A0A3Q0KNG9_SCHMA Loading...

Putative nachr subunit

AlphaFold DB (A0A5K4EQN5), UniProt , Accession A0A3Q0KNG9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 611 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
1M54.8Low69.2Low213 Ų213127.2 Ų127.2100%1.04964%0.642SS**  0-39.50-120.6175134.300113.5Q3M1-Q3 PolarHBondContact O-N 3.33Å
2N62.6Low70.4Confident140 Ų140125.3 Ų125.375%0.74963%0.634SS**Hα-helixtrans-65.9-25-177.8-73.4-4.7000116.2
3Q60.2Low71.6Confident173 Ų173126.2 Ų126.281%0.80863%0.631SS**Hα-helixtrans-75.3-30.3-178-129.1170.3-5.100113.5M1 F7M1-Q3 PolarHBondContact O-N 3.33Å; Q3-F7 PolarHBondContact O-N 2.95Å
4Y62.6Low72.7Confident187 Ų187123.9 Ų123.973%0.73362%0.62SS**Hα-helixtrans-75-28175.6-75.7-83.3000112.5N8Y4-N8 PolarHBondContact O-N 3.24Å
5L66.8Low73.7Confident113 Ų113120.4 Ų120.459%0.59261%0.608SS**Hα-helixtrans-68.1-43.5176.5-134.788000111.1F7 N8 L9L5-F7 VanDerWaalsContact C-N 3.34Å; L5-F7 PolarHBondContact O-N 2.87Å; L5-N8 PolarHBondContact O-N 3.13Å; L5-L9 HydrophobicContact CD2-CD1 4.25Å; L5-L9 HydrophobicContact CG-CD1 4.31Å; L5-L9 WeakPolarHBondContact O-CB 3.49Å; L5-L9 WeakPolarHBondContact O-CD1 3.27Å; L5-L9 PolarHBondContact O-N 2.76Å
6C67.6Low74.5Confident93 Ų93120.3 Ų120.363%0.62861%0.606SS**Hα-helixtrans-62.9-38177.5-740000112.9S10C6-S10 WeakPolarHBondContact O-CB 3.22Å; C6-S10 PolarHBondContact O-N 3.41Å
7F72.1Confident75.3Confident147 Ų147119 Ų11965%0.64560%0.6SS**Hα-helixtrans-68.9-42.1179.6-153.4-98.3000111.6Q3 L5 S10 I11Q3-F7 PolarHBondContact O-N 2.95Å; L5-F7 VanDerWaalsContact C-N 3.34Å; L5-F7 PolarHBondContact O-N 2.87Å; F7-S10 PolarHBondContact O-N 3.05Å; F7-I11 HydrophobicContact CD1-CD1 3.68Å; F7-I11 HydrophobicContact CD1-CG1 4.42Å; F7-I11 HydrophobicContact CE1-CD1 3.74Å; F7-I11 HydrophobicContact CE1-CG1 4.45Å; F7-I11 WeakPolarHBondContact O-CG1 3.4Å; F7-I11 PolarHBondContact O-N 3.44Å; F7-I11 VanDerWaalsContact O-N 3.09Å
8N76.6Confident75.9Confident95 Ų95117.6 Ų117.651%0.50859%0.593SS.*Hα-helixtrans-67.4-39.1176.5-77.4-22.8000112.6Y4 L5 S10 I11 I12Y4-N8 PolarHBondContact O-N 3.24Å; L5-N8 PolarHBondContact O-N 3.13Å; N8-S10 VanDerWaalsContact C-N 3.32Å; N8-S10 PolarHBondContact O-N 3.38Å; N8-I11 PolarHBondContact O-N 3.42Å; N8-I12 WeakPolarHBondContact O-CD1 3.28Å; N8-I12 VanDerWaalsContact O-CG1 3.24Å; N8-I12 WeakPolarHBondContact O-CG1 3.28Å; N8-I12 PolarHBondContact O-N 3.02Å
9L76.8Confident76.5Confident94 Ų94115.6 Ų115.649%0.49258%0.584SS.*Hα-helixtrans-63.5-37.7174.2-94.6132.5000112.2L5 I12 F13L5-L9 HydrophobicContact CD2-CD1 4.25Å; L5-L9 HydrophobicContact CG-CD1 4.31Å; L5-L9 WeakPolarHBondContact O-CB 3.49Å; L5-L9 WeakPolarHBondContact O-CD1 3.27Å; L5-L9 PolarHBondContact O-N 2.76Å; L9-I12 PolarHBondContact O-N 3.49Å; L9-F13 PolarHBondContact O-N 2.84Å
10S78.8Confident76.8Confident65 Ų65117.8 Ų117.846%0.45559%0.586SS.*Hα-helixtrans-67.5-38.6176.9-162.60000112.3C6 F7 N8 F13 I14C6-S10 WeakPolarHBondContact O-CB 3.22Å; C6-S10 PolarHBondContact O-N 3.41Å; F7-S10 PolarHBondContact O-N 3.05Å; N8-S10 VanDerWaalsContact C-N 3.32Å; N8-S10 PolarHBondContact O-N 3.38Å; S10-F13 PolarHBondContact O-N 3.19Å; S10-I14 VanDerWaalsContact O-CG1 3.27Å; S10-I14 WeakPolarHBondContact O-CG1 3.48Å; S10-I14 PolarHBondContact O-N 3.1Å
11I82.7Confident77Confident79 Ų79115.6 Ų115.641%0.40558%0.581SS.*Hα-helixtrans-66.8-43.9176.3-67168.2000110.4F7 N8 F13 I14 V15F7-I11 HydrophobicContact CD1-CD1 3.68Å; F7-I11 HydrophobicContact CD1-CG1 4.42Å; F7-I11 HydrophobicContact CE1-CD1 3.74Å; F7-I11 HydrophobicContact CE1-CG1 4.45Å; F7-I11 WeakPolarHBondContact O-CG1 3.4Å; F7-I11 PolarHBondContact O-N 3.44Å; F7-I11 VanDerWaalsContact O-N 3.09Å; N8-I11 PolarHBondContact O-N 3.42Å; I11-F13 VanDerWaalsContact C-N 3.3Å; I11-F13 PolarHBondContact O-N 2.82Å; I11-I14 PolarHBondContact O-N 3.46Å; I11-V15 HydrophobicContact CG2-CG2 4.35Å; I11-V15 WeakPolarHBondContact O-CG2 3.43Å; I11-V15 PolarHBondContact O-N 2.68Å
12I83.6Confident78Confident105 Ų105111 Ų11154%0.53856%0.557SS.*Hα-helixtrans-61.3-41.4177.5-66.7164.1000110.4N8 L9 V15 M16N8-I12 WeakPolarHBondContact O-CD1 3.28Å; N8-I12 VanDerWaalsContact O-CG1 3.24Å; N8-I12 WeakPolarHBondContact O-CG1 3.28Å; N8-I12 PolarHBondContact O-N 3.02Å; L9-I12 PolarHBondContact O-N 3.49Å; I12-V15 PolarHBondContact O-N 3.04Å; I12-M16 HydrophobicContact CG2-CG 4.31Å; I12-M16 WeakPolarHBondContact O-CB 3.4Å; I12-M16 WeakPolarHBondContact O-CG 3.44Å; I12-M16 PolarHBondContact O-N 3.39Å
13F85.3Confident78.6Confident137 Ų137109.7 Ų109.760%0.60155%0.549SS*.Hα-helixtrans-63-42.6176-112.7-87.1000112.8L9 S10 I11 M16 I17L9-F13 PolarHBondContact O-N 2.84Å; S10-F13 PolarHBondContact O-N 3.19Å; I11-F13 VanDerWaalsContact C-N 3.3Å; I11-F13 PolarHBondContact O-N 2.82Å; F13-M16 PolarHBondContact O-N 2.84Å; F13-I17 HydrophobicContact CD1-CD1 4.44Å; F13-I17 VanDerWaalsContact O-CG1 3.27Å; F13-I17 WeakPolarHBondContact O-CG1 3.45Å; F13-I17 PolarHBondContact O-N 3.44Å
14I86.8Confident79Confident93 Ų93105.4 Ų105.448%0.47753%0.532SS..Hα-helixtrans-64.4-43.6177.7-68.4165.6000110.5S10 I11 M16 I17 I18S10-I14 VanDerWaalsContact O-CG1 3.27Å; S10-I14 WeakPolarHBondContact O-CG1 3.48Å; S10-I14 PolarHBondContact O-N 3.1Å; I11-I14 PolarHBondContact O-N 3.46Å; I14-M16 PolarHBondContact O-N 2.62Å; I14-I17 PolarHBondContact O-N 3.5Å; I14-I18 HydrophobicContact CG2-CD1 3.85Å; I14-I18 VanDerWaalsContact O-CG1 3.29Å; I14-I18 WeakPolarHBondContact O-CG1 3.35Å; I14-I18 PolarHBondContact O-N 2.73Å
15V87.6Confident79.1Confident72 Ų72103.1 Ų103.144%0.43653%0.528SS..Hα-helixtrans-64.1-41.3177.1174.10000111I11 I12 I17 I18 I19I11-V15 HydrophobicContact CG2-CG2 4.35Å; I11-V15 WeakPolarHBondContact O-CG2 3.43Å; I11-V15 PolarHBondContact O-N 2.68Å; I12-V15 PolarHBondContact O-N 3.04Å; V15-I17 PolarHBondContact O-N 2.91Å; V15-I18 PolarHBondContact O-N 3.12Å; V15-I19 HydrophobicContact CG1-CD1 3.78Å; V15-I19 HydrophobicContact CG1-CG1 4.38Å; V15-I19 WeakPolarHBondContact O-CB 3.32Å; V15-I19 VanDerWaalsContact O-CG1 3.28Å; V15-I19 WeakPolarHBondContact O-CG1 3.47Å; V15-I19 PolarHBondContact O-N 3.32Å
16M87.6Confident78.7Confident118 Ų118102.6 Ų102.658%0.58153%0.525SS*.Hα-helixtrans-64.8-38175.7-72.8-65.6-6900112.4I12 F13 I14 Y20I12-M16 HydrophobicContact CG2-CG 4.31Å; I12-M16 WeakPolarHBondContact O-CB 3.4Å; I12-M16 WeakPolarHBondContact O-CG 3.44Å; I12-M16 PolarHBondContact O-N 3.39Å; F13-M16 PolarHBondContact O-N 2.84Å; I14-M16 PolarHBondContact O-N 2.62Å; M16-Y20 WeakPolarHBondContact O-CB 3.38Å; M16-Y20 PolarHBondContact O-N 3.31Å
17I87.5Confident78.1Confident99 Ų99102.7 Ų102.751%0.50853%0.526SS..Hα-helixtrans-66.4-41.9174.5-70.6166.6000110.6F13 I14 V15 Y20 C21F13-I17 HydrophobicContact CD1-CD1 4.44Å; F13-I17 VanDerWaalsContact O-CG1 3.27Å; F13-I17 WeakPolarHBondContact O-CG1 3.45Å; F13-I17 PolarHBondContact O-N 3.44Å; I14-I17 PolarHBondContact O-N 3.5Å; V15-I17 PolarHBondContact O-N 2.91Å; I17-Y20 PolarHBondContact O-N 2.87Å; I17-C21 VanDerWaalsContact O-CB 3.29Å; I17-C21 WeakPolarHBondContact O-CB 3.47Å; I17-C21 PolarHBondContact O-N 3.06Å
18I86.5Confident77Confident93 Ų9399.2 Ų99.248%0.47752%0.524SS..Hα-helixtrans-63.8-46.7176.8-67.9166.2000110.3I14 V15 Y20 C21 E22I14-I18 HydrophobicContact CG2-CD1 3.85Å; I14-I18 VanDerWaalsContact O-CG1 3.29Å; I14-I18 WeakPolarHBondContact O-CG1 3.35Å; I14-I18 PolarHBondContact O-N 2.73Å; V15-I18 PolarHBondContact O-N 3.12Å; I18-Y20 VanDerWaalsContact C-N 3.33Å; I18-Y20 PolarHBondContact O-N 3.28Å; I18-C21 PolarHBondContact O-N 3.29Å; I18-E22 PolarHBondContact O-N 3.06Å
19I86.5Confident75.5Confident81 Ų8199.2 Ų99.242%0.41552%0.524SS..Hα-helixtrans-62.3-41.3176.7-67.9169.4000110.6V15 E22 L23V15-I19 HydrophobicContact CG1-CD1 3.78Å; V15-I19 HydrophobicContact CG1-CG1 4.38Å; V15-I19 WeakPolarHBondContact O-CB 3.32Å; V15-I19 VanDerWaalsContact O-CG1 3.28Å; V15-I19 WeakPolarHBondContact O-CG1 3.47Å; V15-I19 PolarHBondContact O-N 3.32Å; I19-E22 PolarHBondContact O-N 3.15Å; I19-L23 HydrophobicContact CG2-CD1 4.13Å; I19-L23 WeakPolarHBondContact O-CB 3.22Å; I19-L23 PolarHBondContact O-N 3.37Å
20Y83.1Confident74.2Confident159 Ų15998.3 Ų98.362%0.62453%0.529SS*.Hα-helixtrans-68.2-37.7177.5-168.4-104.1000111.9M16 I17 I18 L23 L24M16-Y20 WeakPolarHBondContact O-CB 3.38Å; M16-Y20 PolarHBondContact O-N 3.31Å; I17-Y20 PolarHBondContact O-N 2.87Å; I18-Y20 VanDerWaalsContact C-N 3.33Å; I18-Y20 PolarHBondContact O-N 3.28Å; Y20-L23 PolarHBondContact O-N 2.96Å; Y20-L24 HydrophobicContact CD1-CD1 3.56Å; Y20-L24 HydrophobicContact CE1-CD1 3.19Å; Y20-L24 HydrophobicContact CE1-CG 4.19Å; Y20-L24 HydrophobicContact CG-CD1 4.49Å; Y20-L24 VanDerWaalsContact O-CB 3.3Å; Y20-L24 WeakPolarHBondContact O-CB 3.31Å; Y20-L24 PolarHBondContact O-N 3.21Å
21C80Confident72.5Confident71 Ų71100.8 Ų100.848%0.4854%0.544SS..Hα-helixtrans-64-43.6172-99.70000111.9I17 I18 L24 Q25I17-C21 VanDerWaalsContact O-CB 3.29Å; I17-C21 WeakPolarHBondContact O-CB 3.47Å; I17-C21 PolarHBondContact O-N 3.06Å; I18-C21 PolarHBondContact O-N 3.29Å; C21-L24 PolarHBondContact O-N 3.49Å; C21-Q25 WeakPolarHBondContact O-CB 2.93Å; C21-Q25 PolarHBondContact O-N 3.43Å
22E77.3Confident70.6Confident118 Ų118106.7 Ų106.755%0.55157%0.567SS**Hα-helixtrans-66.7-39.7174.7-74.9-161168.400111.3I18 I19 Q25 I26I18-E22 PolarHBondContact O-N 3.06Å; I19-E22 PolarHBondContact O-N 3.15Å; E22-Q25 CarbonylContact O-C 3.51Å; E22-Q25 PolarHBondContact O-N 2.98Å; E22-I26 WeakPolarHBondContact O-CB 3.44Å; E22-I26 WeakPolarHBondContact O-CD1 3.31Å; E22-I26 WeakPolarHBondContact O-CG1 3.34Å; E22-I26 PolarHBondContact O-N 3.33Å
23L73.8Confident68.7Low111 Ų111103.9 Ų103.958%0.58156%0.564SS**Hα-helixtrans-66.7-36.7175-119.2103.9000112.4I19 Y20 Q25 I26 S27I19-L23 HydrophobicContact CG2-CD1 4.13Å; I19-L23 WeakPolarHBondContact O-CB 3.22Å; I19-L23 PolarHBondContact O-N 3.37Å; Y20-L23 PolarHBondContact O-N 2.96Å; L23-Q25 VanDerWaalsContact C-N 3.35Å; L23-I26 PolarHBondContact O-N 3.24Å; L23-S27 PolarHBondContact O-N 3.01Å; L23-S27 PolarHBondContact O-OG 3.39Å
24L69.6Low66.6Low84 Ų84105.9 Ų105.944%0.4457%0.574SS.*Hα-helixtrans-67.9-34.9171.9-98.1159.5000111.7Y20 C21 I26 S27 A28Y20-L24 HydrophobicContact CD1-CD1 3.56Å; Y20-L24 HydrophobicContact CE1-CD1 3.19Å; Y20-L24 HydrophobicContact CE1-CG 4.19Å; Y20-L24 HydrophobicContact CG-CD1 4.49Å; Y20-L24 VanDerWaalsContact O-CB 3.3Å; Y20-L24 WeakPolarHBondContact O-CB 3.31Å; Y20-L24 PolarHBondContact O-N 3.21Å; C21-L24 PolarHBondContact O-N 3.49Å; L24-I26 VanDerWaalsContact C-N 3.33Å; L24-S27 WeakPolarHBondContact CA-OG 3.39Å; L24-S27 PolarHBondContact O-OG 2.87Å; L24-A28 WeakPolarHBondContact O-CB 3.43Å; L24-A28 PolarHBondContact O-N 2.88Å
25Q63.7Low64.7Low139 Ų139106.5 Ų106.565%0.6558%0.584SS**Hα-helixtrans-69.4-32.5170.3-89.3176.6-52.800112.2C21 E22 L23 A28 I29C21-Q25 WeakPolarHBondContact O-CB 2.93Å; C21-Q25 PolarHBondContact O-N 3.43Å; E22-Q25 CarbonylContact O-C 3.51Å; E22-Q25 PolarHBondContact O-N 2.98Å; L23-Q25 VanDerWaalsContact C-N 3.35Å; Q25-A28 CarbonylContact O-C 3.56Å; Q25-A28 PolarHBondContact O-N 2.98Å; Q25-I29 PolarHBondContact O-N 2.82Å; Q25-I29 VanDerWaalsContact O-N 3.16Å
26I59.1Low62.8Low102 Ų102112.9 Ų112.952%0.52361%0.606SS.*Hα-helixtrans-73.7-35.5175.8-68.4162.7000111.1E22 L23 L24 A28 I29E22-I26 WeakPolarHBondContact O-CB 3.44Å; E22-I26 WeakPolarHBondContact O-CD1 3.31Å; E22-I26 WeakPolarHBondContact O-CG1 3.34Å; E22-I26 PolarHBondContact O-N 3.33Å; L23-I26 PolarHBondContact O-N 3.24Å; L24-I26 VanDerWaalsContact C-N 3.33Å; I26-A28 VanDerWaalsContact C-N 3.32Å; I26-I29 HydrophobicContact CB-CD1 4.27Å; I26-I29 HydrophobicContact CG1-CD1 4.35Å; I26-I29 HydrophobicContact CG2-CD1 4.06Å; I26-I29 VanDerWaalsContact O-CB 3.29Å; I26-I29 WeakPolarHBondContact O-CB 3.4Å; I26-I29 VanDerWaalsContact O-CG1 3.31Å; I26-I29 WeakPolarHBondContact O-CG1 3.49Å; I26-I29 PolarHBondContact O-N 2.89Å
27S54.3Low61.1Low94 Ų94112.8 Ų112.866%0.65761%0.612SS**Hα-helixtrans-77.5-18.8170.565.60000113.2L23 L24 I29L23-S27 PolarHBondContact O-N 3.01Å; L23-S27 PolarHBondContact O-OG 3.39Å; L24-S27 WeakPolarHBondContact CA-OG 3.39Å; L24-S27 PolarHBondContact O-OG 2.87Å; S27-I29 VanDerWaalsContact C-N 3.26Å
28A50.8Low59.3Low74 Ų74115 Ų11561%0.61262%0.624SS**THydrogen-bonded Turntrans-84.38.1165.100000113.5L24 Q25 I26 A30L24-A28 WeakPolarHBondContact O-CB 3.43Å; L24-A28 PolarHBondContact O-N 2.88Å; Q25-A28 CarbonylContact O-C 3.56Å; Q25-A28 PolarHBondContact O-N 2.98Å; I26-A28 VanDerWaalsContact C-N 3.32Å; A28-A30 PolarHBondContact O-N 3.48Å
29I43.9Very low57.8Low96 Ų96119.6 Ų119.649%0.49264%0.641SS.*  trans-69.680.8159.1-57.4167.5000106.3Q25 I26 S27Q25-I29 PolarHBondContact O-N 2.82Å; Q25-I29 VanDerWaalsContact O-N 3.16Å; I26-I29 HydrophobicContact CB-CD1 4.27Å; I26-I29 HydrophobicContact CG1-CD1 4.35Å; I26-I29 HydrophobicContact CG2-CD1 4.06Å; I26-I29 VanDerWaalsContact O-CB 3.29Å; I26-I29 WeakPolarHBondContact O-CB 3.4Å; I26-I29 VanDerWaalsContact O-CG1 3.31Å; I26-I29 WeakPolarHBondContact O-CG1 3.49Å; I26-I29 PolarHBondContact O-N 2.89Å; S27-I29 VanDerWaalsContact C-N 3.26Å
30A48.6Very low56.7Low74 Ų74121.4 Ų121.461%0.61266%0.656SS**  trans-43.5130.7152.600000106.5A28 K32A28-A30 PolarHBondContact O-N 3.48Å; A30-K32 PolarHBondContact O-N 2.83Å
31P43.9Very low56.2Low117 Ų117121.1 Ų121.176%0.7666%0.658SS**  trans-49.6114.4-175.516.6-29.1000108.7G33P31-G33 PolarHBondContact O-N 2.89Å
32K42.6Very low56.5Low204 Ų204120.2 Ų120.289%0.88765%0.652SS**SBendtrans-70.570.2168.8-76-176.9178.6175.50107.5A30A30-K32 PolarHBondContact O-N 2.83Å
33G44.5Very low57.2Low46 Ų46118 Ų11847%0.47465%0.646SS.*  trans-15861.517900000105.2P31 P35P31-G33 PolarHBondContact O-N 2.89Å; G33-P35 VanDerWaalsContact C-N 3.27Å; G33-P35 WeakPolarHBondContact O-CD 3.38Å; G33-P35 VanDerWaalsContact O-N 3.11Å
34H41.3Very low58Low178 Ų178116.5 Ų116.582%0.82464%0.636SS**  trans-59.3107.4141.9-78.1-67.8000103.7K36H34-K36 PolarHBondContact O-N 2.79Å; H34-K36 VanDerWaalsContact O-N 3.1Å
35P46.5Very low59.1Low106 Ų106119.1 Ų119.169%0.68864%0.644SS**  trans-51.2130.2165.923.5-31.6000105.2G33 V37G33-P35 VanDerWaalsContact C-N 3.27Å; G33-P35 WeakPolarHBondContact O-CD 3.38Å; G33-P35 VanDerWaalsContact O-N 3.11Å; P35-V37 VanDerWaalsContact C-N 3.33Å; P35-V37 WeakPolarHBondContact O-CA 3.48Å; P35-V37 PolarHBondContact O-N 3.09Å
36K47.4Very low60.5Low206 Ų206114.9 Ų114.990%0.89663%0.626SS**  trans-41.9107.1169.5-73.2176.2177.3176.80105.7H34 L38H34-K36 PolarHBondContact O-N 2.79Å; H34-K36 VanDerWaalsContact O-N 3.1Å; K36-L38 VanDerWaalsContact C-N 3.29Å; K36-L38 PolarHBondContact O-N 3.01Å
37V52Low62.1Low116 Ų116110 Ų11070%0.70360%0.601SS**  trans-61.799.7-170.9174.90000105.3P35 K39P35-V37 VanDerWaalsContact C-N 3.33Å; P35-V37 WeakPolarHBondContact O-CA 3.48Å; P35-V37 PolarHBondContact O-N 3.09Å; V37-K39 VanDerWaalsContact C-N 3.32Å; V37-K39 PolarHBondContact O-N 3.01Å
38L50.3Low64Low145 Ų145107.1 Ų107.176%0.75958%0.578SS**  trans-50.6112.3153.9-126.385.1000102.9K36 T40K36-L38 VanDerWaalsContact C-N 3.29Å; K36-L38 PolarHBondContact O-N 3.01Å; L38-T40 PolarHBondContact O-N 2.97Å; L38-T40 PolarHBondContact O-OG1 3.11Å
39K55.4Low66.1Low191 Ų191109.7 Ų109.783%0.8357%0.572SS**  trans-65.969.3178-77.6179.2175.5174.30108.6V37 K41V37-K39 VanDerWaalsContact C-N 3.32Å; V37-K39 PolarHBondContact O-N 3.01Å; K39-K41 PolarHBondContact O-N 2.92Å
40T62.3Low68.5Low118 Ų118107.3 Ų107.372%0.72456%0.559SS**  trans-74.682.4160.644.40000105.4L38 S42L38-T40 PolarHBondContact O-N 2.97Å; L38-T40 PolarHBondContact O-OG1 3.11Å; T40-S42 PolarHBondContact O-N 3.22Å; T40-S42 VanDerWaalsContact O-N 3.17Å
41K73.4Confident70.6Confident154 Ų154103.8 Ų103.867%0.6753%0.53SS*.  trans-53.9124.4164-73.2-176.2176.8-179.70106.5K39 V43 D46K39-K41 PolarHBondContact O-N 2.92Å; K41-V43 PolarHBondContact O-N 2.87Å; K41-D46 WeakPolarHBondContact CB-OD2 3.29Å
42S86.8Confident73Confident51 Ų5199.4 Ų99.436%0.35750%0.5SS..  trans-64.4119.7176.31640000108.2T40 E44 K45 D46T40-S42 PolarHBondContact O-N 3.22Å; T40-S42 VanDerWaalsContact O-N 3.17Å; S42-E44 PolarHBondContact O-N 2.75Å; S42-K45 PolarHBondContact O-N 3.03Å; S42-K45 PolarHBondContact OG-N 2.75Å; S42-D46 PolarHBondContact O-N 3.01Å; S42-D46 VanDerWaalsContact O-N 3.08Å
43V90.5Very high75.5Confident72 Ų7293.2 Ų93.244%0.43648%0.477SS..Hα-helixtrans-56.7-37.6179.2-178.40000111K41 D46 L47 Y115 I118K41-V43 PolarHBondContact O-N 2.87Å; V43-D46 PolarHBondContact O-N 3.37Å; V43-L47 WeakPolarHBondContact O-CB 3.37Å; V43-L47 PolarHBondContact O-N 2.7Å; V43-Y115 HydrophobicContact CG1-CD1 4.24Å; V43-Y115 WeakPolarHBondContact CG1-O 3.44Å; V43-I118 HydrophobicContact CG1-CD1 4.38Å
44E92Very high77.8Confident79 Ų7994.5 Ų94.537%0.36947%0.467SS..Hα-helixtrans-62-43.6174.7-171.4-174.2178.600112.4S42 D46 L47 I48 I118 V121S42-E44 PolarHBondContact O-N 2.75Å; E44-D46 VanDerWaalsContact C-N 3.3Å; E44-D46 PolarHBondContact O-N 3.43Å; E44-L47 WeakPolarHBondContact O-CB 3.46Å; E44-L47 PolarHBondContact O-N 3.08Å; E44-I48 HydrophobicContact CG-CD1 4.07Å; E44-I48 WeakPolarHBondContact O-CG1 3.35Å; E44-I48 PolarHBondContact O-N 3.45Å; E44-I118 HydrophobicContact CB-CD1 3.76Å; E44-I118 HydrophobicContact CG-CD1 4.3Å; E44-V121 HydrophobicContact CG-CG1 4.43Å
45K92.2Very high80.2Confident139 Ų13986.1 Ų86.160%0.60443%0.428SS*.Hα-helixtrans-66.5-34.8177.6-70.3-174.2179.8-179.60112.1S42 R49S42-K45 PolarHBondContact O-N 3.03Å; S42-K45 PolarHBondContact OG-N 2.75Å; K45-R49 WeakPolarHBondContact O-CB 3.42Å; K45-R49 PolarHBondContact O-N 3.3Å
46D92.1Very high82.2Confident50 Ų5087.8 Ų87.827%0.26743%0.427SS..Hα-helixtrans-69.7-39.6175.9-70.5-16.3000111K41 S42 V43 E44 R49 M50K41-D46 WeakPolarHBondContact CB-OD2 3.29Å; S42-D46 PolarHBondContact O-N 3.01Å; S42-D46 VanDerWaalsContact O-N 3.08Å; V43-D46 PolarHBondContact O-N 3.37Å; E44-D46 VanDerWaalsContact C-N 3.3Å; E44-D46 PolarHBondContact O-N 3.43Å; D46-R49 PolarHBondContact O-N 3.49Å; D46-R49 IonicContact OD1-CZ 3.8Å; D46-R49 IonicContact OD1-NH1 2.7Å; D46-R49 PolarHBondContact OD1-NH1 3.48Å; D46-M50 WeakPolarHBondContact O-CB 3.29Å; D46-M50 PolarHBondContact O-N 2.93Å
47L94.1Very high84.2Confident0 Ų085.6 Ų85.60%042%0.42CS..Hα-helixtrans-59.4-52.3171.3173.859.1000111.8V43 E44 R49 M50 L51 W110 Y115 I118 V121V43-L47 WeakPolarHBondContact O-CB 3.37Å; V43-L47 PolarHBondContact O-N 2.7Å; E44-L47 WeakPolarHBondContact O-CB 3.46Å; E44-L47 PolarHBondContact O-N 3.08Å; L47-R49 VanDerWaalsContact C-N 3.31Å; L47-R49 PolarHBondContact O-N 3.1Å; L47-M50 HydrophobicContact CD1-CE 3.74Å; L47-M50 WeakPolarHBondContact O-CB 3.41Å; L47-M50 PolarHBondContact O-N 2.9Å; L47-M50 VanDerWaalsContact O-N 3.15Å; L47-L51 HydrophobicContact CD1-CD1 4.16Å; L47-L51 HydrophobicContact CD1-CG 4.17Å; L47-L51 HydrophobicContact CG-CD1 4.27Å; L47-L51 WeakPolarHBondContact O-CG 3.45Å; L47-L51 PolarHBondContact O-N 2.83Å; L47-W110 HydrophobicContact CD1-CB 3.8Å; L47-W110 HydrophobicContact CD1-CD2 3.94Å; L47-W110 HydrophobicContact CD1-CG 3.55Å; L47-W110 HydrophobicContact CD2-CD2 4.1Å; L47-W110 HydrophobicContact CD2-CG 4.21Å; L47-W110 HydrophobicContact CD2-CZ2 4.21Å; L47-Y115 HydrophobicContact CB-CD1 3.62Å; L47-Y115 HydrophobicContact CB-CE1 4.05Å; L47-Y115 HydrophobicContact CB-CG 4.1Å; L47-Y115 HydrophobicContact CD1-CD1 4.01Å; L47-Y115 HydrophobicContact CD1-CD2 3.91Å; L47-Y115 HydrophobicContact CD1-CE1 4.12Å; L47-Y115 HydrophobicContact CD1-CE2 4.07Å; L47-Y115 HydrophobicContact CD1-CG 3.89Å; L47-Y115 HydrophobicContact CD2-CG 4.37Å; L47-Y115 HydrophobicContact CG-CD1 4.3Å; L47-Y115 HydrophobicContact CG-CG 4.34Å; L47-I118 HydrophobicContact CD2-CB 4.3Å; L47-I118 HydrophobicContact CD2-CG2 4.08Å; L47-V121 HydrophobicContact CD2-CG1 3.6Å; L47-V121 HydrophobicContact CG-CG1 4.29Å
48I94.4Very high86Confident34 Ų3486.9 Ų86.917%0.17442%0.416CS..Hα-helixtrans-59.6-43.2179.3-68.2168.3000110.5E44 M50 L51 L52 V121E44-I48 HydrophobicContact CG-CD1 4.07Å; E44-I48 WeakPolarHBondContact O-CG1 3.35Å; E44-I48 PolarHBondContact O-N 3.45Å; I48-M50 VanDerWaalsContact C-N 3.32Å; I48-M50 PolarHBondContact O-N 2.92Å; I48-L51 PolarHBondContact O-N 3.27Å; I48-L52 HydrophobicContact CG2-CD1 3.84Å; I48-L52 HydrophobicContact CG2-CG 4.22Å; I48-L52 WeakPolarHBondContact O-CB 3.5Å; I48-L52 VanDerWaalsContact O-CG 3.29Å; I48-L52 WeakPolarHBondContact O-CG 3.46Å; I48-L52 PolarHBondContact O-N 3.33Å; I48-V121 HydrophobicContact CD1-CB 4.48Å; I48-V121 HydrophobicContact CG1-CB 4.16Å; I48-V121 HydrophobicContact CG1-CG1 4.29Å
49R93.4Very high87.7Confident128 Ų12881.7 Ų81.748%0.48340%0.397SS..Hα-helixtrans-62-40.5177.3-169-177.7-57.2104.43.8111.9K45 D46 L47 N53K45-R49 WeakPolarHBondContact O-CB 3.42Å; K45-R49 PolarHBondContact O-N 3.3Å; D46-R49 PolarHBondContact O-N 3.49Å; D46-R49 IonicContact OD1-CZ 3.8Å; D46-R49 IonicContact OD1-NH1 2.7Å; D46-R49 PolarHBondContact OD1-NH1 3.48Å; L47-R49 VanDerWaalsContact C-N 3.31Å; L47-R49 PolarHBondContact O-N 3.1Å; R49-N53 VanDerWaalsContact O-CB 3.32Å; R49-N53 WeakPolarHBondContact O-CB 3.28Å; R49-N53 PolarHBondContact O-N 2.51Å; R49-N53 PolarHBondContact O-OD1 3.24Å
50M93.9Very high89.3Confident46 Ų4675.7 Ų75.723%0.22737%0.374CS..Hα-helixtrans-62.8-46.9176.3-179.4-77-62.400111.6D46 L47 I48 L52 N53 R54 W110 Y115D46-M50 WeakPolarHBondContact O-CB 3.29Å; D46-M50 PolarHBondContact O-N 2.93Å; L47-M50 HydrophobicContact CD1-CE 3.74Å; L47-M50 WeakPolarHBondContact O-CB 3.41Å; L47-M50 PolarHBondContact O-N 2.9Å; L47-M50 VanDerWaalsContact O-N 3.15Å; I48-M50 VanDerWaalsContact C-N 3.32Å; I48-M50 PolarHBondContact O-N 2.92Å; M50-L52 PolarHBondContact O-N 3.31Å; M50-N53 PolarHBondContact O-N 3.05Å; M50-R54 PolarHBondContact O-N 2.74Å; M50-R54 PolarHBondContact SD-NH2 2.59Å; M50-W110 HydrophobicContact CE-CB 4.35Å; M50-Y115 HydrophobicContact CE-CE2 4.38Å
51L94.6Very high90.4Very high0 Ų078.4 Ų78.40%038%0.382CS..Hα-helixtrans-61.5-44.4177.7-66.3175.8000111.8L47 I48 R54 Y55 L108 W110 V121 I123L47-L51 HydrophobicContact CD1-CD1 4.16Å; L47-L51 HydrophobicContact CD1-CG 4.17Å; L47-L51 HydrophobicContact CG-CD1 4.27Å; L47-L51 WeakPolarHBondContact O-CG 3.45Å; L47-L51 PolarHBondContact O-N 2.83Å; I48-L51 PolarHBondContact O-N 3.27Å; L51-R54 WeakPolarHBondContact O-CB 3.2Å; L51-R54 PolarHBondContact O-N 3.5Å; L51-Y55 PolarHBondContact O-N 3.17Å; L51-Y55 VanDerWaalsContact O-N 3.12Å; L51-L108 HydrophobicContact CB-CD2 4.31Å; L51-L108 HydrophobicContact CD1-CD2 4.49Å; L51-W110 HydrophobicContact CD1-CE3 3.81Å; L51-W110 HydrophobicContact CD1-CZ3 3.99Å; L51-W110 HydrophobicContact CD2-CE3 4.2Å; L51-V121 HydrophobicContact CD1-CG2 4.08Å; L51-I123 HydrophobicContact CD1-CD1 4.37Å
52L94.2Very high91.1Very high25 Ų2572.7 Ų72.713%0.13137%0.367CS..Hα-helixtrans-67.5-42.5178.9-68.8-179.9000112.5I48 M50 R54 Y55 E56 I123 Q127 I128I48-L52 HydrophobicContact CG2-CD1 3.84Å; I48-L52 HydrophobicContact CG2-CG 4.22Å; I48-L52 WeakPolarHBondContact O-CB 3.5Å; I48-L52 VanDerWaalsContact O-CG 3.29Å; I48-L52 WeakPolarHBondContact O-CG 3.46Å; I48-L52 PolarHBondContact O-N 3.33Å; M50-L52 PolarHBondContact O-N 3.31Å; L52-R54 PolarHBondContact O-N 3.21Å; L52-Y55 WeakPolarHBondContact O-CB 3.17Å; L52-Y55 PolarHBondContact O-N 3.49Å; L52-E56 WeakPolarHBondContact O-CG 3.37Å; L52-E56 PolarHBondContact O-N 3.28Å; L52-I123 HydrophobicContact CD2-CG2 3.92Å; L52-Q127 HydrophobicContact CD2-CB 3.67Å; L52-I128 HydrophobicContact CD2-CG2 4.46Å
53N94Very high91.4Very high74 Ų7472 Ų7240%0.39636%0.356SS..Hα-helixtrans-59.5-35.8174.6-74.3-0.2000111.6R49 M50 E56 Q57R49-N53 VanDerWaalsContact O-CB 3.32Å; R49-N53 WeakPolarHBondContact O-CB 3.28Å; R49-N53 PolarHBondContact O-N 2.51Å; R49-N53 PolarHBondContact O-OD1 3.24Å; M50-N53 PolarHBondContact O-N 3.05Å; N53-E56 PolarHBondContact O-N 2.96Å; N53-Q57 VanDerWaalsContact O-CG 3.28Å; N53-Q57 WeakPolarHBondContact O-CG 3.47Å; N53-Q57 PolarHBondContact O-N 3.17Å; N53-Q57 VanDerWaalsContact O-N 3.1Å
54R92.5Very high91.5Very high72 Ų7269 Ų6927%0.27234%0.338SS..Hα-helixtrans-63.2-46.6173.6-170.5-175.3-66.2158.7-5110.7M50 L51 L52 E56 Q57 F58 L107 R109M50-R54 PolarHBondContact O-N 2.74Å; M50-R54 PolarHBondContact SD-NH2 2.59Å; L51-R54 WeakPolarHBondContact O-CB 3.2Å; L51-R54 PolarHBondContact O-N 3.5Å; L52-R54 PolarHBondContact O-N 3.21Å; R54-E56 VanDerWaalsContact C-N 3.34Å; R54-E56 PolarHBondContact O-N 2.55Å; R54-Q57 WeakPolarHBondContact O-CB 3.49Å; R54-Q57 PolarHBondContact O-N 3.31Å; R54-F58 HydrophobicContact CG-CD2 3.82Å; R54-F58 HydrophobicContact CG-CE2 3.84Å; R54-F58 VanDerWaalsContact O-CD2 3.27Å; R54-F58 WeakPolarHBondContact O-CD2 3.39Å; R54-F58 PolarHBondContact O-N 3.3Å; R54-L107 VanDerWaalsContact CD-O 3.31Å; R54-L107 WeakPolarHBondContact CD-O 3.46Å; R54-L107 PolarHBondContact NH1-O 3.11Å; R54-R109 PolarHBondContact NH1-O 2.81Å
55Y91.7Very high91.4Very high2 Ų267 Ų671%0.00833%0.331CS..Hα-helixtrans-61.9-38.8174.5-94.4-94.9000113.9L51 L52 Q57 F58 G59 D105 L107 L108 I128L51-Y55 PolarHBondContact O-N 3.17Å; L51-Y55 VanDerWaalsContact O-N 3.12Å; L52-Y55 WeakPolarHBondContact O-CB 3.17Å; L52-Y55 PolarHBondContact O-N 3.49Å; Y55-Q57 PolarHBondContact O-N 3.28Å; Y55-F58 PolarHBondContact O-N 2.81Å; Y55-G59 CarbonylContact O-C 3.51Å; Y55-G59 VanDerWaalsContact O-C 3.3Å; Y55-G59 VanDerWaalsContact O-CA 3.28Å; Y55-G59 WeakPolarHBondContact O-CA 3.32Å; Y55-G59 PolarHBondContact O-N 2.93Å; Y55-D105 PolarHBondContact OH-OD1 3.26Å; Y55-D105 VanDerWaalsContact OH-OD1 3.05Å; Y55-D105 PolarHBondContact OH-OD2 2.87Å; Y55-L107 HydrophobicContact CD1-CD1 4.36Å; Y55-L107 HydrophobicContact CD2-CB 4.18Å; Y55-L107 HydrophobicContact CE1-CD1 4.11Å; Y55-L107 HydrophobicContact CE2-CB 3.57Å; Y55-L107 HydrophobicContact CE2-CD1 4.44Å; Y55-L108 HydrophobicContact CD2-CD2 4.07Å; Y55-L108 HydrophobicContact CE2-CD1 4.26Å; Y55-L108 HydrophobicContact CE2-CD2 3.33Å; Y55-L108 HydrophobicContact CE2-CG 3.47Å; Y55-L108 VanDerWaalsContact CE2-CG 3.47Å; Y55-L108 VanDerWaalsContact OH-CD1 3.28Å; Y55-L108 WeakPolarHBondContact OH-CD1 3.21Å; Y55-L108 WeakPolarHBondContact OH-CG 3.36Å; Y55-I128 HydrophobicContact CD1-CB 4.48Å; Y55-I128 HydrophobicContact CD1-CG2 4.42Å; Y55-I128 HydrophobicContact CD2-CG2 4.29Å; Y55-I128 HydrophobicContact CE1-CB 4.05Å; Y55-I128 HydrophobicContact CE1-CG2 4.24Å; Y55-I128 HydrophobicContact CE2-CG2 4.13Å; Y55-I128 HydrophobicContact CG-CG2 4.37Å
56E88.8Confident91.1Very high142 Ų14267 Ų6766%0.66434%0.338SS*.Hα-helixtrans-62.5-34.9176.5-72.7178.6-177.500111.5L52 N53 R54L52-E56 WeakPolarHBondContact O-CG 3.37Å; L52-E56 PolarHBondContact O-N 3.28Å; N53-E56 PolarHBondContact O-N 2.96Å; R54-E56 VanDerWaalsContact C-N 3.34Å; R54-E56 PolarHBondContact O-N 2.55Å
57Q90.7Very high91Very high159 Ų15968 Ų6874%0.74334%0.343SS*.Hα-helixtrans-72.1-43.4176.4-71.7171.53.800113.2N53 R54 Y55N53-Q57 VanDerWaalsContact O-CG 3.28Å; N53-Q57 WeakPolarHBondContact O-CG 3.47Å; N53-Q57 PolarHBondContact O-N 3.17Å; N53-Q57 VanDerWaalsContact O-N 3.1Å; R54-Q57 WeakPolarHBondContact O-CB 3.49Å; R54-Q57 PolarHBondContact O-N 3.31Å; Y55-Q57 PolarHBondContact O-N 3.28Å
58F88.3Confident90.7Very high144 Ų14472.3 Ų72.363%0.63237%0.373SS*.Hα-helixtrans-83.3-20.5-179.3-76-81.8000113.3R54 Y55 L107R54-F58 HydrophobicContact CG-CD2 3.82Å; R54-F58 HydrophobicContact CG-CE2 3.84Å; R54-F58 VanDerWaalsContact O-CD2 3.27Å; R54-F58 WeakPolarHBondContact O-CD2 3.39Å; R54-F58 PolarHBondContact O-N 3.3Å; Y55-F58 PolarHBondContact O-N 2.81Å; F58-L107 HydrophobicContact CB-CD1 4.02Å; F58-L107 HydrophobicContact CB-CD2 4.39Å; F58-L107 HydrophobicContact CD1-CD2 4.35Å; F58-L107 HydrophobicContact CD2-CD2 3.78Å; F58-L107 HydrophobicContact CE2-CD2 4.14Å; F58-L107 HydrophobicContact CG-CD1 4.44Å; F58-L107 HydrophobicContact CG-CD2 3.92Å
59G87.5Confident90.5Very high35 Ų3579.1 Ų79.136%0.36140%0.402SS..  trans95.3144.2-173.900000112.9Y55Y55-G59 CarbonylContact O-C 3.51Å; Y55-G59 VanDerWaalsContact O-C 3.3Å; Y55-G59 VanDerWaalsContact O-CA 3.28Å; Y55-G59 WeakPolarHBondContact O-CA 3.32Å; Y55-G59 PolarHBondContact O-N 2.93Å
60I87Confident90.5Very high65 Ų6577.2 Ų77.233%0.33340%0.4SS..SBendtrans-84.2-26.4175.9-57.9170.1000111
61I86.9Confident90.5Very high176 Ų17679.4 Ų79.490%0.90341%0.408SS*.SBendtrans-87.8115.9-175-56.7173.5000109.3
62G88.3Confident90.5Very high33 Ų3379.8 Ų79.834%0.3441%0.41SS..SBendtrans121.7155.7178.800000112.5W129G62-W129 VanDerWaalsContact C-CD1 3.47Å; G62-W129 PolarHBondContact O-NE1 2.97Å
63R93Very high90.6Very high38 Ų3881.5 Ų81.514%0.14342%0.42CS..  trans-59.3139.5-178.9-67.3-179.9-64.5126.26.8110.7V65 S68 I70 V72 W129 Y194 Q198R63-V65 HydrophobicContact CB-CG2 4.1Å; R63-V65 PolarHBondContact O-N 2.88Å; R63-S68 PolarHBondContact NH2-O 2.96Å; R63-I70 PolarHBondContact NH1-O 2.94Å; R63-V72 HydrophobicContact CB-CG2 3.88Å; R63-V72 HydrophobicContact CG-CG2 4.21Å; R63-W129 HydrophobicContact CG-CZ2 4.01Å; R63-Y194 HydrophobicContact CG-CD1 4.18Å; R63-Y194 HydrophobicContact CG-CE1 3.65Å; R63-Y194 HydrophobicContact CG-CE2 4.48Å; R63-Q198 VanDerWaalsContact CD-O 3.31Å; R63-Q198 WeakPolarHBondContact CD-O 3.49Å; R63-Q198 PolarHBondContact NH1-O 2.97Å
64P91.1Very high90.7Very high9 Ų978 Ų786%0.05840%0.401CS..SBendtrans-80.457.1-175.233.8-38.9000112.7D105 S106 W129P64-D105 HydrophobicContact CB-CB 4.42Å; P64-D105 WeakPolarHBondContact CB-OD1 3.28Å; P64-D105 WeakPolarHBondContact CB-OD2 3.2Å; P64-D105 HydrophobicContact CG-CB 4.47Å; P64-D105 WeakPolarHBondContact CG-OD2 3.21Å; P64-S106 PolarHBondContact O-OG 3.47Å; P64-W129 VanDerWaalsContact CD-CD2 3.41Å; P64-W129 HydrophobicContact CG-CD2 4.17Å; P64-W129 HydrophobicContact CG-CE3 3.65Å; P64-W129 HydrophobicContact CG-CZ3 4.04Å
65V90.4Very high91Very high36 Ų3678.2 Ų78.222%0.21840%0.402CS..  trans-118.7142.3-177.8-65.70000110.3R63 D67 I70 V72R63-V65 HydrophobicContact CB-CG2 4.1Å; R63-V65 PolarHBondContact O-N 2.88Å; V65-D67 VanDerWaalsContact C-N 3.29Å; V65-D67 VanDerWaalsContact CG2-O 3.22Å; V65-D67 WeakPolarHBondContact CG2-O 3.45Å; V65-D67 PolarHBondContact O-N 3.3Å; V65-I70 HydrophobicContact CB-CB 4.28Å; V65-I70 HydrophobicContact CG1-CB 4.26Å; V65-I70 HydrophobicContact CG1-CG2 4.07Å; V65-V72 HydrophobicContact CG1-CG2 3.52Å
66N87.1Confident91.2Very high139 Ų13978.2 Ų78.274%0.74340%0.402SS*.SBendtrans-69.9-29.1176.5-65.5-16.9000112.4S106N66-S106 PolarHBondContact OD1-OG 2.74Å
67D89.4Confident91.6Very high71 Ų7171.5 Ų71.538%0.3837%0.371SS..SBendtrans-128.2133.1176.2-177.7-3.7000109.8V65 K69 I70V65-D67 VanDerWaalsContact C-N 3.29Å; V65-D67 VanDerWaalsContact CG2-O 3.22Å; V65-D67 WeakPolarHBondContact CG2-O 3.45Å; V65-D67 PolarHBondContact O-N 3.3Å; D67-K69 PolarHBondContact O-N 3.27Å; D67-K69 VanDerWaalsContact O-N 3.13Å; D67-K69 PolarHBondContact OD1-N 2.75Å; D67-I70 HydrophobicContact CB-CD1 3.96Å; D67-I70 HydrophobicContact CB-CG1 4.15Å; D67-I70 WeakPolarHBondContact O-CB 3.49Å; D67-I70 PolarHBondContact O-N 2.95Å
68S86.9Confident91.9Very high90 Ų9064 Ų6463%0.62934%0.336SS*.THydrogen-bonded Turntrans-50.4-29.8172.963.30000114.9R63 I70R63-S68 PolarHBondContact NH2-O 2.96Å; S68-I70 VanDerWaalsContact C-N 3.3Å; S68-I70 PolarHBondContact O-N 2.8Å
69K90.6Very high92.3Very high178 Ų17858 Ų5877%0.77431%0.31SS*.THydrogen-bonded Turntrans-74.2-19179.4-66.6179.9-179.6176.60113.7D67D67-K69 PolarHBondContact O-N 3.27Å; D67-K69 VanDerWaalsContact O-N 3.13Å; D67-K69 PolarHBondContact OD1-N 2.75Å
70I93.1Very high92.7Very high87 Ų8756.3 Ų56.345%0.44629%0.293SS..SBendtrans-78.2129.3179.7-61.8170.2000108.2R63 V65 D67 S68R63-I70 PolarHBondContact NH1-O 2.94Å; V65-I70 HydrophobicContact CB-CB 4.28Å; V65-I70 HydrophobicContact CG1-CB 4.26Å; V65-I70 HydrophobicContact CG1-CG2 4.07Å; D67-I70 HydrophobicContact CB-CD1 3.96Å; D67-I70 HydrophobicContact CB-CG1 4.15Å; D67-I70 WeakPolarHBondContact O-CB 3.49Å; D67-I70 PolarHBondContact O-N 2.95Å; S68-I70 VanDerWaalsContact C-N 3.3Å; S68-I70 PolarHBondContact O-N 2.8Å
71K93.5Very high93.1Very high93 Ų9356.1 Ų56.140%0.40429%0.29SS..PPolyproline II helixtrans-81148.3172.964.4174.4-176.8121.20111.3D73 Q198K71-D73 WeakPolarHBondContact CE-OD1 3.42Å; K71-D73 IonicContact NZ-OD1 2.75Å; K71-D73 PolarHBondContact NZ-OD1 2.67Å; K71-D73 IonicContact NZ-OD2 3.22Å; K71-D73 PolarHBondContact NZ-OD2 2.97Å; K71-Q198 WeakPolarHBondContact CA-O 3.47Å
72V94.9Very high93.5Very high7 Ų751.1 Ų51.14%0.04226%0.263CS..EExtended strand (participates in β ladder)trans-95.6121.1171.6-179.40000108.7R63 V65 V74 W129 Q198 M199 D200R63-V72 HydrophobicContact CB-CG2 3.88Å; R63-V72 HydrophobicContact CG-CG2 4.21Å; V65-V72 HydrophobicContact CG1-CG2 3.52Å; V72-V74 HydrophobicContact CG1-CG2 3.9Å; V72-W129 HydrophobicContact CG1-CH2 4.02Å; V72-W129 HydrophobicContact CG1-CZ3 4.19Å; V72-Q198 PolarHBondContact N-O 2.92Å; V72-M199 HydrophobicContact CB-CG 4.47Å; V72-M199 VanDerWaalsContact O-CA 3.29Å; V72-M199 WeakPolarHBondContact O-CA 3.4Å; V72-M199 WeakPolarHBondContact O-CG 3.42Å; V72-D200 PolarHBondContact O-N 2.79Å
73D96Very high93.8Very high62 Ų6249.8 Ų49.833%0.33225%0.248SC..EExtended strand (participates in β ladder)trans-93.1118.2173.9-69.3-16.5000109.3K71 L202K71-D73 WeakPolarHBondContact CE-OD1 3.42Å; K71-D73 IonicContact NZ-OD1 2.75Å; K71-D73 PolarHBondContact NZ-OD1 2.67Å; K71-D73 IonicContact NZ-OD2 3.22Å; K71-D73 PolarHBondContact NZ-OD2 2.97Å; D73-L202 HydrophobicContact CB-CD1 3.95Å
74V97.4Very high93.8Very high0 Ų051.9 Ų51.90%026%0.261CS..EExtended strand (participates in β ladder)trans-112.3114.6178-176.50000108.5V72 W103 P131 I133 M199 D200 I201 L202V72-V74 HydrophobicContact CG1-CG2 3.9Å; V74-W103 HydrophobicContact CG2-CB 4.03Å; V74-P131 HydrophobicContact CG1-CB 4.32Å; V74-P131 HydrophobicContact CG1-CG 4.1Å; V74-P131 HydrophobicContact CG2-CB 4.13Å; V74-I133 HydrophobicContact CB-CD1 4.49Å; V74-I133 HydrophobicContact CG1-CD1 3.88Å; V74-M199 HydrophobicContact CB-CE 4Å; V74-M199 HydrophobicContact CG2-CE 3.62Å; V74-M199 HydrophobicContact CG2-CG 4.16Å; V74-M199 HydrophobicContact CG2-SD 4.08Å; V74-D200 PolarHBondContact N-O 2.88Å; V74-I201 WeakPolarHBondContact O-CA 3.34Å; V74-L202 PolarHBondContact O-N 3.44Å
75R97.5Very high93.9Very high76 Ų7654 Ų5429%0.28727%0.272SS..EExtended strand (participates in β ladder)trans-77.9123.2170.2-64.4-170.4178.9-74.8-0108.8H101 K102 L202 W203 E213R75-H101 WeakPolarHBondContact O-CA 3.49Å; R75-K102 HydrophobicContact CB-CB 4.26Å; R75-K102 PolarHBondContact N-O 3.22Å; R75-K102 PolarHBondContact O-N 3.3Å; R75-L202 WeakPolarHBondContact CA-O 3.36Å; R75-L202 HydrophobicContact CG-CB 4.27Å; R75-W203 PolarHBondContact NH1-O 3.42Å; R75-E213 IonicContact NH1-OE1 2.74Å
76Y97.6Very high94Very high2 Ų252.3 Ų52.31%0.00826%0.262CS..EExtended strand (participates in β ladder)trans-119.9132.3-178.3-173.6-95.8000110.6L78 C99 M100 H101 I133 F189 I201 L202 W204 L272 Y274Y76-L78 HydrophobicContact CE1-CB 4.36Å; Y76-C99 HydrophobicContact CE2-CB 4.14Å; Y76-M100 CarbonylContact C-O 3.54Å; Y76-M100 VanDerWaalsContact CA-O 3.28Å; Y76-M100 WeakPolarHBondContact CA-O 3.21Å; Y76-H101 AromaticContact CD2-CD2 3.69Å; Y76-H101 AromaticContact CD2-NE2 3.79Å; Y76-H101 AromaticContact CE2-CD2 3.88Å; Y76-H101 AromaticContact CE2-CE1 3.91Å; Y76-H101 AromaticContact CE2-NE2 3.46Å; Y76-H101 WeakPolarHBondContact CE2-NE2 3.39Å; Y76-I133 HydrophobicContact CD2-CD1 3.88Å; Y76-I133 HydrophobicContact CD2-CG2 4.17Å; Y76-I133 HydrophobicContact CE2-CG2 3.97Å; Y76-I133 HydrophobicContact CG-CD1 4.34Å; Y76-F189 HydrophobicContact CD1-CB 4.5Å; Y76-F189 HydrophobicContact CE1-CB 3.94Å; Y76-F189 HydrophobicContact CE1-CD1 4.26Å; Y76-F189 AromaticContact CE1-CD2 3.89Å; Y76-F189 HydrophobicContact CE1-CD2 3.89Å; Y76-F189 HydrophobicContact CE1-CE2 4.47Å; Y76-F189 AromaticContact CE1-CG 3.75Å; Y76-F189 HydrophobicContact CE1-CG 3.75Å; Y76-F189 AromaticContact CZ-CD1 3.91Å; Y76-F189 AromaticContact CZ-CG 3.89Å; Y76-F189 VanDerWaalsContact OH-CD1 3.28Å; Y76-F189 WeakPolarHBondContact OH-CD1 3.19Å; Y76-F189 VanDerWaalsContact OH-CE1 3.29Å; Y76-F189 WeakPolarHBondContact OH-CE1 3.31Å; Y76-I201 HydrophobicContact CG-CG2 4.46Å; Y76-L202 PolarHBondContact N-O 3.04Å; Y76-W204 PolarHBondContact O-N 3.28Å; Y76-L272 HydrophobicContact CD1-CD1 3.93Å; Y76-L272 HydrophobicContact CG-CD1 4.39Å; Y76-Y274 AromaticContact CD1-CE2 3.89Å; Y76-Y274 HydrophobicContact CD1-CE2 3.89Å; Y76-Y274 AromaticContact CE1-CE2 3.72Å; Y76-Y274 HydrophobicContact CE1-CE2 3.72Å; Y76-Y274 PolarHBondContact O-OH 3.23Å
77G96.5Very high94.1Very high2 Ų246.9 Ų46.92%0.02123%0.233CC..EExtended strand (participates in β ladder)trans-132.1150.6173.600000110.4M100 Y274G77-M100 PolarHBondContact N-O 3.17Å; G77-M100 PolarHBondContact O-N 2.85Å; G77-Y274 WeakPolarHBondContact CA-OH 3.35Å
78L97Very high94.1Very high1 Ų145.1 Ų45.11%0.00522%0.222CC..EExtended strand (participates in β ladder)trans-123.4125.6176.4-169.170.6000108.6Y76 C97 F167 L187 F189 L217 D218 Y274Y76-L78 HydrophobicContact CE1-CB 4.36Å; L78-C97 HydrophobicContact CD1-CB 3.66Å; L78-C97 HydrophobicContact CG-CB 4.24Å; L78-F167 HydrophobicContact CD1-CE2 4.11Å; L78-L187 HydrophobicContact CD2-CB 4.45Å; L78-L187 HydrophobicContact CD2-CD1 3.72Å; L78-F189 HydrophobicContact CD1-CE2 4.09Å; L78-F189 HydrophobicContact CD1-CZ 3.97Å; L78-F189 HydrophobicContact CD2-CD2 4.41Å; L78-F189 HydrophobicContact CD2-CE2 3.49Å; L78-F189 VanDerWaalsContact CD2-CE2 3.49Å; L78-F189 HydrophobicContact CD2-CZ 4.06Å; L78-F189 HydrophobicContact CG-CE2 4.39Å; L78-L217 HydrophobicContact CB-CD1 3.77Å; L78-L217 HydrophobicContact CD2-CD1 3.51Å; L78-L217 HydrophobicContact CG-CD1 3.56Å; L78-L217 WeakPolarHBondContact O-CD1 3.22Å; L78-D218 PolarHBondContact O-N 3.22Å; L78-Y274 HydrophobicContact CB-CD1 4.13Å; L78-Y274 HydrophobicContact CB-CD2 4.15Å; L78-Y274 HydrophobicContact CB-CE1 3.88Å; L78-Y274 HydrophobicContact CB-CE2 3.89Å; L78-Y274 HydrophobicContact CB-CG 4.25Å; L78-Y274 HydrophobicContact CD2-CD2 3.96Å; L78-Y274 HydrophobicContact CD2-CE2 4.47Å; L78-Y274 HydrophobicContact CD2-CG 3.96Å
79Q95.9Very high94Very high17 Ų1744.8 Ų44.88%0.07921%0.213CC..EExtended strand (participates in β ladder)trans-115121.9175.5179.7-170.943.300108.5C97 W98 M100 D218 D221Q79-C97 CarbonylContact O-C 3.57Å; Q79-C97 WeakPolarHBondContact O-CA 3.45Å; Q79-C97 WeakPolarHBondContact O-CB 3.36Å; Q79-W98 HydrophobicContact CB-CB 4.16Å; Q79-W98 PolarHBondContact N-O 2.57Å; Q79-W98 PolarHBondContact O-N 3.07Å; Q79-M100 HydrophobicContact CB-CE 4.26Å; Q79-D218 CarbonylContact C-O 3.59Å; Q79-D218 WeakPolarHBondContact CA-O 3.46Å; Q79-D218 HydrophobicContact CB-CB 3.89Å; Q79-D218 HydrophobicContact CG-CB 3.9Å; Q79-D218 WeakPolarHBondContact CG-OD2 3.4Å; Q79-D218 PolarHBondContact NE2-OD2 2.92Å; Q79-D221 PolarHBondContact NE2-OD2 3.15Å
80L96.5Very high93.9Very high0 Ų042.8 Ų42.80%021%0.205CC..EExtended strand (participates in β ladder)trans-85.4115.9179-17867.4000109.5I83 T95 C97 L217 D218 F219 Y222 I276L80-I83 HydrophobicContact CD2-CD1 4.31Å; L80-I83 HydrophobicContact CD2-CG1 3.92Å; L80-T95 HydrophobicContact CD1-CG2 3.69Å; L80-C97 VanDerWaalsContact CD1-SG 3.56Å; L80-L217 HydrophobicContact CB-CD1 4.19Å; L80-L217 HydrophobicContact CB-CD2 3.43Å; L80-L217 VanDerWaalsContact CB-CD2 3.43Å; L80-L217 HydrophobicContact CB-CG 3.85Å; L80-L217 HydrophobicContact CD2-CD2 3.69Å; L80-L217 HydrophobicContact CG-CD2 4.12Å; L80-D218 PolarHBondContact N-O 3.43Å; L80-F219 HydrophobicContact CD2-CD1 4.34Å; L80-F219 HydrophobicContact CD2-CE1 3.57Å; L80-F219 HydrophobicContact CD2-CZ 3.88Å; L80-Y222 HydrophobicContact CD2-CD2 4.08Å; L80-Y222 HydrophobicContact CD2-CE2 3.93Å; L80-Y222 HydrophobicContact CG-CD2 4.01Å; L80-Y222 HydrophobicContact CG-CE2 4.2Å; L80-I276 HydrophobicContact CD2-CD1 4.48Å
81F95.1Very high93.8Very high61 Ų6141.7 Ų41.727%0.26820%0.198SC..EExtended strand (participates in β ladder)trans-87-44.5176.7-175.4-99.8000111.2N96 W98 D221 Y222 V223F81-N96 WeakPolarHBondContact CA-O 3.42Å; F81-N96 WeakPolarHBondContact CB-O 2.99Å; F81-N96 WeakPolarHBondContact CD1-ND2 3.35Å; F81-N96 PolarHBondContact N-O 2.88Å; F81-W98 AromaticContact CD2-NE1 3.85Å; F81-D221 HydrophobicContact CD2-CB 4.16Å; F81-D221 WeakPolarHBondContact CD2-O 3.29Å; F81-D221 HydrophobicContact CE2-CB 4.5Å; F81-Y222 WeakPolarHBondContact O-CA 3.4Å; F81-V223 HydrophobicContact CE1-CG2 4.38Å; F81-V223 HydrophobicContact CZ-CG2 4.19Å; F81-V223 PolarHBondContact O-N 2.79Å
82Q95Very high93.7Very high72 Ų7238.3 Ų38.334%0.33618%0.184SC..EExtended strand (participates in β ladder)trans-156.1141.8-178.4-168.6178.914.800111.7L84 N96Q82-L84 HydrophobicContact CG-CD2 4.2Å; Q82-N96 HydrophobicContact CB-CB 4.28Å; Q82-N96 PolarHBondContact N-O 2.8Å; Q82-N96 VanDerWaalsContact N-O 3.15Å; Q82-N96 PolarHBondContact O-N 2.8Å
83I95.6Very high93.7Very high5 Ų538 Ų383%0.02618%0.182CC..EExtended strand (participates in β ladder)trans-88.2113.4162.3-59.9170.6000106.8L80 L93 Y222 T230 L278L80-I83 HydrophobicContact CD2-CD1 4.31Å; L80-I83 HydrophobicContact CD2-CG1 3.92Å; I83-L93 HydrophobicContact CG2-CD1 4.2Å; I83-Y222 HydrophobicContact CD1-CE2 4.36Å; I83-Y222 WeakPolarHBondContact CD1-OH 3.47Å; I83-Y222 HydrophobicContact CG1-CE2 4.09Å; I83-T230 HydrophobicContact CD1-CG2 3.63Å; I83-L278 HydrophobicContact CD1-CD2 3.35Å
84L93.2Very high93.6Very high81 Ų8138.4 Ų38.442%0.42418%0.179SC..EExtended strand (participates in β ladder)trans-81-46.2-178.5-66.6176.9000111.3Q82 R94 L166Q82-L84 HydrophobicContact CG-CD2 4.2Å; L84-R94 HydrophobicContact CB-CB 4.08Å; L84-R94 PolarHBondContact N-O 2.87Å; L84-L166 HydrophobicContact CD1-CD1 3.28Å; L84-L166 HydrophobicContact CD1-CD2 4.47Å; L84-L166 HydrophobicContact CD1-CG 4.49Å
85D92Very high93.5Very high54 Ų5438.4 Ų38.429%0.28918%0.179SC..EExtended strand (participates in β ladder)trans-166.4149-174.3-170.717.3000110.5R94D85-R94 HydrophobicContact CB-CB 4.3Å; D85-R94 HydrophobicContact CB-CG 4.37Å; D85-R94 PolarHBondContact N-O 2.97Å; D85-R94 PolarHBondContact O-N 2.81Å
86L92.6Very high93.3Very high1 Ų135.9 Ų35.91%0.00517%0.171CC..EExtended strand (participates in β ladder)trans-121.496.1165.1177.663.1000106.9E88 L93 C171 V173 Q183 W228 L278L86-E88 HydrophobicContact CG-CG 4.39Å; L86-E88 PolarHBondContact O-N 3.15Å; L86-L93 HydrophobicContact CB-CD1 4.23Å; L86-L93 HydrophobicContact CD1-CB 3.88Å; L86-L93 HydrophobicContact CD1-CD1 3.99Å; L86-C171 HydrophobicContact CD1-CB 4.28Å; L86-V173 HydrophobicContact CD1-CG2 4.28Å; L86-V173 HydrophobicContact CD2-CG2 4.21Å; L86-V173 HydrophobicContact CG-CG2 4.35Å; L86-Q183 HydrophobicContact CD2-CB 4.41Å; L86-Q183 HydrophobicContact CD2-CG 4.13Å; L86-W228 HydrophobicContact CB-CZ2 4.14Å; L86-W228 HydrophobicContact CD2-CH2 3.74Å; L86-W228 HydrophobicContact CD2-CZ2 3.63Å; L86-W228 HydrophobicContact CD2-CZ3 4.4Å; L86-W228 HydrophobicContact CG-CZ2 4.34Å; L86-L278 HydrophobicContact CD2-CD1 4.21Å
87D90.3Very high93.2Very high24 Ų2435.8 Ų35.813%0.12817%0.171CC..EExtended strand (participates in β ladder)trans-73.295.2178.3-174.4-26.2000107.9N89 K90 Q91 I92D87-N89 VanDerWaalsContact C-N 3.26Å; D87-N89 PolarHBondContact O-N 3.34Å; D87-N89 PolarHBondContact OD1-N 3.25Å; D87-K90 HydrophobicContact CB-CB 4.42Å; D87-K90 PolarHBondContact O-N 3.39Å; D87-K90 PolarHBondContact OD1-N 2.81Å; D87-K90 VanDerWaalsContact OD2-CD 3.26Å; D87-K90 WeakPolarHBondContact OD2-CD 3.14Å; D87-K90 IonicContact OD2-NZ 3.3Å; D87-K90 PolarHBondContact OD2-NZ 3.04Å; D87-Q91 WeakPolarHBondContact O-CA 3.45Å; D87-Q91 PolarHBondContact O-N 3.11Å; D87-I92 HydrophobicContact CB-CB 4.47Å; D87-I92 PolarHBondContact N-O 3.24Å; D87-I92 PolarHBondContact O-N 2.95Å
88E88.2Confident93.2Very high34 Ų3439.4 Ų39.416%0.15918%0.184CC..THydrogen-bonded Turntrans-69.2-26.9-173.7-55.2112.8148.300112.3L86 V173 R280 P336L86-E88 HydrophobicContact CG-CG 4.39Å; L86-E88 PolarHBondContact O-N 3.15Å; E88-V173 HydrophobicContact CB-CG1 4.26Å; E88-V173 HydrophobicContact CB-CG2 4.36Å; E88-V173 HydrophobicContact CG-CG1 4.08Å; E88-V173 HydrophobicContact CG-CG2 4.36Å; E88-R280 IonicContact OE1-CZ 2.68Å; E88-R280 VanDerWaalsContact OE1-CZ 3.26Å; E88-R280 IonicContact OE1-NH1 2.75Å; E88-R280 PolarHBondContact OE1-NH1 2.88Å; E88-R280 IonicContact OE1-NH2 2.8Å; E88-R280 PolarHBondContact OE1-NH2 2.9Å; E88-P336 VanDerWaalsContact C-CB 3.46Å; E88-P336 HydrophobicContact CB-CB 3.74Å; E88-P336 HydrophobicContact CB-CG 3.68Å; E88-P336 WeakPolarHBondContact O-CB 3.33Å
89N86.1Confident93.1Very high83 Ų8339.4 Ų39.444%0.44418%0.184SC..THydrogen-bonded Turntrans-69.7-41.9177.4-77.4-53000111.9D87 P336 S337 A338D87-N89 VanDerWaalsContact C-N 3.26Å; D87-N89 PolarHBondContact O-N 3.34Å; D87-N89 PolarHBondContact OD1-N 3.25Å; N89-P336 WeakPolarHBondContact OD1-CA 3.49Å; N89-P336 WeakPolarHBondContact OD1-CB 3.21Å; N89-S337 PolarHBondContact OD1-N 2.9Å; N89-S337 VanDerWaalsContact OD1-N 3.13Å; N89-A338 WeakPolarHBondContact O-CB 3.49Å
90K87.8Confident93.2Very high136 Ų13639.6 Ų39.659%0.59119%0.185SC*.THydrogen-bonded Turntrans-90.6-6.5178.3-61.5-176.2-166139.10113.2D87 I92D87-K90 HydrophobicContact CB-CB 4.42Å; D87-K90 PolarHBondContact O-N 3.39Å; D87-K90 PolarHBondContact OD1-N 2.81Å; D87-K90 VanDerWaalsContact OD2-CD 3.26Å; D87-K90 WeakPolarHBondContact OD2-CD 3.14Å; D87-K90 IonicContact OD2-NZ 3.3Å; D87-K90 PolarHBondContact OD2-NZ 3.04Å; K90-I92 VanDerWaalsContact C-N 3.33Å; K90-I92 HydrophobicContact CB-CD1 3.77Å; K90-I92 HydrophobicContact CB-CG1 3.82Å; K90-I92 HydrophobicContact CD-CD1 4.34Å; K90-I92 WeakPolarHBondContact O-CG1 3.47Å
91Q91.1Very high93.2Very high65 Ų6539.9 Ų39.930%0.30419%0.186SC..THydrogen-bonded Turntrans57.943.8-174.6-61-176.9-19.500112D87 T170 C171 A338D87-Q91 WeakPolarHBondContact O-CA 3.45Å; D87-Q91 PolarHBondContact O-N 3.11Å; Q91-T170 WeakPolarHBondContact O-CA 3.44Å; Q91-C171 CarbonylContact C-O 3.53Å; Q91-C171 WeakPolarHBondContact CA-O 3.33Å; Q91-C171 VanDerWaalsContact CB-O 3.3Å; Q91-C171 WeakPolarHBondContact CB-O 3.4Å; Q91-C171 PolarHBondContact O-N 2.87Å; Q91-A338 PolarHBondContact NE2-O 2.81Å
92I92.5Very high93.3Very high22 Ų2239.5 Ų39.511%0.11319%0.185CC..EExtended strand (participates in β ladder)trans-120.5122.3-176.1-56.9178.8000110.7D87 K90 R94 A139 K168 S169D87-I92 HydrophobicContact CB-CB 4.47Å; D87-I92 PolarHBondContact N-O 3.24Å; D87-I92 PolarHBondContact O-N 2.95Å; K90-I92 VanDerWaalsContact C-N 3.33Å; K90-I92 HydrophobicContact CB-CD1 3.77Å; K90-I92 HydrophobicContact CB-CG1 3.82Å; K90-I92 HydrophobicContact CD-CD1 4.34Å; K90-I92 WeakPolarHBondContact O-CG1 3.47Å; I92-R94 HydrophobicContact CG2-CG 4.4Å; I92-A139 HydrophobicContact CB-CB 4.42Å; I92-A139 HydrophobicContact CD1-CB 3.84Å; I92-A139 HydrophobicContact CG1-CB 3.75Å; I92-A139 HydrophobicContact CG2-CB 3.96Å; I92-K168 HydrophobicContact CG2-CB 4.11Å; I92-S169 CarbonylContact C-O 3.49Å; I92-S169 WeakPolarHBondContact CA-O 3.39Å
93L94.4Very high93.4Very high1 Ų136.3 Ų36.31%0.00517%0.17CC..EExtended strand (participates in β ladder)trans-91.6129.3169.9178.669.4000110.3I83 L86 T95 K168 S169 C171 C185 L278I83-L93 HydrophobicContact CG2-CD1 4.2Å; L86-L93 HydrophobicContact CB-CD1 4.23Å; L86-L93 HydrophobicContact CD1-CB 3.88Å; L86-L93 HydrophobicContact CD1-CD1 3.99Å; L93-T95 HydrophobicContact CD1-CG2 4.23Å; L93-T95 HydrophobicContact CD2-CG2 3.8Å; L93-T95 HydrophobicContact CG-CG2 3.84Å; L93-K168 CarbonylContact O-C 3.54Å; L93-K168 WeakPolarHBondContact O-CA 3.43Å; L93-S169 PolarHBondContact N-O 2.89Å; L93-S169 PolarHBondContact O-N 3.15Å; L93-C171 HydrophobicContact CB-CB 4.11Å; L93-C185 HydrophobicContact CD2-CB 3.64Å; L93-L278 HydrophobicContact CD1-CD1 3.82Å
94R93.8Very high93.4Very high69 Ų6939.7 Ų39.726%0.2619%0.191SC..EExtended strand (participates in β ladder)trans-109.2115.6174.5-53.8-168.1-177.3158.88.2110.6L84 D85 I92 F167 K168L84-R94 HydrophobicContact CB-CB 4.08Å; L84-R94 PolarHBondContact N-O 2.87Å; D85-R94 HydrophobicContact CB-CB 4.3Å; D85-R94 HydrophobicContact CB-CG 4.37Å; D85-R94 PolarHBondContact N-O 2.97Å; D85-R94 PolarHBondContact O-N 2.81Å; I92-R94 HydrophobicContact CG2-CG 4.4Å; R94-F167 VanDerWaalsContact CA-O 3.32Å; R94-F167 WeakPolarHBondContact CA-O 3.41Å; R94-K168 HydrophobicContact CG-CG 4.21Å
95T94.6Very high93.5Very high0 Ų035.9 Ų35.90%017%0.17CC..EExtended strand (participates in β ladder)trans-126.3140.2-179.651.60000111.9L80 L93 L166 F167L80-T95 HydrophobicContact CD1-CG2 3.69Å; L93-T95 HydrophobicContact CD1-CG2 4.23Å; L93-T95 HydrophobicContact CD2-CG2 3.8Å; L93-T95 HydrophobicContact CG-CG2 3.84Å; T95-L166 WeakPolarHBondContact O-CD1 3.42Å; T95-F167 PolarHBondContact N-O 2.81Å; T95-F167 PolarHBondContact O-N 2.88Å
96N94.3Very high93.5Very high23 Ų2335 Ų3512%0.12317%0.169CC..EExtended strand (participates in β ladder)trans-97.8117.2166.8-177.84.9000108.1F81 Q82 Q164F81-N96 WeakPolarHBondContact CA-O 3.42Å; F81-N96 WeakPolarHBondContact CB-O 2.99Å; F81-N96 WeakPolarHBondContact CD1-ND2 3.35Å; F81-N96 PolarHBondContact N-O 2.88Å; Q82-N96 HydrophobicContact CB-CB 4.28Å; Q82-N96 PolarHBondContact N-O 2.8Å; Q82-N96 VanDerWaalsContact N-O 3.15Å; Q82-N96 PolarHBondContact O-N 2.8Å; N96-Q164 PolarHBondContact ND2-NE2 2.88Å; N96-Q164 WeakPolarHBondContact OD1-CG 3.39Å; N96-Q164 PolarHBondContact OD1-NE2 2.83Å
97C95.7Very high93.5Very high0 Ų036 Ų360%017%0.174CC..EExtended strand (participates in β ladder)trans-130.6149.5-175.4-59.40000111.9L78 Q79 L80 Q164 A165 F167L78-C97 HydrophobicContact CD1-CB 3.66Å; L78-C97 HydrophobicContact CG-CB 4.24Å; Q79-C97 CarbonylContact O-C 3.57Å; Q79-C97 WeakPolarHBondContact O-CA 3.45Å; Q79-C97 WeakPolarHBondContact O-CB 3.36Å; L80-C97 VanDerWaalsContact CD1-SG 3.56Å; C97-Q164 WeakPolarHBondContact O-CA 3.36Å; C97-A165 PolarHBondContact N-O 2.9Å; C97-A165 PolarHBondContact O-N 3.06Å; C97-F167 HydrophobicContact CB-CD2 3.92Å; C97-F167 HydrophobicContact CB-CE2 3.93Å
98W95.7Very high93.7Very high78 Ų7834.9 Ų34.930%0.29517%0.168SC..EExtended strand (participates in β ladder)trans-89.1128.2160.8-63.594.2000109.3Q79 F81 L162 Q164Q79-W98 HydrophobicContact CB-CB 4.16Å; Q79-W98 PolarHBondContact N-O 2.57Å; Q79-W98 PolarHBondContact O-N 3.07Å; F81-W98 AromaticContact CD2-NE1 3.85Å; W98-L162 VanDerWaalsContact CE3-O 3.29Å; W98-L162 WeakPolarHBondContact CZ3-O 3.28Å; W98-Q164 HydrophobicContact CD2-CB 4.06Å; W98-Q164 HydrophobicContact CD2-CG 4.44Å; W98-Q164 HydrophobicContact CE3-CB 3.84Å; W98-Q164 HydrophobicContact CH2-CB 4.11Å; W98-Q164 HydrophobicContact CZ2-CB 4.31Å; W98-Q164 HydrophobicContact CZ3-CB 3.88Å
99C95.7Very high94Very high2 Ų239.5 Ų39.51%0.01418%0.184CC..EExtended strand (participates in β ladder)trans-97.9114.5175.7-57.10000108.8Y76 H101 L162 P163 F167Y76-C99 HydrophobicContact CE2-CB 4.14Å; C99-H101 WeakPolarHBondContact CB-CE1 3.26Å; C99-H101 PolarHBondContact O-ND1 2.77Å; C99-L162 WeakPolarHBondContact O-CA 3.21Å; C99-P163 HydrophobicContact CB-CG 4.19Å; C99-P163 PolarHBondContact N-O 2.8Å; C99-P163 VanDerWaalsContact O-CD 3.26Å; C99-P163 WeakPolarHBondContact O-CD 3.01Å; C99-F167 WeakPolarHBondContact SG-CE2 3.36Å; C99-F167 WeakPolarHBondContact SG-CZ 3.32Å
100M96.4Very high94.4Very high20 Ų2036.7 Ų36.710%0.09917%0.167CC..EExtended strand (participates in β ladder)trans-96.7113.7-176.7-50.5-173.5-78.900109.6Y76 G77 Q79 L162 W204Y76-M100 CarbonylContact C-O 3.54Å; Y76-M100 VanDerWaalsContact CA-O 3.28Å; Y76-M100 WeakPolarHBondContact CA-O 3.21Å; G77-M100 PolarHBondContact N-O 3.17Å; G77-M100 PolarHBondContact O-N 2.85Å; Q79-M100 HydrophobicContact CB-CE 4.26Å; M100-L162 HydrophobicContact CB-CD2 3.65Å; M100-L162 HydrophobicContact CG-CD2 3.73Å; M100-W204 HydrophobicContact CB-CD2 4.16Å; M100-W204 HydrophobicContact CB-CE3 3.74Å; M100-W204 HydrophobicContact CB-CH2 4.14Å; M100-W204 HydrophobicContact CB-CZ3 3.72Å; M100-W204 HydrophobicContact CE-CD2 4.31Å; M100-W204 HydrophobicContact CE-CG 4.17Å; M100-W204 HydrophobicContact SD-CD2 4.48Å; M100-W204 HydrophobicContact SD-CZ2 4.41Å
101H97Very high94.7Very high6 Ų634 Ų343%0.02816%0.159CC..EExtended strand (participates in β ladder)trans-116.9126.4178-50.378.1000109.1R75 Y76 C99 W103 L160 W161R75-H101 WeakPolarHBondContact O-CA 3.49Å; Y76-H101 AromaticContact CD2-CD2 3.69Å; Y76-H101 AromaticContact CD2-NE2 3.79Å; Y76-H101 AromaticContact CE2-CD2 3.88Å; Y76-H101 AromaticContact CE2-CE1 3.91Å; Y76-H101 AromaticContact CE2-NE2 3.46Å; Y76-H101 WeakPolarHBondContact CE2-NE2 3.39Å; C99-H101 WeakPolarHBondContact CB-CE1 3.26Å; C99-H101 PolarHBondContact O-ND1 2.77Å; H101-W103 HydrophobicContact CB-CE3 4.08Å; H101-W103 HydrophobicContact CB-CZ3 3.84Å; H101-L160 WeakPolarHBondContact O-CA 3.33Å; H101-W161 HydrophobicContact CB-CB 4.29Å; H101-W161 HydrophobicContact CB-CE3 4.44Å; H101-W161 AromaticContact CE1-CE3 3.93Å; H101-W161 AromaticContact CG-CE3 3.98Å; H101-W161 PolarHBondContact N-O 3.03Å; H101-W161 AromaticContact ND1-CE3 3.74Å; H101-W161 PolarHBondContact ND1-O 3.09Å; H101-W161 PolarHBondContact O-N 2.83Å
102K97.3Very high94.9Very high54 Ų5433.6 Ų33.624%0.23516%0.157CC..EExtended strand (participates in β ladder)trans-130121.8171.5-177.1175.4-177.7-179.90109.5R75 E158 T159 W204R75-K102 HydrophobicContact CB-CB 4.26Å; R75-K102 PolarHBondContact N-O 3.22Å; R75-K102 PolarHBondContact O-N 3.3Å; K102-E158 WeakPolarHBondContact CE-OE1 3.36Å; K102-E158 IonicContact NZ-OE1 3.21Å; K102-E158 PolarHBondContact NZ-OE1 2.86Å; K102-T159 WeakPolarHBondContact CA-O 3.49Å; K102-W204 HydrophobicContact CB-CE3 4.48Å; K102-W204 HydrophobicContact CB-CH2 4.11Å; K102-W204 HydrophobicContact CB-CZ3 3.59Å; K102-W204 HydrophobicContact CD-CH2 4.48Å
103W96.9Very high94.8Very high5 Ų536.8 Ų36.82%0.01918%0.182CC..EExtended strand (participates in β ladder)trans-139.7174.4175.371.998.8000109.9V74 H101 W129 T130 P131 V151 T159 W161V74-W103 HydrophobicContact CG2-CB 4.03Å; H101-W103 HydrophobicContact CB-CE3 4.08Å; H101-W103 HydrophobicContact CB-CZ3 3.84Å; W103-W129 AromaticContact CD1-CZ3 3.9Å; W103-W129 HydrophobicContact CG-CZ3 4.4Å; W103-W129 AromaticContact NE1-CE3 3.81Å; W103-W129 AromaticContact NE1-CZ3 3.83Å; W103-T130 HydrophobicContact CH2-CG2 4.27Å; W103-T130 HydrophobicContact CZ2-CG2 4.41Å; W103-P131 HydrophobicContact CE3-CG 4.27Å; W103-P131 HydrophobicContact CZ3-CG 4.36Å; W103-V151 HydrophobicContact CH2-CG1 4.13Å; W103-T159 VanDerWaalsContact CG-OG1 3.29Å; W103-T159 WeakPolarHBondContact CZ2-OG1 3.29Å; W103-T159 PolarHBondContact N-O 2.96Å; W103-T159 VanDerWaalsContact N-O 3.11Å; W103-T159 PolarHBondContact NE1-OG1 2.88Å; W103-T159 PolarHBondContact O-N 2.67Å; W103-T159 PolarHBondContact O-OG1 2.81Å; W103-W161 HydrophobicContact CH2-CB 3.89Å; W103-W161 HydrophobicContact CZ3-CB 3.71Å
104T96Very high94.6Very high76 Ų7643.1 Ų43.147%0.46621%0.211SC..EExtended strand (participates in β ladder)trans-114.7135.9175.653.10000109.5G157 E158T104-G157 WeakPolarHBondContact CA-O 3.4Å; T104-E158 HydrophobicContact CG2-CG 3.86Å
105D95.3Very high94.5Very high0 Ų042.1 Ų42.10%021%0.208CC..  trans-125.2121.3-179.9-162-51.2000110Y55 P64 L107 L108 G157 T159Y55-D105 PolarHBondContact OH-OD1 3.26Å; Y55-D105 VanDerWaalsContact OH-OD1 3.05Å; Y55-D105 PolarHBondContact OH-OD2 2.87Å; P64-D105 HydrophobicContact CB-CB 4.42Å; P64-D105 WeakPolarHBondContact CB-OD1 3.28Å; P64-D105 WeakPolarHBondContact CB-OD2 3.2Å; P64-D105 HydrophobicContact CG-CB 4.47Å; P64-D105 WeakPolarHBondContact CG-OD2 3.21Å; D105-L107 WeakPolarHBondContact OD1-CB 3.39Å; D105-L107 PolarHBondContact OD1-N 2.76Å; D105-L108 HydrophobicContact CB-CB 4.21Å; D105-L108 HydrophobicContact CB-CD1 3.98Å; D105-L108 HydrophobicContact CB-CG 4.25Å; D105-G157 PolarHBondContact N-O 3.02Å; D105-G157 WeakPolarHBondContact O-CA 3.29Å; D105-T159 HydrophobicContact CB-CG2 4.12Å
106S92Very high94.1Very high36 Ų3645.1 Ų45.125%0.25224%0.238SC..SBendtrans-73.7-27.2-177.760.30000113.1P64 N66P64-S106 PolarHBondContact O-OG 3.47Å; N66-S106 PolarHBondContact OD1-OG 2.74Å
107L92.1Very high94Very high22 Ų2249 Ų4912%0.11526%0.259CS..THydrogen-bonded Turntrans-77.2-25.3-178.9-61.4176.2000111.7R54 Y55 F58 D105 R109R54-L107 VanDerWaalsContact CD-O 3.31Å; R54-L107 WeakPolarHBondContact CD-O 3.46Å; R54-L107 PolarHBondContact NH1-O 3.11Å; Y55-L107 HydrophobicContact CD1-CD1 4.36Å; Y55-L107 HydrophobicContact CD2-CB 4.18Å; Y55-L107 HydrophobicContact CE1-CD1 4.11Å; Y55-L107 HydrophobicContact CE2-CB 3.57Å; Y55-L107 HydrophobicContact CE2-CD1 4.44Å; F58-L107 HydrophobicContact CB-CD1 4.02Å; F58-L107 HydrophobicContact CB-CD2 4.39Å; F58-L107 HydrophobicContact CD1-CD2 4.35Å; F58-L107 HydrophobicContact CD2-CD2 3.78Å; F58-L107 HydrophobicContact CE2-CD2 4.14Å; F58-L107 HydrophobicContact CG-CD1 4.44Å; F58-L107 HydrophobicContact CG-CD2 3.92Å; D105-L107 WeakPolarHBondContact OD1-CB 3.39Å; D105-L107 PolarHBondContact OD1-N 2.76Å; L107-R109 VanDerWaalsContact C-N 3.31Å; L107-R109 PolarHBondContact O-N 2.84Å
108L94.2Very high93.9Very high0 Ų050.7 Ų50.70%027%0.268CS..THydrogen-bonded Turntrans-86.715.1-179.6-69.6173.1000115.2L51 Y55 D105 W110 I123 I128 V153 T159L51-L108 HydrophobicContact CB-CD2 4.31Å; L51-L108 HydrophobicContact CD1-CD2 4.49Å; Y55-L108 HydrophobicContact CD2-CD2 4.07Å; Y55-L108 HydrophobicContact CE2-CD1 4.26Å; Y55-L108 HydrophobicContact CE2-CD2 3.33Å; Y55-L108 HydrophobicContact CE2-CG 3.47Å; Y55-L108 VanDerWaalsContact CE2-CG 3.47Å; Y55-L108 VanDerWaalsContact OH-CD1 3.28Å; Y55-L108 WeakPolarHBondContact OH-CD1 3.21Å; Y55-L108 WeakPolarHBondContact OH-CG 3.36Å; D105-L108 HydrophobicContact CB-CB 4.21Å; D105-L108 HydrophobicContact CB-CD1 3.98Å; D105-L108 HydrophobicContact CB-CG 4.25Å; L108-W110 WeakPolarHBondContact O-CZ3 3.36Å; L108-I123 HydrophobicContact CD2-CD1 3.99Å; L108-I128 HydrophobicContact CD1-CD1 4Å; L108-I128 HydrophobicContact CD1-CG2 4.46Å; L108-I128 HydrophobicContact CD2-CG2 4.24Å; L108-V153 HydrophobicContact CB-CG1 3.69Å; L108-V153 HydrophobicContact CD1-CG1 3.94Å; L108-V153 HydrophobicContact CD1-CG2 3.96Å; L108-V153 HydrophobicContact CG-CG1 4.23Å; L108-T159 HydrophobicContact CD1-CG2 3.54Å
109R94.5Very high93.8Very high132 Ų13253.6 Ų53.650%0.49828%0.283SS..  trans-84.9141.3178.9-66-178.5172.5177.91.5112.3R54 L107 N156R54-R109 PolarHBondContact NH1-O 2.81Å; L107-R109 VanDerWaalsContact C-N 3.31Å; L107-R109 PolarHBondContact O-N 2.84Å; R109-N156 PolarHBondContact NE-O 3.03Å
110W95.2Very high93.8Very high23 Ų2356.4 Ų56.49%0.08730%0.299CS..  trans-146.516217071.195.6000111.3L47 M50 L51 L108 I118 V121 V153 S154 S155L47-W110 HydrophobicContact CD1-CB 3.8Å; L47-W110 HydrophobicContact CD1-CD2 3.94Å; L47-W110 HydrophobicContact CD1-CG 3.55Å; L47-W110 HydrophobicContact CD2-CD2 4.1Å; L47-W110 HydrophobicContact CD2-CG 4.21Å; L47-W110 HydrophobicContact CD2-CZ2 4.21Å; M50-W110 HydrophobicContact CE-CB 4.35Å; L51-W110 HydrophobicContact CD1-CE3 3.81Å; L51-W110 HydrophobicContact CD1-CZ3 3.99Å; L51-W110 HydrophobicContact CD2-CE3 4.2Å; L108-W110 WeakPolarHBondContact O-CZ3 3.36Å; W110-I118 PolarHBondContact NE1-O 2.78Å; W110-V121 HydrophobicContact CH2-CG1 4.35Å; W110-V121 HydrophobicContact CH2-CG2 3.74Å; W110-V121 HydrophobicContact CZ2-CG1 4.22Å; W110-V121 HydrophobicContact CZ2-CG2 4.43Å; W110-V121 HydrophobicContact CZ3-CG2 4.07Å; W110-V153 HydrophobicContact CH2-CG1 4.17Å; W110-V153 HydrophobicContact CZ3-CG1 3.73Å; W110-S154 WeakPolarHBondContact CH2-O 3.49Å; W110-S154 WeakPolarHBondContact CZ3-O 3.44Å; W110-S155 VanDerWaalsContact CH2-N 3.33Å; W110-S155 VanDerWaalsContact CZ2-CA 3.47Å; W110-S155 PolarHBondContact N-O 3.47Å
111N94.9Very high93.8Very high81 Ų8155.4 Ų55.443%0.43330%0.295SS..  trans-87.5120.4174.7-174.44.5000110S113 E114N111-S113 VanDerWaalsContact C-N 3.26Å; N111-S113 PolarHBondContact O-N 3.07Å; N111-S113 PolarHBondContact OD1-N 2.9Å; N111-E114 HydrophobicContact CB-CG 4.22Å; N111-E114 PolarHBondContact ND2-OE1 2.7Å; N111-E114 PolarHBondContact O-N 3.2Å
112E93.8Very high93.8Very high55 Ų5561.7 Ų61.726%0.25732%0.318SS..G310 helixtrans-57.9-39.3-176.9-62.5-174.2-179.100112.1E114 Y115 N117 S155E112-E114 VanDerWaalsContact C-N 3.29Å; E112-E114 PolarHBondContact O-N 2.89Å; E112-Y115 PolarHBondContact O-N 2.68Å; E112-N117 WeakPolarHBondContact O-CA 3.48Å; E112-N117 PolarHBondContact O-N 3.19Å; E112-S155 VanDerWaalsContact CG-CB 3.46Å; E112-S155 VanDerWaalsContact OE1-CB 3.32Å; E112-S155 WeakPolarHBondContact OE1-CB 3.38Å; E112-S155 PolarHBondContact OE1-OG 2.84Å
113S91.8Very high93.7Very high90 Ų9059.2 Ų59.263%0.62931%0.307SS*.G310 helixtrans-66.1-27.6-175.2-55.50000113.9N111 Y115N111-S113 VanDerWaalsContact C-N 3.26Å; N111-S113 PolarHBondContact O-N 3.07Å; N111-S113 PolarHBondContact OD1-N 2.9Å; S113-Y115 VanDerWaalsContact C-N 3.34Å
114E90.3Very high93.6Very high133 Ų13363.3 Ų63.362%0.62133%0.325SS*.G310 helixtrans-75.7-24.4179.7-73168.3-151.300112.7N111 E112N111-E114 HydrophobicContact CB-CG 4.22Å; N111-E114 PolarHBondContact ND2-OE1 2.7Å; N111-E114 PolarHBondContact O-N 3.2Å; E112-E114 VanDerWaalsContact C-N 3.29Å; E112-E114 PolarHBondContact O-N 2.89Å
115Y90.4Very high93.5Very high49 Ų4960.8 Ų60.819%0.19231%0.311CS..G310 helixtrans-118.433.5-173.2-64-88.2000112.2V43 L47 M50 E112 S113 I118V43-Y115 HydrophobicContact CG1-CD1 4.24Å; V43-Y115 WeakPolarHBondContact CG1-O 3.44Å; L47-Y115 HydrophobicContact CB-CD1 3.62Å; L47-Y115 HydrophobicContact CB-CE1 4.05Å; L47-Y115 HydrophobicContact CB-CG 4.1Å; L47-Y115 HydrophobicContact CD1-CD1 4.01Å; L47-Y115 HydrophobicContact CD1-CD2 3.91Å; L47-Y115 HydrophobicContact CD1-CE1 4.12Å; L47-Y115 HydrophobicContact CD1-CE2 4.07Å; L47-Y115 HydrophobicContact CD1-CG 3.89Å; L47-Y115 HydrophobicContact CD2-CG 4.37Å; L47-Y115 HydrophobicContact CG-CD1 4.3Å; L47-Y115 HydrophobicContact CG-CG 4.34Å; M50-Y115 HydrophobicContact CE-CE2 4.38Å; E112-Y115 PolarHBondContact O-N 2.68Å; S113-Y115 VanDerWaalsContact C-N 3.34Å; Y115-I118 WeakPolarHBondContact O-CD1 3.28Å; Y115-I118 WeakPolarHBondContact O-CG1 2.97Å
116G87Confident93.3Very high62 Ų6265.5 Ų65.564%0.63934%0.343SS*.THydrogen-bonded Turntrans71.634.7174.700000114.3I118G116-I118 VanDerWaalsContact C-N 3.27Å; G116-I118 PolarHBondContact O-N 2.82Å
117N91.6Very high93.4Very high106 Ų10667.1 Ų67.157%0.56735%0.347SS*.SBendtrans5932.5-179.6-59.7-34.8000114.2E112 K119E112-N117 WeakPolarHBondContact O-CA 3.48Å; E112-N117 PolarHBondContact O-N 3.19Å; N117-K119 PolarHBondContact O-N 2.89Å
118I93.3Very high93.5Very high34 Ų3466.2 Ų66.217%0.17434%0.342CS..  trans-72.2112.6173.2-64.4169.1000109V43 E44 L47 W110 Y115 G116 T120 V121V43-I118 HydrophobicContact CG1-CD1 4.38Å; E44-I118 HydrophobicContact CB-CD1 3.76Å; E44-I118 HydrophobicContact CG-CD1 4.3Å; L47-I118 HydrophobicContact CD2-CB 4.3Å; L47-I118 HydrophobicContact CD2-CG2 4.08Å; W110-I118 PolarHBondContact NE1-O 2.78Å; Y115-I118 WeakPolarHBondContact O-CD1 3.28Å; Y115-I118 WeakPolarHBondContact O-CG1 2.97Å; G116-I118 VanDerWaalsContact C-N 3.27Å; G116-I118 PolarHBondContact O-N 2.82Å; I118-T120 WeakPolarHBondContact CG2-O 3.46Å; I118-V121 HydrophobicContact CG2-CG1 3.85Å
119K94.5Very high93.5Very high140 Ų14066.7 Ų66.761%0.60934%0.344SS*.  trans-82.2-35.1-179.8-62.2-170.6173.8-174.50114N117 S154 S155N117-K119 PolarHBondContact O-N 2.89Å; K119-S154 WeakPolarHBondContact O-CA 3.15Å; K119-S155 PolarHBondContact O-N 2.98Å
120T96Very high93.5Very high60 Ų6062.4 Ų62.437%0.36833%0.332SS..EExtended strand (participates in β ladder)trans-138.2146.8-175.960.80000111.6I118 V152 V153I118-T120 WeakPolarHBondContact CG2-O 3.46Å; T120-V152 HydrophobicContact CG2-CG1 4.47Å; T120-V153 CarbonylContact C-O 3.38Å; T120-V153 WeakPolarHBondContact CA-O 3.24Å; T120-V153 WeakPolarHBondContact CB-O 3.25Å
121V96.2Very high93.5Very high0 Ų061.6 Ų61.60%033%0.33CS..EExtended strand (participates in β ladder)trans-130.7156.9174.2-63.30000110.1E44 L47 I48 L51 W110 I118 I123 V153E44-V121 HydrophobicContact CG-CG1 4.43Å; L47-V121 HydrophobicContact CD2-CG1 3.6Å; L47-V121 HydrophobicContact CG-CG1 4.29Å; I48-V121 HydrophobicContact CD1-CB 4.48Å; I48-V121 HydrophobicContact CG1-CB 4.16Å; I48-V121 HydrophobicContact CG1-CG1 4.29Å; L51-V121 HydrophobicContact CD1-CG2 4.08Å; W110-V121 HydrophobicContact CH2-CG1 4.35Å; W110-V121 HydrophobicContact CH2-CG2 3.74Å; W110-V121 HydrophobicContact CZ2-CG1 4.22Å; W110-V121 HydrophobicContact CZ2-CG2 4.43Å; W110-V121 HydrophobicContact CZ3-CG2 4.07Å; I118-V121 HydrophobicContact CG2-CG1 3.85Å; V121-I123 HydrophobicContact CG2-CD1 4.18Å; V121-I123 HydrophobicContact CG2-CG1 4.28Å; V121-V153 HydrophobicContact CG2-CB 3.91Å; V121-V153 HydrophobicContact CG2-CG1 4.48Å; V121-V153 PolarHBondContact N-O 2.85Å; V121-V153 PolarHBondContact O-N 3.29Å
122R95.9Very high93.4Very high137 Ų13759.1 Ų59.152%0.51732%0.317SS..EExtended strand (participates in β ladder)trans-115.3119180-66.4178.7179.179.5-0.4110.4R150 V151 V152R122-R150 HydrophobicContact CB-CB 4.3Å; R122-V151 WeakPolarHBondContact CA-O 3.49Å; R122-V152 HydrophobicContact CG-CG2 4.4Å
123I95.4Very high93.4Very high2 Ų256.9 Ų56.91%0.0131%0.307CS..EExtended strand (participates in β ladder)trans-120.8149.7-176-55.5179.4000109.4L51 L52 L108 V121 Q127 I128 R150 V151 V153L51-I123 HydrophobicContact CD1-CD1 4.37Å; L52-I123 HydrophobicContact CD2-CG2 3.92Å; L108-I123 HydrophobicContact CD2-CD1 3.99Å; V121-I123 HydrophobicContact CG2-CD1 4.18Å; V121-I123 HydrophobicContact CG2-CG1 4.28Å; I123-Q127 HydrophobicContact CG2-CB 4.18Å; I123-I128 HydrophobicContact CG2-CG2 4.02Å; I123-R150 CarbonylContact O-C 3.59Å; I123-R150 WeakPolarHBondContact O-CA 3.43Å; I123-V151 PolarHBondContact N-O 2.82Å; I123-V151 PolarHBondContact O-N 3.24Å; I123-V153 HydrophobicContact CD1-CG2 4.09Å; I123-V153 HydrophobicContact CG1-CG2 4.36Å
124F94.7Very high93.4Very high91 Ų9155.9 Ų55.940%0.39929%0.291SS..  trans-75.6141.6174.6-74.4-79.7000111.2S126 Q127 R150F124-S126 PolarHBondContact O-N 3Å; F124-S126 VanDerWaalsContact O-N 3.15Å; F124-Q127 HydrophobicContact CB-CG 4.2Å; F124-Q127 PolarHBondContact O-N 2.82Å; F124-Q127 VanDerWaalsContact O-N 3.1Å; F124-R150 HydrophobicContact CD1-CG 4.11Å; F124-R150 HydrophobicContact CE1-CG 4.06Å
125P93.5Very high93.5Very high24 Ų2450.4 Ų50.416%0.15627%0.266CS..G310 helixtrans-65.3-18.6-176.726.6-35.3000113.7Q127 I128 T130 A149 V151 W161P125-Q127 VanDerWaalsContact C-N 3.28Å; P125-Q127 PolarHBondContact O-N 3.47Å; P125-I128 VanDerWaalsContact O-O 3.06Å; P125-T130 HydrophobicContact CB-CG2 3.89Å; P125-A149 WeakPolarHBondContact CD-O 3.33Å; P125-V151 HydrophobicContact CB-CG2 4.05Å; P125-W161 HydrophobicContact CB-CZ2 4.13Å; P125-W161 HydrophobicContact CG-CZ2 4.43Å
126S92.5Very high93.6Very high98 Ų9850.5 Ų50.569%0.68527%0.266SS*.G310 helixtrans-74.5-15.4175.854.70000114.1F124F124-S126 PolarHBondContact O-N 3Å; F124-S126 VanDerWaalsContact O-N 3.15Å
127Q93Very high93.8Very high70 Ų7048.4 Ų48.433%0.32724%0.24SC..G310 helixtrans-98.2-9.1-174-54.4-178.2-75.900113.2L52 I123 F124 P125L52-Q127 HydrophobicContact CD2-CB 3.67Å; I123-Q127 HydrophobicContact CG2-CB 4.18Å; F124-Q127 HydrophobicContact CB-CG 4.2Å; F124-Q127 PolarHBondContact O-N 2.82Å; F124-Q127 VanDerWaalsContact O-N 3.1Å; P125-Q127 VanDerWaalsContact C-N 3.28Å; P125-Q127 PolarHBondContact O-N 3.47Å
128I94.7Very high93.7Very high3 Ų346.7 Ų46.72%0.01523%0.228CC..SBendtrans-134.9164.6-17860.9170.3000109.6L52 Y55 L108 I123 P125 T130 V151L52-I128 HydrophobicContact CD2-CG2 4.46Å; Y55-I128 HydrophobicContact CD1-CB 4.48Å; Y55-I128 HydrophobicContact CD1-CG2 4.42Å; Y55-I128 HydrophobicContact CD2-CG2 4.29Å; Y55-I128 HydrophobicContact CE1-CB 4.05Å; Y55-I128 HydrophobicContact CE1-CG2 4.24Å; Y55-I128 HydrophobicContact CE2-CG2 4.13Å; Y55-I128 HydrophobicContact CG-CG2 4.37Å; L108-I128 HydrophobicContact CD1-CD1 4Å; L108-I128 HydrophobicContact CD1-CG2 4.46Å; L108-I128 HydrophobicContact CD2-CG2 4.24Å; I123-I128 HydrophobicContact CG2-CG2 4.02Å; P125-I128 VanDerWaalsContact O-O 3.06Å; I128-T130 PolarHBondContact O-N 2.98Å; I128-V151 HydrophobicContact CD1-CB 4.04Å; I128-V151 HydrophobicContact CD1-CG1 4.01Å; I128-V151 HydrophobicContact CD1-CG2 4.04Å
129W94.8Very high93.3Very high11 Ų1146.8 Ų46.84%0.04223%0.234CC..  trans-65.1136.6171.9-179.588.4000110.4G62 R63 P64 V72 W103 P131 Y194 M199G62-W129 VanDerWaalsContact C-CD1 3.47Å; G62-W129 PolarHBondContact O-NE1 2.97Å; R63-W129 HydrophobicContact CG-CZ2 4.01Å; P64-W129 VanDerWaalsContact CD-CD2 3.41Å; P64-W129 HydrophobicContact CG-CD2 4.17Å; P64-W129 HydrophobicContact CG-CE3 3.65Å; P64-W129 HydrophobicContact CG-CZ3 4.04Å; V72-W129 HydrophobicContact CG1-CH2 4.02Å; V72-W129 HydrophobicContact CG1-CZ3 4.19Å; W103-W129 AromaticContact CD1-CZ3 3.9Å; W103-W129 HydrophobicContact CG-CZ3 4.4Å; W103-W129 AromaticContact NE1-CE3 3.81Å; W103-W129 AromaticContact NE1-CZ3 3.83Å; W129-P131 HydrophobicContact CH2-CB 4Å; W129-P131 HydrophobicContact CZ3-CB 4.34Å; W129-Y194 AromaticContact CZ2-CE2 3.98Å; W129-Y194 HydrophobicContact CZ2-CE2 3.98Å; W129-Y194 PolarHBondContact NE1-OH 3.34Å; W129-M199 HydrophobicContact CH2-SD 4.18Å; W129-M199 HydrophobicContact CZ2-SD 4.43Å
130T94.6Very high92.5Very high41 Ų4142.1 Ų42.125%0.25222%0.215SC..  trans-129.1146.3172.250.20000109.6W103 P125 I128 W161W103-T130 HydrophobicContact CH2-CG2 4.27Å; W103-T130 HydrophobicContact CZ2-CG2 4.41Å; P125-T130 HydrophobicContact CB-CG2 3.89Å; I128-T130 PolarHBondContact O-N 2.98Å; T130-W161 HydrophobicContact CG2-CE3 4.48Å
131P95Very high91.1Very high6 Ų648 Ų484%0.03924%0.239CC..  trans-65.9142.2178.727-34.2000111.5V74 W103 W129 I133 M199V74-P131 HydrophobicContact CG1-CB 4.32Å; V74-P131 HydrophobicContact CG1-CG 4.1Å; V74-P131 HydrophobicContact CG2-CB 4.13Å; W103-P131 HydrophobicContact CE3-CG 4.27Å; W103-P131 HydrophobicContact CZ3-CG 4.36Å; W129-P131 HydrophobicContact CH2-CB 4Å; W129-P131 HydrophobicContact CZ3-CB 4.34Å; P131-I133 HydrophobicContact CB-CD1 4.42Å; P131-I133 HydrophobicContact CB-CG1 4.27Å; P131-I133 PolarHBondContact O-N 3.1Å; P131-I133 VanDerWaalsContact O-N 3.15Å; P131-M199 HydrophobicContact CB-CE 3.69Å; P131-M199 HydrophobicContact CB-SD 4.2Å
132D91.7Very high89.7Confident30 Ų3058.6 Ų58.616%0.1628%0.279CS..  trans-8941-177.270.2-25.2000112.8K134 S191 L192 T193 Y194D132-K134 PolarHBondContact O-N 3.13Å; D132-S191 VanDerWaalsContact CG-OG 3.29Å; D132-S191 WeakPolarHBondContact OD1-CB 3.21Å; D132-S191 PolarHBondContact OD1-OG 3.36Å; D132-S191 PolarHBondContact OD2-OG 2.74Å; D132-L192 PolarHBondContact O-N 3.29Å; D132-L192 PolarHBondContact OD2-N 3.19Å; D132-T193 WeakPolarHBondContact OD2-CB 3.26Å; D132-T193 PolarHBondContact OD2-N 2.96Å; D132-T193 PolarHBondContact OD2-OG1 3.03Å; D132-Y194 WeakPolarHBondContact OD1-CD2 3.35Å
133I94.1Very high88Confident7 Ų754.3 Ų54.34%0.03627%0.266CS..EExtended strand (participates in β ladder)trans-71.4124178.8-61.2176.5000109.3V74 Y76 P131 F189 G190 M199 I201V74-I133 HydrophobicContact CB-CD1 4.49Å; V74-I133 HydrophobicContact CG1-CD1 3.88Å; Y76-I133 HydrophobicContact CD2-CD1 3.88Å; Y76-I133 HydrophobicContact CD2-CG2 4.17Å; Y76-I133 HydrophobicContact CE2-CG2 3.97Å; Y76-I133 HydrophobicContact CG-CD1 4.34Å; P131-I133 HydrophobicContact CB-CD1 4.42Å; P131-I133 HydrophobicContact CB-CG1 4.27Å; P131-I133 PolarHBondContact O-N 3.1Å; P131-I133 VanDerWaalsContact O-N 3.15Å; I133-F189 HydrophobicContact CG2-CB 3.93Å; I133-F189 HydrophobicContact CG2-CD1 4.3Å; I133-G190 WeakPolarHBondContact CA-O 3.29Å; I133-M199 HydrophobicContact CD1-CE 3.89Å; I133-M199 HydrophobicContact CG1-CE 3.72Å; I133-I201 HydrophobicContact CD1-CD1 4.06Å; I133-I201 HydrophobicContact CD1-CG1 4.2Å; I133-I201 HydrophobicContact CD1-CG2 4.16Å; I133-I201 HydrophobicContact CG1-CD1 4Å
134K92.3Very high86.3Confident70 Ų7064.6 Ų64.630%0.30431%0.305SS..EExtended strand (participates in β ladder)trans-133.5156.8-179-62.5-62.5172.2-159.40111.3D132 Y146 F189 G190D132-K134 PolarHBondContact O-N 3.13Å; K134-Y146 PolarHBondContact NZ-OH 2.89Å; K134-F189 WeakPolarHBondContact O-CA 3.39Å; K134-G190 PolarHBondContact N-O 3.19Å; K134-G190 PolarHBondContact O-N 3.12Å
135L93.3Very high85Confident17 Ų1764.8 Ų64.89%0.08931%0.307CS..EExtended strand (participates in β ladder)trans-74.9122.1171-177.667.7000109.3N137 F138 F167 L187 E188 F189L135-N137 WeakPolarHBondContact CD1-OD1 3.44Å; L135-F138 HydrophobicContact CD2-CB 4.46Å; L135-F138 HydrophobicContact CD2-CD2 4.08Å; L135-F138 HydrophobicContact CG-CB 4.49Å; L135-F167 HydrophobicContact CB-CD1 4.21Å; L135-F167 HydrophobicContact CB-CE1 4.33Å; L135-F167 HydrophobicContact CD2-CB 4.03Å; L135-F167 HydrophobicContact CD2-CD1 3.79Å; L135-F167 HydrophobicContact CD2-CG 4.18Å; L135-L187 HydrophobicContact CD1-CB 4.05Å; L135-L187 HydrophobicContact CD1-CD2 3.87Å; L135-L187 HydrophobicContact CD2-CD2 4.29Å; L135-E188 CarbonylContact C-O 3.54Å; L135-E188 VanDerWaalsContact CA-O 3.29Å; L135-E188 WeakPolarHBondContact CA-O 2.98Å; L135-F189 HydrophobicContact CB-CD1 4.39Å; L135-F189 HydrophobicContact CB-CE1 3.99Å; L135-F189 HydrophobicContact CD1-CE1 4.13Å; L135-F189 HydrophobicContact CD1-CE2 4.18Å; L135-F189 HydrophobicContact CD1-CZ 3.93Å
136Y91.7Very high84.2Confident51 Ų5167.3 Ų67.320%0.231%0.314CS..SBendtrans-82.5-42.3-178.6-76.60.1000113.2F138 E188 S191 V271Y136-F138 PolarHBondContact O-N 2.94Å; Y136-E188 PolarHBondContact N-O 3.12Å; Y136-S191 PolarHBondContact OH-O 3.27Å; Y136-V271 HydrophobicContact CD2-CG1 4.17Å; Y136-V271 HydrophobicContact CD2-CG2 4.05Å; Y136-V271 HydrophobicContact CE2-CG1 4.35Å; Y136-V271 HydrophobicContact CE2-CG2 3.5Å; Y136-V271 VanDerWaalsContact CE2-CG2 3.5Å
137N92.1Very high83.7Confident18 Ų1870.7 Ų70.710%0.09631%0.311CS..SBendtrans-85.345.4-179.969-46.4000111.8L135 S169 T170 M186 E188L135-N137 WeakPolarHBondContact CD1-OD1 3.44Å; N137-S169 CarbonylContact O-C 3.51Å; N137-S169 VanDerWaalsContact O-CA 3.24Å; N137-S169 WeakPolarHBondContact O-CA 3.3Å; N137-T170 PolarHBondContact ND2-O 2.03Å; N137-T170 PolarHBondContact O-N 3.41Å; N137-T170 PolarHBondContact O-OG1 2.82Å; N137-M186 PolarHBondContact ND2-O 2.94Å; N137-E188 HydrophobicContact CB-CG 4.39Å; N137-E188 PolarHBondContact OD1-N 2.86Å
138F89.6Confident83.4Confident71 Ų7174.8 Ų74.831%0.31134%0.336SS..BIsolated β-bridgetrans-78132.5-177.7-174.8-118.6000111.4L135 Y136 D140 L143 K168L135-F138 HydrophobicContact CD2-CB 4.46Å; L135-F138 HydrophobicContact CD2-CD2 4.08Å; L135-F138 HydrophobicContact CG-CB 4.49Å; Y136-F138 PolarHBondContact O-N 2.94Å; F138-D140 WeakPolarHBondContact CE1-O 2.8Å; F138-D140 WeakPolarHBondContact CZ-O 2.82Å; F138-L143 WeakPolarHBondContact CZ-O 3.49Å; F138-K168 WeakPolarHBondContact CA-O 3.5Å; F138-K168 VanDerWaalsContact CD2-O 3.28Å; F138-K168 WeakPolarHBondContact CD2-O 3.21Å; F138-K168 HydrophobicContact CE2-CB 4.36Å
139A84.6Confident83.3Confident36 Ų3675.6 Ų75.630%0.29834%0.343SS..  trans-98.8-17.2-170.400000115.5I92 K168 T170I92-A139 HydrophobicContact CB-CB 4.42Å; I92-A139 HydrophobicContact CD1-CB 3.84Å; I92-A139 HydrophobicContact CG1-CB 3.75Å; I92-A139 HydrophobicContact CG2-CB 3.96Å; A139-K168 PolarHBondContact N-O 3.49Å; A139-T170 HydrophobicContact CB-CG2 3.73Å
140D77.9Confident83.3Confident41 Ų4181.6 Ų81.622%0.21937%0.366CS..  trans-146.4106.8-171.9177.87.5000112.6F138 R142 K168F138-D140 WeakPolarHBondContact CE1-O 2.8Å; F138-D140 WeakPolarHBondContact CZ-O 2.82Å; D140-R142 PolarHBondContact O-N 2.98Å; D140-R142 WeakPolarHBondContact OD1-CB 3.41Å; D140-R142 WeakPolarHBondContact OD1-CG 3.3Å; D140-R142 PolarHBondContact OD1-N 2.79Å; D140-K168 HydrophobicContact CB-CD 3.73Å; D140-K168 IonicContact OD2-NZ 3.27Å; D140-K168 PolarHBondContact OD2-NZ 2.91Å
141E66.1Low83.5Confident185 Ų18579.7 Ų79.786%0.86435%0.354SS*.THydrogen-bonded Turntrans-55.8-18.8-176.2-67.9-175.2172.300115.6L143E141-L143 PolarHBondContact O-N 2.95Å
142R66.1Low83.6Confident222 Ų22281.6 Ų81.684%0.83837%0.365SS*.THydrogen-bonded Turntrans-80.3-16.7-165.4-58.3-177.883.2146.53.6115.1D140D140-R142 PolarHBondContact O-N 2.98Å; D140-R142 WeakPolarHBondContact OD1-CB 3.41Å; D140-R142 WeakPolarHBondContact OD1-CG 3.3Å; D140-R142 PolarHBondContact OD1-N 2.79Å
143L59.9Low83.8Confident47 Ų4780.1 Ų80.125%0.24636%0.357CS..  trans-120.6102.2-171.3-64.5175.5000112.4F138 E141 E145 K168F138-L143 WeakPolarHBondContact CZ-O 3.49Å; E141-L143 PolarHBondContact O-N 2.95Å; L143-E145 HydrophobicContact CD2-CG 4.33Å; L143-E145 WeakPolarHBondContact CD2-OE1 3.28Å; L143-K168 HydrophobicContact CD1-CD 4.04Å
144R61.1Low84Confident217 Ų21781.3 Ų81.382%0.81937%0.366SS*.  trans-98.569.8158.5-70.8-174.3178.8-177.81.2109Y146R144-Y146 VanDerWaalsContact C-N 3.35Å; R144-Y146 PolarHBondContact O-N 3.34Å; R144-Y146 VanDerWaalsContact O-N 3.12Å
145E66.8Low84.2Confident95 Ų9578.8 Ų78.844%0.44436%0.357SS..  trans-86.280176.9-74.8-175-15900110.2L143 A165 L166L143-E145 HydrophobicContact CD2-CG 4.33Å; L143-E145 WeakPolarHBondContact CD2-OE1 3.28Å; E145-A165 VanDerWaalsContact O-CA 3.3Å; E145-A165 WeakPolarHBondContact O-CA 3.48Å; E145-L166 HydrophobicContact CB-CB 3.98Å; E145-L166 PolarHBondContact O-N 2.77Å; E145-L166 VanDerWaalsContact O-N 3.13Å; E145-L166 VanDerWaalsContact OE2-CD2 3.22Å; E145-L166 WeakPolarHBondContact OE2-CD2 3.22Å
146Y75.8Confident84.3Confident78 Ų7881.3 Ų81.331%0.30637%0.371SS..BIsolated β-bridgetrans-93.5132.4158.9-69.5-85.8000108.2K134 R144 P163 A165K134-Y146 PolarHBondContact NZ-OH 2.89Å; R144-Y146 VanDerWaalsContact C-N 3.35Å; R144-Y146 PolarHBondContact O-N 3.34Å; R144-Y146 VanDerWaalsContact O-N 3.12Å; Y146-P163 HydrophobicContact CD1-CB 4.35Å; Y146-A165 HydrophobicContact CD1-CB 3.8Å; Y146-A165 HydrophobicContact CE1-CB 3.9Å
147R83.3Confident84.4Confident168 Ų16878.9 Ų78.963%0.63436%0.361SS*.  trans-78.2140.1163.2-67.9-173.7175.1-175.3-8.2109.2A149 Q164R147-A149 PolarHBondContact O-N 2.87Å; R147-A149 VanDerWaalsContact O-N 3.12Å; R147-Q164 HydrophobicContact CB-CB 4.37Å; R147-Q164 VanDerWaalsContact CD-OE1 3.3Å; R147-Q164 PolarHBondContact N-O 2.88Å
148D85.5Confident84.6Confident157 Ų15781.2 Ų81.284%0.8437%0.372SS*.  trans-63.7114.8175.8-71.1-32.3000110.2
149A92.7Very high85Confident20 Ų2077.9 Ų77.917%0.16536%0.357CS..  trans-119.4131.3173.200000109.3P125 R147 W161 P163P125-A149 WeakPolarHBondContact CD-O 3.33Å; R147-A149 PolarHBondContact O-N 2.87Å; R147-A149 VanDerWaalsContact O-N 3.12Å; A149-W161 PolarHBondContact O-NE1 2.94Å; A149-W161 VanDerWaalsContact O-NE1 3.11Å; A149-P163 HydrophobicContact CB-CB 4.16Å
150R96.3Very high85.6Confident137 Ų13779 Ų7952%0.51736%0.358SS..  trans-72144.1172.2-62.8-174.1-172.8-174.55.1109.7R122 I123 F124R122-R150 HydrophobicContact CB-CB 4.3Å; I123-R150 CarbonylContact O-C 3.59Å; I123-R150 WeakPolarHBondContact O-CA 3.43Å; F124-R150 HydrophobicContact CD1-CG 4.11Å; F124-R150 HydrophobicContact CE1-CG 4.06Å
151V96.8Very high86.5Confident0 Ų078.4 Ų78.40%035%0.353CS..EExtended strand (participates in β ladder)trans-80.5128.5172.7-174.80000108.2W103 R122 I123 P125 I128 V153 T159 W161W103-V151 HydrophobicContact CH2-CG1 4.13Å; R122-V151 WeakPolarHBondContact CA-O 3.49Å; I123-V151 PolarHBondContact N-O 2.82Å; I123-V151 PolarHBondContact O-N 3.24Å; P125-V151 HydrophobicContact CB-CG2 4.05Å; I128-V151 HydrophobicContact CD1-CB 4.04Å; I128-V151 HydrophobicContact CD1-CG1 4.01Å; I128-V151 HydrophobicContact CD1-CG2 4.04Å; V151-V153 HydrophobicContact CG1-CG2 4.13Å; V151-T159 HydrophobicContact CG1-CG2 4.49Å; V151-W161 HydrophobicContact CG1-CB 4.35Å; V151-W161 HydrophobicContact CG2-CB 4.05Å; V151-W161 HydrophobicContact CG2-CG 3.85Å
152V97.3Very high87.9Confident46 Ų4672.7 Ų72.728%0.27933%0.327SS..EExtended strand (participates in β ladder)trans-91115.8173-177.30000107.4T120 R122 T159 L160T120-V152 HydrophobicContact CG2-CG1 4.47Å; R122-V152 HydrophobicContact CG-CG2 4.4Å; V152-T159 WeakPolarHBondContact O-CA 3.25Å; V152-L160 HydrophobicContact CB-CB 4.37Å; V152-L160 PolarHBondContact N-O 3.04Å; V152-L160 PolarHBondContact O-N 2.98Å
153V97.3Very high89.3Confident0 Ų062.1 Ų62.10%029%0.287CS..EExtended strand (participates in β ladder)trans-107.6131.5-178.2-175.50000108L108 W110 T120 V121 I123 V151 T159L108-V153 HydrophobicContact CB-CG1 3.69Å; L108-V153 HydrophobicContact CD1-CG1 3.94Å; L108-V153 HydrophobicContact CD1-CG2 3.96Å; L108-V153 HydrophobicContact CG-CG1 4.23Å; W110-V153 HydrophobicContact CH2-CG1 4.17Å; W110-V153 HydrophobicContact CZ3-CG1 3.73Å; T120-V153 CarbonylContact C-O 3.38Å; T120-V153 WeakPolarHBondContact CA-O 3.24Å; T120-V153 WeakPolarHBondContact CB-O 3.25Å; V121-V153 HydrophobicContact CG2-CB 3.91Å; V121-V153 HydrophobicContact CG2-CG1 4.48Å; V121-V153 PolarHBondContact N-O 2.85Å; V121-V153 PolarHBondContact O-N 3.29Å; I123-V153 HydrophobicContact CD1-CG2 4.09Å; I123-V153 HydrophobicContact CG1-CG2 4.36Å; V151-V153 HydrophobicContact CG1-CG2 4.13Å; V153-T159 HydrophobicContact CB-CG2 4.48Å; V153-T159 HydrophobicContact CG1-CG2 4.12Å; V153-T159 HydrophobicContact CG2-CG2 4.09Å
154S97Very high90.9Very high32 Ų3260.5 Ų60.522%0.22428%0.279CS..EExtended strand (participates in β ladder)trans-95.5154.6173.6-177.10000110.9W110 K119 N156 G157 E158W110-S154 WeakPolarHBondContact CH2-O 3.49Å; W110-S154 WeakPolarHBondContact CZ3-O 3.44Å; K119-S154 WeakPolarHBondContact O-CA 3.15Å; S154-N156 WeakPolarHBondContact CB-OD1 3.38Å; S154-N156 PolarHBondContact O-N 3.04Å; S154-N156 VanDerWaalsContact O-N 3.17Å; S154-N156 PolarHBondContact OG-OD1 3.31Å; S154-N156 VanDerWaalsContact OG-OD1 3.07Å; S154-G157 WeakPolarHBondContact O-CA 3.26Å; S154-G157 PolarHBondContact O-N 2.79Å; S154-E158 WeakPolarHBondContact CB-O 3.39Å; S154-E158 PolarHBondContact N-O 3.49Å
155S96.2Very high92.4Very high16 Ų1650.2 Ų50.211%0.11224%0.24CC..THydrogen-bonded Turntrans-55.5-33-177.360.70000114.1W110 E112 K119 G157W110-S155 VanDerWaalsContact CH2-N 3.33Å; W110-S155 VanDerWaalsContact CZ2-CA 3.47Å; W110-S155 PolarHBondContact N-O 3.47Å; E112-S155 VanDerWaalsContact CG-CB 3.46Å; E112-S155 VanDerWaalsContact OE1-CB 3.32Å; E112-S155 WeakPolarHBondContact OE1-CB 3.38Å; E112-S155 PolarHBondContact OE1-OG 2.84Å; K119-S155 PolarHBondContact O-N 2.98Å; S155-G157 PolarHBondContact O-N 3.49Å
156N95.4Very high93.6Very high71 Ų7147.3 Ų47.338%0.3823%0.227SC..THydrogen-bonded Turntrans-73.6-1.9175.967-5.7000114R109 S154 E158R109-N156 PolarHBondContact NE-O 3.03Å; S154-N156 WeakPolarHBondContact CB-OD1 3.38Å; S154-N156 PolarHBondContact O-N 3.04Å; S154-N156 VanDerWaalsContact O-N 3.17Å; S154-N156 PolarHBondContact OG-OD1 3.31Å; S154-N156 VanDerWaalsContact OG-OD1 3.07Å; N156-E158 PolarHBondContact ND2-OE2 2.77Å; N156-E158 WeakPolarHBondContact OD1-CB 3.47Å; N156-E158 PolarHBondContact OD1-N 3.41Å
157G94.4Very high94.5Very high0 Ų043.9 Ų43.90%021%0.214CC..SBendtrans84.25.8-177.300000114.1T104 D105 S154 S155 T159T104-G157 WeakPolarHBondContact CA-O 3.4Å; D105-G157 PolarHBondContact N-O 3.02Å; D105-G157 WeakPolarHBondContact O-CA 3.29Å; S154-G157 WeakPolarHBondContact O-CA 3.26Å; S154-G157 PolarHBondContact O-N 2.79Å; S155-G157 PolarHBondContact O-N 3.49Å; G157-T159 PolarHBondContact O-N 3.29Å
158E96.4Very high95Very high67 Ų6736.9 Ų36.931%0.31319%0.189SC..EExtended strand (participates in β ladder)trans-68.4131.6167.9-74.9-176.8113.200110.1K102 T104 S154 N156K102-E158 WeakPolarHBondContact CE-OE1 3.36Å; K102-E158 IonicContact NZ-OE1 3.21Å; K102-E158 PolarHBondContact NZ-OE1 2.86Å; T104-E158 HydrophobicContact CG2-CG 3.86Å; S154-E158 WeakPolarHBondContact CB-O 3.39Å; S154-E158 PolarHBondContact N-O 3.49Å; N156-E158 PolarHBondContact ND2-OE2 2.77Å; N156-E158 WeakPolarHBondContact OD1-CB 3.47Å; N156-E158 PolarHBondContact OD1-N 3.41Å
159T97.2Very high95.4Very high1 Ų129.4 Ų29.41%0.00615%0.149CC..EExtended strand (participates in β ladder)trans-120.6128.9-178.352.80000109.8K102 W103 D105 L108 V151 V152 V153 G157K102-T159 WeakPolarHBondContact CA-O 3.49Å; W103-T159 VanDerWaalsContact CG-OG1 3.29Å; W103-T159 WeakPolarHBondContact CZ2-OG1 3.29Å; W103-T159 PolarHBondContact N-O 2.96Å; W103-T159 VanDerWaalsContact N-O 3.11Å; W103-T159 PolarHBondContact NE1-OG1 2.88Å; W103-T159 PolarHBondContact O-N 2.67Å; W103-T159 PolarHBondContact O-OG1 2.81Å; D105-T159 HydrophobicContact CB-CG2 4.12Å; L108-T159 HydrophobicContact CD1-CG2 3.54Å; V151-T159 HydrophobicContact CG1-CG2 4.49Å; V152-T159 WeakPolarHBondContact O-CA 3.25Å; V153-T159 HydrophobicContact CB-CG2 4.48Å; V153-T159 HydrophobicContact CG1-CG2 4.12Å; V153-T159 HydrophobicContact CG2-CG2 4.09Å; G157-T159 PolarHBondContact O-N 3.29Å
160L97.2Very high95.4Very high58 Ų5831.8 Ų31.830%0.30416%0.161SC..EExtended strand (participates in β ladder)trans-115.8122.8178.217763.7000109.5H101 V152 L162 W204H101-L160 WeakPolarHBondContact O-CA 3.33Å; V152-L160 HydrophobicContact CB-CB 4.37Å; V152-L160 PolarHBondContact N-O 3.04Å; V152-L160 PolarHBondContact O-N 2.98Å; L160-L162 HydrophobicContact CD1-CD1 4.45Å; L160-L162 HydrophobicContact CD1-CD2 3.65Å; L160-L162 HydrophobicContact CD1-CG 4.02Å; L160-L162 HydrophobicContact CD2-CD1 4.22Å; L160-L162 HydrophobicContact CD2-CG 4.47Å; L160-L162 HydrophobicContact CG-CD1 4.33Å; L160-L162 HydrophobicContact CG-CD2 4.23Å; L160-L162 HydrophobicContact CG-CG 4.03Å; L160-W204 HydrophobicContact CD1-CH2 3.6Å; L160-W204 HydrophobicContact CD1-CZ3 4.2Å
161W97.2Very high95.2Very high30 Ų3025.5 Ų25.511%0.11414%0.138CC..EExtended strand (participates in β ladder)trans-129.5119.7177.4-175.143.5000110.8H101 W103 P125 T130 A149 V151 P163H101-W161 HydrophobicContact CB-CB 4.29Å; H101-W161 HydrophobicContact CB-CE3 4.44Å; H101-W161 AromaticContact CE1-CE3 3.93Å; H101-W161 AromaticContact CG-CE3 3.98Å; H101-W161 PolarHBondContact N-O 3.03Å; H101-W161 AromaticContact ND1-CE3 3.74Å; H101-W161 PolarHBondContact ND1-O 3.09Å; H101-W161 PolarHBondContact O-N 2.83Å; W103-W161 HydrophobicContact CH2-CB 3.89Å; W103-W161 HydrophobicContact CZ3-CB 3.71Å; P125-W161 HydrophobicContact CB-CZ2 4.13Å; P125-W161 HydrophobicContact CG-CZ2 4.43Å; T130-W161 HydrophobicContact CG2-CE3 4.48Å; A149-W161 PolarHBondContact O-NE1 2.94Å; A149-W161 VanDerWaalsContact O-NE1 3.11Å; V151-W161 HydrophobicContact CG1-CB 4.35Å; V151-W161 HydrophobicContact CG2-CB 4.05Å; V151-W161 HydrophobicContact CG2-CG 3.85Å; W161-P163 HydrophobicContact CD2-CG 3.89Å; W161-P163 HydrophobicContact CE3-CG 4.22Å; W161-P163 HydrophobicContact CG-CG 4.46Å; W161-P163 HydrophobicContact CH2-CG 4.1Å; W161-P163 HydrophobicContact CZ2-CB 4.05Å; W161-P163 HydrophobicContact CZ2-CG 3.75Å; W161-P163 HydrophobicContact CZ3-CG 4.32Å; W161-P163 WeakPolarHBondContact O-CD 3.33Å
162L95.7Very high94.8Very high64 Ų6433.3 Ų33.334%0.33517%0.174SC..  trans-121.963.1-173.2-56-177.7000111.6W98 C99 M100 L160W98-L162 VanDerWaalsContact CE3-O 3.29Å; W98-L162 WeakPolarHBondContact CZ3-O 3.28Å; C99-L162 WeakPolarHBondContact O-CA 3.21Å; M100-L162 HydrophobicContact CB-CD2 3.65Å; M100-L162 HydrophobicContact CG-CD2 3.73Å; L160-L162 HydrophobicContact CD1-CD1 4.45Å; L160-L162 HydrophobicContact CD1-CD2 3.65Å; L160-L162 HydrophobicContact CD1-CG 4.02Å; L160-L162 HydrophobicContact CD2-CD1 4.22Å; L160-L162 HydrophobicContact CD2-CG 4.47Å; L160-L162 HydrophobicContact CG-CD1 4.33Å; L160-L162 HydrophobicContact CG-CD2 4.23Å; L160-L162 HydrophobicContact CG-CG 4.03Å
163P95.5Very high94.5Very high0 Ų031.5 Ų31.50%016%0.163CC..  trans-71.2137.9175.730-36.1000111.5C99 Y146 A149 W161C99-P163 HydrophobicContact CB-CG 4.19Å; C99-P163 PolarHBondContact N-O 2.8Å; C99-P163 VanDerWaalsContact O-CD 3.26Å; C99-P163 WeakPolarHBondContact O-CD 3.01Å; Y146-P163 HydrophobicContact CD1-CB 4.35Å; A149-P163 HydrophobicContact CB-CB 4.16Å; W161-P163 HydrophobicContact CD2-CG 3.89Å; W161-P163 HydrophobicContact CE3-CG 4.22Å; W161-P163 HydrophobicContact CG-CG 4.46Å; W161-P163 HydrophobicContact CH2-CG 4.1Å; W161-P163 HydrophobicContact CZ2-CB 4.05Å; W161-P163 HydrophobicContact CZ2-CG 3.75Å; W161-P163 HydrophobicContact CZ3-CG 4.32Å; W161-P163 WeakPolarHBondContact O-CD 3.33Å
164Q93.9Very high94Very high13 Ų1335.3 Ų35.36%0.06118%0.181CC..EExtended strand (participates in β ladder)trans-83.8133.2166.8-175.4172.836.800109.1N96 C97 W98 R147N96-Q164 PolarHBondContact ND2-NE2 2.88Å; N96-Q164 WeakPolarHBondContact OD1-CG 3.39Å; N96-Q164 PolarHBondContact OD1-NE2 2.83Å; C97-Q164 WeakPolarHBondContact O-CA 3.36Å; W98-Q164 HydrophobicContact CD2-CB 4.06Å; W98-Q164 HydrophobicContact CD2-CG 4.44Å; W98-Q164 HydrophobicContact CE3-CB 3.84Å; W98-Q164 HydrophobicContact CH2-CB 4.11Å; W98-Q164 HydrophobicContact CZ2-CB 4.31Å; W98-Q164 HydrophobicContact CZ3-CB 3.88Å; R147-Q164 HydrophobicContact CB-CB 4.37Å; R147-Q164 VanDerWaalsContact CD-OE1 3.3Å; R147-Q164 PolarHBondContact N-O 2.88Å
165A92.5Very high93.5Very high2 Ų233.9 Ų33.92%0.01717%0.171CC..EExtended strand (participates in β ladder)trans-137.1143.2-178.100000112.4C97 E145 Y146 F167C97-A165 PolarHBondContact N-O 2.9Å; C97-A165 PolarHBondContact O-N 3.06Å; E145-A165 VanDerWaalsContact O-CA 3.3Å; E145-A165 WeakPolarHBondContact O-CA 3.48Å; Y146-A165 HydrophobicContact CD1-CB 3.8Å; Y146-A165 HydrophobicContact CE1-CB 3.9Å; A165-F167 HydrophobicContact CB-CE1 4.12Å; A165-F167 HydrophobicContact CB-CE2 3.92Å; A165-F167 HydrophobicContact CB-CZ 3.68Å
166L92.7Very high93.1Very high33 Ų3334 Ų3417%0.17317%0.171CC..EExtended strand (participates in β ladder)trans-90.6115.2167.6173.258.3000109.4L84 T95 E145L84-L166 HydrophobicContact CD1-CD1 3.28Å; L84-L166 HydrophobicContact CD1-CD2 4.47Å; L84-L166 HydrophobicContact CD1-CG 4.49Å; T95-L166 WeakPolarHBondContact O-CD1 3.42Å; E145-L166 HydrophobicContact CB-CB 3.98Å; E145-L166 PolarHBondContact O-N 2.77Å; E145-L166 VanDerWaalsContact O-N 3.13Å; E145-L166 VanDerWaalsContact OE2-CD2 3.22Å; E145-L166 WeakPolarHBondContact OE2-CD2 3.22Å
167F93.3Very high92.7Very high7 Ų734.4 Ų34.43%0.03117%0.168CC..EExtended strand (participates in β ladder)trans-100.4139.6177-67.3-58.8000111.8L78 R94 T95 C97 C99 L135 A165 F189L78-F167 HydrophobicContact CD1-CE2 4.11Å; R94-F167 VanDerWaalsContact CA-O 3.32Å; R94-F167 WeakPolarHBondContact CA-O 3.41Å; T95-F167 PolarHBondContact N-O 2.81Å; T95-F167 PolarHBondContact O-N 2.88Å; C97-F167 HydrophobicContact CB-CD2 3.92Å; C97-F167 HydrophobicContact CB-CE2 3.93Å; C99-F167 WeakPolarHBondContact SG-CE2 3.36Å; C99-F167 WeakPolarHBondContact SG-CZ 3.32Å; L135-F167 HydrophobicContact CB-CD1 4.21Å; L135-F167 HydrophobicContact CB-CE1 4.33Å; L135-F167 HydrophobicContact CD2-CB 4.03Å; L135-F167 HydrophobicContact CD2-CD1 3.79Å; L135-F167 HydrophobicContact CD2-CG 4.18Å; A165-F167 HydrophobicContact CB-CE1 4.12Å; A165-F167 HydrophobicContact CB-CE2 3.92Å; A165-F167 HydrophobicContact CB-CZ 3.68Å; F167-F189 HydrophobicContact CD1-CE1 4.45Å; F167-F189 HydrophobicContact CD2-CZ 4.14Å; F167-F189 AromaticContact CE1-CE1 3.8Å; F167-F189 HydrophobicContact CE1-CE1 3.8Å; F167-F189 HydrophobicContact CE1-CZ 4.21Å; F167-F189 HydrophobicContact CE2-CE1 4.01Å; F167-F189 AromaticContact CE2-CZ 3.76Å; F167-F189 HydrophobicContact CE2-CZ 3.76Å; F167-F189 AromaticContact CZ-CE1 3.54Å; F167-F189 HydrophobicContact CZ-CE1 3.54Å; F167-F189 AromaticContact CZ-CZ 3.8Å; F167-F189 HydrophobicContact CZ-CZ 3.8Å
168K93.6Very high92.3Very high21 Ų2134.9 Ų34.99%0.09117%0.17CC..EExtended strand (participates in β ladder)trans-119.6100.9167.9-70.1-173.3170.5178.30108.4I92 L93 R94 F138 A139 D140 L143I92-K168 HydrophobicContact CG2-CB 4.11Å; L93-K168 CarbonylContact O-C 3.54Å; L93-K168 WeakPolarHBondContact O-CA 3.43Å; R94-K168 HydrophobicContact CG-CG 4.21Å; F138-K168 WeakPolarHBondContact CA-O 3.5Å; F138-K168 VanDerWaalsContact CD2-O 3.28Å; F138-K168 WeakPolarHBondContact CD2-O 3.21Å; F138-K168 HydrophobicContact CE2-CB 4.36Å; A139-K168 PolarHBondContact N-O 3.49Å; D140-K168 HydrophobicContact CB-CD 3.73Å; D140-K168 IonicContact OD2-NZ 3.27Å; D140-K168 PolarHBondContact OD2-NZ 2.91Å; L143-K168 HydrophobicContact CD1-CD 4.04Å
169S93.9Very high91.9Very high0 Ų032 Ų320%016%0.157CC..EExtended strand (participates in β ladder)trans-107.8152.9-179.464.90000112.3I92 L93 N137 L187I92-S169 CarbonylContact C-O 3.49Å; I92-S169 WeakPolarHBondContact CA-O 3.39Å; L93-S169 PolarHBondContact N-O 2.89Å; L93-S169 PolarHBondContact O-N 3.15Å; N137-S169 CarbonylContact O-C 3.51Å; N137-S169 VanDerWaalsContact O-CA 3.24Å; N137-S169 WeakPolarHBondContact O-CA 3.3Å; S169-L187 VanDerWaalsContact CB-CD2 3.42Å; S169-L187 VanDerWaalsContact OG-CD2 3.25Å; S169-L187 WeakPolarHBondContact OG-CD2 3.37Å
170T93Very high91.5Very high70 Ų7036.9 Ų36.943%0.42918%0.179SC..EExtended strand (participates in β ladder)trans-74.3131.4170.958.80000109.7Q91 N137 A139Q91-T170 WeakPolarHBondContact O-CA 3.44Å; N137-T170 PolarHBondContact ND2-O 2.03Å; N137-T170 PolarHBondContact O-N 3.41Å; N137-T170 PolarHBondContact O-OG1 2.82Å; A139-T170 HydrophobicContact CB-CG2 3.73Å
171C92.9Very high91Very high4 Ų434.3 Ų34.33%0.02717%0.165CC..  trans-140.5118.7175.7179.40000110.3L86 Q91 L93 V173 C185L86-C171 HydrophobicContact CD1-CB 4.28Å; Q91-C171 CarbonylContact C-O 3.53Å; Q91-C171 WeakPolarHBondContact CA-O 3.33Å; Q91-C171 VanDerWaalsContact CB-O 3.3Å; Q91-C171 WeakPolarHBondContact CB-O 3.4Å; Q91-C171 PolarHBondContact O-N 2.87Å; L93-C171 HydrophobicContact CB-CB 4.11Å; C171-V173 PolarHBondContact O-N 3.01Å; C171-C185 HydrophobicContact CB-CB 3.73Å; C171-C185 WeakPolarHBondContact CB-SG 3.34Å; C171-C185 WeakPolarHBondContact SG-CA 3.03Å; C171-C185 WeakPolarHBondContact SG-CB 3.35Å; C171-C185 CovalentContact SG-SG 2.03Å; C171-C185 PolarHBondContact SG-SG 3.25Å
172E89.2Confident90.7Very high164 Ų16433.8 Ų33.877%0.76617%0.165SC*.  trans-72.6121.1175.6-64.4-175.4-173.700110
173V89.2Confident90.5Very high8 Ų830.9 Ų30.95%0.04815%0.15CC..  trans-97.7128.2-177.3-178.20000110L86 E88 C171 I175 Q183L86-V173 HydrophobicContact CD1-CG2 4.28Å; L86-V173 HydrophobicContact CD2-CG2 4.21Å; L86-V173 HydrophobicContact CG-CG2 4.35Å; E88-V173 HydrophobicContact CB-CG1 4.26Å; E88-V173 HydrophobicContact CB-CG2 4.36Å; E88-V173 HydrophobicContact CG-CG1 4.08Å; E88-V173 HydrophobicContact CG-CG2 4.36Å; C171-V173 PolarHBondContact O-N 3.01Å; V173-I175 HydrophobicContact CG1-CG2 3.86Å; V173-Q183 HydrophobicContact CG1-CG 4.3Å
174E87.2Confident90.3Very high81 Ų8132.1 Ų32.138%0.37916%0.156SC..  trans-107.3114.5174.6-175.7171.8-171.900111.5T176 Q183E174-T176 WeakPolarHBondContact CG-OG1 3.37Å; E174-T176 PolarHBondContact OE1-OG1 2.9Å; E174-Q183 PolarHBondContact O-NE2 3.12Å
175I88Confident90.4Very high1 Ų131.5 Ų31.51%0.00515%0.154CC..  trans-106.414.1-176.570.7170.4000114.4V173 Y177 F178 T335 P336 V339 P343V173-I175 HydrophobicContact CG1-CG2 3.86Å; I175-Y177 PolarHBondContact O-N 2.85Å; I175-Y177 VanDerWaalsContact O-N 3.13Å; I175-F178 HydrophobicContact CB-CB 4.38Å; I175-F178 WeakPolarHBondContact O-CB 3.38Å; I175-F178 PolarHBondContact O-N 3.31Å; I175-F178 VanDerWaalsContact O-N 3.07Å; I175-T335 HydrophobicContact CD1-CG2 4.12Å; I175-P336 HydrophobicContact CD1-CG 4.18Å; I175-P336 HydrophobicContact CG2-CG 4.06Å; I175-V339 HydrophobicContact CB-CG1 4.49Å; I175-V339 HydrophobicContact CD1-CB 4.16Å; I175-V339 HydrophobicContact CD1-CG1 3.8Å; I175-V339 HydrophobicContact CD1-CG2 3.67Å; I175-V339 HydrophobicContact CG1-CB 4.04Å; I175-V339 HydrophobicContact CG1-CG1 3.75Å; I175-V339 HydrophobicContact CG1-CG2 3.95Å; I175-V339 HydrophobicContact CG2-CG1 4.07Å; I175-P343 HydrophobicContact CD1-CB 4.26Å; I175-P343 HydrophobicContact CD1-CG 4.08Å; I175-P343 HydrophobicContact CG1-CB 4.35Å
176T86.8Confident90.4Very high19 Ų1933.3 Ų33.312%0.11716%0.162CC..THydrogen-bonded Turntrans-49.8-43.9-175.5-51.40000112.1E174 L344E174-T176 WeakPolarHBondContact CG-OG1 3.37Å; E174-T176 PolarHBondContact OE1-OG1 2.9Å; T176-L344 HydrophobicContact CG2-CD1 4.2Å; T176-L344 HydrophobicContact CG2-CG 4.21Å; T176-L344 WeakPolarHBondContact O-CG 3.17Å; T176-L344 PolarHBondContact O-N 2.92Å; T176-L344 VanDerWaalsContact O-N 3.12Å
177Y86.4Confident90.6Very high80 Ų8031.7 Ų31.731%0.31415%0.154SC..THydrogen-bonded Turntrans-103.623.7-177.2-60.6-74.2000114.4I175 F180 L344 P595 I598I175-Y177 PolarHBondContact O-N 2.85Å; I175-Y177 VanDerWaalsContact O-N 3.13Å; Y177-F180 CarbonylContact O-C 3.56Å; Y177-F180 WeakPolarHBondContact O-CA 3.36Å; Y177-F180 PolarHBondContact O-N 2.89Å; Y177-L344 HydrophobicContact CD1-CD1 3.84Å; Y177-L344 HydrophobicContact CE1-CD1 3.75Å; Y177-P595 HydrophobicContact CD1-CB 4.5Å; Y177-I598 HydrophobicContact CE1-CD1 4.36Å
178F87.5Confident90.6Very high10 Ų1032.4 Ų32.44%0.04416%0.157CC..THydrogen-bonded Turntrans-52.3134178.3-180-91.6000111.9I175 Y285 L289 L331 T335 P343 I345I175-F178 HydrophobicContact CB-CB 4.38Å; I175-F178 WeakPolarHBondContact O-CB 3.38Å; I175-F178 PolarHBondContact O-N 3.31Å; I175-F178 VanDerWaalsContact O-N 3.07Å; F178-Y285 HydrophobicContact CE1-CD1 4.15Å; F178-Y285 HydrophobicContact CE2-CD1 4.29Å; F178-Y285 HydrophobicContact CE2-CE1 4.13Å; F178-Y285 AromaticContact CZ-CD1 3.46Å; F178-Y285 HydrophobicContact CZ-CD1 3.46Å; F178-Y285 VanDerWaalsContact CZ-CD1 3.46Å; F178-Y285 AromaticContact CZ-CE1 3.58Å; F178-Y285 HydrophobicContact CZ-CE1 3.58Å; F178-Y285 HydrophobicContact CZ-CG 4.04Å; F178-L289 HydrophobicContact CE1-CD1 4.03Å; F178-L331 HydrophobicContact CD1-CD1 3.82Å; F178-L331 HydrophobicContact CE1-CD1 3.64Å; F178-T335 HydrophobicContact CD1-CG2 4.07Å; F178-T335 HydrophobicContact CD2-CG2 4.3Å; F178-T335 HydrophobicContact CE1-CG2 4.09Å; F178-T335 HydrophobicContact CE2-CG2 4.3Å; F178-T335 HydrophobicContact CG-CG2 4.17Å; F178-T335 HydrophobicContact CZ-CG2 4.18Å; F178-P343 HydrophobicContact CB-CB 4.41Å; F178-I345 HydrophobicContact CD1-CG2 4.17Å
179P86.3Confident90.7Very high6 Ų631.5 Ų31.54%0.03915%0.153CC..THydrogen-bonded Turncis-95.810.47.738.6-37.7000115.2D181 P282 Y285P179-D181 VanDerWaalsContact C-OD1 3.28Å; P179-D181 PolarHBondContact O-N 3.34Å; P179-P282 HydrophobicContact CB-CB 4.34Å; P179-P282 HydrophobicContact CG-CB 4.2Å; P179-Y285 VanDerWaalsContact CB-CB 3.49Å; P179-Y285 HydrophobicContact CB-CD2 3.97Å; P179-Y285 HydrophobicContact CB-CG 3.82Å
180F88.7Confident90.8Very high104 Ų10431.5 Ų31.546%0.45615%0.153SC..SBendtrans-92.625178-56.7-77000112Y177 P282 V286 P595Y177-F180 CarbonylContact O-C 3.56Å; Y177-F180 WeakPolarHBondContact O-CA 3.36Å; Y177-F180 PolarHBondContact O-N 2.89Å; F180-P282 HydrophobicContact CD1-CB 3.72Å; F180-P282 HydrophobicContact CD1-CG 3.8Å; F180-P282 HydrophobicContact CE1-CB 3.61Å; F180-P282 HydrophobicContact CE1-CG 3.65Å; F180-P282 HydrophobicContact CZ-CB 4.33Å; F180-V286 HydrophobicContact CE1-CG2 4.39Å; F180-V286 HydrophobicContact CZ-CG2 3.88Å; F180-P595 HydrophobicContact CB-CG 4.32Å; F180-P595 HydrophobicContact CD2-CG 4.11Å; F180-P595 HydrophobicContact CG-CG 4.36Å
181D87.6Confident90.8Very high3 Ų328.2 Ų28.22%0.01613%0.133CC..  trans-70151.4-177.856.2-58.6000112.4P179 Q183 R280P179-D181 VanDerWaalsContact C-OD1 3.28Å; P179-D181 PolarHBondContact O-N 3.34Å; D181-Q183 PolarHBondContact OD2-NE2 2.67Å; D181-R280 PolarHBondContact O-N 2.88Å; D181-R280 WeakPolarHBondContact OD1-CD 3.38Å; D181-R280 IonicContact OD1-NE 3.53Å; D181-R280 PolarHBondContact OD1-NE 2.67Å; D181-R280 IonicContact OD2-CZ 3.11Å; D181-R280 IonicContact OD2-NE 3.35Å; D181-R280 PolarHBondContact OD2-NE 2.97Å; D181-R280 VanDerWaalsContact OD2-NE 3.09Å; D181-R280 IonicContact OD2-NH2 2.7Å; D181-R280 PolarHBondContact OD2-NH2 2.89Å; D181-R280 VanDerWaalsContact OD2-NH2 3.16Å
182T90.4Very high90.7Very high20 Ų2033.3 Ų33.312%0.12316%0.159CC..EExtended strand (participates in β ladder)trans-127.1131.4175.2-63.10000108.3R277 L278 R279 I600T182-R277 HydrophobicContact CG2-CG 3.36Å; T182-L278 CarbonylContact C-O 3.54Å; T182-L278 WeakPolarHBondContact CA-O 3.43Å; T182-R279 HydrophobicContact CG2-CG 4.02Å; T182-I600 HydrophobicContact CG2-CD1 4.48Å; T182-I600 WeakPolarHBondContact O-CD1 3.49Å
183Q91.3Very high90.7Very high2 Ų229.5 Ų29.51%0.00915%0.147CC..EExtended strand (participates in β ladder)trans-110.1138.2-178.3-47.3-53.5-28.300109.7L86 V173 E174 D181 W228 R277 L278L86-Q183 HydrophobicContact CD2-CB 4.41Å; L86-Q183 HydrophobicContact CD2-CG 4.13Å; V173-Q183 HydrophobicContact CG1-CG 4.3Å; E174-Q183 PolarHBondContact O-NE2 3.12Å; D181-Q183 PolarHBondContact OD2-NE2 2.67Å; Q183-W228 HydrophobicContact CG-CH2 3.9Å; Q183-W228 HydrophobicContact CG-CZ3 3.75Å; Q183-R277 CarbonylContact O-C 3.58Å; Q183-R277 WeakPolarHBondContact O-CA 3.08Å; Q183-L278 HydrophobicContact CB-CB 4.27Å; Q183-L278 PolarHBondContact N-O 3.31Å; Q183-L278 PolarHBondContact O-N 3.5Å
184I92.9Very high90.9Very high26 Ų2631 Ų3113%0.13315%0.152CC..EExtended strand (participates in β ladder)trans-115.3104.4174.3-60.3174.8000107.1I247 L275 R277I184-I247 HydrophobicContact CD1-CD1 4.42Å; I184-I247 HydrophobicContact CG1-CD1 4.43Å; I184-I247 HydrophobicContact CG2-CD1 4.26Å; I184-L275 HydrophobicContact CG2-CD2 4.33Å; I184-R277 HydrophobicContact CG1-CG 4.45Å
185C94.4Very high91.2Very high1 Ų127.8 Ų27.81%0.00714%0.138CC..EExtended strand (participates in β ladder)trans-101.7150.9177.7-61.20000111L93 C171 I276L93-C185 HydrophobicContact CD2-CB 3.64Å; C171-C185 HydrophobicContact CB-CB 3.73Å; C171-C185 WeakPolarHBondContact CB-SG 3.34Å; C171-C185 WeakPolarHBondContact SG-CA 3.03Å; C171-C185 WeakPolarHBondContact SG-CB 3.35Å; C171-C185 CovalentContact SG-SG 2.03Å; C171-C185 PolarHBondContact SG-SG 3.25Å; C185-I276 PolarHBondContact N-O 3.48Å; C185-I276 PolarHBondContact O-N 3.41Å
186M94.1Very high91.4Very high39 Ų3932.7 Ų32.719%0.19216%0.156CC..EExtended strand (participates in β ladder)trans-121.9147.5179.162.3-163.8-84.400112.1N137 E188 Y274 L275 F606N137-M186 PolarHBondContact ND2-O 2.94Å; M186-E188 VanDerWaalsContact CE-CD 3.45Å; M186-E188 HydrophobicContact CE-CG 3.52Å; M186-E188 WeakPolarHBondContact CE-OE1 3.38Å; M186-Y274 CarbonylContact C-O 3.58Å; M186-Y274 VanDerWaalsContact CA-O 3.26Å; M186-Y274 WeakPolarHBondContact CA-O 3.36Å; M186-L275 HydrophobicContact CB-CD2 3.85Å; M186-F606 HydrophobicContact SD-CE1 3.78Å; M186-F606 HydrophobicContact SD-CZ 4.22Å
187L95.2Very high91.7Very high0 Ų036.7 Ų36.70%018%0.181CC..EExtended strand (participates in β ladder)trans-125.2113169.8-64.6162.5000108.1L78 L135 S169 F189 Y274 I276L78-L187 HydrophobicContact CD2-CB 4.45Å; L78-L187 HydrophobicContact CD2-CD1 3.72Å; L135-L187 HydrophobicContact CD1-CB 4.05Å; L135-L187 HydrophobicContact CD1-CD2 3.87Å; L135-L187 HydrophobicContact CD2-CD2 4.29Å; S169-L187 VanDerWaalsContact CB-CD2 3.42Å; S169-L187 VanDerWaalsContact OG-CD2 3.25Å; S169-L187 WeakPolarHBondContact OG-CD2 3.37Å; L187-F189 HydrophobicContact CB-CD2 4.34Å; L187-F189 HydrophobicContact CB-CE2 3.61Å; L187-F189 HydrophobicContact CB-CZ 4.34Å; L187-Y274 PolarHBondContact N-O 3.43Å; L187-Y274 PolarHBondContact O-N 3.45Å; L187-I276 HydrophobicContact CD1-CD1 3.82Å
188E94.7Very high92Very high21 Ų2136.1 Ų36.110%0.09818%0.181CC..EExtended strand (participates in β ladder)trans-98.9112.4-176.8-59.5-158.7137.500111.4L135 Y136 N137 M186 V271 L272 R273L135-E188 CarbonylContact C-O 3.54Å; L135-E188 VanDerWaalsContact CA-O 3.29Å; L135-E188 WeakPolarHBondContact CA-O 2.98Å; Y136-E188 PolarHBondContact N-O 3.12Å; N137-E188 HydrophobicContact CB-CG 4.39Å; N137-E188 PolarHBondContact OD1-N 2.86Å; M186-E188 VanDerWaalsContact CE-CD 3.45Å; M186-E188 HydrophobicContact CE-CG 3.52Å; M186-E188 WeakPolarHBondContact CE-OE1 3.38Å; E188-V271 HydrophobicContact CB-CG1 4Å; E188-L272 CarbonylContact C-O 3.54Å; E188-L272 WeakPolarHBondContact CA-O 3.4Å; E188-R273 HydrophobicContact CG-CG 4.11Å; E188-R273 IonicContact OE1-CZ 3.23Å; E188-R273 IonicContact OE1-NE 2.95Å; E188-R273 PolarHBondContact OE1-NE 2.9Å; E188-R273 IonicContact OE1-NH2 2.64Å; E188-R273 PolarHBondContact OE1-NH2 3.07Å
189F95.8Very high92.4Very high2 Ų235.7 Ų35.71%0.00918%0.179CC..EExtended strand (participates in β ladder)trans-108.6131.4177.5-66.9-83.6000111.6Y76 L78 I133 K134 L135 F167 L187 V271 L272 Y274Y76-F189 HydrophobicContact CD1-CB 4.5Å; Y76-F189 HydrophobicContact CE1-CB 3.94Å; Y76-F189 HydrophobicContact CE1-CD1 4.26Å; Y76-F189 AromaticContact CE1-CD2 3.89Å; Y76-F189 HydrophobicContact CE1-CD2 3.89Å; Y76-F189 HydrophobicContact CE1-CE2 4.47Å; Y76-F189 AromaticContact CE1-CG 3.75Å; Y76-F189 HydrophobicContact CE1-CG 3.75Å; Y76-F189 AromaticContact CZ-CD1 3.91Å; Y76-F189 AromaticContact CZ-CG 3.89Å; Y76-F189 VanDerWaalsContact OH-CD1 3.28Å; Y76-F189 WeakPolarHBondContact OH-CD1 3.19Å; Y76-F189 VanDerWaalsContact OH-CE1 3.29Å; Y76-F189 WeakPolarHBondContact OH-CE1 3.31Å; L78-F189 HydrophobicContact CD1-CE2 4.09Å; L78-F189 HydrophobicContact CD1-CZ 3.97Å; L78-F189 HydrophobicContact CD2-CD2 4.41Å; L78-F189 HydrophobicContact CD2-CE2 3.49Å; L78-F189 VanDerWaalsContact CD2-CE2 3.49Å; L78-F189 HydrophobicContact CD2-CZ 4.06Å; L78-F189 HydrophobicContact CG-CE2 4.39Å; I133-F189 HydrophobicContact CG2-CB 3.93Å; I133-F189 HydrophobicContact CG2-CD1 4.3Å; K134-F189 WeakPolarHBondContact O-CA 3.39Å; L135-F189 HydrophobicContact CB-CD1 4.39Å; L135-F189 HydrophobicContact CB-CE1 3.99Å; L135-F189 HydrophobicContact CD1-CE1 4.13Å; L135-F189 HydrophobicContact CD1-CE2 4.18Å; L135-F189 HydrophobicContact CD1-CZ 3.93Å; F167-F189 HydrophobicContact CD1-CE1 4.45Å; F167-F189 HydrophobicContact CD2-CZ 4.14Å; F167-F189 AromaticContact CE1-CE1 3.8Å; F167-F189 HydrophobicContact CE1-CE1 3.8Å; F167-F189 HydrophobicContact CE1-CZ 4.21Å; F167-F189 HydrophobicContact CE2-CE1 4.01Å; F167-F189 AromaticContact CE2-CZ 3.76Å; F167-F189 HydrophobicContact CE2-CZ 3.76Å; F167-F189 AromaticContact CZ-CE1 3.54Å; F167-F189 HydrophobicContact CZ-CE1 3.54Å; F167-F189 AromaticContact CZ-CZ 3.8Å; F167-F189 HydrophobicContact CZ-CZ 3.8Å; L187-F189 HydrophobicContact CB-CD2 4.34Å; L187-F189 HydrophobicContact CB-CE2 3.61Å; L187-F189 HydrophobicContact CB-CZ 4.34Å; F189-V271 CarbonylContact O-C 3.55Å; F189-V271 WeakPolarHBondContact O-CA 3.46Å; F189-L272 PolarHBondContact N-O 3.22Å; F189-L272 PolarHBondContact O-N 2.87Å; F189-Y274 AromaticContact CD2-CD2 3.8Å; F189-Y274 HydrophobicContact CD2-CD2 3.8Å; F189-Y274 HydrophobicContact CD2-CE2 4.09Å; F189-Y274 HydrophobicContact CE2-CD2 4.18Å
190G94.9Very high92.8Very high0 Ų035.9 Ų35.90%018%0.18CC..EExtended strand (participates in β ladder)trans-154.8162.9177.300000112I133 K134I133-G190 WeakPolarHBondContact CA-O 3.29Å; K134-G190 PolarHBondContact N-O 3.19Å; K134-G190 PolarHBondContact O-N 3.12Å
191S94.1Very high93.2Very high1 Ų130.9 Ų30.91%0.00716%0.158CC..EExtended strand (participates in β ladder)trans-72.2129.2171.8170.80000110D132 Y136 T193 Y194D132-S191 VanDerWaalsContact CG-OG 3.29Å; D132-S191 WeakPolarHBondContact OD1-CB 3.21Å; D132-S191 PolarHBondContact OD1-OG 3.36Å; D132-S191 PolarHBondContact OD2-OG 2.74Å; Y136-S191 PolarHBondContact OH-O 3.27Å; S191-T193 VanDerWaalsContact C-N 3.35Å; S191-T193 PolarHBondContact O-N 3.16Å; S191-Y194 WeakPolarHBondContact OG-CB 3.49Å; S191-Y194 WeakPolarHBondContact OG-CD2 3.44Å; S191-Y194 PolarHBondContact OG-N 3.38Å
192L89.3Confident93.6Very high111 Ų11132.3 Ų32.358%0.58117%0.165SC*.SBendtrans-69.5-33.3-178.1-173.161.3000112.8D132D132-L192 PolarHBondContact O-N 3.29Å; D132-L192 PolarHBondContact OD2-N 3.19Å
193T90.9Very high93.9Very high84 Ų8432.3 Ų32.352%0.51516%0.163SC..SBendtrans-119.6-27.9-17063.30000114.7D132 S191D132-T193 WeakPolarHBondContact OD2-CB 3.26Å; D132-T193 PolarHBondContact OD2-N 2.96Å; D132-T193 PolarHBondContact OD2-OG1 3.03Å; S191-T193 VanDerWaalsContact C-N 3.35Å; S191-T193 PolarHBondContact O-N 3.16Å
194Y93.2Very high94.1Very high39 Ų3933.8 Ų33.815%0.15317%0.169CC..  trans-93134.7-175.9-55.9-67.6000112.1R63 W129 D132 S191 Q198 M199 Y269R63-Y194 HydrophobicContact CG-CD1 4.18Å; R63-Y194 HydrophobicContact CG-CE1 3.65Å; R63-Y194 HydrophobicContact CG-CE2 4.48Å; W129-Y194 AromaticContact CZ2-CE2 3.98Å; W129-Y194 HydrophobicContact CZ2-CE2 3.98Å; W129-Y194 PolarHBondContact NE1-OH 3.34Å; D132-Y194 WeakPolarHBondContact OD1-CD2 3.35Å; S191-Y194 WeakPolarHBondContact OG-CB 3.49Å; S191-Y194 WeakPolarHBondContact OG-CD2 3.44Å; S191-Y194 PolarHBondContact OG-N 3.38Å; Y194-Q198 HydrophobicContact CD1-CB 4.21Å; Y194-M199 HydrophobicContact CD2-CB 4.37Å; Y194-M199 HydrophobicContact CD2-SD 3.79Å; Y194-M199 HydrophobicContact CE2-SD 4.47Å; Y194-M199 HydrophobicContact CG-CB 4.14Å; Y194-M199 HydrophobicContact CG-SD 4.48Å; Y194-Y269 WeakPolarHBondContact O-CD1 3.27Å
195D92.9Very high94.2Very high14 Ų1434.2 Ų34.28%0.07517%0.171CC..  trans-82.7171169.269.121.6000111.6T197 Q198 M199 R267 E268 Y269D195-T197 PolarHBondContact O-N 3.44Å; D195-T197 VanDerWaalsContact O-N 3.11Å; D195-T197 WeakPolarHBondContact OD1-CA 3.35Å; D195-T197 WeakPolarHBondContact OD1-CB 3.38Å; D195-T197 PolarHBondContact OD1-N 3.49Å; D195-T197 PolarHBondContact OD1-OG1 3.37Å; D195-T197 PolarHBondContact OD2-OG1 2.86Å; D195-Q198 PolarHBondContact O-N 2.98Å; D195-Q198 WeakPolarHBondContact OD1-CG 3.26Å; D195-Q198 PolarHBondContact OD1-N 2.88Å; D195-Q198 VanDerWaalsContact OD1-N 3.09Å; D195-M199 PolarHBondContact O-N 3.41Å; D195-M199 VanDerWaalsContact O-O 3.1Å; D195-R267 HydrophobicContact CB-CB 4.19Å; D195-R267 WeakPolarHBondContact OD2-CD 3.24Å; D195-R267 IonicContact OD2-NE 3.7Å; D195-E268 WeakPolarHBondContact CB-O 3.38Å; D195-Y269 HydrophobicContact CB-CE1 4.21Å
196R92.4Very high94.1Very high104 Ų10435 Ų3539%0.39218%0.176SC..THydrogen-bonded Turntrans-56.9-25.8179.1-179.6177.7161.4114.31.4113.2Q198 H253 E268R196-Q198 VanDerWaalsContact C-N 3.33Å; R196-H253 PolarHBondContact NH1-CE1 3.12Å; R196-H253 VanDerWaalsContact NH1-CE1 3.27Å; R196-H253 PolarHBondContact NH1-NE2 3.07Å; R196-E268 HydrophobicContact CB-CB 4.41Å; R196-E268 WeakPolarHBondContact CB-O 3.27Å; R196-E268 PolarHBondContact N-O 3.44Å
197T91.9Very high93.9Very high103 Ų10339.9 Ų39.963%0.63220%0.203SC*.THydrogen-bonded Turntrans-76.9-24.3179.874.50000112.2D195D195-T197 PolarHBondContact O-N 3.44Å; D195-T197 VanDerWaalsContact O-N 3.11Å; D195-T197 WeakPolarHBondContact OD1-CA 3.35Å; D195-T197 WeakPolarHBondContact OD1-CB 3.38Å; D195-T197 PolarHBondContact OD1-N 3.49Å; D195-T197 PolarHBondContact OD1-OG1 3.37Å; D195-T197 PolarHBondContact OD2-OG1 2.86Å
198Q93.6Very high93.5Very high69 Ų6942.4 Ų42.432%0.32222%0.22SC..THydrogen-bonded Turntrans-98.9-40.5-179-67.9176.5-28.400112.4R63 K71 V72 Y194 D195 R196R63-Q198 VanDerWaalsContact CD-O 3.31Å; R63-Q198 WeakPolarHBondContact CD-O 3.49Å; R63-Q198 PolarHBondContact NH1-O 2.97Å; K71-Q198 WeakPolarHBondContact CA-O 3.47Å; V72-Q198 PolarHBondContact N-O 2.92Å; Y194-Q198 HydrophobicContact CD1-CB 4.21Å; D195-Q198 PolarHBondContact O-N 2.98Å; D195-Q198 WeakPolarHBondContact OD1-CG 3.26Å; D195-Q198 PolarHBondContact OD1-N 2.88Å; D195-Q198 VanDerWaalsContact OD1-N 3.09Å; R196-Q198 VanDerWaalsContact C-N 3.33Å
199M95.3Very high93.2Very high0 Ų046.5 Ų46.50%025%0.249CC..EExtended strand (participates in β ladder)trans-146.8129.1-178.5-177.6177.1142.700109.9V72 V74 W129 P131 I133 Y194 D195 I201V72-M199 HydrophobicContact CB-CG 4.47Å; V72-M199 VanDerWaalsContact O-CA 3.29Å; V72-M199 WeakPolarHBondContact O-CA 3.4Å; V72-M199 WeakPolarHBondContact O-CG 3.42Å; V74-M199 HydrophobicContact CB-CE 4Å; V74-M199 HydrophobicContact CG2-CE 3.62Å; V74-M199 HydrophobicContact CG2-CG 4.16Å; V74-M199 HydrophobicContact CG2-SD 4.08Å; W129-M199 HydrophobicContact CH2-SD 4.18Å; W129-M199 HydrophobicContact CZ2-SD 4.43Å; P131-M199 HydrophobicContact CB-CE 3.69Å; P131-M199 HydrophobicContact CB-SD 4.2Å; I133-M199 HydrophobicContact CD1-CE 3.89Å; I133-M199 HydrophobicContact CG1-CE 3.72Å; Y194-M199 HydrophobicContact CD2-CB 4.37Å; Y194-M199 HydrophobicContact CD2-SD 3.79Å; Y194-M199 HydrophobicContact CE2-SD 4.47Å; Y194-M199 HydrophobicContact CG-CB 4.14Å; Y194-M199 HydrophobicContact CG-SD 4.48Å; D195-M199 PolarHBondContact O-N 3.41Å; D195-M199 VanDerWaalsContact O-O 3.1Å; M199-I201 HydrophobicContact CE-CD1 4.48Å; M199-I201 HydrophobicContact CE-CG1 4.04Å
200D95.6Very high92.9Very high10 Ų1049.2 Ų49.25%0.05327%0.267CS..EExtended strand (participates in β ladder)trans-111.7141.1172.9-163.513.3000110.5V72 V74 K251V72-D200 PolarHBondContact O-N 2.79Å; V74-D200 PolarHBondContact N-O 2.88Å; D200-K251 IonicContact OD1-NZ 3.09Å; D200-K251 PolarHBondContact OD1-NZ 3.46Å; D200-K251 IonicContact OD2-NZ 3.56Å; D200-K251 PolarHBondContact OD2-NZ 3.02Å
201I96Very high92.8Very high0 Ų055.3 Ų55.30%030%0.298CS..EExtended strand (participates in β ladder)trans-104.4114.6178.5-51.1174.3000107.2V74 Y76 I133 M199 K251 P270 L272V74-I201 WeakPolarHBondContact O-CA 3.34Å; Y76-I201 HydrophobicContact CG-CG2 4.46Å; I133-I201 HydrophobicContact CD1-CD1 4.06Å; I133-I201 HydrophobicContact CD1-CG1 4.2Å; I133-I201 HydrophobicContact CD1-CG2 4.16Å; I133-I201 HydrophobicContact CG1-CD1 4Å; M199-I201 HydrophobicContact CE-CD1 4.48Å; M199-I201 HydrophobicContact CE-CG1 4.04Å; I201-K251 WeakPolarHBondContact O-CE 3.35Å; I201-K251 PolarHBondContact O-NZ 2.87Å; I201-P270 HydrophobicContact CD1-CG 4.44Å; I201-P270 HydrophobicContact CG1-CG 4.17Å; I201-L272 HydrophobicContact CB-CG 4.44Å; I201-L272 HydrophobicContact CG2-CD1 3.49Å; I201-L272 VanDerWaalsContact CG2-CD1 3.49Å; I201-L272 HydrophobicContact CG2-CG 3.84Å
202L96.4Very high92.7Very high32 Ų3259.8 Ų59.817%0.16832%0.319CS..EExtended strand (participates in β ladder)trans-104.1157.9-179-57.4-179.1000110D73 V74 R75 Y76D73-L202 HydrophobicContact CB-CD1 3.95Å; V74-L202 PolarHBondContact O-N 3.44Å; R75-L202 WeakPolarHBondContact CA-O 3.36Å; R75-L202 HydrophobicContact CG-CB 4.27Å; Y76-L202 PolarHBondContact N-O 3.04Å
203W96.7Very high92.9Very high21 Ų2158.8 Ų58.88%0.0831%0.311CS..EExtended strand (participates in β ladder)trans-65.7150.2173.9-61.9117.7000111.3R75 E213 P215 K251 L272 Y274R75-W203 PolarHBondContact NH1-O 3.42Å; W203-E213 HydrophobicContact CB-CB 3.97Å; W203-E213 HydrophobicContact CB-CG 4.33Å; W203-P215 HydrophobicContact CD2-CB 3.84Å; W203-P215 HydrophobicContact CE3-CB 4.25Å; W203-P215 HydrophobicContact CG-CB 4.18Å; W203-P215 HydrophobicContact CH2-CB 4.48Å; W203-P215 HydrophobicContact CZ2-CB 4.07Å; W203-K251 HydrophobicContact CZ2-CB 3.81Å; W203-L272 HydrophobicContact CD2-CD2 4.12Å; W203-L272 HydrophobicContact CE3-CD1 3.84Å; W203-L272 HydrophobicContact CE3-CD2 4.02Å; W203-L272 HydrophobicContact CE3-CG 4.4Å; W203-L272 HydrophobicContact CH2-CB 4.04Å; W203-L272 HydrophobicContact CH2-CD2 3.75Å; W203-L272 HydrophobicContact CH2-CG 4.32Å; W203-L272 HydrophobicContact CZ2-CD2 3.84Å; W203-L272 HydrophobicContact CZ3-CB 3.9Å; W203-L272 HydrophobicContact CZ3-CD1 3.86Å; W203-L272 HydrophobicContact CZ3-CD2 3.83Å; W203-L272 HydrophobicContact CZ3-CG 4.07Å; W203-Y274 HydrophobicContact CZ3-CE1 4.05Å; W203-Y274 HydrophobicContact CZ3-CE2 4.29Å; W203-Y274 AromaticContact CZ3-CZ 3.82Å
204W96.3Very high93Very high32 Ų3255.5 Ų55.512%0.12129%0.29CS..BIsolated β-bridgetrans-61.3144.6172-174.2-100.9000111Y76 M100 K102 L160 M214Y76-W204 PolarHBondContact O-N 3.28Å; M100-W204 HydrophobicContact CB-CD2 4.16Å; M100-W204 HydrophobicContact CB-CE3 3.74Å; M100-W204 HydrophobicContact CB-CH2 4.14Å; M100-W204 HydrophobicContact CB-CZ3 3.72Å; M100-W204 HydrophobicContact CE-CD2 4.31Å; M100-W204 HydrophobicContact CE-CG 4.17Å; M100-W204 HydrophobicContact SD-CD2 4.48Å; M100-W204 HydrophobicContact SD-CZ2 4.41Å; K102-W204 HydrophobicContact CB-CE3 4.48Å; K102-W204 HydrophobicContact CB-CH2 4.11Å; K102-W204 HydrophobicContact CB-CZ3 3.59Å; K102-W204 HydrophobicContact CD-CH2 4.48Å; L160-W204 HydrophobicContact CD1-CH2 3.6Å; L160-W204 HydrophobicContact CD1-CZ3 4.2Å; W204-M214 PolarHBondContact O-N 3.19Å
205I95.3Very high93.1Very high35 Ų3553.7 Ų53.718%0.17928%0.283CS..  trans-121.1116.7172.1-63.5-177.5000106.4I211 E213I205-I211 HydrophobicContact CG2-CG2 3.44Å; I205-I211 VanDerWaalsContact CG2-CG2 3.44Å; I205-E213 HydrophobicContact CD1-CG 4.21Å; I205-E213 HydrophobicContact CG1-CG 4.04Å
206P91.9Very high93.2Very high18 Ų1854.2 Ų54.212%0.11728%0.284CS..  trans-72.7152.2174.131-31.9000110.8S208 E212 H240P206-S208 PolarHBondContact O-N 2.7Å; P206-E212 WeakPolarHBondContact CD-O 3.37Å; P206-H240 WeakPolarHBondContact CG-CE1 3.49Å
207D88.6Confident93.3Very high141 Ų14149.2 Ų49.275%0.75427%0.265SS*.SBendtrans-74.9-6.8177.5-61.7-39.9000112.5
208S86.8Confident93.3Very high53 Ų5345.1 Ų45.137%0.37124%0.24SC..SBendtrans-78.8133.5177.158.80000111.8P206 P210P206-S208 PolarHBondContact O-N 2.7Å; S208-P210 CarbonylContact O-C 3.53Å
209P89.3Confident93.4Very high108 Ų10842 Ų4270%0.70123%0.225SC*.SBendtrans-72.3144.317728.8-33.7000112.3
210P90.5Very high93.2Very high59 Ų5944.6 Ų44.638%0.38324%0.243SC..SBendcis-69.7139.5-4.328.3-36.1000113.4S208 E212 H239 V241S208-P210 CarbonylContact O-C 3.53Å; P210-E212 VanDerWaalsContact C-N 3.32Å; P210-E212 HydrophobicContact CB-CG 4.33Å; P210-E212 PolarHBondContact O-N 2.94Å; P210-H239 WeakPolarHBondContact CD-CE1 3.36Å; P210-V241 HydrophobicContact CG-CG2 3.98Å
211I91.3Very high93Very high127 Ų12748.1 Ų48.165%0.65126%0.262SS*.  trans-78.182.8-179-55.9173.4000108.4I205I205-I211 HydrophobicContact CG2-CG2 3.44Å; I205-I211 VanDerWaalsContact CG2-CG2 3.44Å
212E93Very high93Very high95 Ų9548.4 Ų48.444%0.44426%0.263SS..  trans-126.4165.5-178.3-71.5-178.5-155.900111.6P206 P210 H240 V241P206-E212 WeakPolarHBondContact CD-O 3.37Å; P210-E212 VanDerWaalsContact C-N 3.32Å; P210-E212 HydrophobicContact CB-CG 4.33Å; P210-E212 PolarHBondContact O-N 2.94Å; E212-H240 PolarHBondContact O-NE2 3.35Å; E212-V241 HydrophobicContact CB-CG2 4.14Å; E212-V241 WeakPolarHBondContact OE2-CG2 3.48Å
213E93.2Very high92.9Very high91 Ų9150 Ų5043%0.42527%0.274SS..  trans-70.2137.4176.8-68.5-169.9163.300111.3R75 W203 I205 P215R75-E213 IonicContact NH1-OE1 2.74Å; W203-E213 HydrophobicContact CB-CB 3.97Å; W203-E213 HydrophobicContact CB-CG 4.33Å; I205-E213 HydrophobicContact CD1-CG 4.21Å; I205-E213 HydrophobicContact CG1-CG 4.04Å; E213-P215 VanDerWaalsContact C-CD 3.44Å; E213-P215 WeakPolarHBondContact O-CD 3.2Å
214M93.9Very high92.7Very high14 Ų1452.5 Ų52.57%0.06929%0.293CS..BIsolated β-bridgetrans-107.786.3179.5-177.5176.7176.900111W204 Y216 D218 H240 R243W204-M214 PolarHBondContact O-N 3.19Å; M214-Y216 PolarHBondContact O-N 2.79Å; M214-D218 HydrophobicContact CE-CB 3.71Å; M214-H240 HydrophobicContact CB-CB 4.38Å; M214-H240 HydrophobicContact CE-CB 4.33Å; M214-H240 HydrophobicContact CG-CB 3.76Å; M214-H240 HydrophobicContact SD-CB 4.13Å; M214-R243 VanDerWaalsContact CE-NH1 3.34Å
215P94.3Very high92.5Very high1 Ų152.5 Ų52.51%0.00630%0.298CS..  trans-83.847.1174.335.6-36.2000111W203 E213 R248 S249W203-P215 HydrophobicContact CD2-CB 3.84Å; W203-P215 HydrophobicContact CE3-CB 4.25Å; W203-P215 HydrophobicContact CG-CB 4.18Å; W203-P215 HydrophobicContact CH2-CB 4.48Å; W203-P215 HydrophobicContact CZ2-CB 4.07Å; E213-P215 VanDerWaalsContact C-CD 3.44Å; E213-P215 WeakPolarHBondContact O-CD 3.2Å; P215-R248 HydrophobicContact CB-CG 4.27Å; P215-R248 HydrophobicContact CG-CG 4.01Å; P215-S249 WeakPolarHBondContact O-CB 3.32Å; P215-S249 PolarHBondContact O-N 2.79Å; P215-S249 PolarHBondContact O-OG 3.13Å
216Y94.4Very high92.2Very high25 Ų2557.8 Ų57.810%0.09833%0.326CS..SBendtrans-137151.9179.8-61.8-74.2000109.3M214 H240 Q246 R248M214-Y216 PolarHBondContact O-N 2.79Å; Y216-H240 HydrophobicContact CD2-CB 4.22Å; Y216-H240 VanDerWaalsContact CE2-O 3.28Å; Y216-H240 WeakPolarHBondContact CE2-O 3.19Å; Y216-Q246 HydrophobicContact CD1-CB 4.26Å; Y216-Q246 HydrophobicContact CD1-CG 4Å; Y216-R248 VanDerWaalsContact CE1-CA 3.43Å; Y216-R248 HydrophobicContact CE1-CB 3.78Å; Y216-R248 HydrophobicContact CE1-CG 4.15Å
217L94.3Very high92.1Very high0 Ų062.1 Ų62.10%035%0.345CS..  trans-67.9133.3167.6-170.774.4000109.1L78 L80 F219 R243 Q246 Y274 I276L78-L217 HydrophobicContact CB-CD1 3.77Å; L78-L217 HydrophobicContact CD2-CD1 3.51Å; L78-L217 HydrophobicContact CG-CD1 3.56Å; L78-L217 WeakPolarHBondContact O-CD1 3.22Å; L80-L217 HydrophobicContact CB-CD1 4.19Å; L80-L217 HydrophobicContact CB-CD2 3.43Å; L80-L217 VanDerWaalsContact CB-CD2 3.43Å; L80-L217 HydrophobicContact CB-CG 3.85Å; L80-L217 HydrophobicContact CD2-CD2 3.69Å; L80-L217 HydrophobicContact CG-CD2 4.12Å; L217-F219 HydrophobicContact CB-CD2 4.38Å; L217-F219 HydrophobicContact CB-CE2 3.82Å; L217-F219 HydrophobicContact CD2-CD2 4.35Å; L217-F219 HydrophobicContact CD2-CE1 4.4Å; L217-F219 HydrophobicContact CD2-CE2 3.5Å; L217-F219 HydrophobicContact CD2-CZ 3.53Å; L217-F219 HydrophobicContact CG-CD2 4.38Å; L217-F219 HydrophobicContact CG-CE2 3.89Å; L217-F219 HydrophobicContact CG-CZ 4.4Å; L217-F219 WeakPolarHBondContact O-CD2 3.45Å; L217-R243 PolarHBondContact O-NH1 2.76Å; L217-Q246 VanDerWaalsContact N-NE2 3.15Å; L217-Q246 PolarHBondContact O-NE2 2.79Å; L217-Y274 HydrophobicContact CB-CD1 4.47Å; L217-Y274 HydrophobicContact CD1-CD1 4.34Å; L217-I276 HydrophobicContact CD2-CD1 3.49Å; L217-I276 VanDerWaalsContact CD2-CD1 3.49Å; L217-I276 HydrophobicContact CD2-CG1 3.78Å
218D93.8Very high92.4Very high17 Ų1755.5 Ų55.59%0.09131%0.31CS..BIsolated β-bridgetrans-83.8132.4175-178.128.2000111.1L78 Q79 L80 M214 S220L78-D218 PolarHBondContact O-N 3.22Å; Q79-D218 CarbonylContact C-O 3.59Å; Q79-D218 WeakPolarHBondContact CA-O 3.46Å; Q79-D218 HydrophobicContact CB-CB 3.89Å; Q79-D218 HydrophobicContact CG-CB 3.9Å; Q79-D218 WeakPolarHBondContact CG-OD2 3.4Å; Q79-D218 PolarHBondContact NE2-OD2 2.92Å; L80-D218 PolarHBondContact N-O 3.43Å; M214-D218 HydrophobicContact CE-CB 3.71Å; D218-S220 WeakPolarHBondContact OD1-CB 3.46Å; D218-S220 PolarHBondContact OD1-N 3.08Å; D218-S220 PolarHBondContact OD1-OG 2.77Å; D218-S220 PolarHBondContact OD2-OG 3.33Å
219F94.6Very high92.6Very high4 Ų458.3 Ų58.32%0.01831%0.312CS..  trans-115.911.8179.7-75.3-100.7000111.8L80 L217 D221 Y222 T230 R236L80-F219 HydrophobicContact CD2-CD1 4.34Å; L80-F219 HydrophobicContact CD2-CE1 3.57Å; L80-F219 HydrophobicContact CD2-CZ 3.88Å; L217-F219 HydrophobicContact CB-CD2 4.38Å; L217-F219 HydrophobicContact CB-CE2 3.82Å; L217-F219 HydrophobicContact CD2-CD2 4.35Å; L217-F219 HydrophobicContact CD2-CE1 4.4Å; L217-F219 HydrophobicContact CD2-CE2 3.5Å; L217-F219 HydrophobicContact CD2-CZ 3.53Å; L217-F219 HydrophobicContact CG-CD2 4.38Å; L217-F219 HydrophobicContact CG-CE2 3.89Å; L217-F219 HydrophobicContact CG-CZ 4.4Å; L217-F219 WeakPolarHBondContact O-CD2 3.45Å; F219-D221 PolarHBondContact O-N 3.3Å; F219-Y222 AromaticContact CD1-CD1 3.83Å; F219-Y222 HydrophobicContact CD1-CD1 3.83Å; F219-Y222 HydrophobicContact CD1-CD2 4.03Å; F219-Y222 HydrophobicContact CD1-CE1 4.39Å; F219-Y222 AromaticContact CD1-CG 3.62Å; F219-Y222 HydrophobicContact CD1-CG 3.62Å; F219-Y222 HydrophobicContact CE1-CD1 4.41Å; F219-Y222 HydrophobicContact CE1-CD2 4.33Å; F219-Y222 HydrophobicContact CE1-CG 4.3Å; F219-Y222 VanDerWaalsContact O-CB 3.26Å; F219-Y222 WeakPolarHBondContact O-CB 3.29Å; F219-Y222 PolarHBondContact O-N 3.05Å; F219-T230 HydrophobicContact CE1-CG2 4.22Å; F219-T230 WeakPolarHBondContact CE1-OG1 3.48Å; F219-R236 PolarHBondContact O-NE 3.06Å
220S91Very high92.8Very high54 Ų5453.2 Ų53.238%0.37828%0.279SS..THydrogen-bonded Turntrans-53.5-40.3-175.6-63.40000113D218 R236D218-S220 WeakPolarHBondContact OD1-CB 3.46Å; D218-S220 PolarHBondContact OD1-N 3.08Å; D218-S220 PolarHBondContact OD1-OG 2.77Å; D218-S220 PolarHBondContact OD2-OG 3.33Å; S220-R236 PolarHBondContact O-NE 3.32Å; S220-R236 PolarHBondContact O-NH2 3.02Å
221D92Very high92.8Very high84 Ų8450.5 Ų50.545%0.44926%0.261SS..THydrogen-bonded Turntrans-106.518.9178.3-63.6-42.1000113.6Q79 F81 F219 V223Q79-D221 PolarHBondContact NE2-OD2 3.15Å; F81-D221 HydrophobicContact CD2-CB 4.16Å; F81-D221 WeakPolarHBondContact CD2-O 3.29Å; F81-D221 HydrophobicContact CE2-CB 4.5Å; F219-D221 PolarHBondContact O-N 3.3Å; D221-V223 PolarHBondContact O-N 2.98Å
222Y95.3Very high92.7Very high5 Ų544.6 Ų44.62%0.0223%0.231CC..PPolyproline II helixtrans-68.5130.6-176.5178.7-114.7000112.3L80 F81 I83 F219 P224 E233L80-Y222 HydrophobicContact CD2-CD2 4.08Å; L80-Y222 HydrophobicContact CD2-CE2 3.93Å; L80-Y222 HydrophobicContact CG-CD2 4.01Å; L80-Y222 HydrophobicContact CG-CE2 4.2Å; F81-Y222 WeakPolarHBondContact O-CA 3.4Å; I83-Y222 HydrophobicContact CD1-CE2 4.36Å; I83-Y222 WeakPolarHBondContact CD1-OH 3.47Å; I83-Y222 HydrophobicContact CG1-CE2 4.09Å; F219-Y222 AromaticContact CD1-CD1 3.83Å; F219-Y222 HydrophobicContact CD1-CD1 3.83Å; F219-Y222 HydrophobicContact CD1-CD2 4.03Å; F219-Y222 HydrophobicContact CD1-CE1 4.39Å; F219-Y222 AromaticContact CD1-CG 3.62Å; F219-Y222 HydrophobicContact CD1-CG 3.62Å; F219-Y222 HydrophobicContact CE1-CD1 4.41Å; F219-Y222 HydrophobicContact CE1-CD2 4.33Å; F219-Y222 HydrophobicContact CE1-CG 4.3Å; F219-Y222 VanDerWaalsContact O-CB 3.26Å; F219-Y222 WeakPolarHBondContact O-CB 3.29Å; F219-Y222 PolarHBondContact O-N 3.05Å; Y222-P224 HydrophobicContact CE1-CB 4.36Å; Y222-E233 HydrophobicContact CD1-CB 4.42Å; Y222-E233 HydrophobicContact CE1-CB 4.31Å; Y222-E233 HydrophobicContact CE1-CG 4.43Å
223V95Very high92.5Very high65 Ų6543.5 Ų43.539%0.39423%0.227SC..PPolyproline II helixtrans-93.5118.9169-178.70000108.7F81 D221F81-V223 HydrophobicContact CE1-CG2 4.38Å; F81-V223 HydrophobicContact CZ-CG2 4.19Å; F81-V223 PolarHBondContact O-N 2.79Å; D221-V223 PolarHBondContact O-N 2.98Å
224P92.8Very high92.3Very high74 Ų7445.6 Ų45.648%0.48123%0.234SC..PPolyproline II helixtrans-63.2141.1-175.526.1-34.3000112.3Y222Y222-P224 HydrophobicContact CE1-CB 4.36Å
225S91Very high92.1Very high32 Ų3245.3 Ų45.322%0.22423%0.233CC..PPolyproline II helixtrans-88.9144.6174.5176.80000110.5E227S225-E227 VanDerWaalsContact C-N 3.3Å; S225-E227 PolarHBondContact OG-N 2.94Å
226N90Very high91.8Very high146 Ų14650.5 Ų50.578%0.78125%0.252SS*.SBendtrans-73.8-25176.4-69.2-24.2000112.6N281N226-N281 PolarHBondContact O-ND2 3.46Å
227E90Very high91.4Very high110 Ų11058.6 Ų58.651%0.51429%0.291SS..SBendtrans-95.6-36.1-173.6-65.6-179.6-178.600112.4S225 R280 N281S225-E227 VanDerWaalsContact C-N 3.3Å; S225-E227 PolarHBondContact OG-N 2.94Å; E227-R280 CarbonylContact O-C 3.47Å; E227-N281 WeakPolarHBondContact O-CB 3.39Å; E227-N281 PolarHBondContact O-N 3.25Å
228W93.1Very high91.2Very high1 Ų161.2 Ų61.20%0.00431%0.307CS..EExtended strand (participates in β ladder)trans-123.9124.5-171.6-59.799000111.2L86 Q183 L278 R279 R280L86-W228 HydrophobicContact CB-CZ2 4.14Å; L86-W228 HydrophobicContact CD2-CH2 3.74Å; L86-W228 HydrophobicContact CD2-CZ2 3.63Å; L86-W228 HydrophobicContact CD2-CZ3 4.4Å; L86-W228 HydrophobicContact CG-CZ2 4.34Å; Q183-W228 HydrophobicContact CG-CH2 3.9Å; Q183-W228 HydrophobicContact CG-CZ3 3.75Å; W228-L278 HydrophobicContact CD2-CB 4.31Å; W228-L278 HydrophobicContact CE3-CB 3.73Å; W228-L278 HydrophobicContact CZ3-CB 4.3Å; W228-R279 WeakPolarHBondContact CA-O 3.3Å; W228-R280 HydrophobicContact CE3-CB 4.24Å; W228-R280 HydrophobicContact CH2-CB 4.35Å; W228-R280 VanDerWaalsContact CH2-CZ 3.47Å; W228-R280 VanDerWaalsContact CH2-NH2 3.26Å; W228-R280 HydrophobicContact CZ3-CB 3.83Å; W228-R280 HydrophobicContact CZ3-CG 4.48Å
229R92.6Very high91Very high112 Ų11262.7 Ų62.742%0.42331%0.313SS..EExtended strand (participates in β ladder)trans-94.5141168.5-63.4-171.7178.590.25.5109.4R279 N281R229-R279 HydrophobicContact CB-CB 4.48Å; R229-R279 PolarHBondContact N-O 2.84Å; R229-R279 PolarHBondContact O-N 2.9Å; R229-N281 VanDerWaalsContact CZ-OD1 3.31Å; R229-N281 VanDerWaalsContact NH1-CG 3.31Å; R229-N281 PolarHBondContact NH1-OD1 2.78Å; R229-N281 PolarHBondContact NH2-OD1 3.42Å
230T93.4Very high90.7Very high1 Ų162.9 Ų62.91%0.00631%0.314CS..EExtended strand (participates in β ladder)trans-118.5157.917970.60000111.6I83 F219 G232 E233 L278I83-T230 HydrophobicContact CD1-CG2 3.63Å; F219-T230 HydrophobicContact CE1-CG2 4.22Å; F219-T230 WeakPolarHBondContact CE1-OG1 3.48Å; T230-G232 VanDerWaalsContact C-N 3.35Å; T230-E233 WeakPolarHBondContact OG1-CB 3.37Å; T230-E233 PolarHBondContact OG1-N 3.44Å; T230-L278 HydrophobicContact CG2-CD2 3.53Å
231D90.3Very high90.6Very high3 Ų363 Ų632%0.01631%0.312CS..Hα-helixtrans-67.9-37.8174.3-70.6-26.1000111.7E233 K234 E235 I245 R277 R279D231-E233 VanDerWaalsContact C-N 3.25Å; D231-E233 PolarHBondContact O-N 2.78Å; D231-K234 WeakPolarHBondContact O-CB 3.18Å; D231-K234 PolarHBondContact O-N 2.82Å; D231-E235 PolarHBondContact O-N 3.26Å; D231-I245 HydrophobicContact CB-CG2 3.79Å; D231-R277 WeakPolarHBondContact OD2-CB 3.38Å; D231-R277 WeakPolarHBondContact OD2-CD 3.45Å; D231-R277 IonicContact OD2-CZ 3.81Å; D231-R277 IonicContact OD2-NE 3.01Å; D231-R277 IonicContact OD2-NH1 3.22Å; D231-R277 PolarHBondContact OD2-NH1 3.5Å; D231-R279 IonicContact OD1-CZ 2.68Å; D231-R279 IonicContact OD1-NH1 3.29Å; D231-R279 PolarHBondContact OD1-NH1 3.36Å; D231-R279 IonicContact OD1-NH2 2.67Å; D231-R279 PolarHBondContact OD1-NH2 3.09Å
232G88.2Confident90.6Very high2 Ų264.4 Ų64.42%0.02132%0.32CS..Hα-helixtrans-66.2-25179.400000114.1T230 K234 E235 R236T230-G232 VanDerWaalsContact C-N 3.35Å; G232-K234 VanDerWaalsContact C-N 3.33Å; G232-E235 CarbonylContact O-C 3.55Å; G232-E235 PolarHBondContact O-N 3.3Å; G232-R236 PolarHBondContact O-N 3.35Å; G232-R236 VanDerWaalsContact O-N 3.08Å
233E90.1Very high90.3Very high73 Ų7365.1 Ų65.134%0.34132%0.323SS..Hα-helixtrans-63.2-38.1170.5-175.6-177169.500112Y222 T230 D231Y222-E233 HydrophobicContact CD1-CB 4.42Å; Y222-E233 HydrophobicContact CE1-CB 4.31Å; Y222-E233 HydrophobicContact CE1-CG 4.43Å; T230-E233 WeakPolarHBondContact OG1-CB 3.37Å; T230-E233 PolarHBondContact OG1-N 3.44Å; D231-E233 VanDerWaalsContact C-N 3.25Å; D231-E233 PolarHBondContact O-N 2.78Å
234K88.2Confident90Very high134 Ų13467.9 Ų67.958%0.58334%0.34SS*.Hα-helixtrans-72.6-31.7178.7-63.9-178.9178.4178.40112.7D231 G232D231-K234 WeakPolarHBondContact O-CB 3.18Å; D231-K234 PolarHBondContact O-N 2.82Å; G232-K234 VanDerWaalsContact C-N 3.33Å
235E90.2Very high89.7Confident8 Ų867.7 Ų67.74%0.03733%0.334CS..THydrogen-bonded Turntrans-10219.6-179.1-67.4-173.3141.600112.8D231 G232 E237 V238 R243 T244 I245 Q246D231-E235 PolarHBondContact O-N 3.26Å; G232-E235 CarbonylContact O-C 3.55Å; G232-E235 PolarHBondContact O-N 3.3Å; E235-E237 VanDerWaalsContact C-N 3.31Å; E235-E237 PolarHBondContact O-N 2.87Å; E235-V238 HydrophobicContact CB-CB 4.15Å; E235-V238 HydrophobicContact CB-CG2 4.27Å; E235-V238 HydrophobicContact CG-CG2 4.46Å; E235-V238 WeakPolarHBondContact O-CB 3.45Å; E235-V238 PolarHBondContact O-N 3.4Å; E235-R243 HydrophobicContact CB-CG 4.23Å; E235-R243 WeakPolarHBondContact OE2-CB 3.47Å; E235-T244 PolarHBondContact OE1-N 2.84Å; E235-T244 PolarHBondContact OE1-OG1 3.3Å; E235-I245 HydrophobicContact CG-CB 4.28Å; E235-I245 HydrophobicContact CG-CD1 4.13Å; E235-I245 HydrophobicContact CG-CG1 4.4Å; E235-I245 WeakPolarHBondContact OE1-CG1 3.12Å; E235-I245 PolarHBondContact OE1-N 3.13Å; E235-I245 PolarHBondContact OE2-N 3.4Å; E235-Q246 WeakPolarHBondContact OE2-CB 3.48Å; E235-Q246 PolarHBondContact OE2-N 2.79Å
236R87Confident89.7Confident111 Ų11166.8 Ų66.842%0.41933%0.326SS..THydrogen-bonded Turntrans-57-41.7-176.1-177.9177.5179.4-170.72.1113.1F219 S220 G232 V238F219-R236 PolarHBondContact O-NE 3.06Å; S220-R236 PolarHBondContact O-NE 3.32Å; S220-R236 PolarHBondContact O-NH2 3.02Å; G232-R236 PolarHBondContact O-N 3.35Å; G232-R236 VanDerWaalsContact O-N 3.08Å; R236-V238 VanDerWaalsContact C-N 3.34Å
237E86.5Confident89.7Confident195 Ų19560.5 Ų60.591%0.91129%0.292SS*.THydrogen-bonded Turntrans-87.9-4.6179.8-61.9-179.9-178.500112.8E235E235-E237 VanDerWaalsContact C-N 3.31Å; E235-E237 PolarHBondContact O-N 2.87Å
238V89.8Confident89.8Confident55 Ų5561.2 Ų61.233%0.33329%0.29SS..SBendtrans-88.1127.3-178-176.50000109.6E235 R236 N242 R243E235-V238 HydrophobicContact CB-CB 4.15Å; E235-V238 HydrophobicContact CB-CG2 4.27Å; E235-V238 HydrophobicContact CG-CG2 4.46Å; E235-V238 WeakPolarHBondContact O-CB 3.45Å; E235-V238 PolarHBondContact O-N 3.4Å; R236-V238 VanDerWaalsContact C-N 3.34Å; V238-N242 HydrophobicContact CG1-CB 3.91Å; V238-R243 HydrophobicContact CB-CG 4.43Å; V238-R243 HydrophobicContact CG1-CG 4.18Å; V238-R243 PolarHBondContact O-NE 2.79Å; V238-R243 VanDerWaalsContact O-NE 3.12Å; V238-R243 PolarHBondContact O-NH2 3.21Å
239H89.5Confident89.8Confident48 Ų4861.3 Ų61.322%0.22229%0.291CS..  trans-57.1139.5173.9-170-95.1000110.9P210 V241 N242P210-H239 WeakPolarHBondContact CD-CE1 3.36Å; H239-V241 PolarHBondContact O-N 2.81Å; H239-N242 PolarHBondContact O-N 3.41Å
240H89.6Confident89.8Confident7 Ų757 Ų573%0.03228%0.277CS..G310 helixtrans-55.4-32.9-168.764.1-85.7000115P206 E212 M214 Y216 N242 R243P206-H240 WeakPolarHBondContact CG-CE1 3.49Å; E212-H240 PolarHBondContact O-NE2 3.35Å; M214-H240 HydrophobicContact CB-CB 4.38Å; M214-H240 HydrophobicContact CE-CB 4.33Å; M214-H240 HydrophobicContact CG-CB 3.76Å; M214-H240 HydrophobicContact SD-CB 4.13Å; Y216-H240 HydrophobicContact CD2-CB 4.22Å; Y216-H240 VanDerWaalsContact CE2-O 3.28Å; Y216-H240 WeakPolarHBondContact CE2-O 3.19Å; H240-N242 VanDerWaalsContact C-N 3.3Å; H240-N242 PolarHBondContact O-N 2.84Å; H240-R243 PolarHBondContact O-N 2.79Å
241V89Confident89.8Confident58 Ų5859.5 Ų59.535%0.35229%0.288SS..G310 helixtrans-66.3-31.2177.2-178.10000112.6P210 E212 H239P210-V241 HydrophobicContact CG-CG2 3.98Å; E212-V241 HydrophobicContact CB-CG2 4.14Å; E212-V241 WeakPolarHBondContact OE2-CG2 3.48Å; H239-V241 PolarHBondContact O-N 2.81Å
242N90.2Very high89.9Confident113 Ų11363.4 Ų63.460%0.60431%0.305SS*.G310 helixtrans-95.27.5-176.8-65.6-17.3000112.8V238 H239 H240V238-N242 HydrophobicContact CG1-CB 3.91Å; H239-N242 PolarHBondContact O-N 3.41Å; H240-N242 VanDerWaalsContact C-N 3.3Å; H240-N242 PolarHBondContact O-N 2.84Å
243R90.5Very high90.1Very high20 Ų2066.2 Ų66.28%0.07532%0.317CS..  trans-75.6132.7177.7-66.7-176-173.51733.7110.2M214 L217 E235 V238 H240M214-R243 VanDerWaalsContact CE-NH1 3.34Å; L217-R243 PolarHBondContact O-NH1 2.76Å; E235-R243 HydrophobicContact CB-CG 4.23Å; E235-R243 WeakPolarHBondContact OE2-CB 3.47Å; V238-R243 HydrophobicContact CB-CG 4.43Å; V238-R243 HydrophobicContact CG1-CG 4.18Å; V238-R243 PolarHBondContact O-NE 2.79Å; V238-R243 VanDerWaalsContact O-NE 3.12Å; V238-R243 PolarHBondContact O-NH2 3.21Å; H240-R243 PolarHBondContact O-N 2.79Å
244T87.3Confident90.1Very high123 Ų12368.2 Ų68.276%0.75532%0.322SS*.  trans-127.6-24.9-176.358.40000112.8E235E235-T244 PolarHBondContact OE1-N 2.84Å; E235-T244 PolarHBondContact OE1-OG1 3.3Å
245I87.9Confident90.3Very high70 Ų7070.6 Ų70.636%0.35933%0.327SS..SBendtrans-90.1-42.1-176-53.1171.5000109.9D231 E235 I247D231-I245 HydrophobicContact CB-CG2 3.79Å; E235-I245 HydrophobicContact CG-CB 4.28Å; E235-I245 HydrophobicContact CG-CD1 4.13Å; E235-I245 HydrophobicContact CG-CG1 4.4Å; E235-I245 WeakPolarHBondContact OE1-CG1 3.12Å; E235-I245 PolarHBondContact OE1-N 3.13Å; E235-I245 PolarHBondContact OE2-N 3.4Å; I245-I247 PolarHBondContact O-N 3.33Å
246Q89.9Confident90.3Very high12 Ų1275.2 Ų75.26%0.05634%0.344CS..SBendtrans-63.8134.4179.3-1711776.500111.4Y216 L217 E235 R248Y216-Q246 HydrophobicContact CD1-CB 4.26Å; Y216-Q246 HydrophobicContact CD1-CG 4Å; L217-Q246 VanDerWaalsContact N-NE2 3.15Å; L217-Q246 PolarHBondContact O-NE2 2.79Å; E235-Q246 WeakPolarHBondContact OE2-CB 3.48Å; E235-Q246 PolarHBondContact OE2-N 2.79Å; Q246-R248 PolarHBondContact O-N 3.16Å
247I90.2Very high90.4Very high14 Ų1473.6 Ų73.67%0.07235%0.35CS..PPolyproline II helixtrans-65.5126.1175.4-54.9177.3000109.3I184 I245 S249 L275 R277 I602I184-I247 HydrophobicContact CD1-CD1 4.42Å; I184-I247 HydrophobicContact CG1-CD1 4.43Å; I184-I247 HydrophobicContact CG2-CD1 4.26Å; I245-I247 PolarHBondContact O-N 3.33Å; I247-S249 PolarHBondContact O-N 3.09Å; I247-L275 HydrophobicContact CB-CB 4.14Å; I247-L275 HydrophobicContact CG2-CB 3.75Å; I247-L275 HydrophobicContact CG2-CD1 3.63Å; I247-L275 HydrophobicContact CG2-CG 4.33Å; I247-R277 HydrophobicContact CD1-CB 3.92Å; I247-R277 HydrophobicContact CG1-CB 4.48Å; I247-I602 HydrophobicContact CD1-CD1 4.33Å; I247-I602 HydrophobicContact CD1-CG1 4.38Å; I247-I602 HydrophobicContact CG1-CD1 4.17Å; I247-I602 HydrophobicContact CG2-CD1 4.17Å
248R91.8Very high90.4Very high125 Ų12568.1 Ų68.147%0.47232%0.324SS..PPolyproline II helixtrans-65130.8172.3-170.7178.8178.389.9-4.8109.9P215 Y216 Q246P215-R248 HydrophobicContact CB-CG 4.27Å; P215-R248 HydrophobicContact CG-CG 4.01Å; Y216-R248 VanDerWaalsContact CE1-CA 3.43Å; Y216-R248 HydrophobicContact CE1-CB 3.78Å; Y216-R248 HydrophobicContact CE1-CG 4.15Å; Q246-R248 PolarHBondContact O-N 3.16Å
249S93.7Very high90.2Very high3 Ų370.9 Ų70.92%0.02134%0.342CS..PPolyproline II helixtrans-76.1148.1177-57.90000110.3P215 I247 R273 Y274P215-S249 WeakPolarHBondContact O-CB 3.32Å; P215-S249 PolarHBondContact O-N 2.79Å; P215-S249 PolarHBondContact O-OG 3.13Å; I247-S249 PolarHBondContact O-N 3.09Å; S249-R273 WeakPolarHBondContact CA-O 3.48Å; S249-R273 VanDerWaalsContact CB-O 3.25Å; S249-R273 WeakPolarHBondContact CB-O 3.5Å; S249-Y274 WeakPolarHBondContact OG-CD1 3.41Å
250V93Very high90.1Very high23 Ų2372.5 Ų72.514%0.13935%0.354CS..EExtended strand (participates in β ladder)trans-113.2138.5-171.2-178.70000110.4R273V250-R273 PolarHBondContact N-O 2.92Å; V250-R273 WeakPolarHBondContact O-CB 3.28Å; V250-R273 PolarHBondContact O-N 3.49Å
251K94Very high90.1Very high52 Ų5275.6 Ų75.623%0.22639%0.389CS..EExtended strand (participates in β ladder)trans-98.4118.1170.7178171.5177.6172.40108.7D200 I201 W203 V271 L272D200-K251 IonicContact OD1-NZ 3.09Å; D200-K251 PolarHBondContact OD1-NZ 3.46Å; D200-K251 IonicContact OD2-NZ 3.56Å; D200-K251 PolarHBondContact OD2-NZ 3.02Å; I201-K251 WeakPolarHBondContact O-CE 3.35Å; I201-K251 PolarHBondContact O-NZ 2.87Å; W203-K251 HydrophobicContact CZ2-CB 3.81Å; K251-V271 WeakPolarHBondContact CA-O 3.21Å; K251-L272 HydrophobicContact CB-CD2 3.89Å; K251-L272 HydrophobicContact CD-CD2 3.96Å; K251-L272 HydrophobicContact CG-CD2 3.82Å
252K92.4Very high90.1Very high85 Ų8581.2 Ų81.237%0.3742%0.417SS..EExtended strand (participates in β ladder)trans-116147.4179-173.2172.7-176.5169.90110.7V271K252-V271 PolarHBondContact N-O 3.28Å; K252-V271 PolarHBondContact O-N 3.39Å
253H92.2Very high90.1Very high61 Ų6182.5 Ų82.528%0.28242%0.419SS..EExtended strand (participates in β ladder)trans-103.8118.2172.7-59.992.8000110R196 Y269R196-H253 PolarHBondContact NH1-CE1 3.12Å; R196-H253 VanDerWaalsContact NH1-CE1 3.27Å; R196-H253 PolarHBondContact NH1-NE2 3.07Å; H253-Y269 WeakPolarHBondContact CA-O 3.33Å
254R90.4Very high90.1Very high116 Ų11686.2 Ų86.244%0.43844%0.444SS..EExtended strand (participates in β ladder)trans-88.4111.8176-171.6175.3-178.1169.62.6109.3Y269 V271R254-Y269 PolarHBondContact N-O 2.93Å; R254-Y269 PolarHBondContact O-N 3.05Å; R254-V271 HydrophobicContact CB-CG2 4.31Å
255R91.2Very high90.2Very high183 Ų18383.2 Ų83.269%0.69142%0.422SS*.EExtended strand (participates in β ladder)trans-78.2129.7172.8-73.1173.6-179.81675.5110.4T266 R267 E268R255-T266 HydrophobicContact CB-CG2 4.18Å; R255-T266 HydrophobicContact CG-CG2 4.36Å; R255-R267 CarbonylContact C-O 3.3Å; R255-R267 WeakPolarHBondContact CA-O 3.44Å; R255-E268 HydrophobicContact CG-CG 3.69Å; R255-E268 IonicContact CZ-OE1 3.33Å; R255-E268 IonicContact NE-OE1 2.75Å; R255-E268 PolarHBondContact NE-OE1 2.79Å; R255-E268 IonicContact NH2-OE1 3.03Å; R255-E268 PolarHBondContact NH2-OE1 3.28Å
256R89.8Confident90.4Very high105 Ų10583.4 Ų83.440%0.39643%0.427SS..EExtended strand (participates in β ladder)trans-129.4119.7168.8-75.9-173.4170.7155.2-3.2109.4R267 Y269R256-R267 PolarHBondContact N-O 2.99Å; R256-R267 PolarHBondContact O-N 2.75Å; R256-Y269 HydrophobicContact CB-CE2 4.14Å
257S90.7Very high90.6Very high77 Ų7786.5 Ų86.554%0.53844%0.438SS..EExtended strand (participates in β ladder)trans-91.3127.6173.7-53.70000109.5I265 T266S257-I265 WeakPolarHBondContact CA-O 3.4Å; S257-T266 PolarHBondContact OG-OG1 2.64Å
258Q85.6Confident90.7Very high80 Ų8088.6 Ų88.637%0.37445%0.448SS..EExtended strand (participates in β ladder)trans-120.3134.8175.9-67.1177.47.300108.6I265Q258-I265 PolarHBondContact N-O 2.81Å; Q258-I265 PolarHBondContact O-N 3.23Å
259T86.3Confident90.9Very high114 Ų11483.5 Ų83.570%0.69943%0.429SS*.EExtended strand (participates in β ladder)trans-86.3112.317349.40000109V264T259-V264 HydrophobicContact CG2-CG2 4.17Å
260V86.5Confident90.9Very high81 Ų8183.4 Ų83.449%0.49143%0.428SS..EExtended strand (participates in β ladder)trans-112.9103.5173.4-177.50000107.3N262 E263 I265V260-N262 PolarHBondContact O-N 3.31Å; V260-E263 PolarHBondContact N-O 2.77Å; V260-E263 PolarHBondContact O-N 3.22Å; V260-I265 HydrophobicContact CB-CD1 4.19Å; V260-I265 HydrophobicContact CG2-CD1 4.14Å
261G90.6Very high91.1Very high73 Ų7382.6 Ų82.675%0.75342%0.423SS*.THydrogen-bonded Turntrans63.9-123.9-170.600000111.3
262N89.1Confident91.2Very high176 Ų17680.1 Ų80.194%0.94141%0.412SS*.THydrogen-bonded Turntrans-92.4-4178.4-71.9-5.3000113.7V260V260-N262 PolarHBondContact O-N 3.31Å
263E90.2Very high91.3Very high140 Ų14077.6 Ų77.665%0.65440%0.4SS*.EExtended strand (participates in β ladder)trans-103.8134.9-175.6-65.4-177.3176.100111.5V260V260-E263 PolarHBondContact N-O 2.77Å; V260-E263 PolarHBondContact O-N 3.22Å
264V89.1Confident91.5Very high97 Ų9774.7 Ų74.759%0.58839%0.387SS*.EExtended strand (participates in β ladder)trans-93.5103.9173.2-176.60000108.4T259T259-V264 HydrophobicContact CG2-CG2 4.17Å
265I89.9Confident91.6Very high60 Ų6069.4 Ų69.431%0.30837%0.367SS..EExtended strand (participates in β ladder)trans-94120.1177.9-56.8174.8000108.3S257 Q258 V260 R267S257-I265 WeakPolarHBondContact CA-O 3.4Å; Q258-I265 PolarHBondContact N-O 2.81Å; Q258-I265 PolarHBondContact O-N 3.23Å; V260-I265 HydrophobicContact CB-CD1 4.19Å; V260-I265 HydrophobicContact CG2-CD1 4.14Å; I265-R267 HydrophobicContact CG2-CG 4.31Å
266T92.6Very high91.8Very high74 Ų7461 Ų6145%0.45434%0.335SS..EExtended strand (participates in β ladder)trans-98.9120.9174.5-580000109.8R255 S257R255-T266 HydrophobicContact CB-CG2 4.18Å; R255-T266 HydrophobicContact CG-CG2 4.36Å; S257-T266 PolarHBondContact OG-OG1 2.64Å
267R92.6Very high91.9Very high78 Ų7857.8 Ų57.829%0.29432%0.323SS..EExtended strand (participates in β ladder)trans-108.3143.8175.5-66.9-174.9177.5110.71.5110.5D195 R255 R256 I265 Y269D195-R267 HydrophobicContact CB-CB 4.19Å; D195-R267 WeakPolarHBondContact OD2-CD 3.24Å; D195-R267 IonicContact OD2-NE 3.7Å; R255-R267 CarbonylContact C-O 3.3Å; R255-R267 WeakPolarHBondContact CA-O 3.44Å; R256-R267 PolarHBondContact N-O 2.99Å; R256-R267 PolarHBondContact O-N 2.75Å; I265-R267 HydrophobicContact CG2-CG 4.31Å; R267-Y269 HydrophobicContact CB-CE2 3.8Å
268E94.2Very high92Very high58 Ų5854.1 Ų54.127%0.27130%0.298SS..EExtended strand (participates in β ladder)trans-107.3131.7175.4-72.6-173.4165.100110.5D195 R196 R255D195-E268 WeakPolarHBondContact CB-O 3.38Å; R196-E268 HydrophobicContact CB-CB 4.41Å; R196-E268 WeakPolarHBondContact CB-O 3.27Å; R196-E268 PolarHBondContact N-O 3.44Å; R255-E268 HydrophobicContact CG-CG 3.69Å; R255-E268 IonicContact CZ-OE1 3.33Å; R255-E268 IonicContact NE-OE1 2.75Å; R255-E268 PolarHBondContact NE-OE1 2.79Å; R255-E268 IonicContact NH2-OE1 3.03Å; R255-E268 PolarHBondContact NH2-OE1 3.28Å
269Y94.3Very high92.3Very high18 Ų1853.1 Ų53.17%0.07129%0.291CS..EExtended strand (participates in β ladder)trans-112.9123.1177.7-63.9-96.9000109.1Y194 D195 H253 R254 R256 R267Y194-Y269 WeakPolarHBondContact O-CD1 3.27Å; D195-Y269 HydrophobicContact CB-CE1 4.21Å; H253-Y269 WeakPolarHBondContact CA-O 3.33Å; R254-Y269 PolarHBondContact N-O 2.93Å; R254-Y269 PolarHBondContact O-N 3.05Å; R256-Y269 HydrophobicContact CB-CE2 4.14Å; R267-Y269 HydrophobicContact CB-CE2 3.8Å
270P95.1Very high92.6Very high0 Ų048.3 Ų48.30%026%0.26CS..EExtended strand (participates in β ladder)trans-71.9133.5177.629.4-32.3000110.2I201I201-P270 HydrophobicContact CD1-CG 4.44Å; I201-P270 HydrophobicContact CG1-CG 4.17Å
271V95.5Very high92.8Very high6 Ų646.2 Ų46.24%0.03625%0.246CC..EExtended strand (participates in β ladder)trans-132124.5179.4-173.60000109.5Y136 E188 F189 K251 K252 R254 R273Y136-V271 HydrophobicContact CD2-CG1 4.17Å; Y136-V271 HydrophobicContact CD2-CG2 4.05Å; Y136-V271 HydrophobicContact CE2-CG1 4.35Å; Y136-V271 HydrophobicContact CE2-CG2 3.5Å; Y136-V271 VanDerWaalsContact CE2-CG2 3.5Å; E188-V271 HydrophobicContact CB-CG1 4Å; F189-V271 CarbonylContact O-C 3.55Å; F189-V271 WeakPolarHBondContact O-CA 3.46Å; K251-V271 WeakPolarHBondContact CA-O 3.21Å; K252-V271 PolarHBondContact N-O 3.28Å; K252-V271 PolarHBondContact O-N 3.39Å; R254-V271 HydrophobicContact CB-CG2 4.31Å; V271-R273 HydrophobicContact CG1-CG 4.37Å
272L96.2Very high92.8Very high0 Ų043.9 Ų43.90%022%0.217CC..EExtended strand (participates in β ladder)trans-93120.5171-59.4-173000109.5Y76 E188 F189 I201 W203 K251 Y274Y76-L272 HydrophobicContact CD1-CD1 3.93Å; Y76-L272 HydrophobicContact CG-CD1 4.39Å; E188-L272 CarbonylContact C-O 3.54Å; E188-L272 WeakPolarHBondContact CA-O 3.4Å; F189-L272 PolarHBondContact N-O 3.22Å; F189-L272 PolarHBondContact O-N 2.87Å; I201-L272 HydrophobicContact CB-CG 4.44Å; I201-L272 HydrophobicContact CG2-CD1 3.49Å; I201-L272 VanDerWaalsContact CG2-CD1 3.49Å; I201-L272 HydrophobicContact CG2-CG 3.84Å; W203-L272 HydrophobicContact CD2-CD2 4.12Å; W203-L272 HydrophobicContact CE3-CD1 3.84Å; W203-L272 HydrophobicContact CE3-CD2 4.02Å; W203-L272 HydrophobicContact CE3-CG 4.4Å; W203-L272 HydrophobicContact CH2-CB 4.04Å; W203-L272 HydrophobicContact CH2-CD2 3.75Å; W203-L272 HydrophobicContact CH2-CG 4.32Å; W203-L272 HydrophobicContact CZ2-CD2 3.84Å; W203-L272 HydrophobicContact CZ3-CB 3.9Å; W203-L272 HydrophobicContact CZ3-CD1 3.86Å; W203-L272 HydrophobicContact CZ3-CD2 3.83Å; W203-L272 HydrophobicContact CZ3-CG 4.07Å; K251-L272 HydrophobicContact CB-CD2 3.89Å; K251-L272 HydrophobicContact CD-CD2 3.96Å; K251-L272 HydrophobicContact CG-CD2 3.82Å; L272-Y274 HydrophobicContact CB-CE2 4.09Å
273R95.2Very high92.8Very high33 Ų3338.3 Ų38.313%0.12519%0.192CC..EExtended strand (participates in β ladder)trans-104.5103178.4-61.9-178.1160.1-167.1-16.3109.3E188 S249 V250 V271E188-R273 HydrophobicContact CG-CG 4.11Å; E188-R273 IonicContact OE1-CZ 3.23Å; E188-R273 IonicContact OE1-NE 2.95Å; E188-R273 PolarHBondContact OE1-NE 2.9Å; E188-R273 IonicContact OE1-NH2 2.64Å; E188-R273 PolarHBondContact OE1-NH2 3.07Å; S249-R273 WeakPolarHBondContact CA-O 3.48Å; S249-R273 VanDerWaalsContact CB-O 3.25Å; S249-R273 WeakPolarHBondContact CB-O 3.5Å; V250-R273 PolarHBondContact N-O 2.92Å; V250-R273 WeakPolarHBondContact O-CB 3.28Å; V250-R273 PolarHBondContact O-N 3.49Å; V271-R273 HydrophobicContact CG1-CG 4.37Å
274Y95.7Very high92.8Very high0 Ų037.9 Ų37.90%019%0.188CC..EExtended strand (participates in β ladder)trans-82.3125.6172.4-69.8-88.9000109.9Y76 G77 L78 M186 L187 F189 W203 L217 S249 L272Y76-Y274 AromaticContact CD1-CE2 3.89Å; Y76-Y274 HydrophobicContact CD1-CE2 3.89Å; Y76-Y274 AromaticContact CE1-CE2 3.72Å; Y76-Y274 HydrophobicContact CE1-CE2 3.72Å; Y76-Y274 PolarHBondContact O-OH 3.23Å; G77-Y274 WeakPolarHBondContact CA-OH 3.35Å; L78-Y274 HydrophobicContact CB-CD1 4.13Å; L78-Y274 HydrophobicContact CB-CD2 4.15Å; L78-Y274 HydrophobicContact CB-CE1 3.88Å; L78-Y274 HydrophobicContact CB-CE2 3.89Å; L78-Y274 HydrophobicContact CB-CG 4.25Å; L78-Y274 HydrophobicContact CD2-CD2 3.96Å; L78-Y274 HydrophobicContact CD2-CE2 4.47Å; L78-Y274 HydrophobicContact CD2-CG 3.96Å; M186-Y274 CarbonylContact C-O 3.58Å; M186-Y274 VanDerWaalsContact CA-O 3.26Å; M186-Y274 WeakPolarHBondContact CA-O 3.36Å; L187-Y274 PolarHBondContact N-O 3.43Å; L187-Y274 PolarHBondContact O-N 3.45Å; F189-Y274 AromaticContact CD2-CD2 3.8Å; F189-Y274 HydrophobicContact CD2-CD2 3.8Å; F189-Y274 HydrophobicContact CD2-CE2 4.09Å; F189-Y274 HydrophobicContact CE2-CD2 4.18Å; W203-Y274 HydrophobicContact CZ3-CE1 4.05Å; W203-Y274 HydrophobicContact CZ3-CE2 4.29Å; W203-Y274 AromaticContact CZ3-CZ 3.82Å; L217-Y274 HydrophobicContact CB-CD1 4.47Å; L217-Y274 HydrophobicContact CD1-CD1 4.34Å; S249-Y274 WeakPolarHBondContact OG-CD1 3.41Å; L272-Y274 HydrophobicContact CB-CE2 4.09Å
275L94Very high92.9Very high5 Ų535.4 Ų35.43%0.02617%0.169CC..EExtended strand (participates in β ladder)trans-105.2132.9179.6-66.2168.9000110.1I184 M186 I247 F606I184-L275 HydrophobicContact CG2-CD2 4.33Å; M186-L275 HydrophobicContact CB-CD2 3.85Å; I247-L275 HydrophobicContact CB-CB 4.14Å; I247-L275 HydrophobicContact CG2-CB 3.75Å; I247-L275 HydrophobicContact CG2-CD1 3.63Å; I247-L275 HydrophobicContact CG2-CG 4.33Å; L275-F606 HydrophobicContact CD1-CB 4.18Å; L275-F606 HydrophobicContact CD1-CD1 4.12Å; L275-F606 HydrophobicContact CD1-CG 4.46Å; L275-F606 HydrophobicContact CD2-CD1 3.57Å; L275-F606 HydrophobicContact CD2-CE1 3.75Å; L275-F606 HydrophobicContact CD2-CG 4.4Å
276I93.6Very high92.9Very high5 Ų534.4 Ų34.43%0.02617%0.165CC..EExtended strand (participates in β ladder)trans-127.8119.8-178.8-46.8-177.9000108.3L80 C185 L187 L217 L278L80-I276 HydrophobicContact CD2-CD1 4.48Å; C185-I276 PolarHBondContact N-O 3.48Å; C185-I276 PolarHBondContact O-N 3.41Å; L187-I276 HydrophobicContact CD1-CD1 3.82Å; L217-I276 HydrophobicContact CD2-CD1 3.49Å; L217-I276 VanDerWaalsContact CD2-CD1 3.49Å; L217-I276 HydrophobicContact CD2-CG1 3.78Å; I276-L278 HydrophobicContact CG2-CD2 3.62Å; I276-L278 HydrophobicContact CG2-CG 4.31Å
277R92.8Very high92.8Very high38 Ų3837.3 Ų37.314%0.14317%0.172CC..EExtended strand (participates in β ladder)trans-92117.9172-167.8-177.9-68.8146.2-13.8110T182 Q183 I184 D231 I247T182-R277 HydrophobicContact CG2-CG 3.36Å; Q183-R277 CarbonylContact O-C 3.58Å; Q183-R277 WeakPolarHBondContact O-CA 3.08Å; I184-R277 HydrophobicContact CG1-CG 4.45Å; D231-R277 WeakPolarHBondContact OD2-CB 3.38Å; D231-R277 WeakPolarHBondContact OD2-CD 3.45Å; D231-R277 IonicContact OD2-CZ 3.81Å; D231-R277 IonicContact OD2-NE 3.01Å; D231-R277 IonicContact OD2-NH1 3.22Å; D231-R277 PolarHBondContact OD2-NH1 3.5Å; I247-R277 HydrophobicContact CD1-CB 3.92Å; I247-R277 HydrophobicContact CG1-CB 4.48Å
278L93.7Very high92.7Very high0 Ų038.9 Ų38.90%018%0.184CC..EExtended strand (participates in β ladder)trans-108.6122.9177.8-52.5-179.1000109.2I83 L86 L93 T182 Q183 W228 T230 I276I83-L278 HydrophobicContact CD1-CD2 3.35Å; L86-L278 HydrophobicContact CD2-CD1 4.21Å; L93-L278 HydrophobicContact CD1-CD1 3.82Å; T182-L278 CarbonylContact C-O 3.54Å; T182-L278 WeakPolarHBondContact CA-O 3.43Å; Q183-L278 HydrophobicContact CB-CB 4.27Å; Q183-L278 PolarHBondContact N-O 3.31Å; Q183-L278 PolarHBondContact O-N 3.5Å; W228-L278 HydrophobicContact CD2-CB 4.31Å; W228-L278 HydrophobicContact CE3-CB 3.73Å; W228-L278 HydrophobicContact CZ3-CB 4.3Å; T230-L278 HydrophobicContact CG2-CD2 3.53Å; I276-L278 HydrophobicContact CG2-CD2 3.62Å; I276-L278 HydrophobicContact CG2-CG 4.31Å
279R92Very high92.4Very high60 Ų6036.9 Ų36.923%0.22618%0.175CC..EExtended strand (participates in β ladder)trans-106.8126.1173.8-64-165.7-177103.4-0109.4T182 W228 R229 D231T182-R279 HydrophobicContact CG2-CG 4.02Å; W228-R279 WeakPolarHBondContact CA-O 3.3Å; R229-R279 HydrophobicContact CB-CB 4.48Å; R229-R279 PolarHBondContact N-O 2.84Å; R229-R279 PolarHBondContact O-N 2.9Å; D231-R279 IonicContact OD1-CZ 2.68Å; D231-R279 IonicContact OD1-NH1 3.29Å; D231-R279 PolarHBondContact OD1-NH1 3.36Å; D231-R279 IonicContact OD1-NH2 2.67Å; D231-R279 PolarHBondContact OD1-NH2 3.09Å
280R91.3Very high92.1Very high13 Ų1338.1 Ų38.15%0.04918%0.184CC..EExtended strand (participates in β ladder)trans-64144.1177.7-169.6177.8-60.2-86.70.7110.3E88 D181 E227 W228 P282 Y285E88-R280 IonicContact OE1-CZ 2.68Å; E88-R280 VanDerWaalsContact OE1-CZ 3.26Å; E88-R280 IonicContact OE1-NH1 2.75Å; E88-R280 PolarHBondContact OE1-NH1 2.88Å; E88-R280 IonicContact OE1-NH2 2.8Å; E88-R280 PolarHBondContact OE1-NH2 2.9Å; D181-R280 PolarHBondContact O-N 2.88Å; D181-R280 WeakPolarHBondContact OD1-CD 3.38Å; D181-R280 IonicContact OD1-NE 3.53Å; D181-R280 PolarHBondContact OD1-NE 2.67Å; D181-R280 IonicContact OD2-CZ 3.11Å; D181-R280 IonicContact OD2-NE 3.35Å; D181-R280 PolarHBondContact OD2-NE 2.97Å; D181-R280 VanDerWaalsContact OD2-NE 3.09Å; D181-R280 IonicContact OD2-NH2 2.7Å; D181-R280 PolarHBondContact OD2-NH2 2.89Å; D181-R280 VanDerWaalsContact OD2-NH2 3.16Å; E227-R280 CarbonylContact O-C 3.47Å; W228-R280 HydrophobicContact CE3-CB 4.24Å; W228-R280 HydrophobicContact CH2-CB 4.35Å; W228-R280 VanDerWaalsContact CH2-CZ 3.47Å; W228-R280 VanDerWaalsContact CH2-NH2 3.26Å; W228-R280 HydrophobicContact CZ3-CB 3.83Å; W228-R280 HydrophobicContact CZ3-CG 4.48Å; R280-P282 WeakPolarHBondContact O-CD 3.33Å; R280-Y285 HydrophobicContact CG-CE2 4.1Å
281N91.2Very high91.8Very high37 Ų3741.5 Ų41.520%0.19820%0.202CC..  trans-81.5105.7169.1-17512.7000109.5N226 E227 R229 S283N226-N281 PolarHBondContact O-ND2 3.46Å; E227-N281 WeakPolarHBondContact O-CB 3.39Å; E227-N281 PolarHBondContact O-N 3.25Å; R229-N281 VanDerWaalsContact CZ-OD1 3.31Å; R229-N281 VanDerWaalsContact NH1-CG 3.31Å; R229-N281 PolarHBondContact NH1-OD1 2.78Å; R229-N281 PolarHBondContact NH2-OD1 3.42Å; N281-S283 VanDerWaalsContact C-N 3.31Å; N281-S283 PolarHBondContact O-N 3.07Å; N281-S283 PolarHBondContact OD1-OG 3.48Å
282P89.8Confident91.7Very high24 Ų2443.3 Ų43.316%0.15621%0.213CC..  trans-79.5-13.7-168.533.5-37.2000112.9P179 F180 R280 F284 Y285 V286P179-P282 HydrophobicContact CB-CB 4.34Å; P179-P282 HydrophobicContact CG-CB 4.2Å; F180-P282 HydrophobicContact CD1-CB 3.72Å; F180-P282 HydrophobicContact CD1-CG 3.8Å; F180-P282 HydrophobicContact CE1-CB 3.61Å; F180-P282 HydrophobicContact CE1-CG 3.65Å; F180-P282 HydrophobicContact CZ-CB 4.33Å; R280-P282 WeakPolarHBondContact O-CD 3.33Å; P282-F284 PolarHBondContact O-N 2.91Å; P282-Y285 PolarHBondContact O-N 3.16Å; P282-V286 HydrophobicContact CB-CG2 4.16Å; P282-V286 WeakPolarHBondContact O-CG2 3.21Å; P282-V286 PolarHBondContact O-N 2.95Å
283S89.2Confident91.4Very high58 Ų5843.5 Ų43.541%0.40622%0.215SC..Hα-helixtrans-51.5-50.2-167-56.60000113.1N281 Y285 V286 F287N281-S283 VanDerWaalsContact C-N 3.31Å; N281-S283 PolarHBondContact O-N 3.07Å; N281-S283 PolarHBondContact OD1-OG 3.48Å; S283-Y285 PolarHBondContact O-N 3.23Å; S283-V286 PolarHBondContact O-N 2.78Å; S283-F287 WeakPolarHBondContact O-CD2 3.27Å; S283-F287 PolarHBondContact O-N 3.12Å; S283-F287 VanDerWaalsContact O-N 3.12Å
284F91.4Very high91Very high132 Ų13246.3 Ų46.358%0.57924%0.235SC*.Hα-helixtrans-60.9-45.9-180177-101.4000112.3P282 V286 F287 M288P282-F284 PolarHBondContact O-N 2.91Å; F284-V286 VanDerWaalsContact C-N 3.35Å; F284-V286 PolarHBondContact O-N 3.02Å; F284-F287 PolarHBondContact O-N 3.25Å; F284-M288 HydrophobicContact CD2-CG 4.15Å; F284-M288 HydrophobicContact CE1-CG 4.33Å; F284-M288 HydrophobicContact CE2-CE 4.14Å; F284-M288 HydrophobicContact CE2-CG 3.75Å; F284-M288 HydrophobicContact CZ-CG 3.86Å; F284-M288 WeakPolarHBondContact O-CB 3.49Å; F284-M288 WeakPolarHBondContact O-CG 3.45Å; F284-M288 PolarHBondContact O-N 3.36Å
285Y90.7Very high90.7Very high45 Ų4551.2 Ų51.218%0.17626%0.261CS..Hα-helixtrans-66.9-35.1178.8-57.3-78.1000112.4F178 P179 R280 P282 S283 L289 V290F178-Y285 HydrophobicContact CE1-CD1 4.15Å; F178-Y285 HydrophobicContact CE2-CD1 4.29Å; F178-Y285 HydrophobicContact CE2-CE1 4.13Å; F178-Y285 AromaticContact CZ-CD1 3.46Å; F178-Y285 HydrophobicContact CZ-CD1 3.46Å; F178-Y285 VanDerWaalsContact CZ-CD1 3.46Å; F178-Y285 AromaticContact CZ-CE1 3.58Å; F178-Y285 HydrophobicContact CZ-CE1 3.58Å; F178-Y285 HydrophobicContact CZ-CG 4.04Å; P179-Y285 VanDerWaalsContact CB-CB 3.49Å; P179-Y285 HydrophobicContact CB-CD2 3.97Å; P179-Y285 HydrophobicContact CB-CG 3.82Å; R280-Y285 HydrophobicContact CG-CE2 4.1Å; P282-Y285 PolarHBondContact O-N 3.16Å; S283-Y285 PolarHBondContact O-N 3.23Å; Y285-L289 HydrophobicContact CD1-CD1 4.11Å; Y285-L289 WeakPolarHBondContact O-CA 3.24Å; Y285-L289 VanDerWaalsContact O-CB 3.32Å; Y285-L289 WeakPolarHBondContact O-CB 3.21Å; Y285-L289 PolarHBondContact O-N 3Å; Y285-V290 PolarHBondContact O-N 2.98Å
286V89.5Confident90.6Very high39 Ų3952.2 Ų52.224%0.23627%0.266CS..Iπ-helixtrans-62.2-46.4174.6171.40000110.4F180 P282 S283 F284 V290 I291F180-V286 HydrophobicContact CE1-CG2 4.39Å; F180-V286 HydrophobicContact CZ-CG2 3.88Å; P282-V286 HydrophobicContact CB-CG2 4.16Å; P282-V286 WeakPolarHBondContact O-CG2 3.21Å; P282-V286 PolarHBondContact O-N 2.95Å; S283-V286 PolarHBondContact O-N 2.78Å; F284-V286 VanDerWaalsContact C-N 3.35Å; F284-V286 PolarHBondContact O-N 3.02Å; V286-V290 HydrophobicContact CG1-CB 4.49Å; V286-V290 HydrophobicContact CG2-CG2 4.44Å; V286-V290 WeakPolarHBondContact O-CB 3.42Å; V286-V290 PolarHBondContact O-N 3.46Å; V286-I291 WeakPolarHBondContact O-CG1 3.49Å; V286-I291 PolarHBondContact O-N 2.83Å
287F91.5Very high90.3Very high134 Ų13452.6 Ų52.659%0.58827%0.27SS*.Iπ-helixtrans-70-39.5179.2-74.6-69.9000113.6S283 F284 I291 P292S283-F287 WeakPolarHBondContact O-CD2 3.27Å; S283-F287 PolarHBondContact O-N 3.12Å; S283-F287 VanDerWaalsContact O-N 3.12Å; F284-F287 PolarHBondContact O-N 3.25Å; F287-I291 HydrophobicContact CD1-CD1 3.53Å; F287-I291 HydrophobicContact CE1-CD1 3.93Å; F287-I291 HydrophobicContact CG-CD1 4.39Å; F287-P292 WeakPolarHBondContact O-CD 3.48Å
288M89.5Confident90.1Very high112 Ų11253.6 Ų53.655%0.55228%0.282SS*.Iπ-helixtrans-91.8-26.2-172.5-65.6-60.1178.900114.6F284 P292F284-M288 HydrophobicContact CD2-CG 4.15Å; F284-M288 HydrophobicContact CE1-CG 4.33Å; F284-M288 HydrophobicContact CE2-CE 4.14Å; F284-M288 HydrophobicContact CE2-CG 3.75Å; F284-M288 HydrophobicContact CZ-CG 3.86Å; F284-M288 WeakPolarHBondContact O-CB 3.49Å; F284-M288 WeakPolarHBondContact O-CG 3.45Å; F284-M288 PolarHBondContact O-N 3.36Å; M288-P292 WeakPolarHBondContact O-CG 3.49Å
289L89.3Confident89.9Confident15 Ų1557.2 Ų57.28%0.07930%0.301CS..Iπ-helixtrans-114.7-51.4-178.2-61.9174.2000112F178 Y285 C293 L330 L331F178-L289 HydrophobicContact CE1-CD1 4.03Å; Y285-L289 HydrophobicContact CD1-CD1 4.11Å; Y285-L289 WeakPolarHBondContact O-CA 3.24Å; Y285-L289 VanDerWaalsContact O-CB 3.32Å; Y285-L289 WeakPolarHBondContact O-CB 3.21Å; Y285-L289 PolarHBondContact O-N 3Å; L289-C293 VanDerWaalsContact O-CB 3.23Å; L289-C293 WeakPolarHBondContact O-CB 3.39Å; L289-C293 PolarHBondContact O-N 3.28Å; L289-L330 HydrophobicContact CD2-CB 4.08Å; L289-L331 HydrophobicContact CD1-CD1 4.3Å
290V87.2Confident89.7Confident45 Ų4554.4 Ų54.427%0.27329%0.291SS..Iπ-helixtrans-70.7-48.8-172-177.50000111.7Y285 V286 C293 V294Y285-V290 PolarHBondContact O-N 2.98Å; V286-V290 HydrophobicContact CG1-CB 4.49Å; V286-V290 HydrophobicContact CG2-CG2 4.44Å; V286-V290 WeakPolarHBondContact O-CB 3.42Å; V286-V290 PolarHBondContact O-N 3.46Å; V290-C293 WeakPolarHBondContact O-CB 3.38Å; V290-C293 PolarHBondContact O-N 3.48Å; V290-V294 HydrophobicContact CG1-CG2 4.4Å; V290-V294 WeakPolarHBondContact O-CG2 3.48Å; V290-V294 PolarHBondContact O-N 2.9Å
291I89.6Confident89.4Confident71 Ų7156.8 Ų56.836%0.36430%0.304SS..Hα-helixtrans-61.1-51.1-178.9-69.7176.9000112.3V286 F287 C293 V294 L295V286-I291 WeakPolarHBondContact O-CG1 3.49Å; V286-I291 PolarHBondContact O-N 2.83Å; F287-I291 HydrophobicContact CD1-CD1 3.53Å; F287-I291 HydrophobicContact CE1-CD1 3.93Å; F287-I291 HydrophobicContact CG-CD1 4.39Å; I291-C293 PolarHBondContact O-N 3.42Å; I291-V294 PolarHBondContact O-N 3.47Å; I291-V294 VanDerWaalsContact O-N 3.13Å; I291-L295 HydrophobicContact CG2-CD1 4.12Å; I291-L295 HydrophobicContact CG2-CG 4.49Å; I291-L295 WeakPolarHBondContact O-CG 3.44Å; I291-L295 PolarHBondContact O-N 3.32Å
292P92.2Very high89.2Confident43 Ų4358.2 Ų58.228%0.27931%0.314SS..Hα-helixtrans-58.8-36.5176.7-27.137.4000112.5F287 M288 L295 L296 L327F287-P292 WeakPolarHBondContact O-CD 3.48Å; M288-P292 WeakPolarHBondContact O-CG 3.49Å; P292-L295 PolarHBondContact O-N 2.95Å; P292-L296 WeakPolarHBondContact O-CG 3.3Å; P292-L296 PolarHBondContact O-N 3.1Å; P292-L327 HydrophobicContact CB-CD1 4.44Å; P292-L327 HydrophobicContact CB-CD2 4.32Å
293C89.1Confident89Confident4 Ų457.4 Ų57.43%0.02731%0.309CS..Hα-helixtrans-65-43.2175.3179.40000112.7L289 V290 I291 L295 L296 S297 L327 F348 F349L289-C293 VanDerWaalsContact O-CB 3.23Å; L289-C293 WeakPolarHBondContact O-CB 3.39Å; L289-C293 PolarHBondContact O-N 3.28Å; V290-C293 WeakPolarHBondContact O-CB 3.38Å; V290-C293 PolarHBondContact O-N 3.48Å; I291-C293 PolarHBondContact O-N 3.42Å; C293-L295 VanDerWaalsContact C-N 3.28Å; C293-L295 PolarHBondContact O-N 3.04Å; C293-L296 PolarHBondContact O-N 3.35Å; C293-S297 VanDerWaalsContact O-CB 3.29Å; C293-S297 WeakPolarHBondContact O-CB 3.47Å; C293-S297 PolarHBondContact O-N 3.01Å; C293-S297 PolarHBondContact O-OG 2.88Å; C293-L327 HydrophobicContact CB-CD1 4.23Å; C293-F348 WeakPolarHBondContact SG-CE1 3.32Å; C293-F349 HydrophobicContact CB-CE1 3.81Å; C293-F349 HydrophobicContact CB-CZ 4.24Å; C293-F349 WeakPolarHBondContact SG-CE1 3.33Å
294V87.4Confident88.9Confident92 Ų9255.2 Ų55.256%0.55829%0.292SS*.Hα-helixtrans-60.5-41.3174.8171.60000110.5V290 I291 S297 S298V290-V294 HydrophobicContact CG1-CG2 4.4Å; V290-V294 WeakPolarHBondContact O-CG2 3.48Å; V290-V294 PolarHBondContact O-N 2.9Å; I291-V294 PolarHBondContact O-N 3.47Å; I291-V294 VanDerWaalsContact O-N 3.13Å; V294-S297 PolarHBondContact O-N 3.4Å; V294-S298 PolarHBondContact O-N 3.46Å
295L90.9Very high88.5Confident103 Ų10359.3 Ų59.354%0.53930%0.303SS..Hα-helixtrans-65.4-45.9176.6-65.9173.8000112I291 P292 C293 S297 S298 L299I291-L295 HydrophobicContact CG2-CD1 4.12Å; I291-L295 HydrophobicContact CG2-CG 4.49Å; I291-L295 WeakPolarHBondContact O-CG 3.44Å; I291-L295 PolarHBondContact O-N 3.32Å; P292-L295 PolarHBondContact O-N 2.95Å; C293-L295 VanDerWaalsContact C-N 3.28Å; C293-L295 PolarHBondContact O-N 3.04Å; L295-S297 VanDerWaalsContact C-N 3.34Å; L295-S297 PolarHBondContact O-N 2.99Å; L295-S298 WeakPolarHBondContact O-CB 3.33Å; L295-S298 PolarHBondContact O-N 3.43Å; L295-S298 VanDerWaalsContact O-N 3.14Å; L295-S298 PolarHBondContact O-OG 3.38Å; L295-L299 PolarHBondContact O-N 3.21Å
296L91.5Very high88.3Confident26 Ų2659.4 Ų59.414%0.13631%0.307CS..Hα-helixtrans-63-40.7174.9-71.6-179.3000111.9P292 C293 S298 L299 T300 A323 F324 L327P292-L296 WeakPolarHBondContact O-CG 3.3Å; P292-L296 PolarHBondContact O-N 3.1Å; C293-L296 PolarHBondContact O-N 3.35Å; L296-S298 PolarHBondContact O-N 2.97Å; L296-L299 HydrophobicContact CD2-CD1 4.31Å; L296-L299 WeakPolarHBondContact O-CB 3.49Å; L296-L299 PolarHBondContact O-N 3.09Å; L296-T300 WeakPolarHBondContact O-CG2 3.1Å; L296-T300 PolarHBondContact O-N 2.97Å; L296-A323 HydrophobicContact CD1-CB 3.68Å; L296-A323 HydrophobicContact CD2-CB 3.86Å; L296-A323 HydrophobicContact CG-CB 4.46Å; L296-F324 HydrophobicContact CB-CE1 4.2Å; L296-F324 HydrophobicContact CB-CE2 3.89Å; L296-F324 HydrophobicContact CB-CZ 3.68Å; L296-F324 HydrophobicContact CD1-CD1 4.4Å; L296-F324 HydrophobicContact CD1-CE1 4.47Å; L296-F324 HydrophobicContact CD1-CG 4.42Å; L296-L327 HydrophobicContact CD1-CD1 3.49Å; L296-L327 VanDerWaalsContact CD1-CD1 3.49Å; L296-L327 HydrophobicContact CD1-CG 4.35Å
297S87.5Confident87.9Confident14 Ų1461 Ų6110%0.09832%0.318CS..Hα-helixtrans-61.5-34.9174.5-57.30000111C293 V294 L295 T300C293-S297 VanDerWaalsContact O-CB 3.29Å; C293-S297 WeakPolarHBondContact O-CB 3.47Å; C293-S297 PolarHBondContact O-N 3.01Å; C293-S297 PolarHBondContact O-OG 2.88Å; V294-S297 PolarHBondContact O-N 3.4Å; L295-S297 VanDerWaalsContact C-N 3.34Å; L295-S297 PolarHBondContact O-N 2.99Å; S297-T300 PolarHBondContact O-N 3.41Å; S297-T300 PolarHBondContact O-OG1 2.75Å
298S87.4Confident87.1Confident58 Ų5855 Ų5541%0.40629%0.293SS..Hα-helixtrans-66.9-38.3171.982.70000112.9V294 L295 L296 T300 L301V294-S298 PolarHBondContact O-N 3.46Å; L295-S298 WeakPolarHBondContact O-CB 3.33Å; L295-S298 PolarHBondContact O-N 3.43Å; L295-S298 VanDerWaalsContact O-N 3.14Å; L295-S298 PolarHBondContact O-OG 3.38Å; L296-S298 PolarHBondContact O-N 2.97Å; S298-T300 PolarHBondContact O-N 3.2Å; S298-L301 WeakPolarHBondContact O-CB 3.17Å; S298-L301 PolarHBondContact O-N 3.3Å
299L90.1Very high86.5Confident77 Ų7754.2 Ų54.240%0.40329%0.288SS..Hα-helixtrans-68.2-32.6177.6-69.5176.6000112.8L295 L296 L301 V302 V303 I320L295-L299 PolarHBondContact O-N 3.21Å; L296-L299 HydrophobicContact CD2-CD1 4.31Å; L296-L299 WeakPolarHBondContact O-CB 3.49Å; L296-L299 PolarHBondContact O-N 3.09Å; L299-L301 PolarHBondContact O-N 2.96Å; L299-V302 WeakPolarHBondContact O-CA 3.32Å; L299-V302 VanDerWaalsContact O-CB 3.27Å; L299-V302 WeakPolarHBondContact O-CB 3.49Å; L299-V302 PolarHBondContact O-N 3.39Å; L299-V303 PolarHBondContact O-N 2.94Å; L299-V303 VanDerWaalsContact O-N 3.13Å; L299-I320 HydrophobicContact CB-CD1 3.83Å
300T86.5Confident86.2Confident1 Ų155 Ų551%0.00629%0.294CS..Hα-helixtrans-62-32.8173.660.10000112.6L296 S297 S298 V302 V303 F304 I320 F324 I356 Y582L296-T300 WeakPolarHBondContact O-CG2 3.1Å; L296-T300 PolarHBondContact O-N 2.97Å; S297-T300 PolarHBondContact O-N 3.41Å; S297-T300 PolarHBondContact O-OG1 2.75Å; S298-T300 PolarHBondContact O-N 3.2Å; T300-V302 PolarHBondContact O-N 2.88Å; T300-V303 WeakPolarHBondContact O-CB 3.11Å; T300-V303 PolarHBondContact O-N 3.28Å; T300-V303 VanDerWaalsContact O-N 3.12Å; T300-F304 WeakPolarHBondContact O-CD2 3.37Å; T300-F304 PolarHBondContact O-N 2.93Å; T300-I320 HydrophobicContact CG2-CG2 3.71Å; T300-F324 HydrophobicContact CG2-CE2 3.84Å; T300-I356 HydrophobicContact CG2-CD1 3.71Å; T300-I356 HydrophobicContact CG2-CG1 4Å; T300-Y582 WeakPolarHBondContact CB-OH 3.4Å; T300-Y582 WeakPolarHBondContact OG1-CE1 3.46Å; T300-Y582 PolarHBondContact OG1-OH 2.93Å
301L85.6Confident86.1Confident62 Ų6257.7 Ų57.733%0.32531%0.313SS..Hα-helixtrans-62.7-35.4172.9-61.8173.2000111S298 L299 V303 F304 W305 F579 Y582 I583 I586S298-L301 WeakPolarHBondContact O-CB 3.17Å; S298-L301 PolarHBondContact O-N 3.3Å; L299-L301 PolarHBondContact O-N 2.96Å; L301-V303 VanDerWaalsContact C-N 3.35Å; L301-F304 PolarHBondContact O-N 3.36Å; L301-W305 PolarHBondContact O-N 3.46Å; L301-W305 VanDerWaalsContact O-N 3.13Å; L301-F579 HydrophobicContact CD2-CD2 4.49Å; L301-F579 HydrophobicContact CD2-CE2 3.89Å; L301-Y582 HydrophobicContact CD2-CD1 3.81Å; L301-Y582 HydrophobicContact CD2-CE1 3.8Å; L301-Y582 HydrophobicContact CG-CE1 4.37Å; L301-I583 HydrophobicContact CD2-CG1 4.16Å; L301-I586 HydrophobicContact CD2-CD1 4.18Å
302V87.3Confident86Confident68 Ų6856.7 Ų56.741%0.41232%0.315SS..Hα-helixtrans-66.3-35.9174.5-175.60000111.4L299 T300 F304 W305 L306L299-V302 WeakPolarHBondContact O-CA 3.32Å; L299-V302 VanDerWaalsContact O-CB 3.27Å; L299-V302 WeakPolarHBondContact O-CB 3.49Å; L299-V302 PolarHBondContact O-N 3.39Å; T300-V302 PolarHBondContact O-N 2.88Å; V302-F304 VanDerWaalsContact C-N 3.33Å; V302-F304 PolarHBondContact O-N 3.05Å; V302-W305 PolarHBondContact O-N 3.21Å; V302-W305 VanDerWaalsContact O-N 3.12Å; V302-L306 PolarHBondContact O-N 3.35Å
303V86.5Confident85.8Confident7 Ų754.9 Ų54.94%0.04230%0.303CS..Hα-helixtrans-59.8-43.1175.4177.20000111.6L299 T300 L301 W305 L306 K313 L316 I320L299-V303 PolarHBondContact O-N 2.94Å; L299-V303 VanDerWaalsContact O-N 3.13Å; T300-V303 WeakPolarHBondContact O-CB 3.11Å; T300-V303 PolarHBondContact O-N 3.28Å; T300-V303 VanDerWaalsContact O-N 3.12Å; L301-V303 VanDerWaalsContact C-N 3.35Å; V303-W305 VanDerWaalsContact C-N 3.29Å; V303-L306 PolarHBondContact O-N 3.48Å; V303-K313 HydrophobicContact CG1-CG 4.09Å; V303-K313 VanDerWaalsContact O-CE 3.27Å; V303-K313 WeakPolarHBondContact O-CE 3.47Å; V303-L316 HydrophobicContact CG2-CB 4.42Å; V303-L316 HydrophobicContact CG2-CD2 3.63Å; V303-L316 HydrophobicContact CG2-CG 3.71Å; V303-I320 HydrophobicContact CG2-CD1 3.54Å
304F85.3Confident85.6Confident12 Ų1258.2 Ų58.25%0.05332%0.319CS..Hα-helixtrans-73.1-21.6176.7-69.9-67.3000113.3T300 L301 V302 S359 F578 F579 Y582T300-F304 WeakPolarHBondContact O-CD2 3.37Å; T300-F304 PolarHBondContact O-N 2.93Å; L301-F304 PolarHBondContact O-N 3.36Å; V302-F304 VanDerWaalsContact C-N 3.33Å; V302-F304 PolarHBondContact O-N 3.05Å; F304-S359 WeakPolarHBondContact CE1-OG 3.33Å; F304-F578 HydrophobicContact CD1-CB 4.36Å; F304-F578 HydrophobicContact CE1-CB 3.73Å; F304-F579 HydrophobicContact CB-CB 4.03Å; F304-F579 HydrophobicContact CB-CD2 3.5Å; F304-F579 HydrophobicContact CB-CE2 4.37Å; F304-F579 HydrophobicContact CB-CG 4.19Å; F304-F579 HydrophobicContact CD1-CB 4.4Å; F304-F579 HydrophobicContact CD2-CD2 4.28Å; F304-F579 HydrophobicContact CG-CB 4.23Å; F304-F579 HydrophobicContact CG-CD2 4.06Å; F304-Y582 AromaticContact CD2-CD1 3.73Å; F304-Y582 HydrophobicContact CD2-CD1 3.73Å; F304-Y582 HydrophobicContact CD2-CE1 4.31Å; F304-Y582 HydrophobicContact CD2-CG 4.15Å; F304-Y582 AromaticContact CE2-CD1 3.36Å; F304-Y582 HydrophobicContact CE2-CD1 3.36Å; F304-Y582 AromaticContact CE2-CD2 3.98Å; F304-Y582 HydrophobicContact CE2-CD2 3.98Å; F304-Y582 AromaticContact CE2-CE1 3.93Å; F304-Y582 HydrophobicContact CE2-CE1 3.93Å; F304-Y582 AromaticContact CE2-CG 3.38Å; F304-Y582 HydrophobicContact CE2-CG 3.38Å; F304-Y582 HydrophobicContact CZ-CD1 4.39Å; F304-Y582 HydrophobicContact CZ-CD2 4.4Å; F304-Y582 AromaticContact CZ-CG 3.99Å; F304-Y582 HydrophobicContact CZ-CG 3.99Å
305W83.7Confident85.8Confident217 Ų21759.9 Ų59.982%0.82232%0.322SS*.Hα-helixtrans-80.7-25174.7-159.862000112.4L301 V302 V303L301-W305 PolarHBondContact O-N 3.46Å; L301-W305 VanDerWaalsContact O-N 3.13Å; V302-W305 PolarHBondContact O-N 3.21Å; V302-W305 VanDerWaalsContact O-N 3.12Å; V303-W305 VanDerWaalsContact C-N 3.29Å
306L85.9Confident85.8Confident48 Ų4857.5 Ų57.525%0.25131%0.31SS..SBendtrans-74.5132.3-179.2-161.770.1000111.3V302 V303 A312 K313V302-L306 PolarHBondContact O-N 3.35Å; V303-L306 PolarHBondContact O-N 3.48Å; L306-A312 HydrophobicContact CD2-CB 4.22Å; L306-K313 HydrophobicContact CD2-CB 3.84Å; L306-K313 HydrophobicContact CG-CB 4.46Å; L306-K313 PolarHBondContact O-NZ 3.07Å
307P81.4Confident85.7Confident72 Ų7256.2 Ų56.247%0.46830%0.303SS..  trans-62141.7-177.825-34.3000111.6E309 S310P307-E309 PolarHBondContact O-N 3.45Å; P307-E309 VanDerWaalsContact O-N 3.1Å; P307-S310 WeakPolarHBondContact O-CB 3.48Å; P307-S310 PolarHBondContact O-N 2.87Å; P307-S310 VanDerWaalsContact O-N 3.08Å
308P75.7Confident85.9Confident9 Ų960.6 Ų60.66%0.05832%0.323CS..THydrogen-bonded Turntrans-67-13.3-173.825.8-34.1000114.5S310 I367 A571P308-S310 VanDerWaalsContact C-N 3.29Å; P308-I367 WeakPolarHBondContact O-CD1 3.46Å; P308-A571 HydrophobicContact CB-CB 4.25Å; P308-A571 HydrophobicContact CG-CB 3.6Å
309E75.9Confident86.2Confident95 Ų9562.4 Ų62.444%0.44433%0.328SS..THydrogen-bonded Turntrans-74.9-21.6175.3-64.8178.2-136.900112.6P307 P311 R568P307-E309 PolarHBondContact O-N 3.45Å; P307-E309 VanDerWaalsContact O-N 3.1Å; E309-P311 WeakPolarHBondContact O-CD 3.23Å; E309-R568 WeakPolarHBondContact OE1-CD 3.41Å; E309-R568 WeakPolarHBondContact OE1-CG 3.13Å; E309-R568 IonicContact OE1-CZ 3.26Å; E309-R568 IonicContact OE1-NE 2.79Å; E309-R568 PolarHBondContact OE1-NE 2.79Å; E309-R568 IonicContact OE1-NH2 3.16Å; E309-R568 IonicContact OE2-CZ 2.73Å; E309-R568 IonicContact OE2-NE 2.75Å; E309-R568 PolarHBondContact OE2-NE 3.28Å; E309-R568 VanDerWaalsContact OE2-NE 3.11Å; E309-R568 IonicContact OE2-NH2 3.64Å; E309-R568 PolarHBondContact OE2-NH2 2.97Å
310S83Confident86.3Confident30 Ų3059 Ų5921%0.2131%0.31CS..  trans-72.6120.9-177.4179.10000110.8P307 P308 A312 K313P307-S310 WeakPolarHBondContact O-CB 3.48Å; P307-S310 PolarHBondContact O-N 2.87Å; P307-S310 VanDerWaalsContact O-N 3.08Å; P308-S310 VanDerWaalsContact C-N 3.29Å; S310-A312 PolarHBondContact O-N 3.25Å; S310-A312 WeakPolarHBondContact OG-CB 3.24Å; S310-A312 PolarHBondContact OG-N 3.44Å; S310-K313 VanDerWaalsContact O-CB 3.31Å; S310-K313 WeakPolarHBondContact O-CB 3.48Å; S310-K313 PolarHBondContact O-N 2.86Å
311P85.3Confident86.6Confident102 Ų10262.2 Ų62.266%0.66232%0.324SS*.Hα-helixtrans-61.9-23.6170.526.4-33.9000111.9E309 K313 M314 M315E309-P311 WeakPolarHBondContact O-CD 3.23Å; P311-K313 PolarHBondContact O-N 2.96Å; P311-M314 PolarHBondContact O-N 2.97Å; P311-M315 PolarHBondContact O-N 2.6Å
312A88.5Confident87Confident51 Ų5163.1 Ų63.142%0.42133%0.333SS..Hα-helixtrans-63.3-24.2175.900000112.5L306 S310 L316L306-A312 HydrophobicContact CD2-CB 4.22Å; S310-A312 PolarHBondContact O-N 3.25Å; S310-A312 WeakPolarHBondContact OG-CB 3.24Å; S310-A312 PolarHBondContact OG-N 3.44Å; A312-L316 VanDerWaalsContact O-CB 3.23Å; A312-L316 WeakPolarHBondContact O-CB 3.27Å; A312-L316 PolarHBondContact O-N 2.94Å
313K86.8Confident87.3Confident4 Ų461.4 Ų61.42%0.01733%0.325CS..Hα-helixtrans-63.5-46.6174.4-173.4176.6-176.7156.70112V303 L306 S310 P311 G317 A363 D575V303-K313 HydrophobicContact CG1-CG 4.09Å; V303-K313 VanDerWaalsContact O-CE 3.27Å; V303-K313 WeakPolarHBondContact O-CE 3.47Å; L306-K313 HydrophobicContact CD2-CB 3.84Å; L306-K313 HydrophobicContact CG-CB 4.46Å; L306-K313 PolarHBondContact O-NZ 3.07Å; S310-K313 VanDerWaalsContact O-CB 3.31Å; S310-K313 WeakPolarHBondContact O-CB 3.48Å; S310-K313 PolarHBondContact O-N 2.86Å; P311-K313 PolarHBondContact O-N 2.96Å; K313-G317 PolarHBondContact O-N 2.95Å; K313-A363 HydrophobicContact CD-CB 4.39Å; K313-D575 IonicContact NZ-OD1 2.79Å; K313-D575 PolarHBondContact NZ-OD1 3.32Å; K313-D575 IonicContact NZ-OD2 3.62Å; K313-D575 PolarHBondContact NZ-OD2 3.27Å
314M86.3Confident87.6Confident75 Ų7561 Ų6137%0.36932%0.323SS..Hα-helixtrans-64.9-44.2179.3-174179.470.600110.5P311 G317 M318 T364P311-M314 PolarHBondContact O-N 2.97Å; M314-G317 PolarHBondContact O-N 3.44Å; M314-M318 HydrophobicContact CG-CE 3.8Å; M314-M318 HydrophobicContact CG-SD 4.32Å; M314-M318 WeakPolarHBondContact O-CG 3.38Å; M314-M318 PolarHBondContact O-N 2.98Å; M314-M318 HydrophobicContact SD-CE 4.09Å; M314-T364 HydrophobicContact CG-CG2 4.24Å; M314-T364 HydrophobicContact SD-CG2 3.7Å
315M90.7Very high88Confident126 Ų12665 Ų6562%0.62134%0.341SS*.Hα-helixtrans-64-46.4178.4-169.8175.8-171.200112.4P311 G317 M318 N319P311-M315 PolarHBondContact O-N 2.6Å; M315-G317 PolarHBondContact O-N 3.27Å; M315-M318 PolarHBondContact O-N 2.73Å; M315-N319 VanDerWaalsContact O-CG 3.31Å; M315-N319 PolarHBondContact O-N 3.2Å
316L91.5Very high88.6Confident53 Ų5358.2 Ų58.228%0.27732%0.323SS..Hα-helixtrans-62.5-43.1176.7-177.762.7000111.4V303 A312 N319 I320V303-L316 HydrophobicContact CG2-CB 4.42Å; V303-L316 HydrophobicContact CG2-CD2 3.63Å; V303-L316 HydrophobicContact CG2-CG 3.71Å; A312-L316 VanDerWaalsContact O-CB 3.23Å; A312-L316 WeakPolarHBondContact O-CB 3.27Å; A312-L316 PolarHBondContact O-N 2.94Å; L316-N319 PolarHBondContact O-N 2.86Å; L316-I320 HydrophobicContact CD1-CD1 3.89Å; L316-I320 HydrophobicContact CD1-CG1 4.24Å; L316-I320 HydrophobicContact CG-CD1 3.81Å; L316-I320 VanDerWaalsContact O-CG1 3.29Å; L316-I320 WeakPolarHBondContact O-CG1 3.39Å; L316-I320 PolarHBondContact O-N 3.48Å
317G89.8Confident88.9Confident0 Ų056.6 Ų56.60%031%0.314CS..Hα-helixtrans-61.3-43.2176.900000113.3K313 M314 M315 F321K313-G317 PolarHBondContact O-N 2.95Å; M314-G317 PolarHBondContact O-N 3.44Å; M315-G317 PolarHBondContact O-N 3.27Å; G317-F321 WeakPolarHBondContact O-CB 3.45Å; G317-F321 PolarHBondContact O-N 3.35Å
318M90.9Very high89.4Confident105 Ų10554.8 Ų54.852%0.51730%0.301SS..Hα-helixtrans-64-44.6174.9-72.6176.6176.200112.1M314 M315 I320 F321 V322M314-M318 HydrophobicContact CG-CE 3.8Å; M314-M318 HydrophobicContact CG-SD 4.32Å; M314-M318 WeakPolarHBondContact O-CG 3.38Å; M314-M318 PolarHBondContact O-N 2.98Å; M314-M318 HydrophobicContact SD-CE 4.09Å; M315-M318 PolarHBondContact O-N 2.73Å; M318-I320 PolarHBondContact O-N 3.38Å; M318-F321 WeakPolarHBondContact O-CB 3.47Å; M318-F321 PolarHBondContact O-N 2.74Å; M318-V322 WeakPolarHBondContact O-CG2 3.39Å; M318-V322 PolarHBondContact O-N 3.47Å
319N92.9Very high90.2Very high96 Ų9658.3 Ų58.351%0.51332%0.318SS..Hα-helixtrans-64-40.7179.2-72.4-9.2000112.1M315 L316 V322 A323M315-N319 VanDerWaalsContact O-CG 3.31Å; M315-N319 PolarHBondContact O-N 3.2Å; L316-N319 PolarHBondContact O-N 2.86Å; N319-V322 PolarHBondContact O-N 3.32Å; N319-A323 WeakPolarHBondContact O-CB 3.48Å; N319-A323 PolarHBondContact O-N 3.49Å
320I92.6Very high90.9Very high5 Ų557.5 Ų57.53%0.02632%0.317CS..Hα-helixtrans-67.8-38.6176.2-66.5168.3000110.9L299 T300 V303 L316 M318 V322 A323 F324 I356L299-I320 HydrophobicContact CB-CD1 3.83Å; T300-I320 HydrophobicContact CG2-CG2 3.71Å; V303-I320 HydrophobicContact CG2-CD1 3.54Å; L316-I320 HydrophobicContact CD1-CD1 3.89Å; L316-I320 HydrophobicContact CD1-CG1 4.24Å; L316-I320 HydrophobicContact CG-CD1 3.81Å; L316-I320 VanDerWaalsContact O-CG1 3.29Å; L316-I320 WeakPolarHBondContact O-CG1 3.39Å; L316-I320 PolarHBondContact O-N 3.48Å; M318-I320 PolarHBondContact O-N 3.38Å; I320-V322 PolarHBondContact O-N 3.19Å; I320-A323 PolarHBondContact O-N 2.91Å; I320-F324 HydrophobicContact CG2-CD2 3.59Å; I320-F324 HydrophobicContact CG2-CE2 3.53Å; I320-F324 WeakPolarHBondContact O-CD2 3.45Å; I320-F324 PolarHBondContact O-N 3.46Å; I320-I356 HydrophobicContact CG2-CD1 3.86Å
321F92.5Very high91.3Very high69 Ų6956.2 Ų56.230%0.30331%0.307SS..Hα-helixtrans-58.2-47.5173.6174.5-90.6000111.6G317 M318 A323 F324 F325 M353 I356 T357G317-F321 WeakPolarHBondContact O-CB 3.45Å; G317-F321 PolarHBondContact O-N 3.35Å; M318-F321 WeakPolarHBondContact O-CB 3.47Å; M318-F321 PolarHBondContact O-N 2.74Å; F321-A323 VanDerWaalsContact C-N 3.33Å; F321-A323 PolarHBondContact O-N 2.93Å; F321-F324 PolarHBondContact O-N 3.35Å; F321-F325 WeakPolarHBondContact O-CB 3.47Å; F321-F325 PolarHBondContact O-N 3.35Å; F321-M353 HydrophobicContact CD2-CB 4.35Å; F321-M353 HydrophobicContact CD2-CE 3.99Å; F321-M353 HydrophobicContact CD2-CG 4.39Å; F321-M353 HydrophobicContact CE1-CE 4.23Å; F321-M353 HydrophobicContact CE2-CB 4.17Å; F321-M353 HydrophobicContact CE2-CE 3.31Å; F321-M353 HydrophobicContact CE2-CG 4.39Å; F321-M353 HydrophobicContact CZ-CE 3.45Å; F321-M353 VanDerWaalsContact CZ-CE 3.45Å; F321-I356 HydrophobicContact CB-CG2 4.27Å; F321-T357 HydrophobicContact CD2-CG2 3.6Å; F321-T357 HydrophobicContact CE2-CG2 3.42Å; F321-T357 VanDerWaalsContact CE2-CG2 3.42Å; F321-T357 HydrophobicContact CZ-CG2 4.39Å
322V94.7Very high91.4Very high82 Ų8254.3 Ų54.350%0.49730%0.301SS..Hα-helixtrans-61.5-42.6176.31740000110.8M318 N319 I320 F324 F325 V326M318-V322 WeakPolarHBondContact O-CG2 3.39Å; M318-V322 PolarHBondContact O-N 3.47Å; N319-V322 PolarHBondContact O-N 3.32Å; I320-V322 PolarHBondContact O-N 3.19Å; V322-F324 PolarHBondContact O-N 3.23Å; V322-F325 WeakPolarHBondContact O-CB 3.45Å; V322-F325 PolarHBondContact O-N 3.3Å; V322-V326 HydrophobicContact CG1-CG2 4.48Å; V322-V326 WeakPolarHBondContact O-CG2 3.22Å; V322-V326 PolarHBondContact O-N 2.91Å
323A94.2Very high91.4Very high31 Ų3159.6 Ų59.626%0.25632%0.316SS..Hα-helixtrans-62-43.4177.900000112.7L296 N319 I320 F321 V326 L327L296-A323 HydrophobicContact CD1-CB 3.68Å; L296-A323 HydrophobicContact CD2-CB 3.86Å; L296-A323 HydrophobicContact CG-CB 4.46Å; N319-A323 WeakPolarHBondContact O-CB 3.48Å; N319-A323 PolarHBondContact O-N 3.49Å; I320-A323 PolarHBondContact O-N 2.91Å; F321-A323 VanDerWaalsContact C-N 3.33Å; F321-A323 PolarHBondContact O-N 2.93Å; A323-V326 PolarHBondContact O-N 2.99Å; A323-L327 PolarHBondContact O-N 3.36Å
324F92.8Very high91.3Very high0 Ų061.1 Ų61.10%033%0.328CS..Hα-helixtrans-64.8-38.8173.4-86.1-66.8000112.6L296 T300 I320 F321 V322 V326 L327 L328 F349 N352 M353 I356L296-F324 HydrophobicContact CB-CE1 4.2Å; L296-F324 HydrophobicContact CB-CE2 3.89Å; L296-F324 HydrophobicContact CB-CZ 3.68Å; L296-F324 HydrophobicContact CD1-CD1 4.4Å; L296-F324 HydrophobicContact CD1-CE1 4.47Å; L296-F324 HydrophobicContact CD1-CG 4.42Å; T300-F324 HydrophobicContact CG2-CE2 3.84Å; I320-F324 HydrophobicContact CG2-CD2 3.59Å; I320-F324 HydrophobicContact CG2-CE2 3.53Å; I320-F324 WeakPolarHBondContact O-CD2 3.45Å; I320-F324 PolarHBondContact O-N 3.46Å; F321-F324 PolarHBondContact O-N 3.35Å; V322-F324 PolarHBondContact O-N 3.23Å; F324-V326 VanDerWaalsContact C-N 3.34Å; F324-L327 PolarHBondContact O-N 2.85Å; F324-L328 WeakPolarHBondContact O-CB 3.45Å; F324-L328 PolarHBondContact O-N 2.93Å; F324-F349 HydrophobicContact CD1-CD1 4.44Å; F324-N352 HydrophobicContact CE1-CB 4.28Å; F324-N352 HydrophobicContact CE2-CB 4.41Å; F324-N352 HydrophobicContact CZ-CB 4.19Å; F324-M353 HydrophobicContact CB-CG 3.83Å; F324-M353 HydrophobicContact CB-SD 4.37Å; F324-I356 HydrophobicContact CD2-CD1 3.56Å; F324-I356 HydrophobicContact CE2-CD1 3.65Å
325F93.8Very high91.2Very high96 Ų9658.3 Ų58.342%0.42132%0.315SS..Hα-helixtrans-61.6-43.9175.3-178-109.4000111.3F321 V322 L328 L329 M353F321-F325 WeakPolarHBondContact O-CB 3.47Å; F321-F325 PolarHBondContact O-N 3.35Å; V322-F325 WeakPolarHBondContact O-CB 3.45Å; V322-F325 PolarHBondContact O-N 3.3Å; F325-L328 WeakPolarHBondContact O-CB 3.29Å; F325-L328 PolarHBondContact O-N 3.44Å; F325-L329 HydrophobicContact CD1-CD1 4.09Å; F325-L329 HydrophobicContact CD1-CG 4.5Å; F325-L329 HydrophobicContact CE1-CD1 3.65Å; F325-L329 HydrophobicContact CE1-CG 4.19Å; F325-L329 HydrophobicContact CZ-CD1 4.12Å; F325-L329 HydrophobicContact CZ-CD2 4.18Å; F325-L329 HydrophobicContact CZ-CG 4.27Å; F325-L329 WeakPolarHBondContact O-CG 3.23Å; F325-L329 PolarHBondContact O-N 3.22Å; F325-M353 HydrophobicContact CB-CE 3.95Å; F325-M353 HydrophobicContact CD2-CE 3.93Å; F325-M353 HydrophobicContact CG-CE 4.41Å
326V94.6Very high90.7Very high73 Ų7352.7 Ų52.744%0.44229%0.287SS..Hα-helixtrans-62.4-43.2174.8172.60000111.5V322 A323 F324 L328 L329 L330V322-V326 HydrophobicContact CG1-CG2 4.48Å; V322-V326 WeakPolarHBondContact O-CG2 3.22Å; V322-V326 PolarHBondContact O-N 2.91Å; A323-V326 PolarHBondContact O-N 2.99Å; F324-V326 VanDerWaalsContact C-N 3.34Å; V326-L328 VanDerWaalsContact C-N 3.29Å; V326-L328 PolarHBondContact O-N 3.47Å; V326-L329 PolarHBondContact O-N 3.22Å; V326-L330 HydrophobicContact CG1-CD1 4.49Å; V326-L330 WeakPolarHBondContact O-CG 3.33Å; V326-L330 PolarHBondContact O-N 2.85Å
327L92.7Very high90Very high15 Ų1555.6 Ų55.68%0.07931%0.312CS..Hα-helixtrans-62.5-35.6174.5-72.7-179000112.7P292 C293 L296 A323 F324 L330 L331 F349P292-L327 HydrophobicContact CB-CD1 4.44Å; P292-L327 HydrophobicContact CB-CD2 4.32Å; C293-L327 HydrophobicContact CB-CD1 4.23Å; L296-L327 HydrophobicContact CD1-CD1 3.49Å; L296-L327 VanDerWaalsContact CD1-CD1 3.49Å; L296-L327 HydrophobicContact CD1-CG 4.35Å; A323-L327 PolarHBondContact O-N 3.36Å; F324-L327 PolarHBondContact O-N 2.85Å; L327-L330 HydrophobicContact CD2-CD1 4.36Å; L327-L330 PolarHBondContact O-N 2.95Å; L327-L331 WeakPolarHBondContact O-CB 3.41Å; L327-L331 PolarHBondContact O-N 2.85Å; L327-F349 HydrophobicContact CB-CE2 4.17Å
328L91.9Very high89.3Confident34 Ų3457.3 Ų57.318%0.17833%0.327CS..Hα-helixtrans-67.9-36.8175.2-17763.6000111.8F324 F325 V326 L331 A332 F349 M353F324-L328 WeakPolarHBondContact O-CB 3.45Å; F324-L328 PolarHBondContact O-N 2.93Å; F325-L328 WeakPolarHBondContact O-CB 3.29Å; F325-L328 PolarHBondContact O-N 3.44Å; V326-L328 VanDerWaalsContact C-N 3.29Å; V326-L328 PolarHBondContact O-N 3.47Å; L328-L331 HydrophobicContact CD1-CD2 4.35Å; L328-L331 PolarHBondContact O-N 2.91Å; L328-A332 WeakPolarHBondContact O-CB 3.44Å; L328-A332 PolarHBondContact O-N 3.48Å; L328-F349 HydrophobicContact CB-CD2 4.23Å; L328-F349 HydrophobicContact CD1-CB 4.21Å; L328-F349 HydrophobicContact CD1-CD2 4.1Å; L328-M353 HydrophobicContact CD2-SD 4.13Å
329L92.1Very high88.6Confident82 Ų8254 Ų5443%0.42931%0.313SS..Hα-helixtrans-65-44.6172.5-67.3178.4000111.4F325 V326 L331 A332 E333F325-L329 HydrophobicContact CD1-CD1 4.09Å; F325-L329 HydrophobicContact CD1-CG 4.5Å; F325-L329 HydrophobicContact CE1-CD1 3.65Å; F325-L329 HydrophobicContact CE1-CG 4.19Å; F325-L329 HydrophobicContact CZ-CD1 4.12Å; F325-L329 HydrophobicContact CZ-CD2 4.18Å; F325-L329 HydrophobicContact CZ-CG 4.27Å; F325-L329 WeakPolarHBondContact O-CG 3.23Å; F325-L329 PolarHBondContact O-N 3.22Å; V326-L329 PolarHBondContact O-N 3.22Å; L329-L331 VanDerWaalsContact C-N 3.28Å; L329-L331 PolarHBondContact O-N 3.3Å; L329-A332 WeakPolarHBondContact O-CB 3.47Å; L329-A332 PolarHBondContact O-N 3.3Å; L329-A332 VanDerWaalsContact O-N 3.09Å; L329-E333 PolarHBondContact O-N 3.31Å
330L91.8Very high87.8Confident79 Ų7959 Ų5941%0.41433%0.329SS..Hα-helixtrans-61-38.2174.7-68.7174.7000112L289 V326 L327 E333 S334L289-L330 HydrophobicContact CD2-CB 4.08Å; V326-L330 HydrophobicContact CG1-CD1 4.49Å; V326-L330 WeakPolarHBondContact O-CG 3.33Å; V326-L330 PolarHBondContact O-N 2.85Å; L327-L330 HydrophobicContact CD2-CD1 4.36Å; L327-L330 PolarHBondContact O-N 2.95Å; L330-E333 PolarHBondContact O-N 3.12Å; L330-S334 WeakPolarHBondContact O-CB 3.08Å; L330-S334 PolarHBondContact O-N 2.89Å; L330-S334 VanDerWaalsContact O-N 3.07Å; L330-S334 PolarHBondContact O-OG 3.22Å
331L90.2Very high87.4Confident2 Ų262.1 Ų62.11%0.0135%0.346CS..Hα-helixtrans-64.3-43.5172.2-178.468.6000111.5F178 L289 L327 L328 L329 E333 S334 T335 I345 G346 F349F178-L331 HydrophobicContact CD1-CD1 3.82Å; F178-L331 HydrophobicContact CE1-CD1 3.64Å; L289-L331 HydrophobicContact CD1-CD1 4.3Å; L327-L331 WeakPolarHBondContact O-CB 3.41Å; L327-L331 PolarHBondContact O-N 2.85Å; L328-L331 HydrophobicContact CD1-CD2 4.35Å; L328-L331 PolarHBondContact O-N 2.91Å; L329-L331 VanDerWaalsContact C-N 3.28Å; L329-L331 PolarHBondContact O-N 3.3Å; L331-E333 VanDerWaalsContact C-N 3.29Å; L331-E333 PolarHBondContact O-N 2.98Å; L331-S334 WeakPolarHBondContact CA-OG 3.31Å; L331-S334 PolarHBondContact O-N 2.97Å; L331-S334 PolarHBondContact O-OG 2.85Å; L331-T335 HydrophobicContact CD1-CG2 3.73Å; L331-T335 HydrophobicContact CG-CG2 4.23Å; L331-T335 WeakPolarHBondContact O-CB 3.46Å; L331-T335 WeakPolarHBondContact O-CG2 3.32Å; L331-T335 PolarHBondContact O-N 2.93Å; L331-T335 PolarHBondContact O-OG1 3.45Å; L331-I345 HydrophobicContact CD1-CG2 3.86Å; L331-I345 HydrophobicContact CD2-CG2 3.87Å; L331-G346 VanDerWaalsContact CD2-CA 3.45Å; L331-F349 HydrophobicContact CB-CE2 4.16Å; L331-F349 HydrophobicContact CD2-CD2 4.03Å; L331-F349 HydrophobicContact CD2-CE2 3.98Å
332A88.6Confident86.9Confident63 Ų6364.5 Ų64.552%0.52136%0.357SS..Hα-helixtrans-66.2-29.3178.800000113.1L328 L329 T335L328-A332 WeakPolarHBondContact O-CB 3.44Å; L328-A332 PolarHBondContact O-N 3.48Å; L329-A332 WeakPolarHBondContact O-CB 3.47Å; L329-A332 PolarHBondContact O-N 3.3Å; L329-A332 VanDerWaalsContact O-N 3.09Å; A332-T335 VanDerWaalsContact O-O 3.08Å
333E87.9Confident86.7Confident161 Ų16160.7 Ų60.775%0.75233%0.334SS*.Hα-helixtrans-77.3-32.5173.5-73-178.8178.800112.7L329 L330 L331L329-E333 PolarHBondContact O-N 3.31Å; L330-E333 PolarHBondContact O-N 3.12Å; L331-E333 VanDerWaalsContact C-N 3.29Å; L331-E333 PolarHBondContact O-N 2.98Å
334S84Confident86.3Confident36 Ų3661.6 Ų61.625%0.25233%0.334SS..Hα-helixtrans-88.4-11.5-179.953.50000114.3L330 L331L330-S334 WeakPolarHBondContact O-CB 3.08Å; L330-S334 PolarHBondContact O-N 2.89Å; L330-S334 VanDerWaalsContact O-N 3.07Å; L330-S334 PolarHBondContact O-OG 3.22Å; L331-S334 WeakPolarHBondContact CA-OG 3.31Å; L331-S334 PolarHBondContact O-N 2.97Å; L331-S334 PolarHBondContact O-OG 2.85Å
335T85.3Confident85.9Confident17 Ų1762.9 Ų62.910%0.10434%0.34CS..SBendtrans-111.6143.2176.8550000110.7I175 F178 L331 A332 P343I175-T335 HydrophobicContact CD1-CG2 4.12Å; F178-T335 HydrophobicContact CD1-CG2 4.07Å; F178-T335 HydrophobicContact CD2-CG2 4.3Å; F178-T335 HydrophobicContact CE1-CG2 4.09Å; F178-T335 HydrophobicContact CE2-CG2 4.3Å; F178-T335 HydrophobicContact CG-CG2 4.17Å; F178-T335 HydrophobicContact CZ-CG2 4.18Å; L331-T335 HydrophobicContact CD1-CG2 3.73Å; L331-T335 HydrophobicContact CG-CG2 4.23Å; L331-T335 WeakPolarHBondContact O-CB 3.46Å; L331-T335 WeakPolarHBondContact O-CG2 3.32Å; L331-T335 PolarHBondContact O-N 2.93Å; L331-T335 PolarHBondContact O-OG1 3.45Å; A332-T335 VanDerWaalsContact O-O 3.08Å; T335-P343 HydrophobicContact CG2-CG 4.48Å
336P80.2Confident85.7Confident7 Ų758.3 Ų58.35%0.04532%0.32CS..  trans-69149-179.329.9-40.6000113.1E88 N89 I175 A338 V339E88-P336 VanDerWaalsContact C-CB 3.46Å; E88-P336 HydrophobicContact CB-CB 3.74Å; E88-P336 HydrophobicContact CB-CG 3.68Å; E88-P336 WeakPolarHBondContact O-CB 3.33Å; N89-P336 WeakPolarHBondContact OD1-CA 3.49Å; N89-P336 WeakPolarHBondContact OD1-CB 3.21Å; I175-P336 HydrophobicContact CD1-CG 4.18Å; I175-P336 HydrophobicContact CG2-CG 4.06Å; P336-A338 VanDerWaalsContact C-N 3.28Å; P336-A338 PolarHBondContact O-N 3.14Å; P336-V339 HydrophobicContact CB-CG1 4.39Å; P336-V339 HydrophobicContact CG-CG1 3.52Å
337S77.5Confident85.4Confident114 Ų11457.8 Ų57.880%0.79732%0.317SS*.SBendtrans-75.3-18.217256.50000113.4N89 V339N89-S337 PolarHBondContact OD1-N 2.9Å; N89-S337 VanDerWaalsContact OD1-N 3.13Å; S337-V339 PolarHBondContact O-N 3.33Å
338A74.3Confident85Confident37 Ų3758.1 Ų58.131%0.30632%0.318SS..  trans-98.853.3-170.500000113N89 Q91 P336N89-A338 WeakPolarHBondContact O-CB 3.49Å; Q91-A338 PolarHBondContact NE2-O 2.81Å; P336-A338 VanDerWaalsContact C-N 3.28Å; P336-A338 PolarHBondContact O-N 3.14Å
339V75.2Confident84.9Confident36 Ų3656.5 Ų56.522%0.21831%0.31CS..  trans-118.6144.6-179.4-700000112.9I175 P336 S337 N341I175-V339 HydrophobicContact CB-CG1 4.49Å; I175-V339 HydrophobicContact CD1-CB 4.16Å; I175-V339 HydrophobicContact CD1-CG1 3.8Å; I175-V339 HydrophobicContact CD1-CG2 3.67Å; I175-V339 HydrophobicContact CG1-CB 4.04Å; I175-V339 HydrophobicContact CG1-CG1 3.75Å; I175-V339 HydrophobicContact CG1-CG2 3.95Å; I175-V339 HydrophobicContact CG2-CG1 4.07Å; P336-V339 HydrophobicContact CB-CG1 4.39Å; P336-V339 HydrophobicContact CG-CG1 3.52Å; S337-V339 PolarHBondContact O-N 3.33Å; V339-N341 WeakPolarHBondContact CG2-O 3.32Å
340K77.3Confident84.7Confident199 Ų19954.8 Ų54.887%0.86530%0.304SS*.SBendtrans-67.2-41.1176.6-176.3-179.8178.8-179.20112
341N82.8Confident84.5Confident72 Ų7255.4 Ų55.439%0.38531%0.307SS..SBendtrans-118135.1-176.7-63-28.9000109.9V339V339-N341 WeakPolarHBondContact CG2-O 3.32Å
342F83.8Confident84.2Confident119 Ų11955.5 Ų55.552%0.52231%0.308SS..  trans-74.5141.2176-171.8-98.8000110.8V347F342-V347 HydrophobicContact CD1-CG2 3.69Å; F342-V347 HydrophobicContact CE1-CG2 4.11Å
343P88.7Confident84.2Confident2 Ų253.5 Ų53.51%0.01329%0.288CS..  trans-66.6136.3-175.426.3-35000112.1I175 F178 T335 I345 G346 V347I175-P343 HydrophobicContact CD1-CB 4.26Å; I175-P343 HydrophobicContact CD1-CG 4.08Å; I175-P343 HydrophobicContact CG1-CB 4.35Å; F178-P343 HydrophobicContact CB-CB 4.41Å; T335-P343 HydrophobicContact CG2-CG 4.48Å; P343-I345 VanDerWaalsContact C-N 3.28Å; P343-I345 HydrophobicContact CB-CG2 4.23Å; P343-I345 PolarHBondContact O-N 2.95Å; P343-G346 PolarHBondContact O-N 3.18Å; P343-V347 PolarHBondContact O-N 2.81Å
344L86.5Confident84.2Confident49 Ų4950.2 Ų50.226%0.25728%0.275SS..Hα-helixtrans-60.4-36.1-177.9-69.3171.6000112.9T176 Y177 G346 V347 F348 V592T176-L344 HydrophobicContact CG2-CD1 4.2Å; T176-L344 HydrophobicContact CG2-CG 4.21Å; T176-L344 WeakPolarHBondContact O-CG 3.17Å; T176-L344 PolarHBondContact O-N 2.92Å; T176-L344 VanDerWaalsContact O-N 3.12Å; Y177-L344 HydrophobicContact CD1-CD1 3.84Å; Y177-L344 HydrophobicContact CE1-CD1 3.75Å; L344-G346 VanDerWaalsContact C-N 3.26Å; L344-G346 PolarHBondContact O-N 2.76Å; L344-V347 WeakPolarHBondContact O-CB 3.23Å; L344-V347 PolarHBondContact O-N 3.22Å; L344-V347 VanDerWaalsContact O-N 3.12Å; L344-F348 PolarHBondContact O-N 2.93Å; L344-V592 HydrophobicContact CD1-CG1 4.45Å; L344-V592 HydrophobicContact CD2-CG1 4.36Å
345I85.8Confident84.2Confident27 Ų2749.4 Ų49.414%0.13827%0.267CS..Hα-helixtrans-62.4-33.7175.8-173.262000112.1F178 L331 P343 F348 F349F178-I345 HydrophobicContact CD1-CG2 4.17Å; L331-I345 HydrophobicContact CD1-CG2 3.86Å; L331-I345 HydrophobicContact CD2-CG2 3.87Å; P343-I345 VanDerWaalsContact C-N 3.28Å; P343-I345 HydrophobicContact CB-CG2 4.23Å; P343-I345 PolarHBondContact O-N 2.95Å; I345-F348 HydrophobicContact CD1-CD1 4.14Å; I345-F348 WeakPolarHBondContact O-CB 3.37Å; I345-F348 PolarHBondContact O-N 3.37Å; I345-F349 HydrophobicContact CD1-CD1 4.45Å; I345-F349 HydrophobicContact CD1-CE1 3.7Å; I345-F349 HydrophobicContact CD1-CZ 4.08Å; I345-F349 HydrophobicContact CG1-CE1 3.88Å; I345-F349 HydrophobicContact CG1-CE2 4.41Å; I345-F349 HydrophobicContact CG1-CZ 3.79Å; I345-F349 WeakPolarHBondContact O-CD1 3.11Å; I345-F349 WeakPolarHBondContact O-CG 3.05Å; I345-F349 PolarHBondContact O-N 2.82Å; I345-F349 VanDerWaalsContact O-N 3.07Å
346G88.5Confident84.2Confident0 Ų048.9 Ų48.90%026%0.264CS..Hα-helixtrans-68.5-38.8173.900000111.9L331 P343 L344 F348 F349 C350L331-G346 VanDerWaalsContact CD2-CA 3.45Å; P343-G346 PolarHBondContact O-N 3.18Å; L344-G346 VanDerWaalsContact C-N 3.26Å; L344-G346 PolarHBondContact O-N 2.76Å; G346-F348 VanDerWaalsContact C-N 3.27Å; G346-F348 PolarHBondContact O-N 2.67Å; G346-F349 PolarHBondContact O-N 3.21Å; G346-C350 PolarHBondContact O-N 3.43Å; G346-C350 PolarHBondContact O-SG 3.24Å
347V87.3Confident84.6Confident62 Ų6251.2 Ų51.238%0.37628%0.278SS..Hα-helixtrans-60.9-41.7173.9-178.20000109.8F342 P343 L344 C350 L351F342-V347 HydrophobicContact CD1-CG2 3.69Å; F342-V347 HydrophobicContact CE1-CG2 4.11Å; P343-V347 PolarHBondContact O-N 2.81Å; L344-V347 WeakPolarHBondContact O-CB 3.23Å; L344-V347 PolarHBondContact O-N 3.22Å; L344-V347 VanDerWaalsContact O-N 3.12Å; V347-C350 PolarHBondContact O-N 2.9Å; V347-L351 HydrophobicContact CG1-CD1 4.03Å; V347-L351 HydrophobicContact CG1-CG 4.25Å; V347-L351 WeakPolarHBondContact O-CB 3.22Å; V347-L351 WeakPolarHBondContact O-CG 3.49Å; V347-L351 PolarHBondContact O-N 3.41Å
348F85.9Confident85Confident22 Ų2249.5 Ų49.510%0.09626%0.259CS..Hα-helixtrans-59.6-46.5175177.7-116.6000112.5C293 L344 I345 G346 C350 L351 N352 A589C293-F348 WeakPolarHBondContact SG-CE1 3.32Å; L344-F348 PolarHBondContact O-N 2.93Å; I345-F348 HydrophobicContact CD1-CD1 4.14Å; I345-F348 WeakPolarHBondContact O-CB 3.37Å; I345-F348 PolarHBondContact O-N 3.37Å; G346-F348 VanDerWaalsContact C-N 3.27Å; G346-F348 PolarHBondContact O-N 2.67Å; F348-C350 VanDerWaalsContact C-N 3.34Å; F348-C350 PolarHBondContact O-N 3.47Å; F348-L351 PolarHBondContact O-N 3.48Å; F348-N352 WeakPolarHBondContact CD1-ND2 3.44Å; F348-N352 VanDerWaalsContact CD2-ND2 3.33Å; F348-N352 WeakPolarHBondContact CD2-ND2 3.46Å; F348-N352 WeakPolarHBondContact CE1-ND2 3.25Å; F348-N352 WeakPolarHBondContact CE2-ND2 3.44Å; F348-N352 WeakPolarHBondContact CZ-ND2 3.34Å; F348-N352 PolarHBondContact O-N 2.86Å; F348-N352 PolarHBondContact O-ND2 3.35Å; F348-A589 HydrophobicContact CD2-CB 3.33Å; F348-A589 HydrophobicContact CE2-CB 3.54Å; F348-A589 HydrophobicContact CG-CB 4.44Å
349F88.8Confident85.4Confident0 Ų048 Ų480%025%0.246CC..Hα-helixtrans-60.6-44176-64.8-8.4000111.7C293 F324 L327 L328 L331 I345 G346 N352 M353C293-F349 HydrophobicContact CB-CE1 3.81Å; C293-F349 HydrophobicContact CB-CZ 4.24Å; C293-F349 WeakPolarHBondContact SG-CE1 3.33Å; F324-F349 HydrophobicContact CD1-CD1 4.44Å; L327-F349 HydrophobicContact CB-CE2 4.17Å; L328-F349 HydrophobicContact CB-CD2 4.23Å; L328-F349 HydrophobicContact CD1-CB 4.21Å; L328-F349 HydrophobicContact CD1-CD2 4.1Å; L331-F349 HydrophobicContact CB-CE2 4.16Å; L331-F349 HydrophobicContact CD2-CD2 4.03Å; L331-F349 HydrophobicContact CD2-CE2 3.98Å; I345-F349 HydrophobicContact CD1-CD1 4.45Å; I345-F349 HydrophobicContact CD1-CE1 3.7Å; I345-F349 HydrophobicContact CD1-CZ 4.08Å; I345-F349 HydrophobicContact CG1-CE1 3.88Å; I345-F349 HydrophobicContact CG1-CE2 4.41Å; I345-F349 HydrophobicContact CG1-CZ 3.79Å; I345-F349 WeakPolarHBondContact O-CD1 3.11Å; I345-F349 WeakPolarHBondContact O-CG 3.05Å; I345-F349 PolarHBondContact O-N 2.82Å; I345-F349 VanDerWaalsContact O-N 3.07Å; G346-F349 PolarHBondContact O-N 3.21Å; F349-N352 PolarHBondContact O-N 3.47Å; F349-M353 WeakPolarHBondContact O-CG 3.44Å; F349-M353 PolarHBondContact O-N 3.22Å
350C89Confident85.8Confident47 Ų4747.5 Ų47.532%0.31824%0.244SC..Hα-helixtrans-62.2-45177.8-66.50000112G346 V347 F348 N352 M353 I354G346-C350 PolarHBondContact O-N 3.43Å; G346-C350 PolarHBondContact O-SG 3.24Å; V347-C350 PolarHBondContact O-N 2.9Å; F348-C350 VanDerWaalsContact C-N 3.34Å; F348-C350 PolarHBondContact O-N 3.47Å; C350-N352 PolarHBondContact O-N 3.26Å; C350-M353 PolarHBondContact O-N 2.99Å; C350-I354 VanDerWaalsContact O-CG1 3.3Å; C350-I354 WeakPolarHBondContact O-CG1 3.37Å; C350-I354 PolarHBondContact O-N 2.95Å
351L85.9Confident86.2Confident91 Ų9143.5 Ų43.548%0.47623%0.226SC..Hα-helixtrans-61.7-42.7176.5-72175.8000111.6V347 F348 I354 M355V347-L351 HydrophobicContact CG1-CD1 4.03Å; V347-L351 HydrophobicContact CG1-CG 4.25Å; V347-L351 WeakPolarHBondContact O-CB 3.22Å; V347-L351 WeakPolarHBondContact O-CG 3.49Å; V347-L351 PolarHBondContact O-N 3.41Å; F348-L351 PolarHBondContact O-N 3.48Å; L351-I354 PolarHBondContact O-N 3.38Å; L351-M355 VanDerWaalsContact O-CG 3.32Å; L351-M355 WeakPolarHBondContact O-CG 3.46Å; L351-M355 PolarHBondContact O-N 2.93Å
352N84.1Confident86Confident4 Ų442.4 Ų42.42%0.02122%0.22CC..Hα-helixtrans-61.2-44.8174.8-77.3-57.1000112F324 F348 F349 C350 I354 M355 I356 Y582F324-N352 HydrophobicContact CE1-CB 4.28Å; F324-N352 HydrophobicContact CE2-CB 4.41Å; F324-N352 HydrophobicContact CZ-CB 4.19Å; F348-N352 WeakPolarHBondContact CD1-ND2 3.44Å; F348-N352 VanDerWaalsContact CD2-ND2 3.33Å; F348-N352 WeakPolarHBondContact CD2-ND2 3.46Å; F348-N352 WeakPolarHBondContact CE1-ND2 3.25Å; F348-N352 WeakPolarHBondContact CE2-ND2 3.44Å; F348-N352 WeakPolarHBondContact CZ-ND2 3.34Å; F348-N352 PolarHBondContact O-N 2.86Å; F348-N352 PolarHBondContact O-ND2 3.35Å; F349-N352 PolarHBondContact O-N 3.47Å; C350-N352 PolarHBondContact O-N 3.26Å; N352-I354 VanDerWaalsContact C-N 3.34Å; N352-I354 PolarHBondContact O-N 2.89Å; N352-M355 PolarHBondContact O-N 3.35Å; N352-I356 WeakPolarHBondContact O-CB 3.46Å; N352-I356 WeakPolarHBondContact O-CD1 3.39Å; N352-I356 VanDerWaalsContact O-CG1 3.23Å; N352-I356 WeakPolarHBondContact O-CG1 3.43Å; N352-I356 PolarHBondContact O-N 2.86Å; N352-Y582 WeakPolarHBondContact OD1-CE2 3.37Å; N352-Y582 PolarHBondContact OD1-OH 2.78Å; N352-Y582 VanDerWaalsContact OD1-OH 3.14Å
353M88.9Confident85.8Confident22 Ų2237.1 Ų37.111%0.10820%0.199CC..Hα-helixtrans-61.5-41.8177.1-72178.56900112F321 F324 F325 L328 F349 C350 I356 T357F321-M353 HydrophobicContact CD2-CB 4.35Å; F321-M353 HydrophobicContact CD2-CE 3.99Å; F321-M353 HydrophobicContact CD2-CG 4.39Å; F321-M353 HydrophobicContact CE1-CE 4.23Å; F321-M353 HydrophobicContact CE2-CB 4.17Å; F321-M353 HydrophobicContact CE2-CE 3.31Å; F321-M353 HydrophobicContact CE2-CG 4.39Å; F321-M353 HydrophobicContact CZ-CE 3.45Å; F321-M353 VanDerWaalsContact CZ-CE 3.45Å; F324-M353 HydrophobicContact CB-CG 3.83Å; F324-M353 HydrophobicContact CB-SD 4.37Å; F325-M353 HydrophobicContact CB-CE 3.95Å; F325-M353 HydrophobicContact CD2-CE 3.93Å; F325-M353 HydrophobicContact CG-CE 4.41Å; L328-M353 HydrophobicContact CD2-SD 4.13Å; F349-M353 WeakPolarHBondContact O-CG 3.44Å; F349-M353 PolarHBondContact O-N 3.22Å; C350-M353 PolarHBondContact O-N 2.99Å; M353-I356 PolarHBondContact O-N 3.18Å; M353-T357 WeakPolarHBondContact O-CB 3.26Å; M353-T357 VanDerWaalsContact O-CG2 3.22Å; M353-T357 WeakPolarHBondContact O-CG2 3.41Å; M353-T357 PolarHBondContact O-N 3.5Å; M353-T357 PolarHBondContact O-OG1 2.82Å
354I88.5Confident85.5Confident91 Ų9139.2 Ų39.247%0.46721%0.212SC..Hα-helixtrans-62.7-43.8174.9-67.4165.2000110.7C350 L351 N352 T357 L358C350-I354 VanDerWaalsContact O-CG1 3.3Å; C350-I354 WeakPolarHBondContact O-CG1 3.37Å; C350-I354 PolarHBondContact O-N 2.95Å; L351-I354 PolarHBondContact O-N 3.38Å; N352-I354 VanDerWaalsContact C-N 3.34Å; N352-I354 PolarHBondContact O-N 2.89Å; I354-T357 WeakPolarHBondContact CA-OG1 3.44Å; I354-T357 PolarHBondContact O-N 3.06Å; I354-T357 PolarHBondContact O-OG1 2.99Å; I354-L358 HydrophobicContact CG2-CD1 3.99Å; I354-L358 HydrophobicContact CG2-CG 4.47Å; I354-L358 WeakPolarHBondContact O-CB 3.42Å; I354-L358 VanDerWaalsContact O-CG 3.31Å; I354-L358 WeakPolarHBondContact O-CG 3.47Å; I354-L358 PolarHBondContact O-N 3.28Å
355M84.1Confident85.1Confident19 Ų1940.5 Ų40.59%0.09422%0.217CC..Hα-helixtrans-65-42.2178.7-72.1-59.3-66.100112.7L351 N352 S359 I581 Y582L351-M355 VanDerWaalsContact O-CG 3.32Å; L351-M355 WeakPolarHBondContact O-CG 3.46Å; L351-M355 PolarHBondContact O-N 2.93Å; N352-M355 PolarHBondContact O-N 3.35Å; M355-S359 VanDerWaalsContact O-CB 3.32Å; M355-S359 WeakPolarHBondContact O-CB 3.3Å; M355-S359 PolarHBondContact O-N 3.47Å; M355-I581 HydrophobicContact CE-CB 4.13Å; M355-I581 HydrophobicContact CE-CG2 3.57Å; M355-I581 HydrophobicContact SD-CG2 4.3Å; M355-Y582 HydrophobicContact CB-CD2 3.89Å; M355-Y582 HydrophobicContact CB-CE2 4.22Å; M355-Y582 HydrophobicContact CE-CD2 4.23Å; M355-Y582 HydrophobicContact CG-CD2 4.18Å
356I86.1Confident84.6Confident7 Ų740.3 Ų40.34%0.03622%0.217CC..Hα-helixtrans-66.7-42.4177.5-66.4158.8000110.8T300 I320 F321 F324 N352 M353 S359 T360T300-I356 HydrophobicContact CG2-CD1 3.71Å; T300-I356 HydrophobicContact CG2-CG1 4Å; I320-I356 HydrophobicContact CG2-CD1 3.86Å; F321-I356 HydrophobicContact CB-CG2 4.27Å; F324-I356 HydrophobicContact CD2-CD1 3.56Å; F324-I356 HydrophobicContact CE2-CD1 3.65Å; N352-I356 WeakPolarHBondContact O-CB 3.46Å; N352-I356 WeakPolarHBondContact O-CD1 3.39Å; N352-I356 VanDerWaalsContact O-CG1 3.23Å; N352-I356 WeakPolarHBondContact O-CG1 3.43Å; N352-I356 PolarHBondContact O-N 2.86Å; M353-I356 PolarHBondContact O-N 3.18Å; I356-S359 PolarHBondContact O-N 3.26Å; I356-T360 HydrophobicContact CG2-CG2 4.28Å; I356-T360 WeakPolarHBondContact O-CB 3.44Å; I356-T360 WeakPolarHBondContact O-CG2 3.36Å; I356-T360 PolarHBondContact O-N 2.86Å; I356-T360 PolarHBondContact O-OG1 2.94Å
357T87.3Confident84Confident55 Ų5542.6 Ų42.634%0.33723%0.229SC..Hα-helixtrans-64.7-43.2177.950.30000111.7F321 M353 I354 T360 F361F321-T357 HydrophobicContact CD2-CG2 3.6Å; F321-T357 HydrophobicContact CE2-CG2 3.42Å; F321-T357 VanDerWaalsContact CE2-CG2 3.42Å; F321-T357 HydrophobicContact CZ-CG2 4.39Å; M353-T357 WeakPolarHBondContact O-CB 3.26Å; M353-T357 VanDerWaalsContact O-CG2 3.22Å; M353-T357 WeakPolarHBondContact O-CG2 3.41Å; M353-T357 PolarHBondContact O-N 3.5Å; M353-T357 PolarHBondContact O-OG1 2.82Å; I354-T357 WeakPolarHBondContact CA-OG1 3.44Å; I354-T357 PolarHBondContact O-N 3.06Å; I354-T357 PolarHBondContact O-OG1 2.99Å; T357-T360 WeakPolarHBondContact CA-OG1 3.42Å; T357-T360 PolarHBondContact O-OG1 3.37Å; T357-T360 VanDerWaalsContact O-OG1 3.06Å; T357-F361 WeakPolarHBondContact O-CB 3.32Å; T357-F361 PolarHBondContact O-N 2.58Å
358L86.7Confident83.6Confident78 Ų7844.5 Ų44.541%0.40823%0.234SC..Hα-helixtrans-63-43.2174.2-70.9173.9000112.2I354 F361 L362I354-L358 HydrophobicContact CG2-CD1 3.99Å; I354-L358 HydrophobicContact CG2-CG 4.47Å; I354-L358 WeakPolarHBondContact O-CB 3.42Å; I354-L358 VanDerWaalsContact O-CG 3.31Å; I354-L358 WeakPolarHBondContact O-CG 3.47Å; I354-L358 PolarHBondContact O-N 3.28Å; L358-F361 PolarHBondContact O-N 2.57Å; L358-L362 WeakPolarHBondContact O-CB 3.35Å; L358-L362 VanDerWaalsContact O-CG 3.29Å; L358-L362 WeakPolarHBondContact O-CG 3.37Å; L358-L362 PolarHBondContact O-N 2.93Å
359S82.2Confident83Confident5 Ų546.5 Ų46.54%0.03525%0.245CC..Hα-helixtrans-61.9-48.1177.5178.50000112.3F304 M355 I356 L362 A363F304-S359 WeakPolarHBondContact CE1-OG 3.33Å; M355-S359 VanDerWaalsContact O-CB 3.32Å; M355-S359 WeakPolarHBondContact O-CB 3.3Å; M355-S359 PolarHBondContact O-N 3.47Å; I356-S359 PolarHBondContact O-N 3.26Å; S359-L362 PolarHBondContact O-N 2.76Å; S359-A363 WeakPolarHBondContact O-CB 3.46Å; S359-A363 PolarHBondContact O-N 3.33Å
360T83.2Confident82.2Confident27 Ų2749.8 Ų49.817%0.16626%0.258CS..Hα-helixtrans-68.2-39.4178.552.80000112.2I356 T357 L362 A363 T364I356-T360 HydrophobicContact CG2-CG2 4.28Å; I356-T360 WeakPolarHBondContact O-CB 3.44Å; I356-T360 WeakPolarHBondContact O-CG2 3.36Å; I356-T360 PolarHBondContact O-N 2.86Å; I356-T360 PolarHBondContact O-OG1 2.94Å; T357-T360 WeakPolarHBondContact CA-OG1 3.42Å; T357-T360 PolarHBondContact O-OG1 3.37Å; T357-T360 VanDerWaalsContact O-OG1 3.06Å; T360-L362 VanDerWaalsContact C-N 3.35Å; T360-L362 PolarHBondContact O-N 3.39Å; T360-A363 PolarHBondContact O-N 2.97Å; T360-T364 WeakPolarHBondContact O-CG2 3.15Å; T360-T364 PolarHBondContact O-N 2.89Å; T360-T364 PolarHBondContact O-OG1 3.06Å
361F85.2Confident81.5Confident114 Ų11454.2 Ų54.250%0.527%0.272SS..Hα-helixtrans-60.6-43.3173.6178.7-100.9000111.8T357 L358 T364 M365T357-F361 WeakPolarHBondContact O-CB 3.32Å; T357-F361 PolarHBondContact O-N 2.58Å; L358-F361 PolarHBondContact O-N 2.57Å; F361-T364 WeakPolarHBondContact CA-OG1 3.41Å; F361-T364 PolarHBondContact O-N 3.35Å; F361-T364 PolarHBondContact O-OG1 2.98Å; F361-M365 HydrophobicContact CD1-CG 4.18Å; F361-M365 HydrophobicContact CE1-CG 3.75Å; F361-M365 HydrophobicContact CE2-CE 4.24Å; F361-M365 HydrophobicContact CE2-CG 4.25Å; F361-M365 HydrophobicContact CZ-CE 4.34Å; F361-M365 HydrophobicContact CZ-CG 3.79Å; F361-M365 HydrophobicContact CZ-SD 4.13Å; F361-M365 WeakPolarHBondContact O-CB 3.43Å; F361-M365 WeakPolarHBondContact O-CG 3.45Å; F361-M365 PolarHBondContact O-N 3.14Å
362L79.3Confident80.7Confident49 Ų4956.3 Ų56.326%0.25727%0.274SS..Hα-helixtrans-71.2-36.8177.8-69.8172.1000112.6L358 S359 T360 T364 M365 V366 F578L358-L362 WeakPolarHBondContact O-CB 3.35Å; L358-L362 VanDerWaalsContact O-CG 3.29Å; L358-L362 WeakPolarHBondContact O-CG 3.37Å; L358-L362 PolarHBondContact O-N 2.93Å; S359-L362 PolarHBondContact O-N 2.76Å; T360-L362 VanDerWaalsContact C-N 3.35Å; T360-L362 PolarHBondContact O-N 3.39Å; L362-T364 VanDerWaalsContact C-N 3.33Å; L362-T364 PolarHBondContact O-N 2.82Å; L362-M365 PolarHBondContact O-N 3.36Å; L362-V366 WeakPolarHBondContact O-CB 3.29Å; L362-V366 VanDerWaalsContact O-CG2 3.22Å; L362-V366 WeakPolarHBondContact O-CG2 3.09Å; L362-V366 PolarHBondContact O-N 3.43Å; L362-F578 HydrophobicContact CD1-CD2 3.76Å; L362-F578 HydrophobicContact CD1-CE1 3.9Å; L362-F578 HydrophobicContact CD1-CE2 2.98Å; L362-F578 HydrophobicContact CD1-CZ 3.06Å; L362-F578 HydrophobicContact CG-CE2 4.44Å
363A79.1Confident79.6Confident9 Ų956.6 Ų56.67%0.07428%0.277CS..Hα-helixtrans-59.7-44.217200000111.4K313 S359 T360 V366 I367K313-A363 HydrophobicContact CD-CB 4.39Å; S359-A363 WeakPolarHBondContact O-CB 3.46Å; S359-A363 PolarHBondContact O-N 3.33Å; T360-A363 PolarHBondContact O-N 2.97Å; A363-V366 PolarHBondContact O-N 3Å; A363-I367 VanDerWaalsContact O-CG1 3.26Å; A363-I367 WeakPolarHBondContact O-CG1 3.06Å; A363-I367 PolarHBondContact O-N 2.74Å
364T82.9Confident78.2Confident46 Ų4660.4 Ų60.428%0.28230%0.298SS..Hα-helixtrans-67.2-41176.656.10000112.5M314 T360 F361 L362 V366 I367 H368M314-T364 HydrophobicContact CG-CG2 4.24Å; M314-T364 HydrophobicContact SD-CG2 3.7Å; T360-T364 WeakPolarHBondContact O-CG2 3.15Å; T360-T364 PolarHBondContact O-N 2.89Å; T360-T364 PolarHBondContact O-OG1 3.06Å; F361-T364 WeakPolarHBondContact CA-OG1 3.41Å; F361-T364 PolarHBondContact O-N 3.35Å; F361-T364 PolarHBondContact O-OG1 2.98Å; L362-T364 VanDerWaalsContact C-N 3.33Å; L362-T364 PolarHBondContact O-N 2.82Å; T364-V366 VanDerWaalsContact C-N 3.34Å; T364-V366 PolarHBondContact O-N 3.47Å; T364-I367 PolarHBondContact O-N 3.41Å; T364-H368 WeakPolarHBondContact O-CB 3.4Å; T364-H368 PolarHBondContact O-N 3.42Å
365M78.6Confident76.7Confident75 Ų7566.5 Ų66.537%0.36932%0.315SS..Hα-helixtrans-60-43.5172.9-77.1-66.7106.300111.9F361 L362 H368 L369F361-M365 HydrophobicContact CD1-CG 4.18Å; F361-M365 HydrophobicContact CE1-CG 3.75Å; F361-M365 HydrophobicContact CE2-CE 4.24Å; F361-M365 HydrophobicContact CE2-CG 4.25Å; F361-M365 HydrophobicContact CZ-CE 4.34Å; F361-M365 HydrophobicContact CZ-CG 3.79Å; F361-M365 HydrophobicContact CZ-SD 4.13Å; F361-M365 WeakPolarHBondContact O-CB 3.43Å; F361-M365 WeakPolarHBondContact O-CG 3.45Å; F361-M365 PolarHBondContact O-N 3.14Å; L362-M365 PolarHBondContact O-N 3.36Å; M365-H368 PolarHBondContact O-N 3.08Å; M365-L369 WeakPolarHBondContact O-CB 3.29Å; M365-L369 VanDerWaalsContact O-CG 3.24Å; M365-L369 WeakPolarHBondContact O-CG 3.47Å; M365-L369 PolarHBondContact O-N 3.12Å
366V74.1Confident75.2Confident23 Ų2373 Ų7314%0.13934%0.343CS..Hα-helixtrans-61.4-47175.6160.80000111.2L362 A363 T364 H368 L369 Y370 A571L362-V366 WeakPolarHBondContact O-CB 3.29Å; L362-V366 VanDerWaalsContact O-CG2 3.22Å; L362-V366 WeakPolarHBondContact O-CG2 3.09Å; L362-V366 PolarHBondContact O-N 3.43Å; A363-V366 PolarHBondContact O-N 3Å; T364-V366 VanDerWaalsContact C-N 3.34Å; T364-V366 PolarHBondContact O-N 3.47Å; V366-H368 VanDerWaalsContact C-N 3.31Å; V366-H368 PolarHBondContact O-N 2.97Å; V366-L369 PolarHBondContact O-N 3.21Å; V366-Y370 VanDerWaalsContact O-CB 3.32Å; V366-Y370 WeakPolarHBondContact O-CB 3.45Å; V366-Y370 PolarHBondContact O-N 3.13Å; V366-A571 HydrophobicContact CB-CB 4.38Å; V366-A571 HydrophobicContact CG1-CB 3.32Å; V366-A571 HydrophobicContact CG2-CB 4.19Å
367I77.1Confident73.9Confident48 Ų4875.3 Ų75.325%0.24637%0.369CS..Hα-helixtrans-61.3-43.5177.6-69.3165.7000110P308 A363 T364 L369 Y370 F371P308-I367 WeakPolarHBondContact O-CD1 3.46Å; A363-I367 VanDerWaalsContact O-CG1 3.26Å; A363-I367 WeakPolarHBondContact O-CG1 3.06Å; A363-I367 PolarHBondContact O-N 2.74Å; T364-I367 PolarHBondContact O-N 3.41Å; I367-L369 PolarHBondContact O-N 3.37Å; I367-Y370 WeakPolarHBondContact O-CB 3.46Å; I367-Y370 PolarHBondContact O-N 3.04Å; I367-F371 HydrophobicContact CG2-CD2 3.68Å; I367-F371 HydrophobicContact CG2-CE2 3.56Å; I367-F371 VanDerWaalsContact O-CD2 3.27Å; I367-F371 WeakPolarHBondContact O-CD2 3.41Å; I367-F371 PolarHBondContact O-N 2.96Å
368H79Confident72.7Confident103 Ų10375.4 Ų75.448%0.47738%0.375SS..Hα-helixtrans-60.4-45176.4-176.176.6000111.9T364 M365 V366 R372T364-H368 WeakPolarHBondContact O-CB 3.4Å; T364-H368 PolarHBondContact O-N 3.42Å; M365-H368 PolarHBondContact O-N 3.08Å; V366-H368 VanDerWaalsContact C-N 3.31Å; V366-H368 PolarHBondContact O-N 2.97Å; H368-R372 VanDerWaalsContact O-CB 3.24Å; H368-R372 WeakPolarHBondContact O-CB 3.44Å; H368-R372 PolarHBondContact O-N 3.43Å
369L73.8Confident71.8Confident64 Ų6472.2 Ų72.234%0.33536%0.359SS..Hα-helixtrans-68.5-34.1177.1-69.6173.3000112.5M365 V366 I367 R372 G373 W567M365-L369 WeakPolarHBondContact O-CB 3.29Å; M365-L369 VanDerWaalsContact O-CG 3.24Å; M365-L369 WeakPolarHBondContact O-CG 3.47Å; M365-L369 PolarHBondContact O-N 3.12Å; V366-L369 PolarHBondContact O-N 3.21Å; I367-L369 PolarHBondContact O-N 3.37Å; L369-R372 PolarHBondContact O-N 3.21Å; L369-G373 WeakPolarHBondContact O-CA 3.16Å; L369-G373 PolarHBondContact O-N 3.35Å; L369-W567 HydrophobicContact CB-CE3 4.14Å; L369-W567 HydrophobicContact CB-CH2 4.23Å; L369-W567 HydrophobicContact CB-CZ3 3.95Å; L369-W567 HydrophobicContact CD1-CH2 4.03Å; L369-W567 HydrophobicContact CD1-CZ3 3.7Å; L369-W567 HydrophobicContact CD2-CH2 4.46Å; L369-W567 HydrophobicContact CG-CH2 4.48Å; L369-W567 HydrophobicContact CG-CZ3 4.36Å
370Y71.8Confident71.1Confident68 Ų6875.2 Ų75.227%0.26738%0.378SS..Hα-helixtrans-61.4-52.4174.2174-93.1000111.1V366 I367 R372 G373 D374 A564 R568V366-Y370 VanDerWaalsContact O-CB 3.32Å; V366-Y370 WeakPolarHBondContact O-CB 3.45Å; V366-Y370 PolarHBondContact O-N 3.13Å; I367-Y370 WeakPolarHBondContact O-CB 3.46Å; I367-Y370 PolarHBondContact O-N 3.04Å; Y370-R372 VanDerWaalsContact C-N 3.32Å; Y370-R372 PolarHBondContact O-N 3.43Å; Y370-G373 PolarHBondContact O-N 3.34Å; Y370-D374 PolarHBondContact O-N 3.3Å; Y370-A564 HydrophobicContact CE2-CB 3.83Å; Y370-R568 HydrophobicContact CD2-CG 4.46Å; Y370-R568 HydrophobicContact CE2-CG 4.19Å; Y370-R568 PolarHBondContact OH-NH2 2.97Å
371F72.8Confident70.4Confident140 Ų14081.3 Ų81.361%0.61440%0.399SS*.Hα-helixtrans-66.3-32.8177.3-76.1-64.2000112.9I367I367-F371 HydrophobicContact CG2-CD2 3.68Å; I367-F371 HydrophobicContact CG2-CE2 3.56Å; I367-F371 VanDerWaalsContact O-CD2 3.27Å; I367-F371 WeakPolarHBondContact O-CD2 3.41Å; I367-F371 PolarHBondContact O-N 2.96Å
372R69.7Low69.6Low136 Ų13683.1 Ų83.151%0.51341%0.407SS..Hα-helixtrans-75.2-32.5176-173.2174.6174149.1-3.4112.8H368 L369 Y370 D374 R375 K376H368-R372 VanDerWaalsContact O-CB 3.24Å; H368-R372 WeakPolarHBondContact O-CB 3.44Å; H368-R372 PolarHBondContact O-N 3.43Å; L369-R372 PolarHBondContact O-N 3.21Å; Y370-R372 VanDerWaalsContact C-N 3.32Å; Y370-R372 PolarHBondContact O-N 3.43Å; R372-D374 PolarHBondContact O-N 3.07Å; R372-R375 PolarHBondContact O-N 3.35Å; R372-K376 PolarHBondContact O-N 2.97Å
373G60.5Low69Low9 Ų984 Ų849%0.09341%0.412CS..Hα-helixtrans-64.2-25.4178.200000113.3L369 Y370 R375L369-G373 WeakPolarHBondContact O-CA 3.16Å; L369-G373 PolarHBondContact O-N 3.35Å; Y370-G373 PolarHBondContact O-N 3.34Å; G373-R375 PolarHBondContact O-N 3.04Å
374D60.4Low68.6Low102 Ų10286.4 Ų86.455%0.54542%0.419SS..THydrogen-bonded Turntrans-61-20.8169-167.838.6000112.5Y370 R372Y370-D374 PolarHBondContact O-N 3.3Å; R372-D374 PolarHBondContact O-N 3.07Å
375R57.2Low67.9Low220 Ų22091 Ų9183%0.8343%0.431SS*.THydrogen-bonded Turntrans-110.9-27.6-176.9-60-173-176.7-176.91.3115.5R372 G373R372-R375 PolarHBondContact O-N 3.35Å; G373-R375 PolarHBondContact O-N 3.04Å
376K52.5Low67.6Low155 Ų15591.3 Ų91.367%0.67443%0.433SS*.SBendtrans-135.5103.1-178.9-66.8-173.9179.3-176.10109.3R372R372-K376 PolarHBondContact O-N 2.97Å
377G57.9Low67.3Low56 Ų5690.8 Ų90.858%0.57743%0.43SS*.  trans-62.3165.2-161.500000117.9
378A63.7Low66.8Low57 Ų5790 Ų9047%0.47143%0.425SS..SBendtrans48.8137172.900000117.7
379V66.1Low66.1Low11 Ų1189.7 Ų89.77%0.06742%0.424CS..  trans-55.7133171.4-178.70000109.2Y381 L383 R384 E566 W567 L570V379-Y381 PolarHBondContact O-N 3.32Å; V379-L383 HydrophobicContact CG1-CB 3.88Å; V379-R384 HydrophobicContact CG1-CB 4.12Å; V379-E566 HydrophobicContact CG2-CB 4Å; V379-W567 HydrophobicContact CB-CZ2 4.48Å; V379-W567 HydrophobicContact CG2-CD2 4.07Å; V379-W567 HydrophobicContact CG2-CG 4.38Å; V379-W567 HydrophobicContact CG2-CZ2 4.2Å; V379-L570 HydrophobicContact CB-CD1 4.14Å; V379-L570 HydrophobicContact CG1-CD1 3.49Å; V379-L570 VanDerWaalsContact CG1-CD1 3.49Å; V379-L570 HydrophobicContact CG2-CD1 3.49Å; V379-L570 VanDerWaalsContact CG2-CD1 3.49Å
380P69.3Low65.9Low67 Ų6788.7 Ų88.744%0.43543%0.429SS..  trans-52.3131.4173.1-25.634.5000110.7F382 L383 R384P380-F382 PolarHBondContact O-N 3.08Å; P380-L383 HydrophobicContact CB-CB 4.44Å; P380-L383 HydrophobicContact CB-CD1 4.03Å; P380-L383 HydrophobicContact CG-CD1 3.77Å; P380-L383 WeakPolarHBondContact O-CB 3.11Å; P380-L383 PolarHBondContact O-N 3.31Å; P380-R384 PolarHBondContact O-N 2.85Å
381Y67.1Low65.7Low156 Ų15687.1 Ų87.161%0.61243%0.425SS*.Hα-helixtrans-52.4-36.2-172.9178.2-101.9000113.3V379 R384 R385V379-Y381 PolarHBondContact O-N 3.32Å; Y381-R384 WeakPolarHBondContact O-CB 3.46Å; Y381-R384 PolarHBondContact O-N 3.42Å; Y381-R385 PolarHBondContact O-N 3.05Å
382F68.5Low65.3Low152 Ų15280.9 Ų80.967%0.66740%0.4SS*.Hα-helixtrans-63.1-49.4175.9179.9-102.7000113.1P380 R384 R385 I386P380-F382 PolarHBondContact O-N 3.08Å; F382-R384 VanDerWaalsContact C-N 3.31Å; F382-R384 PolarHBondContact O-N 3.35Å; F382-R385 PolarHBondContact O-N 3.46Å; F382-I386 HydrophobicContact CD1-CD1 4.07Å; F382-I386 HydrophobicContact CD2-CD1 4.26Å; F382-I386 HydrophobicContact CE1-CD1 3.42Å; F382-I386 VanDerWaalsContact CE1-CD1 3.42Å; F382-I386 HydrophobicContact CE2-CD1 3.64Å; F382-I386 HydrophobicContact CE2-CG1 4.45Å; F382-I386 HydrophobicContact CG-CD1 4.46Å; F382-I386 HydrophobicContact CZ-CD1 3.19Å; F382-I386 HydrophobicContact CZ-CG1 4.39Å; F382-I386 PolarHBondContact O-N 3.11Å; F382-I386 VanDerWaalsContact O-N 3.12Å
383L67.9Low65.1Low68 Ų6884.1 Ų84.136%0.35641%0.413SS..Hα-helixtrans-59.8-42.9176.2-89.9152.2000111.2V379 P380 R385 I387V379-L383 HydrophobicContact CG1-CB 3.88Å; P380-L383 HydrophobicContact CB-CB 4.44Å; P380-L383 HydrophobicContact CB-CD1 4.03Å; P380-L383 HydrophobicContact CG-CD1 3.77Å; P380-L383 WeakPolarHBondContact O-CB 3.11Å; P380-L383 PolarHBondContact O-N 3.31Å; L383-R385 VanDerWaalsContact C-N 3.32Å; L383-R385 PolarHBondContact O-N 3.3Å; L383-I387 HydrophobicContact CD2-CD1 3.77Å; L383-I387 WeakPolarHBondContact O-CB 3.47Å; L383-I387 WeakPolarHBondContact O-CG1 3.43Å; L383-I387 PolarHBondContact O-N 3.27Å; L383-I387 VanDerWaalsContact O-N 3.08Å
384R69.4Low65.3Low59 Ų5990 Ų9022%0.22344%0.441CS..Hα-helixtrans-57.9-44.8176.5-167.4-171.5-177.8-157.36.9111.5V379 P380 Y381 F382 I388V379-R384 HydrophobicContact CG1-CB 4.12Å; P380-R384 PolarHBondContact O-N 2.85Å; Y381-R384 WeakPolarHBondContact O-CB 3.46Å; Y381-R384 PolarHBondContact O-N 3.42Å; F382-R384 VanDerWaalsContact C-N 3.31Å; F382-R384 PolarHBondContact O-N 3.35Å; R384-I388 HydrophobicContact CG-CD1 3.6Å; R384-I388 HydrophobicContact CG-CG1 4.27Å; R384-I388 WeakPolarHBondContact O-CA 3.33Å; R384-I388 WeakPolarHBondContact O-CB 3.33Å; R384-I388 WeakPolarHBondContact O-CG1 3.44Å; R384-I388 PolarHBondContact O-N 3Å
385R68.7Low65.5Low141 Ų14185.2 Ų85.253%0.53242%0.416SS..Iπ-helixtrans-67.8-50.7-177.2-156.7179.8-174.1-179.9-5.6112.2Y381 F382 L383 I387 E389 G390Y381-R385 PolarHBondContact O-N 3.05Å; F382-R385 PolarHBondContact O-N 3.46Å; L383-R385 VanDerWaalsContact C-N 3.32Å; L383-R385 PolarHBondContact O-N 3.3Å; R385-I387 PolarHBondContact O-N 3.35Å; R385-E389 HydrophobicContact CG-CG 4.33Å; R385-E389 WeakPolarHBondContact CG-OE2 3.26Å; R385-E389 IonicContact NE-OE2 2.77Å; R385-E389 PolarHBondContact NE-OE2 3.27Å; R385-E389 VanDerWaalsContact O-CB 3.26Å; R385-E389 WeakPolarHBondContact O-CB 3.11Å; R385-E389 PolarHBondContact O-N 3.4Å; R385-E389 VanDerWaalsContact O-N 3.08Å; R385-G390 PolarHBondContact O-N 3.5Å
386I73.1Confident65.7Low83 Ų8382 Ų8243%0.42641%0.414SS..Iπ-helixtrans-61.6-47.6-178.1-69.7180000110.9F382 G390 I391F382-I386 HydrophobicContact CD1-CD1 4.07Å; F382-I386 HydrophobicContact CD2-CD1 4.26Å; F382-I386 HydrophobicContact CE1-CD1 3.42Å; F382-I386 VanDerWaalsContact CE1-CD1 3.42Å; F382-I386 HydrophobicContact CE2-CD1 3.64Å; F382-I386 HydrophobicContact CE2-CG1 4.45Å; F382-I386 HydrophobicContact CG-CD1 4.46Å; F382-I386 HydrophobicContact CZ-CD1 3.19Å; F382-I386 HydrophobicContact CZ-CG1 4.39Å; F382-I386 PolarHBondContact O-N 3.11Å; F382-I386 VanDerWaalsContact O-N 3.12Å; I386-G390 WeakPolarHBondContact O-CA 3.33Å; I386-G390 PolarHBondContact O-N 2.97Å; I386-I391 HydrophobicContact CG2-CD1 4.37Å; I386-I391 PolarHBondContact O-N 3.33Å; I386-I391 VanDerWaalsContact O-N 3.11Å
387I66.5Low66.2Low12 Ų1276 Ų766%0.06239%0.39CS..Iπ-helixtrans-83.1-44.5-171.5-58.8171.9000111.4L383 R385 I391 G392 L570 V573 L574L383-I387 HydrophobicContact CD2-CD1 3.77Å; L383-I387 WeakPolarHBondContact O-CB 3.47Å; L383-I387 WeakPolarHBondContact O-CG1 3.43Å; L383-I387 PolarHBondContact O-N 3.27Å; L383-I387 VanDerWaalsContact O-N 3.08Å; R385-I387 PolarHBondContact O-N 3.35Å; I387-I391 HydrophobicContact CG1-CD1 4.26Å; I387-I391 CarbonylContact O-C 3.47Å; I387-I391 PolarHBondContact O-N 3.36Å; I387-G392 PolarHBondContact O-N 2.87Å; I387-L570 HydrophobicContact CB-CD2 3.61Å; I387-L570 HydrophobicContact CD1-CD2 4.08Å; I387-L570 HydrophobicContact CG1-CD2 4.44Å; I387-L570 HydrophobicContact CG2-CD2 3.46Å; I387-L570 VanDerWaalsContact CG2-CD2 3.46Å; I387-V573 HydrophobicContact CG2-CB 4.04Å; I387-V573 HydrophobicContact CG2-CG1 3.6Å; I387-L574 HydrophobicContact CD1-CD1 4.28Å; I387-L574 HydrophobicContact CD1-CD2 4.1Å; I387-L574 HydrophobicContact CD1-CG 4.32Å; I387-L574 HydrophobicContact CG1-CD2 4.45Å
388I66.4Low66Low30 Ų3084.4 Ų84.415%0.15441%0.405CS..Iπ-helixtrans-83.2-43.5-174.4-52.6-175.3000111.8R384 L570R384-I388 HydrophobicContact CG-CD1 3.6Å; R384-I388 HydrophobicContact CG-CG1 4.27Å; R384-I388 WeakPolarHBondContact O-CA 3.33Å; R384-I388 WeakPolarHBondContact O-CB 3.33Å; R384-I388 WeakPolarHBondContact O-CG1 3.44Å; R384-I388 PolarHBondContact O-N 3Å; I388-L570 HydrophobicContact CD1-CD2 4.11Å; I388-L570 HydrophobicContact CG1-CD2 3.69Å
389E65.8Low65.4Low98 Ų9886.8 Ų86.846%0.45841%0.406SS..Iπ-helixtrans-81.5-37.1-179.2-58.4-177.117200112.1R385 R393R385-E389 HydrophobicContact CG-CG 4.33Å; R385-E389 WeakPolarHBondContact CG-OE2 3.26Å; R385-E389 IonicContact NE-OE2 2.77Å; R385-E389 PolarHBondContact NE-OE2 3.27Å; R385-E389 VanDerWaalsContact O-CB 3.26Å; R385-E389 WeakPolarHBondContact O-CB 3.11Å; R385-E389 PolarHBondContact O-N 3.4Å; R385-E389 VanDerWaalsContact O-N 3.08Å; E389-R393 WeakPolarHBondContact O-CD 3.48Å
390G68.6Low64.7Low43 Ų4398 Ų9844%0.44345%0.447SS..Iπ-helixtrans-84.8-77.4178.500000112.7R385 I386 G392 R393R385-G390 PolarHBondContact O-N 3.5Å; I386-G390 WeakPolarHBondContact O-CA 3.33Å; I386-G390 PolarHBondContact O-N 2.97Å; G390-G392 PolarHBondContact O-N 2.98Å; G390-R393 PolarHBondContact O-N 3.46Å
391I68.8Low63.8Low34 Ų3497.6 Ų97.617%0.17444%0.441CS..Iπ-helixtrans-66.4-37.3-170.5-63.3160.2000112.1I386 I387 R393 L394 T395 V573 L577I386-I391 HydrophobicContact CG2-CD1 4.37Å; I386-I391 PolarHBondContact O-N 3.33Å; I386-I391 VanDerWaalsContact O-N 3.11Å; I387-I391 HydrophobicContact CG1-CD1 4.26Å; I387-I391 CarbonylContact O-C 3.47Å; I387-I391 PolarHBondContact O-N 3.36Å; I391-R393 PolarHBondContact O-N 3.31Å; I391-L394 CarbonylContact O-C 3.56Å; I391-L394 WeakPolarHBondContact O-CA 3.34Å; I391-L394 VanDerWaalsContact O-CB 3.3Å; I391-L394 WeakPolarHBondContact O-CB 3.24Å; I391-L394 PolarHBondContact O-N 3.48Å; I391-T395 HydrophobicContact CG2-CG2 3.68Å; I391-T395 PolarHBondContact O-N 3.48Å; I391-T395 PolarHBondContact O-OG1 2.94Å; I391-V573 HydrophobicContact CB-CG1 4.06Å; I391-V573 HydrophobicContact CG2-CG1 3.52Å; I391-L577 HydrophobicContact CD1-CD2 4Å; I391-L577 HydrophobicContact CG1-CD2 4.44Å; I391-L577 HydrophobicContact CG2-CB 4.1Å; I391-L577 HydrophobicContact CG2-CD1 4.18Å; I391-L577 HydrophobicContact CG2-CD2 4.03Å; I391-L577 HydrophobicContact CG2-CG 4.34Å
392G63.6Low62.7Low9 Ų995.7 Ų95.79%0.09345%0.448CS..Hα-helixtrans-59.6-32.8-178.200000113.8I387 G390 V397I387-G392 PolarHBondContact O-N 2.87Å; G390-G392 PolarHBondContact O-N 2.98Å; G392-V397 PolarHBondContact O-N 2.89Å
393R65Low61.7Low205 Ų20592.7 Ų92.777%0.77444%0.438SS*.Hα-helixtrans-69.7-39.7171.8-68.6-172.9-171.3-161.63111.7E389 G390 I391E389-R393 WeakPolarHBondContact O-CD 3.48Å; G390-R393 PolarHBondContact O-N 3.46Å; I391-R393 PolarHBondContact O-N 3.31Å
394L65.1Low60.7Low132 Ų13293.7 Ų93.769%0.69145%0.451SS*.Hα-helixtrans-67.7-41.9179.1-166.574.9000111.6I391 L396I391-L394 CarbonylContact O-C 3.56Å; I391-L394 WeakPolarHBondContact O-CA 3.34Å; I391-L394 VanDerWaalsContact O-CB 3.3Å; I391-L394 WeakPolarHBondContact O-CB 3.24Å; I391-L394 PolarHBondContact O-N 3.48Å; L394-L396 VanDerWaalsContact C-N 3.26Å; L394-L396 PolarHBondContact O-N 2.96Å
395T64.2Low59.3Low2 Ų295.1 Ų95.11%0.01246%0.463CS..THydrogen-bonded Turntrans-83.810.6-176.959.60000114.3I391 V397 R576 L577 F580I391-T395 HydrophobicContact CG2-CG2 3.68Å; I391-T395 PolarHBondContact O-N 3.48Å; I391-T395 PolarHBondContact O-OG1 2.94Å; T395-V397 PolarHBondContact O-N 3.41Å; T395-R576 HydrophobicContact CG2-CB 4.44Å; T395-L577 HydrophobicContact CG2-CB 4.05Å; T395-F580 HydrophobicContact CG2-CD2 4.4Å; T395-F580 HydrophobicContact CG2-CE2 4.49Å
396L62.3Low58.3Low151 Ų15192.7 Ų92.779%0.79146%0.463SS*.THydrogen-bonded Turntrans51.828-178.8-65.5167.4000114.4L394 R398L394-L396 VanDerWaalsContact C-N 3.26Å; L394-L396 PolarHBondContact O-N 2.96Å; L396-R398 PolarHBondContact O-N 2.86Å
397V62.5Low56.4Low29 Ų2997.4 Ų97.418%0.17648%0.481CS..  trans-79.796177.2176.20000107.7G392 T395 Q399 V573G392-V397 PolarHBondContact O-N 2.89Å; T395-V397 PolarHBondContact O-N 3.41Å; V397-Q399 PolarHBondContact O-N 3.27Å; V397-V573 HydrophobicContact CB-CG2 4.03Å; V397-V573 HydrophobicContact CG1-CG2 4.07Å; V397-V573 HydrophobicContact CG2-CG2 3.98Å
398R53Low54.9Low234 Ų234100.1 Ų100.188%0.88350%0.495SS*.  trans-59.1110.2173-167.2172.3-173.7158.40.9108.3L396 R400L396-R398 PolarHBondContact O-N 2.86Å; R398-R400 PolarHBondContact O-N 2.94Å
399Q52.2Low53.8Low107 Ų107102 Ų10250%0.551%0.511SS..  trans-51.7110.4176.1-70.7173.1-27.500109.3V397V397-Q399 PolarHBondContact O-N 3.27Å
400R50.7Low52.3Low246 Ų246104.4 Ų104.493%0.92852%0.52SS*.SBendtrans-77.4-6.8165.9-75.3-166.4-166.3-160.54.9112.2R398R398-R400 PolarHBondContact O-N 2.94Å
401I51.1Low50.7Low58 Ų58111.4 Ų111.430%0.29753%0.533SS..SBendtrans-114110.5-173.8-52164.4000108.5L403 M565I401-L403 PolarHBondContact O-N 2.78Å; I401-M565 HydrophobicContact CD1-CB 4.38Å
402P44.3Very low49.2Very low117 Ų117114.9 Ų114.976%0.7655%0.552SS**  trans-62.4128.4169.224.8-30.7000109.1S404P402-S404 PolarHBondContact O-N 3.37Å; P402-S404 VanDerWaalsContact O-N 3.16Å
403L45.9Very low48.4Very low89 Ų89118.6 Ų118.647%0.46657%0.573SS.*  trans-50.8121.3167.7-73.8152.9000108I401 D405I401-L403 PolarHBondContact O-N 2.78Å; L403-D405 VanDerWaalsContact C-N 3.29Å; L403-D405 PolarHBondContact O-N 2.84Å
404S47.3Very low47.3Very low89 Ų89116 Ų11662%0.62257%0.567SS**  trans-64.9103.615752.50000105.8P402 V406P402-S404 PolarHBondContact O-N 3.37Å; P402-S404 VanDerWaalsContact O-N 3.16Å; S404-V406 VanDerWaalsContact C-N 3.32Å; S404-V406 PolarHBondContact O-N 2.75Å
405D40.4Very low46.5Very low89 Ų89112.2 Ų112.248%0.47656%0.555SS.*  trans-55.6101.6171.1-90.4-31.3000107.4L403 K407 N408 S409L403-D405 VanDerWaalsContact C-N 3.29Å; L403-D405 PolarHBondContact O-N 2.84Å; D405-K407 PolarHBondContact O-N 3.12Å; D405-K407 VanDerWaalsContact O-N 3.16Å; D405-N408 HydrophobicContact CB-CB 3.76Å; D405-N408 CarbonylContact O-C 3.59Å; D405-N408 WeakPolarHBondContact O-CA 3.39Å; D405-N408 PolarHBondContact O-N 3.34Å; D405-N408 PolarHBondContact OD2-ND2 3.38Å; D405-S409 PolarHBondContact O-N 3.3Å
406V47.5Very low45.5Very low90 Ų90120 Ų12055%0.54559%0.589SS.*Hα-helixtrans-58.3-27.4170.5176.80000109.3S404 S409 K410S404-V406 VanDerWaalsContact C-N 3.32Å; S404-V406 PolarHBondContact O-N 2.75Å; V406-S409 PolarHBondContact O-N 2.68Å; V406-K410 PolarHBondContact O-N 3.41Å
407K33.5Very low44.4Very low182 Ų182121 Ų12179%0.79158%0.583SS**Hα-helixtrans-59.2-42.4169-93.8-175.9174.7178.70112.3D405 R411D405-K407 PolarHBondContact O-N 3.12Å; D405-K407 VanDerWaalsContact O-N 3.16Å; K407-R411 WeakPolarHBondContact O-CB 3.41Å; K407-R411 PolarHBondContact O-N 3.02Å
408N35.6Very low43.1Very low69 Ų69125.3 Ų125.337%0.36960%0.601SS.*Hα-helixtrans-81.3-23.6177-71.2-21.4000113D405 R411 N412D405-N408 HydrophobicContact CB-CB 3.76Å; D405-N408 CarbonylContact O-C 3.59Å; D405-N408 WeakPolarHBondContact O-CA 3.39Å; D405-N408 PolarHBondContact O-N 3.34Å; D405-N408 PolarHBondContact OD2-ND2 3.38Å; N408-R411 PolarHBondContact O-N 3.35Å; N408-N412 WeakPolarHBondContact O-CA 3.29Å; N408-N412 WeakPolarHBondContact O-CB 3.24Å; N408-N412 PolarHBondContact O-N 2.62Å; N408-N412 PolarHBondContact O-ND2 3.13Å
409S42.6Very low42.4Very low70 Ų70121 Ų12149%0.4959%0.589SS.*Hα-helixtrans-67.6-44.3169.5-172.70000111.1D405 V406 N412 V413D405-S409 PolarHBondContact O-N 3.3Å; V406-S409 PolarHBondContact O-N 2.68Å; S409-N412 PolarHBondContact O-N 3.48Å; S409-V413 VanDerWaalsContact O-CB 3.24Å; S409-V413 WeakPolarHBondContact O-CB 3.32Å; S409-V413 WeakPolarHBondContact O-CG2 3.27Å; S409-V413 PolarHBondContact O-N 3.5Å
410K33.7Very low41.6Very low148 Ų148123.8 Ų123.864%0.64360%0.599SS**Hα-helixtrans-63.9-42.1171.1-73.1-170.4179.5-175.80111.3V406 F414V406-K410 PolarHBondContact O-N 3.41Å; K410-F414 VanDerWaalsContact O-CB 3.22Å; K410-F414 WeakPolarHBondContact O-CB 3.34Å; K410-F414 WeakPolarHBondContact O-CD2 3.18Å; K410-F414 PolarHBondContact O-N 2.89Å
411R34.7Very low41Very low189 Ų189114.9 Ų114.971%0.71357%0.573SS**Hα-helixtrans-65.7-36.4176.6-122.3175.3-175.7164.7-0.3113.4K407 N408 A415K407-R411 WeakPolarHBondContact O-CB 3.41Å; K407-R411 PolarHBondContact O-N 3.02Å; N408-R411 PolarHBondContact O-N 3.35Å; R411-A415 WeakPolarHBondContact O-CA 3.22Å; R411-A415 WeakPolarHBondContact O-CB 3.32Å; R411-A415 PolarHBondContact O-N 3.07Å
412N37.9Very low40.2Very low108 Ų108116.5 Ų116.558%0.57858%0.581SS**Hα-helixtrans-82.8-29.6179.6-73.4-15.9000112.5N408 S409 K416N408-N412 WeakPolarHBondContact O-CA 3.29Å; N408-N412 WeakPolarHBondContact O-CB 3.24Å; N408-N412 PolarHBondContact O-N 2.62Å; N408-N412 PolarHBondContact O-ND2 3.13Å; S409-N412 PolarHBondContact O-N 3.48Å; N412-K416 VanDerWaalsContact O-CB 3.24Å; N412-K416 WeakPolarHBondContact O-CB 3.44Å; N412-K416 PolarHBondContact O-N 2.91Å
413V47.6Very low39.9Very low86 Ų86116.1 Ų116.152%0.52157%0.572SS.*Hα-helixtrans-70.9-44.6168.6172.60000109.6S409 K416 Y417S409-V413 VanDerWaalsContact O-CB 3.24Å; S409-V413 WeakPolarHBondContact O-CB 3.32Å; S409-V413 WeakPolarHBondContact O-CG2 3.27Å; S409-V413 PolarHBondContact O-N 3.5Å; V413-K416 PolarHBondContact O-N 3.31Å; V413-Y417 WeakPolarHBondContact O-CB 3.43Å; V413-Y417 PolarHBondContact O-N 3.48Å
414F42.2Very low39.5Very low151 Ų151116 Ų11666%0.66258%0.578SS**Hα-helixtrans-62.7-42.2171.1-96.6-91.8000111.7K410 Y417 H418K410-F414 VanDerWaalsContact O-CB 3.22Å; K410-F414 WeakPolarHBondContact O-CB 3.34Å; K410-F414 WeakPolarHBondContact O-CD2 3.18Å; K410-F414 PolarHBondContact O-N 2.89Å; F414-Y417 PolarHBondContact O-N 3.46Å; F414-H418 WeakPolarHBondContact O-CB 3.25Å; F414-H418 PolarHBondContact O-N 3.13Å
415A46.7Very low38.9Very low52 Ų52118.4 Ų118.443%0.4358%0.58SS.*Hα-helixtrans-69.2-31.8176.300000112.3R411 K419R411-A415 WeakPolarHBondContact O-CA 3.22Å; R411-A415 WeakPolarHBondContact O-CB 3.32Å; R411-A415 PolarHBondContact O-N 3.07Å; A415-K419 WeakPolarHBondContact O-CB 3.27Å; A415-K419 PolarHBondContact O-N 3.28Å
416K42.8Very low38.3Very low165 Ų165121 Ų12172%0.71759%0.592SS**Hα-helixtrans-69.6-38.3170.6-106.4179.6173.6172.20111.9N412 V413 K419 K420N412-K416 VanDerWaalsContact O-CB 3.24Å; N412-K416 WeakPolarHBondContact O-CB 3.44Å; N412-K416 PolarHBondContact O-N 2.91Å; V413-K416 PolarHBondContact O-N 3.31Å; K416-K419 PolarHBondContact O-N 3.05Å; K416-K420 WeakPolarHBondContact O-CB 3.26Å; K416-K420 PolarHBondContact O-N 3.38Å
417Y39.2Very low37.5Very low173 Ų173121 Ų12168%0.67860%0.596SS**Hα-helixtrans-65.4-47.1173.1-124.2-90.5000109.8V413 F414 K419 K420 T421V413-Y417 WeakPolarHBondContact O-CB 3.43Å; V413-Y417 PolarHBondContact O-N 3.48Å; F414-Y417 PolarHBondContact O-N 3.46Å; Y417-K419 VanDerWaalsContact C-N 3.31Å; Y417-K419 PolarHBondContact O-N 3.3Å; Y417-K420 CarbonylContact O-C 3.47Å; Y417-K420 PolarHBondContact O-N 2.88Å; Y417-K420 VanDerWaalsContact O-N 3.13Å; Y417-T421 PolarHBondContact O-N 3.39Å; Y417-T421 PolarHBondContact O-OG1 3.46Å
418H37.1Very low37.6Very low119 Ų119117.8 Ų117.855%0.55159%0.594SS**Hα-helixtrans-63.1-33.9175.9-125.4-73.2000113F414 T421 L422F414-H418 WeakPolarHBondContact O-CB 3.25Å; F414-H418 PolarHBondContact O-N 3.13Å; H418-T421 PolarHBondContact O-N 2.92Å; H418-L422 WeakPolarHBondContact O-CB 3.38Å; H418-L422 PolarHBondContact O-N 3.23Å
419K38Very low37.2Very low144 Ų144119.3 Ų119.363%0.62662%0.616SS**Hα-helixtrans-75-33.3175-165.1172.2-174.1176.50111.6A415 K416 Y417 I423A415-K419 WeakPolarHBondContact O-CB 3.27Å; A415-K419 PolarHBondContact O-N 3.28Å; K416-K419 PolarHBondContact O-N 3.05Å; Y417-K419 VanDerWaalsContact C-N 3.31Å; Y417-K419 PolarHBondContact O-N 3.3Å; K419-I423 HydrophobicContact CG-CD1 3.8Å; K419-I423 HydrophobicContact CG-CG1 4.38Å; K419-I423 VanDerWaalsContact O-CB 3.24Å; K419-I423 WeakPolarHBondContact O-CB 3.49Å; K419-I423 WeakPolarHBondContact O-CD1 3.3Å; K419-I423 WeakPolarHBondContact O-CG1 3.42Å; K419-I423 PolarHBondContact O-N 3.47Å
420K35Very low36.5Very low165 Ų165125 Ų12572%0.71763%0.632SS**Hα-helixtrans-66.7-39168.6-108.5-176.3173-1730111.5K416 Y417 S424K416-K420 WeakPolarHBondContact O-CB 3.26Å; K416-K420 PolarHBondContact O-N 3.38Å; Y417-K420 CarbonylContact O-C 3.47Å; Y417-K420 PolarHBondContact O-N 2.88Å; Y417-K420 VanDerWaalsContact O-N 3.13Å; K420-S424 WeakPolarHBondContact O-CB 3.41Å; K420-S424 PolarHBondContact O-N 2.92Å; K420-S424 PolarHBondContact O-OG 3.19Å; K420-S424 VanDerWaalsContact O-OG 3.14Å
421T38.5Very low36.2Very low60 Ų60124.1 Ų124.137%0.36864%0.639SS.*Hα-helixtrans-71.4-38.5176.6-48.40000111.9Y417 H418 S424 Q425Y417-T421 PolarHBondContact O-N 3.39Å; Y417-T421 PolarHBondContact O-OG1 3.46Å; H418-T421 PolarHBondContact O-N 2.92Å; T421-S424 WeakPolarHBondContact CA-OG 3Å; T421-S424 PolarHBondContact O-N 2.76Å; T421-S424 PolarHBondContact O-OG 3.42Å; T421-Q425 WeakPolarHBondContact O-CG 3.38Å; T421-Q425 PolarHBondContact O-N 2.92Å
422L34.8Very low35.8Very low92 Ų92125.1 Ų125.148%0.48265%0.648SS.*Hα-helixtrans-69.3-39.4173.9-112.589000112.1H418 S424 Q425 I426H418-L422 WeakPolarHBondContact O-CB 3.38Å; H418-L422 PolarHBondContact O-N 3.23Å; L422-S424 VanDerWaalsContact C-N 3.31Å; L422-Q425 PolarHBondContact O-N 3.21Å; L422-Q425 VanDerWaalsContact O-N 3.09Å; L422-I426 PolarHBondContact O-N 3.27Å
423I37.6Very low35.2Very low109 Ų109128.5 Ų128.556%0.55966%0.661SS**Hα-helixtrans-70.9-30.1177.1-66.9167.5000110.6K419 Q425 I426K419-I423 HydrophobicContact CG-CD1 3.8Å; K419-I423 HydrophobicContact CG-CG1 4.38Å; K419-I423 VanDerWaalsContact O-CB 3.24Å; K419-I423 WeakPolarHBondContact O-CB 3.49Å; K419-I423 WeakPolarHBondContact O-CD1 3.3Å; K419-I423 WeakPolarHBondContact O-CG1 3.42Å; K419-I423 PolarHBondContact O-N 3.47Å; I423-Q425 PolarHBondContact O-N 3.01Å; I423-I426 PolarHBondContact O-N 3.06Å
424S37.8Very low34.2Very low85 Ų85128.9 Ų128.959%0.59467%0.673SS**THydrogen-bonded Turntrans-72.9-12.8169.261.20000114.2K420 T421 L422K420-S424 WeakPolarHBondContact O-CB 3.41Å; K420-S424 PolarHBondContact O-N 2.92Å; K420-S424 PolarHBondContact O-OG 3.19Å; K420-S424 VanDerWaalsContact O-OG 3.14Å; T421-S424 WeakPolarHBondContact CA-OG 3Å; T421-S424 PolarHBondContact O-N 2.76Å; T421-S424 PolarHBondContact O-OG 3.42Å; L422-S424 VanDerWaalsContact C-N 3.31Å
425Q33Very low33.4Very low141 Ų141127.8 Ų127.866%0.65968%0.683SS**THydrogen-bonded Turntrans-96.4-4.8176.2-75.4-178.6-10.100113.5T421 L422 I423 S427T421-Q425 WeakPolarHBondContact O-CG 3.38Å; T421-Q425 PolarHBondContact O-N 2.92Å; L422-Q425 PolarHBondContact O-N 3.21Å; L422-Q425 VanDerWaalsContact O-N 3.09Å; I423-Q425 PolarHBondContact O-N 3.01Å; Q425-S427 VanDerWaalsContact C-N 3.29Å; Q425-S427 PolarHBondContact O-N 2.85Å
426I29.5Very low32.5Very low142 Ų142134.3 Ų134.373%0.72870%0.704SS**  trans-96.367.2168.6-59.3162.5000107.2L422 I423L422-I426 PolarHBondContact O-N 3.27Å; I423-I426 PolarHBondContact O-N 3.06Å
427S30.4Very low31.6Very low92 Ų92133.8 Ų133.864%0.64371%0.709SS**  trans-94.2133.9159.955.60000108.2Q425Q425-S427 VanDerWaalsContact C-N 3.29Å; Q425-S427 PolarHBondContact O-N 2.85Å
428P34.9Very low31Very low114 Ų114137.3 Ų137.374%0.7472%0.721SS**  trans-65.6139.3-168.726.6-33.2000111.4K430P428-K430 PolarHBondContact O-N 3.04Å
429A26.7Very low30.4Very low101 Ų101141.9 Ų141.984%0.83574%0.735SS**  trans-50.7102.5173.400000110.7
430K29.1Very low29.9Very low190 Ų190145.4 Ų145.483%0.82675%0.751SS**  trans-90.3103.8160.3-74.9-171.6177-174.60107.2P428 K432P428-K430 PolarHBondContact O-N 3.04Å; K430-K432 PolarHBondContact O-N 2.94Å; K430-K432 VanDerWaalsContact O-N 3.1Å
431T26.5Very low29.5Very low129 Ų129141.3 Ų141.379%0.79176%0.756SS**  trans-53.5111.5169.2-45.20000108.6Q433T431-Q433 PolarHBondContact O-N 3.3Å
432K26.8Very low28.8Very low209 Ų209142.4 Ų142.491%0.90978%0.779SS**  trans-68.8111.3167.8-75.4177.7175.3178.60107.3K430K430-K432 PolarHBondContact O-N 2.94Å; K430-K432 VanDerWaalsContact O-N 3.1Å
433Q25.5Very low28.5Very low180 Ų180142 Ų14284%0.84180%0.797SS**  trans-106.9122.3159.1-147.1154.90.300107.7T431 C435T431-Q433 PolarHBondContact O-N 3.3Å; Q433-C435 PolarHBondContact O-N 3.2Å
434A26.1Very low28Very low93 Ų93145.6 Ų145.677%0.76981%0.809SS**  trans-75.7116.6-170.100000110.5
435C25.8Very low27.4Very low129 Ų129151.4 Ų151.487%0.87282%0.824SS**  trans-101.7108.6160.4-69.90000107.5Q433Q433-C435 PolarHBondContact O-N 3.2Å
436Q26.5Very low27.2Very low188 Ų188149.6 Ų149.688%0.87982%0.824SS**  trans-79.8136.9174.8-83.4178.4-22.200110.6
437N25.4Very low26.9Very low154 Ų154151.2 Ų151.282%0.82483%0.829SS**  trans-72.5131.9173.3-70.9-26.8000110.8
438R25.8Very low26.8Very low248 Ų248152.1 Ų152.194%0.93683%0.834SS**  trans-135.7128155.9-131.6176.7-165.7168.83.7110.7
439Y23.8Very low26.5Very low215 Ų215153.8 Ų153.884%0.84384%0.836SS**  trans-67.3135.9177.1-78.8-103.6000111.2
440F28.3Very low26.6Very low217 Ų217155.8 Ų155.895%0.95283%0.833SS**  trans-165.9143.5131.1-103-75.3000108.6
441G26.2Very low26.5Very low80 Ų80152.7 Ų152.783%0.82583%0.833SS**  trans-68155.5-164.400000115.8
442G25.2Very low26.6Very low82 Ų82151.9 Ų151.985%0.84583%0.827SS**SBendtrans95.694.7162.600000115
443G27.1Very low26.6Very low84 Ų84148.3 Ų148.387%0.86682%0.818SS**  trans90128.3157.800000115.5
444F27Very low26.7Very low184 Ų184147.5 Ų147.581%0.80781%0.814SS**  trans-109.2110-167.6-143.9-87.6000109.9P446F444-P446 HydrophobicContact CE1-CG 4.48Å
445F25.7Very low26.9Very low208 Ų208148.2 Ų148.291%0.91281%0.81SS**  trans-154.697.1159-76-74.7000110.5
446P28.9Very low26.9Very low103 Ų103147.1 Ų147.167%0.66981%0.811SS**  trans-92.610816023.8-9.8000108.9F444F444-P446 HydrophobicContact CE1-CG 4.48Å
447Q23.5Very low26.7Very low176 Ų176144.5 Ų144.582%0.82281%0.812SS**  trans-81.6111.1171.3-166.8153.8-6.600108.6
448C27.9Very low26.6Very low111 Ų111140.2 Ų140.275%0.7580%0.804SS**  trans-120.1119.3165.1-70.70000107.6D450C448-D450 PolarHBondContact O-N 3.18Å
449N29.4Very low26.4Very low148 Ų148136 Ų13679%0.79180%0.8SS**  trans-70.4121.8-176.3-75.4-18.5000111.3
450D28Very low26.4Very low143 Ų143133 Ų13377%0.76579%0.794SS**  trans-73.6154.4167.9-65.9-52.4000112.3C448C448-D450 PolarHBondContact O-N 3.18Å
451P27.9Very low26.2Very low126 Ų126131.5 Ų131.582%0.81878%0.783SS**  trans-104.895.9135.328.4-16.2000109.4
452V27.5Very low26Very low112 Ų112135.1 Ų135.168%0.67978%0.783SS**  24.4118.6119.9178.30000113.7
453N27Very low25.8Very low134 Ų134139.1 Ų139.172%0.71778%0.78SS**  cis-168.6159.434.4-100.2-25000107.9
454H27.5Very low25.6Very low163 Ų163141.5 Ų141.576%0.75577%0.772SS**  cis-179.7172.7-25.9-128.5-35.2000105.9
455P30.9Very low25.4Very low107 Ų107140.4 Ų140.470%0.69577%0.773SS**  -124165.5-108.141.8-27.3000115.8
456A24.8Very low25.2Very low106 Ų106135.9 Ų135.988%0.87676%0.763SS**  trans-97.9122.2159.700000108.8
457C23.7Very low25Very low134 Ų134136.7 Ų136.791%0.90577%0.766SS**  trans-82.7136.4-177-160.90000110.6
458G23.7Very low24.9Very low64 Ų64135 Ų13566%0.6676%0.763SS**  trans-126.6145173.500000110.2
459D21.8Very low24.5Very low159 Ų159141.2 Ų141.285%0.8577%0.77SS**  trans-56.9147.4179.8-55.9-63.2000114
460Q23.3Very low24.2Very low152 Ų152139.5 Ų139.571%0.7177%0.77SS**  168.6134.5117.9-94.7179.7-4.600115.6
461Y23.3Very low23.9Very low185 Ų185136.2 Ų136.273%0.72577%0.77SS**  trans61.9112.7151.7-56-60.2000119.9
462L21.7Very low23.7Very low156 Ų156135.4 Ų135.482%0.81777%0.767SS**  74.493.678.7-16189.7000113.3
463E21.4Very low23.4Very low167 Ų167135.9 Ų135.978%0.7877%0.77SS**  trans-176126.2130.4-103.9179.5-17700113
464N22.1Very low23.3Very low133 Ų133137.7 Ų137.771%0.71178%0.775SS**  trans49.4112144.9-56.1-24.2000120.7
465I23.6Very low22.9Very low162 Ų162140.1 Ų140.183%0.83178%0.783SS**  178.8136102.8-84.3155.5000109.8
466T22.1Very low22.6Very low112 Ų112142.6 Ų142.669%0.68779%0.786SS**  trans-42.5143.1171.8500000116.9
467T23.5Very low22.5Very low120 Ų120143.3 Ų143.374%0.73678%0.78SS**  166.1136.7110.838.40000112.9
468N21.5Very low22.4Very low141 Ų141144.4 Ų144.475%0.75478%0.776SS**  trans67.696.5154.7-55.4-12.2000118.3
469W19.2Very low22.3Very low242 Ų242150.8 Ų150.892%0.91779%0.785SS**  58.4119.186.6-81.775.6000116.6
470S23Very low22.2Very low111 Ų111151.5 Ų151.578%0.77678%0.783SS**  trans84.2126.8143.8740000120.3
471G22Very low22.2Very low75 Ų75154.4 Ų154.477%0.77379%0.789SS**  trans77135.3149.100000115.1
472S23.9Very low22.1Very low108 Ų108150.5 Ų150.576%0.75579%0.789SS**  cis-174.6141.113.140.80000106.7
473T22.2Very low22.2Very low122 Ų122146.4 Ų146.475%0.74879%0.785SS**  trans16.8127.7140.852.20000119.7
474E24.1Very low22.3Very low172 Ų172148.6 Ų148.680%0.80479%0.791SS**  trans151.2100.1140-85.5168.6-17600106.8
475F20.3Very low22.3Very low214 Ų214147.8 Ų147.894%0.93980%0.796SS**  48.271.754.7-107.9-75.3000114.3
476Q24Very low22.3Very low160 Ų160146.1 Ų146.175%0.74880%0.797SS**  trans-135.7108.6153.9-73.2-166.6-3.700112.8
477T22.8Very low22.4Very low121 Ų121145.6 Ų145.674%0.74280%0.796SS**  trans64.9114.7132.461.70000120.9
478L20.1Very low22.5Very low157 Ų157148 Ų14882%0.82280%0.798SS**  trans-39139.4152.7-7288.4000113.2
479K22.4Very low22.6Very low197 Ų197148.9 Ų148.986%0.85780%0.8SS**  trans-126.498.3143.7-104.5179.9-178.5175.10109.7
480E20.9Very low22.7Very low174 Ų174145.8 Ų145.881%0.81380%0.798SS**  trans-51.3123.5158.1-161.5165-156.200109.6
481Y22Very low22.7Very low214 Ų214151.9 Ų151.984%0.83980%0.804SS**  trans-124.4117.3160.7-110-82.5000109.5
482S22.1Very low22.7Very low103 Ų103154.6 Ų154.672%0.7281%0.806SS**  trans-69.6144.7-179.848.20000112.6
483G22.6Very low22.7Very low70 Ų70154.1 Ų154.172%0.72280%0.802SS**  62.4101.4126.100000118.2
484K25Very low22.7Very low213 Ų213155.7 Ų155.793%0.92680%0.804SS**  trans-132.1105.2137.7-75.8-169.6178.8174.90110.5
485S21.6Very low22.6Very low115 Ų115157 Ų15780%0.80481%0.808SS**  trans-63.1139.3159.658.80000110.5
486C22.6Very low22.9Very low127 Ų127152.6 Ų152.686%0.85880%0.798SS**  trans-134.1146.1151.1-87.40000110.5
487P25.7Very low22.8Very low102 Ų102151.9 Ų151.966%0.66280%0.799SS**  trans-116.8171.9-154.537.1-19.7000114.2
488H24.2Very low23Very low169 Ų169153.1 Ų153.178%0.78280%0.801SS**  trans67.6107.6163.8-64.5-69.6000117.8
489M23.4Very low23.2Very low161 Ų161154.1 Ų154.179%0.79380%0.802SS**  86.2106.276.9-171.2179.7-172.800113.1
490M22.6Very low23.5Very low177 Ų177150.6 Ų150.687%0.87279%0.791SS**  -172.4113.7114.7-103.9-173.2-178.400110.1
491R22.5Very low24Very low238 Ų238146.8 Ų146.890%0.89878%0.781SS**  trans-91.6104.4177.1179.9-175.3-73.9-177.5-3.6107.1S493R491-S493 PolarHBondContact O-N 3.35Å
492T21.8Very low24.4Very low133 Ų133144.1 Ų144.182%0.81678%0.777SS**  trans-79.799.1167.939.40000108.9I494T492-I494 PolarHBondContact O-N 3.42Å
493S23.4Very low24.9Very low98 Ų98145.2 Ų145.269%0.68577%0.773SS**  trans-71.9105.4168.941.30000109.4R491 K495R491-S493 PolarHBondContact O-N 3.35Å; S493-K495 PolarHBondContact O-N 3.42Å; S493-K495 VanDerWaalsContact O-N 3.11Å
494I23.5Very low25.3Very low154 Ų154147 Ų14779%0.7977%0.765SS**  trans-69.5104.5165.2-63.3171.8000106.7T492 V496T492-I494 PolarHBondContact O-N 3.42Å; I494-V496 HydrophobicContact CG2-CG2 4.22Å; I494-V496 PolarHBondContact O-N 3.02Å; I494-V496 VanDerWaalsContact O-N 3.08Å
495K20.6Very low25.6Very low200 Ų200143.1 Ų143.187%0.8775%0.75SS**  trans-64.1101168.3-78.5178.7175.2177.70108.5S493S493-K495 PolarHBondContact O-N 3.42Å; S493-K495 VanDerWaalsContact O-N 3.11Å
496V26.3Very low26.1Very low122 Ų122145.1 Ų145.174%0.73975%0.747SS**  trans-86.5116.7162.1-179.60000107I494I494-V496 HydrophobicContact CG2-CG2 4.22Å; I494-V496 PolarHBondContact O-N 3.02Å; I494-V496 VanDerWaalsContact O-N 3.08Å
497N22.9Very low26.7Very low145 Ų145144.3 Ų144.378%0.77573%0.733SS**  trans-63.5129.6-174.8-147.916.8000110.4Q499N497-Q499 PolarHBondContact O-N 3.27Å; N497-Q499 VanDerWaalsContact O-N 3.1Å
498N26.2Very low26.9Very low146 Ų146146.6 Ų146.678%0.78174%0.737SS**  trans-69.199.7177.6-77-22.4000110.3
499Q24.8Very low27.1Very low179 Ų179145.8 Ų145.884%0.83673%0.733SS**  trans-145.271.9155.3-118.2165.7-24.700107.8N497 P501N497-Q499 PolarHBondContact O-N 3.27Å; N497-Q499 VanDerWaalsContact O-N 3.1Å; Q499-P501 WeakPolarHBondContact O-CD 3.36Å
500I29.4Very low27.4Very low122 Ų122145 Ų14563%0.62673%0.732SS**  trans-71.1121.3170.8-65.3172.6000106.8L504I500-L504 HydrophobicContact CG2-CB 3.97Å; I500-L504 HydrophobicContact CG2-CD2 4.48Å
501P29.9Very low27.7Very low94 Ų94142.1 Ų142.161%0.6172%0.72SS**  trans-68142.2179.6-15.128.4000111.4Q499 I503 L504Q499-P501 WeakPolarHBondContact O-CD 3.36Å; P501-I503 PolarHBondContact O-N 3.47Å; P501-L504 PolarHBondContact O-N 3.21Å
502E31.8Very low28.1Very low159 Ų159137.3 Ų137.374%0.74371%0.712SS**THydrogen-bonded Turntrans-49.4-10.8-176.7-71.6174.1147.100116.4L504 Q505 Q506E502-L504 PolarHBondContact O-N 3.19Å; E502-Q505 PolarHBondContact O-N 3.21Å; E502-Q505 VanDerWaalsContact O-N 3.16Å; E502-Q506 PolarHBondContact O-N 3.23Å
503I31.9Very low28.4Very low125 Ų125139.9 Ų139.964%0.64172%0.715SS**Hα-helixtrans-61.3-28174.1-61.8170.5000111.5P501P501-I503 PolarHBondContact O-N 3.47Å
504L32Very low28.7Very low107 Ų107141.1 Ų141.156%0.5671%0.713SS**Hα-helixtrans-77-25.8177-128.397.4000113.6I500 P501 E502 I507I500-L504 HydrophobicContact CG2-CB 3.97Å; I500-L504 HydrophobicContact CG2-CD2 4.48Å; P501-L504 PolarHBondContact O-N 3.21Å; E502-L504 PolarHBondContact O-N 3.19Å; L504-I507 PolarHBondContact O-N 3.06Å
505Q31.6Very low28.8Very low132 Ų132140.4 Ų140.462%0.61771%0.711SS**Hα-helixtrans-76-32.4178.7-84.9176.5-28.500112.3E502 I507 M508E502-Q505 PolarHBondContact O-N 3.21Å; E502-Q505 VanDerWaalsContact O-N 3.16Å; Q505-I507 VanDerWaalsContact C-N 3.28Å; Q505-I507 PolarHBondContact O-N 3.48Å; Q505-M508 PolarHBondContact O-N 3.32Å
506Q31.4Very low29Very low157 Ų157138 Ų13873%0.73471%0.707SS**Hα-helixtrans-70-25.1174-77.5-177.2-20.500113.1E502 M508E502-Q506 PolarHBondContact O-N 3.23Å; Q506-M508 VanDerWaalsContact C-N 3.31Å
507I34.8Very low28.9Very low111 Ų111141.7 Ų141.757%0.56971%0.709SS**Hα-helixtrans-74.8-24.5174.4-63.7169.5000111.1L504 Q505 H509L504-I507 PolarHBondContact O-N 3.06Å; Q505-I507 VanDerWaalsContact C-N 3.28Å; Q505-I507 PolarHBondContact O-N 3.48Å; I507-H509 VanDerWaalsContact C-N 3.34Å; I507-H509 PolarHBondContact O-N 2.76Å
508M30.2Very low29.1Very low149 Ų149140.6 Ų140.673%0.73471%0.71SS**Hα-helixtrans-76.4-16.7178-67.6-178.36600114.1Q505 Q506Q505-M508 PolarHBondContact O-N 3.32Å; Q506-M508 VanDerWaalsContact C-N 3.31Å
509H29Very low29Very low153 Ų153143.3 Ų143.371%0.70872%0.715SS**THydrogen-bonded Turntrans-96.5-8.1-171-114.3-68.6000115.8I507I507-H509 VanDerWaalsContact C-N 3.34Å; I507-H509 PolarHBondContact O-N 2.76Å
510N28.6Very low28.9Very low145 Ų145145.6 Ų145.678%0.77572%0.716SS**SBendtrans-110.67-176.2-89.5-3.7000115.6N512N510-N512 VanDerWaalsContact C-N 3.32Å; N510-N512 PolarHBondContact O-N 3.1Å
511D29.5Very low28.8Very low115 Ų115145 Ų14562%0.61572%0.718SS**G310 helixtrans-89.317.8178.1-90.8-14.3000114.6Q513D511-Q513 PolarHBondContact O-N 3.08Å
512N29.9Very low28.6Very low137 Ų137147.7 Ų147.773%0.73373%0.726SS**G310 helixtrans-73.70.5172.8-79.6-6.8000114.3N510N510-N512 VanDerWaalsContact C-N 3.32Å; N510-N512 PolarHBondContact O-N 3.1Å
513Q28.2Very low28.2Very low187 Ų187146.4 Ų146.487%0.87472%0.724SS**G310 helixtrans-108.710.3-179.6-72.9-149.5-15.800116D511D511-Q513 PolarHBondContact O-N 3.08Å
514I30.3Very low28Very low124 Ų124150.9 Ų150.964%0.63674%0.735SS**  trans-124.156.8172.3-46.5179.5000110.1N516I514-N516 VanDerWaalsContact C-N 3.26Å
515N25.7Very low27.8Very low140 Ų140153.1 Ų153.175%0.74975%0.747SS**  trans-8511.3168.3-89.2-13.6000113.7
516N25.1Very low27.7Very low148 Ų148156 Ų15679%0.79176%0.76SS**  trans-11346.1-177.1-80-2.6000113.8I514I514-N516 VanDerWaalsContact C-N 3.26Å
517Y24.8Very low27.6Very low200 Ų200153.3 Ų153.378%0.78476%0.759SS**SBendtrans-140.1130150.9-86.6-83.5000108.8F519Y517-F519 PolarHBondContact O-N 3.12Å
518P26Very low27.6Very low122 Ų122157.6 Ų157.679%0.79278%0.777SS**  trans-68.6112.2-173.728-31.1000108.8R520P518-R520 PolarHBondContact O-N 3.02Å
519F24.6Very low27.9Very low204 Ų204154 Ų15490%0.89578%0.778SS**  trans-60.291.1161-110.3-94000107.2Y517 T521Y517-F519 PolarHBondContact O-N 3.12Å; F519-T521 PolarHBondContact O-N 3.43Å; F519-T521 VanDerWaalsContact O-N 3.11Å
520R22.9Very low28.6Very low226 Ų226155.4 Ų155.485%0.85378%0.782SS**  trans-74.9100168.4-166.6-179.9-75.1-161.4-2.4106.2P518 I522P518-R520 PolarHBondContact O-N 3.02Å; R520-I522 PolarHBondContact O-N 3.13Å; R520-I522 VanDerWaalsContact O-N 3.14Å
521T25.9Very low29.3Very low109 Ų109154.6 Ų154.667%0.66978%0.778SS**  trans-52.6114165.440.30000108.1F519 N523F519-T521 PolarHBondContact O-N 3.43Å; F519-T521 VanDerWaalsContact O-N 3.11Å; T521-N523 PolarHBondContact O-N 3.39Å; T521-N523 VanDerWaalsContact O-N 3.13Å
522I26.6Very low30.4Very low152 Ų152151.8 Ų151.878%0.77977%0.767SS**  trans-77.597.2175.1-58.9173.4000105.9R520R520-I522 PolarHBondContact O-N 3.13Å; R520-I522 VanDerWaalsContact O-N 3.14Å
523N24.2Very low31.7Very low131 Ų131149.8 Ų149.870%0.70176%0.76SS**  trans-76.3132.1166.1-76.3-10.6000108.3T521 D525T521-N523 PolarHBondContact O-N 3.39Å; T521-N523 VanDerWaalsContact O-N 3.13Å; N523-D525 PolarHBondContact O-N 2.95Å
524Y27.3Very low33.4Very low219 Ų219144.6 Ų144.686%0.85974%0.741SS**  trans-73.599.6172.2-76.1-92.1000108.5
525D27.8Very low35.4Very low154 Ų154142.2 Ų142.282%0.82473%0.733SS**  trans-98.1112.5158.9-75.9-28.7000108.2N523 S527N523-D525 PolarHBondContact O-N 2.95Å; D525-S527 PolarHBondContact O-N 3.44Å
526E28.3Very low38.1Very low192 Ų192140.7 Ų140.790%0.89772%0.724SS**  trans-63.9111.6167.8-70.8174.9141.900109.2
527S30.4Very low40.8Very low101 Ų101139.5 Ų139.571%0.70671%0.714SS**  trans-177.3122.7146.928.80000112.8D525D525-S527 PolarHBondContact O-N 3.44Å
528E34.2Very low43.5Very low201 Ų201138.2 Ų138.294%0.93971%0.707SS**  trans64.8131.8137.1-56.9-167.7166.200121.6
529G37.2Very low46.1Very low73 Ų73137 Ų13775%0.75369%0.694SS**  trans12075.615200000115.7N531G529-N531 PolarHBondContact O-N 3.33Å
530F42.3Very low49.1Very low184 Ų184131.2 Ų131.281%0.80768%0.676SS**  trans-53.186.9171.8-173.7-100.3000113.3
531N43.4Very low52.1Low128 Ų128127.5 Ų127.568%0.68466%0.661SS**  trans-130.132.2149-83.4-28.4000109.5G529 T533 T534G529-N531 PolarHBondContact O-N 3.33Å; N531-T533 PolarHBondContact O-N 3.03Å; N531-T533 VanDerWaalsContact O-N 3.12Å; N531-T534 PolarHBondContact O-N 3.47Å; N531-T534 PolarHBondContact O-OG1 3.5Å
532S53.4Low54.9Low55 Ų55126.1 Ų126.139%0.38565%0.647SS.*Hα-helixtrans-61.7-22.4-163.255.90000114.6T535 L536S532-T535 WeakPolarHBondContact CA-OG1 3.14Å; S532-T535 PolarHBondContact O-OG1 3.15Å; S532-L536 WeakPolarHBondContact O-CB 3.47Å; S532-L536 PolarHBondContact O-N 2.96Å
533T57.3Low58Low95 Ų95124.2 Ų124.258%0.58364%0.638SS**Hα-helixtrans-68-44.9-177.6530000111.9N531 E537N531-T533 PolarHBondContact O-N 3.03Å; N531-T533 VanDerWaalsContact O-N 3.12Å; T533-E537 WeakPolarHBondContact O-CB 3.3Å; T533-E537 VanDerWaalsContact O-CG 3.3Å; T533-E537 WeakPolarHBondContact O-CG 3.4Å; T533-E537 PolarHBondContact O-N 3.36Å
534T64.8Low61Low78 Ų78125.6 Ų125.648%0.47964%0.638SS.*Hα-helixtrans-75.4-31.1-177.466.30000113.2N531 R538N531-T534 PolarHBondContact O-N 3.47Å; N531-T534 PolarHBondContact O-OG1 3.5Å; T534-R538 PolarHBondContact O-N 3.03Å
535T71.6Confident64Low75 Ų75120.1 Ų120.146%0.4662%0.619SS.*Hα-helixtrans-74.4-45.6174.754.60000110.6S532 E537 R538 D539S532-T535 WeakPolarHBondContact CA-OG1 3.14Å; S532-T535 PolarHBondContact O-OG1 3.15Å; T535-E537 VanDerWaalsContact C-N 3.34Å; T535-E537 PolarHBondContact O-N 2.94Å; T535-R538 WeakPolarHBondContact O-CB 3.27Å; T535-R538 PolarHBondContact O-N 3.28Å; T535-R538 VanDerWaalsContact O-N 3.09Å; T535-D539 PolarHBondContact O-N 2.81Å
536L82.7Confident66.8Low108 Ų108120 Ų12057%0.56561%0.608SS**Hα-helixtrans-60.5-41.4174.6-175.368.9000111.9S532 R538 D539 V540S532-L536 WeakPolarHBondContact O-CB 3.47Å; S532-L536 PolarHBondContact O-N 2.96Å; L536-R538 VanDerWaalsContact C-N 3.31Å; L536-R538 PolarHBondContact O-N 3.16Å; L536-D539 PolarHBondContact O-N 3.02Å; L536-V540 HydrophobicContact CD1-CG2 4.42Å; L536-V540 HydrophobicContact CG-CG2 4.42Å; L536-V540 WeakPolarHBondContact O-CB 3.49Å; L536-V540 VanDerWaalsContact O-CG2 3.25Å; L536-V540 WeakPolarHBondContact O-CG2 3.26Å; L536-V540 PolarHBondContact O-N 2.8Å
537E81Confident69.8Low122 Ų122115.2 Ų115.257%0.5759%0.592SS**Hα-helixtrans-62.2-37174.9-83.1-173.1-174.600112.8T533 T535 R541T533-E537 WeakPolarHBondContact O-CB 3.3Å; T533-E537 VanDerWaalsContact O-CG 3.3Å; T533-E537 WeakPolarHBondContact O-CG 3.4Å; T533-E537 PolarHBondContact O-N 3.36Å; T535-E537 VanDerWaalsContact C-N 3.34Å; T535-E537 PolarHBondContact O-N 2.94Å; E537-R541 VanDerWaalsContact O-CB 3.25Å; E537-R541 WeakPolarHBondContact O-CB 3.31Å; E537-R541 PolarHBondContact O-N 3.11Å; E537-R541 VanDerWaalsContact O-N 3.12Å
538R80.8Confident72.7Confident173 Ų173117 Ų11765%0.65359%0.587SS**Hα-helixtrans-66.5-47173.5-94.1-171174.6100.9-5111.2T534 T535 L536 V540 R541 E542T534-R538 PolarHBondContact O-N 3.03Å; T535-R538 WeakPolarHBondContact O-CB 3.27Å; T535-R538 PolarHBondContact O-N 3.28Å; T535-R538 VanDerWaalsContact O-N 3.09Å; L536-R538 VanDerWaalsContact C-N 3.31Å; L536-R538 PolarHBondContact O-N 3.16Å; R538-V540 PolarHBondContact O-N 3.34Å; R538-R541 WeakPolarHBondContact O-CB 3.23Å; R538-R541 PolarHBondContact O-N 2.99Å; R538-R541 VanDerWaalsContact O-N 3.13Å; R538-E542 PolarHBondContact O-N 3.41Å
539D82.6Confident75.3Confident96 Ų96111.3 Ų111.351%0.51356%0.562SS.*Hα-helixtrans-64-43.1-178.3-68.2-16.9000111.8T535 L536 R541 E542 L543T535-D539 PolarHBondContact O-N 2.81Å; L536-D539 PolarHBondContact O-N 3.02Å; D539-R541 VanDerWaalsContact C-N 3.29Å; D539-R541 PolarHBondContact O-N 3.39Å; D539-E542 PolarHBondContact O-N 2.96Å; D539-L543 WeakPolarHBondContact O-CB 3.46Å; D539-L543 WeakPolarHBondContact O-CG 3.26Å; D539-L543 PolarHBondContact O-N 3.5Å
540V85.8Confident77.9Confident84 Ų84111.6 Ų111.651%0.50955%0.549SS..Hα-helixtrans-62.5-37.6174.1172.10000111.2L536 R538 K544L536-V540 HydrophobicContact CD1-CG2 4.42Å; L536-V540 HydrophobicContact CG-CG2 4.42Å; L536-V540 WeakPolarHBondContact O-CB 3.49Å; L536-V540 VanDerWaalsContact O-CG2 3.25Å; L536-V540 WeakPolarHBondContact O-CG2 3.26Å; L536-V540 PolarHBondContact O-N 2.8Å; R538-V540 PolarHBondContact O-N 3.34Å; V540-K544 WeakPolarHBondContact O-CB 3.38Å; V540-K544 PolarHBondContact O-N 3.41Å
541R85.6Confident80.2Confident147 Ų147105.3 Ų105.356%0.55553%0.525SS*.Hα-helixtrans-68.8-40.8177.4-169.9-177.8-60.2173.13111.9E537 R538 D539 K544 K545E537-R541 VanDerWaalsContact O-CB 3.25Å; E537-R541 WeakPolarHBondContact O-CB 3.31Å; E537-R541 PolarHBondContact O-N 3.11Å; E537-R541 VanDerWaalsContact O-N 3.12Å; R538-R541 WeakPolarHBondContact O-CB 3.23Å; R538-R541 PolarHBondContact O-N 2.99Å; R538-R541 VanDerWaalsContact O-N 3.13Å; D539-R541 VanDerWaalsContact C-N 3.29Å; D539-R541 PolarHBondContact O-N 3.39Å; R541-K544 PolarHBondContact O-N 3.32Å; R541-K545 WeakPolarHBondContact O-CG 3.45Å; R541-K545 PolarHBondContact O-N 3.04Å; R541-K545 VanDerWaalsContact O-N 3.09Å
542E86.8Confident82.4Confident80 Ų80103 Ų10337%0.37451%0.513SS..Hα-helixtrans-65.4-47.9174.1-74.7-57.4131.600111.2R538 D539 K544 K545 Y546R538-E542 PolarHBondContact O-N 3.41Å; D539-E542 PolarHBondContact O-N 2.96Å; E542-K544 VanDerWaalsContact C-N 3.26Å; E542-K544 PolarHBondContact O-N 3.19Å; E542-K545 WeakPolarHBondContact O-CA 3.44Å; E542-K545 WeakPolarHBondContact O-CB 3.48Å; E542-K545 PolarHBondContact O-N 3.46Å; E542-K545 IonicContact OE1-NZ 2.72Å; E542-K545 PolarHBondContact OE1-NZ 2.98Å; E542-Y546 VanDerWaalsContact O-CD2 3.23Å; E542-Y546 WeakPolarHBondContact O-CD2 3.47Å; E542-Y546 PolarHBondContact O-N 3.16Å
543L90.2Very high84.1Confident113 Ų113108.5 Ų108.559%0.59253%0.525SS*.Hα-helixtrans-53.8-43.7173.5-77.3168.1000111.7D539 K545 Y546 V547D539-L543 WeakPolarHBondContact O-CB 3.46Å; D539-L543 WeakPolarHBondContact O-CG 3.26Å; D539-L543 PolarHBondContact O-N 3.5Å; L543-K545 VanDerWaalsContact C-N 3.34Å; L543-K545 PolarHBondContact O-N 2.73Å; L543-Y546 PolarHBondContact O-N 3.34Å; L543-V547 WeakPolarHBondContact O-CB 3.35Å; L543-V547 VanDerWaalsContact O-CG2 3.28Å; L543-V547 WeakPolarHBondContact O-CG2 3.41Å; L543-V547 PolarHBondContact O-N 3.18Å
544K88.6Confident85.5Confident159 Ų159109.6 Ų109.669%0.69152%0.524SS*.Hα-helixtrans-62.2-37.3175.4-174.6178.2-179.2177.20112.8V540 R541 E542 K548V540-K544 WeakPolarHBondContact O-CB 3.38Å; V540-K544 PolarHBondContact O-N 3.41Å; R541-K544 PolarHBondContact O-N 3.32Å; E542-K544 VanDerWaalsContact C-N 3.26Å; E542-K544 PolarHBondContact O-N 3.19Å; K544-K548 WeakPolarHBondContact O-CB 3.35Å; K544-K548 PolarHBondContact O-N 2.8Å
545K88.8Confident86.4Confident105 Ų105112.1 Ų112.146%0.45753%0.528SS..Hα-helixtrans-66.7-47.4174.7-70.9174.2-173.71700111R541 E542 L543 V547 K548 I549R541-K545 WeakPolarHBondContact O-CG 3.45Å; R541-K545 PolarHBondContact O-N 3.04Å; R541-K545 VanDerWaalsContact O-N 3.09Å; E542-K545 WeakPolarHBondContact O-CA 3.44Å; E542-K545 WeakPolarHBondContact O-CB 3.48Å; E542-K545 PolarHBondContact O-N 3.46Å; E542-K545 IonicContact OE1-NZ 2.72Å; E542-K545 PolarHBondContact OE1-NZ 2.98Å; L543-K545 VanDerWaalsContact C-N 3.34Å; L543-K545 PolarHBondContact O-N 2.73Å; K545-V547 PolarHBondContact O-N 3.47Å; K545-K548 WeakPolarHBondContact O-CB 3.48Å; K545-K548 PolarHBondContact O-N 3.01Å; K545-K548 VanDerWaalsContact O-N 3.17Å; K545-I549 WeakPolarHBondContact O-CG1 3.42Å; K545-I549 PolarHBondContact O-N 2.78Å
546Y87.5Confident86.9Confident152 Ų152113.4 Ų113.460%0.59653%0.529SS*.Hα-helixtrans-59.2-48177.3-79.8-72.8000111.8E542 L543 K548 I549 V550E542-Y546 VanDerWaalsContact O-CD2 3.23Å; E542-Y546 WeakPolarHBondContact O-CD2 3.47Å; E542-Y546 PolarHBondContact O-N 3.16Å; L543-Y546 PolarHBondContact O-N 3.34Å; Y546-K548 VanDerWaalsContact C-N 3.29Å; Y546-K548 PolarHBondContact O-N 3.01Å; Y546-I549 PolarHBondContact O-N 3.41Å; Y546-I549 VanDerWaalsContact O-N 3.14Å; Y546-V550 WeakPolarHBondContact O-CG2 3.33Å; Y546-V550 PolarHBondContact O-N 2.93Å
547V91.3Very high86.9Confident91 Ų91112.9 Ų112.955%0.55253%0.53SS*.Hα-helixtrans-58.1-42.6175.3171.90000111L543 K545 I549 V550 V551L543-V547 WeakPolarHBondContact O-CB 3.35Å; L543-V547 VanDerWaalsContact O-CG2 3.28Å; L543-V547 WeakPolarHBondContact O-CG2 3.41Å; L543-V547 PolarHBondContact O-N 3.18Å; K545-V547 PolarHBondContact O-N 3.47Å; V547-I549 PolarHBondContact O-N 2.89Å; V547-V550 PolarHBondContact O-N 2.72Å; V547-V551 HydrophobicContact CG1-CG2 4.19Å; V547-V551 WeakPolarHBondContact O-CB 3.2Å; V547-V551 WeakPolarHBondContact O-CG2 3.45Å; V547-V551 PolarHBondContact O-N 2.81Å
548K90.2Very high86.9Confident139 Ų139112.3 Ų112.360%0.60453%0.53SS*.Hα-helixtrans-63.9-40.5177.3-171.6178.1-179.2-176.90112.4K544 K545 Y546 N552K544-K548 WeakPolarHBondContact O-CB 3.35Å; K544-K548 PolarHBondContact O-N 2.8Å; K545-K548 WeakPolarHBondContact O-CB 3.48Å; K545-K548 PolarHBondContact O-N 3.01Å; K545-K548 VanDerWaalsContact O-N 3.17Å; Y546-K548 VanDerWaalsContact C-N 3.29Å; Y546-K548 PolarHBondContact O-N 3.01Å; K548-N552 VanDerWaalsContact O-CB 3.24Å; K548-N552 WeakPolarHBondContact O-CB 3.45Å; K548-N552 PolarHBondContact O-N 2.72Å
549I90Very high86.8Confident81 Ų81109.3 Ų109.342%0.41552%0.523SS..Hα-helixtrans-64.9-46.4176.5-68165.3000110.4K545 Y546 V547 N552 R553K545-I549 WeakPolarHBondContact O-CG1 3.42Å; K545-I549 PolarHBondContact O-N 2.78Å; Y546-I549 PolarHBondContact O-N 3.41Å; Y546-I549 VanDerWaalsContact O-N 3.14Å; V547-I549 PolarHBondContact O-N 2.89Å; I549-N552 PolarHBondContact O-N 2.86Å; I549-R553 HydrophobicContact CG2-CG 4.48Å; I549-R553 WeakPolarHBondContact O-CB 3.17Å; I549-R553 WeakPolarHBondContact O-CG 3.44Å; I549-R553 PolarHBondContact O-N 2.98Å
550V90.8Very high86.5Confident79 Ų79108.7 Ų108.748%0.47952%0.516SS..Hα-helixtrans-62.4-46.4178.1173.40000110.9Y546 V547 N552 R553 Q554Y546-V550 WeakPolarHBondContact O-CG2 3.33Å; Y546-V550 PolarHBondContact O-N 2.93Å; V547-V550 PolarHBondContact O-N 2.72Å; V550-N552 VanDerWaalsContact C-N 3.33Å; V550-N552 PolarHBondContact O-N 3.44Å; V550-R553 PolarHBondContact O-N 3.44Å; V550-Q554 WeakPolarHBondContact O-CB 3.16Å; V550-Q554 WeakPolarHBondContact O-CG 3.19Å; V550-Q554 PolarHBondContact O-N 2.85Å
551V90.4Very high86.1Confident52 Ų52107.7 Ų107.732%0.31551%0.512SS..Hα-helixtrans-63-39.4176.6169.40000111.4V547 Q554 K555V547-V551 HydrophobicContact CG1-CG2 4.19Å; V547-V551 WeakPolarHBondContact O-CB 3.2Å; V547-V551 WeakPolarHBondContact O-CG2 3.45Å; V547-V551 PolarHBondContact O-N 2.81Å; V551-Q554 PolarHBondContact O-N 3.21Å; V551-K555 HydrophobicContact CG1-CD 4.19Å; V551-K555 WeakPolarHBondContact O-CB 3.22Å; V551-K555 VanDerWaalsContact O-CG 3.28Å; V551-K555 WeakPolarHBondContact O-CG 3.46Å; V551-K555 PolarHBondContact O-N 2.96Å
552N90.1Very high85.7Confident78 Ų78104.5 Ų104.542%0.41751%0.506SS..Hα-helixtrans-68.8-41.8176.9-77.7-7.6000111.8K548 I549 V550 K555 E556K548-N552 VanDerWaalsContact O-CB 3.24Å; K548-N552 WeakPolarHBondContact O-CB 3.45Å; K548-N552 PolarHBondContact O-N 2.72Å; I549-N552 PolarHBondContact O-N 2.86Å; V550-N552 VanDerWaalsContact C-N 3.33Å; V550-N552 PolarHBondContact O-N 3.44Å; N552-K555 PolarHBondContact O-N 2.93Å; N552-E556 WeakPolarHBondContact O-CB 3.45Å; N552-E556 PolarHBondContact O-N 3.48Å
553R88.3Confident85.1Confident172 Ų172101.3 Ų101.365%0.64949%0.491SS*.Hα-helixtrans-60-46.2172.5-78-178.6174.4167.5-1.5111I549 V550 K555 E556 T557I549-R553 HydrophobicContact CG2-CG 4.48Å; I549-R553 WeakPolarHBondContact O-CB 3.17Å; I549-R553 WeakPolarHBondContact O-CG 3.44Å; I549-R553 PolarHBondContact O-N 2.98Å; V550-R553 PolarHBondContact O-N 3.44Å; R553-K555 PolarHBondContact O-N 3.19Å; R553-E556 PolarHBondContact O-N 2.75Å; R553-T557 WeakPolarHBondContact O-CB 3.24Å; R553-T557 PolarHBondContact O-N 3.45Å; R553-T557 PolarHBondContact O-OG1 2.83Å
554Q86.8Confident84.3Confident118 Ų11896.8 Ų96.855%0.55147%0.47SS*.Hα-helixtrans-59-45.8173.8-79.7-173.2-33.400112V550 V551 E556 T557 I558V550-Q554 WeakPolarHBondContact O-CB 3.16Å; V550-Q554 WeakPolarHBondContact O-CG 3.19Å; V550-Q554 PolarHBondContact O-N 2.85Å; V551-Q554 PolarHBondContact O-N 3.21Å; Q554-E556 VanDerWaalsContact C-N 3.34Å; Q554-E556 PolarHBondContact O-N 2.85Å; Q554-T557 PolarHBondContact O-N 2.9Å; Q554-I558 WeakPolarHBondContact O-CB 3.47Å; Q554-I558 WeakPolarHBondContact O-CD1 3.41Å; Q554-I558 WeakPolarHBondContact O-CG1 3.39Å; Q554-I558 PolarHBondContact O-N 3.13Å
555K85.1Confident83.5Confident130 Ų13093.8 Ų93.857%0.56546%0.46SS*.Hα-helixtrans-61.2-41.3176.4-78173.9-177.6174.20112.4V551 N552 R553 I558 H559V551-K555 HydrophobicContact CG1-CD 4.19Å; V551-K555 WeakPolarHBondContact O-CB 3.22Å; V551-K555 VanDerWaalsContact O-CG 3.28Å; V551-K555 WeakPolarHBondContact O-CG 3.46Å; V551-K555 PolarHBondContact O-N 2.96Å; N552-K555 PolarHBondContact O-N 2.93Å; R553-K555 PolarHBondContact O-N 3.19Å; K555-I558 PolarHBondContact O-N 3.32Å; K555-H559 VanDerWaalsContact O-CB 3.26Å; K555-H559 WeakPolarHBondContact O-CB 3.04Å; K555-H559 PolarHBondContact O-N 2.95Å
556E82.4Confident82.9Confident102 Ų10290.6 Ų90.648%0.47745%0.446SS..Hα-helixtrans-67.2-43.8178.5-165.5-176151.700111.2N552 R553 Q554 I558 H559 K560N552-E556 WeakPolarHBondContact O-CB 3.45Å; N552-E556 PolarHBondContact O-N 3.48Å; R553-E556 PolarHBondContact O-N 2.75Å; Q554-E556 VanDerWaalsContact C-N 3.34Å; Q554-E556 PolarHBondContact O-N 2.85Å; E556-I558 PolarHBondContact O-N 3.31Å; E556-H559 PolarHBondContact O-N 2.77Å; E556-K560 HydrophobicContact CG-CD 4.36Å; E556-K560 WeakPolarHBondContact O-CB 3.26Å; E556-K560 WeakPolarHBondContact O-CG 3.4Å; E556-K560 PolarHBondContact O-N 2.77Å; E556-K560 WeakPolarHBondContact OE1-CE 3.41Å; E556-K560 IonicContact OE1-NZ 3.86Å; E556-K560 PolarHBondContact OE1-NZ 2.79Å
557T81.7Confident82.3Confident97 Ų9784.6 Ų84.660%0.59542%0.423SS*.Hα-helixtrans-61.1-42.9173.8-55.20000111.6R553 Q554 S561R553-T557 WeakPolarHBondContact O-CB 3.24Å; R553-T557 PolarHBondContact O-N 3.45Å; R553-T557 PolarHBondContact O-OG1 2.83Å; Q554-T557 PolarHBondContact O-N 2.9Å; T557-S561 WeakPolarHBondContact O-CB 3.09Å; T557-S561 PolarHBondContact O-N 2.76Å; T557-S561 PolarHBondContact O-OG 2.81Å
558I81.7Confident81.5Confident110 Ų11083.6 Ų83.656%0.56441%0.409SS*.Hα-helixtrans-65.2-38.8174.9-68.4163.5000111.2Q554 K555 E556 S561 L562Q554-I558 WeakPolarHBondContact O-CB 3.47Å; Q554-I558 WeakPolarHBondContact O-CD1 3.41Å; Q554-I558 WeakPolarHBondContact O-CG1 3.39Å; Q554-I558 PolarHBondContact O-N 3.13Å; K555-I558 PolarHBondContact O-N 3.32Å; E556-I558 PolarHBondContact O-N 3.31Å; I558-S561 WeakPolarHBondContact CA-OG 3.47Å; I558-S561 PolarHBondContact O-OG 3.34Å; I558-L562 WeakPolarHBondContact O-CB 3.42Å; I558-L562 PolarHBondContact O-N 3.47Å
559H78.4Confident80.7Confident110 Ų11078.7 Ų78.751%0.50939%0.391SS..Hα-helixtrans-69.3-43179.3-172.354.8000111.9K555 E556 L562 I563K555-H559 VanDerWaalsContact O-CB 3.26Å; K555-H559 WeakPolarHBondContact O-CB 3.04Å; K555-H559 PolarHBondContact O-N 2.95Å; E556-H559 PolarHBondContact O-N 2.77Å; H559-L562 PolarHBondContact O-N 3.27Å; H559-I563 WeakPolarHBondContact NE2-CD1 3.42Å; H559-I563 WeakPolarHBondContact O-CG1 3.43Å; H559-I563 PolarHBondContact O-N 2.88Å
560K76Confident79.9Confident84 Ų8475.1 Ų75.137%0.36537%0.373SS..Hα-helixtrans-60.4-44.9173.1-77.1172.4166.6162.60111.5E556 L562 I563 A564E556-K560 HydrophobicContact CG-CD 4.36Å; E556-K560 WeakPolarHBondContact O-CB 3.26Å; E556-K560 WeakPolarHBondContact O-CG 3.4Å; E556-K560 PolarHBondContact O-N 2.77Å; E556-K560 WeakPolarHBondContact OE1-CE 3.41Å; E556-K560 IonicContact OE1-NZ 3.86Å; E556-K560 PolarHBondContact OE1-NZ 2.79Å; K560-L562 VanDerWaalsContact C-N 3.34Å; K560-L562 PolarHBondContact O-N 3.26Å; K560-I563 PolarHBondContact O-N 3.46Å; K560-A564 WeakPolarHBondContact O-CB 3.49Å; K560-A564 PolarHBondContact O-N 2.96Å
561S76.7Confident79.1Confident62 Ų6271.6 Ų71.643%0.43435%0.352SS..Hα-helixtrans-65.4-36.7177.371.90000112.3T557 I558 M565T557-S561 WeakPolarHBondContact O-CB 3.09Å; T557-S561 PolarHBondContact O-N 2.76Å; T557-S561 PolarHBondContact O-OG 2.81Å; I558-S561 WeakPolarHBondContact CA-OG 3.47Å; I558-S561 PolarHBondContact O-OG 3.34Å; S561-M565 WeakPolarHBondContact O-CB 3.47Å; S561-M565 WeakPolarHBondContact O-CG 3.42Å; S561-M565 PolarHBondContact O-N 2.89Å
562L77.4Confident78.4Confident80 Ų8072.2 Ų72.242%0.41935%0.353SS..Hα-helixtrans-64.6-46.9175.2-173.770.3000112.3I558 H559 K560 A564 M565 E566I558-L562 WeakPolarHBondContact O-CB 3.42Å; I558-L562 PolarHBondContact O-N 3.47Å; H559-L562 PolarHBondContact O-N 3.27Å; K560-L562 VanDerWaalsContact C-N 3.34Å; K560-L562 PolarHBondContact O-N 3.26Å; L562-A564 VanDerWaalsContact C-N 3.35Å; L562-A564 PolarHBondContact O-N 3.32Å; L562-M565 WeakPolarHBondContact O-CB 3.12Å; L562-M565 PolarHBondContact O-N 3.44Å; L562-E566 PolarHBondContact O-N 3.46Å
563I74.9Confident77.9Confident13 Ų1368.7 Ų68.77%0.06733%0.334CS..Hα-helixtrans-63-43.5178.2-68.4165.8000110.6H559 K560 M565 E566 W567H559-I563 WeakPolarHBondContact NE2-CD1 3.42Å; H559-I563 WeakPolarHBondContact O-CG1 3.43Å; H559-I563 PolarHBondContact O-N 2.88Å; K560-I563 PolarHBondContact O-N 3.46Å; I563-M565 VanDerWaalsContact C-N 3.29Å; I563-M565 PolarHBondContact O-N 2.84Å; I563-E566 PolarHBondContact O-N 2.89Å; I563-W567 VanDerWaalsContact O-CD1 3.32Å; I563-W567 PolarHBondContact O-N 3.26Å; I563-W567 VanDerWaalsContact O-N 3.13Å
564A73Confident77.3Confident19 Ų1962.2 Ų62.216%0.15731%0.312CS..Hα-helixtrans-58.1-42.5174.600000111.4Y370 K560 L562 E566 W567 R568Y370-A564 HydrophobicContact CE2-CB 3.83Å; K560-A564 WeakPolarHBondContact O-CB 3.49Å; K560-A564 PolarHBondContact O-N 2.96Å; L562-A564 VanDerWaalsContact C-N 3.35Å; L562-A564 PolarHBondContact O-N 3.32Å; A564-E566 PolarHBondContact O-N 2.82Å; A564-W567 PolarHBondContact O-N 2.87Å; A564-R568 WeakPolarHBondContact O-CB 3.32Å; A564-R568 WeakPolarHBondContact O-CG 3.34Å; A564-R568 PolarHBondContact O-N 2.83Å
565M72.9Confident76.9Confident96 Ų9657.6 Ų57.647%0.47329%0.291SS..Hα-helixtrans-64.4-34.4175.8-71.4-69-134.200113.5I401 S561 L562 I563 T569I401-M565 HydrophobicContact CD1-CB 4.38Å; S561-M565 WeakPolarHBondContact O-CB 3.47Å; S561-M565 WeakPolarHBondContact O-CG 3.42Å; S561-M565 PolarHBondContact O-N 2.89Å; L562-M565 WeakPolarHBondContact O-CB 3.12Å; L562-M565 PolarHBondContact O-N 3.44Å; I563-M565 VanDerWaalsContact C-N 3.29Å; I563-M565 PolarHBondContact O-N 2.84Å; M565-T569 WeakPolarHBondContact O-CB 3.49Å; M565-T569 PolarHBondContact O-N 3.14Å; M565-T569 PolarHBondContact O-OG1 2.96Å
566E75.6Confident76.7Confident37 Ų3757.3 Ų57.317%0.17329%0.287CS..Hα-helixtrans-65.3-47.9174-70.3-171.4152.600111.6V379 L562 I563 A564 R568 T569 L570V379-E566 HydrophobicContact CG2-CB 4Å; L562-E566 PolarHBondContact O-N 3.46Å; I563-E566 PolarHBondContact O-N 2.89Å; A564-E566 PolarHBondContact O-N 2.82Å; E566-R568 VanDerWaalsContact C-N 3.33Å; E566-R568 PolarHBondContact O-N 2.87Å; E566-T569 WeakPolarHBondContact O-CB 3.42Å; E566-T569 PolarHBondContact O-N 3.44Å; E566-T569 VanDerWaalsContact O-N 3.15Å; E566-L570 WeakPolarHBondContact O-CG 3.24Å; E566-L570 PolarHBondContact O-N 3.45Å
567W75.1Confident76.6Confident27 Ų2754.2 Ų54.210%0.10227%0.273CS..Hα-helixtrans-62.7-38.2176.1-76.6108.5000112.5L369 V379 I563 A564 T569 L570 A571L369-W567 HydrophobicContact CB-CE3 4.14Å; L369-W567 HydrophobicContact CB-CH2 4.23Å; L369-W567 HydrophobicContact CB-CZ3 3.95Å; L369-W567 HydrophobicContact CD1-CH2 4.03Å; L369-W567 HydrophobicContact CD1-CZ3 3.7Å; L369-W567 HydrophobicContact CD2-CH2 4.46Å; L369-W567 HydrophobicContact CG-CH2 4.48Å; L369-W567 HydrophobicContact CG-CZ3 4.36Å; V379-W567 HydrophobicContact CB-CZ2 4.48Å; V379-W567 HydrophobicContact CG2-CD2 4.07Å; V379-W567 HydrophobicContact CG2-CG 4.38Å; V379-W567 HydrophobicContact CG2-CZ2 4.2Å; I563-W567 VanDerWaalsContact O-CD1 3.32Å; I563-W567 PolarHBondContact O-N 3.26Å; I563-W567 VanDerWaalsContact O-N 3.13Å; A564-W567 PolarHBondContact O-N 2.87Å; W567-T569 VanDerWaalsContact C-N 3.35Å; W567-L570 HydrophobicContact CD2-CD1 4.41Å; W567-L570 HydrophobicContact CE3-CD1 3.89Å; W567-L570 HydrophobicContact CZ3-CD1 4.15Å; W567-L570 PolarHBondContact O-N 3.49Å; W567-A571 WeakPolarHBondContact O-CB 3.24Å; W567-A571 PolarHBondContact O-N 2.9Å
568R73.8Confident76.4Confident69 Ų6951.3 Ų51.326%0.2625%0.252SS..Hα-helixtrans-59.8-44.1171.4-74.1171.7162.3159.4-2.7112.2E309 Y370 A564 E566 L570 A571 I572E309-R568 WeakPolarHBondContact OE1-CD 3.41Å; E309-R568 WeakPolarHBondContact OE1-CG 3.13Å; E309-R568 IonicContact OE1-CZ 3.26Å; E309-R568 IonicContact OE1-NE 2.79Å; E309-R568 PolarHBondContact OE1-NE 2.79Å; E309-R568 IonicContact OE1-NH2 3.16Å; E309-R568 IonicContact OE2-CZ 2.73Å; E309-R568 IonicContact OE2-NE 2.75Å; E309-R568 PolarHBondContact OE2-NE 3.28Å; E309-R568 VanDerWaalsContact OE2-NE 3.11Å; E309-R568 IonicContact OE2-NH2 3.64Å; E309-R568 PolarHBondContact OE2-NH2 2.97Å; Y370-R568 HydrophobicContact CD2-CG 4.46Å; Y370-R568 HydrophobicContact CE2-CG 4.19Å; Y370-R568 PolarHBondContact OH-NH2 2.97Å; A564-R568 WeakPolarHBondContact O-CB 3.32Å; A564-R568 WeakPolarHBondContact O-CG 3.34Å; A564-R568 PolarHBondContact O-N 2.83Å; E566-R568 VanDerWaalsContact C-N 3.33Å; E566-R568 PolarHBondContact O-N 2.87Å; R568-L570 VanDerWaalsContact C-N 3.35Å; R568-L570 PolarHBondContact O-N 3.4Å; R568-A571 WeakPolarHBondContact O-CB 3.41Å; R568-A571 PolarHBondContact O-N 3.32Å; R568-I572 WeakPolarHBondContact O-CD1 3.35Å; R568-I572 VanDerWaalsContact O-CG1 3.26Å; R568-I572 WeakPolarHBondContact O-CG1 3.15Å; R568-I572 PolarHBondContact O-N 3.41Å
569T74Confident76.4Confident37 Ų3748.7 Ų48.723%0.22724%0.237CC..Hα-helixtrans-63.6-43.4178-55.40000110.7M565 E566 W567 A571 I572 V573M565-T569 WeakPolarHBondContact O-CB 3.49Å; M565-T569 PolarHBondContact O-N 3.14Å; M565-T569 PolarHBondContact O-OG1 2.96Å; E566-T569 WeakPolarHBondContact O-CB 3.42Å; E566-T569 PolarHBondContact O-N 3.44Å; E566-T569 VanDerWaalsContact O-N 3.15Å; W567-T569 VanDerWaalsContact C-N 3.35Å; T569-A571 PolarHBondContact O-N 3.18Å; T569-I572 PolarHBondContact O-N 3.5Å; T569-V573 VanDerWaalsContact O-CG2 3.3Å; T569-V573 WeakPolarHBondContact O-CG2 3.37Å; T569-V573 PolarHBondContact O-N 2.91Å
570L73.3Confident76.7Confident5 Ų547.9 Ų47.93%0.02623%0.232CC..Hα-helixtrans-60.6-44175.2-70.6172.1000112.3V379 I387 I388 E566 W567 R568 I572 V573 L574V379-L570 HydrophobicContact CB-CD1 4.14Å; V379-L570 HydrophobicContact CG1-CD1 3.49Å; V379-L570 VanDerWaalsContact CG1-CD1 3.49Å; V379-L570 HydrophobicContact CG2-CD1 3.49Å; V379-L570 VanDerWaalsContact CG2-CD1 3.49Å; I387-L570 HydrophobicContact CB-CD2 3.61Å; I387-L570 HydrophobicContact CD1-CD2 4.08Å; I387-L570 HydrophobicContact CG1-CD2 4.44Å; I387-L570 HydrophobicContact CG2-CD2 3.46Å; I387-L570 VanDerWaalsContact CG2-CD2 3.46Å; I388-L570 HydrophobicContact CD1-CD2 4.11Å; I388-L570 HydrophobicContact CG1-CD2 3.69Å; E566-L570 WeakPolarHBondContact O-CG 3.24Å; E566-L570 PolarHBondContact O-N 3.45Å; W567-L570 HydrophobicContact CD2-CD1 4.41Å; W567-L570 HydrophobicContact CE3-CD1 3.89Å; W567-L570 HydrophobicContact CZ3-CD1 4.15Å; W567-L570 PolarHBondContact O-N 3.49Å; R568-L570 VanDerWaalsContact C-N 3.35Å; R568-L570 PolarHBondContact O-N 3.4Å; L570-I572 VanDerWaalsContact C-N 3.35Å; L570-I572 PolarHBondContact O-N 3.17Å; L570-V573 PolarHBondContact O-N 2.9Å; L570-L574 WeakPolarHBondContact O-CG 3.39Å; L570-L574 PolarHBondContact O-N 3.29Å
571A73.5Confident77Confident5 Ų547 Ų474%0.04123%0.23CC..Hα-helixtrans-57.1-48.4176.900000112.1P308 V366 W567 R568 T569 V573 L574 D575P308-A571 HydrophobicContact CB-CB 4.25Å; P308-A571 HydrophobicContact CG-CB 3.6Å; V366-A571 HydrophobicContact CB-CB 4.38Å; V366-A571 HydrophobicContact CG1-CB 3.32Å; V366-A571 HydrophobicContact CG2-CB 4.19Å; W567-A571 WeakPolarHBondContact O-CB 3.24Å; W567-A571 PolarHBondContact O-N 2.9Å; R568-A571 WeakPolarHBondContact O-CB 3.41Å; R568-A571 PolarHBondContact O-N 3.32Å; T569-A571 PolarHBondContact O-N 3.18Å; A571-V573 VanDerWaalsContact C-N 3.32Å; A571-V573 PolarHBondContact O-N 3.09Å; A571-L574 PolarHBondContact O-N 3.31Å; A571-D575 VanDerWaalsContact O-CB 3.25Å; A571-D575 WeakPolarHBondContact O-CB 3.28Å; A571-D575 PolarHBondContact O-N 3.49Å
572I76.9Confident77.4Confident66 Ų6644 Ų4434%0.33821%0.21SC..Hα-helixtrans-64.8-38179.9-66.3163.4000111R568 T569 L570 R576R568-I572 WeakPolarHBondContact O-CD1 3.35Å; R568-I572 VanDerWaalsContact O-CG1 3.26Å; R568-I572 WeakPolarHBondContact O-CG1 3.15Å; R568-I572 PolarHBondContact O-N 3.41Å; T569-I572 PolarHBondContact O-N 3.5Å; L570-I572 VanDerWaalsContact C-N 3.35Å; L570-I572 PolarHBondContact O-N 3.17Å; I572-R576 WeakPolarHBondContact O-CB 3.45Å; I572-R576 VanDerWaalsContact O-CG 3.26Å; I572-R576 WeakPolarHBondContact O-CG 3.09Å; I572-R576 PolarHBondContact O-N 3.46Å
573V78.4Confident77.7Confident3 Ų342.8 Ų42.82%0.01820%0.203CC..Hα-helixtrans-66.5-46.8176.9171.60000111.1I387 I391 V397 T569 L570 A571 R576 L577I387-V573 HydrophobicContact CG2-CB 4.04Å; I387-V573 HydrophobicContact CG2-CG1 3.6Å; I391-V573 HydrophobicContact CB-CG1 4.06Å; I391-V573 HydrophobicContact CG2-CG1 3.52Å; V397-V573 HydrophobicContact CB-CG2 4.03Å; V397-V573 HydrophobicContact CG1-CG2 4.07Å; V397-V573 HydrophobicContact CG2-CG2 3.98Å; T569-V573 VanDerWaalsContact O-CG2 3.3Å; T569-V573 WeakPolarHBondContact O-CG2 3.37Å; T569-V573 PolarHBondContact O-N 2.91Å; L570-V573 PolarHBondContact O-N 2.9Å; A571-V573 VanDerWaalsContact C-N 3.32Å; A571-V573 PolarHBondContact O-N 3.09Å; V573-R576 PolarHBondContact O-N 3.4Å; V573-L577 PolarHBondContact O-N 3.41Å
574L76.3Confident78.1Confident37 Ų3745.6 Ų45.619%0.19422%0.221CC..Hα-helixtrans-61.8-48.3177.2-72.7175.5000110.9I387 L570 A571 R576 L577 F578I387-L574 HydrophobicContact CD1-CD1 4.28Å; I387-L574 HydrophobicContact CD1-CD2 4.1Å; I387-L574 HydrophobicContact CD1-CG 4.32Å; I387-L574 HydrophobicContact CG1-CD2 4.45Å; L570-L574 WeakPolarHBondContact O-CG 3.39Å; L570-L574 PolarHBondContact O-N 3.29Å; A571-L574 PolarHBondContact O-N 3.31Å; L574-R576 VanDerWaalsContact C-N 3.32Å; L574-R576 PolarHBondContact O-N 3.14Å; L574-L577 WeakPolarHBondContact O-CB 3.24Å; L574-L577 PolarHBondContact O-N 3.21Å; L574-L577 VanDerWaalsContact O-N 3.07Å; L574-F578 WeakPolarHBondContact O-CD2 3.35Å; L574-F578 PolarHBondContact O-N 3.09Å
575D77.6Confident78.4Confident20 Ų2046.9 Ų46.911%0.10723%0.227CC..Hα-helixtrans-58.5-42.7179.9-166.441.6000112.6K313 A571 F578 F579K313-D575 IonicContact NZ-OD1 2.79Å; K313-D575 PolarHBondContact NZ-OD1 3.32Å; K313-D575 IonicContact NZ-OD2 3.62Å; K313-D575 PolarHBondContact NZ-OD2 3.27Å; A571-D575 VanDerWaalsContact O-CB 3.25Å; A571-D575 WeakPolarHBondContact O-CB 3.28Å; A571-D575 PolarHBondContact O-N 3.49Å; D575-F578 PolarHBondContact O-N 3.04Å; D575-F579 PolarHBondContact O-N 2.87Å
576R80.8Confident78.8Confident125 Ų12543.7 Ų43.747%0.47221%0.212SC..Hα-helixtrans-66.8-36174.5-74.2175.3178.8-102.6-5.1112.9T395 I572 V573 L574 F579 F580T395-R576 HydrophobicContact CG2-CB 4.44Å; I572-R576 WeakPolarHBondContact O-CB 3.45Å; I572-R576 VanDerWaalsContact O-CG 3.26Å; I572-R576 WeakPolarHBondContact O-CG 3.09Å; I572-R576 PolarHBondContact O-N 3.46Å; V573-R576 PolarHBondContact O-N 3.4Å; L574-R576 VanDerWaalsContact C-N 3.32Å; L574-R576 PolarHBondContact O-N 3.14Å; R576-F579 WeakPolarHBondContact O-CB 3.45Å; R576-F579 PolarHBondContact O-N 2.95Å; R576-F580 WeakPolarHBondContact O-CD2 3.36Å; R576-F580 PolarHBondContact O-N 3.26Å
577L80.7Confident79Confident37 Ų3747 Ų4719%0.19423%0.23CC..Hα-helixtrans-60.2-47.9172.6177.269.1000110.4I391 T395 V573 L574 F579 F580 I581I391-L577 HydrophobicContact CD1-CD2 4Å; I391-L577 HydrophobicContact CG1-CD2 4.44Å; I391-L577 HydrophobicContact CG2-CB 4.1Å; I391-L577 HydrophobicContact CG2-CD1 4.18Å; I391-L577 HydrophobicContact CG2-CD2 4.03Å; I391-L577 HydrophobicContact CG2-CG 4.34Å; T395-L577 HydrophobicContact CG2-CB 4.05Å; V573-L577 PolarHBondContact O-N 3.41Å; L574-L577 WeakPolarHBondContact O-CB 3.24Å; L574-L577 PolarHBondContact O-N 3.21Å; L574-L577 VanDerWaalsContact O-N 3.07Å; L577-F579 VanDerWaalsContact C-N 3.3Å; L577-F579 PolarHBondContact O-N 2.72Å; L577-F580 PolarHBondContact O-N 3.47Å; L577-I581 HydrophobicContact CD1-CD1 4.45Å; L577-I581 HydrophobicContact CG-CD1 4.06Å; L577-I581 WeakPolarHBondContact O-CG1 3.34Å; L577-I581 PolarHBondContact O-N 3.44Å
578F77.4Confident79.3Confident35 Ų3551 Ų5115%0.15425%0.252CS..Hα-helixtrans-64.3-34.8176.1-77.8-78000112.7F304 L362 L574 D575 I581 Y582F304-F578 HydrophobicContact CD1-CB 4.36Å; F304-F578 HydrophobicContact CE1-CB 3.73Å; L362-F578 HydrophobicContact CD1-CD2 3.76Å; L362-F578 HydrophobicContact CD1-CE1 3.9Å; L362-F578 HydrophobicContact CD1-CE2 2.98Å; L362-F578 HydrophobicContact CD1-CZ 3.06Å; L362-F578 HydrophobicContact CG-CE2 4.44Å; L574-F578 WeakPolarHBondContact O-CD2 3.35Å; L574-F578 PolarHBondContact O-N 3.09Å; D575-F578 PolarHBondContact O-N 3.04Å; F578-I581 HydrophobicContact CD1-CD1 4.44Å; F578-I581 PolarHBondContact O-N 2.92Å; F578-Y582 WeakPolarHBondContact O-CB 3.32Å; F578-Y582 PolarHBondContact O-N 3.32Å
579F82.7Confident79.3Confident55 Ų5548.2 Ų48.224%0.24124%0.244CC..Hα-helixtrans-59.8-44.5172.4178.5-108.9000112.2L301 F304 D575 R576 L577 Y582 I583L301-F579 HydrophobicContact CD2-CD2 4.49Å; L301-F579 HydrophobicContact CD2-CE2 3.89Å; F304-F579 HydrophobicContact CB-CB 4.03Å; F304-F579 HydrophobicContact CB-CD2 3.5Å; F304-F579 HydrophobicContact CB-CE2 4.37Å; F304-F579 HydrophobicContact CB-CG 4.19Å; F304-F579 HydrophobicContact CD1-CB 4.4Å; F304-F579 HydrophobicContact CD2-CD2 4.28Å; F304-F579 HydrophobicContact CG-CB 4.23Å; F304-F579 HydrophobicContact CG-CD2 4.06Å; D575-F579 PolarHBondContact O-N 2.87Å; R576-F579 WeakPolarHBondContact O-CB 3.45Å; R576-F579 PolarHBondContact O-N 2.95Å; L577-F579 VanDerWaalsContact C-N 3.3Å; L577-F579 PolarHBondContact O-N 2.72Å; F579-Y582 PolarHBondContact O-N 3.43Å; F579-I583 HydrophobicContact CD1-CD1 3.92Å; F579-I583 HydrophobicContact CD2-CD1 4.35Å; F579-I583 HydrophobicContact CE1-CD1 3.32Å; F579-I583 HydrophobicContact CE1-CG1 4.41Å; F579-I583 HydrophobicContact CE2-CD1 3.83Å; F579-I583 HydrophobicContact CE2-CG1 4.28Å; F579-I583 HydrophobicContact CG-CD1 4.42Å; F579-I583 HydrophobicContact CZ-CD1 3.31Å; F579-I583 HydrophobicContact CZ-CG1 4.24Å; F579-I583 WeakPolarHBondContact O-CG1 3.48Å; F579-I583 PolarHBondContact O-N 3.42Å
580F83.9Confident79.3Confident94 Ų9449.9 Ų49.941%0.41225%0.254SS..Hα-helixtrans-66-45175.6-72.3-64.5000111.9T395 R576 L577 Y582 I583 T584T395-F580 HydrophobicContact CG2-CD2 4.4Å; T395-F580 HydrophobicContact CG2-CE2 4.49Å; R576-F580 WeakPolarHBondContact O-CD2 3.36Å; R576-F580 PolarHBondContact O-N 3.26Å; L577-F580 PolarHBondContact O-N 3.47Å; F580-Y582 PolarHBondContact O-N 3.16Å; F580-I583 PolarHBondContact O-N 3.34Å; F580-T584 WeakPolarHBondContact O-CG2 3.36Å; F580-T584 PolarHBondContact O-N 3.5Å; F580-T584 PolarHBondContact O-OG1 2.9Å
581I82.8Confident79.4Confident64 Ų6455 Ų5533%0.32829%0.285SS..Hα-helixtrans-56.7-44.1174.2-63.7168.9000109.2M355 L577 F578 T584 T585M355-I581 HydrophobicContact CE-CB 4.13Å; M355-I581 HydrophobicContact CE-CG2 3.57Å; M355-I581 HydrophobicContact SD-CG2 4.3Å; L577-I581 HydrophobicContact CD1-CD1 4.45Å; L577-I581 HydrophobicContact CG-CD1 4.06Å; L577-I581 WeakPolarHBondContact O-CG1 3.34Å; L577-I581 PolarHBondContact O-N 3.44Å; F578-I581 HydrophobicContact CD1-CD1 4.44Å; F578-I581 PolarHBondContact O-N 2.92Å; I581-T584 WeakPolarHBondContact CA-OG1 3.47Å; I581-T584 PolarHBondContact O-N 3.22Å; I581-T584 PolarHBondContact O-OG1 3.25Å; I581-T585 HydrophobicContact CG2-CG2 4.33Å; I581-T585 WeakPolarHBondContact O-CG2 3.44Å; I581-T585 PolarHBondContact O-N 3.49Å; I581-T585 PolarHBondContact O-OG1 3.47Å
582Y83.8Confident79.3Confident0 Ų058.5 Ų58.50%031%0.306CS..Hα-helixtrans-65.1-46-178.9-174.7-113.5000113T300 L301 F304 N352 M355 F578 F579 F580 T584 T585 I586T300-Y582 WeakPolarHBondContact CB-OH 3.4Å; T300-Y582 WeakPolarHBondContact OG1-CE1 3.46Å; T300-Y582 PolarHBondContact OG1-OH 2.93Å; L301-Y582 HydrophobicContact CD2-CD1 3.81Å; L301-Y582 HydrophobicContact CD2-CE1 3.8Å; L301-Y582 HydrophobicContact CG-CE1 4.37Å; F304-Y582 AromaticContact CD2-CD1 3.73Å; F304-Y582 HydrophobicContact CD2-CD1 3.73Å; F304-Y582 HydrophobicContact CD2-CE1 4.31Å; F304-Y582 HydrophobicContact CD2-CG 4.15Å; F304-Y582 AromaticContact CE2-CD1 3.36Å; F304-Y582 HydrophobicContact CE2-CD1 3.36Å; F304-Y582 AromaticContact CE2-CD2 3.98Å; F304-Y582 HydrophobicContact CE2-CD2 3.98Å; F304-Y582 AromaticContact CE2-CE1 3.93Å; F304-Y582 HydrophobicContact CE2-CE1 3.93Å; F304-Y582 AromaticContact CE2-CG 3.38Å; F304-Y582 HydrophobicContact CE2-CG 3.38Å; F304-Y582 HydrophobicContact CZ-CD1 4.39Å; F304-Y582 HydrophobicContact CZ-CD2 4.4Å; F304-Y582 AromaticContact CZ-CG 3.99Å; F304-Y582 HydrophobicContact CZ-CG 3.99Å; N352-Y582 WeakPolarHBondContact OD1-CE2 3.37Å; N352-Y582 PolarHBondContact OD1-OH 2.78Å; N352-Y582 VanDerWaalsContact OD1-OH 3.14Å; M355-Y582 HydrophobicContact CB-CD2 3.89Å; M355-Y582 HydrophobicContact CB-CE2 4.22Å; M355-Y582 HydrophobicContact CE-CD2 4.23Å; M355-Y582 HydrophobicContact CG-CD2 4.18Å; F578-Y582 WeakPolarHBondContact O-CB 3.32Å; F578-Y582 PolarHBondContact O-N 3.32Å; F579-Y582 PolarHBondContact O-N 3.43Å; F580-Y582 PolarHBondContact O-N 3.16Å; Y582-T584 VanDerWaalsContact C-N 3.3Å; Y582-T584 PolarHBondContact O-N 2.96Å; Y582-T585 VanDerWaalsContact CA-OG1 3.25Å; Y582-T585 WeakPolarHBondContact CA-OG1 3.42Å; Y582-T585 PolarHBondContact O-N 3.18Å; Y582-T585 PolarHBondContact O-OG1 3.1Å; Y582-I586 HydrophobicContact CD1-CD1 3.62Å; Y582-I586 HydrophobicContact CD1-CG1 4.42Å; Y582-I586 HydrophobicContact CE1-CD1 3.07Å; Y582-I586 HydrophobicContact CE1-CG1 3.99Å; Y582-I586 HydrophobicContact CE2-CD1 4.07Å; Y582-I586 HydrophobicContact CE2-CG1 4.1Å; Y582-I586 HydrophobicContact CG-CD1 4.32Å; Y582-I586 WeakPolarHBondContact O-CG1 3.25Å; Y582-I586 PolarHBondContact O-N 3.29Å
583I83.9Confident78.8Confident55 Ų5557.5 Ų57.528%0.28230%0.304SS..Hα-helixtrans-59.2-43.9172.6-74178.9000110.4L301 F579 F580 T585 I586 L587L301-I583 HydrophobicContact CD2-CG1 4.16Å; F579-I583 HydrophobicContact CD1-CD1 3.92Å; F579-I583 HydrophobicContact CD2-CD1 4.35Å; F579-I583 HydrophobicContact CE1-CD1 3.32Å; F579-I583 HydrophobicContact CE1-CG1 4.41Å; F579-I583 HydrophobicContact CE2-CD1 3.83Å; F579-I583 HydrophobicContact CE2-CG1 4.28Å; F579-I583 HydrophobicContact CG-CD1 4.42Å; F579-I583 HydrophobicContact CZ-CD1 3.31Å; F579-I583 HydrophobicContact CZ-CG1 4.24Å; F579-I583 WeakPolarHBondContact O-CG1 3.48Å; F579-I583 PolarHBondContact O-N 3.42Å; F580-I583 PolarHBondContact O-N 3.34Å; I583-T585 VanDerWaalsContact C-N 3.34Å; I583-T585 PolarHBondContact O-N 2.78Å; I583-I586 PolarHBondContact O-N 2.93Å; I583-L587 HydrophobicContact CG2-CD1 3.81Å; I583-L587 HydrophobicContact CG2-CG 4.32Å; I583-L587 WeakPolarHBondContact O-CB 3.19Å; I583-L587 VanDerWaalsContact O-CG 3.3Å; I583-L587 WeakPolarHBondContact O-CG 3.48Å; I583-L587 PolarHBondContact O-N 3.04Å
584T83.2Confident78.2Confident72 Ų7262 Ų6244%0.44233%0.332SS..Hα-helixtrans-64.3-39.4177.658.40000112F580 I581 Y582 L587 I588F580-T584 WeakPolarHBondContact O-CG2 3.36Å; F580-T584 PolarHBondContact O-N 3.5Å; F580-T584 PolarHBondContact O-OG1 2.9Å; I581-T584 WeakPolarHBondContact CA-OG1 3.47Å; I581-T584 PolarHBondContact O-N 3.22Å; I581-T584 PolarHBondContact O-OG1 3.25Å; Y582-T584 VanDerWaalsContact C-N 3.3Å; Y582-T584 PolarHBondContact O-N 2.96Å; T584-L587 PolarHBondContact O-N 2.86Å; T584-I588 WeakPolarHBondContact O-CB 3.45Å; T584-I588 WeakPolarHBondContact O-CD1 3.35Å; T584-I588 VanDerWaalsContact O-CG1 3.23Å; T584-I588 WeakPolarHBondContact O-CG1 3.38Å; T584-I588 PolarHBondContact O-N 2.89Å
585T80.1Confident77.3Confident45 Ų4562.2 Ų62.228%0.27634%0.335SS..Hα-helixtrans-67.8-39.2176.2520000112I581 Y582 I583 A589I581-T585 HydrophobicContact CG2-CG2 4.33Å; I581-T585 WeakPolarHBondContact O-CG2 3.44Å; I581-T585 PolarHBondContact O-N 3.49Å; I581-T585 PolarHBondContact O-OG1 3.47Å; Y582-T585 VanDerWaalsContact CA-OG1 3.25Å; Y582-T585 WeakPolarHBondContact CA-OG1 3.42Å; Y582-T585 PolarHBondContact O-N 3.18Å; Y582-T585 PolarHBondContact O-OG1 3.1Å; I583-T585 VanDerWaalsContact C-N 3.34Å; I583-T585 PolarHBondContact O-N 2.78Å; T585-A589 WeakPolarHBondContact O-CB 3.28Å; T585-A589 PolarHBondContact O-N 2.92Å
586I80.8Confident76.2Confident30 Ų3071.4 Ų71.415%0.15437%0.37CS..Hα-helixtrans-63.4-46.5173.3-71.8167.7000109.8L301 Y582 I583 I588 A589 V590L301-I586 HydrophobicContact CD2-CD1 4.18Å; Y582-I586 HydrophobicContact CD1-CD1 3.62Å; Y582-I586 HydrophobicContact CD1-CG1 4.42Å; Y582-I586 HydrophobicContact CE1-CD1 3.07Å; Y582-I586 HydrophobicContact CE1-CG1 3.99Å; Y582-I586 HydrophobicContact CE2-CD1 4.07Å; Y582-I586 HydrophobicContact CE2-CG1 4.1Å; Y582-I586 HydrophobicContact CG-CD1 4.32Å; Y582-I586 WeakPolarHBondContact O-CG1 3.25Å; Y582-I586 PolarHBondContact O-N 3.29Å; I583-I586 PolarHBondContact O-N 2.93Å; I586-I588 PolarHBondContact O-N 3.31Å; I586-A589 CarbonylContact O-C 3.54Å; I586-A589 PolarHBondContact O-N 3.3Å; I586-V590 HydrophobicContact CG2-CG2 3.88Å; I586-V590 WeakPolarHBondContact O-CB 3.41Å; I586-V590 VanDerWaalsContact O-CG2 3.26Å; I586-V590 WeakPolarHBondContact O-CG2 3.35Å; I586-V590 PolarHBondContact O-N 3.42Å
587L81Confident74.7Confident106 Ų10672.9 Ų72.956%0.55539%0.387SS*.Hα-helixtrans-61.1-46.9-179.2-75.8169.8000111.3I583 T584 A589 V590 V591I583-L587 HydrophobicContact CG2-CD1 3.81Å; I583-L587 HydrophobicContact CG2-CG 4.32Å; I583-L587 WeakPolarHBondContact O-CB 3.19Å; I583-L587 VanDerWaalsContact O-CG 3.3Å; I583-L587 WeakPolarHBondContact O-CG 3.48Å; I583-L587 PolarHBondContact O-N 3.04Å; T584-L587 PolarHBondContact O-N 2.86Å; L587-A589 VanDerWaalsContact C-N 3.32Å; L587-A589 PolarHBondContact O-N 3.13Å; L587-V590 PolarHBondContact O-N 3.26Å; L587-V591 WeakPolarHBondContact O-CB 3.23Å; L587-V591 VanDerWaalsContact O-CG2 3.24Å; L587-V591 WeakPolarHBondContact O-CG2 3.37Å; L587-V591 PolarHBondContact O-N 2.86Å
588I80.2Confident73.4Confident110 Ų11075.7 Ų75.756%0.56440%0.401SS*.Hα-helixtrans-59.6-46.2174.7-67.5164.6000109.9T584 I586 V591 V592T584-I588 WeakPolarHBondContact O-CB 3.45Å; T584-I588 WeakPolarHBondContact O-CD1 3.35Å; T584-I588 VanDerWaalsContact O-CG1 3.23Å; T584-I588 WeakPolarHBondContact O-CG1 3.38Å; T584-I588 PolarHBondContact O-N 2.89Å; I586-I588 PolarHBondContact O-N 3.31Å; I588-V591 PolarHBondContact O-N 3.4Å; I588-V592 HydrophobicContact CG2-CG2 4.42Å; I588-V592 WeakPolarHBondContact O-CB 3.4Å; I588-V592 VanDerWaalsContact O-CG2 3.27Å; I588-V592 WeakPolarHBondContact O-CG2 3.3Å; I588-V592 PolarHBondContact O-N 3.12Å
589A74.2Confident72.3Confident12 Ų1281.9 Ų81.910%0.09943%0.431CS..Hα-helixtrans-64.1-42.5179.800000112.6F348 T585 I586 L587 V591 V592 S593F348-A589 HydrophobicContact CD2-CB 3.33Å; F348-A589 HydrophobicContact CE2-CB 3.54Å; F348-A589 HydrophobicContact CG-CB 4.44Å; T585-A589 WeakPolarHBondContact O-CB 3.28Å; T585-A589 PolarHBondContact O-N 2.92Å; I586-A589 CarbonylContact O-C 3.54Å; I586-A589 PolarHBondContact O-N 3.3Å; L587-A589 VanDerWaalsContact C-N 3.32Å; L587-A589 PolarHBondContact O-N 3.13Å; A589-V591 VanDerWaalsContact C-N 3.35Å; A589-V592 PolarHBondContact O-N 3.49Å; A589-S593 WeakPolarHBondContact O-CA 3.48Å; A589-S593 WeakPolarHBondContact O-CB 3.46Å; A589-S593 PolarHBondContact O-N 3.09Å; A589-S593 PolarHBondContact O-OG 3.14Å
590V74.5Confident71.2Confident71 Ų7181 Ų8143%0.4343%0.428SS..Hα-helixtrans-63.5-42.6177169.50000110.3I586 L587 V592 S593 V594I586-V590 HydrophobicContact CG2-CG2 3.88Å; I586-V590 WeakPolarHBondContact O-CB 3.41Å; I586-V590 VanDerWaalsContact O-CG2 3.26Å; I586-V590 WeakPolarHBondContact O-CG2 3.35Å; I586-V590 PolarHBondContact O-N 3.42Å; L587-V590 PolarHBondContact O-N 3.26Å; V590-V592 VanDerWaalsContact C-N 3.32Å; V590-V592 PolarHBondContact O-N 2.9Å; V590-S593 PolarHBondContact O-N 3.1Å; V590-V594 HydrophobicContact CG1-CG2 4.05Å; V590-V594 WeakPolarHBondContact O-CB 3.41Å; V590-V594 VanDerWaalsContact O-CG2 3.27Å; V590-V594 WeakPolarHBondContact O-CG2 3.25Å; V590-V594 PolarHBondContact O-N 3.11Å
591V74.8Confident69.9Low114 Ų11484.5 Ų84.569%0.69145%0.446SS*.Hα-helixtrans-62.7-38.9176.2170.90000111.7L587 I588 A589L587-V591 WeakPolarHBondContact O-CB 3.23Å; L587-V591 VanDerWaalsContact O-CG2 3.24Å; L587-V591 WeakPolarHBondContact O-CG2 3.37Å; L587-V591 PolarHBondContact O-N 2.86Å; I588-V591 PolarHBondContact O-N 3.4Å; A589-V591 VanDerWaalsContact C-N 3.35Å
592V72Confident68.7Low78 Ų7884.1 Ų84.147%0.47344%0.444SS..Hα-helixtrans-76.6-34.4177.4173.10000112.3L344 I588 A589 V590L344-V592 HydrophobicContact CD1-CG1 4.45Å; L344-V592 HydrophobicContact CD2-CG1 4.36Å; I588-V592 HydrophobicContact CG2-CG2 4.42Å; I588-V592 WeakPolarHBondContact O-CB 3.4Å; I588-V592 VanDerWaalsContact O-CG2 3.27Å; I588-V592 WeakPolarHBondContact O-CG2 3.3Å; I588-V592 PolarHBondContact O-N 3.12Å; A589-V592 PolarHBondContact O-N 3.49Å; V590-V592 VanDerWaalsContact C-N 3.32Å; V590-V592 PolarHBondContact O-N 2.9Å
593S65.6Low67.5Low44 Ų4487 Ų8731%0.30846%0.462SS..Hα-helixtrans-88.4-20.9-172.2-52.40000113.6A589 V590 P595A589-S593 WeakPolarHBondContact O-CA 3.48Å; A589-S593 WeakPolarHBondContact O-CB 3.46Å; A589-S593 PolarHBondContact O-N 3.09Å; A589-S593 PolarHBondContact O-OG 3.14Å; V590-S593 PolarHBondContact O-N 3.1Å; S593-P595 WeakPolarHBondContact O-CD 3.34Å
594V65.8Low66.1Low97 Ų9788.6 Ų88.659%0.58848%0.484SS*.SBendtrans-85.5101.8172.3176.30000107.3V590 Y596V590-V594 HydrophobicContact CG1-CG2 4.05Å; V590-V594 WeakPolarHBondContact O-CB 3.41Å; V590-V594 VanDerWaalsContact O-CG2 3.27Å; V590-V594 WeakPolarHBondContact O-CG2 3.25Å; V590-V594 PolarHBondContact O-N 3.11Å; V594-Y596 PolarHBondContact O-N 3.38Å; V594-Y596 VanDerWaalsContact O-N 3.1Å
595P58.4Low64.8Low42 Ų4291.8 Ų91.827%0.27349%0.494SS..  trans-67.8115.5-178.328.4-33.3000108.9Y177 F180 S593 N597Y177-P595 HydrophobicContact CD1-CB 4.5Å; F180-P595 HydrophobicContact CB-CG 4.32Å; F180-P595 HydrophobicContact CD2-CG 4.11Å; F180-P595 HydrophobicContact CG-CG 4.36Å; S593-P595 WeakPolarHBondContact O-CD 3.34Å; P595-N597 VanDerWaalsContact C-N 3.28Å; P595-N597 PolarHBondContact O-N 3.42Å
596Y53.3Low63.6Low213 Ų21391.4 Ų91.484%0.83549%0.489SS*.  trans-69.187.3164.7-171.9-90.6000108V594 I598V594-Y596 PolarHBondContact O-N 3.38Å; V594-Y596 VanDerWaalsContact O-N 3.1Å; Y596-I598 VanDerWaalsContact O-CG1 3.24Å; Y596-I598 WeakPolarHBondContact O-CG1 2.95Å; Y596-I598 PolarHBondContact O-N 2.92Å
597N50.2Low62.3Low156 Ų15699.3 Ų99.383%0.83452%0.517SS*.  trans2454.9169-73.5-17.7000115.3P595 E599P595-N597 VanDerWaalsContact C-N 3.28Å; P595-N597 PolarHBondContact O-N 3.42Å; N597-E599 VanDerWaalsContact C-N 3.34Å; N597-E599 PolarHBondContact O-N 3.4Å
598I53.7Low60.9Low96 Ų9698.6 Ų98.649%0.49251%0.514SS..  trans-78.896.2177.2-57178.4000104.9Y177 Y596 I600Y177-I598 HydrophobicContact CE1-CD1 4.36Å; Y596-I598 VanDerWaalsContact O-CG1 3.24Å; Y596-I598 WeakPolarHBondContact O-CG1 2.95Å; Y596-I598 PolarHBondContact O-N 2.92Å; I598-I600 PolarHBondContact O-N 2.94Å
599E54.7Low59.2Low165 Ų16597.6 Ų97.677%0.77152%0.516SS*.  trans-57.4111.1155.6-71.2-174.716700106N597 E601N597-E599 VanDerWaalsContact C-N 3.34Å; N597-E599 PolarHBondContact O-N 3.4Å; E599-E601 PolarHBondContact O-N 3.08Å
600I57.9Low57.5Low36 Ų36105.6 Ų105.619%0.18555%0.552CS.*  trans-56.6114.3177-58.4-175.6000106.8T182 I598 I602T182-I600 HydrophobicContact CG2-CD1 4.48Å; T182-I600 WeakPolarHBondContact O-CD1 3.49Å; I598-I600 PolarHBondContact O-N 2.94Å; I600-I602 PolarHBondContact O-N 3.13Å
601E56.3Low55.5Low169 Ų169114.2 Ų114.279%0.7959%0.587SS**PPolyproline II helixtrans-54.7127.4172.1-76.9-174.6164.400108E599 P603E599-E601 PolarHBondContact O-N 3.08Å; E601-P603 WeakPolarHBondContact O-CD 3.45Å; E601-P603 VanDerWaalsContact O-N 3.17Å
602I58.9Low54.6Low56 Ų56114.2 Ų114.229%0.28758%0.582SS.*PPolyproline II helixtrans-55.4123.5176-66169.5000107.1I247 I600 A604 F606I247-I602 HydrophobicContact CD1-CD1 4.33Å; I247-I602 HydrophobicContact CD1-CG1 4.38Å; I247-I602 HydrophobicContact CG1-CD1 4.17Å; I247-I602 HydrophobicContact CG2-CD1 4.17Å; I600-I602 PolarHBondContact O-N 3.13Å; I602-A604 PolarHBondContact O-N 3.17Å; I602-F606 HydrophobicContact CG2-CB 3.51Å; I602-F606 HydrophobicContact CG2-CD2 4.39Å; I602-F606 HydrophobicContact CG2-CG 4.36Å
603P57.4Low53.6Low59 Ų59116.1 Ų116.138%0.38359%0.587SS.*PPolyproline II helixtrans-53.7144.2-176.1-24.930.2000111.3E601 E605 F606E601-P603 WeakPolarHBondContact O-CD 3.45Å; E601-P603 VanDerWaalsContact O-N 3.17Å; P603-E605 PolarHBondContact O-N 2.87Å; P603-F606 HydrophobicContact CB-CD2 3.6Å; P603-F606 HydrophobicContact CB-CE2 3.77Å; P603-F606 HydrophobicContact CG-CD2 3.74Å; P603-F606 HydrophobicContact CG-CE2 3.7Å; P603-F606 PolarHBondContact O-N 3.27Å
604A55.6Low53Low90 Ų90120.1 Ų120.174%0.74460%0.603SS**G310 helixtrans-55.6-24.6-174.400000113.9I602 F606 R607I602-A604 PolarHBondContact O-N 3.17Å; A604-F606 PolarHBondContact O-N 3.11Å; A604-R607 PolarHBondContact O-N 3.12Å
605E54.9Low52.2Low138 Ų138121.5 Ų121.565%0.64560%0.604SS**G310 helixtrans-64.9-20.8174.3-172.7171.9-178.900113.9P603P603-E605 PolarHBondContact O-N 2.87Å
606F55.3Low51.8Low38 Ų38126.4 Ų126.417%0.16763%0.625CS.*G310 helixtrans-105.6-9.5-179.8-53.3-75.7000113.7M186 L275 I602 P603 A604 D608M186-F606 HydrophobicContact SD-CE1 3.78Å; M186-F606 HydrophobicContact SD-CZ 4.22Å; L275-F606 HydrophobicContact CD1-CB 4.18Å; L275-F606 HydrophobicContact CD1-CD1 4.12Å; L275-F606 HydrophobicContact CD1-CG 4.46Å; L275-F606 HydrophobicContact CD2-CD1 3.57Å; L275-F606 HydrophobicContact CD2-CE1 3.75Å; L275-F606 HydrophobicContact CD2-CG 4.4Å; I602-F606 HydrophobicContact CG2-CB 3.51Å; I602-F606 HydrophobicContact CG2-CD2 4.39Å; I602-F606 HydrophobicContact CG2-CG 4.36Å; P603-F606 HydrophobicContact CB-CD2 3.6Å; P603-F606 HydrophobicContact CB-CE2 3.77Å; P603-F606 HydrophobicContact CG-CD2 3.74Å; P603-F606 HydrophobicContact CG-CE2 3.7Å; P603-F606 PolarHBondContact O-N 3.27Å; A604-F606 PolarHBondContact O-N 3.11Å; F606-D608 PolarHBondContact O-N 3.4Å
607R54.5Low51.7Low196 Ų196120.7 Ų120.774%0.7461%0.611SS**SBendtrans-66.8131.2169.3-118.3174.3143.2156.8-5.1107.1A604 S609A604-R607 PolarHBondContact O-N 3.12Å; R607-S609 PolarHBondContact O-N 3.36Å
608D51.1Low51.9Low91 Ų91118.1 Ų118.149%0.48760%0.595SS.*  trans-44.1114.5-177.3-65.1-54.5000110.4F606 E610F606-D608 PolarHBondContact O-N 3.4Å; D608-E610 HydrophobicContact CB-CG 4.02Å; D608-E610 PolarHBondContact O-N 3.21Å
609S44.7Very low51.7Low88 Ų88119.8 Ų119.862%0.61560%0.602SS**  trans-73.480151.660.50000105.2R607 E611R607-S609 PolarHBondContact O-N 3.36Å; S609-E611 PolarHBondContact O-N 3.25Å
610E37.2Very low51.5Low181 Ų181116.1 Ų116.185%0.84659%0.588SS**  trans-66.976.2158-75-171.5157.600107.3D608D608-E610 HydrophobicContact CB-CG 4.02Å; D608-E610 PolarHBondContact O-N 3.21Å
611E33.8Very low50.9Low251 Ų251123.4 Ų123.4100%1.17363%0.625SS**  trans-117.60152.7-73.5-172.5174.800107.2S609S609-E611 PolarHBondContact O-N 3.25Å

Retrieved 611 of 611 residues in 1088.9 ms (Link to these results)

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