrophobicContact CB-CD1 4.07Å; H345-L348 HydrophobicContact CB-CG 4.31Å; H345-L348 PolarHBondContact O-N 3.35Å; H345-I349 PolarHBondContact O-N 3Å
346P96.1Very high97.2Very high12 Ų1224.4 Ų24.48%0.07812%0.123CC..THydrogen-bonded Turntrans-66.4-7.1-174.430.3-37.9000114.5M170 N341 Y351 F423M170-P346 HydrophobicContact CE-CB 3.73Å; M170-P346 HydrophobicContact CE-CG 3.66Å; M170-P346 HydrophobicContact CG-CB 4.03Å; M170-P346 HydrophobicContact SD-CB 3.63Å; M170-P346 HydrophobicContact SD-CG 3.6Å; N341-P346 WeakPolarHBondContact O-CD 3.18Å; P346-Y351 HydrophobicContact CB-CD2 4.04Å; P346-Y351 HydrophobicContact CB-CE2 4.1Å; P346-F423 HydrophobicContact CG-CZ 4.21Å
347C95.1Very high97.2Very high42 Ų4225.3 Ų25.328%0.28413%0.127SC..THydrogen-bonded Turntrans-88.7-12.8169.6-560000114.1C174 K178 H345 M422C174-C347 WeakPolarHBondContact CA-SG 3.42Å; C174-C347 HydrophobicContact CB-CB 3.63Å; C174-C347 WeakPolarHBondContact CB-SG 3.37Å; C174-C347 WeakPolarHBondContact SG-CA 3.28Å; C174-C347 WeakPolarHBondContact SG-CB 3.39Å; C174-C347 CovalentContact SG-SG 2.04Å; C174-C347 PolarHBondContact SG-SG 3.44Å; K178-C347 HydrophobicContact CB-CB 4.1Å; K178-C347 HydrophobicContact CG-CB 4.28Å; H345-C347 PolarHBondContact O-N 3.43Å; C347-M422 VanDerWaalsContact SG-CE 3.5Å
348L94.6Very high97.1Very high33 Ų3329.5 Ų29.517%0.17315%0.146CC..THydrogen-bonded Turntrans-101.7-26.5173.1-66.9179.8000112I181 S182 H189 H345I181-L348 HydrophobicContact CG2-CD2 3.62Å; I181-L348 HydrophobicContact CG2-CG 4.41Å; S182-L348 WeakPolarHBondContact O-CD2 3.19Å; H189-L348 HydrophobicContact CB-CD1 4.43Å; H345-L348 HydrophobicContact CB-CB 4.09Å; H345-L348 HydrophobicContact CB-CD1 4.07Å; H345-L348 HydrophobicContact CB-CG 4.31Å; H345-L348 PolarHBondContact O-N 3.35Å
349I96.1Very high97Very high4 Ų431.1 Ų31.12%0.02116%0.156CC..SBendtrans-121.3118.6-172.6-56.3178.6000108.3V190 I193 L257 K262 H345 Y351V190-I349 HydrophobicContact CG1-CD1 3.99Å; I193-I349 HydrophobicContact CD1-CD1 3.41Å; I193-I349 VanDerWaalsContact CD1-CD1 3.41Å; L257-I349 HydrophobicContact CD2-CG2 4.14Å; K262-I349 HydrophobicContact CD-CG2 4.03Å; H345-I349 PolarHBondContact O-N 3Å; I349-Y351 HydrophobicContact CB-CD2 4.4Å; I349-Y351 HydrophobicContact CB-CE2 3.85Å; I349-Y351 HydrophobicContact CG2-CD2 4.26Å; I349-Y351 HydrophobicContact CG2-CE1 4.42Å; I349-Y351 HydrophobicContact CG2-CE2 3.85Å; I349-Y351 VanDerWaalsContact O-CD2 3.23Å; I349-Y351 WeakPolarHBondContact O-CD2 3.45Å; I349-Y351 PolarHBondContact O-N 2.79Å
350D94.8Very high96.9Very high98 Ų9831.8 Ų31.852%0.52416%0.16SC..  trans-79.9100.9177.8-164.517.8000109.6K171 K262K171-D350 WeakPolarHBondContact CE-OD1 3.4Å; K171-D350 IonicContact NZ-OD1 2.71Å; K262-D350 WeakPolarHBondContact CD-O 3.39Å; K262-D350 WeakPolarHBondContact CE-O 3.32Å
351Y98.1Very high96.8Very high6 Ų634.1 Ų34.12%0.02418%0.183CC..  trans-78.1126.8179.4-74.2-85.7000110.7K167 C204 K262 M264 C344 P346 I349 L353K167-Y351 WeakPolarHBondContact CE-O 3.48Å; C204-Y351 HydrophobicContact CB-CE1 3.87Å; C204-Y351 VanDerWaalsContact CB-OH 3.24Å; C204-Y351 WeakPolarHBondContact CB-OH 3.29Å; K262-Y351 HydrophobicContact CB-CD1 4.01Å; K262-Y351 HydrophobicContact CB-CE1 4.49Å; M264-Y351 HydrophobicContact CB-CD1 4.2Å; M264-Y351 HydrophobicContact CB-CE1 3.99Å; M264-Y351 HydrophobicContact CG-CD1 4.04Å; M264-Y351 HydrophobicContact CG-CE1 4.17Å; M264-Y351 HydrophobicContact CG-CG 4.31Å; M264-Y351 HydrophobicContact SD-CD1 4.41Å; M264-Y351 HydrophobicContact SD-CD2 4.1Å; M264-Y351 HydrophobicContact SD-CE1 4.31Å; M264-Y351 HydrophobicContact SD-CE2 3.97Å; M264-Y351 HydrophobicContact SD-CG 4.33Å; C344-Y351 HydrophobicContact CB-CE2 4.39Å; C344-Y351 WeakPolarHBondContact CB-OH 3.17Å; C344-Y351 WeakPolarHBondContact O-CE2 3.45Å; C344-Y351 PolarHBondContact O-OH 2.9Å; P346-Y351 HydrophobicContact CB-CD2 4.04Å; P346-Y351 HydrophobicContact CB-CE2 4.1Å; I349-Y351 HydrophobicContact CB-CD2 4.4Å; I349-Y351 HydrophobicContact CB-CE2 3.85Å; I349-Y351 HydrophobicContact CG2-CD2 4.26Å; I349-Y351 HydrophobicContact CG2-CE1 4.42Å; I349-Y351 HydrophobicContact CG2-CE2 3.85Å; I349-Y351 VanDerWaalsContact O-CD2 3.23Å; I349-Y351 WeakPolarHBondContact O-CD2 3.45Å; I349-Y351 PolarHBondContact O-N 2.79Å; Y351-L353 VanDerWaalsContact C-N 3.28Å; Y351-L353 PolarHBondContact O-N 2.78Å
352D97.6Very high96.7Very high39 Ų3937.6 Ų37.621%0.20920%0.199CC..SBendtrans-67.4-30.6173.2-65.2-95.5000111.8K167 K261 K262K167-D352 WeakPolarHBondContact CD-O 3.07Å; K167-D352 PolarHBondContact NZ-O 2.96Å; K261-D352 WeakPolarHBondContact CA-OD2 3.21Å; K261-D352 HydrophobicContact CD-CB 4.04Å; K261-D352 VanDerWaalsContact CD-CG 3.48Å; K261-D352 VanDerWaalsContact CD-OD1 3.28Å; K261-D352 WeakPolarHBondContact CD-OD1 3.41Å; K261-D352 IonicContact NZ-OD1 3.25Å; K261-D352 PolarHBondContact NZ-OD1 2.83Å; K262-D352 WeakPolarHBondContact CE-OD2 3.35Å; K262-D352 PolarHBondContact N-OD2 2.93Å; K262-D352 IonicContact NZ-OD2 2.98Å; K262-D352 WeakPolarHBondContact O-CA 3.36Å; K262-D352 WeakPolarHBondContact O-CB 3.13Å; K262-D352 PolarHBondContact O-N 3Å
353L97.6Very high96.8Very high1 Ų133 Ų331%0.00518%0.179CC..EExtended strand (participates in β ladder)trans-144.8128.9177.3-173.5148.5000111.7L163 K262 F263 M264 F265 Y351 F366 L367 M370L163-L353 HydrophobicContact CD1-CD1 3.75Å; L163-L353 HydrophobicContact CD1-CG 4.34Å; L163-L353 HydrophobicContact CD2-CD1 4.48Å; L163-L353 HydrophobicContact CD2-CG 4.28Å; K262-L353 PolarHBondContact O-N 3.19Å; F263-L353 WeakPolarHBondContact CA-O 3.12Å; F263-L353 HydrophobicContact CB-CB 4.06Å; F263-L353 HydrophobicContact CB-CD2 4.34Å; F263-L353 WeakPolarHBondContact CB-O 3.44Å; M264-L353 PolarHBondContact N-O 2.76Å; M264-L353 VanDerWaalsContact N-O 3.13Å; F265-L353 HydrophobicContact CE2-CD2 3.97Å; F265-L353 HydrophobicContact CZ-CD2 4.12Å; Y351-L353 VanDerWaalsContact C-N 3.28Å; Y351-L353 PolarHBondContact O-N 2.78Å; L353-F366 HydrophobicContact CD1-CD1 4.14Å; L353-L367 HydrophobicContact CD1-CB 3.96Å; L353-L367 HydrophobicContact CD1-CD1 4.17Å; L353-M370 HydrophobicContact CD1-CE 4.39Å
354I98.3Very high96.8Very high5 Ų532.9 Ų32.93%0.02618%0.179CC..EExtended strand (participates in β ladder)trans-114.7102.9170.8-59.8172.2000106.5R166 M170 M264 V266 F423R166-I354 WeakPolarHBondContact CD-O 3.45Å; R166-I354 PolarHBondContact NH1-O 3.41Å; M170-I354 HydrophobicContact CB-CD1 4.01Å; M170-I354 HydrophobicContact CE-CD1 3.94Å; M170-I354 HydrophobicContact CG-CD1 4.05Å; M264-I354 HydrophobicContact CG-CB 4.47Å; M264-I354 HydrophobicContact CG-CG1 4.2Å; M264-I354 HydrophobicContact CG-CG2 4.22Å; M264-I354 CarbonylContact O-C 3.32Å; V266-I354 HydrophobicContact CG2-CG2 4.23Å; I354-F423 HydrophobicContact CG2-CD1 3.92Å; I354-F423 HydrophobicContact CG2-CE1 4.11Å
355G98.1Very high96.7Very high0 Ų035 Ų350%019%0.19CC..EExtended strand (participates in β ladder)trans-89.1159.3-178.300000113.2M264 F265 V266 E363M264-G355 PolarHBondContact O-N 2.92Å; F265-G355 CarbonylContact C-O 3.42Å; F265-G355 WeakPolarHBondContact CA-O 3.07Å; V266-G355 VanDerWaalsContact CG2-O 3.25Å; V266-G355 WeakPolarHBondContact CG2-O 3.44Å; V266-G355 PolarHBondContact N-O 2.77Å; G355-E363 WeakPolarHBondContact CA-OE2 3.48Å
356K98.1Very high96.7Very high31 Ų3134.2 Ų34.214%0.13519%0.186CC..EExtended strand (participates in β ladder)trans-107.8135.9172.7-75.9-160.8176.7-167.20110.9V266 E358 N359 M360 E363 F423 N424 Y425V266-K356 HydrophobicContact CG2-CG 4.3Å; V266-K356 CarbonylContact O-C 3.52Å; K356-E358 WeakPolarHBondContact CB-OE2 3.28Å; K356-E358 PolarHBondContact O-N 3.5Å; K356-N359 CarbonylContact O-C 3.46Å; K356-N359 PolarHBondContact O-N 3.19Å; K356-M360 PolarHBondContact O-N 2.96Å; K356-E363 PolarHBondContact N-OE2 3.23Å; K356-F423 WeakPolarHBondContact CE-O 3.35Å; K356-N424 PolarHBondContact NZ-O 3.18Å; K356-Y425 HydrophobicContact CD-CE1 4Å
357F97.9Very high96.7Very high51 Ų5133.9 Ų33.922%0.22418%0.183CC..G310 helixtrans-61.3-33.2179.1178.6-96000111.7S209 V266 R267 N359 M360S209-F357 VanDerWaalsContact C-CD2 3.43Å; V266-F357 WeakPolarHBondContact O-CB 3.4Å; V266-F357 PolarHBondContact O-N 3.29Å; R267-F357 HydrophobicContact CB-CB 3.79Å; R267-F357 HydrophobicContact CB-CG 4.38Å; R267-F357 HydrophobicContact CG-CB 3.92Å; R267-F357 HydrophobicContact CG-CD1 4.06Å; R267-F357 HydrophobicContact CG-CG 4.15Å; F357-N359 PolarHBondContact O-N 3.22Å; F357-M360 HydrophobicContact CD2-CE 3.67Å; F357-M360 HydrophobicContact CE2-CE 4.39Å; F357-M360 VanDerWaalsContact O-CB 3.29Å; F357-M360 WeakPolarHBondContact O-CB 3.34Å; F357-M360 PolarHBondContact O-N 3.11Å
358E96.6Very high96.9Very high87 Ų8731.9 Ų31.941%0.40717%0.17SC..G310 helixtrans-64.6-24.7177.5-58.174-159.900111.9E268 K356 Y425E268-E358 PolarHBondContact N-OE1 2.88Å; K356-E358 WeakPolarHBondContact CB-OE2 3.28Å; K356-E358 PolarHBondContact O-N 3.5Å; E358-Y425 PolarHBondContact OE2-OH 3.45Å
359N96.5Very high97Very high70 Ų7032.8 Ų32.837%0.37417%0.171SC..G310 helixtrans-115.522.4179.6-57.7100.3000112.3K356 F357 G361 E362 E363K356-N359 CarbonylContact O-C 3.46Å; K356-N359 PolarHBondContact O-N 3.19Å; F357-N359 PolarHBondContact O-N 3.22Å; N359-G361 VanDerWaalsContact C-N 3.3Å; N359-G361 PolarHBondContact O-N 3.1Å; N359-G361 VanDerWaalsContact O-N 3.16Å; N359-E362 PolarHBondContact O-N 3.08Å; N359-E363 HydrophobicContact CB-CG 4.01Å; N359-E363 PolarHBondContact O-N 3.47Å
360M96.1Very high96.9Very high25 Ų2536.5 Ų36.512%0.12319%0.189CC..Hα-helixtrans-53.3-42.4-169.7-175.167.776.600113.4S209 W214 F265 K356 F357 S364 L379S209-M360 WeakPolarHBondContact O-CE 3.3Å; W214-M360 HydrophobicContact CZ2-SD 4.21Å; W214-M360 PolarHBondContact NE1-SD 3.43Å; W214-M360 VanDerWaalsContact NE1-SD 3.39Å; F265-M360 HydrophobicContact CB-CE 4.02Å; F265-M360 HydrophobicContact CD1-CE 3.55Å; F265-M360 HydrophobicContact CD1-SD 3.37Å; F265-M360 WeakPolarHBondContact CD1-SD 3.32Å; F265-M360 HydrophobicContact CE1-CE 4.27Å; F265-M360 HydrophobicContact CE1-SD 3.47Å; F265-M360 WeakPolarHBondContact CE1-SD 3.36Å; F265-M360 HydrophobicContact CG-CE 3.9Å; F265-M360 HydrophobicContact CG-SD 3.97Å; F265-M360 HydrophobicContact CZ-SD 4.16Å; K356-M360 PolarHBondContact O-N 2.96Å; F357-M360 HydrophobicContact CD2-CE 3.67Å; F357-M360 HydrophobicContact CE2-CE 4.39Å; F357-M360 VanDerWaalsContact O-CB 3.29Å; F357-M360 WeakPolarHBondContact O-CB 3.34Å; F357-M360 PolarHBondContact O-N 3.11Å; M360-S364 WeakPolarHBondContact O-CB 3.27Å; M360-S364 PolarHBondContact O-N 3.01Å; M360-S364 PolarHBondContact O-OG 3.22Å; M360-L379 HydrophobicContact CE-CD2 4.44Å; M360-L379 HydrophobicContact CG-CD2 3.29Å; M360-L379 HydrophobicContact SD-CD2 3.27Å; M360-L379 WeakPolarHBondContact SD-CD2 3.33Å
361G95.5Very high97Very high48 Ų4833.1 Ų33.150%0.49517%0.171SC..Hα-helixtrans-61.2-49.7-176.900000113.2N359 S364 N365N359-G361 VanDerWaalsContact C-N 3.3Å; N359-G361 PolarHBondContact O-N 3.1Å; N359-G361 VanDerWaalsContact O-N 3.16Å; G361-S364 PolarHBondContact O-OG 2.84Å; G361-N365 WeakPolarHBondContact O-CB 3.32Å; G361-N365 VanDerWaalsContact O-CG 3.23Å; G361-N365 PolarHBondContact O-N 2.91Å; G361-N365 PolarHBondContact O-ND2 3.23Å
362E95.9Very high96.9Very high91 Ų9135.4 Ų35.443%0.42520%0.196SC..Hα-helixtrans-73.7-48.6-178.1-164.1-171.5177.600111.6L159 N359 S364 N365 F366L159-E362 HydrophobicContact CD2-CG 3.84Å; N359-E362 PolarHBondContact O-N 3.08Å; E362-S364 PolarHBondContact O-N 2.91Å; E362-N365 WeakPolarHBondContact O-CB 3.1Å; E362-N365 PolarHBondContact O-N 2.76Å; E362-F366 PolarHBondContact O-N 2.72Å
363E97.2Very high96.9Very high3 Ų333.8 Ų33.81%0.01419%0.188CC..Hα-helixtrans-70.8-34.1-174.7-69.8-172.4172.600112.8L159 L163 R166 F265 G355 K356 N359 L367L159-E363 HydrophobicContact CD1-CG 4Å; L163-E363 HydrophobicContact CD2-CG 4.3Å; R166-E363 IonicContact CZ-OE1 3.65Å; R166-E363 VanDerWaalsContact CZ-OE1 3.31Å; R166-E363 VanDerWaalsContact NH1-CD 3.31Å; R166-E363 IonicContact NH1-OE1 2.92Å; R166-E363 PolarHBondContact NH1-OE1 3.29Å; R166-E363 IonicContact NH1-OE2 3.46Å; R166-E363 PolarHBondContact NH1-OE2 2.91Å; R166-E363 IonicContact NH2-OE1 3.48Å; R166-E363 PolarHBondContact NH2-OE1 3.26Å; F265-E363 HydrophobicContact CE1-CB 4.02Å; F265-E363 HydrophobicContact CZ-CB 4.16Å; G355-E363 WeakPolarHBondContact CA-OE2 3.48Å; K356-E363 PolarHBondContact N-OE2 3.23Å; N359-E363 HydrophobicContact CB-CG 4.01Å; N359-E363 PolarHBondContact O-N 3.47Å; E363-L367 PolarHBondContact O-N 2.86Å; E363-L367 VanDerWaalsContact O-N 3.07Å
364S97.8Very high96.9Very high1 Ų136.7 Ų36.71%0.00721%0.207CC..Hα-helixtrans-67.3-39.8172.766.50000111.7M360 G361 E362 L367 L368 L379M360-S364 WeakPolarHBondContact O-CB 3.27Å; M360-S364 PolarHBondContact O-N 3.01Å; M360-S364 PolarHBondContact O-OG 3.22Å; G361-S364 PolarHBondContact O-OG 2.84Å; E362-S364 PolarHBondContact O-N 2.91Å; S364-L367 PolarHBondContact O-N 3.46Å; S364-L368 WeakPolarHBondContact O-CB 3.24Å; S364-L368 VanDerWaalsContact O-CG 3.29Å; S364-L368 WeakPolarHBondContact O-CG 3.29Å; S364-L368 PolarHBondContact O-N 3.17Å; S364-L379 WeakPolarHBondContact OG-CB 3.5Å
365N96.9Very high96.7Very high45 Ų4542.4 Ų42.424%0.24124%0.238CC..Hα-helixtrans-62.6-45176-82.7-33.6000111.4G361 E362 L367 L368 R369 K378G361-N365 WeakPolarHBondContact O-CB 3.32Å; G361-N365 VanDerWaalsContact O-CG 3.23Å; G361-N365 PolarHBondContact O-N 2.91Å; G361-N365 PolarHBondContact O-ND2 3.23Å; E362-N365 WeakPolarHBondContact O-CB 3.1Å; E362-N365 PolarHBondContact O-N 2.76Å; N365-L367 VanDerWaalsContact C-N 3.34Å; N365-L367 PolarHBondContact O-N 3.48Å; N365-L368 PolarHBondContact O-N 3.33Å; N365-R369 WeakPolarHBondContact O-CG 3.41Å; N365-R369 PolarHBondContact O-N 3.01Å; N365-K378 WeakPolarHBondContact OD1-CD 3.19Å; N365-K378 PolarHBondContact OD1-NZ 3.48Å
366F96.1Very high96.4Very high27 Ų2747.7 Ų47.712%0.11828%0.275CS..Hα-helixtrans-57.4-46.9175.3-178.4-96.4000111.9R156 L159 L163 L353 E362 R369 M370R156-F366 HydrophobicContact CG-CD2 4.15Å; R156-F366 HydrophobicContact CG-CE2 3.91Å; L159-F366 HydrophobicContact CD2-CB 3.58Å; L159-F366 HydrophobicContact CD2-CD2 3.9Å; L159-F366 HydrophobicContact CD2-CG 3.81Å; L159-F366 HydrophobicContact CG-CD2 4.44Å; L159-F366 HydrophobicContact CG-CG 4.43Å; L163-F366 HydrophobicContact CD1-CD1 3.42Å; L163-F366 VanDerWaalsContact CD1-CD1 3.42Å; L163-F366 HydrophobicContact CD1-CE1 3.47Å; L163-F366 VanDerWaalsContact CD1-CE1 3.47Å; L163-F366 HydrophobicContact CD1-CG 4.29Å; L163-F366 HydrophobicContact CD1-CZ 4.38Å; L353-F366 HydrophobicContact CD1-CD1 4.14Å; E362-F366 PolarHBondContact O-N 2.72Å; F366-R369 PolarHBondContact O-N 3.47Å; F366-M370 HydrophobicContact CD1-CE 3.87Å; F366-M370 HydrophobicContact CE1-CE 3.25Å; F366-M370 HydrophobicContact CZ-CE 4.06Å; F366-M370 WeakPolarHBondContact O-CB 3.19Å; F366-M370 PolarHBondContact O-N 3.39Å
367L97Very high96.3Very high4 Ų447 Ų472%0.02127%0.272CS..Hα-helixtrans-60.5-47.6176177.961000112.1W214 F263 F265 L353 E363 S364 N365 R369 M370 I371W214-L367 HydrophobicContact CH2-CD2 3.69Å; W214-L367 HydrophobicContact CZ2-CD2 4.39Å; W214-L367 HydrophobicContact CZ3-CD2 4.06Å; F263-L367 HydrophobicContact CB-CD1 4.47Å; F263-L367 HydrophobicContact CB-CD2 3.95Å; F263-L367 HydrophobicContact CD1-CD2 3.75Å; F263-L367 HydrophobicContact CD2-CD2 3.3Å; F263-L367 HydrophobicContact CE1-CD2 3.99Å; F263-L367 HydrophobicContact CE2-CD2 3.57Å; F263-L367 HydrophobicContact CG-CD1 4.47Å; F263-L367 HydrophobicContact CG-CD2 3.38Å; F263-L367 HydrophobicContact CZ-CD2 3.9Å; F265-L367 HydrophobicContact CE2-CD2 4.34Å; L353-L367 HydrophobicContact CD1-CB 3.96Å; L353-L367 HydrophobicContact CD1-CD1 4.17Å; E363-L367 PolarHBondContact O-N 2.86Å; E363-L367 VanDerWaalsContact O-N 3.07Å; S364-L367 PolarHBondContact O-N 3.46Å; N365-L367 VanDerWaalsContact C-N 3.34Å; N365-L367 PolarHBondContact O-N 3.48Å; L367-R369 VanDerWaalsContact C-N 3.31Å; L367-R369 PolarHBondContact O-N 3.5Å; L367-M370 WeakPolarHBondContact O-CB 3.42Å; L367-M370 PolarHBondContact O-N 2.87Å; L367-M370 VanDerWaalsContact O-N 3.08Å; L367-I371 HydrophobicContact CD1-CG2 3.95Å; L367-I371 PolarHBondContact O-N 3.33Å
368L97.9Very high96.2Very high0 Ų049.4 Ų49.40%028%0.283CS..Hα-helixtrans-60.2-41.4179.8-72.4173.3000111.6T217 L221 S364 N365 I371 G372 A373 L377T217-L368 HydrophobicContact CG2-CD2 3.97Å; L221-L368 HydrophobicContact CD1-CD2 4.26Å; S364-L368 WeakPolarHBondContact O-CB 3.24Å; S364-L368 VanDerWaalsContact O-CG 3.29Å; S364-L368 WeakPolarHBondContact O-CG 3.29Å; S364-L368 PolarHBondContact O-N 3.17Å; N365-L368 PolarHBondContact O-N 3.33Å; L368-I371 HydrophobicContact CD2-CD1 4.33Å; L368-I371 WeakPolarHBondContact O-CG1 3.42Å; L368-G372 PolarHBondContact O-N 3.17Å; L368-A373 HydrophobicContact CB-CB 4.08Å; L368-A373 HydrophobicContact CD2-CB 3.92Å; L368-A373 VanDerWaalsContact O-CB 3.25Å; L368-A373 WeakPolarHBondContact O-CB 3.36Å; L368-A373 PolarHBondContact O-N 3.48Å; L368-L377 HydrophobicContact CD2-CD2 4.36Å
369R96.3Very high96.2Very high53 Ų5346.3 Ų46.320%0.227%0.269CS..Hα-helixtrans-65.3-40.8173-62-51.2108.3-134.4-0.9111.7N365 F366 L367 I371 G372 A373 P374 D375 L377N365-R369 WeakPolarHBondContact O-CG 3.41Å; N365-R369 PolarHBondContact O-N 3.01Å; F366-R369 PolarHBondContact O-N 3.47Å; L367-R369 VanDerWaalsContact C-N 3.31Å; L367-R369 PolarHBondContact O-N 3.5Å; R369-I371 VanDerWaalsContact C-N 3.33Å; R369-I371 PolarHBondContact O-N 3.39Å; R369-G372 PolarHBondContact O-N 3.39Å; R369-A373 PolarHBondContact NH1-O 2.87Å; R369-P374 PolarHBondContact NH1-O 2.97Å; R369-P374 PolarHBondContact NH2-O 3.23Å; R369-D375 IonicContact CZ-OD1 3.92Å; R369-D375 IonicContact NE-OD1 3.45Å; R369-D375 VanDerWaalsContact NH1-CA 3.29Å; R369-D375 IonicContact NH1-OD1 3.57Å; R369-D375 PolarHBondContact NH1-OD1 3.35Å; R369-D375 PolarHBondContact NH2-O 3.47Å; R369-L377 PolarHBondContact NH2-O 3Å
370M94.5Very high96.1Very high82 Ų8243.7 Ų43.740%0.40426%0.255SS..Hα-helixtrans-61.3-39.3-179.8-177.7-163-63.900112.3L353 F366 L367 G372L353-M370 HydrophobicContact CD1-CE 4.39Å; F366-M370 HydrophobicContact CD1-CE 3.87Å; F366-M370 HydrophobicContact CE1-CE 3.25Å; F366-M370 HydrophobicContact CZ-CE 4.06Å; F366-M370 WeakPolarHBondContact O-CB 3.19Å; F366-M370 PolarHBondContact O-N 3.39Å; L367-M370 WeakPolarHBondContact O-CB 3.42Å; L367-M370 PolarHBondContact O-N 2.87Å; L367-M370 VanDerWaalsContact O-N 3.08Å; M370-G372 VanDerWaalsContact C-N 3.28Å; M370-G372 PolarHBondContact O-N 2.91Å
371I96.9Very high95.9Very high27 Ų2747.3 Ų47.314%0.13828%0.283CS..THydrogen-bonded Turntrans-85.40.6-178.969.7174.5000113.2Y199 V201 L221 L367 L368 R369 A373Y199-I371 WeakPolarHBondContact CD1-O 3.5Å; V201-I371 HydrophobicContact CG1-CB 4.23Å; V201-I371 HydrophobicContact CG1-CD1 3.99Å; V201-I371 HydrophobicContact CG1-CG2 3.76Å; L221-I371 HydrophobicContact CD1-CD1 4.09Å; L367-I371 HydrophobicContact CD1-CG2 3.95Å; L367-I371 PolarHBondContact O-N 3.33Å; L368-I371 HydrophobicContact CD2-CD1 4.33Å; L368-I371 WeakPolarHBondContact O-CG1 3.42Å; R369-I371 VanDerWaalsContact C-N 3.33Å; R369-I371 PolarHBondContact O-N 3.39Å; I371-A373 HydrophobicContact CD1-CB 4.44Å; I371-A373 HydrophobicContact CG1-CB 4.16Å
372G97.2Very high95.6Very high54 Ų5448.3 Ų48.356%0.55727%0.274SS*.THydrogen-bonded Turntrans73.326.6-178.400000114.3Y199 L368 R369 M370Y199-G372 WeakPolarHBondContact CE1-O 3.16Å; L368-G372 PolarHBondContact O-N 3.17Å; R369-G372 PolarHBondContact O-N 3.39Å; M370-G372 VanDerWaalsContact C-N 3.28Å; M370-G372 PolarHBondContact O-N 2.91Å
373A97.5Very high95.4Very high5 Ų546.3 Ų46.34%0.04126%0.264CS..  trans-6315617400000111.3L221 L368 R369 I371 L377L221-A373 HydrophobicContact CD2-CB 3.75Å; L368-A373 HydrophobicContact CB-CB 4.08Å; L368-A373 HydrophobicContact CD2-CB 3.92Å; L368-A373 VanDerWaalsContact O-CB 3.25Å; L368-A373 WeakPolarHBondContact O-CB 3.36Å; L368-A373 PolarHBondContact O-N 3.48Å; R369-A373 PolarHBondContact NH1-O 2.87Å; I371-A373 HydrophobicContact CD1-CB 4.44Å; I371-A373 HydrophobicContact CG1-CB 4.16Å; A373-L377 HydrophobicContact CB-CD2 4.42Å
374P96Very high94.8Very high61 Ų6147.5 Ų47.540%0.39627%0.271SS..  trans-55.2141.6177.5-24.635.2000112.3R369 S376 L377R369-P374 PolarHBondContact NH1-O 2.97Å; R369-P374 PolarHBondContact NH2-O 3.23Å; P374-S376 VanDerWaalsContact C-N 3.25Å; P374-S376 PolarHBondContact O-N 2.87Å; P374-L377 HydrophobicContact CB-CB 4.48Å; P374-L377 WeakPolarHBondContact O-CB 3.38Å; P374-L377 PolarHBondContact O-N 2.93Å
375D93.9Very high94.3Very high126 Ų12650.2 Ų50.267%0.67428%0.281SS*.THydrogen-bonded Turntrans-61.4-31.4-176.2-71.5-35000114.4R369 L377R369-D375 IonicContact CZ-OD1 3.92Å; R369-D375 IonicContact NE-OD1 3.45Å; R369-D375 VanDerWaalsContact NH1-CA 3.29Å; R369-D375 IonicContact NH1-OD1 3.57Å; R369-D375 PolarHBondContact NH1-OD1 3.35Å; R369-D375 PolarHBondContact NH2-O 3.47Å; D375-L377 VanDerWaalsContact C-N 3.28Å; D375-L377 PolarHBondContact O-N 3.1Å
376S93.6Very high93.9Very high111 Ų11149.8 Ų49.878%0.77628%0.278SS*.THydrogen-bonded Turntrans-70.4-20.8174.356.10000113.7P374 K378P374-S376 VanDerWaalsContact C-N 3.25Å; P374-S376 PolarHBondContact O-N 2.87Å; S376-K378 PolarHBondContact O-N 3.33Å
377L95.8Very high93.6Very high16 Ų1653 Ų538%0.08430%0.302CS..  trans-77.7122.5-178.4-173.362.4000110.5T217 V220 L221 P228 L368 R369 A373 P374 D375T217-L377 HydrophobicContact CG2-CD2 4.01Å; T217-L377 HydrophobicContact CG2-CG 4.33Å; V220-L377 HydrophobicContact CG1-CD1 4.01Å; L221-L377 HydrophobicContact CD1-CD2 4.47Å; L221-L377 HydrophobicContact CD2-CD2 3.46Å; L221-L377 VanDerWaalsContact CD2-CD2 3.46Å; L221-L377 HydrophobicContact CG-CD2 3.73Å; P228-L377 HydrophobicContact CG-CD1 4.19Å; L368-L377 HydrophobicContact CD2-CD2 4.36Å; R369-L377 PolarHBondContact NH2-O 3Å; A373-L377 HydrophobicContact CB-CD2 4.42Å; P374-L377 HydrophobicContact CB-CB 4.48Å; P374-L377 WeakPolarHBondContact O-CB 3.38Å; P374-L377 PolarHBondContact O-N 2.93Å; D375-L377 VanDerWaalsContact C-N 3.28Å; D375-L377 PolarHBondContact O-N 3.1Å
378K95.7Very high93.3Very high102 Ų10262.6 Ų62.644%0.44334%0.344SS..  trans-125.7149.8174.8-59.1-66.3176.1175.60109N365 S376N365-K378 WeakPolarHBondContact OD1-CD 3.19Å; N365-K378 PolarHBondContact OD1-NZ 3.48Å; S376-K378 PolarHBondContact O-N 3.33Å
379L96.3Very high93.1Very high21 Ų2164.8 Ų64.811%0.1136%0.355CS..  trans-67130.5171.8-169.582.6000109N213 W214 T217 M360 S364N213-L379 HydrophobicContact CB-CD1 4.3Å; N213-L379 HydrophobicContact CB-CG 4.29Å; W214-L379 HydrophobicContact CD2-CD1 3.57Å; W214-L379 HydrophobicContact CE3-CD1 3.74Å; W214-L379 HydrophobicContact CG-CD1 4.01Å; W214-L379 HydrophobicContact CH2-CD1 4.18Å; W214-L379 HydrophobicContact CZ2-CD1 4.03Å; W214-L379 HydrophobicContact CZ2-CD2 4.14Å; W214-L379 HydrophobicContact CZ3-CD1 4.05Å; T217-L379 WeakPolarHBondContact OG1-CD1 3.47Å; M360-L379 HydrophobicContact CE-CD2 4.44Å; M360-L379 HydrophobicContact CG-CD2 3.29Å; M360-L379 HydrophobicContact SD-CD2 3.27Å; M360-L379 WeakPolarHBondContact SD-CD2 3.33Å; S364-L379 WeakPolarHBondContact OG-CB 3.5Å
380P94.8Very high92.9Very high15 Ų1567 Ų6710%0.09737%0.374CS..  trans-63.7147.5178.3-22.132.1000112.6N213 T217 P228 F382N213-P380 HydrophobicContact CB-CB 4.39Å; N213-P380 PolarHBondContact ND2-O 3.5Å; T217-P380 WeakPolarHBondContact OG1-CD 3.35Å; P228-P380 HydrophobicContact CB-CB 4.4Å; P228-P380 HydrophobicContact CB-CG 3.16Å; P228-P380 HydrophobicContact CG-CG 3.67Å; P380-F382 HydrophobicContact CB-CD1 3.62Å; P380-F382 HydrophobicContact CB-CE1 3.44Å; P380-F382 VanDerWaalsContact CB-CE1 3.44Å; P380-F382 HydrophobicContact CB-CZ 4.47Å; P380-F382 HydrophobicContact CG-CE1 4.16Å
381S91.3Very high92.9Very high101 Ų10168.9 Ų68.971%0.70638%0.377SS*.  trans-112.79.3-179.266.70000113.4R391S381-R391 PolarHBondContact O-NH1 3.34Å; S381-R391 VanDerWaalsContact O-NH1 3.09Å; S381-R391 PolarHBondContact O-NH2 3.45Å
382F89.8Confident92.9Very high69 Ų6968.1 Ų68.130%0.30337%0.374SS..SBendtrans-82.5159.5175.569.2-93.7000112.1N213 D229 P380 R391N213-F382 PolarHBondContact ND2-O 2.88Å; N213-F382 VanDerWaalsContact ND2-O 3.13Å; D229-F382 WeakPolarHBondContact OD1-CE1 3.39Å; P380-F382 HydrophobicContact CB-CD1 3.62Å; P380-F382 HydrophobicContact CB-CE1 3.44Å; P380-F382 VanDerWaalsContact CB-CE1 3.44Å; P380-F382 HydrophobicContact CB-CZ 4.47Å; P380-F382 HydrophobicContact CG-CE1 4.16Å; F382-R391 PolarHBondContact O-NH2 3.46Å
383K90.1Very high92.9Very high49 Ų4967.4 Ų67.421%0.21336%0.36CS..  trans-93.5117178.3-179.9175.5177.5174.20108.2R385 N386 D389 V390 R391K383-R385 WeakPolarHBondContact CE-O 3.26Å; K383-R385 WeakPolarHBondContact CG-O 3.44Å; K383-N386 WeakPolarHBondContact CD-O 3.03Å; K383-N386 WeakPolarHBondContact CE-O 2.85Å; K383-D389 VanDerWaalsContact CD-O 3.25Å; K383-D389 WeakPolarHBondContact CD-O 3.16Å; K383-D389 PolarHBondContact NZ-O 2.96Å; K383-V390 PolarHBondContact NZ-O 3Å; K383-R391 HydrophobicContact CD-CG 4.5Å; K383-R391 VanDerWaalsContact N-NH2 3.17Å
384D86.1Confident92.8Very high29 Ų2972.5 Ų72.516%0.15538%0.381CS..SBendtrans-66.3-65.4-174.8-174.819.5000112.5S212 R216 H233 H237S212-D384 WeakPolarHBondContact CB-OD2 3.23Å; S212-D384 PolarHBondContact OG-OD2 3.17Å; R216-D384 IonicContact CZ-OD1 3.83Å; R216-D384 IonicContact CZ-OD2 2.78Å; R216-D384 IonicContact NH1-OD1 2.84Å; R216-D384 PolarHBondContact NH1-OD1 3.4Å; R216-D384 IonicContact NH1-OD2 3.99Å; R216-D384 PolarHBondContact NH1-OD2 3.46Å; R216-D384 VanDerWaalsContact NH2-CG 3.26Å; R216-D384 IonicContact NH2-OD1 3.76Å; R216-D384 PolarHBondContact NH2-OD1 2.96Å; R216-D384 IonicContact NH2-OD2 3.3Å; R216-D384 PolarHBondContact NH2-OD2 3.27Å; H233-D384 WeakPolarHBondContact CB-OD1 2.98Å; H233-D384 IonicContact CE1-OD2 3.91Å; H233-D384 IonicContact CG-OD1 3.98Å; H233-D384 IonicContact CG-OD2 3.35Å; H233-D384 IonicContact ND1-OD1 2.83Å; H233-D384 IonicContact ND1-OD2 3.31Å; H233-D384 PolarHBondContact ND1-OD2 3.36Å; H237-D384 IonicContact NE2-OD2 3.92Å
385R86.2Confident92.9Very high57 Ų5774.8 Ų74.822%0.21539%0.387CS..SBendtrans-91.8137-180-171.5164.5177.7158.44.1111.3D279 N285 K383D279-R385 VanDerWaalsContact OD1-CD 3.27Å; D279-R385 WeakPolarHBondContact OD1-CD 3.32Å; D279-R385 IonicContact OD1-NE 2.64Å; N285-R385 PolarHBondContact ND2-NH2 3Å; K383-R385 WeakPolarHBondContact CE-O 3.26Å; K383-R385 WeakPolarHBondContact CG-O 3.44Å
386N89.8Confident93.1Very high36 Ų3669.3 Ų69.319%0.19336%0.357CS..SBendtrans51.163.3-176.5-47.6-31.5000111.3N283 K383 K388 D389N283-N386 WeakPolarHBondContact CB-ND2 3.36Å; N283-N386 VanDerWaalsContact CG-CG 3.47Å; N283-N386 VanDerWaalsContact CG-ND2 3.29Å; N283-N386 PolarHBondContact ND2-ND2 3.45Å; K383-N386 WeakPolarHBondContact CD-O 3.03Å; K383-N386 WeakPolarHBondContact CE-O 2.85Å; N386-K388 PolarHBondContact O-N 3.4Å; N386-K388 VanDerWaalsContact O-N 3.16Å; N386-D389 HydrophobicContact CB-CB 4.34Å; N386-D389 WeakPolarHBondContact CB-OD2 3.42Å; N386-D389 WeakPolarHBondContact O-CB 3.38Å; N386-D389 PolarHBondContact O-N 2.9Å; N386-D389 VanDerWaalsContact O-N 3.08Å
387P89.8Confident93.3Very high95 Ų9564.2 Ų64.262%0.61732%0.321SS*.THydrogen-bonded Turntrans-63.6-24-169.623.9-34.7000114D389P387-D389 VanDerWaalsContact C-N 3.31Å
388K90.8Very high93.4Very high205 Ų20566.9 Ų66.989%0.89133%0.333SS*.THydrogen-bonded Turntrans-74.3-21.2177.9-62.4-176.9179.9-179.40113.2N386N386-K388 PolarHBondContact O-N 3.4Å; N386-K388 VanDerWaalsContact O-N 3.16Å
389D92Very high93.5Very high47 Ų4769.5 Ų69.525%0.25134%0.341SS..SBendtrans-78.2137.8-178.9-71.2-6.7000110.6N283 K383 N386 P387N283-D389 PolarHBondContact ND2-OD2 3.42Å; K383-D389 VanDerWaalsContact CD-O 3.25Å; K383-D389 WeakPolarHBondContact CD-O 3.16Å; K383-D389 PolarHBondContact NZ-O 2.96Å; N386-D389 HydrophobicContact CB-CB 4.34Å; N386-D389 WeakPolarHBondContact CB-OD2 3.42Å; N386-D389 WeakPolarHBondContact O-CB 3.38Å; N386-D389 PolarHBondContact O-N 2.9Å; N386-D389 VanDerWaalsContact O-N 3.08Å; P387-D389 VanDerWaalsContact C-N 3.31Å
390V94.1Very high93.6Very high98 Ų9870 Ų7059%0.59434%0.341SS*.PPolyproline II helixtrans-56.8142.9170.5-63.80000111.5R278 K383 I396R278-V390 PolarHBondContact NH1-O 2.91Å; R278-V390 VanDerWaalsContact NH1-O 3.12Å; R278-V390 PolarHBondContact NH2-O 2.94Å; K383-V390 PolarHBondContact NZ-O 3Å; V390-I396 HydrophobicContact CG2-CD1 3.78Å
391R94.4Very high93.7Very high123 Ų12369.3 Ų69.346%0.46434%0.337SS..PPolyproline II helixtrans-62.1142.6173.2-74.5-171.9164.3954.5110S381 F382 K383 S393 I396S381-R391 PolarHBondContact O-NH1 3.34Å; S381-R391 VanDerWaalsContact O-NH1 3.09Å; S381-R391 PolarHBondContact O-NH2 3.45Å; F382-R391 PolarHBondContact O-NH2 3.46Å; K383-R391 HydrophobicContact CD-CG 4.5Å; K383-R391 VanDerWaalsContact N-NH2 3.17Å; R391-S393 PolarHBondContact O-N 3.47Å; R391-I396 WeakPolarHBondContact O-CD1 3.4Å
392T96.6Very high94Very high11 Ų1168.4 Ų68.47%0.06733%0.33CS..PPolyproline II helixtrans-59.4127.3170.2-57.40000108.7R267 V274 S275 R278 I396R267-T392 PolarHBondContact NH2-O 3.28Å; V274-T392 HydrophobicContact CB-CG2 4.02Å; V274-T392 HydrophobicContact CG1-CG2 3.65Å; S275-T392 WeakPolarHBondContact CA-OG1 3.36Å; R278-T392 PolarHBondContact NH1-OG1 2.98Å; R278-T392 VanDerWaalsContact NH1-OG1 3.13Å; T392-I396 HydrophobicContact CG2-CG2 4.29Å
393S95.9Very high94.4Very high38 Ų3869.8 Ų69.827%0.26634%0.338SS..  trans-120.5172.1173.1720000109.1R391 E395 I396 T397R391-S393 PolarHBondContact O-N 3.47Å; S393-E395 VanDerWaalsContact C-N 3.27Å; S393-E395 WeakPolarHBondContact CB-OE2 3.37Å; S393-E395 PolarHBondContact O-N 2.95Å; S393-E395 PolarHBondContact OG-OE2 3.29Å; S393-I396 WeakPolarHBondContact O-CB 3.35Å; S393-I396 PolarHBondContact O-N 3.47Å; S393-I396 VanDerWaalsContact O-N 3.13Å; S393-I396 PolarHBondContact OG-N 3.44Å; S393-T397 PolarHBondContact O-N 3.45Å; S393-T397 PolarHBondContact O-OG1 3.07Å
394K95.9Very high94.7Very high113 Ų11368 Ų6849%0.49133%0.33SS..Hα-helixtrans-54.7-43.9175.6-172.4-172.3179.5-153.20112I396 T397 E398K394-I396 VanDerWaalsContact C-N 3.3Å; K394-I396 PolarHBondContact O-N 2.89Å; K394-T397 WeakPolarHBondContact O-CB 3.34Å; K394-T397 PolarHBondContact O-N 3.29Å; K394-T397 VanDerWaalsContact O-N 3.11Å; K394-E398 WeakPolarHBondContact CE-OE1 3.35Å; K394-E398 IonicContact NZ-OE1 3.86Å; K394-E398 PolarHBondContact NZ-OE1 2.97Å; K394-E398 WeakPolarHBondContact O-CG 3.26Å; K394-E398 PolarHBondContact O-N 2.96Å
395E97.2Very high95.2Very high109 Ų10969 Ų6951%0.50934%0.34SS..Hα-helixtrans-67.2-32.9-178.6-53.570.9-150.500111.6S393 R399S393-E395 VanDerWaalsContact C-N 3.27Å; S393-E395 WeakPolarHBondContact CB-OE2 3.37Å; S393-E395 PolarHBondContact O-N 2.95Å; S393-E395 PolarHBondContact OG-OE2 3.29Å; E395-R399 WeakPolarHBondContact O-CG 3.46Å; E395-R399 PolarHBondContact O-N 3.31Å; E395-R399 PolarHBondContact O-NE 3.25Å
396I98.1Very high95.7Very high11 Ų1170.2 Ų70.26%0.05635%0.35CS..Hα-helixtrans-67.1-48.1172-71.6165000109.2V274 V390 R391 T392 S393 K394 E398 R399 Y400V274-I396 HydrophobicContact CG1-CG2 4.2Å; V390-I396 HydrophobicContact CG2-CD1 3.78Å; R391-I396 WeakPolarHBondContact O-CD1 3.4Å; T392-I396 HydrophobicContact CG2-CG2 4.29Å; S393-I396 WeakPolarHBondContact O-CB 3.35Å; S393-I396 PolarHBondContact O-N 3.47Å; S393-I396 VanDerWaalsContact O-N 3.13Å; S393-I396 PolarHBondContact OG-N 3.44Å; K394-I396 VanDerWaalsContact C-N 3.3Å; K394-I396 PolarHBondContact O-N 2.89Å; I396-E398 VanDerWaalsContact C-N 3.32Å; I396-E398 PolarHBondContact O-N 3.4Å; I396-R399 WeakPolarHBondContact O-CB 3.31Å; I396-R399 PolarHBondContact O-N 2.98Å; I396-R399 VanDerWaalsContact O-N 3.12Å; I396-Y400 HydrophobicContact CG2-CD2 3.79Å; I396-Y400 HydrophobicContact CG2-CE2 3.47Å; I396-Y400 VanDerWaalsContact CG2-CE2 3.47Å; I396-Y400 WeakPolarHBondContact O-CD2 3.26Å; I396-Y400 PolarHBondContact O-N 2.96Å; I396-Y400 VanDerWaalsContact O-N 3.12Å
397T98.3Very high96Very high3 Ų374.3 Ų74.32%0.01837%0.37CS..Hα-helixtrans-57.7-44.6178.7-61.80000111.9L270 D271 V274 S393 K394 R399 Y400 F401L270-T397 HydrophobicContact CB-CG2 4.04Å; D271-T397 WeakPolarHBondContact CA-OG1 3.42Å; D271-T397 WeakPolarHBondContact OD1-CB 3.12Å; D271-T397 WeakPolarHBondContact OD1-CG2 3.5Å; D271-T397 PolarHBondContact OD1-OG1 3.19Å; V274-T397 HydrophobicContact CG2-CG2 3.99Å; S393-T397 PolarHBondContact O-N 3.45Å; S393-T397 PolarHBondContact O-OG1 3.07Å; K394-T397 WeakPolarHBondContact O-CB 3.34Å; K394-T397 PolarHBondContact O-N 3.29Å; K394-T397 VanDerWaalsContact O-N 3.11Å; T397-R399 VanDerWaalsContact C-N 3.31Å; T397-R399 PolarHBondContact O-N 3.01Å; T397-Y400 PolarHBondContact O-N 2.97Å; T397-Y400 VanDerWaalsContact O-N 3.11Å; T397-F401 HydrophobicContact CG2-CD2 3.71Å; T397-F401 HydrophobicContact CG2-CE2 3.93Å; T397-F401 WeakPolarHBondContact O-CD2 3.41Å; T397-F401 PolarHBondContact O-N 3.21Å
398E97.5Very high96.3Very high73 Ų7370.9 Ų70.934%0.34135%0.345SS..Hα-helixtrans-57.3-42.2175.6-72.1170.7173.700112K394 I396 Y400 F401 S402 F429K394-E398 WeakPolarHBondContact CE-OE1 3.35Å; K394-E398 IonicContact NZ-OE1 3.86Å; K394-E398 PolarHBondContact NZ-OE1 2.97Å; K394-E398 WeakPolarHBondContact O-CG 3.26Å; K394-E398 PolarHBondContact O-N 2.96Å; I396-E398 VanDerWaalsContact C-N 3.32Å; I396-E398 PolarHBondContact O-N 3.4Å; E398-Y400 PolarHBondContact O-N 3.46Å; E398-F401 PolarHBondContact O-N 3.47Å; E398-S402 WeakPolarHBondContact O-CB 3.44Å; E398-S402 PolarHBondContact O-N 2.95Å; E398-F429 HydrophobicContact CB-CE1 4.31Å; E398-F429 HydrophobicContact CG-CD1 4.48Å; E398-F429 HydrophobicContact CG-CE1 3.79Å
399R98Very high96.7Very high157 Ų15762.9 Ų62.959%0.59231%0.31SS*.Hα-helixtrans-67.7-27.4175.9-73.5-175.2-70.4148.4-15.3114.7E395 I396 T397 S402 Q403E395-R399 WeakPolarHBondContact O-CG 3.46Å; E395-R399 PolarHBondContact O-N 3.31Å; E395-R399 PolarHBondContact O-NE 3.25Å; I396-R399 WeakPolarHBondContact O-CB 3.31Å; I396-R399 PolarHBondContact O-N 2.98Å; I396-R399 VanDerWaalsContact O-N 3.12Å; T397-R399 VanDerWaalsContact C-N 3.31Å; T397-R399 PolarHBondContact O-N 3.01Å; R399-S402 PolarHBondContact O-OG 3.49Å; R399-Q403 PolarHBondContact O-NE2 3.4Å
400Y98.5Very high96.9Very high31 Ų3161.7 Ų61.712%0.12230%0.303CS..Hα-helixtrans-76.7-45.5171.9-79.5-77.9000110.9V274 Y277 R278 E282 F317 I396 T397 E398 S402 Q403V274-Y400 HydrophobicContact CG1-CD2 3.36Å; V274-Y400 HydrophobicContact CG1-CE2 3.77Å; V274-Y400 HydrophobicContact CG1-CG 4.03Å; V274-Y400 HydrophobicContact CG2-CD2 4.35Å; V274-Y400 HydrophobicContact CG2-CG 4.34Å; Y277-Y400 HydrophobicContact CD1-CD1 4.33Å; Y277-Y400 AromaticContact CD1-CE1 3.97Å; Y277-Y400 HydrophobicContact CD1-CE1 3.97Å; Y277-Y400 HydrophobicContact CE1-CD1 4.19Å; Y277-Y400 AromaticContact CE1-CE1 3.63Å; Y277-Y400 HydrophobicContact CE1-CE1 3.63Å; R278-Y400 HydrophobicContact CG-CE2 4.04Å; E282-Y400 VanDerWaalsContact CD-OH 3.32Å; E282-Y400 VanDerWaalsContact OE1-CZ 3.26Å; E282-Y400 PolarHBondContact OE1-OH 3.41Å; E282-Y400 PolarHBondContact OE2-OH 2.98Å; F317-Y400 HydrophobicContact CB-CD1 3.67Å; F317-Y400 HydrophobicContact CB-CE1 4.37Å; F317-Y400 HydrophobicContact CD1-CD1 4.17Å; F317-Y400 HydrophobicContact CD1-CG 4.38Å; F317-Y400 VanDerWaalsContact CD1-O 3.25Å; F317-Y400 WeakPolarHBondContact CD1-O 3.39Å; F317-Y400 AromaticContact CD2-CD1 3.92Å; F317-Y400 HydrophobicContact CD2-CD1 3.92Å; F317-Y400 HydrophobicContact CD2-CG 4.32Å; F317-Y400 WeakPolarHBondContact CE1-O 3.33Å; F317-Y400 AromaticContact CG-CD1 3.64Å; F317-Y400 HydrophobicContact CG-CD1 3.64Å; F317-Y400 HydrophobicContact CG-CG 4.19Å; I396-Y400 HydrophobicContact CG2-CD2 3.79Å; I396-Y400 HydrophobicContact CG2-CE2 3.47Å; I396-Y400 VanDerWaalsContact CG2-CE2 3.47Å; I396-Y400 WeakPolarHBondContact O-CD2 3.26Å; I396-Y400 PolarHBondContact O-N 2.96Å; I396-Y400 VanDerWaalsContact O-N 3.12Å; T397-Y400 PolarHBondContact O-N 2.97Å; T397-Y400 VanDerWaalsContact O-N 3.11Å; E398-Y400 PolarHBondContact O-N 3.46Å; Y400-S402 PolarHBondContact O-N 2.74Å; Y400-Q403 VanDerWaalsContact O-CB 3.29Å; Y400-Q403 WeakPolarHBondContact O-CB 3.5Å; Y400-Q403 PolarHBondContact O-N 3.35Å
401F98Very high97.1Very high1 Ų163 Ų630%0.00430%0.297CS..Hα-helixtrans-72.4-14.4-179.9-81.5-79.1000113.9L270 V274 F317 T397 E398 Q403 V404 R409 A412 F429L270-F401 HydrophobicContact CB-CD2 4.49Å; L270-F401 HydrophobicContact CB-CE2 3.72Å; L270-F401 HydrophobicContact CB-CZ 4.11Å; L270-F401 HydrophobicContact CD1-CE1 4.32Å; L270-F401 HydrophobicContact CD1-CE2 4.09Å; L270-F401 HydrophobicContact CD1-CZ 4Å; L270-F401 HydrophobicContact CD2-CE1 4.36Å; L270-F401 HydrophobicContact CD2-CE2 4.22Å; L270-F401 HydrophobicContact CD2-CZ 3.68Å; L270-F401 HydrophobicContact CG-CE2 4.19Å; L270-F401 HydrophobicContact CG-CZ 4.11Å; V274-F401 HydrophobicContact CG2-CD2 4.15Å; V274-F401 HydrophobicContact CG2-CE2 3.72Å; F317-F401 HydrophobicContact CE1-CD1 4.19Å; F317-F401 HydrophobicContact CE1-CD2 4.26Å; F317-F401 HydrophobicContact CE1-CE1 4.19Å; F317-F401 HydrophobicContact CE1-CE2 4.26Å; F317-F401 HydrophobicContact CE1-CG 4.22Å; F317-F401 HydrophobicContact CE1-CZ 4.21Å; F317-F401 HydrophobicContact CZ-CD1 4.48Å; F317-F401 HydrophobicContact CZ-CD2 4.14Å; F317-F401 HydrophobicContact CZ-CE1 4.1Å; F317-F401 AromaticContact CZ-CE2 3.73Å; F317-F401 HydrophobicContact CZ-CE2 3.73Å; F317-F401 HydrophobicContact CZ-CG 4.49Å; F317-F401 AromaticContact CZ-CZ 3.69Å; F317-F401 HydrophobicContact CZ-CZ 3.69Å; T397-F401 HydrophobicContact CG2-CD2 3.71Å; T397-F401 HydrophobicContact CG2-CE2 3.93Å; T397-F401 WeakPolarHBondContact O-CD2 3.41Å; T397-F401 PolarHBondContact O-N 3.21Å; E398-F401 PolarHBondContact O-N 3.47Å; F401-Q403 PolarHBondContact O-N 3.33Å; F401-V404 HydrophobicContact CD1-CG2 3.84Å; F401-V404 WeakPolarHBondContact O-CG2 3.32Å; F401-V404 PolarHBondContact O-N 2.94Å; F401-R409 HydrophobicContact CD1-CG 4.02Å; F401-R409 PolarHBondContact O-NE 2.99Å; F401-R409 PolarHBondContact O-NH2 3.34Å; F401-A412 HydrophobicContact CE1-CB 3.93Å; F401-F429 HydrophobicContact CB-CE1 4.14Å; F401-F429 HydrophobicContact CB-CE2 4.11Å; F401-F429 HydrophobicContact CB-CZ 3.48Å; F401-F429 VanDerWaalsContact CB-CZ 3.48Å; F401-F429 HydrophobicContact CD2-CE2 4.32Å; F401-F429 AromaticContact CD2-CZ 4Å; F401-F429 HydrophobicContact CD2-CZ 4Å; F401-F429 HydrophobicContact CG-CE2 4.09Å; F401-F429 AromaticContact CG-CZ 3.83Å; F401-F429 HydrophobicContact CG-CZ 3.83Å
402S96.9Very high97.3Very high81 Ų8157.2 Ų57.257%0.56628%0.275SS*.THydrogen-bonded Turntrans-68.7-16.4167.471.90000113.3E398 R399 Y400E398-S402 WeakPolarHBondContact O-CB 3.44Å; E398-S402 PolarHBondContact O-N 2.95Å; R399-S402 PolarHBondContact O-OG 3.49Å; Y400-S402 PolarHBondContact O-N 2.74Å
403Q97.3Very high97.4Very high99 Ų9957.2 Ų57.246%0.46327%0.274SS..THydrogen-bonded Turntrans-86.3-9.9179.4-56170.140.600113.2R399 Y400 F401R399-Q403 PolarHBondContact O-NE2 3.4Å; Y400-Q403 VanDerWaalsContact O-CB 3.29Å; Y400-Q403 WeakPolarHBondContact O-CB 3.5Å; Y400-Q403 PolarHBondContact O-N 3.35Å; F401-Q403 PolarHBondContact O-N 3.33Å
404V97.3Very high97.5Very high10 Ų1057.7 Ų57.76%0.06127%0.274CS..SBendtrans-111.1156.3179.2-55.60000110.8F317 K318 V321 F401 E408 R409F317-V404 HydrophobicContact CD1-CG1 4.16Å; F317-V404 HydrophobicContact CE1-CG1 4.3Å; K318-V404 HydrophobicContact CB-CG1 4.15Å; K318-V404 HydrophobicContact CG-CG1 4.23Å; V321-V404 HydrophobicContact CB-CG1 4.19Å; V321-V404 HydrophobicContact CG1-CG1 4.38Å; V321-V404 HydrophobicContact CG2-CG1 4.15Å; F401-V404 HydrophobicContact CD1-CG2 3.84Å; F401-V404 WeakPolarHBondContact O-CG2 3.32Å; F401-V404 PolarHBondContact O-N 2.94Å; V404-E408 HydrophobicContact CB-CB 3.98Å; V404-E408 HydrophobicContact CG2-CB 4.22Å; V404-R409 HydrophobicContact CG2-CB 4.36Å
405S96.7Very high97.6Very high51 Ų5154.5 Ų54.536%0.35726%0.26SS..  trans-64.6157178.463.20000111.9M407 E408 R409S405-M407 PolarHBondContact O-N 3.09Å; S405-E408 WeakPolarHBondContact CB-OE2 3.36Å; S405-E408 PolarHBondContact N-OE2 2.93Å; S405-E408 PolarHBondContact O-N 3.43Å; S405-E408 VanDerWaalsContact O-N 3.08Å; S405-E408 WeakPolarHBondContact OG-CB 3.4Å; S405-E408 VanDerWaalsContact OG-CD 3.31Å; S405-E408 VanDerWaalsContact OG-CG 3.25Å; S405-E408 WeakPolarHBondContact OG-CG 3.41Å; S405-E408 PolarHBondContact OG-N 3.4Å; S405-E408 VanDerWaalsContact OG-N 3.14Å; S405-E408 PolarHBondContact OG-OE2 3.34Å; S405-R409 PolarHBondContact O-N 3.49Å
406L95.9Very high97.6Very high82 Ų8249.4 Ų49.443%0.42924%0.236SC..Hα-helixtrans-54.9-38.4173.6-175.9146.4000111.7R409 Q410 D431 Y433L406-R409 PolarHBondContact O-N 3.05Å; L406-Q410 WeakPolarHBondContact O-CB 3.48Å; L406-Q410 PolarHBondContact O-N 3.29Å; L406-D431 HydrophobicContact CD1-CB 4.02Å; L406-Y433 HydrophobicContact CD2-CE2 4.14Å
407M96.4Very high97.6Very high122 Ų12250.4 Ų50.460%0.60124%0.239SC*.Hα-helixtrans-65.4-43.7175.9-174.2-177.865.800112.4S405 R409 Q410 R411S405-M407 PolarHBondContact O-N 3.09Å; M407-R409 VanDerWaalsContact C-N 3.33Å; M407-Q410 PolarHBondContact O-N 3.47Å; M407-R411 WeakPolarHBondContact O-CB 3.36Å; M407-R411 VanDerWaalsContact O-CG 3.29Å; M407-R411 WeakPolarHBondContact O-CG 3.46Å; M407-R411 PolarHBondContact O-N 2.94Å
408E97.3Very high97.5Very high23 Ų2352.1 Ų52.111%0.10725%0.248CC..Hα-helixtrans-63.6-40.5175.6-75.7162.5141.200111.1V321 Q322 L325 V404 S405 R411 A412V321-E408 HydrophobicContact CG1-CB 4.19Å; Q322-E408 WeakPolarHBondContact CG-OE1 3.47Å; Q322-E408 PolarHBondContact NE2-OE1 3.08Å; L325-E408 HydrophobicContact CD1-CB 4.41Å; V404-E408 HydrophobicContact CB-CB 3.98Å; V404-E408 HydrophobicContact CG2-CB 4.22Å; S405-E408 WeakPolarHBondContact CB-OE2 3.36Å; S405-E408 PolarHBondContact N-OE2 2.93Å; S405-E408 PolarHBondContact O-N 3.43Å; S405-E408 VanDerWaalsContact O-N 3.08Å; S405-E408 WeakPolarHBondContact OG-CB 3.4Å; S405-E408 VanDerWaalsContact OG-CD 3.31Å; S405-E408 VanDerWaalsContact OG-CG 3.25Å; S405-E408 WeakPolarHBondContact OG-CG 3.41Å; S405-E408 PolarHBondContact OG-N 3.4Å; S405-E408 VanDerWaalsContact OG-N 3.14Å; S405-E408 PolarHBondContact OG-OE2 3.34Å; E408-R411 PolarHBondContact O-N 3.48Å; E408-A412 WeakPolarHBondContact O-CB 3.26Å; E408-A412 PolarHBondContact O-N 3.25Å
409R97.4Very high97.5Very high37 Ų3748.7 Ų48.714%0.1423%0.231CC..Hα-helixtrans-62.6-46.8175.9-167-175.5-561771.1112.1F401 V404 S405 L406 M407 R411 A412 Y413 F429 D431 L432F401-R409 HydrophobicContact CD1-CG 4.02Å; F401-R409 PolarHBondContact O-NE 2.99Å; F401-R409 PolarHBondContact O-NH2 3.34Å; V404-R409 HydrophobicContact CG2-CB 4.36Å; S405-R409 PolarHBondContact O-N 3.49Å; L406-R409 PolarHBondContact O-N 3.05Å; M407-R409 VanDerWaalsContact C-N 3.33Å; R409-R411 VanDerWaalsContact C-N 3.34Å; R409-R411 PolarHBondContact O-N 2.91Å; R409-A412 PolarHBondContact O-N 3.2Å; R409-Y413 PolarHBondContact O-N 3.36Å; R409-F429 HydrophobicContact CG-CD2 3.94Å; R409-F429 HydrophobicContact CG-CE2 4.01Å; R409-D431 IonicContact CZ-OD2 2.71Å; R409-D431 IonicContact NH1-OD1 3.92Å; R409-D431 IonicContact NH1-OD2 2.7Å; R409-D431 PolarHBondContact NH1-OD2 2.97Å; R409-L432 HydrophobicContact CG-CD2 4.3Å
410Q97.8Very high97.5Very high23 Ų2341.3 Ų41.311%0.10720%0.204CC..Hα-helixtrans-59.3-45.8174.1-178.166.150.800111.2L406 M407 A412 Y413 D414 L432L406-Q410 WeakPolarHBondContact O-CB 3.48Å; L406-Q410 PolarHBondContact O-N 3.29Å; M407-Q410 PolarHBondContact O-N 3.47Å; Q410-A412 VanDerWaalsContact C-N 3.31Å; Q410-A412 PolarHBondContact O-N 2.87Å; Q410-Y413 WeakPolarHBondContact O-CB 3.44Å; Q410-Y413 PolarHBondContact O-N 3.45Å; Q410-D414 PolarHBondContact NE2-OD1 2.97Å; Q410-D414 VanDerWaalsContact O-CG 3.24Å; Q410-D414 PolarHBondContact O-N 3.33Å; Q410-L432 HydrophobicContact CB-CD2 4.29Å; Q410-L432 VanDerWaalsContact OE1-CA 3.31Å
411R98Very high97.4Very high125 Ų12540.7 Ų40.747%0.47220%0.202SC..Hα-helixtrans-65.4-33.8179.2-73.7-178.268.3176.4-2.2112.6L325 M407 E408 R409 D414 F415L325-R411 HydrophobicContact CD1-CB 3.7Å; L325-R411 HydrophobicContact CD2-CB 4.02Å; L325-R411 WeakPolarHBondContact CD2-O 3.29Å; L325-R411 HydrophobicContact CG-CB 4.46Å; L325-R411 PolarHBondContact O-NH2 2.9Å; M407-R411 WeakPolarHBondContact O-CB 3.36Å; M407-R411 VanDerWaalsContact O-CG 3.29Å; M407-R411 WeakPolarHBondContact O-CG 3.46Å; M407-R411 PolarHBondContact O-N 2.94Å; E408-R411 PolarHBondContact O-N 3.48Å; R409-R411 VanDerWaalsContact C-N 3.34Å; R409-R411 PolarHBondContact O-N 2.91Å; R411-D414 PolarHBondContact O-N 2.87Å; R411-F415 VanDerWaalsContact O-CB 3.3Å; R411-F415 WeakPolarHBondContact O-CB 3.2Å; R411-F415 PolarHBondContact O-N 3.48Å
412A98.3Very high97.3Very high1 Ų140.7 Ų40.71%0.00820%0.202CC..Hα-helixtrans-65.9-43.5172.700000111.4L270 F401 E408 R409 Q410 F415 Y416L270-A412 HydrophobicContact CD2-CB 4.25Å; F401-A412 HydrophobicContact CE1-CB 3.93Å; E408-A412 WeakPolarHBondContact O-CB 3.26Å; E408-A412 PolarHBondContact O-N 3.25Å; R409-A412 PolarHBondContact O-N 3.2Å; Q410-A412 VanDerWaalsContact C-N 3.31Å; Q410-A412 PolarHBondContact O-N 2.87Å; A412-F415 WeakPolarHBondContact O-CB 3.35Å; A412-F415 PolarHBondContact O-N 2.94Å; A412-Y416 VanDerWaalsContact O-CD2 3.32Å; A412-Y416 WeakPolarHBondContact O-CD2 3.25Å; A412-Y416 PolarHBondContact O-N 2.72Å
413Y98.3Very high97.3Very high12 Ų1237 Ų375%0.04718%0.176CC..Hα-helixtrans-58.7-49.7171.8173.8-102.8000111.6R409 Q410 F415 Y416 Y417 Y420 K427 P428 L432R409-Y413 PolarHBondContact O-N 3.36Å; Q410-Y413 WeakPolarHBondContact O-CB 3.44Å; Q410-Y413 PolarHBondContact O-N 3.45Å; Y413-F415 VanDerWaalsContact C-N 3.26Å; Y413-F415 PolarHBondContact O-N 2.92Å; Y413-Y416 CarbonylContact O-C 3.57Å; Y413-Y416 PolarHBondContact O-N 2.86Å; Y413-Y417 HydrophobicContact CD1-CD2 4.45Å; Y413-Y417 AromaticContact CE1-CD2 3.59Å; Y413-Y417 HydrophobicContact CE1-CD2 3.59Å; Y413-Y417 AromaticContact CE1-CE2 3.98Å; Y413-Y417 HydrophobicContact CE1-CE2 3.98Å; Y413-Y417 AromaticContact CZ-CD2 3.64Å; Y413-Y417 AromaticContact CZ-CE2 3.95Å; Y413-Y417 WeakPolarHBondContact O-CA 3.49Å; Y413-Y417 PolarHBondContact O-N 3.45Å; Y413-Y417 WeakPolarHBondContact OH-CD2 3.46Å; Y413-Y417 WeakPolarHBondContact OH-CE2 3.49Å; Y413-Y420 AromaticContact CD2-CD2 3.75Å; Y413-Y420 HydrophobicContact CD2-CD2 3.75Å; Y413-Y420 AromaticContact CD2-CE2 3.53Å; Y413-Y420 HydrophobicContact CD2-CE2 3.53Å; Y413-Y420 HydrophobicContact CD2-CG 4.33Å; Y413-Y420 AromaticContact CD2-CZ 3.96Å; Y413-Y420 HydrophobicContact CE2-CD1 4.03Å; Y413-Y420 AromaticContact CE2-CD2 3.58Å; Y413-Y420 HydrophobicContact CE2-CD2 3.58Å; Y413-Y420 HydrophobicContact CE2-CE1 4.25Å; Y413-Y420 AromaticContact CE2-CE2 3.79Å; Y413-Y420 HydrophobicContact CE2-CE2 3.79Å; Y413-Y420 AromaticContact CE2-CG 3.72Å; Y413-Y420 HydrophobicContact CE2-CG 3.72Å; Y413-K427 HydrophobicContact CE2-CG 4.2Å; Y413-P428 HydrophobicContact CD2-CG 4.34Å; Y413-L432 HydrophobicContact CD1-CD1 4.42Å; Y413-L432 HydrophobicContact CD2-CD1 3.78Å; Y413-L432 HydrophobicContact CE2-CD1 4.41Å; Y413-L432 HydrophobicContact CG-CD1 3.77Å; Y413-L432 HydrophobicContact CG-CD2 4.41Å
414D97.8Very high97.3Very high47 Ų4735.7 Ų35.725%0.25117%0.172SC..Hα-helixtrans-58.7-38.4178.5-67.1-12.6000111.9Q410 R411 Y416 Y417Q410-D414 PolarHBondContact NE2-OD1 2.97Å; Q410-D414 VanDerWaalsContact O-CG 3.24Å; Q410-D414 PolarHBondContact O-N 3.33Å; R411-D414 PolarHBondContact O-N 2.87Å; D414-Y416 VanDerWaalsContact C-N 3.28Å; D414-Y416 PolarHBondContact O-N 3.22Å; D414-Y417 VanDerWaalsContact O-CB 3.3Å; D414-Y417 WeakPolarHBondContact O-CB 3.44Å; D414-Y417 PolarHBondContact O-N 2.94Å
415F98.1Very high97.3Very high47 Ų4736.3 Ų36.321%0.20617%0.174CC..Hα-helixtrans-62-34.1177.5-175.3-90.3000112.5L324 L325 M333 Q339 R411 A412 Y413L324-F415 HydrophobicContact CD1-CD1 4.39Å; L324-F415 HydrophobicContact CD1-CE1 3.72Å; L324-F415 HydrophobicContact CD1-CZ 3.91Å; L324-F415 HydrophobicContact CG-CD1 4.5Å; L324-F415 HydrophobicContact CG-CE1 4.27Å; L325-F415 HydrophobicContact CD2-CB 4.12Å; L325-F415 HydrophobicContact CD2-CG 4.49Å; M333-F415 HydrophobicContact CE-CE1 4.09Å; M333-F415 HydrophobicContact CE-CZ 3.73Å; M333-F415 HydrophobicContact SD-CZ 4.16Å; Q339-F415 HydrophobicContact CG-CE1 4.49Å; Q339-F415 PolarHBondContact NE2-O 3.45Å; R411-F415 VanDerWaalsContact O-CB 3.3Å; R411-F415 WeakPolarHBondContact O-CB 3.2Å; R411-F415 PolarHBondContact O-N 3.48Å; A412-F415 WeakPolarHBondContact O-CB 3.35Å; A412-F415 PolarHBondContact O-N 2.94Å; Y413-F415 VanDerWaalsContact C-N 3.26Å; Y413-F415 PolarHBondContact O-N 2.92Å
416Y98.3Very high97.2Very high1 Ų137.3 Ų37.30%0.00418%0.18CC..Hα-helixtrans-102.79.1175.6-65.2-75.5000113.8P269 L270 V273 L324 W337 Q339 A412 Y413 D414 M418 D419 Y420P269-Y416 HydrophobicContact CB-CD1 4.44Å; P269-Y416 HydrophobicContact CB-CG 4.07Å; L270-Y416 HydrophobicContact CD2-CD2 4.01Å; L270-Y416 HydrophobicContact CD2-CE2 4.44Å; V273-Y416 HydrophobicContact CG2-CD2 4.23Å; V273-Y416 HydrophobicContact CG2-CE1 4.26Å; V273-Y416 HydrophobicContact CG2-CE2 3.33Å; V273-Y416 VanDerWaalsContact CG2-OH 3.24Å; V273-Y416 WeakPolarHBondContact CG2-OH 3.35Å; L324-Y416 HydrophobicContact CD2-CE2 4Å; W337-Y416 PolarHBondContact O-OH 2.97Å; Q339-Y416 HydrophobicContact CB-CD1 4.42Å; Q339-Y416 HydrophobicContact CG-CD1 3.73Å; Q339-Y416 HydrophobicContact CG-CE1 4.03Å; A412-Y416 VanDerWaalsContact O-CD2 3.32Å; A412-Y416 WeakPolarHBondContact O-CD2 3.25Å; A412-Y416 PolarHBondContact O-N 2.72Å; Y413-Y416 CarbonylContact O-C 3.57Å; Y413-Y416 PolarHBondContact O-N 2.86Å; D414-Y416 VanDerWaalsContact C-N 3.28Å; D414-Y416 PolarHBondContact O-N 3.22Å; Y416-M418 PolarHBondContact O-N 3.36Å; Y416-M418 VanDerWaalsContact O-N 3.07Å; Y416-D419 WeakPolarHBondContact O-CA 3.45Å; Y416-D419 WeakPolarHBondContact O-CB 3.4Å; Y416-D419 PolarHBondContact O-N 2.97Å; Y416-Y420 WeakPolarHBondContact O-CD2 3.31Å; Y416-Y420 PolarHBondContact O-N 3.23Å
417Y97.5Very high97.1Very high33 Ų3337.4 Ų37.413%0.12918%0.177CC..Hα-helixtrans-54.4-38-171.4-176.6-116.6000113.6L130 S133 Y413 D414 D419 Y420 L421L130-Y417 HydrophobicContact CD2-CD1 3.83Å; L130-Y417 HydrophobicContact CD2-CD2 4.35Å; L130-Y417 HydrophobicContact CD2-CE1 3.91Å; L130-Y417 HydrophobicContact CD2-CE2 4.45Å; L130-Y417 HydrophobicContact CD2-CG 4.05Å; S133-Y417 PolarHBondContact OG-OH 2.94Å; S133-Y417 VanDerWaalsContact OG-OH 3.07Å; Y413-Y417 HydrophobicContact CD1-CD2 4.45Å; Y413-Y417 AromaticContact CE1-CD2 3.59Å; Y413-Y417 HydrophobicContact CE1-CD2 3.59Å; Y413-Y417 AromaticContact CE1-CE2 3.98Å; Y413-Y417 HydrophobicContact CE1-CE2 3.98Å; Y413-Y417 AromaticContact CZ-CD2 3.64Å; Y413-Y417 AromaticContact CZ-CE2 3.95Å; Y413-Y417 WeakPolarHBondContact O-CA 3.49Å; Y413-Y417 PolarHBondContact O-N 3.45Å; Y413-Y417 WeakPolarHBondContact OH-CD2 3.46Å; Y413-Y417 WeakPolarHBondContact OH-CE2 3.49Å; D414-Y417 VanDerWaalsContact O-CB 3.3Å; D414-Y417 WeakPolarHBondContact O-CB 3.44Å; D414-Y417 PolarHBondContact O-N 2.94Å; Y417-D419 VanDerWaalsContact C-N 3.31Å; Y417-D419 PolarHBondContact O-N 3.35Å; Y417-Y420 WeakPolarHBondContact O-CB 3.35Å; Y417-Y420 PolarHBondContact O-N 2.89Å; Y417-L421 HydrophobicContact CD1-CD1 3.92Å; Y417-L421 HydrophobicContact CD1-CG 4.36Å; Y417-L421 HydrophobicContact CE1-CD1 3.39Å; Y417-L421 HydrophobicContact CE1-CD2 4.49Å; Y417-L421 HydrophobicContact CE1-CG 3.98Å; Y417-L421 HydrophobicContact CE2-CD2 4.3Å; Y417-L421 HydrophobicContact CE2-CG 4.25Å; Y417-L421 PolarHBondContact O-N 2.98Å
418M96.5Very high96.9Very high39 Ų3932.6 Ų32.619%0.19216%0.155CC..Hα-helixtrans-65.2-33176.4-68.8-53.8-50.900113.1Y177 Y416 L421 M422Y177-M418 HydrophobicContact CD2-CE 4.14Å; Y177-M418 HydrophobicContact CG-CE 3.95Å; Y416-M418 PolarHBondContact O-N 3.36Å; Y416-M418 VanDerWaalsContact O-N 3.07Å; M418-L421 HydrophobicContact SD-CD1 4.39Å; M418-M422 HydrophobicContact CE-CE 3.72Å; M418-M422 HydrophobicContact CE-CG 4.34Å; M418-M422 HydrophobicContact CE-SD 4.35Å; M418-M422 WeakPolarHBondContact O-CB 3.41Å; M418-M422 WeakPolarHBondContact O-CG 3.41Å; M418-M422 PolarHBondContact O-N 3.45Å
419D98.1Very high96.7Very high0 Ų032.6 Ų32.60%016%0.155CC..Hα-helixtrans-68.1-41.7173.7-72.9-19.6000110.8P269 Q339 M340 N341 Y416 Y417 L421 M422 F423P269-D419 HydrophobicContact CG-CB 3.97Å; Q339-D419 WeakPolarHBondContact CA-OD2 3.32Å; Q339-D419 WeakPolarHBondContact CB-OD2 3.4Å; M340-D419 HydrophobicContact CE-CB 3.89Å; M340-D419 PolarHBondContact N-OD1 3.23Å; M340-D419 PolarHBondContact N-OD2 3.19Å; N341-D419 WeakPolarHBondContact CB-OD1 3.3Å; N341-D419 PolarHBondContact N-OD1 3.47Å; N341-D419 PolarHBondContact ND2-OD1 2.88Å; Y416-D419 WeakPolarHBondContact O-CA 3.45Å; Y416-D419 WeakPolarHBondContact O-CB 3.4Å; Y416-D419 PolarHBondContact O-N 2.97Å; Y417-D419 VanDerWaalsContact C-N 3.31Å; Y417-D419 PolarHBondContact O-N 3.35Å; D419-L421 PolarHBondContact O-N 2.91Å; D419-M422 PolarHBondContact O-N 2.85Å; D419-F423 HydrophobicContact CB-CD2 4.02Å; D419-F423 HydrophobicContact CB-CE2 4.31Å; D419-F423 WeakPolarHBondContact O-CB 3.48Å; D419-F423 VanDerWaalsContact O-CD2 3.24Å; D419-F423 WeakPolarHBondContact O-CD2 3.28Å; D419-F423 PolarHBondContact O-N 3.28Å
420Y97.9Very high96.3Very high3 Ų339.4 Ų39.41%0.01219%0.194CC..Hα-helixtrans-56.6-49.2174.4-79.2-80.8000112E268 P269 L270 Y413 Y416 Y417 N424 Y425 S426 P428E268-Y420 VanDerWaalsContact OE1-CE1 3.23Å; E268-Y420 WeakPolarHBondContact OE1-CE1 3.48Å; E268-Y420 VanDerWaalsContact OE1-CZ 3.23Å; E268-Y420 PolarHBondContact OE1-OH 3Å; P269-Y420 HydrophobicContact CB-CD2 4.38Å; P269-Y420 HydrophobicContact CB-CE2 3.73Å; P269-Y420 HydrophobicContact CG-CD1 4.36Å; P269-Y420 HydrophobicContact CG-CD2 3.95Å; P269-Y420 HydrophobicContact CG-CE1 4.07Å; P269-Y420 HydrophobicContact CG-CE2 3.68Å; P269-Y420 HydrophobicContact CG-CG 4.27Å; L270-Y420 WeakPolarHBondContact CG-OH 3.27Å; Y413-Y420 AromaticContact CD2-CD2 3.75Å; Y413-Y420 HydrophobicContact CD2-CD2 3.75Å; Y413-Y420 AromaticContact CD2-CE2 3.53Å; Y413-Y420 HydrophobicContact CD2-CE2 3.53Å; Y413-Y420 HydrophobicContact CD2-CG 4.33Å; Y413-Y420 AromaticContact CD2-CZ 3.96Å; Y413-Y420 HydrophobicContact CE2-CD1 4.03Å; Y413-Y420 AromaticContact CE2-CD2 3.58Å; Y413-Y420 HydrophobicContact CE2-CD2 3.58Å; Y413-Y420 HydrophobicContact CE2-CE1 4.25Å; Y413-Y420 AromaticContact CE2-CE2 3.79Å; Y413-Y420 HydrophobicContact CE2-CE2 3.79Å; Y413-Y420 AromaticContact CE2-CG 3.72Å; Y413-Y420 HydrophobicContact CE2-CG 3.72Å; Y416-Y420 WeakPolarHBondContact O-CD2 3.31Å; Y416-Y420 PolarHBondContact O-N 3.23Å; Y417-Y420 WeakPolarHBondContact O-CB 3.35Å; Y417-Y420 PolarHBondContact O-N 2.89Å; Y420-N424 WeakPolarHBondContact O-CA 3.43Å; Y420-N424 PolarHBondContact O-N 3.32Å; Y420-N424 VanDerWaalsContact O-N 3.1Å; Y420-Y425 PolarHBondContact O-N 2.95Å; Y420-S426 WeakPolarHBondContact CD1-O 3.39Å; Y420-S426 WeakPolarHBondContact CE1-O 3.41Å; Y420-P428 HydrophobicContact CE1-CG 4.24Å; Y420-P428 WeakPolarHBondContact OH-CG 3.4Å
421L95.6Very high95.8Very high17 Ų1740.6 Ų40.69%0.08920%0.202CC..Hα-helixtrans-65-50.6179.2-69.2-176.4000112.4M173 Y177 Y417 M418 D419M173-L421 HydrophobicContact SD-CB 4.4Å; Y177-L421 HydrophobicContact CE2-CD1 4.08Å; Y417-L421 HydrophobicContact CD1-CD1 3.92Å; Y417-L421 HydrophobicContact CD1-CG 4.36Å; Y417-L421 HydrophobicContact CE1-CD1 3.39Å; Y417-L421 HydrophobicContact CE1-CD2 4.49Å; Y417-L421 HydrophobicContact CE1-CG 3.98Å; Y417-L421 HydrophobicContact CE2-CD2 4.3Å; Y417-L421 HydrophobicContact CE2-CG 4.25Å; Y417-L421 PolarHBondContact O-N 2.98Å; M418-L421 HydrophobicContact SD-CD1 4.39Å; D419-L421 PolarHBondContact O-N 2.91Å
422M95.7Very high95.4Very high2 Ų235.2 Ų35.21%0.0118%0.182CC..Hα-helixtrans-69.4-35.1-173.1-74.9-179.6164.100112.8M170 M173 K178 N341 C347 M418 D419M170-M422 HydrophobicContact CE-CB 3.81Å; M170-M422 WeakPolarHBondContact CE-O 3.4Å; M170-M422 HydrophobicContact SD-CB 3.92Å; M170-M422 HydrophobicContact SD-CG 4.21Å; M170-M422 HydrophobicContact SD-SD 4.47Å; M173-M422 HydrophobicContact CB-CG 4.05Å; K178-M422 HydrophobicContact CG-CE 4.1Å; N341-M422 HydrophobicContact CB-SD 3.53Å; N341-M422 VanDerWaalsContact CB-SD 3.53Å; C347-M422 VanDerWaalsContact SG-CE 3.5Å; M418-M422 HydrophobicContact CE-CE 3.72Å; M418-M422 HydrophobicContact CE-CG 4.34Å; M418-M422 HydrophobicContact CE-SD 4.35Å; M418-M422 WeakPolarHBondContact O-CB 3.41Å; M418-M422 WeakPolarHBondContact O-CG 3.41Å; M418-M422 PolarHBondContact O-N 3.45Å; D419-M422 PolarHBondContact O-N 2.85Å
423F97.3Very high94.6Very high2 Ų245.1 Ų45.11%0.00922%0.221CC..THydrogen-bonded Turntrans-1028.6-177.3-58.3-65.1000113.8M170 M264 V266 M340 N341 P346 I354 K356 D419 Y425M170-F423 HydrophobicContact CE-CD1 3.49Å; M170-F423 VanDerWaalsContact CE-CD1 3.49Å; M170-F423 HydrophobicContact CE-CE1 3.18Å; M170-F423 HydrophobicContact CE-CG 4.37Å; M170-F423 HydrophobicContact CE-CZ 3.83Å; M264-F423 HydrophobicContact CE-CE1 3.97Å; M264-F423 HydrophobicContact CE-CZ 3.89Å; M264-F423 HydrophobicContact SD-CE1 4.08Å; M264-F423 HydrophobicContact SD-CZ 4.41Å; V266-F423 HydrophobicContact CB-CD1 4.28Å; V266-F423 HydrophobicContact CB-CG 4.27Å; V266-F423 HydrophobicContact CG1-CD1 3.58Å; V266-F423 HydrophobicContact CG1-CD2 4.08Å; V266-F423 HydrophobicContact CG1-CE1 3.48Å; V266-F423 VanDerWaalsContact CG1-CE1 3.48Å; V266-F423 HydrophobicContact CG1-CE2 4.03Å; V266-F423 HydrophobicContact CG1-CG 3.88Å; V266-F423 HydrophobicContact CG1-CZ 3.74Å; V266-F423 HydrophobicContact CG2-CB 4.14Å; V266-F423 HydrophobicContact CG2-CD1 3.99Å; V266-F423 HydrophobicContact CG2-CG 4.1Å; M340-F423 HydrophobicContact CB-CE2 3.74Å; M340-F423 HydrophobicContact CB-CZ 4.22Å; M340-F423 HydrophobicContact CE-CD2 4Å; M340-F423 HydrophobicContact CE-CE2 4.33Å; N341-F423 HydrophobicContact CB-CE2 4.38Å; P346-F423 HydrophobicContact CG-CZ 4.21Å; I354-F423 HydrophobicContact CG2-CD1 3.92Å; I354-F423 HydrophobicContact CG2-CE1 4.11Å; K356-F423 WeakPolarHBondContact CE-O 3.35Å; D419-F423 HydrophobicContact CB-CD2 4.02Å; D419-F423 HydrophobicContact CB-CE2 4.31Å; D419-F423 WeakPolarHBondContact O-CB 3.48Å; D419-F423 VanDerWaalsContact O-CD2 3.24Å; D419-F423 WeakPolarHBondContact O-CD2 3.28Å; D419-F423 PolarHBondContact O-N 3.28Å; F423-Y425 HydrophobicContact CB-CD2 3.74Å; F423-Y425 HydrophobicContact CB-CE2 3.67Å; F423-Y425 PolarHBondContact O-N 3.48Å
424N96.8Very high94.4Very high72 Ų7246.8 Ų46.839%0.38523%0.229SC..THydrogen-bonded Turntrans51.256.5177.6-161.333.4000111.8V169 K356 Y420V169-N424 HydrophobicContact CG1-CB 4.17Å; K356-N424 PolarHBondContact NZ-O 3.18Å; Y420-N424 WeakPolarHBondContact O-CA 3.43Å; Y420-N424 PolarHBondContact O-N 3.32Å; Y420-N424 VanDerWaalsContact O-N 3.1Å
425Y97.6Very high94.2Very high24 Ų2446.7 Ų46.79%0.09423%0.228CC..PPolyproline II helixtrans-97.1139.5167.9-74.3-77.2000109.7V266 R267 E268 P269 K356 E358 Y420 F423V266-Y425 HydrophobicContact CB-CE2 4.42Å; V266-Y425 HydrophobicContact CG2-CE2 4.03Å; V266-Y425 WeakPolarHBondContact CG2-OH 3.42Å; V266-Y425 PolarHBondContact O-OH 3.21Å; R267-Y425 VanDerWaalsContact CA-OH 3.24Å; R267-Y425 WeakPolarHBondContact CA-OH 3.2Å; R267-Y425 PolarHBondContact N-OH 3Å; E268-Y425 HydrophobicContact CB-CD1 4.21Å; E268-Y425 HydrophobicContact CB-CE1 4.07Å; E268-Y425 HydrophobicContact CG-CD1 4.24Å; E268-Y425 PolarHBondContact N-OH 3.35Å; P269-Y425 HydrophobicContact CG-CD2 4.46Å; K356-Y425 HydrophobicContact CD-CE1 4Å; E358-Y425 PolarHBondContact OE2-OH 3.45Å; Y420-Y425 PolarHBondContact O-N 2.95Å; F423-Y425 HydrophobicContact CB-CD2 3.74Å; F423-Y425 HydrophobicContact CB-CE2 3.67Å; F423-Y425 PolarHBondContact O-N 3.48Å
426S95.1Very high94Very high71 Ų7146.7 Ų46.750%0.49723%0.229SC..PPolyproline II helixtrans-72.5160.4173.6-51.50000110.6H138 Y420H138-S426 PolarHBondContact NE2-OG 3.37Å; Y420-S426 WeakPolarHBondContact CD1-O 3.39Å; Y420-S426 WeakPolarHBondContact CE1-O 3.41Å
427K93.1Very high93.8Very high84 Ų8449.4 Ų49.437%0.36524%0.242SC..PPolyproline II helixtrans-57.4130.1173.5-73.7-176.5170.6-1690109.8Y413 L432 Y433Y413-K427 HydrophobicContact CE2-CG 4.2Å; K427-L432 PolarHBondContact NZ-O 3.47Å; K427-Y433 PolarHBondContact NZ-O 3.43Å; K427-Y433 PolarHBondContact NZ-OXT 3.2Å
428P93Very high93.5Very high21 Ų2150.4 Ų50.414%0.13625%0.25CC..SBendtrans-77.4-23.2-173.129.9-37.3000113.3L270 Y413 Y420 L432L270-P428 HydrophobicContact CD1-CB 4.37Å; L270-P428 HydrophobicContact CD1-CG 3.73Å; L270-P428 HydrophobicContact CG-CG 4.5Å; Y413-P428 HydrophobicContact CD2-CG 4.34Å; Y420-P428 HydrophobicContact CE1-CG 4.24Å; Y420-P428 WeakPolarHBondContact OH-CG 3.4Å; P428-L432 HydrophobicContact CG-CD1 3.69Å
429F92Very high93.3Very high23 Ų2351.2 Ų51.210%0.10125%0.253CS..  trans-134.2149.9179.6-52.4-87000111.6L270 E398 F401 R409 D431 L432L270-F429 HydrophobicContact CD1-CD2 4.31Å; L270-F429 HydrophobicContact CD1-CE2 3.63Å; E398-F429 HydrophobicContact CB-CE1 4.31Å; E398-F429 HydrophobicContact CG-CD1 4.48Å; E398-F429 HydrophobicContact CG-CE1 3.79Å; F401-F429 HydrophobicContact CB-CE1 4.14Å; F401-F429 HydrophobicContact CB-CE2 4.11Å; F401-F429 HydrophobicContact CB-CZ 3.48Å; F401-F429 VanDerWaalsContact CB-CZ 3.48Å; F401-F429 HydrophobicContact CD2-CE2 4.32Å; F401-F429 AromaticContact CD2-CZ 4Å; F401-F429 HydrophobicContact CD2-CZ 4Å; F401-F429 HydrophobicContact CG-CE2 4.09Å; F401-F429 AromaticContact CG-CZ 3.83Å; F401-F429 HydrophobicContact CG-CZ 3.83Å; R409-F429 HydrophobicContact CG-CD2 3.94Å; R409-F429 HydrophobicContact CG-CE2 4.01Å; F429-D431 VanDerWaalsContact C-N 3.31Å; F429-D431 WeakPolarHBondContact CB-OD1 3.35Å; F429-D431 PolarHBondContact O-N 3.01Å; F429-L432 HydrophobicContact CB-CD1 4.1Å; F429-L432 HydrophobicContact CB-CG 4.06Å; F429-L432 HydrophobicContact CD2-CD1 4.01Å
430N89.1Confident93Very high180 Ų18054.9 Ų54.996%0.96327%0.271SS*.THydrogen-bonded Turntrans-75.1-19.5-178.9-65.8-23.8000113.4L432N430-L432 VanDerWaalsContact C-N 3.27Å; N430-L432 PolarHBondContact O-N 3.02Å
431D86.9Confident92.6Very high49 Ų4958.8 Ų58.826%0.26229%0.291SS..THydrogen-bonded Turntrans-87.27.7-178.562.9-18.5000113.4L406 R409 F429L406-D431 HydrophobicContact CD1-CB 4.02Å; R409-D431 IonicContact CZ-OD2 2.71Å; R409-D431 IonicContact NH1-OD1 3.92Å; R409-D431 IonicContact NH1-OD2 2.7Å; R409-D431 PolarHBondContact NH1-OD2 2.97Å; F429-D431 VanDerWaalsContact C-N 3.31Å; F429-D431 WeakPolarHBondContact CB-OD1 3.35Å; F429-D431 PolarHBondContact O-N 3.01Å
432L90.8Very high92.4Very high12 Ų1262.3 Ų62.36%0.06331%0.308CS..  trans-92.7127179.2-64175.1000112.5R409 Q410 Y413 K427 P428 F429 N430R409-L432 HydrophobicContact CG-CD2 4.3Å; Q410-L432 HydrophobicContact CB-CD2 4.29Å; Q410-L432 VanDerWaalsContact OE1-CA 3.31Å; Y413-L432 HydrophobicContact CD1-CD1 4.42Å; Y413-L432 HydrophobicContact CD2-CD1 3.78Å; Y413-L432 HydrophobicContact CE2-CD1 4.41Å; Y413-L432 HydrophobicContact CG-CD1 3.77Å; Y413-L432 HydrophobicContact CG-CD2 4.41Å; K427-L432 PolarHBondContact NZ-O 3.47Å; P428-L432 HydrophobicContact CG-CD1 3.69Å; F429-L432 HydrophobicContact CB-CD1 4.1Å; F429-L432 HydrophobicContact CB-CG 4.06Å; F429-L432 HydrophobicContact CD2-CD1 4.01Å; N430-L432 VanDerWaalsContact C-N 3.27Å; N430-L432 PolarHBondContact O-N 3.02Å
433Y81Confident92.1Very high208 Ų20867.8 Ų67.882%0.81634%0.335SS*.  trans-73.60-179.3-57.9-77.2000113.2L406 K427L406-Y433 HydrophobicContact CD2-CE2 4.14Å; K427-Y433 PolarHBondContact NZ-O 3.43Å; K427-Y433 PolarHBondContact NZ-OXT 3.2Å

Retrieved 433 of 433 residues in 284 ms (Link to these results)

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