A0A078BTK0_CAEEL Loading...

G-protein coupled receptors family 1 profile domain-containing protein

AlphaFold DB , UniProt , Accession A0A078BTK0, Species CAEEL (Caenorhabditis elegans), Gene npr-4, Length 376 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M44.7Very low70.5Confident246 Ų24698.5 Ų98.5100%1.21259%0.59SS**  0114.90-74.9165.1167.600106.5
2N40.2Very low71.8Confident154 Ų15493.8 Ų93.882%0.82456%0.557SS**  trans-66.1140.9179.9-87.7-12.1000109.6S4N2-S4 VanDerWaalsContact C-N 3.25Å; N2-S4 PolarHBondContact O-N 2.61Å
3G50.7Low72.7Confident93 Ų9388.3 Ų88.396%0.95952%0.523SS*.THydrogen-bonded Turntrans-72.958.1-170.800000116
4S57.5Low73.4Confident92 Ų9288.3 Ų88.364%0.64351%0.51SS*.THydrogen-bonded Turntrans-144.5-7.1176.252.70000116.1N2 C6N2-S4 VanDerWaalsContact C-N 3.25Å; N2-S4 PolarHBondContact O-N 2.61Å; S4-C6 PolarHBondContact O-N 3.17Å
5D73.6Confident74.1Confident156 Ų15690.5 Ų90.583%0.83452%0.518SS*.  trans-100.369.9-176.9-66.4-12.8000111
6C83.3Confident74.7Confident65 Ų6596.5 Ų96.544%0.43953%0.532SS..PPolyproline II helixtrans-86.9148165.961.30000110.1S4 C173S4-C6 PolarHBondContact O-N 3.17Å; C6-C173 HydrophobicContact CB-CB 3.99Å; C6-C173 WeakPolarHBondContact CB-SG 3.42Å; C6-C173 PolarHBondContact O-SG 3.35Å; C6-C173 WeakPolarHBondContact SG-CA 3.36Å; C6-C173 WeakPolarHBondContact SG-CB 3.37Å; C6-C173 CovalentContact SG-SG 2.03Å; C6-C173 PolarHBondContact SG-SG 3.26Å
7L86.4Confident75.1Confident74 Ų7497.9 Ų97.939%0.38753%0.527SS..BIsolated β-bridgetrans-85.8136.2179.6-60.9170.2000110.8L9 E12 N171 F172 C173L7-L9 PolarHBondContact O-N 3.42Å; L7-E12 HydrophobicContact CB-CG 3.97Å; L7-E12 HydrophobicContact CD1-CG 4.42Å; L7-N171 VanDerWaalsContact CB-O 3.27Å; L7-N171 WeakPolarHBondContact CB-O 3.39Å; L7-N171 PolarHBondContact N-O 3.4Å; L7-F172 HydrophobicContact CB-CD1 4.1Å; L7-F172 HydrophobicContact CB-CE1 4.36Å; L7-F172 WeakPolarHBondContact O-CA 3.33Å; L7-C173 PolarHBondContact O-N 2.69Å
8N86.1Confident75.6Confident81 Ų81100.2 Ų100.243%0.43353%0.534SS..PPolyproline II helixtrans-79.5116.4171.5-172.6-68.6000109.9N10 S11 E12N8-N10 PolarHBondContact O-N 3.09Å; N8-N10 VanDerWaalsContact OD1-CB 3.24Å; N8-N10 WeakPolarHBondContact OD1-CB 3.44Å; N8-N10 PolarHBondContact OD1-N 2.86Å; N8-S11 WeakPolarHBondContact O-CB 3.2Å; N8-S11 PolarHBondContact O-N 3.27Å; N8-S11 PolarHBondContact OD1-N 3.41Å; N8-E12 PolarHBondContact O-N 3.03Å; N8-E12 VanDerWaalsContact O-N 3.1Å
9L84.8Confident76Confident28 Ų2895.1 Ų95.115%0.14751%0.506CS..Hα-helixtrans-59.5-31.5-176.1-177.462.1000113.5L7 L13 K91 F172 Y176L7-L9 PolarHBondContact O-N 3.42Å; L9-L13 HydrophobicContact CD1-CD1 3.97Å; L9-L13 HydrophobicContact CD1-CG 4.05Å; L9-L13 HydrophobicContact CD2-CD1 4.4Å; L9-L13 HydrophobicContact CG-CD1 3.8Å; L9-L13 HydrophobicContact CG-CG 4.34Å; L9-L13 WeakPolarHBondContact O-CB 3.47Å; L9-L13 WeakPolarHBondContact O-CG 3.41Å; L9-L13 PolarHBondContact O-N 2.91Å; L9-K91 HydrophobicContact CD2-CB 3.98Å; L9-K91 HydrophobicContact CG-CB 4.39Å; L9-F172 HydrophobicContact CB-CD1 3.95Å; L9-F172 HydrophobicContact CB-CE1 4.35Å; L9-F172 HydrophobicContact CD1-CD1 3.9Å; L9-F172 HydrophobicContact CD1-CE1 3.54Å; L9-F172 HydrophobicContact CD1-CZ 4.01Å; L9-Y176 HydrophobicContact CD2-CE1 3.61Å
10N84.8Confident76.6Confident31 Ų3194 Ų9417%0.16650%0.5CS..Hα-helixtrans-65.7-42.7175.9-102.2-65.7000111.6N8 W14 S22 F89 K90 K91N8-N10 PolarHBondContact O-N 3.09Å; N8-N10 VanDerWaalsContact OD1-CB 3.24Å; N8-N10 WeakPolarHBondContact OD1-CB 3.44Å; N8-N10 PolarHBondContact OD1-N 2.86Å; N10-W14 PolarHBondContact O-N 3.34Å; N10-S22 PolarHBondContact O-OG 2.72Å; N10-S22 PolarHBondContact OD1-OG 2.82Å; N10-F89 PolarHBondContact ND2-O 2.94Å; N10-K90 PolarHBondContact ND2-O 3.28Å; N10-K91 WeakPolarHBondContact OD1-CD 3.49Å; N10-K91 WeakPolarHBondContact OD1-CE 3.24Å; N10-K91 PolarHBondContact OD1-NZ 2.9Å
11S83.9Confident77.1Confident64 Ų6489.5 Ų89.545%0.44848%0.477SS..Hα-helixtrans-64.1-44.5176.7-57.10000111.6N8 W14 L15N8-S11 WeakPolarHBondContact O-CB 3.2Å; N8-S11 PolarHBondContact O-N 3.27Å; N8-S11 PolarHBondContact OD1-N 3.41Å; S11-W14 PolarHBondContact O-N 3.2Å; S11-L15 WeakPolarHBondContact O-CG 3.39Å; S11-L15 PolarHBondContact O-N 3.03Å
12E86Confident79Confident41 Ų4179.2 Ų79.219%0.19243%0.429CS..Hα-helixtrans-63.7-46.7179.4-67.7-65.1125.500112L7 N8 W14 L15 Y16 F172L7-E12 HydrophobicContact CB-CG 3.97Å; L7-E12 HydrophobicContact CD1-CG 4.42Å; N8-E12 PolarHBondContact O-N 3.03Å; N8-E12 VanDerWaalsContact O-N 3.1Å; E12-W14 VanDerWaalsContact C-N 3.27Å; E12-W14 PolarHBondContact O-N 3.21Å; E12-L15 PolarHBondContact O-N 3.48Å; E12-Y16 WeakPolarHBondContact O-CD2 3.33Å; E12-Y16 PolarHBondContact O-N 3.34Å; E12-Y16 WeakPolarHBondContact OE2-CE2 3.36Å; E12-F172 HydrophobicContact CB-CE1 4.23Å; E12-F172 HydrophobicContact CG-CE1 4Å
13L83.6Confident81.4Confident23 Ų2376.4 Ų76.412%0.1241%0.407CS..Hα-helixtrans-63.9-32.8178.8-76.2166.9000112.9L9 R17 E18 D19 K91 Y292L9-L13 HydrophobicContact CD1-CD1 3.97Å; L9-L13 HydrophobicContact CD1-CG 4.05Å; L9-L13 HydrophobicContact CD2-CD1 4.4Å; L9-L13 HydrophobicContact CG-CD1 3.8Å; L9-L13 HydrophobicContact CG-CG 4.34Å; L9-L13 WeakPolarHBondContact O-CB 3.47Å; L9-L13 WeakPolarHBondContact O-CG 3.41Å; L9-L13 PolarHBondContact O-N 2.91Å; L13-R17 CarbonylContact O-C 3.22Å; L13-R17 WeakPolarHBondContact O-CA 3.37Å; L13-R17 WeakPolarHBondContact O-CB 3.15Å; L13-R17 PolarHBondContact O-N 3.03Å; L13-E18 PolarHBondContact O-N 3.49Å; L13-D19 HydrophobicContact CB-CB 4.11Å; L13-D19 PolarHBondContact O-N 3.47Å; L13-K91 HydrophobicContact CD1-CD 3.34Å; L13-K91 VanDerWaalsContact CD1-NZ 3.32Å; L13-Y292 HydrophobicContact CD1-CD2 4.21Å; L13-Y292 HydrophobicContact CD1-CE2 3.6Å
14W82.3Confident83.2Confident88 Ų8880.7 Ų80.733%0.33339%0.394SS..Hα-helixtrans-67.5-47.7172.2177.5-106000111.6N10 S11 E12 Y16 E18 R23N10-W14 PolarHBondContact O-N 3.34Å; S11-W14 PolarHBondContact O-N 3.2Å; E12-W14 VanDerWaalsContact C-N 3.27Å; E12-W14 PolarHBondContact O-N 3.21Å; W14-Y16 PolarHBondContact O-N 2.68Å; W14-E18 HydrophobicContact CZ3-CB 4.36Å; W14-E18 VanDerWaalsContact O-CA 3.26Å; W14-E18 WeakPolarHBondContact O-CA 3.46Å; W14-E18 PolarHBondContact O-N 3.06Å; W14-R23 HydrophobicContact CZ3-CG 4.06Å
15L84.3Confident84.8Confident122 Ų12280.6 Ų80.664%0.63938%0.38SS*.Hα-helixtrans-63.6-38.7-177.3-73.7166.7000113.2S11 E12S11-L15 WeakPolarHBondContact O-CG 3.39Å; S11-L15 PolarHBondContact O-N 3.03Å; E12-L15 PolarHBondContact O-N 3.48Å
16Y83.2Confident85.8Confident186 Ų18675.1 Ų75.173%0.72935%0.351SS*.Hα-helixtrans-101.6-24.1-173.4-70.6-79.4000114.9E12 W14E12-Y16 WeakPolarHBondContact O-CD2 3.33Å; E12-Y16 PolarHBondContact O-N 3.34Å; E12-Y16 WeakPolarHBondContact OE2-CE2 3.36Å; W14-Y16 PolarHBondContact O-N 2.68Å
17R81.9Confident86.2Confident121 Ų12175.3 Ų75.346%0.45735%0.346SS..Hα-helixtrans-124.1-1.7-177.2-64.4-167.2-179.7-132.40.9114.4L13 D19 K288 Q290L13-R17 CarbonylContact O-C 3.22Å; L13-R17 WeakPolarHBondContact O-CA 3.37Å; L13-R17 WeakPolarHBondContact O-CB 3.15Å; L13-R17 PolarHBondContact O-N 3.03Å; R17-D19 PolarHBondContact O-N 3.03Å; R17-D19 VanDerWaalsContact O-N 3.16Å; R17-K288 PolarHBondContact NH1-O 3.32Å; R17-K288 VanDerWaalsContact NH1-O 3.17Å; R17-Q290 PolarHBondContact O-NE2 2.86Å
18E83.8Confident86.5Confident138 Ų13876.7 Ų76.765%0.64535%0.353SS*.  trans48.240.5-172.5-59.6-174167.800111.6L13 W14 L20 Q290L13-E18 PolarHBondContact O-N 3.49Å; W14-E18 HydrophobicContact CZ3-CB 4.36Å; W14-E18 VanDerWaalsContact O-CA 3.26Å; W14-E18 WeakPolarHBondContact O-CA 3.46Å; W14-E18 PolarHBondContact O-N 3.06Å; E18-L20 PolarHBondContact O-N 3.46Å; E18-Q290 PolarHBondContact O-NE2 2.8Å
19D83.4Confident87Confident3 Ų376.8 Ų76.82%0.01636%0.356CS..  trans-63.7109.9-174.3-177.7-6.7000110.6L13 R17 S21 S22 K91 Y292L13-D19 HydrophobicContact CB-CB 4.11Å; L13-D19 PolarHBondContact O-N 3.47Å; R17-D19 PolarHBondContact O-N 3.03Å; R17-D19 VanDerWaalsContact O-N 3.16Å; D19-S21 PolarHBondContact O-N 2.88Å; D19-S21 VanDerWaalsContact O-N 3.15Å; D19-S21 VanDerWaalsContact OD1-CB 3.25Å; D19-S21 WeakPolarHBondContact OD1-CB 3.26Å; D19-S21 PolarHBondContact OD1-N 3.47Å; D19-S21 PolarHBondContact OD1-OG 2.99Å; D19-S21 PolarHBondContact OD2-OG 3.19Å; D19-S22 PolarHBondContact O-N 3.02Å; D19-K91 IonicContact OD2-NZ 3.28Å; D19-K91 PolarHBondContact OD2-NZ 3.03Å; D19-Y292 WeakPolarHBondContact OD2-CD2 3.47Å
20L86.7Confident87.5Confident73 Ų7376.7 Ų76.738%0.38236%0.355SS..G310 helixtrans-70.2-13.2-174.9-38.2145.7000112E18 S22 R23 I26 I293E18-L20 PolarHBondContact O-N 3.46Å; L20-S22 PolarHBondContact O-N 2.98Å; L20-R23 HydrophobicContact CB-CG 4.37Å; L20-R23 VanDerWaalsContact O-CB 3.3Å; L20-R23 WeakPolarHBondContact O-CB 3.39Å; L20-R23 WeakPolarHBondContact O-CG 3.08Å; L20-R23 PolarHBondContact O-N 2.89Å; L20-I26 HydrophobicContact CB-CG1 4.41Å; L20-I26 WeakPolarHBondContact O-CG1 3.36Å; L20-I293 HydrophobicContact CB-CD1 3.34Å; L20-I293 HydrophobicContact CD1-CD1 3.68Å; L20-I293 HydrophobicContact CG-CD1 3.87Å
21S87.4Confident88Confident1 Ų177.9 Ų77.91%0.00737%0.368CS..G310 helixtrans-63-22.1174.168.60000112.4D19 R23 M27 F89 K91 Y292D19-S21 PolarHBondContact O-N 2.88Å; D19-S21 VanDerWaalsContact O-N 3.15Å; D19-S21 VanDerWaalsContact OD1-CB 3.25Å; D19-S21 WeakPolarHBondContact OD1-CB 3.26Å; D19-S21 PolarHBondContact OD1-N 3.47Å; D19-S21 PolarHBondContact OD1-OG 2.99Å; D19-S21 PolarHBondContact OD2-OG 3.19Å; S21-R23 PolarHBondContact O-N 2.92Å; S21-M27 WeakPolarHBondContact O-CG 3.34Å; S21-F89 WeakPolarHBondContact O-CD1 3.4Å; S21-K91 WeakPolarHBondContact OG-CE 3.39Å; S21-K91 PolarHBondContact OG-NZ 3.26Å; S21-Y292 WeakPolarHBondContact OG-CB 3.38Å
22S86.3Confident88.6Confident29 Ų2981 Ų8120%0.20337%0.374CS..G310 helixtrans-78.8-4.4175.4-63.30000113.5N10 D19 L20 K91N10-S22 PolarHBondContact O-OG 2.72Å; N10-S22 PolarHBondContact OD1-OG 2.82Å; D19-S22 PolarHBondContact O-N 3.02Å; L20-S22 PolarHBondContact O-N 2.98Å; S22-K91 PolarHBondContact OG-NZ 3.25Å
23R89.5Confident89.1Confident95 Ų9582.5 Ų82.536%0.35838%0.383SS..SBendtrans-86126.7-179.3-56.3-70.3-88-175.4-5.3110.6W14 L20 S21 Y25 I26 M27W14-R23 HydrophobicContact CZ3-CG 4.06Å; L20-R23 HydrophobicContact CB-CG 4.37Å; L20-R23 VanDerWaalsContact O-CB 3.3Å; L20-R23 WeakPolarHBondContact O-CB 3.39Å; L20-R23 WeakPolarHBondContact O-CG 3.08Å; L20-R23 PolarHBondContact O-N 2.89Å; S21-R23 PolarHBondContact O-N 2.92Å; R23-Y25 VanDerWaalsContact C-N 3.27Å; R23-Y25 HydrophobicContact CB-CD1 4.09Å; R23-Y25 HydrophobicContact CB-CE1 3.59Å; R23-Y25 HydrophobicContact CB-CE2 4.27Å; R23-Y25 HydrophobicContact CG-CE1 4.13Å; R23-Y25 PolarHBondContact NE-OH 3.15Å; R23-Y25 PolarHBondContact O-N 3.45Å; R23-Y25 VanDerWaalsContact O-N 3.16Å; R23-I26 HydrophobicContact CB-CB 4.46Å; R23-I26 HydrophobicContact CB-CG1 4.09Å; R23-I26 PolarHBondContact O-N 3.16Å; R23-M27 WeakPolarHBondContact O-CG 3.36Å; R23-M27 PolarHBondContact O-N 2.74Å; R23-M27 VanDerWaalsContact O-N 3.09Å
24W88.6Confident89.8Confident184 Ų18481.7 Ų81.770%0.69738%0.379SS*.Hα-helixtrans-56.1-36.2-17668.2-92.2000113.9M27 L28W24-M27 WeakPolarHBondContact O-CB 3.34Å; W24-M27 PolarHBondContact O-N 3.37Å; W24-L28 HydrophobicContact CE3-CD1 3.5Å; W24-L28 HydrophobicContact CE3-CG 4.33Å; W24-L28 HydrophobicContact CZ3-CD1 3.51Å; W24-L28 WeakPolarHBondContact O-CG 3.42Å; W24-L28 PolarHBondContact O-N 3.15Å
25Y91.8Very high90.5Very high90 Ų9082.9 Ų82.935%0.35339%0.391SS..Hα-helixtrans-70.3-35.4178.657.5-93.4000112.5R23 L28 V29R23-Y25 VanDerWaalsContact C-N 3.27Å; R23-Y25 HydrophobicContact CB-CD1 4.09Å; R23-Y25 HydrophobicContact CB-CE1 3.59Å; R23-Y25 HydrophobicContact CB-CE2 4.27Å; R23-Y25 HydrophobicContact CG-CE1 4.13Å; R23-Y25 PolarHBondContact NE-OH 3.15Å; R23-Y25 PolarHBondContact O-N 3.45Å; R23-Y25 VanDerWaalsContact O-N 3.16Å; Y25-L28 PolarHBondContact O-N 2.78Å; Y25-V29 WeakPolarHBondContact O-CG2 3.48Å; Y25-V29 PolarHBondContact O-N 3.02Å; Y25-V29 VanDerWaalsContact O-N 3.1Å
26I92.9Very high91.1Very high41 Ų4181 Ų8121%0.2138%0.381CS..Hα-helixtrans-65.7-44.3173.4-61.6-59.7000109.7L20 R23 L28 V29 F30L20-I26 HydrophobicContact CB-CG1 4.41Å; L20-I26 WeakPolarHBondContact O-CG1 3.36Å; R23-I26 HydrophobicContact CB-CB 4.46Å; R23-I26 HydrophobicContact CB-CG1 4.09Å; R23-I26 PolarHBondContact O-N 3.16Å; I26-L28 VanDerWaalsContact C-N 3.32Å; I26-L28 PolarHBondContact O-N 3.18Å; I26-V29 PolarHBondContact O-N 3.13Å; I26-F30 HydrophobicContact CG2-CD2 3.84Å; I26-F30 HydrophobicContact CG2-CE2 3.94Å; I26-F30 WeakPolarHBondContact O-CD2 3.32Å; I26-F30 PolarHBondContact O-N 3.4Å; I26-F30 VanDerWaalsContact O-N 3.09Å
27M92.1Very high91.7Very high69 Ų6972.9 Ų72.934%0.3435%0.35SS..Hα-helixtrans-56.8-44.9175-63.8175.459.900111.7S21 R23 W24 F30 A31 F89S21-M27 WeakPolarHBondContact O-CG 3.34Å; R23-M27 WeakPolarHBondContact O-CG 3.36Å; R23-M27 PolarHBondContact O-N 2.74Å; R23-M27 VanDerWaalsContact O-N 3.09Å; W24-M27 WeakPolarHBondContact O-CB 3.34Å; W24-M27 PolarHBondContact O-N 3.37Å; M27-F30 PolarHBondContact O-N 3.34Å; M27-A31 WeakPolarHBondContact O-CB 3.42Å; M27-A31 PolarHBondContact O-N 3.34Å; M27-F89 HydrophobicContact CB-CD1 4.35Å; M27-F89 HydrophobicContact CB-CE1 4.49Å; M27-F89 HydrophobicContact CE-CB 3.93Å; M27-F89 HydrophobicContact CE-CG 4.43Å; M27-F89 HydrophobicContact CG-CB 4.37Å; M27-F89 HydrophobicContact CG-CD1 3.53Å; M27-F89 HydrophobicContact CG-CE1 3.94Å; M27-F89 HydrophobicContact CG-CG 3.98Å
28L93.8Very high92.4Very high103 Ų10368.7 Ų68.754%0.53934%0.336SS..Hα-helixtrans-62.8-42.3178.3-74.8179.1000112.8W24 Y25 I26 A31 F32W24-L28 HydrophobicContact CE3-CD1 3.5Å; W24-L28 HydrophobicContact CE3-CG 4.33Å; W24-L28 HydrophobicContact CZ3-CD1 3.51Å; W24-L28 WeakPolarHBondContact O-CG 3.42Å; W24-L28 PolarHBondContact O-N 3.15Å; Y25-L28 PolarHBondContact O-N 2.78Å; I26-L28 VanDerWaalsContact C-N 3.32Å; I26-L28 PolarHBondContact O-N 3.18Å; L28-A31 PolarHBondContact O-N 3.34Å; L28-F32 WeakPolarHBondContact O-CB 3.43Å; L28-F32 PolarHBondContact O-N 2.83Å
29V95.9Very high93Very high82 Ų8264.1 Ų64.150%0.49732%0.322SS..Hα-helixtrans-60.9-50.6177.9170.30000110.5Y25 I26 F32 L33Y25-V29 WeakPolarHBondContact O-CG2 3.48Å; Y25-V29 PolarHBondContact O-N 3.02Å; Y25-V29 VanDerWaalsContact O-N 3.1Å; I26-V29 PolarHBondContact O-N 3.13Å; V29-F32 PolarHBondContact O-N 3.06Å; V29-L33 HydrophobicContact CG1-CD1 4.18Å; V29-L33 WeakPolarHBondContact O-CG 3.42Å; V29-L33 PolarHBondContact O-N 2.94Å
30F95.7Very high93.6Very high27 Ų2765.8 Ų65.812%0.11834%0.336CS..Hα-helixtrans-66.4-39.8178.4-82.9-74.8000112.4I26 M27 F32 L33 Y34 F89 I296 A297 C300I26-F30 HydrophobicContact CG2-CD2 3.84Å; I26-F30 HydrophobicContact CG2-CE2 3.94Å; I26-F30 WeakPolarHBondContact O-CD2 3.32Å; I26-F30 PolarHBondContact O-N 3.4Å; I26-F30 VanDerWaalsContact O-N 3.09Å; M27-F30 PolarHBondContact O-N 3.34Å; F30-F32 VanDerWaalsContact C-N 3.28Å; F30-F32 PolarHBondContact O-N 3.08Å; F30-L33 HydrophobicContact CD1-CD1 4.46Å; F30-L33 PolarHBondContact O-N 2.82Å; F30-Y34 HydrophobicContact CB-CD2 4.45Å; F30-Y34 HydrophobicContact CD1-CE2 4.24Å; F30-Y34 VanDerWaalsContact O-CD2 3.26Å; F30-Y34 WeakPolarHBondContact O-CD2 3.38Å; F30-Y34 PolarHBondContact O-N 3.16Å; F30-F89 HydrophobicContact CB-CE2 3.67Å; F30-F89 HydrophobicContact CB-CZ 3.48Å; F30-F89 VanDerWaalsContact CB-CZ 3.48Å; F30-F89 AromaticContact CD2-CZ 3.8Å; F30-F89 HydrophobicContact CD2-CZ 3.8Å; F30-F89 HydrophobicContact CG-CE2 4.4Å; F30-F89 AromaticContact CG-CZ 3.81Å; F30-F89 HydrophobicContact CG-CZ 3.81Å; F30-I296 HydrophobicContact CD1-CG1 4.38Å; F30-I296 HydrophobicContact CD1-CG2 4.31Å; F30-I296 HydrophobicContact CD2-CG2 4.3Å; F30-I296 HydrophobicContact CE1-CG2 4.06Å; F30-I296 HydrophobicContact CE2-CG2 4.03Å; F30-I296 HydrophobicContact CG-CG2 4.43Å; F30-I296 HydrophobicContact CZ-CG2 3.91Å; F30-A297 HydrophobicContact CE1-CB 4.31Å; F30-A297 HydrophobicContact CZ-CB 4.01Å; F30-C300 HydrophobicContact CD1-CB 4.34Å; F30-C300 HydrophobicContact CE1-CB 4.17Å
31A94.7Very high94.1Very high55 Ų5562.3 Ų62.346%0.45532%0.318SS..Hα-helixtrans-57.7-43.4175.700000111.4M27 L28 L35M27-A31 WeakPolarHBondContact O-CB 3.42Å; M27-A31 PolarHBondContact O-N 3.34Å; L28-A31 PolarHBondContact O-N 3.34Å; A31-L35 VanDerWaalsContact O-CB 3.27Å; A31-L35 WeakPolarHBondContact O-CB 3.22Å; A31-L35 PolarHBondContact O-N 3.22Å
32F96.4Very high94.5Very high130 Ų13065 Ų6557%0.5733%0.331SS*.Hα-helixtrans-63.5-44.2175.2-178.6-106.9000112.4L28 V29 F30 L35 I36L28-F32 WeakPolarHBondContact O-CB 3.43Å; L28-F32 PolarHBondContact O-N 2.83Å; V29-F32 PolarHBondContact O-N 3.06Å; F30-F32 VanDerWaalsContact C-N 3.28Å; F30-F32 PolarHBondContact O-N 3.08Å; F32-L35 PolarHBondContact O-N 2.9Å; F32-I36 HydrophobicContact CD1-CD1 3.84Å; F32-I36 HydrophobicContact CE1-CD1 3.34Å; F32-I36 HydrophobicContact CE1-CG1 4.5Å; F32-I36 HydrophobicContact CE2-CD1 4.13Å; F32-I36 HydrophobicContact CG-CD1 4.43Å; F32-I36 HydrophobicContact CZ-CD1 3.52Å; F32-I36 HydrophobicContact CZ-CG1 4.41Å; F32-I36 WeakPolarHBondContact O-CG1 3.37Å; F32-I36 PolarHBondContact O-N 3.48Å
33L97Very high94.9Very high72 Ų7268.7 Ų68.738%0.37735%0.348SS..Hα-helixtrans-62.2-48177-69.5173.4000112.2V29 F30 L35 I36 I37V29-L33 HydrophobicContact CG1-CD1 4.18Å; V29-L33 WeakPolarHBondContact O-CG 3.42Å; V29-L33 PolarHBondContact O-N 2.94Å; F30-L33 HydrophobicContact CD1-CD1 4.46Å; F30-L33 PolarHBondContact O-N 2.82Å; L33-L35 VanDerWaalsContact C-N 3.33Å; L33-L35 PolarHBondContact O-N 3.39Å; L33-I36 PolarHBondContact O-N 3.33Å; L33-I37 WeakPolarHBondContact O-CG1 3.44Å; L33-I37 PolarHBondContact O-N 3Å
34Y97.2Very high95.1Very high6 Ų665 Ų652%0.02434%0.339CS..Hα-helixtrans-62.9-39.6176.8-85.6-76.5000111.9F30 I36 I37 I38 A81 P85 I296 H299 C300 M303F30-Y34 HydrophobicContact CB-CD2 4.45Å; F30-Y34 HydrophobicContact CD1-CE2 4.24Å; F30-Y34 VanDerWaalsContact O-CD2 3.26Å; F30-Y34 WeakPolarHBondContact O-CD2 3.38Å; F30-Y34 PolarHBondContact O-N 3.16Å; Y34-I36 VanDerWaalsContact C-N 3.32Å; Y34-I36 PolarHBondContact O-N 3.47Å; Y34-I37 PolarHBondContact O-N 3.34Å; Y34-I38 WeakPolarHBondContact O-CB 3.49Å; Y34-I38 WeakPolarHBondContact O-CD1 3.48Å; Y34-I38 WeakPolarHBondContact O-CG1 3.37Å; Y34-I38 PolarHBondContact O-N 3.16Å; Y34-A81 HydrophobicContact CD1-CB 4.47Å; Y34-A81 VanDerWaalsContact CD1-O 3.26Å; Y34-A81 WeakPolarHBondContact CD1-O 3.31Å; Y34-P85 HydrophobicContact CD1-CG 3.98Å; Y34-P85 HydrophobicContact CD2-CB 3.8Å; Y34-P85 HydrophobicContact CD2-CG 4.12Å; Y34-P85 HydrophobicContact CE1-CG 4.15Å; Y34-P85 HydrophobicContact CE2-CB 3.81Å; Y34-P85 HydrophobicContact CE2-CG 4.29Å; Y34-P85 HydrophobicContact CG-CB 4.18Å; Y34-P85 HydrophobicContact CG-CG 3.98Å; Y34-I296 HydrophobicContact CE2-CD1 3.79Å; Y34-I296 HydrophobicContact CE2-CG1 3.9Å; Y34-I296 VanDerWaalsContact OH-CD1 3.3Å; Y34-I296 WeakPolarHBondContact OH-CD1 3.5Å; Y34-I296 PolarHBondContact OH-O 2.73Å; Y34-H299 AromaticContact CE1-ND1 3.94Å; Y34-H299 AromaticContact CZ-ND1 3.73Å; Y34-H299 PolarHBondContact OH-ND1 2.86Å; Y34-C300 HydrophobicContact CE2-CB 3.95Å; Y34-C300 WeakPolarHBondContact OH-CA 3.35Å; Y34-C300 WeakPolarHBondContact OH-CB 3.3Å; Y34-C300 PolarHBondContact OH-N 2.99Å; Y34-M303 HydrophobicContact CE1-CB 4.43Å; Y34-M303 HydrophobicContact CE1-CG 3.95Å
35L96.9Very high95.4Very high114 Ų11456.2 Ų56.260%0.59731%0.306SS*.Hα-helixtrans-58.9-45175.9-17965000111.4A31 F32 L33 A39A31-L35 VanDerWaalsContact O-CB 3.27Å; A31-L35 WeakPolarHBondContact O-CB 3.22Å; A31-L35 PolarHBondContact O-N 3.22Å; F32-L35 PolarHBondContact O-N 2.9Å; L33-L35 VanDerWaalsContact C-N 3.33Å; L33-L35 PolarHBondContact O-N 3.39Å; L35-A39 WeakPolarHBondContact O-CB 3.34Å; L35-A39 PolarHBondContact O-N 3.27Å
36I96.9Very high95.6Very high83 Ų8353.8 Ų53.843%0.42630%0.302SS..Hα-helixtrans-62.6-47.2175.8-69.1168.7000110.8F32 L33 Y34 A39 A40F32-I36 HydrophobicContact CD1-CD1 3.84Å; F32-I36 HydrophobicContact CE1-CD1 3.34Å; F32-I36 HydrophobicContact CE1-CG1 4.5Å; F32-I36 HydrophobicContact CE2-CD1 4.13Å; F32-I36 HydrophobicContact CG-CD1 4.43Å; F32-I36 HydrophobicContact CZ-CD1 3.52Å; F32-I36 HydrophobicContact CZ-CG1 4.41Å; F32-I36 WeakPolarHBondContact O-CG1 3.37Å; F32-I36 PolarHBondContact O-N 3.48Å; L33-I36 PolarHBondContact O-N 3.33Å; Y34-I36 VanDerWaalsContact C-N 3.32Å; Y34-I36 PolarHBondContact O-N 3.47Å; I36-A39 PolarHBondContact O-N 2.91Å; I36-A40 WeakPolarHBondContact O-CB 3.49Å; I36-A40 PolarHBondContact O-N 3.21Å
37I96.6Very high95.5Very high15 Ų1553.8 Ų53.88%0.07731%0.305CS..Hα-helixtrans-61.5-47-179.1-69.1166.7000110.8L33 Y34 G41 M303 T304 V307L33-I37 WeakPolarHBondContact O-CG1 3.44Å; L33-I37 PolarHBondContact O-N 3Å; Y34-I37 PolarHBondContact O-N 3.34Å; I37-G41 WeakPolarHBondContact O-CA 3.46Å; I37-G41 PolarHBondContact O-N 3.02Å; I37-M303 HydrophobicContact CG2-CB 3.96Å; I37-T304 HydrophobicContact CD1-CG2 3.87Å; I37-T304 HydrophobicContact CG1-CG2 4.33Å; I37-V307 HydrophobicContact CG2-CG2 4.23Å
38I97.3Very high95.6Very high32 Ų3250.5 Ų50.516%0.16429%0.289CS..Hα-helixtrans-63.2-48179-68.1163.8000110Y34 G41 I42 A81Y34-I38 WeakPolarHBondContact O-CB 3.49Å; Y34-I38 WeakPolarHBondContact O-CD1 3.48Å; Y34-I38 WeakPolarHBondContact O-CG1 3.37Å; Y34-I38 PolarHBondContact O-N 3.16Å; I38-G41 PolarHBondContact O-N 3.37Å; I38-I42 HydrophobicContact CG2-CD1 3.62Å; I38-I42 HydrophobicContact CG2-CG1 4.33Å; I38-I42 WeakPolarHBondContact O-CB 3.25Å; I38-I42 VanDerWaalsContact O-CG1 3.29Å; I38-I42 WeakPolarHBondContact O-CG1 3.36Å; I38-I42 PolarHBondContact O-N 3.36Å; I38-A81 HydrophobicContact CD1-CB 4.37Å; I38-A81 HydrophobicContact CG1-CB 3.84Å
39A96.7Very high95.6Very high43 Ų4347.3 Ų47.336%0.35527%0.272SS..Hα-helixtrans-62-50.4179.900000111.4L35 I36 G41 I43L35-A39 WeakPolarHBondContact O-CB 3.34Å; L35-A39 PolarHBondContact O-N 3.27Å; I36-A39 PolarHBondContact O-N 2.91Å; A39-G41 PolarHBondContact O-N 3.24Å; A39-I43 VanDerWaalsContact O-CB 3.28Å; A39-I43 WeakPolarHBondContact O-CB 3.39Å; A39-I43 WeakPolarHBondContact O-CD1 3.28Å; A39-I43 WeakPolarHBondContact O-CG1 3.45Å; A39-I43 PolarHBondContact O-N 3.28Å
40A95.8Very high95.5Very high37 Ų3747 Ų4731%0.30627%0.268SS..Hα-helixtrans-63.6-40.7178.800000112I36 G44 V307I36-A40 WeakPolarHBondContact O-CB 3.49Å; I36-A40 PolarHBondContact O-N 3.21Å; A40-G44 WeakPolarHBondContact O-CA 3.38Å; A40-G44 PolarHBondContact O-N 3.38Å; A40-V307 HydrophobicContact CB-CG1 4.01Å; A40-V307 HydrophobicContact CB-CG2 3.96Å
41G95.9Very high95.2Very high0 Ų045.9 Ų45.90%026%0.263CS..Hα-helixtrans-64.4-50.2177.700000112.1I37 I38 A39 N45I37-G41 WeakPolarHBondContact O-CA 3.46Å; I37-G41 PolarHBondContact O-N 3.02Å; I38-G41 PolarHBondContact O-N 3.37Å; A39-G41 PolarHBondContact O-N 3.24Å; G41-N45 VanDerWaalsContact O-CB 3.26Å; G41-N45 WeakPolarHBondContact O-CB 3.28Å; G41-N45 PolarHBondContact O-N 2.8Å; G41-N45 PolarHBondContact O-ND2 2.96Å
42I96.6Very high95.1Very high57 Ų5743.3 Ų43.329%0.29224%0.242SC..Hα-helixtrans-64.3-49.6178.7-68.5174.4000110.7I38 S46 C77I38-I42 HydrophobicContact CG2-CD1 3.62Å; I38-I42 HydrophobicContact CG2-CG1 4.33Å; I38-I42 WeakPolarHBondContact O-CB 3.25Å; I38-I42 VanDerWaalsContact O-CG1 3.29Å; I38-I42 WeakPolarHBondContact O-CG1 3.36Å; I38-I42 PolarHBondContact O-N 3.36Å; I42-S46 WeakPolarHBondContact O-CB 3.42Å; I42-S46 PolarHBondContact O-N 2.91Å; I42-S46 PolarHBondContact O-OG 3.46Å; I42-C77 HydrophobicContact CD1-CB 4.33Å; I42-C77 HydrophobicContact CG1-CB 3.79Å
43I94.6Very high94.9Very high108 Ų10840.4 Ų40.455%0.55424%0.235SC*.Hα-helixtrans-62.7-52.4-178.3-66.4167.1000109.9A39 N45 S46 C47A39-I43 VanDerWaalsContact O-CB 3.28Å; A39-I43 WeakPolarHBondContact O-CB 3.39Å; A39-I43 WeakPolarHBondContact O-CD1 3.28Å; A39-I43 WeakPolarHBondContact O-CG1 3.45Å; A39-I43 PolarHBondContact O-N 3.28Å; I43-N45 PolarHBondContact O-N 3.18Å; I43-S46 PolarHBondContact O-N 3.45Å; I43-C47 WeakPolarHBondContact O-CB 3.29Å; I43-C47 PolarHBondContact O-N 3.46Å; I43-C47 PolarHBondContact O-SG 3.01Å
44G93.3Very high94.5Very high16 Ų1645.9 Ų45.917%0.16525%0.25CS..Hα-helixtrans-60.3-49.8-176.600000112.7A40 C47 V48A40-G44 WeakPolarHBondContact O-CA 3.38Å; A40-G44 PolarHBondContact O-N 3.38Å; G44-C47 WeakPolarHBondContact O-CB 3.44Å; G44-C47 PolarHBondContact O-N 2.96Å; G44-V48 WeakPolarHBondContact O-CG2 3.42Å; G44-V48 PolarHBondContact O-N 3.17Å; G44-V48 VanDerWaalsContact O-N 3.08Å
45N95.6Very high93.9Very high0 Ų047.9 Ų47.90%026%0.261CS..Hα-helixtrans-69.6-35.2-179.8-71.1-65.9000112.3G41 I43 C47 V48 I49 D73 I74 T306 P310G41-N45 VanDerWaalsContact O-CB 3.26Å; G41-N45 WeakPolarHBondContact O-CB 3.28Å; G41-N45 PolarHBondContact O-N 2.8Å; G41-N45 PolarHBondContact O-ND2 2.96Å; I43-N45 PolarHBondContact O-N 3.18Å; N45-C47 VanDerWaalsContact C-N 3.34Å; N45-C47 PolarHBondContact O-N 2.8Å; N45-V48 WeakPolarHBondContact O-CB 3.41Å; N45-V48 PolarHBondContact O-N 3.44Å; N45-I49 WeakPolarHBondContact O-CG1 3.05Å; N45-I49 PolarHBondContact O-N 2.85Å; N45-D73 WeakPolarHBondContact ND2-CB 3.5Å; N45-I74 HydrophobicContact CB-CD1 4.11Å; N45-I74 HydrophobicContact CB-CG1 3.74Å; N45-T306 PolarHBondContact ND2-O 3.42Å; N45-P310 HydrophobicContact CB-CG 4.41Å; N45-P310 VanDerWaalsContact OD1-CG 3.28Å; N45-P310 WeakPolarHBondContact OD1-CG 3.02Å
46S95Very high93.4Very high40 Ų4050.9 Ų50.928%0.2827%0.269SS..Hα-helixtrans-62.9-41.8172.9-61.80000111.4I42 I43 V48 I49 L50I42-S46 WeakPolarHBondContact O-CB 3.42Å; I42-S46 PolarHBondContact O-N 2.91Å; I42-S46 PolarHBondContact O-OG 3.46Å; I43-S46 PolarHBondContact O-N 3.45Å; S46-V48 VanDerWaalsContact C-N 3.31Å; S46-V48 PolarHBondContact O-N 3Å; S46-I49 PolarHBondContact O-N 3.24Å; S46-L50 WeakPolarHBondContact O-CB 3.42Å; S46-L50 VanDerWaalsContact O-CG 3.28Å; S46-L50 WeakPolarHBondContact O-CG 3.33Å; S46-L50 PolarHBondContact O-N 3.49Å
47C92.1Very high92.8Very high41 Ų4150.1 Ų50.128%0.27727%0.272SS..Hα-helixtrans-60.6-40.3174.1-70.10000111.8I43 G44 N45 L50 A51 F324I43-C47 WeakPolarHBondContact O-CB 3.29Å; I43-C47 PolarHBondContact O-N 3.46Å; I43-C47 PolarHBondContact O-SG 3.01Å; G44-C47 WeakPolarHBondContact O-CB 3.44Å; G44-C47 PolarHBondContact O-N 2.96Å; N45-C47 VanDerWaalsContact C-N 3.34Å; N45-C47 PolarHBondContact O-N 2.8Å; C47-L50 PolarHBondContact O-N 3.22Å; C47-A51 VanDerWaalsContact O-CB 3.29Å; C47-A51 WeakPolarHBondContact O-CB 3.37Å; C47-A51 PolarHBondContact O-N 3.41Å; C47-F324 HydrophobicContact CB-CD1 3.85Å; C47-F324 HydrophobicContact CB-CE1 3.56Å
48V92.8Very high92.3Very high0 Ų049.6 Ų49.60%027%0.269CS..Hα-helixtrans-60.6-49176.3176.70000110.3G44 N45 S46 L50 A51 I52 I66 S70 P310 Y313 F324G44-V48 WeakPolarHBondContact O-CG2 3.42Å; G44-V48 PolarHBondContact O-N 3.17Å; G44-V48 VanDerWaalsContact O-N 3.08Å; N45-V48 WeakPolarHBondContact O-CB 3.41Å; N45-V48 PolarHBondContact O-N 3.44Å; S46-V48 VanDerWaalsContact C-N 3.31Å; S46-V48 PolarHBondContact O-N 3Å; V48-L50 PolarHBondContact O-N 3.27Å; V48-A51 PolarHBondContact O-N 2.61Å; V48-I52 HydrophobicContact CG1-CD1 3.74Å; V48-I52 WeakPolarHBondContact O-CG1 3.24Å; V48-I52 PolarHBondContact O-N 3.21Å; V48-I52 VanDerWaalsContact O-N 3.1Å; V48-I66 HydrophobicContact CG1-CG2 3.62Å; V48-S70 WeakPolarHBondContact CB-OG 3.45Å; V48-S70 WeakPolarHBondContact CG1-OG 3.28Å; V48-P310 HydrophobicContact CG2-CB 4.2Å; V48-P310 HydrophobicContact CG2-CG 4.35Å; V48-Y313 HydrophobicContact CG1-CD2 4.41Å; V48-Y313 HydrophobicContact CG2-CD2 3.91Å; V48-F324 HydrophobicContact CB-CZ 4.41Å; V48-F324 HydrophobicContact CG2-CE1 4.13Å; V48-F324 HydrophobicContact CG2-CZ 3.6Å
49I94.9Very high92Very high36 Ų3651.8 Ų51.819%0.18528%0.278CS..Hα-helixtrans-59.6-47.8179-66.1166.4000110.1N45 S46 A51 I52 T53 I74N45-I49 WeakPolarHBondContact O-CG1 3.05Å; N45-I49 PolarHBondContact O-N 2.85Å; S46-I49 PolarHBondContact O-N 3.24Å; I49-A51 PolarHBondContact O-N 2.97Å; I49-I52 PolarHBondContact O-N 2.98Å; I49-T53 HydrophobicContact CG2-CG2 4.16Å; I49-T53 WeakPolarHBondContact O-CB 3.29Å; I49-T53 VanDerWaalsContact O-CG2 3.24Å; I49-T53 WeakPolarHBondContact O-CG2 3.08Å; I49-T53 PolarHBondContact O-N 2.92Å; I49-T53 PolarHBondContact O-OG1 3.3Å; I49-I74 HydrophobicContact CD1-CD1 3.54Å
50L92.8Very high91.6Very high76 Ų7652.2 Ų52.240%0.39828%0.277SS..Hα-helixtrans-62.5-42.3179.2-71.9173.4000112.4S46 C47 V48 I52 T53 R54 L327S46-L50 WeakPolarHBondContact O-CB 3.42Å; S46-L50 VanDerWaalsContact O-CG 3.28Å; S46-L50 WeakPolarHBondContact O-CG 3.33Å; S46-L50 PolarHBondContact O-N 3.49Å; C47-L50 PolarHBondContact O-N 3.22Å; V48-L50 PolarHBondContact O-N 3.27Å; L50-I52 PolarHBondContact O-N 3.32Å; L50-T53 WeakPolarHBondContact CA-OG1 3.36Å; L50-T53 PolarHBondContact O-OG1 3.07Å; L50-R54 WeakPolarHBondContact O-CB 3.31Å; L50-R54 WeakPolarHBondContact O-CG 3.38Å; L50-R54 PolarHBondContact O-N 3.22Å; L50-L327 HydrophobicContact CB-CD1 4.15Å
51A90.3Very high91.3Very high3 Ų351.2 Ų51.23%0.02527%0.267CS..Hα-helixtrans-60.5-46.4178.500000111.7C47 V48 I49 N55 L320 A323 L327C47-A51 VanDerWaalsContact O-CB 3.29Å; C47-A51 WeakPolarHBondContact O-CB 3.37Å; C47-A51 PolarHBondContact O-N 3.41Å; V48-A51 PolarHBondContact O-N 2.61Å; I49-A51 PolarHBondContact O-N 2.97Å; A51-N55 WeakPolarHBondContact O-CB 3.33Å; A51-N55 PolarHBondContact O-N 3.35Å; A51-L320 HydrophobicContact CB-CD2 4.26Å; A51-A323 HydrophobicContact CB-CB 3.81Å; A51-L327 HydrophobicContact CB-CD1 4.06Å
52I91.4Very high90.9Very high1 Ų152.3 Ų52.31%0.00527%0.274CS..Hα-helixtrans-72.7-41.1-178.2-63.7168000111.3V48 I49 L50 Q59 N63 I66 L67 L320V48-I52 HydrophobicContact CG1-CD1 3.74Å; V48-I52 WeakPolarHBondContact O-CG1 3.24Å; V48-I52 PolarHBondContact O-N 3.21Å; V48-I52 VanDerWaalsContact O-N 3.1Å; I49-I52 PolarHBondContact O-N 2.98Å; L50-I52 PolarHBondContact O-N 3.32Å; I52-Q59 HydrophobicContact CG2-CG 4.47Å; I52-Q59 VanDerWaalsContact O-CG 3.24Å; I52-Q59 WeakPolarHBondContact O-CG 3.46Å; I52-Q59 PolarHBondContact O-NE2 3.41Å; I52-N63 HydrophobicContact CD1-CB 4.18Å; I52-N63 WeakPolarHBondContact CD1-O 3.2Å; I52-N63 HydrophobicContact CG1-CB 4.43Å; I52-N63 HydrophobicContact CG2-CB 4.4Å; I52-I66 HydrophobicContact CD1-CB 4.43Å; I52-I66 HydrophobicContact CD1-CG2 4Å; I52-L67 HydrophobicContact CB-CD1 4.08Å; I52-L67 HydrophobicContact CD1-CB 4.01Å; I52-L67 HydrophobicContact CG2-CB 4.46Å; I52-L67 HydrophobicContact CG2-CD1 3.75Å; I52-L320 HydrophobicContact CD1-CD2 4.12Å; I52-L320 HydrophobicContact CG1-CD2 3.65Å
53T92.3Very high90.6Very high69 Ų6950 Ų5042%0.42326%0.262SS..Hα-helixtrans-70.5-37.5-17851.90000112.6I49 L50 Q59 L67I49-T53 HydrophobicContact CG2-CG2 4.16Å; I49-T53 WeakPolarHBondContact O-CB 3.29Å; I49-T53 VanDerWaalsContact O-CG2 3.24Å; I49-T53 WeakPolarHBondContact O-CG2 3.08Å; I49-T53 PolarHBondContact O-N 2.92Å; I49-T53 PolarHBondContact O-OG1 3.3Å; L50-T53 WeakPolarHBondContact CA-OG1 3.36Å; L50-T53 PolarHBondContact O-OG1 3.07Å; T53-Q59 PolarHBondContact O-NE2 3.47Å; T53-L67 HydrophobicContact CG2-CD1 3.89Å
54R89.3Confident90.5Very high187 Ų18746.2 Ų46.271%0.70624%0.243SC*.Hα-helixtrans-76.6-31.5178.9-72.5-171.6170.5-176.2-1.7113.8L50L50-R54 WeakPolarHBondContact O-CB 3.31Å; L50-R54 WeakPolarHBondContact O-CG 3.38Å; L50-R54 PolarHBondContact O-N 3.22Å
55N85.7Confident90.4Very high47 Ų4745.6 Ų45.625%0.25124%0.236SC..  trans-103.2103.6-176.3-170.6-19.3000111.6A51 S57 L58 Q59A51-N55 WeakPolarHBondContact O-CB 3.33Å; A51-N55 PolarHBondContact O-N 3.35Å; N55-S57 VanDerWaalsContact CG-OG 3.3Å; N55-S57 PolarHBondContact ND2-OG 3.2Å; N55-S57 PolarHBondContact O-N 3.33Å; N55-S57 VanDerWaalsContact O-N 3.12Å; N55-S57 WeakPolarHBondContact OD1-CB 3.34Å; N55-S57 PolarHBondContact OD1-N 3.32Å; N55-S57 PolarHBondContact OD1-OG 3.31Å; N55-L58 HydrophobicContact CB-CB 4.27Å; N55-L58 HydrophobicContact CB-CD1 3.88Å; N55-L58 HydrophobicContact CB-CG 3.84Å; N55-L58 WeakPolarHBondContact O-CA 3.48Å; N55-L58 WeakPolarHBondContact O-CB 3.21Å; N55-L58 PolarHBondContact O-N 3.29Å; N55-Q59 PolarHBondContact O-N 3.29Å
56K86.2Confident90.3Very high177 Ų17746.1 Ų46.177%0.7724%0.238SC*.G310 helixtrans-54.8-31.5177.5-69-174.3178.5179.90113.4L58 Q59K56-L58 PolarHBondContact O-N 3.29Å; K56-Q59 PolarHBondContact O-N 2.97Å
57S84.8Confident90.2Very high68 Ų6846 Ų4648%0.47623%0.234SC..G310 helixtrans-68.9-21.8177.474.60000113.2N55N55-S57 VanDerWaalsContact CG-OG 3.3Å; N55-S57 PolarHBondContact ND2-OG 3.2Å; N55-S57 PolarHBondContact O-N 3.33Å; N55-S57 VanDerWaalsContact O-N 3.12Å; N55-S57 WeakPolarHBondContact OD1-CB 3.34Å; N55-S57 PolarHBondContact OD1-N 3.32Å; N55-S57 PolarHBondContact OD1-OG 3.31Å
58L85.4Confident90.4Very high3 Ų344.5 Ų44.52%0.01623%0.225CC..G310 helixtrans-89.4-8.6175.9-57.8-175.1000112.7N55 K56 T60 N63 Q319 L320 A323N55-L58 HydrophobicContact CB-CB 4.27Å; N55-L58 HydrophobicContact CB-CD1 3.88Å; N55-L58 HydrophobicContact CB-CG 3.84Å; N55-L58 WeakPolarHBondContact O-CA 3.48Å; N55-L58 WeakPolarHBondContact O-CB 3.21Å; N55-L58 PolarHBondContact O-N 3.29Å; K56-L58 PolarHBondContact O-N 3.29Å; L58-T60 PolarHBondContact O-N 2.87Å; L58-N63 WeakPolarHBondContact O-CB 3.35Å; L58-N63 PolarHBondContact O-ND2 2.87Å; L58-Q319 HydrophobicContact CD2-CB 3.58Å; L58-L320 HydrophobicContact CD1-CD2 4.11Å; L58-A323 HydrophobicContact CD1-CB 3.7Å
59Q89.8Confident90.4Very high78 Ų7844.5 Ų44.536%0.36423%0.225SC..  trans-79.165.8178.3-63.1178.30.800110.1I52 T53 N55 K56 H139I52-Q59 HydrophobicContact CG2-CG 4.47Å; I52-Q59 VanDerWaalsContact O-CG 3.24Å; I52-Q59 WeakPolarHBondContact O-CG 3.46Å; I52-Q59 PolarHBondContact O-NE2 3.41Å; T53-Q59 PolarHBondContact O-NE2 3.47Å; N55-Q59 PolarHBondContact O-N 3.29Å; K56-Q59 PolarHBondContact O-N 2.97Å; Q59-H139 PolarHBondContact O-CE1 3.49Å; Q59-H139 PolarHBondContact O-NE2 3.2Å
60T89.7Confident90.4Very high53 Ų5342.8 Ų42.833%0.32522%0.216SC..SBendtrans-106.3156.2175.6640000109.5L58 N63 L64L58-T60 PolarHBondContact O-N 2.87Å; T60-N63 CarbonylContact O-C 3.58Å; T60-N63 WeakPolarHBondContact O-CA 3.25Å; T60-N63 PolarHBondContact O-N 3.18Å; T60-N63 PolarHBondContact OG1-ND2 3.03Å; T60-L64 PolarHBondContact O-N 3.41Å
61V89.9Confident90.6Very high16 Ų1641.8 Ų41.810%0.09722%0.215CC..Hα-helixtrans-46.1-49176.9159.30000114N63 L64 F65 I137 A142V61-N63 VanDerWaalsContact C-N 3.27Å; V61-N63 PolarHBondContact O-N 3.38Å; V61-L64 WeakPolarHBondContact O-CB 3.37Å; V61-L64 PolarHBondContact O-N 2.95Å; V61-L64 VanDerWaalsContact O-N 3.11Å; V61-F65 HydrophobicContact CG1-CD2 4.44Å; V61-F65 HydrophobicContact CG1-CE2 3.91Å; V61-F65 WeakPolarHBondContact O-CD2 3.49Å; V61-F65 PolarHBondContact O-N 3.33Å; V61-I137 HydrophobicContact CB-CG1 4.42Å; V61-I137 HydrophobicContact CG1-CD1 3.51Å; V61-I137 HydrophobicContact CG1-CG1 3.44Å; V61-I137 VanDerWaalsContact CG1-CG1 3.44Å; V61-I137 HydrophobicContact CG2-CG1 4.29Å; V61-I137 WeakPolarHBondContact CG2-O 3.5Å; V61-A142 HydrophobicContact CB-CB 4.37Å; V61-A142 HydrophobicContact CG1-CB 3.93Å; V61-A142 HydrophobicContact CG2-CB 3.95Å
62P86Confident90.9Very high23 Ų2342.2 Ų42.215%0.14922%0.217CC..Hα-helixtrans-62.9-35.1178.5-24.135.3000113.5L64 F65 I66P62-L64 VanDerWaalsContact C-N 3.33Å; P62-F65 PolarHBondContact O-N 2.9Å; P62-I66 WeakPolarHBondContact O-CG1 3.22Å; P62-I66 PolarHBondContact O-N 3.5Å
63N89.9Confident91.1Very high8 Ų842.4 Ų42.44%0.04322%0.218CC..Hα-helixtrans-76.3-22.2177.7-68.6-10.7000111.6I52 L58 T60 V61 I66 L67I52-N63 HydrophobicContact CD1-CB 4.18Å; I52-N63 WeakPolarHBondContact CD1-O 3.2Å; I52-N63 HydrophobicContact CG1-CB 4.43Å; I52-N63 HydrophobicContact CG2-CB 4.4Å; L58-N63 WeakPolarHBondContact O-CB 3.35Å; L58-N63 PolarHBondContact O-ND2 2.87Å; T60-N63 CarbonylContact O-C 3.58Å; T60-N63 WeakPolarHBondContact O-CA 3.25Å; T60-N63 PolarHBondContact O-N 3.18Å; T60-N63 PolarHBondContact OG1-ND2 3.03Å; V61-N63 VanDerWaalsContact C-N 3.27Å; V61-N63 PolarHBondContact O-N 3.38Å; N63-I66 PolarHBondContact O-N 3.4Å; N63-L67 VanDerWaalsContact O-CB 3.32Å; N63-L67 WeakPolarHBondContact O-CB 3.35Å; N63-L67 PolarHBondContact O-N 3Å
64L92.8Very high91.3Very high29 Ų2940.9 Ų40.915%0.15221%0.207CC..Hα-helixtrans-64.7-41.3169.3-69.3-178.6000112T60 V61 P62 I66 L67 S68 H139 A142 V143 I146T60-L64 PolarHBondContact O-N 3.41Å; V61-L64 WeakPolarHBondContact O-CB 3.37Å; V61-L64 PolarHBondContact O-N 2.95Å; V61-L64 VanDerWaalsContact O-N 3.11Å; P62-L64 VanDerWaalsContact C-N 3.33Å; L64-I66 VanDerWaalsContact C-N 3.33Å; L64-L67 PolarHBondContact O-N 2.98Å; L64-S68 PolarHBondContact O-N 3.25Å; L64-S68 PolarHBondContact O-OG 3.34Å; L64-H139 WeakPolarHBondContact CD1-ND1 3.37Å; L64-A142 HydrophobicContact CD1-CB 4.32Å; L64-V143 HydrophobicContact CD1-CG2 4.41Å; L64-I146 HydrophobicContact CB-CD1 4.45Å
65F92.6Very high91.6Very high3 Ų334.8 Ų34.81%0.01319%0.191CC..Hα-helixtrans-65.7-36.7174-66-64.2000112.2V61 P62 S68 L69 T117 A120 I121 I137 A142 V145 I146V61-F65 HydrophobicContact CG1-CD2 4.44Å; V61-F65 HydrophobicContact CG1-CE2 3.91Å; V61-F65 WeakPolarHBondContact O-CD2 3.49Å; V61-F65 PolarHBondContact O-N 3.33Å; P62-F65 PolarHBondContact O-N 2.9Å; F65-S68 WeakPolarHBondContact CA-OG 3.48Å; F65-S68 PolarHBondContact O-N 2.89Å; F65-S68 PolarHBondContact O-OG 3.28Å; F65-L69 WeakPolarHBondContact O-CB 3.39Å; F65-L69 WeakPolarHBondContact O-CG 3.2Å; F65-L69 PolarHBondContact O-N 2.84Å; F65-T117 HydrophobicContact CB-CG2 3.88Å; F65-T117 HydrophobicContact CD1-CG2 3.94Å; F65-T117 HydrophobicContact CG-CG2 4.32Å; F65-A120 HydrophobicContact CE1-CB 4.42Å; F65-I121 HydrophobicContact CB-CD1 3.74Å; F65-I121 HydrophobicContact CB-CG1 3.62Å; F65-I121 HydrophobicContact CD2-CG1 4.08Å; F65-I121 HydrophobicContact CG-CG1 3.93Å; F65-I137 HydrophobicContact CE2-CD1 4.04Å; F65-I137 HydrophobicContact CZ-CD1 4.12Å; F65-A142 HydrophobicContact CZ-CB 4.32Å; F65-V145 HydrophobicContact CE1-CB 4.41Å; F65-V145 HydrophobicContact CE1-CG1 3.96Å; F65-V145 HydrophobicContact CZ-CG1 4.2Å; F65-I146 HydrophobicContact CD1-CD1 4.02Å; F65-I146 HydrophobicContact CD1-CG1 3.75Å; F65-I146 HydrophobicContact CE1-CD1 4.29Å; F65-I146 HydrophobicContact CE1-CG1 3.8Å
66I92Very high92Very high10 Ų1032.8 Ų32.85%0.05118%0.18CC..Hα-helixtrans-64.6-43173.5-69.2172.8000110.9V48 I52 P62 N63 L64 L69 S70 Y313 L320V48-I66 HydrophobicContact CG1-CG2 3.62Å; I52-I66 HydrophobicContact CD1-CB 4.43Å; I52-I66 HydrophobicContact CD1-CG2 4Å; P62-I66 WeakPolarHBondContact O-CG1 3.22Å; P62-I66 PolarHBondContact O-N 3.5Å; N63-I66 PolarHBondContact O-N 3.4Å; L64-I66 VanDerWaalsContact C-N 3.33Å; I66-L69 PolarHBondContact O-N 3.45Å; I66-S70 PolarHBondContact O-N 2.92Å; I66-S70 PolarHBondContact O-OG 3.08Å; I66-Y313 HydrophobicContact CB-CE1 4.37Å; I66-Y313 HydrophobicContact CD1-CD1 4.06Å; I66-Y313 HydrophobicContact CD1-CE1 3.73Å; I66-Y313 HydrophobicContact CG1-CD1 4.44Å; I66-Y313 HydrophobicContact CG1-CE1 3.67Å; I66-Y313 HydrophobicContact CG2-CD1 4.32Å; I66-Y313 HydrophobicContact CG2-CD2 3.88Å; I66-Y313 HydrophobicContact CG2-CE1 3.91Å; I66-Y313 HydrophobicContact CG2-CE2 3.48Å; I66-Y313 VanDerWaalsContact CG2-CE2 3.48Å; I66-Y313 HydrophobicContact CG2-CG 4.31Å; I66-Y313 VanDerWaalsContact CG2-CZ 3.49Å; I66-L320 HydrophobicContact CD1-CD1 4.38Å; I66-L320 HydrophobicContact CG2-CD1 4.35Å
67L94.3Very high92.5Very high37 Ų3724.4 Ų24.419%0.19414%0.144CC..Hα-helixtrans-62.2-44.7176.3-179.2149000110.8I52 T53 N63 L64 S70 C71I52-L67 HydrophobicContact CB-CD1 4.08Å; I52-L67 HydrophobicContact CD1-CB 4.01Å; I52-L67 HydrophobicContact CG2-CB 4.46Å; I52-L67 HydrophobicContact CG2-CD1 3.75Å; T53-L67 HydrophobicContact CG2-CD1 3.89Å; N63-L67 VanDerWaalsContact O-CB 3.32Å; N63-L67 WeakPolarHBondContact O-CB 3.35Å; N63-L67 PolarHBondContact O-N 3Å; L64-L67 PolarHBondContact O-N 2.98Å; L67-S70 WeakPolarHBondContact O-CB 3.46Å; L67-S70 PolarHBondContact O-N 2.86Å; L67-C71 PolarHBondContact O-N 3.31Å; L67-C71 PolarHBondContact O-SG 2.75Å; L67-C71 VanDerWaalsContact O-SG 3.35Å
68S95.6Very high92.9Very high11 Ų1124.5 Ų24.58%0.07714%0.144CC..Hα-helixtrans-65.9-38.9178.869.20000112.5L64 F65 S70 C71 S72L64-S68 PolarHBondContact O-N 3.25Å; L64-S68 PolarHBondContact O-OG 3.34Å; F65-S68 WeakPolarHBondContact CA-OG 3.48Å; F65-S68 PolarHBondContact O-N 2.89Å; F65-S68 PolarHBondContact O-OG 3.28Å; S68-S70 VanDerWaalsContact C-N 3.33Å; S68-C71 PolarHBondContact O-N 3.38Å; S68-S72 PolarHBondContact O-N 3.36Å; S68-S72 VanDerWaalsContact O-N 3.07Å
69L93.6Very high93.3Very high0 Ų025.5 Ų25.50%015%0.15CC..Hα-helixtrans-58.2-45.9170.4-82.3164.7000111.4F65 I66 C71 S72 D73 T117 L118 I121F65-L69 WeakPolarHBondContact O-CB 3.39Å; F65-L69 WeakPolarHBondContact O-CG 3.2Å; F65-L69 PolarHBondContact O-N 2.84Å; I66-L69 PolarHBondContact O-N 3.45Å; L69-C71 VanDerWaalsContact C-N 3.32Å; L69-C71 PolarHBondContact O-N 3.1Å; L69-S72 WeakPolarHBondContact O-CB 3.43Å; L69-S72 PolarHBondContact O-N 3.29Å; L69-S72 VanDerWaalsContact O-N 3.12Å; L69-D73 PolarHBondContact O-N 3.48Å; L69-T117 HydrophobicContact CD1-CG2 3.93Å; L69-T117 HydrophobicContact CD2-CG2 4.28Å; L69-T117 HydrophobicContact CG-CG2 3.74Å; L69-L118 HydrophobicContact CD1-CD2 4.11Å; L69-I121 HydrophobicContact CD1-CD1 3.89Å
70S95.3Very high93.5Very high0 Ų022.5 Ų22.50%014%0.138CC..Hα-helixtrans-62.9-38.6-179.6-53.20000111.9V48 I66 L67 S68 D73 I74V48-S70 WeakPolarHBondContact CB-OG 3.45Å; V48-S70 WeakPolarHBondContact CG1-OG 3.28Å; I66-S70 PolarHBondContact O-N 2.92Å; I66-S70 PolarHBondContact O-OG 3.08Å; L67-S70 WeakPolarHBondContact O-CB 3.46Å; L67-S70 PolarHBondContact O-N 2.86Å; S68-S70 VanDerWaalsContact C-N 3.33Å; S70-D73 PolarHBondContact O-N 3.29Å; S70-I74 WeakPolarHBondContact O-CG1 3.4Å; S70-I74 PolarHBondContact O-N 2.88Å; S70-I74 VanDerWaalsContact O-N 3.15Å
71C96Very high93.7Very high55 Ų5520 Ų2037%0.37212%0.122SC..Hα-helixtrans-62.9-44.9173.1-65.90000111.8L67 S68 L69 I74 V75L67-C71 PolarHBondContact O-N 3.31Å; L67-C71 PolarHBondContact O-SG 2.75Å; L67-C71 VanDerWaalsContact O-SG 3.35Å; S68-C71 PolarHBondContact O-N 3.38Å; L69-C71 VanDerWaalsContact C-N 3.32Å; L69-C71 PolarHBondContact O-N 3.1Å; C71-I74 PolarHBondContact O-N 3.48Å; C71-V75 WeakPolarHBondContact O-CG2 3.41Å; C71-V75 PolarHBondContact O-N 3.1Å; C71-V75 VanDerWaalsContact O-N 3.16Å
72S96Very high94Very high12 Ų1221.6 Ų21.68%0.08413%0.132CC..Hα-helixtrans-61.2-43.1177-176.20000111.8S68 L69 I74 V75 V76 S110 S114S68-S72 PolarHBondContact O-N 3.36Å; S68-S72 VanDerWaalsContact O-N 3.07Å; L69-S72 WeakPolarHBondContact O-CB 3.43Å; L69-S72 PolarHBondContact O-N 3.29Å; L69-S72 VanDerWaalsContact O-N 3.12Å; S72-I74 VanDerWaalsContact C-N 3.34Å; S72-I74 PolarHBondContact O-N 3.22Å; S72-V75 WeakPolarHBondContact O-CB 3.05Å; S72-V75 PolarHBondContact O-N 2.92Å; S72-V75 VanDerWaalsContact O-N 3.13Å; S72-V76 WeakPolarHBondContact O-CG2 3.16Å; S72-V76 PolarHBondContact O-N 3.4Å; S72-S110 PolarHBondContact OG-O 3.42Å; S72-S114 PolarHBondContact OG-OG 3.2Å
73D95.4Very high94.4Very high4 Ų421.2 Ų21.22%0.02113%0.129CC..Hα-helixtrans-64.7-35.6179.1-74.9-27.5000112.6N45 L69 S70 V76 C77 T306 N309N45-D73 WeakPolarHBondContact ND2-CB 3.5Å; L69-D73 PolarHBondContact O-N 3.48Å; S70-D73 PolarHBondContact O-N 3.29Å; D73-V76 PolarHBondContact O-N 2.88Å; D73-C77 PolarHBondContact O-N 3.33Å; D73-C77 PolarHBondContact O-SG 3.22Å; D73-T306 HydrophobicContact CB-CG2 4.16Å; D73-N309 PolarHBondContact OD2-ND2 3.19Å
74I96.5Very high94.6Very high37 Ų3723 Ų2319%0.1914%0.14CC..Hα-helixtrans-63.1-43.6171.8-68.9172.4000110.5N45 I49 S70 C71 S72 V76 C77 C78N45-I74 HydrophobicContact CB-CD1 4.11Å; N45-I74 HydrophobicContact CB-CG1 3.74Å; I49-I74 HydrophobicContact CD1-CD1 3.54Å; S70-I74 WeakPolarHBondContact O-CG1 3.4Å; S70-I74 PolarHBondContact O-N 2.88Å; S70-I74 VanDerWaalsContact O-N 3.15Å; C71-I74 PolarHBondContact O-N 3.48Å; S72-I74 VanDerWaalsContact C-N 3.34Å; S72-I74 PolarHBondContact O-N 3.22Å; I74-V76 VanDerWaalsContact C-N 3.3Å; I74-V76 PolarHBondContact O-N 3.49Å; I74-C77 WeakPolarHBondContact O-CB 3.28Å; I74-C77 PolarHBondContact O-N 3.49Å; I74-C78 PolarHBondContact O-N 3.47Å; I74-C78 PolarHBondContact O-SG 3Å; I74-C78 VanDerWaalsContact O-SG 3.36Å
75V95.7Very high94.6Very high59 Ų5922.2 Ų22.236%0.35814%0.137SC..Hα-helixtrans-59.2-43.6175.8172.90000110.5C71 S72 C77 C78 T79 I106C71-V75 WeakPolarHBondContact O-CG2 3.41Å; C71-V75 PolarHBondContact O-N 3.1Å; C71-V75 VanDerWaalsContact O-N 3.16Å; S72-V75 WeakPolarHBondContact O-CB 3.05Å; S72-V75 PolarHBondContact O-N 2.92Å; S72-V75 VanDerWaalsContact O-N 3.13Å; V75-C77 PolarHBondContact O-N 2.82Å; V75-C78 PolarHBondContact O-N 2.73Å; V75-T79 HydrophobicContact CG1-CG2 4.44Å; V75-T79 WeakPolarHBondContact O-CB 3.05Å; V75-T79 WeakPolarHBondContact O-CG2 3.21Å; V75-T79 PolarHBondContact O-N 3.02Å; V75-T79 PolarHBondContact O-OG1 3.41Å; V75-I106 HydrophobicContact CG1-CG2 3.3Å
76V95.1Very high94.7Very high6 Ų625.3 Ų25.34%0.03615%0.152CC..Hα-helixtrans-60.8-43175.3173.90000111.7S72 D73 I74 T79 S80 A81 M303 T306S72-V76 WeakPolarHBondContact O-CG2 3.16Å; S72-V76 PolarHBondContact O-N 3.4Å; D73-V76 PolarHBondContact O-N 2.88Å; I74-V76 VanDerWaalsContact C-N 3.3Å; I74-V76 PolarHBondContact O-N 3.49Å; V76-T79 PolarHBondContact O-N 3.27Å; V76-S80 PolarHBondContact O-N 3.21Å; V76-A81 PolarHBondContact O-N 3.12Å; V76-M303 HydrophobicContact CG1-CE 4.22Å; V76-M303 HydrophobicContact CG1-SD 3.63Å; V76-T306 HydrophobicContact CB-CG2 4.11Å; V76-T306 HydrophobicContact CG1-CG2 3.8Å
77C96.4Very high94.7Very high0 Ų026.2 Ų26.20%016%0.159CC..Hα-helixtrans-61.5-46.4177.9-67.20000111.7I42 D73 I74 V75 T79 T82I42-C77 HydrophobicContact CD1-CB 4.33Å; I42-C77 HydrophobicContact CG1-CB 3.79Å; D73-C77 PolarHBondContact O-N 3.33Å; D73-C77 PolarHBondContact O-SG 3.22Å; I74-C77 WeakPolarHBondContact O-CB 3.28Å; I74-C77 PolarHBondContact O-N 3.49Å; V75-C77 PolarHBondContact O-N 2.82Å; C77-T79 VanDerWaalsContact C-N 3.33Å; C77-T79 PolarHBondContact O-N 3.34Å; C77-T82 PolarHBondContact O-OG1 2.89Å
78C93.9Very high94.5Very high71 Ų7125.2 Ų25.248%0.4816%0.156SC..Hα-helixtrans-72.8-24.2-179-64.70000113.6I74 V75I74-C78 PolarHBondContact O-N 3.47Å; I74-C78 PolarHBondContact O-SG 3Å; I74-C78 VanDerWaalsContact O-SG 3.36Å; V75-C78 PolarHBondContact O-N 2.73Å
79T92.8Very high94.3Very high23 Ų2325.6 Ų25.614%0.14116%0.156CC..THydrogen-bonded Turntrans-107.2-87.1-17759.30000111.2V75 V76 C77 A81 T82 I83 I106V75-T79 HydrophobicContact CG1-CG2 4.44Å; V75-T79 WeakPolarHBondContact O-CB 3.05Å; V75-T79 WeakPolarHBondContact O-CG2 3.21Å; V75-T79 PolarHBondContact O-N 3.02Å; V75-T79 PolarHBondContact O-OG1 3.41Å; V76-T79 PolarHBondContact O-N 3.27Å; C77-T79 VanDerWaalsContact C-N 3.33Å; C77-T79 PolarHBondContact O-N 3.34Å; T79-A81 PolarHBondContact O-N 2.75Å; T79-T82 PolarHBondContact O-N 3.27Å; T79-T82 VanDerWaalsContact O-N 3.1Å; T79-I83 WeakPolarHBondContact O-CB 3.29Å; T79-I83 WeakPolarHBondContact O-CG1 3.37Å; T79-I83 PolarHBondContact O-N 3.46Å; T79-I106 HydrophobicContact CG2-CG2 4.19Å
80S94Very high94.1Very high15 Ų1531 Ų3111%0.10518%0.179CC..Hα-helixtrans-56.1-47.1-174.1-159.20000113V76 T82 T84 H299V76-S80 PolarHBondContact O-N 3.21Å; S80-T82 PolarHBondContact O-N 2.95Å; S80-T84 WeakPolarHBondContact O-CB 3.28Å; S80-T84 PolarHBondContact O-N 3.46Å; S80-T84 PolarHBondContact O-OG1 2.91Å; S80-T84 VanDerWaalsContact O-OG1 3.09Å; S80-H299 PolarHBondContact O-CE1 3.04Å; S80-H299 PolarHBondContact OG-NE2 3.35Å; S80-H299 VanDerWaalsContact OG-NE2 3.12Å
81A94.8Very high93.8Very high0 Ų031.4 Ų31.40%018%0.181CC..Hα-helixtrans-69.8-20.4-177.300000112.9Y34 I38 V76 T79 P85 M303Y34-A81 HydrophobicContact CD1-CB 4.47Å; Y34-A81 VanDerWaalsContact CD1-O 3.26Å; Y34-A81 WeakPolarHBondContact CD1-O 3.31Å; I38-A81 HydrophobicContact CD1-CB 4.37Å; I38-A81 HydrophobicContact CG1-CB 3.84Å; V76-A81 PolarHBondContact O-N 3.12Å; T79-A81 PolarHBondContact O-N 2.75Å; A81-P85 WeakPolarHBondContact O-CD 3.49Å; A81-P85 WeakPolarHBondContact O-CG 3.49Å; A81-M303 HydrophobicContact CB-CB 4.49Å; A81-M303 HydrophobicContact CB-CG 4.01Å; A81-M303 HydrophobicContact CB-SD 3.87Å
82T94.4Very high93.6Very high50 Ų5031.5 Ų31.531%0.30718%0.176SC..Hα-helixtrans-97.6-50-179.7-58.80000111.9C77 T79 S80 P85 I86C77-T82 PolarHBondContact O-OG1 2.89Å; T79-T82 PolarHBondContact O-N 3.27Å; T79-T82 VanDerWaalsContact O-N 3.1Å; S80-T82 PolarHBondContact O-N 2.95Å; T82-P85 WeakPolarHBondContact O-CD 3.46Å; T82-P85 WeakPolarHBondContact O-CG 3.17Å; T82-I86 HydrophobicContact CG2-CD1 4.27Å; T82-I86 VanDerWaalsContact O-CD1 3.31Å; T82-I86 WeakPolarHBondContact O-CD1 3.44Å; T82-I86 VanDerWaalsContact O-CG1 3.32Å; T82-I86 WeakPolarHBondContact O-CG1 3.47Å
83I95Very high93.4Very high15 Ų1532.2 Ų32.28%0.07718%0.177CC..Hα-helixtrans-72.3-49.1-173.3-64.6173.3000110.8T79 I86 T87 W93 F95 A103T79-I83 WeakPolarHBondContact O-CB 3.29Å; T79-I83 WeakPolarHBondContact O-CG1 3.37Å; T79-I83 PolarHBondContact O-N 3.46Å; I83-I86 PolarHBondContact O-N 2.94Å; I83-I86 VanDerWaalsContact O-N 3.15Å; I83-T87 HydrophobicContact CG2-CG2 4.11Å; I83-T87 WeakPolarHBondContact O-CG2 3.26Å; I83-T87 PolarHBondContact O-N 2.71Å; I83-T87 PolarHBondContact O-OG1 2.89Å; I83-W93 HydrophobicContact CG2-CH2 3.74Å; I83-W93 HydrophobicContact CG2-CZ3 4.04Å; I83-F95 HydrophobicContact CB-CE2 4.49Å; I83-F95 HydrophobicContact CG1-CZ 4.45Å; I83-F95 HydrophobicContact CG2-CD2 3.91Å; I83-F95 HydrophobicContact CG2-CE2 3.81Å; I83-F95 HydrophobicContact CG2-CZ 4.38Å; I83-A103 HydrophobicContact CD1-CB 3.84Å
84T93.7Very high93.4Very high46 Ų4636.5 Ų36.528%0.28220%0.199SC..Hα-helixtrans-58.2-47.2-174.5-56.60000114.1S80 I86 T87 A88 H299S80-T84 WeakPolarHBondContact O-CB 3.28Å; S80-T84 PolarHBondContact O-N 3.46Å; S80-T84 PolarHBondContact O-OG1 2.91Å; S80-T84 VanDerWaalsContact O-OG1 3.09Å; T84-I86 VanDerWaalsContact C-N 3.34Å; T84-I86 PolarHBondContact O-N 3.06Å; T84-T87 WeakPolarHBondContact CA-OG1 3.45Å; T84-T87 PolarHBondContact O-N 2.88Å; T84-T87 PolarHBondContact O-OG1 3.3Å; T84-A88 VanDerWaalsContact O-CB 3.24Å; T84-A88 WeakPolarHBondContact O-CB 3.12Å; T84-A88 PolarHBondContact O-N 3.43Å; T84-H299 VanDerWaalsContact CB-CE1 3.47Å; T84-H299 WeakPolarHBondContact CB-CE1 3.42Å
85P94.2Very high93.2Very high13 Ų1337.4 Ų37.48%0.08420%0.202CC..Hα-helixtrans-63.9-37.9176.122.6-32.2000112.8Y34 A81 T82 T87 A88 F89 I296Y34-P85 HydrophobicContact CD1-CG 3.98Å; Y34-P85 HydrophobicContact CD2-CB 3.8Å; Y34-P85 HydrophobicContact CD2-CG 4.12Å; Y34-P85 HydrophobicContact CE1-CG 4.15Å; Y34-P85 HydrophobicContact CE2-CB 3.81Å; Y34-P85 HydrophobicContact CE2-CG 4.29Å; Y34-P85 HydrophobicContact CG-CB 4.18Å; Y34-P85 HydrophobicContact CG-CG 3.98Å; A81-P85 WeakPolarHBondContact O-CD 3.49Å; A81-P85 WeakPolarHBondContact O-CG 3.49Å; T82-P85 WeakPolarHBondContact O-CD 3.46Å; T82-P85 WeakPolarHBondContact O-CG 3.17Å; P85-T87 PolarHBondContact O-N 3.49Å; P85-A88 PolarHBondContact O-N 3.5Å; P85-F89 HydrophobicContact CB-CE2 4.5Å; P85-F89 WeakPolarHBondContact O-CD2 3.32Å; P85-F89 PolarHBondContact O-N 3.15Å; P85-F89 VanDerWaalsContact O-N 3.07Å; P85-I296 HydrophobicContact CB-CD1 4.02Å
86I93.9Very high93.1Very high67 Ų6736 Ų3634%0.34420%0.199SC..Hα-helixtrans-60.3-49.8176.5-65.3169.2000109.4T82 I83 T84 A88 F89 K90 I94 F95T82-I86 HydrophobicContact CG2-CD1 4.27Å; T82-I86 VanDerWaalsContact O-CD1 3.31Å; T82-I86 WeakPolarHBondContact O-CD1 3.44Å; T82-I86 VanDerWaalsContact O-CG1 3.32Å; T82-I86 WeakPolarHBondContact O-CG1 3.47Å; I83-I86 PolarHBondContact O-N 2.94Å; I83-I86 VanDerWaalsContact O-N 3.15Å; T84-I86 VanDerWaalsContact C-N 3.34Å; T84-I86 PolarHBondContact O-N 3.06Å; I86-A88 VanDerWaalsContact C-N 3.35Å; I86-A88 PolarHBondContact O-N 2.9Å; I86-F89 PolarHBondContact O-N 3.5Å; I86-K90 HydrophobicContact CG2-CG 4.28Å; I86-K90 WeakPolarHBondContact O-CB 3.47Å; I86-K90 WeakPolarHBondContact O-CG 3.24Å; I86-K90 PolarHBondContact O-N 3.23Å; I86-I94 HydrophobicContact CG2-CD1 4.13Å; I86-F95 HydrophobicContact CB-CE2 4.25Å; I86-F95 HydrophobicContact CB-CZ 4.01Å; I86-F95 HydrophobicContact CD1-CZ 3.9Å; I86-F95 HydrophobicContact CG2-CE2 3.94Å; I86-F95 HydrophobicContact CG2-CZ 3.74Å
87T92.1Very high93.1Very high30 Ų3040.3 Ų40.318%0.18422%0.219CC..Hα-helixtrans-66-35.2179.155.30000113.1I83 T84 P85 K91 W93 F95I83-T87 HydrophobicContact CG2-CG2 4.11Å; I83-T87 WeakPolarHBondContact O-CG2 3.26Å; I83-T87 PolarHBondContact O-N 2.71Å; I83-T87 PolarHBondContact O-OG1 2.89Å; T84-T87 WeakPolarHBondContact CA-OG1 3.45Å; T84-T87 PolarHBondContact O-N 2.88Å; T84-T87 PolarHBondContact O-OG1 3.3Å; P85-T87 PolarHBondContact O-N 3.49Å; T87-K91 VanDerWaalsContact O-CA 3.31Å; T87-K91 WeakPolarHBondContact O-CA 3.35Å; T87-K91 PolarHBondContact O-N 3.31Å; T87-W93 HydrophobicContact CG2-CD2 4.44Å; T87-W93 HydrophobicContact CG2-CE3 3.53Å; T87-W93 HydrophobicContact CG2-CZ3 3.63Å; T87-F95 HydrophobicContact CG2-CD2 4.04Å; T87-F95 HydrophobicContact CG2-CE2 3.78Å
88A90.6Very high93Very high16 Ų1643.5 Ų43.513%0.13225%0.245CC..Hα-helixtrans-68-38.9-179.200000112.1T84 P85 I86 K91 I296T84-A88 VanDerWaalsContact O-CB 3.24Å; T84-A88 WeakPolarHBondContact O-CB 3.12Å; T84-A88 PolarHBondContact O-N 3.43Å; P85-A88 PolarHBondContact O-N 3.5Å; I86-A88 VanDerWaalsContact C-N 3.35Å; I86-A88 PolarHBondContact O-N 2.9Å; A88-K91 WeakPolarHBondContact O-CG 3.35Å; A88-I296 HydrophobicContact CB-CD1 3.9Å; A88-I296 HydrophobicContact CB-CG1 4.42Å
89F91.3Very high93Very high18 Ų1843.4 Ų43.48%0.07924%0.239CC..Hα-helixtrans-85.9-37.5178.7-69.3-59.1000113.3N10 S21 M27 F30 P85 I86 K91 I296N10-F89 PolarHBondContact ND2-O 2.94Å; S21-F89 WeakPolarHBondContact O-CD1 3.4Å; M27-F89 HydrophobicContact CB-CD1 4.35Å; M27-F89 HydrophobicContact CB-CE1 4.49Å; M27-F89 HydrophobicContact CE-CB 3.93Å; M27-F89 HydrophobicContact CE-CG 4.43Å; M27-F89 HydrophobicContact CG-CB 4.37Å; M27-F89 HydrophobicContact CG-CD1 3.53Å; M27-F89 HydrophobicContact CG-CE1 3.94Å; M27-F89 HydrophobicContact CG-CG 3.98Å; F30-F89 HydrophobicContact CB-CE2 3.67Å; F30-F89 HydrophobicContact CB-CZ 3.48Å; F30-F89 VanDerWaalsContact CB-CZ 3.48Å; F30-F89 AromaticContact CD2-CZ 3.8Å; F30-F89 HydrophobicContact CD2-CZ 3.8Å; F30-F89 HydrophobicContact CG-CE2 4.4Å; F30-F89 AromaticContact CG-CZ 3.81Å; F30-F89 HydrophobicContact CG-CZ 3.81Å; P85-F89 HydrophobicContact CB-CE2 4.5Å; P85-F89 WeakPolarHBondContact O-CD2 3.32Å; P85-F89 PolarHBondContact O-N 3.15Å; P85-F89 VanDerWaalsContact O-N 3.07Å; I86-F89 PolarHBondContact O-N 3.5Å; F89-K91 VanDerWaalsContact C-N 3.27Å; F89-K91 PolarHBondContact O-N 3.36Å; F89-I296 HydrophobicContact CE2-CG1 4.29Å; F89-I296 HydrophobicContact CZ-CG1 4.26Å; F89-I296 HydrophobicContact CZ-CG2 4.27Å
90K89.7Confident93.1Very high113 Ų11342.3 Ų42.349%0.49123%0.233SC..Hα-helixtrans-67.3-31.8174.4-80.5-71.3-166.4161.90112N10 I86 E92N10-K90 PolarHBondContact ND2-O 3.28Å; I86-K90 HydrophobicContact CG2-CG 4.28Å; I86-K90 WeakPolarHBondContact O-CB 3.47Å; I86-K90 WeakPolarHBondContact O-CG 3.24Å; I86-K90 PolarHBondContact O-N 3.23Å; K90-E92 HydrophobicContact CB-CG 3.78Å; K90-E92 HydrophobicContact CD-CG 4.5Å; K90-E92 IonicContact NZ-OE1 2.86Å; K90-E92 PolarHBondContact O-N 3.44Å; K90-E92 VanDerWaalsContact O-N 3.16Å
91K89.1Confident93.1Very high9 Ų946 Ų464%0.03924%0.244CC..  trans57.818.8-174.3-49.1-172.6-171.41770113L9 N10 L13 D19 S21 S22 T87 A88 F89 Y176 Y292L9-K91 HydrophobicContact CD2-CB 3.98Å; L9-K91 HydrophobicContact CG-CB 4.39Å; N10-K91 WeakPolarHBondContact OD1-CD 3.49Å; N10-K91 WeakPolarHBondContact OD1-CE 3.24Å; N10-K91 PolarHBondContact OD1-NZ 2.9Å; L13-K91 HydrophobicContact CD1-CD 3.34Å; L13-K91 VanDerWaalsContact CD1-NZ 3.32Å; D19-K91 IonicContact OD2-NZ 3.28Å; D19-K91 PolarHBondContact OD2-NZ 3.03Å; S21-K91 WeakPolarHBondContact OG-CE 3.39Å; S21-K91 PolarHBondContact OG-NZ 3.26Å; S22-K91 PolarHBondContact OG-NZ 3.25Å; T87-K91 VanDerWaalsContact O-CA 3.31Å; T87-K91 WeakPolarHBondContact O-CA 3.35Å; T87-K91 PolarHBondContact O-N 3.31Å; A88-K91 WeakPolarHBondContact O-CG 3.35Å; F89-K91 VanDerWaalsContact C-N 3.27Å; F89-K91 PolarHBondContact O-N 3.36Å; K91-Y176 WeakPolarHBondContact O-CE1 3.37Å; K91-Y292 HydrophobicContact CD-CE1 4.39Å; K91-Y292 HydrophobicContact CD-CE2 4.39Å; K91-Y292 HydrophobicContact CG-CE1 4.18Å
92E90.2Very high93.1Very high58 Ų5849.3 Ų49.327%0.27126%0.261SS..SBendtrans-135.8155.1174.655.7175.5-171.100108.3K90 I94K90-E92 HydrophobicContact CB-CG 3.78Å; K90-E92 HydrophobicContact CD-CG 4.5Å; K90-E92 IonicContact NZ-OE1 2.86Å; K90-E92 PolarHBondContact O-N 3.44Å; K90-E92 VanDerWaalsContact O-N 3.16Å; E92-I94 HydrophobicContact CG-CG2 3.97Å
93W93.6Very high93.1Very high26 Ų2647.4 Ų47.410%0.09825%0.25CS..  trans-99.8109.5177.2-174.3-88.2000110.8I83 T87 F95 G96 L99 C100 A103 L166 Q175 C177I83-W93 HydrophobicContact CG2-CH2 3.74Å; I83-W93 HydrophobicContact CG2-CZ3 4.04Å; T87-W93 HydrophobicContact CG2-CD2 4.44Å; T87-W93 HydrophobicContact CG2-CE3 3.53Å; T87-W93 HydrophobicContact CG2-CZ3 3.63Å; W93-F95 HydrophobicContact CD2-CD2 4.49Å; W93-F95 HydrophobicContact CH2-CD2 4.35Å; W93-F95 HydrophobicContact CZ2-CB 3.65Å; W93-F95 HydrophobicContact CZ2-CD2 4.13Å; W93-F95 HydrophobicContact CZ2-CG 4.31Å; W93-G96 PolarHBondContact NE1-O 3.07Å; W93-L99 HydrophobicContact CZ2-CB 3.92Å; W93-L99 WeakPolarHBondContact CZ2-O 3.34Å; W93-C100 HydrophobicContact CD2-CB 4.33Å; W93-C100 HydrophobicContact CZ2-CB 4Å; W93-A103 HydrophobicContact CH2-CB 4.2Å; W93-L166 HydrophobicContact CB-CD1 4.12Å; W93-L166 VanDerWaalsContact CD1-CD1 3.44Å; W93-L166 HydrophobicContact CG-CD1 3.95Å; W93-Q175 WeakPolarHBondContact CB-O 3.15Å; W93-Q175 PolarHBondContact N-O 3.3Å; W93-C177 HydrophobicContact CB-CB 3.9Å; W93-C177 HydrophobicContact CD2-CB 3.43Å; W93-C177 VanDerWaalsContact CD2-CB 3.43Å; W93-C177 HydrophobicContact CE3-CB 3.44Å; W93-C177 VanDerWaalsContact CE3-CB 3.44Å; W93-C177 HydrophobicContact CG-CB 3.61Å; W93-C177 HydrophobicContact CZ3-CB 4.2Å
94I94.1Very high93Very high94 Ų9448.4 Ų48.448%0.48226%0.258SS..  trans-105.60.2-175.564.4171.7000114.2I86 E92I86-I94 HydrophobicContact CG2-CD1 4.13Å; E92-I94 HydrophobicContact CG-CG2 3.97Å
95F93.6Very high93Very high57 Ų5747.9 Ų47.925%0.2525%0.252CS..SBendtrans-95.25-170.5-60.8-79.2000113.7I83 I86 T87 W93 L99I83-F95 HydrophobicContact CB-CE2 4.49Å; I83-F95 HydrophobicContact CG1-CZ 4.45Å; I83-F95 HydrophobicContact CG2-CD2 3.91Å; I83-F95 HydrophobicContact CG2-CE2 3.81Å; I83-F95 HydrophobicContact CG2-CZ 4.38Å; I86-F95 HydrophobicContact CB-CE2 4.25Å; I86-F95 HydrophobicContact CB-CZ 4.01Å; I86-F95 HydrophobicContact CD1-CZ 3.9Å; I86-F95 HydrophobicContact CG2-CE2 3.94Å; I86-F95 HydrophobicContact CG2-CZ 3.74Å; T87-F95 HydrophobicContact CG2-CD2 4.04Å; T87-F95 HydrophobicContact CG2-CE2 3.78Å; W93-F95 HydrophobicContact CD2-CD2 4.49Å; W93-F95 HydrophobicContact CH2-CD2 4.35Å; W93-F95 HydrophobicContact CZ2-CB 3.65Å; W93-F95 HydrophobicContact CZ2-CD2 4.13Å; W93-F95 HydrophobicContact CZ2-CG 4.31Å; F95-L99 HydrophobicContact CB-CB 3.83Å; F95-L99 HydrophobicContact CB-CD1 3.78Å; F95-L99 HydrophobicContact CB-CG 4.45Å; F95-L99 HydrophobicContact CD1-CD1 4.32Å; F95-L99 HydrophobicContact CG-CD1 4.44Å
96G93.6Very high93.1Very high29 Ų2949.6 Ų49.630%0.29926%0.26SS..Hα-helixtrans74.8171.9-179.100000114.7W93 A98 C100W93-G96 PolarHBondContact NE1-O 3.07Å; G96-A98 PolarHBondContact O-N 3.28Å; G96-C100 PolarHBondContact O-N 3.18Å; G96-C100 VanDerWaalsContact O-N 3.1Å
97E93.8Very high93Very high97 Ų9747.5 Ų47.545%0.45325%0.253SS..Hα-helixtrans-65.2-37.5-171.3-171.9-179.4172.500113.3C100 R101 L166E97-C100 VanDerWaalsContact O-CB 3.32Å; E97-C100 WeakPolarHBondContact O-CB 3.22Å; E97-C100 PolarHBondContact O-N 3.37Å; E97-R101 PolarHBondContact O-N 3.23Å; E97-R101 IonicContact OE1-CZ 3.98Å; E97-R101 VanDerWaalsContact OE1-CZ 3.25Å; E97-R101 IonicContact OE1-NH1 3.29Å; E97-R101 IonicContact OE1-NH2 2.81Å; E97-R101 PolarHBondContact OE1-NH2 3.42Å; E97-L166 HydrophobicContact CB-CB 4.37Å; E97-L166 HydrophobicContact CB-CD2 3.94Å; E97-L166 HydrophobicContact CG-CB 4.2Å
98A94.3Very high93Very high66 Ų6646.8 Ų46.855%0.54525%0.251SS..Hα-helixtrans-61.2-51.5-179.200000111.5G96 C100 R101 I102G96-A98 PolarHBondContact O-N 3.28Å; A98-C100 VanDerWaalsContact C-N 3.27Å; A98-C100 PolarHBondContact O-N 2.97Å; A98-R101 PolarHBondContact O-N 2.85Å; A98-I102 HydrophobicContact CB-CD1 4.44Å; A98-I102 WeakPolarHBondContact O-CB 3.31Å; A98-I102 VanDerWaalsContact O-CG1 3.22Å; A98-I102 WeakPolarHBondContact O-CG1 3.35Å; A98-I102 PolarHBondContact O-N 2.96Å
99L94.4Very high93.3Very high69 Ų6947.3 Ų47.336%0.36125%0.251SS..Hα-helixtrans-68.9-27.6177.4-75.2173.4000112W93 F95 R101 I102 A103W93-L99 HydrophobicContact CZ2-CB 3.92Å; W93-L99 WeakPolarHBondContact CZ2-O 3.34Å; F95-L99 HydrophobicContact CB-CB 3.83Å; F95-L99 HydrophobicContact CB-CD1 3.78Å; F95-L99 HydrophobicContact CB-CG 4.45Å; F95-L99 HydrophobicContact CD1-CD1 4.32Å; F95-L99 HydrophobicContact CG-CD1 4.44Å; L99-R101 VanDerWaalsContact C-N 3.26Å; L99-R101 PolarHBondContact O-N 3.43Å; L99-I102 PolarHBondContact O-N 3.32Å; L99-A103 WeakPolarHBondContact O-CB 3.38Å; L99-A103 PolarHBondContact O-N 3.29Å
100C95.3Very high93.4Very high0 Ų046.8 Ų46.80%025%0.25CC..Hα-helixtrans-55.5-46.4173.9173.10000110.1W93 G96 E97 A98 P104 Q164 L166 C177W93-C100 HydrophobicContact CD2-CB 4.33Å; W93-C100 HydrophobicContact CZ2-CB 4Å; G96-C100 PolarHBondContact O-N 3.18Å; G96-C100 VanDerWaalsContact O-N 3.1Å; E97-C100 VanDerWaalsContact O-CB 3.32Å; E97-C100 WeakPolarHBondContact O-CB 3.22Å; E97-C100 PolarHBondContact O-N 3.37Å; A98-C100 VanDerWaalsContact C-N 3.27Å; A98-C100 PolarHBondContact O-N 2.97Å; C100-P104 WeakPolarHBondContact O-CD 3.46Å; C100-P104 VanDerWaalsContact O-CG 3.27Å; C100-P104 WeakPolarHBondContact O-CG 3.35Å; C100-Q164 VanDerWaalsContact O-CG 3.26Å; C100-Q164 WeakPolarHBondContact O-CG 3.15Å; C100-L166 HydrophobicContact CB-CD1 4.49Å; C100-C177 WeakPolarHBondContact CA-SG 3.37Å; C100-C177 HydrophobicContact CB-CB 3.95Å; C100-C177 WeakPolarHBondContact CB-SG 3.5Å; C100-C177 PolarHBondContact O-SG 3.14Å; C100-C177 VanDerWaalsContact O-SG 3.41Å; C100-C177 VanDerWaalsContact SG-CA 3.57Å; C100-C177 WeakPolarHBondContact SG-CB 3.4Å; C100-C177 CovalentContact SG-SG 2.03Å; C100-C177 PolarHBondContact SG-SG 3.01Å
101R94.5Very high93.5Very high92 Ų9243 Ų4335%0.34724%0.235SC..Hα-helixtrans-77.9-42177.2-64-174.8179.8145.913.7113.8E97 A98 L99 F105 M161 Q164E97-R101 PolarHBondContact O-N 3.23Å; E97-R101 IonicContact OE1-CZ 3.98Å; E97-R101 VanDerWaalsContact OE1-CZ 3.25Å; E97-R101 IonicContact OE1-NH1 3.29Å; E97-R101 IonicContact OE1-NH2 2.81Å; E97-R101 PolarHBondContact OE1-NH2 3.42Å; A98-R101 PolarHBondContact O-N 2.85Å; L99-R101 VanDerWaalsContact C-N 3.26Å; L99-R101 PolarHBondContact O-N 3.43Å; R101-F105 WeakPolarHBondContact O-CB 3.43Å; R101-M161 HydrophobicContact CB-CG 4.11Å; R101-M161 WeakPolarHBondContact CD-O 3.24Å; R101-M161 WeakPolarHBondContact CG-O 3.38Å; R101-Q164 HydrophobicContact CG-CB 4.45Å; R101-Q164 WeakPolarHBondContact CG-O 3.45Å; R101-Q164 PolarHBondContact NE-O 3.3Å
102I94.3Very high93.7Very high71 Ų7142.8 Ų42.836%0.36423%0.234SC..Hα-helixtrans-79.2-39.2-169-67168.6000112.2A98 L99 F105 I106A98-I102 HydrophobicContact CB-CD1 4.44Å; A98-I102 WeakPolarHBondContact O-CB 3.31Å; A98-I102 VanDerWaalsContact O-CG1 3.22Å; A98-I102 WeakPolarHBondContact O-CG1 3.35Å; A98-I102 PolarHBondContact O-N 2.96Å; L99-I102 PolarHBondContact O-N 3.32Å; I102-F105 WeakPolarHBondContact O-CB 3.31Å; I102-F105 PolarHBondContact O-N 3.48Å; I102-I106 HydrophobicContact CG2-CD1 3.4Å; I102-I106 HydrophobicContact CG2-CG1 3.89Å; I102-I106 WeakPolarHBondContact O-CG1 3.42Å; I102-I106 PolarHBondContact O-N 2.86Å
103A93.7Very high93.9Very high9 Ų940.9 Ų40.97%0.07423%0.225CC..Hα-helixtrans-59.8-52-176.300000113.5I83 W93 L99 F105 I106 A107I83-A103 HydrophobicContact CD1-CB 3.84Å; W93-A103 HydrophobicContact CH2-CB 4.2Å; L99-A103 WeakPolarHBondContact O-CB 3.38Å; L99-A103 PolarHBondContact O-N 3.29Å; A103-F105 VanDerWaalsContact C-N 3.28Å; A103-F105 PolarHBondContact O-N 3.14Å; A103-I106 PolarHBondContact O-N 3.49Å; A103-A107 WeakPolarHBondContact O-CB 3.38Å; A103-A107 PolarHBondContact O-N 2.94Å
104P92.6Very high93.9Very high36 Ų3639.8 Ų39.823%0.23422%0.221CC..Hα-helixtrans-67.9-30.1178.128.9-35.9000112.1C100 A107 G108 I160 Q164C100-P104 WeakPolarHBondContact O-CD 3.46Å; C100-P104 VanDerWaalsContact O-CG 3.27Å; C100-P104 WeakPolarHBondContact O-CG 3.35Å; P104-A107 PolarHBondContact O-N 3.47Å; P104-G108 PolarHBondContact O-N 3.43Å; P104-I160 HydrophobicContact CB-CG2 3.69Å; P104-I160 HydrophobicContact CG-CG2 3.87Å; P104-Q164 HydrophobicContact CG-CG 4.31Å
105F94.9Very high93.8Very high36 Ų3635.4 Ų35.416%0.15820%0.199CC..Hα-helixtrans-64.4-48.8173.5175.6-121.3000112.4R101 I102 A103 A107 G108 I109 A154 T157 M161R101-F105 WeakPolarHBondContact O-CB 3.43Å; I102-F105 WeakPolarHBondContact O-CB 3.31Å; I102-F105 PolarHBondContact O-N 3.48Å; A103-F105 VanDerWaalsContact C-N 3.28Å; A103-F105 PolarHBondContact O-N 3.14Å; F105-A107 VanDerWaalsContact C-N 3.33Å; F105-A107 PolarHBondContact O-N 2.85Å; F105-G108 PolarHBondContact O-N 2.8Å; F105-I109 HydrophobicContact CD1-CD1 3.84Å; F105-I109 HydrophobicContact CD2-CD1 4Å; F105-I109 HydrophobicContact CD2-CG1 4.34Å; F105-I109 HydrophobicContact CE1-CD1 3.42Å; F105-I109 VanDerWaalsContact CE1-CD1 3.42Å; F105-I109 HydrophobicContact CE2-CD1 3.57Å; F105-I109 HydrophobicContact CE2-CG1 4.03Å; F105-I109 HydrophobicContact CG-CD1 4.13Å; F105-I109 HydrophobicContact CZ-CD1 3.29Å; F105-I109 HydrophobicContact CZ-CG1 4.22Å; F105-I109 WeakPolarHBondContact O-CG1 3.28Å; F105-I109 PolarHBondContact O-N 2.79Å; F105-A154 WeakPolarHBondContact CE2-O 3.25Å; F105-A154 HydrophobicContact CZ-CB 4.27Å; F105-T157 HydrophobicContact CD2-CG2 3.92Å; F105-T157 WeakPolarHBondContact O-CG2 3.47Å; F105-M161 HydrophobicContact CB-CB 3.99Å; F105-M161 HydrophobicContact CB-CG 4.35Å; F105-M161 HydrophobicContact CD1-SD 3.96Å; F105-M161 HydrophobicContact CD2-CB 4.14Å; F105-M161 HydrophobicContact CE1-SD 4.13Å; F105-M161 HydrophobicContact CG-CB 4Å; F105-M161 HydrophobicContact CG-CG 4.37Å; F105-M161 HydrophobicContact CG-SD 4.32Å
106I94.8Very high93.9Very high49 Ų4934 Ų3425%0.25119%0.193SC..Hα-helixtrans-64.2-39.6176.5-70.3178.3000111V75 T79 I102 A103 I109 S110V75-I106 HydrophobicContact CG1-CG2 3.3Å; T79-I106 HydrophobicContact CG2-CG2 4.19Å; I102-I106 HydrophobicContact CG2-CD1 3.4Å; I102-I106 HydrophobicContact CG2-CG1 3.89Å; I102-I106 WeakPolarHBondContact O-CG1 3.42Å; I102-I106 PolarHBondContact O-N 2.86Å; A103-I106 PolarHBondContact O-N 3.49Å; I106-I109 PolarHBondContact O-N 2.93Å; I106-S110 WeakPolarHBondContact O-CB 3.14Å; I106-S110 PolarHBondContact O-N 3.02Å; I106-S110 PolarHBondContact O-OG 2.77Å
107A92.6Very high93.9Very high23 Ų2332.6 Ų32.619%0.1918%0.178CC..Hα-helixtrans-60.9-47.3176.800000111.3A103 P104 F105 S110 L111A103-A107 WeakPolarHBondContact O-CB 3.38Å; A103-A107 PolarHBondContact O-N 2.94Å; P104-A107 PolarHBondContact O-N 3.47Å; F105-A107 VanDerWaalsContact C-N 3.33Å; F105-A107 PolarHBondContact O-N 2.85Å; A107-S110 PolarHBondContact O-N 3.5Å; A107-L111 WeakPolarHBondContact O-CB 3.46Å; A107-L111 PolarHBondContact O-N 3.33Å
108G93Very high93.7Very high14 Ų1428.2 Ų28.214%0.14416%0.158CC..Hα-helixtrans-66.6-37.6176.900000113.2P104 F105 C112P104-G108 PolarHBondContact O-N 3.43Å; F105-G108 PolarHBondContact O-N 2.8Å; G108-C112 WeakPolarHBondContact O-CB 3.41Å; G108-C112 PolarHBondContact O-N 2.67Å; G108-C112 PolarHBondContact O-SG 2.92Å
109I95.7Very high93.7Very high28 Ų2825.6 Ų25.614%0.14414%0.135CC..Hα-helixtrans-59.1-51171.6-73.2165.5000110.4F105 I106 L111 C112 F113 A153 A154F105-I109 HydrophobicContact CD1-CD1 3.84Å; F105-I109 HydrophobicContact CD2-CD1 4Å; F105-I109 HydrophobicContact CD2-CG1 4.34Å; F105-I109 HydrophobicContact CE1-CD1 3.42Å; F105-I109 VanDerWaalsContact CE1-CD1 3.42Å; F105-I109 HydrophobicContact CE2-CD1 3.57Å; F105-I109 HydrophobicContact CE2-CG1 4.03Å; F105-I109 HydrophobicContact CG-CD1 4.13Å; F105-I109 HydrophobicContact CZ-CD1 3.29Å; F105-I109 HydrophobicContact CZ-CG1 4.22Å; F105-I109 WeakPolarHBondContact O-CG1 3.28Å; F105-I109 PolarHBondContact O-N 2.79Å; I106-I109 PolarHBondContact O-N 2.93Å; I109-L111 VanDerWaalsContact C-N 3.3Å; I109-L111 PolarHBondContact O-N 2.94Å; I109-C112 PolarHBondContact O-N 2.95Å; I109-F113 WeakPolarHBondContact O-CB 3.46Å; I109-F113 PolarHBondContact O-N 3.03Å; I109-A153 HydrophobicContact CG2-CB 4.32Å; I109-A154 HydrophobicContact CD1-CB 3.97Å; I109-A154 HydrophobicContact CG1-CB 4.17Å
110S94.1Very high93.6Very high6 Ų623.3 Ų23.34%0.04213%0.126CC..Hα-helixtrans-64.6-39.1-173.8-55.50000111.4S72 I106 A107 S114S72-S110 PolarHBondContact OG-O 3.42Å; I106-S110 WeakPolarHBondContact O-CB 3.14Å; I106-S110 PolarHBondContact O-N 3.02Å; I106-S110 PolarHBondContact O-OG 2.77Å; A107-S110 PolarHBondContact O-N 3.5Å; S110-S114 WeakPolarHBondContact O-CB 3.19Å; S110-S114 PolarHBondContact O-N 3.3Å; S110-S114 PolarHBondContact O-OG 2.94Å
111L90.8Very high93.4Very high35 Ų3523.6 Ų23.618%0.18313%0.128CC..Hα-helixtrans-59.3-56.6171.1175.552.7000110.1A107 I109 F113 S114 T115 Q199 F264 W268A107-L111 WeakPolarHBondContact O-CB 3.46Å; A107-L111 PolarHBondContact O-N 3.33Å; I109-L111 VanDerWaalsContact C-N 3.3Å; I109-L111 PolarHBondContact O-N 2.94Å; L111-F113 PolarHBondContact O-N 3.26Å; L111-S114 PolarHBondContact O-N 3.43Å; L111-T115 PolarHBondContact O-N 3.47Å; L111-T115 PolarHBondContact O-OG1 3.4Å; L111-Q199 VanDerWaalsContact CD1-NE2 3.3Å; L111-Q199 HydrophobicContact CG-CG 4.16Å; L111-Q199 VanDerWaalsContact CG-NE2 3.3Å; L111-Q199 PolarHBondContact O-NE2 3.37Å; L111-F264 HydrophobicContact CD1-CZ 3.78Å; L111-W268 HydrophobicContact CB-CH2 4.26Å; L111-W268 HydrophobicContact CD1-CD2 3.63Å; L111-W268 HydrophobicContact CD1-CE3 3.59Å; L111-W268 HydrophobicContact CD1-CG 4.39Å; L111-W268 HydrophobicContact CD1-CH2 3.7Å; L111-W268 HydrophobicContact CD1-CZ2 3.74Å; L111-W268 HydrophobicContact CD1-CZ3 3.63Å; L111-W268 HydrophobicContact CD2-CE3 3.91Å; L111-W268 HydrophobicContact CD2-CH2 4.11Å; L111-W268 HydrophobicContact CD2-CZ3 3.54Å; L111-W268 HydrophobicContact CG-CE3 4.37Å; L111-W268 HydrophobicContact CG-CH2 4.22Å; L111-W268 HydrophobicContact CG-CZ3 4.07Å
112C94Very high93.2Very high4 Ų419.2 Ų19.23%0.02711%0.111CC..Hα-helixtrans-55-49.8-180-73.30000113.1G108 I109 S114 T115 F116 A153 Q199G108-C112 WeakPolarHBondContact O-CB 3.41Å; G108-C112 PolarHBondContact O-N 2.67Å; G108-C112 PolarHBondContact O-SG 2.92Å; I109-C112 PolarHBondContact O-N 2.95Å; C112-S114 VanDerWaalsContact C-N 3.32Å; C112-S114 PolarHBondContact O-N 3.02Å; C112-T115 PolarHBondContact O-N 2.91Å; C112-F116 HydrophobicContact CB-CD2 4.34Å; C112-F116 HydrophobicContact CB-CE2 4.02Å; C112-F116 WeakPolarHBondContact O-CB 3.48Å; C112-F116 WeakPolarHBondContact O-CD2 3.37Å; C112-F116 VanDerWaalsContact O-CG 3.3Å; C112-F116 WeakPolarHBondContact O-CG 3.4Å; C112-F116 PolarHBondContact O-N 2.83Å; C112-A153 HydrophobicContact CB-CB 3.48Å; C112-A153 VanDerWaalsContact CB-CB 3.48Å; C112-Q199 VanDerWaalsContact CA-OE1 3.22Å
113F95.3Very high93Very high17 Ų1719 Ų198%0.07511%0.11CC..Hα-helixtrans-56.4-44.9178.6-178.1-92.9000112.2I109 L111 T117 I146 I149 C150 A153I109-F113 WeakPolarHBondContact O-CB 3.46Å; I109-F113 PolarHBondContact O-N 3.03Å; L111-F113 PolarHBondContact O-N 3.26Å; F113-T117 VanDerWaalsContact O-CB 3.24Å; F113-T117 WeakPolarHBondContact O-CB 3.27Å; F113-T117 PolarHBondContact O-N 3.16Å; F113-T117 PolarHBondContact O-OG1 3.02Å; F113-I146 HydrophobicContact CE2-CG2 4.02Å; F113-I146 HydrophobicContact CZ-CG2 3.9Å; F113-I149 HydrophobicContact CD2-CB 4.45Å; F113-I149 HydrophobicContact CD2-CG2 3.66Å; F113-I149 HydrophobicContact CE2-CB 4.44Å; F113-I149 HydrophobicContact CE2-CG2 4.02Å; F113-I149 HydrophobicContact CG-CG2 4.35Å; F113-C150 HydrophobicContact CD2-CB 3.97Å; F113-C150 HydrophobicContact CE2-CB 4.01Å; F113-A153 HydrophobicContact CB-CB 4.43Å
114S92.5Very high92.8Very high3 Ų319.2 Ų19.22%0.02111%0.11CC..Hα-helixtrans-63-47.3-178.1-60.70000111.9S72 S110 L111 C112 T117 L118S72-S114 PolarHBondContact OG-OG 3.2Å; S110-S114 WeakPolarHBondContact O-CB 3.19Å; S110-S114 PolarHBondContact O-N 3.3Å; S110-S114 PolarHBondContact O-OG 2.94Å; L111-S114 PolarHBondContact O-N 3.43Å; C112-S114 VanDerWaalsContact C-N 3.32Å; C112-S114 PolarHBondContact O-N 3.02Å; S114-T117 PolarHBondContact O-N 2.89Å; S114-L118 WeakPolarHBondContact O-CG 3.26Å; S114-L118 PolarHBondContact O-N 3.42Å
115T92.1Very high92.5Very high2 Ų220.4 Ų20.41%0.01211%0.11CC..Hα-helixtrans-71.7-40.7-177.2-55.60000112.7L111 C112 T117 L118 T119 Q199 P203 F264L111-T115 PolarHBondContact O-N 3.47Å; L111-T115 PolarHBondContact O-OG1 3.4Å; C112-T115 PolarHBondContact O-N 2.91Å; T115-T117 VanDerWaalsContact C-N 3.29Å; T115-T117 PolarHBondContact O-N 3.41Å; T115-L118 PolarHBondContact O-N 2.85Å; T115-T119 WeakPolarHBondContact O-CB 3.33Å; T115-T119 PolarHBondContact O-N 2.92Å; T115-T119 PolarHBondContact O-OG1 3.22Å; T115-Q199 VanDerWaalsContact CB-NE2 3.25Å; T115-Q199 WeakPolarHBondContact CG2-O 3.38Å; T115-Q199 PolarHBondContact OG1-NE2 3.27Å; T115-P203 HydrophobicContact CG2-CB 3.3Å; T115-P203 HydrophobicContact CG2-CG 3.78Å; T115-F264 HydrophobicContact CG2-CE1 4.42Å; T115-F264 WeakPolarHBondContact OG1-CE1 3.07Å; T115-F264 WeakPolarHBondContact OG1-CZ 3.33Å
116F95.1Very high92.2Very high27 Ų2722 Ų2212%0.11812%0.115CC..Hα-helixtrans-64.8-34.7173.1-65.7-30.9000112.1C112 T119 A120 I149 F152 I156 L198 P203C112-F116 HydrophobicContact CB-CD2 4.34Å; C112-F116 HydrophobicContact CB-CE2 4.02Å; C112-F116 WeakPolarHBondContact O-CB 3.48Å; C112-F116 WeakPolarHBondContact O-CD2 3.37Å; C112-F116 VanDerWaalsContact O-CG 3.3Å; C112-F116 WeakPolarHBondContact O-CG 3.4Å; C112-F116 PolarHBondContact O-N 2.83Å; F116-T119 WeakPolarHBondContact O-CB 3.29Å; F116-T119 PolarHBondContact O-N 2.82Å; F116-A120 WeakPolarHBondContact O-CB 3.16Å; F116-A120 PolarHBondContact O-N 3.39Å; F116-I149 HydrophobicContact CB-CB 4.49Å; F116-I149 HydrophobicContact CB-CD1 4.49Å; F116-I149 HydrophobicContact CB-CG1 4.26Å; F116-I149 HydrophobicContact CB-CG2 3.51Å; F116-I149 HydrophobicContact CD2-CG2 4.28Å; F116-I149 HydrophobicContact CG-CG2 4.41Å; F116-F152 HydrophobicContact CD2-CD1 4.11Å; F116-F152 AromaticContact CE2-CD1 3.59Å; F116-F152 HydrophobicContact CE2-CD1 3.59Å; F116-F152 AromaticContact CE2-CE1 3.91Å; F116-F152 HydrophobicContact CE2-CE1 3.91Å; F116-F152 HydrophobicContact CZ-CD1 4.03Å; F116-F152 AromaticContact CZ-CE1 3.85Å; F116-F152 HydrophobicContact CZ-CE1 3.85Å; F116-I156 HydrophobicContact CE2-CD1 4.28Å; F116-I156 HydrophobicContact CZ-CD1 4.22Å; F116-L198 VanDerWaalsContact CE1-O 3.25Å; F116-L198 WeakPolarHBondContact CE1-O 3.47Å; F116-P203 HydrophobicContact CD1-CG 4.04Å; F116-P203 HydrophobicContact CE1-CG 3.86Å
117T93.9Very high91.9Very high0 Ų021.6 Ų21.60%011%0.113CC..Hα-helixtrans-66.6-44.6173.7-59.50000111.6F65 L69 F113 S114 T115 T119 A120 I121F65-T117 HydrophobicContact CB-CG2 3.88Å; F65-T117 HydrophobicContact CD1-CG2 3.94Å; F65-T117 HydrophobicContact CG-CG2 4.32Å; L69-T117 HydrophobicContact CD1-CG2 3.93Å; L69-T117 HydrophobicContact CD2-CG2 4.28Å; L69-T117 HydrophobicContact CG-CG2 3.74Å; F113-T117 VanDerWaalsContact O-CB 3.24Å; F113-T117 WeakPolarHBondContact O-CB 3.27Å; F113-T117 PolarHBondContact O-N 3.16Å; F113-T117 PolarHBondContact O-OG1 3.02Å; S114-T117 PolarHBondContact O-N 2.89Å; T115-T117 VanDerWaalsContact C-N 3.29Å; T115-T117 PolarHBondContact O-N 3.41Å; T117-T119 PolarHBondContact O-N 3.38Å; T117-A120 PolarHBondContact O-N 3Å; T117-I121 HydrophobicContact CG2-CD1 4.16Å; T117-I121 VanDerWaalsContact O-CG1 3.29Å; T117-I121 WeakPolarHBondContact O-CG1 3.39Å; T117-I121 PolarHBondContact O-N 3.25Å
118L90.4Very high91.6Very high6 Ų622.6 Ų22.63%0.03112%0.115CC..Hα-helixtrans-59-38173-71.7172.5000111.9L69 S114 T115 I121 S122 I207 M260 F264L69-L118 HydrophobicContact CD1-CD2 4.11Å; S114-L118 WeakPolarHBondContact O-CG 3.26Å; S114-L118 PolarHBondContact O-N 3.42Å; T115-L118 PolarHBondContact O-N 2.85Å; L118-I121 PolarHBondContact O-N 3.36Å; L118-S122 PolarHBondContact O-N 3.4Å; L118-I207 HydrophobicContact CB-CD1 4.26Å; L118-M260 HydrophobicContact CD2-CE 3.9Å; L118-F264 HydrophobicContact CD1-CB 4.18Å; L118-F264 HydrophobicContact CD1-CD1 4.43Å; L118-F264 HydrophobicContact CD1-CD2 4.2Å; L118-F264 HydrophobicContact CD1-CG 4Å
119T93.3Very high91Very high11 Ų1123.2 Ų23.27%0.06712%0.115CC..Hα-helixtrans-64.3-48.6174.9-54.20000111.2T115 F116 T117 I121 S122 I123 P203 I206T115-T119 WeakPolarHBondContact O-CB 3.33Å; T115-T119 PolarHBondContact O-N 2.92Å; T115-T119 PolarHBondContact O-OG1 3.22Å; F116-T119 WeakPolarHBondContact O-CB 3.29Å; F116-T119 PolarHBondContact O-N 2.82Å; T117-T119 PolarHBondContact O-N 3.38Å; T119-I121 VanDerWaalsContact C-N 3.32Å; T119-I121 PolarHBondContact O-N 3.5Å; T119-S122 PolarHBondContact O-N 3.5Å; T119-S122 PolarHBondContact O-OG 3.03Å; T119-I123 HydrophobicContact CG2-CD1 4.04Å; T119-I123 WeakPolarHBondContact O-CG1 3.48Å; T119-I123 PolarHBondContact O-N 3.39Å; T119-P203 WeakPolarHBondContact OG1-CB 3.29Å; T119-I206 HydrophobicContact CG2-CB 4.03Å; T119-I206 HydrophobicContact CG2-CD1 4.16Å; T119-I206 HydrophobicContact CG2-CG2 3.65Å
120A93.6Very high90.4Very high20 Ų2026.9 Ų26.917%0.16513%0.127CC..Hα-helixtrans-58.8-42.2176.600000112.1F65 F116 T117 S122 I123 D124 V145 I149F65-A120 HydrophobicContact CE1-CB 4.42Å; F116-A120 WeakPolarHBondContact O-CB 3.16Å; F116-A120 PolarHBondContact O-N 3.39Å; T117-A120 PolarHBondContact O-N 3Å; A120-S122 VanDerWaalsContact C-N 3.34Å; A120-S122 PolarHBondContact O-N 2.94Å; A120-I123 PolarHBondContact O-N 3.1Å; A120-D124 WeakPolarHBondContact O-CB 3.45Å; A120-D124 PolarHBondContact O-N 2.95Å; A120-V145 HydrophobicContact CB-CG1 4.25Å; A120-I149 HydrophobicContact CB-CD1 3.91Å
121I90.5Very high90Very high7 Ų731.4 Ų31.44%0.03615%0.146CC..Hα-helixtrans-59.6-45.8173.7-66163.7000110.1F65 L69 T117 L118 T119 I123 D124 R125 L257F65-I121 HydrophobicContact CB-CD1 3.74Å; F65-I121 HydrophobicContact CB-CG1 3.62Å; F65-I121 HydrophobicContact CD2-CG1 4.08Å; F65-I121 HydrophobicContact CG-CG1 3.93Å; L69-I121 HydrophobicContact CD1-CD1 3.89Å; T117-I121 HydrophobicContact CG2-CD1 4.16Å; T117-I121 VanDerWaalsContact O-CG1 3.29Å; T117-I121 WeakPolarHBondContact O-CG1 3.39Å; T117-I121 PolarHBondContact O-N 3.25Å; L118-I121 PolarHBondContact O-N 3.36Å; T119-I121 VanDerWaalsContact C-N 3.32Å; T119-I121 PolarHBondContact O-N 3.5Å; I121-I123 PolarHBondContact O-N 3.09Å; I121-D124 PolarHBondContact O-N 3.48Å; I121-R125 HydrophobicContact CG2-CG 4.32Å; I121-R125 WeakPolarHBondContact O-CB 3.2Å; I121-R125 WeakPolarHBondContact O-CG 3.36Å; I121-R125 PolarHBondContact O-N 2.93Å; I121-L257 HydrophobicContact CG2-CD1 4.31Å; I121-L257 HydrophobicContact CG2-CD2 3.64Å
122S89.1Confident89.4Confident0 Ų034.4 Ų34.40%017%0.168CC..Hα-helixtrans-62.6-40.6-179.677.10000112.7L118 T119 A120 R125 Y126 Y211L118-S122 PolarHBondContact O-N 3.4Å; T119-S122 PolarHBondContact O-N 3.5Å; T119-S122 PolarHBondContact O-OG 3.03Å; A120-S122 VanDerWaalsContact C-N 3.34Å; A120-S122 PolarHBondContact O-N 2.94Å; S122-R125 PolarHBondContact O-N 3.16Å; S122-Y126 WeakPolarHBondContact O-CB 3.5Å; S122-Y126 PolarHBondContact O-N 3.46Å; S122-Y211 WeakPolarHBondContact CA-OH 3.44Å; S122-Y211 WeakPolarHBondContact CB-OH 3.13Å
123I91.3Very high88.9Confident66 Ų6642.8 Ų42.834%0.33821%0.209SC..Hα-helixtrans-67.1-48.9177.1-66.8169.1000111.1T119 A120 I121 R125 Y126 I127 I206T119-I123 HydrophobicContact CG2-CD1 4.04Å; T119-I123 WeakPolarHBondContact O-CG1 3.48Å; T119-I123 PolarHBondContact O-N 3.39Å; A120-I123 PolarHBondContact O-N 3.1Å; I121-I123 PolarHBondContact O-N 3.09Å; I123-R125 VanDerWaalsContact C-N 3.26Å; I123-R125 PolarHBondContact O-N 3.34Å; I123-Y126 PolarHBondContact O-N 3.24Å; I123-I127 HydrophobicContact CG2-CD1 3.71Å; I123-I127 HydrophobicContact CG2-CG1 4.35Å; I123-I127 WeakPolarHBondContact O-CG1 3.32Å; I123-I127 PolarHBondContact O-N 3.38Å; I123-I206 HydrophobicContact CD1-CG2 4Å; I123-I206 HydrophobicContact CG1-CG2 3.92Å
124D89.6Confident88.5Confident14 Ų1449.4 Ų49.48%0.07523%0.233CC..Hα-helixtrans-54.3-46.6176.9174.873.9000110.6A120 I121 I127 L128A120-D124 WeakPolarHBondContact O-CB 3.45Å; A120-D124 PolarHBondContact O-N 2.95Å; I121-D124 PolarHBondContact O-N 3.48Å; D124-I127 PolarHBondContact O-N 3.17Å; D124-L128 WeakPolarHBondContact O-CB 3.38Å; D124-L128 VanDerWaalsContact O-CG 3.32Å; D124-L128 WeakPolarHBondContact O-CG 3.46Å; D124-L128 PolarHBondContact O-N 3.46Å; D124-L128 WeakPolarHBondContact OD2-CD1 3.46Å
125R86.6Confident88.1Confident60 Ų6058.2 Ų58.223%0.22627%0.271CS..Hα-helixtrans-64.6-43.4178.2-67.8-64.5178.7-153.113112.9I121 S122 I123 I127 L128 I129 I214 L257I121-R125 HydrophobicContact CG2-CG 4.32Å; I121-R125 WeakPolarHBondContact O-CB 3.2Å; I121-R125 WeakPolarHBondContact O-CG 3.36Å; I121-R125 PolarHBondContact O-N 2.93Å; S122-R125 PolarHBondContact O-N 3.16Å; I123-R125 VanDerWaalsContact C-N 3.26Å; I123-R125 PolarHBondContact O-N 3.34Å; R125-I127 VanDerWaalsContact C-N 3.34Å; R125-I127 PolarHBondContact O-N 3.02Å; R125-L128 PolarHBondContact O-N 3.26Å; R125-I129 WeakPolarHBondContact O-CB 3.47Å; R125-I129 WeakPolarHBondContact O-CD1 3.38Å; R125-I129 WeakPolarHBondContact O-CG1 3.39Å; R125-I129 PolarHBondContact O-N 3.4Å; R125-I214 HydrophobicContact CB-CD1 4.24Å; R125-L257 HydrophobicContact CG-CD1 3.8Å
126Y88Confident87.9Confident70 Ų7062.2 Ų62.228%0.27530%0.297SS..Hα-helixtrans-58.8-48.2176171.4-106.8000110.9S122 I123 I129 R130 A213 I214S122-Y126 WeakPolarHBondContact O-CB 3.5Å; S122-Y126 PolarHBondContact O-N 3.46Å; I123-Y126 PolarHBondContact O-N 3.24Å; Y126-I129 PolarHBondContact O-N 3.1Å; Y126-R130 HydrophobicContact CE2-CB 4.14Å; Y126-R130 HydrophobicContact CE2-CG 4.33Å; Y126-R130 WeakPolarHBondContact O-CB 3.41Å; Y126-R130 PolarHBondContact O-N 3.5Å; Y126-A213 HydrophobicContact CD2-CB 4Å; Y126-A213 HydrophobicContact CE2-CB 3.53Å; Y126-I214 HydrophobicContact CD2-CG1 4.17Å
127I88.6Confident87.7Confident41 Ų4163.5 Ų63.521%0.2131%0.305CS..Hα-helixtrans-61-49.7-179.9-69.3171.2000111.1I123 D124 R125 I129 R130 F131I123-I127 HydrophobicContact CG2-CD1 3.71Å; I123-I127 HydrophobicContact CG2-CG1 4.35Å; I123-I127 WeakPolarHBondContact O-CG1 3.32Å; I123-I127 PolarHBondContact O-N 3.38Å; D124-I127 PolarHBondContact O-N 3.17Å; R125-I127 VanDerWaalsContact C-N 3.34Å; R125-I127 PolarHBondContact O-N 3.02Å; I127-I129 VanDerWaalsContact C-N 3.31Å; I127-I129 PolarHBondContact O-N 2.66Å; I127-R130 PolarHBondContact O-N 3.39Å; I127-F131 WeakPolarHBondContact O-CA 3.41Å; I127-F131 WeakPolarHBondContact O-CB 3.41Å; I127-F131 PolarHBondContact O-N 3.11Å
128L85.4Confident87.7Confident44 Ų4466.8 Ų66.823%0.2333%0.325CS..Hα-helixtrans-64.4-34-178.5-71.1175000113.2D124 R125 P136D124-L128 WeakPolarHBondContact O-CB 3.38Å; D124-L128 VanDerWaalsContact O-CG 3.32Å; D124-L128 WeakPolarHBondContact O-CG 3.46Å; D124-L128 PolarHBondContact O-N 3.46Å; D124-L128 WeakPolarHBondContact OD2-CD1 3.46Å; R125-L128 PolarHBondContact O-N 3.26Å; L128-P136 HydrophobicContact CD2-CB 3.91Å
129I82.1Confident87.7Confident26 Ų2670.3 Ų70.313%0.13334%0.341CS..Hα-helixtrans-80.3-40.7179.6-67170.4000110.9R125 Y126 I127 I214 I218R125-I129 WeakPolarHBondContact O-CB 3.47Å; R125-I129 WeakPolarHBondContact O-CD1 3.38Å; R125-I129 WeakPolarHBondContact O-CG1 3.39Å; R125-I129 PolarHBondContact O-N 3.4Å; Y126-I129 PolarHBondContact O-N 3.1Å; I127-I129 VanDerWaalsContact C-N 3.31Å; I127-I129 PolarHBondContact O-N 2.66Å; I129-I214 HydrophobicContact CD1-CD1 4.18Å; I129-I214 HydrophobicContact CD1-CG1 4.08Å; I129-I214 HydrophobicContact CD1-CG2 3.64Å; I129-I214 HydrophobicContact CG2-CG2 4.37Å; I129-I218 HydrophobicContact CG2-CG1 4.5Å
130R82.5Confident87.8Confident105 Ų10579.7 Ų79.740%0.39638%0.377SS..Hα-helixtrans-75.7-38.2-177.6-176.264.7-176.2-178.32.6112.2Y126 I127 P132Y126-R130 HydrophobicContact CE2-CB 4.14Å; Y126-R130 HydrophobicContact CE2-CG 4.33Å; Y126-R130 WeakPolarHBondContact O-CB 3.41Å; Y126-R130 PolarHBondContact O-N 3.5Å; I127-R130 PolarHBondContact O-N 3.39Å; R130-P132 WeakPolarHBondContact O-CD 3.47Å
131F84.4Confident87.8Confident101 Ų10183.7 Ų83.744%0.44339%0.392SS..  trans-123.576-174-54.1-75000110.7I127 M133 R134I127-F131 WeakPolarHBondContact O-CA 3.41Å; I127-F131 WeakPolarHBondContact O-CB 3.41Å; I127-F131 PolarHBondContact O-N 3.11Å; F131-M133 PolarHBondContact O-N 3.14Å; F131-M133 VanDerWaalsContact O-N 3.07Å; F131-R134 HydrophobicContact CB-CB 4.07Å; F131-R134 WeakPolarHBondContact O-CB 3.45Å; F131-R134 PolarHBondContact O-N 2.65Å
132P80.1Confident88Confident99 Ų9983.4 Ų83.464%0.64339%0.39SS*.THydrogen-bonded Turntrans-63.9-17.8-174.426.2-35.6000114.2R130R130-P132 WeakPolarHBondContact O-CD 3.47Å
133M83.3Confident88.3Confident180 Ų18087.4 Ų87.489%0.88742%0.415SS*.THydrogen-bonded Turntrans-86-10.3176.5-60.7-58.7-68.600113.2F131F131-M133 PolarHBondContact O-N 3.14Å; F131-M133 VanDerWaalsContact O-N 3.07Å
134R85.4Confident88.6Confident155 Ų15585.7 Ų85.759%0.58541%0.413SS*.SBendtrans-75.5133.9177-161-171.1-179141-1.7108.6F131F131-R134 HydrophobicContact CB-CB 4.07Å; F131-R134 WeakPolarHBondContact O-CB 3.45Å; F131-R134 PolarHBondContact O-N 2.65Å
135K85.7Confident89Confident188 Ų18887.5 Ų87.582%0.81743%0.425SS*.PPolyproline II helixtrans-61.7134.9175.8-64.8-176.5-179-179.70109.6
136P86.8Confident89.5Confident87 Ų8786 Ų8657%0.56542%0.421SS*.PPolyproline II helixtrans-61.7152.8171.927.6-33.9000110.1L128L128-P136 HydrophobicContact CD2-CB 3.91Å
137I91.3Very high89.9Confident54 Ų5485.4 Ų85.428%0.27743%0.431SS..PPolyproline II helixtrans-61.3146.1173.965.8179.6000109.7V61 F65 Q141 A142V61-I137 HydrophobicContact CB-CG1 4.42Å; V61-I137 HydrophobicContact CG1-CD1 3.51Å; V61-I137 HydrophobicContact CG1-CG1 3.44Å; V61-I137 VanDerWaalsContact CG1-CG1 3.44Å; V61-I137 HydrophobicContact CG2-CG1 4.29Å; V61-I137 WeakPolarHBondContact CG2-O 3.5Å; F65-I137 HydrophobicContact CE2-CD1 4.04Å; F65-I137 HydrophobicContact CZ-CD1 4.12Å; I137-Q141 HydrophobicContact CB-CB 4.28Å; I137-A142 HydrophobicContact CD1-CB 4.21Å
138T93Very high90.4Very high69 Ų6989.1 Ų89.142%0.42345%0.45SS..PPolyproline II helixtrans-81.6166.5178.369.70000111.1Y140 Q141 A142T138-Y140 VanDerWaalsContact C-N 3.32Å; T138-Y140 PolarHBondContact O-N 2.92Å; T138-Q141 PolarHBondContact O-N 3.09Å; T138-Q141 WeakPolarHBondContact OG1-CG 3.45Å; T138-Q141 PolarHBondContact OG1-N 3.18Å; T138-Q141 PolarHBondContact OG1-OE1 3.49Å; T138-A142 PolarHBondContact O-N 2.91Å
139H91.9Very high91Very high80 Ų8087.9 Ų87.937%0.3744%0.443SS..Hα-helixtrans-55.2-45.9173.5-94.8-110.8000112.6Q59 L64 Q141 A142 V143Q59-H139 PolarHBondContact O-CE1 3.49Å; Q59-H139 PolarHBondContact O-NE2 3.2Å; L64-H139 WeakPolarHBondContact CD1-ND1 3.37Å; H139-Q141 VanDerWaalsContact C-N 3.33Å; H139-Q141 PolarHBondContact O-N 3.47Å; H139-A142 PolarHBondContact O-N 3.43Å; H139-V143 WeakPolarHBondContact O-CG2 3.44Å; H139-V143 PolarHBondContact O-N 3.38Å
140Y94.3Very high91.7Very high208 Ų20889.4 Ų89.482%0.81646%0.455SS*.Hα-helixtrans-62.1-40.6178.6-62.2-75.2000112.2T138 V143 G144T138-Y140 VanDerWaalsContact C-N 3.32Å; T138-Y140 PolarHBondContact O-N 2.92Å; Y140-V143 PolarHBondContact O-N 3.38Å; Y140-G144 PolarHBondContact O-N 3.33Å
141Q94.9Very high92.4Very high104 Ų10487 Ų8749%0.48646%0.458SS..Hα-helixtrans-65.3-41.5175.5-71.9173.6-34.100111.6I137 T138 H139 G144 V145I137-Q141 HydrophobicContact CB-CB 4.28Å; T138-Q141 PolarHBondContact O-N 3.09Å; T138-Q141 WeakPolarHBondContact OG1-CG 3.45Å; T138-Q141 PolarHBondContact OG1-N 3.18Å; T138-Q141 PolarHBondContact OG1-OE1 3.49Å; H139-Q141 VanDerWaalsContact C-N 3.33Å; H139-Q141 PolarHBondContact O-N 3.47Å; Q141-G144 PolarHBondContact O-N 2.96Å; Q141-V145 WeakPolarHBondContact O-CG2 3.23Å; Q141-V145 PolarHBondContact O-N 3.01Å
142A94.4Very high93Very high0 Ų087 Ų870%046%0.458CS..Hα-helixtrans-62.5-44.4177.400000112.2V61 L64 F65 I137 T138 H139 G144 V145 I146V61-A142 HydrophobicContact CB-CB 4.37Å; V61-A142 HydrophobicContact CG1-CB 3.93Å; V61-A142 HydrophobicContact CG2-CB 3.95Å; L64-A142 HydrophobicContact CD1-CB 4.32Å; F65-A142 HydrophobicContact CZ-CB 4.32Å; I137-A142 HydrophobicContact CD1-CB 4.21Å; T138-A142 PolarHBondContact O-N 2.91Å; H139-A142 PolarHBondContact O-N 3.43Å; A142-G144 VanDerWaalsContact C-N 3.33Å; A142-G144 PolarHBondContact O-N 2.95Å; A142-V145 PolarHBondContact O-N 2.85Å; A142-I146 WeakPolarHBondContact O-CG1 3.4Å; A142-I146 PolarHBondContact O-N 3.37Å
143V95.7Very high93.8Very high84 Ų8482.3 Ų82.351%0.50943%0.428SS..Hα-helixtrans-62.4-41.6174174.10000111.1L64 H139 Y140 V145 I146 A147L64-V143 HydrophobicContact CD1-CG2 4.41Å; H139-V143 WeakPolarHBondContact O-CG2 3.44Å; H139-V143 PolarHBondContact O-N 3.38Å; Y140-V143 PolarHBondContact O-N 3.38Å; V143-V145 PolarHBondContact O-N 2.85Å; V143-I146 PolarHBondContact O-N 2.92Å; V143-A147 PolarHBondContact O-N 2.9Å
144G97.3Very high94.5Very high30 Ų3075 Ų7531%0.30940%0.396SS..Hα-helixtrans-59.4-44173.900000112.8Y140 Q141 A142 A147 I148Y140-G144 PolarHBondContact O-N 3.33Å; Q141-G144 PolarHBondContact O-N 2.96Å; A142-G144 VanDerWaalsContact C-N 3.33Å; A142-G144 PolarHBondContact O-N 2.95Å; G144-A147 PolarHBondContact O-N 3.42Å; G144-I148 VanDerWaalsContact O-CG1 3.27Å; G144-I148 WeakPolarHBondContact O-CG1 3.36Å; G144-I148 PolarHBondContact O-N 3.46Å
145V96.8Very high95Very high52 Ų5272 Ų7232%0.31540%0.395SS..Hα-helixtrans-61.3-45.2175.2170.60000111.1F65 A120 Q141 A142 V143 A147 I148 I149F65-V145 HydrophobicContact CE1-CB 4.41Å; F65-V145 HydrophobicContact CE1-CG1 3.96Å; F65-V145 HydrophobicContact CZ-CG1 4.2Å; A120-V145 HydrophobicContact CB-CG1 4.25Å; Q141-V145 WeakPolarHBondContact O-CG2 3.23Å; Q141-V145 PolarHBondContact O-N 3.01Å; A142-V145 PolarHBondContact O-N 2.85Å; V143-V145 PolarHBondContact O-N 2.85Å; V145-A147 VanDerWaalsContact C-N 3.33Å; V145-A147 PolarHBondContact O-N 2.83Å; V145-I148 PolarHBondContact O-N 2.96Å; V145-I149 HydrophobicContact CG1-CD1 3.72Å; V145-I149 HydrophobicContact CG1-CG1 4.36Å; V145-I149 WeakPolarHBondContact O-CB 3.17Å; V145-I149 VanDerWaalsContact O-CG1 3.27Å; V145-I149 WeakPolarHBondContact O-CG1 3.45Å; V145-I149 PolarHBondContact O-N 3.18Å
146I97.1Very high95.4Very high30 Ų3064.2 Ų64.215%0.15436%0.362CS..Hα-helixtrans-59-45.1176.5-71.2164.7000110.9L64 F65 F113 A142 V143 I149 C150L64-I146 HydrophobicContact CB-CD1 4.45Å; F65-I146 HydrophobicContact CD1-CD1 4.02Å; F65-I146 HydrophobicContact CD1-CG1 3.75Å; F65-I146 HydrophobicContact CE1-CD1 4.29Å; F65-I146 HydrophobicContact CE1-CG1 3.8Å; F113-I146 HydrophobicContact CE2-CG2 4.02Å; F113-I146 HydrophobicContact CZ-CG2 3.9Å; A142-I146 WeakPolarHBondContact O-CG1 3.4Å; A142-I146 PolarHBondContact O-N 3.37Å; V143-I146 PolarHBondContact O-N 2.92Å; I146-I149 PolarHBondContact O-N 3.22Å; I146-C150 WeakPolarHBondContact O-CB 3.26Å; I146-C150 PolarHBondContact O-N 3.01Å
147A97.5Very high95.8Very high57 Ų5760.1 Ų60.147%0.47134%0.335SS..Hα-helixtrans-63.5-43178.300000112.1V143 G144 V145 C150 A151V143-A147 PolarHBondContact O-N 2.9Å; G144-A147 PolarHBondContact O-N 3.42Å; V145-A147 VanDerWaalsContact C-N 3.33Å; V145-A147 PolarHBondContact O-N 2.83Å; A147-C150 PolarHBondContact O-N 3.33Å; A147-A151 WeakPolarHBondContact O-CB 3.45Å; A147-A151 PolarHBondContact O-N 2.85Å
148I97.9Very high96Very high119 Ų11959.3 Ų59.361%0.6133%0.334SS*.Hα-helixtrans-61.7-45.4176-70164.3000110.7G144 V145 C150 A151 F152G144-I148 VanDerWaalsContact O-CG1 3.27Å; G144-I148 WeakPolarHBondContact O-CG1 3.36Å; G144-I148 PolarHBondContact O-N 3.46Å; V145-I148 PolarHBondContact O-N 2.96Å; I148-C150 VanDerWaalsContact C-N 3.32Å; I148-C150 PolarHBondContact O-N 2.95Å; I148-A151 PolarHBondContact O-N 3.07Å; I148-F152 VanDerWaalsContact O-CB 3.29Å; I148-F152 WeakPolarHBondContact O-CB 3.25Å; I148-F152 PolarHBondContact O-N 2.93Å
149I97.7Very high96Very high18 Ų1857.9 Ų57.99%0.09233%0.326CS..Hα-helixtrans-59.9-44.8177.6-71.4168.2000110.6F113 F116 A120 V145 I146 F152 A153F113-I149 HydrophobicContact CD2-CB 4.45Å; F113-I149 HydrophobicContact CD2-CG2 3.66Å; F113-I149 HydrophobicContact CE2-CB 4.44Å; F113-I149 HydrophobicContact CE2-CG2 4.02Å; F113-I149 HydrophobicContact CG-CG2 4.35Å; F116-I149 HydrophobicContact CB-CB 4.49Å; F116-I149 HydrophobicContact CB-CD1 4.49Å; F116-I149 HydrophobicContact CB-CG1 4.26Å; F116-I149 HydrophobicContact CB-CG2 3.51Å; F116-I149 HydrophobicContact CD2-CG2 4.28Å; F116-I149 HydrophobicContact CG-CG2 4.41Å; A120-I149 HydrophobicContact CB-CD1 3.91Å; V145-I149 HydrophobicContact CG1-CD1 3.72Å; V145-I149 HydrophobicContact CG1-CG1 4.36Å; V145-I149 WeakPolarHBondContact O-CB 3.17Å; V145-I149 VanDerWaalsContact O-CG1 3.27Å; V145-I149 WeakPolarHBondContact O-CG1 3.45Å; V145-I149 PolarHBondContact O-N 3.18Å; I146-I149 PolarHBondContact O-N 3.22Å; I149-F152 PolarHBondContact O-N 2.75Å; I149-A153 VanDerWaalsContact O-CB 3.25Å; I149-A153 WeakPolarHBondContact O-CB 3.37Å; I149-A153 PolarHBondContact O-N 3.45Å
150C97.5Very high96Very high57 Ų5755.3 Ų55.339%0.38532%0.315SS..Hα-helixtrans-61.6-48.1177.6-172.20000111.9F113 I146 A147 I148 F152 A153 A154F113-C150 HydrophobicContact CD2-CB 3.97Å; F113-C150 HydrophobicContact CE2-CB 4.01Å; I146-C150 WeakPolarHBondContact O-CB 3.26Å; I146-C150 PolarHBondContact O-N 3.01Å; A147-C150 PolarHBondContact O-N 3.33Å; I148-C150 VanDerWaalsContact C-N 3.32Å; I148-C150 PolarHBondContact O-N 2.95Å; C150-F152 VanDerWaalsContact C-N 3.35Å; C150-F152 PolarHBondContact O-N 2.97Å; C150-A153 PolarHBondContact O-N 2.96Å; C150-A154 WeakPolarHBondContact O-CB 3.3Å; C150-A154 PolarHBondContact O-N 3.39Å
151A97.8Very high96Very high56 Ų5647.7 Ų47.746%0.46329%0.287SS..Hα-helixtrans-62.1-41.717800000112.3A147 I148 A154 T155A147-A151 WeakPolarHBondContact O-CB 3.45Å; A147-A151 PolarHBondContact O-N 2.85Å; I148-A151 PolarHBondContact O-N 3.07Å; A151-A154 PolarHBondContact O-N 3.12Å; A151-T155 WeakPolarHBondContact O-CB 3.17Å; A151-T155 PolarHBondContact O-N 2.82Å; A151-T155 PolarHBondContact O-OG1 3.14Å
152F97.3Very high95.8Very high101 Ų10149.7 Ų49.744%0.44330%0.295SS..Hα-helixtrans-66.3-44.4177.4-171.2-117.5000111.9F116 I148 I149 C150 A154 T155 I156F116-F152 HydrophobicContact CD2-CD1 4.11Å; F116-F152 AromaticContact CE2-CD1 3.59Å; F116-F152 HydrophobicContact CE2-CD1 3.59Å; F116-F152 AromaticContact CE2-CE1 3.91Å; F116-F152 HydrophobicContact CE2-CE1 3.91Å; F116-F152 HydrophobicContact CZ-CD1 4.03Å; F116-F152 AromaticContact CZ-CE1 3.85Å; F116-F152 HydrophobicContact CZ-CE1 3.85Å; I148-F152 VanDerWaalsContact O-CB 3.29Å; I148-F152 WeakPolarHBondContact O-CB 3.25Å; I148-F152 PolarHBondContact O-N 2.93Å; I149-F152 PolarHBondContact O-N 2.75Å; C150-F152 VanDerWaalsContact C-N 3.35Å; C150-F152 PolarHBondContact O-N 2.97Å; F152-A154 PolarHBondContact O-N 3.32Å; F152-T155 PolarHBondContact O-N 3.47Å; F152-I156 HydrophobicContact CD1-CD1 3.7Å; F152-I156 HydrophobicContact CD2-CD1 4.28Å; F152-I156 HydrophobicContact CE1-CD1 3.28Å; F152-I156 HydrophobicContact CE1-CG1 4.47Å; F152-I156 HydrophobicContact CE2-CD1 3.92Å; F152-I156 HydrophobicContact CE2-CG1 4.37Å; F152-I156 HydrophobicContact CG-CD1 4.19Å; F152-I156 HydrophobicContact CZ-CD1 3.42Å; F152-I156 VanDerWaalsContact CZ-CD1 3.42Å; F152-I156 HydrophobicContact CZ-CG1 4.31Å; F152-I156 WeakPolarHBondContact O-CG1 3.3Å; F152-I156 PolarHBondContact O-N 2.88Å
153A97Very high95.8Very high0 Ų052.4 Ų52.40%031%0.307CS..Hα-helixtrans-59-44.5174.100000112.2I109 C112 F113 I149 C150 T155 T157I109-A153 HydrophobicContact CG2-CB 4.32Å; C112-A153 HydrophobicContact CB-CB 3.48Å; C112-A153 VanDerWaalsContact CB-CB 3.48Å; F113-A153 HydrophobicContact CB-CB 4.43Å; I149-A153 VanDerWaalsContact O-CB 3.25Å; I149-A153 WeakPolarHBondContact O-CB 3.37Å; I149-A153 PolarHBondContact O-N 3.45Å; C150-A153 PolarHBondContact O-N 2.96Å; A153-T155 VanDerWaalsContact C-N 3.35Å; A153-T157 WeakPolarHBondContact O-CB 3.18Å; A153-T157 PolarHBondContact O-N 3.19Å; A153-T157 PolarHBondContact O-OG1 2.94Å
154A96.9Very high95.6Very high27 Ų2749.3 Ų49.322%0.22329%0.287CS..Hα-helixtrans-61.7-42.1174.300000112.2F105 I109 C150 A151 F152 T157 S158F105-A154 WeakPolarHBondContact CE2-O 3.25Å; F105-A154 HydrophobicContact CZ-CB 4.27Å; I109-A154 HydrophobicContact CD1-CB 3.97Å; I109-A154 HydrophobicContact CG1-CB 4.17Å; C150-A154 WeakPolarHBondContact O-CB 3.3Å; C150-A154 PolarHBondContact O-N 3.39Å; A151-A154 PolarHBondContact O-N 3.12Å; F152-A154 PolarHBondContact O-N 3.32Å; A154-T157 PolarHBondContact O-N 2.98Å; A154-S158 WeakPolarHBondContact O-CB 3.21Å; A154-S158 PolarHBondContact O-N 3.45Å
155T96.3Very high95.4Very high92 Ų9252.8 Ų52.856%0.56429%0.293SS*.Hα-helixtrans-62.8-50179.7-580000111.1A151 F152 A153 T157 S158A151-T155 WeakPolarHBondContact O-CB 3.17Å; A151-T155 PolarHBondContact O-N 2.82Å; A151-T155 PolarHBondContact O-OG1 3.14Å; F152-T155 PolarHBondContact O-N 3.47Å; A153-T155 VanDerWaalsContact C-N 3.35Å; T155-T157 VanDerWaalsContact C-N 3.31Å; T155-T157 PolarHBondContact O-N 3.36Å; T155-S158 WeakPolarHBondContact O-CB 3.49Å; T155-S158 PolarHBondContact O-N 3.37Å; T155-S158 PolarHBondContact O-OG 3.42Å
156I94.9Very high95.3Very high24 Ų2452.2 Ų52.212%0.12329%0.288CS..Hα-helixtrans-64.8-36-179.4-66.8170.4000111.6F116 F152 P159 Y191 L195 L198F116-I156 HydrophobicContact CE2-CD1 4.28Å; F116-I156 HydrophobicContact CZ-CD1 4.22Å; F152-I156 HydrophobicContact CD1-CD1 3.7Å; F152-I156 HydrophobicContact CD2-CD1 4.28Å; F152-I156 HydrophobicContact CE1-CD1 3.28Å; F152-I156 HydrophobicContact CE1-CG1 4.47Å; F152-I156 HydrophobicContact CE2-CD1 3.92Å; F152-I156 HydrophobicContact CE2-CG1 4.37Å; F152-I156 HydrophobicContact CG-CD1 4.19Å; F152-I156 HydrophobicContact CZ-CD1 3.42Å; F152-I156 VanDerWaalsContact CZ-CD1 3.42Å; F152-I156 HydrophobicContact CZ-CG1 4.31Å; F152-I156 WeakPolarHBondContact O-CG1 3.3Å; F152-I156 PolarHBondContact O-N 2.88Å; I156-P159 VanDerWaalsContact O-CD 3.31Å; I156-P159 WeakPolarHBondContact O-CD 3.32Å; I156-Y191 WeakPolarHBondContact O-CE2 3.31Å; I156-Y191 PolarHBondContact O-OH 3.23Å; I156-L195 HydrophobicContact CG2-CD2 3.41Å; I156-L195 VanDerWaalsContact CG2-CD2 3.41Å; I156-L198 HydrophobicContact CD1-CD1 4.06Å; I156-L198 HydrophobicContact CG1-CD1 4.46Å; I156-L198 HydrophobicContact CG2-CD1 4.34Å
157T94.9Very high94.9Very high1 Ų152.3 Ų52.31%0.00630%0.297CS..Hα-helixtrans-83.2-17.4-178.2-45.30000112.8F105 A153 A154 T155 P159 I160 Y191F105-T157 HydrophobicContact CD2-CG2 3.92Å; F105-T157 WeakPolarHBondContact O-CG2 3.47Å; A153-T157 WeakPolarHBondContact O-CB 3.18Å; A153-T157 PolarHBondContact O-N 3.19Å; A153-T157 PolarHBondContact O-OG1 2.94Å; A154-T157 PolarHBondContact O-N 2.98Å; T155-T157 VanDerWaalsContact C-N 3.31Å; T155-T157 PolarHBondContact O-N 3.36Å; T157-P159 VanDerWaalsContact C-N 3.33Å; T157-P159 WeakPolarHBondContact O-CD 3.45Å; T157-P159 VanDerWaalsContact O-N 3.12Å; T157-I160 HydrophobicContact CG2-CD1 4.16Å; T157-I160 WeakPolarHBondContact O-CB 3.45Å; T157-I160 PolarHBondContact O-N 2.96Å; T157-I160 VanDerWaalsContact O-N 3.12Å; T157-Y191 WeakPolarHBondContact CA-OH 3.43Å; T157-Y191 PolarHBondContact O-OH 3.06Å
158S94.5Very high94.6Very high36 Ų3656.3 Ų56.325%0.25231%0.305SS..Hα-helixtrans-52.9-34.7-173.767.60000116A154 T155 I160 M161 F162A154-S158 WeakPolarHBondContact O-CB 3.21Å; A154-S158 PolarHBondContact O-N 3.45Å; T155-S158 WeakPolarHBondContact O-CB 3.49Å; T155-S158 PolarHBondContact O-N 3.37Å; T155-S158 PolarHBondContact O-OG 3.42Å; S158-I160 VanDerWaalsContact C-N 3.25Å; S158-I160 PolarHBondContact O-N 3.15Å; S158-M161 WeakPolarHBondContact O-CB 3.39Å; S158-M161 PolarHBondContact O-N 3.38Å; S158-M161 VanDerWaalsContact O-N 3.1Å; S158-F162 WeakPolarHBondContact O-CD2 3.38Å
159P93.8Very high94Very high40 Ų4055.7 Ų55.726%0.2630%0.299SS..Hα-helixtrans-57.8-36.1178.7-27.338.7000113.5I156 T157 M161 F162 K163 W181 Y191I156-P159 VanDerWaalsContact O-CD 3.31Å; I156-P159 WeakPolarHBondContact O-CD 3.32Å; T157-P159 VanDerWaalsContact C-N 3.33Å; T157-P159 WeakPolarHBondContact O-CD 3.45Å; T157-P159 VanDerWaalsContact O-N 3.12Å; P159-M161 VanDerWaalsContact C-N 3.28Å; P159-M161 PolarHBondContact O-N 3.11Å; P159-F162 PolarHBondContact O-N 3.36Å; P159-F162 VanDerWaalsContact O-N 3.16Å; P159-K163 WeakPolarHBondContact O-CB 3.04Å; P159-K163 WeakPolarHBondContact O-CG 3.05Å; P159-K163 PolarHBondContact O-N 2.89Å; P159-W181 HydrophobicContact CB-CH2 3.99Å; P159-Y191 HydrophobicContact CB-CD2 4.33Å; P159-Y191 HydrophobicContact CB-CE2 3.9Å; P159-Y191 HydrophobicContact CG-CD2 4.25Å; P159-Y191 HydrophobicContact CG-CE2 3.66Å
160I91.7Very high93.1Very high25 Ų2564.3 Ų64.313%0.12834%0.338CS..Hα-helixtrans-55.9-44.5177.2-76.6170.6000111P104 T157 S158 F162 K163 Q164 Y191 L195P104-I160 HydrophobicContact CB-CG2 3.69Å; P104-I160 HydrophobicContact CG-CG2 3.87Å; T157-I160 HydrophobicContact CG2-CD1 4.16Å; T157-I160 WeakPolarHBondContact O-CB 3.45Å; T157-I160 PolarHBondContact O-N 2.96Å; T157-I160 VanDerWaalsContact O-N 3.12Å; S158-I160 VanDerWaalsContact C-N 3.25Å; S158-I160 PolarHBondContact O-N 3.15Å; I160-F162 VanDerWaalsContact C-N 3.26Å; I160-F162 PolarHBondContact O-N 3.36Å; I160-K163 PolarHBondContact O-N 3.35Å; I160-Q164 WeakPolarHBondContact O-CB 3.39Å; I160-Q164 PolarHBondContact O-N 3Å; I160-Y191 HydrophobicContact CD1-CE1 3.86Å; I160-Y191 HydrophobicContact CG1-CE1 3.59Å; I160-L195 HydrophobicContact CD1-CD1 4.37Å
161M93.4Very high92.5Very high48 Ų4866.8 Ų66.824%0.23635%0.348CS..Hα-helixtrans-59.9-37.8-178.2-169.9-177.367.200112.2R101 F105 S158 P159R101-M161 HydrophobicContact CB-CG 4.11Å; R101-M161 WeakPolarHBondContact CD-O 3.24Å; R101-M161 WeakPolarHBondContact CG-O 3.38Å; F105-M161 HydrophobicContact CB-CB 3.99Å; F105-M161 HydrophobicContact CB-CG 4.35Å; F105-M161 HydrophobicContact CD1-SD 3.96Å; F105-M161 HydrophobicContact CD2-CB 4.14Å; F105-M161 HydrophobicContact CE1-SD 4.13Å; F105-M161 HydrophobicContact CG-CB 4Å; F105-M161 HydrophobicContact CG-CG 4.37Å; F105-M161 HydrophobicContact CG-SD 4.32Å; S158-M161 WeakPolarHBondContact O-CB 3.39Å; S158-M161 PolarHBondContact O-N 3.38Å; S158-M161 VanDerWaalsContact O-N 3.1Å; P159-M161 VanDerWaalsContact C-N 3.28Å; P159-M161 PolarHBondContact O-N 3.11Å
162F92.3Very high92Very high146 Ų14667.1 Ų67.164%0.6434%0.339SS*.Hα-helixtrans-85-27.6-178.6-62.3-69.7000113.3S158 P159 I160S158-F162 WeakPolarHBondContact O-CD2 3.38Å; P159-F162 PolarHBondContact O-N 3.36Å; P159-F162 VanDerWaalsContact O-N 3.16Å; I160-F162 VanDerWaalsContact C-N 3.26Å; I160-F162 PolarHBondContact O-N 3.36Å
163K92.6Very high91.5Very high58 Ų5864 Ų6425%0.25233%0.329SS..Hα-helixtrans-84.6-19.7-179.5-66.1-67.9-173.8170.20112.5P159 I160 N180 W181P159-K163 WeakPolarHBondContact O-CB 3.04Å; P159-K163 WeakPolarHBondContact O-CG 3.05Å; P159-K163 PolarHBondContact O-N 2.89Å; I160-K163 PolarHBondContact O-N 3.35Å; K163-N180 VanDerWaalsContact CD-O 3.3Å; K163-N180 WeakPolarHBondContact CD-O 3.33Å; K163-N180 PolarHBondContact O-N 3.29Å; K163-W181 HydrophobicContact CB-CD2 4.25Å; K163-W181 HydrophobicContact CB-CZ2 4.14Å; K163-W181 HydrophobicContact CD-CD2 4.03Å; K163-W181 HydrophobicContact CD-CE3 3.88Å; K163-W181 HydrophobicContact CD-CG 4.47Å; K163-W181 HydrophobicContact CD-CZ3 4.29Å; K163-W181 HydrophobicContact CG-CD2 3.9Å; K163-W181 HydrophobicContact CG-CE3 3.85Å; K163-W181 HydrophobicContact CG-CH2 3.93Å; K163-W181 HydrophobicContact CG-CZ2 3.97Å; K163-W181 HydrophobicContact CG-CZ3 3.88Å
164Q93.2Very high91.1Very high19 Ų1965.5 Ų65.59%0.08935%0.345CS..EExtended strand (participates in β ladder)trans-77.2127.1177.5-160.673.9-28.100112.3C100 R101 P104 I160 C177 T178 E179C100-Q164 VanDerWaalsContact O-CG 3.26Å; C100-Q164 WeakPolarHBondContact O-CG 3.15Å; R101-Q164 HydrophobicContact CG-CB 4.45Å; R101-Q164 WeakPolarHBondContact CG-O 3.45Å; R101-Q164 PolarHBondContact NE-O 3.3Å; P104-Q164 HydrophobicContact CG-CG 4.31Å; I160-Q164 WeakPolarHBondContact O-CB 3.39Å; I160-Q164 PolarHBondContact O-N 3Å; Q164-C177 VanDerWaalsContact CD-SG 3.59Å; Q164-C177 WeakPolarHBondContact CG-SG 3.47Å; Q164-C177 PolarHBondContact NE2-SG 3.38Å; Q164-T178 PolarHBondContact OE1-O 3.46Å; Q164-E179 VanDerWaalsContact OE1-CA 3.29Å; Q164-E179 VanDerWaalsContact OE1-N 3.1Å
165K92.3Very high90.8Very high102 Ų10267.8 Ų67.844%0.44335%0.351SS..EExtended strand (participates in β ladder)trans-129.4141.1179.3-68-169.8179.1179.40111.3C177 T178 N180K165-C177 WeakPolarHBondContact O-CA 3.49Å; K165-T178 PolarHBondContact N-O 3.36Å; K165-T178 PolarHBondContact O-N 2.91Å; K165-N180 HydrophobicContact CD-CB 4.01Å; K165-N180 HydrophobicContact CG-CB 4.3Å
166L93.9Very high90.6Very high41 Ų4164.4 Ų64.422%0.21533%0.328CS..EExtended strand (participates in β ladder)trans-85.5131.1166.8-168.670.3000108W93 E97 C100 Q175 Y176W93-L166 HydrophobicContact CB-CD1 4.12Å; W93-L166 VanDerWaalsContact CD1-CD1 3.44Å; W93-L166 HydrophobicContact CG-CD1 3.95Å; E97-L166 HydrophobicContact CB-CB 4.37Å; E97-L166 HydrophobicContact CB-CD2 3.94Å; E97-L166 HydrophobicContact CG-CB 4.2Å; C100-L166 HydrophobicContact CB-CD1 4.49Å; L166-Q175 HydrophobicContact CD1-CB 3.82Å; L166-Q175 HydrophobicContact CG-CB 4.21Å; L166-Y176 CarbonylContact C-O 3.58Å; L166-Y176 WeakPolarHBondContact CA-O 3.3Å
167G90.5Very high90.5Very high32 Ų3264.4 Ų64.433%0.3333%0.33SS..EExtended strand (participates in β ladder)trans-151.9168.2178.200000112Y176G167-Y176 PolarHBondContact N-O 2.9Å; G167-Y176 PolarHBondContact O-N 2.94Å
168E89.5Confident90.3Very high140 Ų14067.3 Ų67.365%0.65435%0.348SS*.  trans-115.6144.6176.3-66.9174.3-170.700108.2Q175E168-Q175 HydrophobicContact CG-CG 4.07Å; E168-Q175 PolarHBondContact OE1-NE2 2.94Å
169F85.8Confident90Very high107 Ų10769.7 Ų69.747%0.46936%0.355SS..  trans-102.7131.3174.6-67.7-66.9000108.7N171 F172 Y176 T178F169-N171 PolarHBondContact O-N 3.23Å; F169-F172 HydrophobicContact CB-CB 4.35Å; F169-F172 HydrophobicContact CB-CD2 4.02Å; F169-F172 PolarHBondContact O-N 3.4Å; F169-Y176 HydrophobicContact CD2-CD1 4.12Å; F169-Y176 AromaticContact CD2-CD2 3.29Å; F169-Y176 HydrophobicContact CD2-CD2 3.29Å; F169-Y176 HydrophobicContact CD2-CE1 4.42Å; F169-Y176 AromaticContact CD2-CE2 3.67Å; F169-Y176 HydrophobicContact CD2-CE2 3.67Å; F169-Y176 AromaticContact CD2-CG 3.54Å; F169-Y176 HydrophobicContact CD2-CG 3.54Å; F169-Y176 AromaticContact CE2-CD1 3.98Å; F169-Y176 HydrophobicContact CE2-CD1 3.98Å; F169-Y176 AromaticContact CE2-CD2 3.77Å; F169-Y176 HydrophobicContact CE2-CD2 3.77Å; F169-Y176 HydrophobicContact CE2-CE2 4.46Å; F169-Y176 AromaticContact CE2-CG 3.48Å; F169-Y176 HydrophobicContact CE2-CG 3.48Å; F169-Y176 VanDerWaalsContact CE2-CG 3.48Å; F169-Y176 HydrophobicContact CG-CD2 4.31Å; F169-T178 HydrophobicContact CE2-CG2 4.47Å; F169-T178 HydrophobicContact CZ-CG2 4.22Å
170E79.9Confident89.8Confident199 Ų19971.2 Ų71.293%0.9336%0.361SS*.THydrogen-bonded Turntrans-51.6-29.7-169.4-69.7-176.3159.800114.9
171N84.5Confident89.5Confident109 Ų10970.9 Ų70.958%0.58336%0.358SS*.THydrogen-bonded Turntrans-102.9-7.9-177.1-63.7-35.3000114.5L7 F169L7-N171 VanDerWaalsContact CB-O 3.27Å; L7-N171 WeakPolarHBondContact CB-O 3.39Å; L7-N171 PolarHBondContact N-O 3.4Å; F169-N171 PolarHBondContact O-N 3.23Å
172F85.9Confident89Confident62 Ų6270.6 Ų70.627%0.27237%0.367SS..BIsolated β-bridgetrans-117.2140.2-171.8-66.2-80000112.6L7 L9 E12 F169 Y176L7-F172 HydrophobicContact CB-CD1 4.1Å; L7-F172 HydrophobicContact CB-CE1 4.36Å; L7-F172 WeakPolarHBondContact O-CA 3.33Å; L9-F172 HydrophobicContact CB-CD1 3.95Å; L9-F172 HydrophobicContact CB-CE1 4.35Å; L9-F172 HydrophobicContact CD1-CD1 3.9Å; L9-F172 HydrophobicContact CD1-CE1 3.54Å; L9-F172 HydrophobicContact CD1-CZ 4.01Å; E12-F172 HydrophobicContact CB-CE1 4.23Å; E12-F172 HydrophobicContact CG-CE1 4Å; F169-F172 HydrophobicContact CB-CB 4.35Å; F169-F172 HydrophobicContact CB-CD2 4.02Å; F169-F172 PolarHBondContact O-N 3.4Å; F172-Y176 HydrophobicContact CB-CE2 4.07Å; F172-Y176 VanDerWaalsContact CB-OH 3.31Å; F172-Y176 WeakPolarHBondContact CB-OH 3.47Å
173C87.8Confident88.2Confident36 Ų3668.6 Ų68.624%0.24338%0.378CS..SBendtrans-71.6136.7175.8-54.10000111.2C6 L7 Y176C6-C173 HydrophobicContact CB-CB 3.99Å; C6-C173 WeakPolarHBondContact CB-SG 3.42Å; C6-C173 PolarHBondContact O-SG 3.35Å; C6-C173 WeakPolarHBondContact SG-CA 3.36Å; C6-C173 WeakPolarHBondContact SG-CB 3.37Å; C6-C173 CovalentContact SG-SG 2.03Å; C6-C173 PolarHBondContact SG-SG 3.26Å; L7-C173 PolarHBondContact O-N 2.69Å; C173-Y176 PolarHBondContact O-OH 3.41Å
174G87.9Confident87.4Confident32 Ų3271.1 Ų71.133%0.3339%0.394SS..SBendtrans99.1179.8170.600000113.8Y176G174-Y176 WeakPolarHBondContact O-CE2 3.26Å
175Q91.6Very high86.7Confident75 Ų7574.3 Ų74.335%0.3541%0.409SS..  trans-104.6149-178.2-56-170.7-5300110.1W93 L166 E168W93-Q175 WeakPolarHBondContact CB-O 3.15Å; W93-Q175 PolarHBondContact N-O 3.3Å; L166-Q175 HydrophobicContact CD1-CB 3.82Å; L166-Q175 HydrophobicContact CG-CB 4.21Å; E168-Q175 HydrophobicContact CG-CG 4.07Å; E168-Q175 PolarHBondContact OE1-NE2 2.94Å
176Y91.6Very high86.4Confident21 Ų2172.9 Ų72.98%0.08241%0.411CS..EExtended strand (participates in β ladder)trans-128.1135-175.2-62.5-90000109.8L9 K91 L166 G167 F169 F172 C173 G174L9-Y176 HydrophobicContact CD2-CE1 3.61Å; K91-Y176 WeakPolarHBondContact O-CE1 3.37Å; L166-Y176 CarbonylContact C-O 3.58Å; L166-Y176 WeakPolarHBondContact CA-O 3.3Å; G167-Y176 PolarHBondContact N-O 2.9Å; G167-Y176 PolarHBondContact O-N 2.94Å; F169-Y176 HydrophobicContact CD2-CD1 4.12Å; F169-Y176 AromaticContact CD2-CD2 3.29Å; F169-Y176 HydrophobicContact CD2-CD2 3.29Å; F169-Y176 HydrophobicContact CD2-CE1 4.42Å; F169-Y176 AromaticContact CD2-CE2 3.67Å; F169-Y176 HydrophobicContact CD2-CE2 3.67Å; F169-Y176 AromaticContact CD2-CG 3.54Å; F169-Y176 HydrophobicContact CD2-CG 3.54Å; F169-Y176 AromaticContact CE2-CD1 3.98Å; F169-Y176 HydrophobicContact CE2-CD1 3.98Å; F169-Y176 AromaticContact CE2-CD2 3.77Å; F169-Y176 HydrophobicContact CE2-CD2 3.77Å; F169-Y176 HydrophobicContact CE2-CE2 4.46Å; F169-Y176 AromaticContact CE2-CG 3.48Å; F169-Y176 HydrophobicContact CE2-CG 3.48Å; F169-Y176 VanDerWaalsContact CE2-CG 3.48Å; F169-Y176 HydrophobicContact CG-CD2 4.31Å; F172-Y176 HydrophobicContact CB-CE2 4.07Å; F172-Y176 VanDerWaalsContact CB-OH 3.31Å; F172-Y176 WeakPolarHBondContact CB-OH 3.47Å; C173-Y176 PolarHBondContact O-OH 3.41Å; G174-Y176 WeakPolarHBondContact O-CE2 3.26Å
177C93.1Very high86.1Confident24 Ų2475.4 Ų75.416%0.16242%0.422CS..EExtended strand (participates in β ladder)trans-104.1102.6178.2-174.80000108.5W93 C100 Q164 K165W93-C177 HydrophobicContact CB-CB 3.9Å; W93-C177 HydrophobicContact CD2-CB 3.43Å; W93-C177 VanDerWaalsContact CD2-CB 3.43Å; W93-C177 HydrophobicContact CE3-CB 3.44Å; W93-C177 VanDerWaalsContact CE3-CB 3.44Å; W93-C177 HydrophobicContact CG-CB 3.61Å; W93-C177 HydrophobicContact CZ3-CB 4.2Å; C100-C177 WeakPolarHBondContact CA-SG 3.37Å; C100-C177 HydrophobicContact CB-CB 3.95Å; C100-C177 WeakPolarHBondContact CB-SG 3.5Å; C100-C177 PolarHBondContact O-SG 3.14Å; C100-C177 VanDerWaalsContact O-SG 3.41Å; C100-C177 VanDerWaalsContact SG-CA 3.57Å; C100-C177 WeakPolarHBondContact SG-CB 3.4Å; C100-C177 CovalentContact SG-SG 2.03Å; C100-C177 PolarHBondContact SG-SG 3.01Å; Q164-C177 VanDerWaalsContact CD-SG 3.59Å; Q164-C177 WeakPolarHBondContact CG-SG 3.47Å; Q164-C177 PolarHBondContact NE2-SG 3.38Å; K165-C177 WeakPolarHBondContact O-CA 3.49Å
178T89.8Confident86Confident62 Ų6275.9 Ų75.938%0.3841%0.414SS..EExtended strand (participates in β ladder)trans-126.1151.4-172.160.70000112.3Q164 K165 F169 N180Q164-T178 PolarHBondContact OE1-O 3.46Å; K165-T178 PolarHBondContact N-O 3.36Å; K165-T178 PolarHBondContact O-N 2.91Å; F169-T178 HydrophobicContact CE2-CG2 4.47Å; F169-T178 HydrophobicContact CZ-CG2 4.22Å; T178-N180 PolarHBondContact O-N 2.9Å
179E89.5Confident85.9Confident86 Ų8671.8 Ų71.840%0.40239%0.394SS..EExtended strand (participates in β ladder)trans-78.3118.3176.4-67.2-177.6-154.500109.7Q164 W181Q164-E179 VanDerWaalsContact OE1-CA 3.29Å; Q164-E179 VanDerWaalsContact OE1-N 3.1Å; E179-W181 PolarHBondContact OE2-NE1 3.48Å
180N88.4Confident86.1Confident72 Ų7271.9 Ų71.939%0.38540%0.399SS..  trans-107.992.7176.2-173.4-12.4000110.4K163 K165 T178 G182K163-N180 VanDerWaalsContact CD-O 3.3Å; K163-N180 WeakPolarHBondContact CD-O 3.33Å; K163-N180 PolarHBondContact O-N 3.29Å; K165-N180 HydrophobicContact CD-CB 4.01Å; K165-N180 HydrophobicContact CG-CB 4.3Å; T178-N180 PolarHBondContact O-N 2.9Å; N180-G182 VanDerWaalsContact C-N 3.3Å; N180-G182 PolarHBondContact OD1-N 3.5Å
181W85.7Confident86.6Confident18 Ų1864 Ų647%0.06836%0.36CS..  trans-88.27.1175.6-66.689.3000113.8P159 K163 E179 Q187 R188 Y191P159-W181 HydrophobicContact CB-CH2 3.99Å; K163-W181 HydrophobicContact CB-CD2 4.25Å; K163-W181 HydrophobicContact CB-CZ2 4.14Å; K163-W181 HydrophobicContact CD-CD2 4.03Å; K163-W181 HydrophobicContact CD-CE3 3.88Å; K163-W181 HydrophobicContact CD-CG 4.47Å; K163-W181 HydrophobicContact CD-CZ3 4.29Å; K163-W181 HydrophobicContact CG-CD2 3.9Å; K163-W181 HydrophobicContact CG-CE3 3.85Å; K163-W181 HydrophobicContact CG-CH2 3.93Å; K163-W181 HydrophobicContact CG-CZ2 3.97Å; K163-W181 HydrophobicContact CG-CZ3 3.88Å; E179-W181 PolarHBondContact OE2-NE1 3.48Å; W181-Q187 HydrophobicContact CE3-CB 3.79Å; W181-Q187 HydrophobicContact CZ3-CB 4.41Å; W181-R188 HydrophobicContact CB-CB 4.22Å; W181-R188 HydrophobicContact CD2-CB 4.02Å; W181-R188 HydrophobicContact CG-CB 3.72Å; W181-R188 HydrophobicContact CG-CG 4.31Å; W181-Y191 AromaticContact CH2-CD1 3.42Å; W181-Y191 HydrophobicContact CH2-CD1 3.42Å; W181-Y191 VanDerWaalsContact CH2-CD1 3.42Å; W181-Y191 HydrophobicContact CH2-CD2 4.19Å; W181-Y191 HydrophobicContact CH2-CE1 4.05Å; W181-Y191 AromaticContact CH2-CG 3.49Å; W181-Y191 HydrophobicContact CH2-CG 3.49Å; W181-Y191 VanDerWaalsContact CH2-CG 3.49Å; W181-Y191 AromaticContact CZ2-CD1 3.54Å; W181-Y191 HydrophobicContact CZ2-CD1 3.54Å; W181-Y191 HydrophobicContact CZ2-CE1 4.07Å; W181-Y191 HydrophobicContact CZ2-CG 4.09Å; W181-Y191 HydrophobicContact CZ3-CG 4.3Å
182G82.7Confident86.9Confident41 Ų4159.7 Ų59.742%0.42334%0.342SS..  trans75.5-170.2-173.100000112.2N180 N184N180-G182 VanDerWaalsContact C-N 3.3Å; N180-G182 PolarHBondContact OD1-N 3.5Å; G182-N184 PolarHBondContact O-N 2.96Å; G182-N184 VanDerWaalsContact O-N 3.14Å
183A75.4Confident87Confident105 Ų10557.9 Ų57.987%0.86834%0.338SS*.SBendtrans-65.3-16.4-177.400000114.2E185A183-E185 PolarHBondContact O-N 3.38Å
184N77.3Confident87.2Confident111 Ų11158.2 Ų58.259%0.59434%0.344SS*.  trans-98.188.3-176.8-72.6-7.6000111.5G182 S186 Q187G182-N184 PolarHBondContact O-N 2.96Å; G182-N184 VanDerWaalsContact O-N 3.14Å; N184-S186 PolarHBondContact O-N 2.85Å; N184-Q187 PolarHBondContact O-N 3.41Å; N184-Q187 VanDerWaalsContact O-N 3.16Å
185E78Confident87.3Confident85 Ų8558.3 Ų58.340%0.39734%0.337SS..THydrogen-bonded Turntrans-54.8-19.9174.4-74.2-63136.200114.3A183 Q187 R188 K189A183-E185 PolarHBondContact O-N 3.38Å; E185-Q187 PolarHBondContact O-N 3.33Å; E185-R188 PolarHBondContact O-N 2.93Å; E185-R188 IonicContact OE2-CZ 3.74Å; E185-R188 VanDerWaalsContact OE2-CZ 3.29Å; E185-R188 IonicContact OE2-NE 2.71Å; E185-R188 PolarHBondContact OE2-NE 3.39Å; E185-R188 IonicContact OE2-NH2 3.8Å; E185-R188 PolarHBondContact OE2-NH2 3.04Å; E185-K189 PolarHBondContact O-N 3.42Å
186S85.9Confident87.1Confident72 Ų7257.7 Ų57.750%0.50333%0.334SS..Hα-helixtrans-57.1-35.6176.2-173.20000112.8N184 R188 K189 I190N184-S186 PolarHBondContact O-N 2.85Å; S186-R188 PolarHBondContact O-N 2.74Å; S186-K189 PolarHBondContact O-N 3.22Å; S186-I190 WeakPolarHBondContact O-CB 3.49Å; S186-I190 VanDerWaalsContact O-CG1 3.23Å; S186-I190 WeakPolarHBondContact O-CG1 3.44Å; S186-I190 PolarHBondContact O-N 3.33Å; S186-I190 WeakPolarHBondContact OG-CD1 3.13Å
187Q87.8Confident87.1Confident94 Ų9462.3 Ų62.344%0.43936%0.355SS..Hα-helixtrans-63.9-42.6179.8-66.2-172.3-9.600112.1W181 N184 E185 Y191W181-Q187 HydrophobicContact CE3-CB 3.79Å; W181-Q187 HydrophobicContact CZ3-CB 4.41Å; N184-Q187 PolarHBondContact O-N 3.41Å; N184-Q187 VanDerWaalsContact O-N 3.16Å; E185-Q187 PolarHBondContact O-N 3.33Å; Q187-Y191 VanDerWaalsContact O-CB 3.23Å; Q187-Y191 WeakPolarHBondContact O-CB 3.32Å; Q187-Y191 PolarHBondContact O-N 2.8Å
188R87.1Confident87Confident42 Ų4264.1 Ų64.116%0.15836%0.363CS..Hα-helixtrans-61.2-48.8176.5-175.6175.262.3109.7-2.6110.9W181 E185 S186 Y191 G192 D279W181-R188 HydrophobicContact CB-CB 4.22Å; W181-R188 HydrophobicContact CD2-CB 4.02Å; W181-R188 HydrophobicContact CG-CB 3.72Å; W181-R188 HydrophobicContact CG-CG 4.31Å; E185-R188 PolarHBondContact O-N 2.93Å; E185-R188 IonicContact OE2-CZ 3.74Å; E185-R188 VanDerWaalsContact OE2-CZ 3.29Å; E185-R188 IonicContact OE2-NE 2.71Å; E185-R188 PolarHBondContact OE2-NE 3.39Å; E185-R188 IonicContact OE2-NH2 3.8Å; E185-R188 PolarHBondContact OE2-NH2 3.04Å; S186-R188 PolarHBondContact O-N 2.74Å; R188-Y191 PolarHBondContact O-N 3.09Å; R188-G192 PolarHBondContact O-N 2.95Å; R188-D279 IonicContact CZ-OD1 2.66Å; R188-D279 IonicContact NH1-OD1 3.52Å; R188-D279 PolarHBondContact NH1-OD1 3.33Å
189K88.6Confident86.9Confident55 Ų5561.9 Ų61.924%0.23935%0.348CS..Hα-helixtrans-61.8-47.1179.9-67177.9-179.1-178.80112.1E185 S186 Y191 G192 A193 D279 Y280E185-K189 PolarHBondContact O-N 3.42Å; S186-K189 PolarHBondContact O-N 3.22Å; K189-Y191 VanDerWaalsContact C-N 3.35Å; K189-Y191 PolarHBondContact O-N 3.47Å; K189-G192 PolarHBondContact O-N 3.18Å; K189-A193 WeakPolarHBondContact O-CB 3.37Å; K189-A193 PolarHBondContact O-N 3.5Å; K189-D279 WeakPolarHBondContact CE-O 3.33Å; K189-Y280 HydrophobicContact CB-CE1 4.41Å; K189-Y280 HydrophobicContact CD-CD1 4.38Å; K189-Y280 HydrophobicContact CD-CE1 4.41Å
190I90.6Very high86.6Confident109 Ų10958.8 Ų58.856%0.55933%0.334SS*.Hα-helixtrans-61.6-45.2177.5-69.1166.3000110.5S186 A193 A194S186-I190 WeakPolarHBondContact O-CB 3.49Å; S186-I190 VanDerWaalsContact O-CG1 3.23Å; S186-I190 WeakPolarHBondContact O-CG1 3.44Å; S186-I190 PolarHBondContact O-N 3.33Å; S186-I190 WeakPolarHBondContact OG-CD1 3.13Å; I190-A193 PolarHBondContact O-N 3.19Å; I190-A194 VanDerWaalsContact O-CB 3.29Å; I190-A194 WeakPolarHBondContact O-CB 3.34Å; I190-A194 PolarHBondContact O-N 3.37Å
191Y90.6Very high86.7Confident32 Ų3257.8 Ų57.813%0.12533%0.331CS..Hα-helixtrans-63.7-47179176.9-107.4000112.1I156 T157 P159 I160 W181 Q187 R188 K189 A193 A194 L195I156-Y191 WeakPolarHBondContact O-CE2 3.31Å; I156-Y191 PolarHBondContact O-OH 3.23Å; T157-Y191 WeakPolarHBondContact CA-OH 3.43Å; T157-Y191 PolarHBondContact O-OH 3.06Å; P159-Y191 HydrophobicContact CB-CD2 4.33Å; P159-Y191 HydrophobicContact CB-CE2 3.9Å; P159-Y191 HydrophobicContact CG-CD2 4.25Å; P159-Y191 HydrophobicContact CG-CE2 3.66Å; I160-Y191 HydrophobicContact CD1-CE1 3.86Å; I160-Y191 HydrophobicContact CG1-CE1 3.59Å; W181-Y191 AromaticContact CH2-CD1 3.42Å; W181-Y191 HydrophobicContact CH2-CD1 3.42Å; W181-Y191 VanDerWaalsContact CH2-CD1 3.42Å; W181-Y191 HydrophobicContact CH2-CD2 4.19Å; W181-Y191 HydrophobicContact CH2-CE1 4.05Å; W181-Y191 AromaticContact CH2-CG 3.49Å; W181-Y191 HydrophobicContact CH2-CG 3.49Å; W181-Y191 VanDerWaalsContact CH2-CG 3.49Å; W181-Y191 AromaticContact CZ2-CD1 3.54Å; W181-Y191 HydrophobicContact CZ2-CD1 3.54Å; W181-Y191 HydrophobicContact CZ2-CE1 4.07Å; W181-Y191 HydrophobicContact CZ2-CG 4.09Å; W181-Y191 HydrophobicContact CZ3-CG 4.3Å; Q187-Y191 VanDerWaalsContact O-CB 3.23Å; Q187-Y191 WeakPolarHBondContact O-CB 3.32Å; Q187-Y191 PolarHBondContact O-N 2.8Å; R188-Y191 PolarHBondContact O-N 3.09Å; K189-Y191 VanDerWaalsContact C-N 3.35Å; K189-Y191 PolarHBondContact O-N 3.47Å; Y191-A193 PolarHBondContact O-N 3.07Å; Y191-A194 PolarHBondContact O-N 3.49Å; Y191-L195 HydrophobicContact CD1-CD1 3.9Å; Y191-L195 HydrophobicContact CD1-CG 4.49Å; Y191-L195 HydrophobicContact CE1-CD1 3.23Å; Y191-L195 HydrophobicContact CE1-CG 4Å; Y191-L195 HydrophobicContact CE2-CD1 4.16Å; Y191-L195 HydrophobicContact CE2-CG 4.04Å; Y191-L195 WeakPolarHBondContact O-CB 3.39Å; Y191-L195 PolarHBondContact O-N 3.04Å
192G88.8Confident86.9Confident19 Ų1960.7 Ų60.720%0.19635%0.347CS..Hα-helixtrans-59.8-43.1176.200000112.6R188 K189 L195 M196R188-G192 PolarHBondContact O-N 2.95Å; K189-G192 PolarHBondContact O-N 3.18Å; G192-L195 PolarHBondContact O-N 3.05Å; G192-M196 PolarHBondContact O-N 3.36Å
193A89.4Confident87.3Confident24 Ų2458.9 Ų58.920%0.19833%0.327CS..Hα-helixtrans-64.8-45.8174.900000112.1K189 I190 Y191 L195 M196 F197K189-A193 WeakPolarHBondContact O-CB 3.37Å; K189-A193 PolarHBondContact O-N 3.5Å; I190-A193 PolarHBondContact O-N 3.19Å; Y191-A193 PolarHBondContact O-N 3.07Å; A193-L195 VanDerWaalsContact C-N 3.33Å; A193-L195 PolarHBondContact O-N 2.98Å; A193-M196 WeakPolarHBondContact O-CB 3.24Å; A193-M196 PolarHBondContact O-N 2.97Å; A193-F197 WeakPolarHBondContact O-CD2 3.46Å; A193-F197 PolarHBondContact O-N 3.45Å
194A91.8Very high87.9Confident44 Ų4455.5 Ų55.536%0.36430%0.295SS..Hα-helixtrans-60.4-43.6177.400000111.5I190 Y191 F197 L198I190-A194 VanDerWaalsContact O-CB 3.29Å; I190-A194 WeakPolarHBondContact O-CB 3.34Å; I190-A194 PolarHBondContact O-N 3.37Å; Y191-A194 PolarHBondContact O-N 3.49Å; A194-F197 PolarHBondContact O-N 2.68Å; A194-L198 WeakPolarHBondContact O-CB 3.39Å; A194-L198 VanDerWaalsContact O-CG 3.3Å; A194-L198 WeakPolarHBondContact O-CG 3.43Å; A194-L198 PolarHBondContact O-N 3.5Å
195L90.1Very high88.5Confident34 Ų3453.3 Ų53.318%0.17829%0.286CS..Hα-helixtrans-56.6-50.5172.2-86.4179000111.1I156 I160 Y191 G192 A193 F197 L198 Q199I156-L195 HydrophobicContact CG2-CD2 3.41Å; I156-L195 VanDerWaalsContact CG2-CD2 3.41Å; I160-L195 HydrophobicContact CD1-CD1 4.37Å; Y191-L195 HydrophobicContact CD1-CD1 3.9Å; Y191-L195 HydrophobicContact CD1-CG 4.49Å; Y191-L195 HydrophobicContact CE1-CD1 3.23Å; Y191-L195 HydrophobicContact CE1-CG 4Å; Y191-L195 HydrophobicContact CE2-CD1 4.16Å; Y191-L195 HydrophobicContact CE2-CG 4.04Å; Y191-L195 WeakPolarHBondContact O-CB 3.39Å; Y191-L195 PolarHBondContact O-N 3.04Å; G192-L195 PolarHBondContact O-N 3.05Å; A193-L195 VanDerWaalsContact C-N 3.33Å; A193-L195 PolarHBondContact O-N 2.98Å; L195-F197 VanDerWaalsContact C-N 3.33Å; L195-F197 PolarHBondContact O-N 3Å; L195-L198 PolarHBondContact O-N 2.8Å; L195-Q199 WeakPolarHBondContact O-CA 3.36Å; L195-Q199 WeakPolarHBondContact O-CB 3.37Å; L195-Q199 PolarHBondContact O-N 3.43Å
196M87.3Confident89.2Confident61 Ų6152 Ų5230%0.328%0.281SS..Hα-helixtrans-56.2-46.2178.6-176.5-150.1-176.700112.1G192 A193 L200 V201 V272 I276G192-M196 PolarHBondContact O-N 3.36Å; A193-M196 WeakPolarHBondContact O-CB 3.24Å; A193-M196 PolarHBondContact O-N 2.97Å; M196-L200 WeakPolarHBondContact O-CA 3.22Å; M196-L200 VanDerWaalsContact O-CB 3.23Å; M196-L200 WeakPolarHBondContact O-CB 3.26Å; M196-L200 PolarHBondContact O-N 2.94Å; M196-V201 HydrophobicContact CE-CG2 4.47Å; M196-V201 PolarHBondContact O-N 3.34Å; M196-V272 HydrophobicContact CG-CG1 4.03Å; M196-I276 HydrophobicContact CB-CD1 4.2Å; M196-I276 HydrophobicContact CE-CD1 3.82Å; M196-I276 HydrophobicContact CG-CD1 3.74Å; M196-I276 HydrophobicContact SD-CD1 3.3Å; M196-I276 WeakPolarHBondContact SD-CD1 3.27Å
197F90.9Very high89.4Confident118 Ų11848.8 Ų48.852%0.51826%0.258SS..Iπ-helixtrans-65.6-48.6180-89.2-82.7000112.3A193 A194 L195 Q199 V201 I202A193-F197 WeakPolarHBondContact O-CD2 3.46Å; A193-F197 PolarHBondContact O-N 3.45Å; A194-F197 PolarHBondContact O-N 2.68Å; L195-F197 VanDerWaalsContact C-N 3.33Å; L195-F197 PolarHBondContact O-N 3Å; F197-Q199 VanDerWaalsContact C-N 3.34Å; F197-V201 HydrophobicContact CD1-CB 3.94Å; F197-V201 HydrophobicContact CD1-CG1 4.08Å; F197-V201 HydrophobicContact CD1-CG2 4.07Å; F197-V201 HydrophobicContact CE1-CB 4.46Å; F197-V201 HydrophobicContact CE1-CG1 4.23Å; F197-V201 HydrophobicContact CE1-CG2 4.35Å; F197-V201 HydrophobicContact CG-CG2 4.49Å; F197-V201 PolarHBondContact O-N 2.92Å; F197-I202 PolarHBondContact O-N 3.31Å
198L91.1Very high89.4Confident62 Ų6249 Ų4933%0.32526%0.261SS..Iπ-helixtrans-67-37-178.6-70.9171.8000112F116 I156 A194 L195 I202 P203F116-L198 VanDerWaalsContact CE1-O 3.25Å; F116-L198 WeakPolarHBondContact CE1-O 3.47Å; I156-L198 HydrophobicContact CD1-CD1 4.06Å; I156-L198 HydrophobicContact CG1-CD1 4.46Å; I156-L198 HydrophobicContact CG2-CD1 4.34Å; A194-L198 WeakPolarHBondContact O-CB 3.39Å; A194-L198 VanDerWaalsContact O-CG 3.3Å; A194-L198 WeakPolarHBondContact O-CG 3.43Å; A194-L198 PolarHBondContact O-N 3.5Å; L195-L198 PolarHBondContact O-N 2.8Å; L198-I202 HydrophobicContact CD2-CD1 4.16Å; L198-P203 WeakPolarHBondContact O-CD 3.18Å; L198-P203 VanDerWaalsContact O-CG 3.23Å; L198-P203 WeakPolarHBondContact O-CG 3.41Å
199Q87.6Confident89.5Confident15 Ų1552.6 Ų52.67%0.0728%0.282CS..Iπ-helixtrans-92.8-31.2-172.6173.652.41.900114.1L111 C112 T115 L195 F197 P203L111-Q199 VanDerWaalsContact CD1-NE2 3.3Å; L111-Q199 HydrophobicContact CG-CG 4.16Å; L111-Q199 VanDerWaalsContact CG-NE2 3.3Å; L111-Q199 PolarHBondContact O-NE2 3.37Å; C112-Q199 VanDerWaalsContact CA-OE1 3.22Å; T115-Q199 VanDerWaalsContact CB-NE2 3.25Å; T115-Q199 WeakPolarHBondContact CG2-O 3.38Å; T115-Q199 PolarHBondContact OG1-NE2 3.27Å; L195-Q199 WeakPolarHBondContact O-CA 3.36Å; L195-Q199 WeakPolarHBondContact O-CB 3.37Å; L195-Q199 PolarHBondContact O-N 3.43Å; F197-Q199 VanDerWaalsContact C-N 3.34Å; Q199-P203 WeakPolarHBondContact O-CG 3.28Å
200L84.4Confident89.5Confident22 Ų2250.5 Ų50.512%0.11527%0.274CS..Iπ-helixtrans-114.4-58.9-173.4-169.967.8000111.3M196 L204 V272M196-L200 WeakPolarHBondContact O-CA 3.22Å; M196-L200 VanDerWaalsContact O-CB 3.23Å; M196-L200 WeakPolarHBondContact O-CB 3.26Å; M196-L200 PolarHBondContact O-N 2.94Å; L200-L204 HydrophobicContact CD1-CD1 3.53Å; L200-L204 HydrophobicContact CD1-CG 4.2Å; L200-L204 HydrophobicContact CG-CD1 3.83Å; L200-L204 WeakPolarHBondContact O-CB 3.4Å; L200-L204 WeakPolarHBondContact O-CG 3.19Å; L200-L204 PolarHBondContact O-N 3.32Å; L200-V272 HydrophobicContact CD2-CB 4.47Å; L200-V272 HydrophobicContact CD2-CG1 4.03Å
201V88.9Confident89.3Confident51 Ų5145.8 Ų45.831%0.30925%0.25SC..Iπ-helixtrans-67.9-52.3-169.1-177.60000111.8M196 F197 T205M196-V201 HydrophobicContact CE-CG2 4.47Å; M196-V201 PolarHBondContact O-N 3.34Å; F197-V201 HydrophobicContact CD1-CB 3.94Å; F197-V201 HydrophobicContact CD1-CG1 4.08Å; F197-V201 HydrophobicContact CD1-CG2 4.07Å; F197-V201 HydrophobicContact CE1-CB 4.46Å; F197-V201 HydrophobicContact CE1-CG1 4.23Å; F197-V201 HydrophobicContact CE1-CG2 4.35Å; F197-V201 HydrophobicContact CG-CG2 4.49Å; F197-V201 PolarHBondContact O-N 2.92Å; V201-T205 HydrophobicContact CG1-CG2 4.49Å; V201-T205 WeakPolarHBondContact O-CB 3.5Å; V201-T205 WeakPolarHBondContact O-CG2 3.21Å; V201-T205 PolarHBondContact O-N 3.46Å; V201-T205 PolarHBondContact O-OG1 3.21Å
202I91.4Very high89Confident79 Ų7947.8 Ų47.841%0.40527%0.265SS..Hα-helixtrans-64.1-49.4-178.9-68.9165.7000111.1F197 L198 L204 T205 I206F197-I202 PolarHBondContact O-N 3.31Å; L198-I202 HydrophobicContact CD2-CD1 4.16Å; I202-L204 PolarHBondContact O-N 2.98Å; I202-T205 WeakPolarHBondContact CA-OG1 3.43Å; I202-T205 PolarHBondContact O-N 3.34Å; I202-T205 PolarHBondContact O-OG1 3.45Å; I202-I206 HydrophobicContact CG2-CD1 3.82Å; I202-I206 WeakPolarHBondContact O-CG1 3.36Å; I202-I206 PolarHBondContact O-N 2.91Å; I202-I206 VanDerWaalsContact O-N 3.1Å
203P91.1Very high88.9Confident2 Ų248.2 Ų48.21%0.01327%0.267CS..Hα-helixtrans-59.2-48176.8-33.343.1000113.9T115 F116 T119 L198 Q199 T205 I206 I207T115-P203 HydrophobicContact CG2-CB 3.3Å; T115-P203 HydrophobicContact CG2-CG 3.78Å; F116-P203 HydrophobicContact CD1-CG 4.04Å; F116-P203 HydrophobicContact CE1-CG 3.86Å; T119-P203 WeakPolarHBondContact OG1-CB 3.29Å; L198-P203 WeakPolarHBondContact O-CD 3.18Å; L198-P203 VanDerWaalsContact O-CG 3.23Å; L198-P203 WeakPolarHBondContact O-CG 3.41Å; Q199-P203 WeakPolarHBondContact O-CG 3.28Å; P203-T205 VanDerWaalsContact C-N 3.34Å; P203-T205 PolarHBondContact O-N 2.9Å; P203-I206 PolarHBondContact O-N 3.47Å; P203-I207 WeakPolarHBondContact O-CB 3.48Å; P203-I207 WeakPolarHBondContact O-CD1 3.41Å; P203-I207 WeakPolarHBondContact O-CG1 3.42Å; P203-I207 PolarHBondContact O-N 3.39Å
204L87.7Confident88.6Confident34 Ų3447.2 Ų47.218%0.17826%0.258CS..Hα-helixtrans-63.5-40.1-179.3-73.2179000112L200 I202 I207 I208 V261 A265L200-L204 HydrophobicContact CD1-CD1 3.53Å; L200-L204 HydrophobicContact CD1-CG 4.2Å; L200-L204 HydrophobicContact CG-CD1 3.83Å; L200-L204 WeakPolarHBondContact O-CB 3.4Å; L200-L204 WeakPolarHBondContact O-CG 3.19Å; L200-L204 PolarHBondContact O-N 3.32Å; I202-L204 PolarHBondContact O-N 2.98Å; L204-I207 PolarHBondContact O-N 2.92Å; L204-I208 WeakPolarHBondContact O-CB 3.49Å; L204-I208 WeakPolarHBondContact O-CD1 3.42Å; L204-I208 WeakPolarHBondContact O-CG1 3.49Å; L204-I208 PolarHBondContact O-N 2.79Å; L204-V261 HydrophobicContact CD2-CG1 3.91Å; L204-A265 HydrophobicContact CD1-CB 4.32Å; L204-A265 HydrophobicContact CD2-CB 4.1Å
205T90.3Very high88.1Confident66 Ų6647.6 Ų47.641%0.40526%0.258SS..Hα-helixtrans-63.2-45.8177.151.70000111.6V201 I202 P203 I207 I208 I209V201-T205 HydrophobicContact CG1-CG2 4.49Å; V201-T205 WeakPolarHBondContact O-CB 3.5Å; V201-T205 WeakPolarHBondContact O-CG2 3.21Å; V201-T205 PolarHBondContact O-N 3.46Å; V201-T205 PolarHBondContact O-OG1 3.21Å; I202-T205 WeakPolarHBondContact CA-OG1 3.43Å; I202-T205 PolarHBondContact O-N 3.34Å; I202-T205 PolarHBondContact O-OG1 3.45Å; P203-T205 VanDerWaalsContact C-N 3.34Å; P203-T205 PolarHBondContact O-N 2.9Å; T205-I207 VanDerWaalsContact C-N 3.31Å; T205-I207 PolarHBondContact O-N 2.85Å; T205-I208 PolarHBondContact O-N 3.27Å; T205-I209 WeakPolarHBondContact O-CB 3.25Å; T205-I209 WeakPolarHBondContact O-CD1 3.22Å; T205-I209 VanDerWaalsContact O-CG1 3.22Å; T205-I209 WeakPolarHBondContact O-CG1 3.41Å; T205-I209 PolarHBondContact O-N 3.1Å
206I92.5Very high87.8Confident58 Ų5851.1 Ų51.130%0.29728%0.276SS..Hα-helixtrans-58.7-45.4175.5-67.3167.7000110.9T119 I123 I202 P203 S210T119-I206 HydrophobicContact CG2-CB 4.03Å; T119-I206 HydrophobicContact CG2-CD1 4.16Å; T119-I206 HydrophobicContact CG2-CG2 3.65Å; I123-I206 HydrophobicContact CD1-CG2 4Å; I123-I206 HydrophobicContact CG1-CG2 3.92Å; I202-I206 HydrophobicContact CG2-CD1 3.82Å; I202-I206 WeakPolarHBondContact O-CG1 3.36Å; I202-I206 PolarHBondContact O-N 2.91Å; I202-I206 VanDerWaalsContact O-N 3.1Å; P203-I206 PolarHBondContact O-N 3.47Å; I206-S210 VanDerWaalsContact O-CB 3.25Å; I206-S210 WeakPolarHBondContact O-CB 3.23Å; I206-S210 PolarHBondContact O-N 2.95Å; I206-S210 PolarHBondContact O-OG 3.07Å
207I89.1Confident87.5Confident3 Ų351.3 Ų51.32%0.01528%0.276CS..Hα-helixtrans-63.3-48.4-179.4-72.5166.8000111.2L118 P203 L204 T205 I209 S210 Y211 V261L118-I207 HydrophobicContact CB-CD1 4.26Å; P203-I207 WeakPolarHBondContact O-CB 3.48Å; P203-I207 WeakPolarHBondContact O-CD1 3.41Å; P203-I207 WeakPolarHBondContact O-CG1 3.42Å; P203-I207 PolarHBondContact O-N 3.39Å; L204-I207 PolarHBondContact O-N 2.92Å; T205-I207 VanDerWaalsContact C-N 3.31Å; T205-I207 PolarHBondContact O-N 2.85Å; I207-I209 PolarHBondContact O-N 3.35Å; I207-S210 PolarHBondContact O-N 3.09Å; I207-Y211 HydrophobicContact CG2-CD2 3.56Å; I207-Y211 HydrophobicContact CG2-CE2 3.55Å; I207-Y211 WeakPolarHBondContact O-CD2 3.09Å; I207-Y211 PolarHBondContact O-N 2.82Å; I207-V261 HydrophobicContact CD1-CG2 4.34Å; I207-V261 HydrophobicContact CG2-CB 4.11Å; I207-V261 HydrophobicContact CG2-CG1 3.62Å; I207-V261 HydrophobicContact CG2-CG2 3.51Å
208I87.4Confident86.7Confident100 Ų10046.6 Ų46.651%0.51326%0.256SS..Hα-helixtrans-60.9-46.9179.5-71.1165.2000110.2L204 T205 S210 Y211 T212L204-I208 WeakPolarHBondContact O-CB 3.49Å; L204-I208 WeakPolarHBondContact O-CD1 3.42Å; L204-I208 WeakPolarHBondContact O-CG1 3.49Å; L204-I208 PolarHBondContact O-N 2.79Å; T205-I208 PolarHBondContact O-N 3.27Å; I208-S210 PolarHBondContact O-N 3.25Å; I208-Y211 PolarHBondContact O-N 3.47Å; I208-T212 VanDerWaalsContact O-CB 3.23Å; I208-T212 WeakPolarHBondContact O-CB 3.23Å; I208-T212 PolarHBondContact O-N 3.39Å; I208-T212 PolarHBondContact O-OG1 3.49Å
209I89.7Confident85.8Confident116 Ų11644.7 Ų44.760%0.59525%0.251SS*.Hα-helixtrans-60.8-46.7177.8-68.7167000110.2T205 I207 Y211 T212 A213T205-I209 WeakPolarHBondContact O-CB 3.25Å; T205-I209 WeakPolarHBondContact O-CD1 3.22Å; T205-I209 VanDerWaalsContact O-CG1 3.22Å; T205-I209 WeakPolarHBondContact O-CG1 3.41Å; T205-I209 PolarHBondContact O-N 3.1Å; I207-I209 PolarHBondContact O-N 3.35Å; I209-Y211 PolarHBondContact O-N 3.48Å; I209-T212 PolarHBondContact O-N 3.42Å; I209-A213 VanDerWaalsContact O-CB 3.3Å; I209-A213 WeakPolarHBondContact O-CB 3.35Å; I209-A213 PolarHBondContact O-N 3.42Å
210S89.4Confident85.1Confident11 Ų1149.1 Ų49.18%0.07727%0.272CS..Hα-helixtrans-59.2-50.1-179.8-63.40000111.8I206 I207 I208 A213 I214I206-S210 VanDerWaalsContact O-CB 3.25Å; I206-S210 WeakPolarHBondContact O-CB 3.23Å; I206-S210 PolarHBondContact O-N 2.95Å; I206-S210 PolarHBondContact O-OG 3.07Å; I207-S210 PolarHBondContact O-N 3.09Å; I208-S210 PolarHBondContact O-N 3.25Å; S210-A213 PolarHBondContact O-N 3.13Å; S210-I214 WeakPolarHBondContact O-CD1 3.43Å; S210-I214 VanDerWaalsContact O-CG1 3.22Å; S210-I214 WeakPolarHBondContact O-CG1 3.48Å; S210-I214 PolarHBondContact O-N 2.73Å
211Y85.4Confident84.4Confident11 Ų1150.5 Ų50.54%0.04328%0.283CS..Hα-helixtrans-73.5-31-178.9-71.2-49000113.8S122 I207 I208 I209 I214 S215 N254 L257 I258 V261S122-Y211 WeakPolarHBondContact CA-OH 3.44Å; S122-Y211 WeakPolarHBondContact CB-OH 3.13Å; I207-Y211 HydrophobicContact CG2-CD2 3.56Å; I207-Y211 HydrophobicContact CG2-CE2 3.55Å; I207-Y211 WeakPolarHBondContact O-CD2 3.09Å; I207-Y211 PolarHBondContact O-N 2.82Å; I208-Y211 PolarHBondContact O-N 3.47Å; I209-Y211 PolarHBondContact O-N 3.48Å; Y211-I214 HydrophobicContact CD1-CD1 3.67Å; Y211-I214 HydrophobicContact CE1-CD1 4Å; Y211-I214 PolarHBondContact O-N 3.18Å; Y211-S215 WeakPolarHBondContact O-CB 3.41Å; Y211-S215 PolarHBondContact O-N 3.06Å; Y211-S215 PolarHBondContact O-OG 2.95Å; Y211-N254 WeakPolarHBondContact CD1-OD1 3.33Å; Y211-L257 HydrophobicContact CE1-CB 3.76Å; Y211-L257 HydrophobicContact CE1-CD1 3.92Å; Y211-L257 HydrophobicContact CE1-CG 4.5Å; Y211-L257 HydrophobicContact CE2-CB 4.14Å; Y211-L257 VanDerWaalsContact CZ-CB 3.42Å; Y211-L257 WeakPolarHBondContact OH-CB 3.49Å; Y211-L257 WeakPolarHBondContact OH-CD1 3.39Å; Y211-I258 HydrophobicContact CD1-CG1 4.37Å; Y211-I258 HydrophobicContact CD2-CG1 4.09Å; Y211-I258 HydrophobicContact CG-CG1 3.89Å; Y211-V261 HydrophobicContact CE2-CG2 4.07Å
212T84.6Confident83.3Confident74 Ų7452.5 Ų52.545%0.45429%0.29SS..Hα-helixtrans-63.5-48.3171.1-57.60000109.9I208 I209 I214 S215 L216I208-T212 VanDerWaalsContact O-CB 3.23Å; I208-T212 WeakPolarHBondContact O-CB 3.23Å; I208-T212 PolarHBondContact O-N 3.39Å; I208-T212 PolarHBondContact O-OG1 3.49Å; I209-T212 PolarHBondContact O-N 3.42Å; T212-I214 VanDerWaalsContact C-N 3.35Å; T212-I214 PolarHBondContact O-N 2.94Å; T212-S215 PolarHBondContact O-N 3.34Å; T212-S215 VanDerWaalsContact O-N 3.16Å; T212-L216 HydrophobicContact CG2-CD1 4.24Å; T212-L216 WeakPolarHBondContact O-CG 3.24Å; T212-L216 PolarHBondContact O-N 2.63Å
213A86.5Confident81.9Confident28 Ų2854.6 Ų54.623%0.23130%0.301CS..Hα-helixtrans-63.8-37.8178.300000112.8Y126 I209 S210 K217Y126-A213 HydrophobicContact CD2-CB 4Å; Y126-A213 HydrophobicContact CE2-CB 3.53Å; I209-A213 VanDerWaalsContact O-CB 3.3Å; I209-A213 WeakPolarHBondContact O-CB 3.35Å; I209-A213 PolarHBondContact O-N 3.42Å; S210-A213 PolarHBondContact O-N 3.13Å; A213-K217 WeakPolarHBondContact O-CB 3.32Å; A213-K217 PolarHBondContact O-N 3.07Å
214I83.9Confident80.5Confident2 Ų260.6 Ų60.61%0.0133%0.333CS..Hα-helixtrans-59.8-48.8171.7-71.8161.9000110.5R125 Y126 I129 S210 Y211 T212 L216 K217 I218 N254R125-I214 HydrophobicContact CB-CD1 4.24Å; Y126-I214 HydrophobicContact CD2-CG1 4.17Å; I129-I214 HydrophobicContact CD1-CD1 4.18Å; I129-I214 HydrophobicContact CD1-CG1 4.08Å; I129-I214 HydrophobicContact CD1-CG2 3.64Å; I129-I214 HydrophobicContact CG2-CG2 4.37Å; S210-I214 WeakPolarHBondContact O-CD1 3.43Å; S210-I214 VanDerWaalsContact O-CG1 3.22Å; S210-I214 WeakPolarHBondContact O-CG1 3.48Å; S210-I214 PolarHBondContact O-N 2.73Å; Y211-I214 HydrophobicContact CD1-CD1 3.67Å; Y211-I214 HydrophobicContact CE1-CD1 4Å; Y211-I214 PolarHBondContact O-N 3.18Å; T212-I214 VanDerWaalsContact C-N 3.35Å; T212-I214 PolarHBondContact O-N 2.94Å; I214-L216 PolarHBondContact O-N 3.16Å; I214-K217 PolarHBondContact O-N 3.28Å; I214-I218 HydrophobicContact CG2-CD1 3.66Å; I214-I218 HydrophobicContact CG2-CG1 4.37Å; I214-I218 WeakPolarHBondContact O-CG1 3.19Å; I214-I218 PolarHBondContact O-N 3.49Å; I214-N254 HydrophobicContact CG2-CB 4.49Å; I214-N254 WeakPolarHBondContact CG2-OD1 3.46Å
215S81.3Confident79.2Confident53 Ų5363.5 Ų63.537%0.37134%0.344SS..Hα-helixtrans-63-43.1-177.1-57.70000111.5Y211 T212 I218 G219 N254Y211-S215 WeakPolarHBondContact O-CB 3.41Å; Y211-S215 PolarHBondContact O-N 3.06Å; Y211-S215 PolarHBondContact O-OG 2.95Å; T212-S215 PolarHBondContact O-N 3.34Å; T212-S215 VanDerWaalsContact O-N 3.16Å; S215-I218 PolarHBondContact O-N 3.04Å; S215-G219 PolarHBondContact O-N 2.71Å; S215-N254 PolarHBondContact OG-ND2 3.36Å
216L82.8Confident77.5Confident107 Ų10762.3 Ų62.356%0.5634%0.344SS*.Hα-helixtrans-62.4-44.6174.5-68.5174.5000112T212 I214 I218 G219 Q220T212-L216 HydrophobicContact CG2-CD1 4.24Å; T212-L216 WeakPolarHBondContact O-CG 3.24Å; T212-L216 PolarHBondContact O-N 2.63Å; I214-L216 PolarHBondContact O-N 3.16Å; L216-I218 PolarHBondContact O-N 2.93Å; L216-G219 PolarHBondContact O-N 3.48Å; L216-Q220 WeakPolarHBondContact O-CB 3.38Å; L216-Q220 WeakPolarHBondContact O-CG 3.18Å; L216-Q220 PolarHBondContact O-N 3.49Å
217K81.1Confident75.8Confident66 Ų6662.2 Ų62.229%0.28735%0.352SS..Hα-helixtrans-65.3-40.2179.7-177.855.7171-176.60112.4A213 I214 S221A213-K217 WeakPolarHBondContact O-CB 3.32Å; A213-K217 PolarHBondContact O-N 3.07Å; I214-K217 PolarHBondContact O-N 3.28Å; K217-S221 WeakPolarHBondContact O-CB 3.3Å; K217-S221 PolarHBondContact O-N 2.99Å; K217-S221 PolarHBondContact O-OG 2.97Å
218I75Confident74Confident18 Ų1869.1 Ų69.19%0.09238%0.382CS..Hα-helixtrans-65.1-44.9175.3-67.8172000109.8I129 I214 S215 L216 S221 M222 V247 Q251I129-I218 HydrophobicContact CG2-CG1 4.5Å; I214-I218 HydrophobicContact CG2-CD1 3.66Å; I214-I218 HydrophobicContact CG2-CG1 4.37Å; I214-I218 WeakPolarHBondContact O-CG1 3.19Å; I214-I218 PolarHBondContact O-N 3.49Å; S215-I218 PolarHBondContact O-N 3.04Å; L216-I218 PolarHBondContact O-N 2.93Å; I218-S221 PolarHBondContact O-N 3.25Å; I218-M222 PolarHBondContact O-N 3.27Å; I218-V247 HydrophobicContact CG2-CG1 4.4Å; I218-Q251 HydrophobicContact CG2-CG 3.96Å
219G72.3Confident72.2Confident23 Ų2372.2 Ų72.224%0.23739%0.392CS..Hα-helixtrans-59.4-50.5176.900000112.9S215 L216 S221 M222 I223S215-G219 PolarHBondContact O-N 2.71Å; L216-G219 PolarHBondContact O-N 3.48Å; G219-S221 VanDerWaalsContact C-N 3.3Å; G219-S221 PolarHBondContact O-N 2.93Å; G219-M222 PolarHBondContact O-N 3.22Å; G219-I223 WeakPolarHBondContact O-CG1 3.41Å; G219-I223 PolarHBondContact O-N 3.43Å
220Q72.9Confident70.3Confident108 Ų10874.7 Ų74.751%0.50540%0.401SS..Hα-helixtrans-58.6-40.7176.6-73.9175.6-7.300112.3L216 M222 I223 L224L216-Q220 WeakPolarHBondContact O-CB 3.38Å; L216-Q220 WeakPolarHBondContact O-CG 3.18Å; L216-Q220 PolarHBondContact O-N 3.49Å; Q220-M222 PolarHBondContact O-N 2.86Å; Q220-I223 PolarHBondContact O-N 3.3Å; Q220-L224 WeakPolarHBondContact O-CB 3.44Å; Q220-L224 PolarHBondContact O-N 3.25Å
221S68.4Low68.4Low50 Ų5083.4 Ų83.435%0.3544%0.438SS..Hα-helixtrans-65.6-26.2178.8-57.40000112.7K217 I218 G219 K225K217-S221 WeakPolarHBondContact O-CB 3.3Å; K217-S221 PolarHBondContact O-N 2.99Å; K217-S221 PolarHBondContact O-OG 2.97Å; I218-S221 PolarHBondContact O-N 3.25Å; G219-S221 VanDerWaalsContact C-N 3.3Å; G219-S221 PolarHBondContact O-N 2.93Å; S221-K225 WeakPolarHBondContact O-CD 3.4Å; S221-K225 WeakPolarHBondContact O-CG 3.16Å
222M65.7Low66.7Low93 Ų9386.5 Ų86.546%0.45846%0.458SS..Hα-helixtrans-81.5-43.4173.2-66.3-164.6-62.600111.8I218 G219 Q220 K225 G226 V247I218-M222 PolarHBondContact O-N 3.27Å; G219-M222 PolarHBondContact O-N 3.22Å; Q220-M222 PolarHBondContact O-N 2.86Å; M222-K225 PolarHBondContact O-N 2.97Å; M222-G226 PolarHBondContact O-N 3.05Å; M222-V247 HydrophobicContact SD-CG1 4.31Å
223I62.1Low65Low123 Ų12390.2 Ų90.263%0.63148%0.475SS*.Hα-helixtrans-63.2-46.1179.3-64.8167.4000111G219 Q220 K225 G226 A227G219-I223 WeakPolarHBondContact O-CG1 3.41Å; G219-I223 PolarHBondContact O-N 3.43Å; Q220-I223 PolarHBondContact O-N 3.3Å; I223-K225 VanDerWaalsContact C-N 3.25Å; I223-K225 PolarHBondContact O-N 3.47Å; I223-G226 PolarHBondContact O-N 3.09Å; I223-G226 VanDerWaalsContact O-N 3.16Å; I223-A227 WeakPolarHBondContact O-CB 3.44Å; I223-A227 PolarHBondContact O-N 3.15Å
224L61.6Low63Low129 Ų12995.9 Ų95.968%0.67550%0.501SS*.Hα-helixtrans-62.1-34.6178.9-130.582.5000112.3Q220 K228Q220-L224 WeakPolarHBondContact O-CB 3.44Å; Q220-L224 PolarHBondContact O-N 3.25Å; L224-K228 PolarHBondContact O-N 3.46Å
225K60.4Low61.1Low94 Ų94106.1 Ų106.141%0.40954%0.54SS..Hα-helixtrans-75.3-36176.2-72.5-177.1178.8-164.90111.9S221 M222 I223 K229 L239S221-K225 WeakPolarHBondContact O-CD 3.4Å; S221-K225 WeakPolarHBondContact O-CG 3.16Å; M222-K225 PolarHBondContact O-N 2.97Å; I223-K225 VanDerWaalsContact C-N 3.25Å; I223-K225 PolarHBondContact O-N 3.47Å; K225-K229 PolarHBondContact O-N 2.97Å; K225-L239 HydrophobicContact CD-CD1 4.42Å
226G56.1Low59.2Low41 Ų41112.1 Ų112.142%0.42356%0.562SS.*Hα-helixtrans-67.4-40.2172.800000113.1M222 I223 K229 Q230M222-G226 PolarHBondContact O-N 3.05Å; I223-G226 PolarHBondContact O-N 3.09Å; I223-G226 VanDerWaalsContact O-N 3.16Å; G226-K229 VanDerWaalsContact O-CB 3.26Å; G226-K229 WeakPolarHBondContact O-CB 3.49Å; G226-K229 PolarHBondContact O-N 3.41Å; G226-K229 VanDerWaalsContact O-N 3.16Å; G226-Q230 PolarHBondContact O-N 3.25Å
227A55.3Low57.6Low56 Ų56115 Ų11546%0.46358%0.575SS.*Hα-helixtrans-68.4-35176.900000112.6I223 K229 Q230I223-A227 WeakPolarHBondContact O-CB 3.44Å; I223-A227 PolarHBondContact O-N 3.15Å; A227-K229 VanDerWaalsContact C-N 3.29Å; A227-K229 PolarHBondContact O-N 3.5Å; A227-Q230 PolarHBondContact O-N 2.84Å
228K52.7Low56.3Low148 Ų148118.2 Ų118.264%0.64359%0.591SS**Hα-helixtrans-65-30.9170.2-93.1-172.7172.7-172.40113L224 Q230 T232L224-K228 PolarHBondContact O-N 3.46Å; K228-Q230 VanDerWaalsContact C-N 3.3Å; K228-Q230 PolarHBondContact O-N 3.49Å; K228-T232 PolarHBondContact O-OG1 2.83Å
229K49.7Very low55.3Low165 Ų165119.5 Ų119.572%0.71760%0.598SS**Hα-helixtrans-66.2-30.9175.9-167.7-178.2178.6-173.50112.4K225 G226 A227K225-K229 PolarHBondContact O-N 2.97Å; G226-K229 VanDerWaalsContact O-CB 3.26Å; G226-K229 WeakPolarHBondContact O-CB 3.49Å; G226-K229 PolarHBondContact O-N 3.41Å; G226-K229 VanDerWaalsContact O-N 3.16Å; A227-K229 VanDerWaalsContact C-N 3.29Å; A227-K229 PolarHBondContact O-N 3.5Å
230Q50Low54.9Low169 Ų169121.4 Ų121.479%0.7961%0.608SS**Hα-helixtrans-87.3-13.4-176.5-154.9175.524.700113.9G226 A227 K228G226-Q230 PolarHBondContact O-N 3.25Å; A227-Q230 PolarHBondContact O-N 2.84Å; K228-Q230 VanDerWaalsContact C-N 3.3Å; K228-Q230 PolarHBondContact O-N 3.49Å
231K48.7Very low54.6Low193 Ų193121.4 Ų121.484%0.83961%0.611SS**SBendtrans-105.40-175.1-142.5179.7-174.9-178.90114
232T49.3Very low54.4Low76 Ų76125.8 Ų125.847%0.46663%0.626SS.*  trans-131.483.9-173.6-23.40000109.5K228 N234K228-T232 PolarHBondContact O-OG1 2.83Å; T232-N234 PolarHBondContact O-N 3.36Å
233D49.8Very low54.5Low153 Ų153126.4 Ų126.482%0.81863%0.628SS**THydrogen-bonded Turntrans-70.814.1-174.5-89.8-17000115.7
234N43.1Very low54.8Low147 Ų147125.7 Ų125.779%0.78662%0.617SS**THydrogen-bonded Turntrans-154.719.4-179.8-99.5-21.5000117.6T232T232-N234 PolarHBondContact O-N 3.36Å
235W44.5Very low55.2Low216 Ų216124.4 Ų124.482%0.81861%0.61SS**  trans-137.7106.8166.1-61.496.8000108.6M237W235-M237 PolarHBondContact O-N 3.13Å
236E42.6Very low55.6Low180 Ų180122 Ų12284%0.84161%0.607SS**  trans-57.686.6168.5-85.2179.6142.700109.1E238E236-E238 PolarHBondContact O-N 2.83Å
237M48.8Very low56.3Low167 Ų167121.9 Ų121.982%0.82360%0.598SS**  trans-76.768.5158.6-165.6172.6-69.200106.4W235 L239W235-M237 PolarHBondContact O-N 3.13Å; M237-L239 PolarHBondContact O-N 3.43Å
238E52.7Low57Low134 Ų134126.4 Ų126.463%0.62661%0.607SS**  trans-54.9114.8161.7-83.4-160.6128.700106.7E236 S240E236-E238 PolarHBondContact O-N 2.83Å; E238-S240 VanDerWaalsContact C-N 3.3Å; E238-S240 PolarHBondContact O-N 3.49Å
239L55.5Low57.7Low44 Ų44125.4 Ų125.423%0.2360%0.6CS.*  trans-56.8103167.3-159.3-173.5000105.3K225 M237 D241 Q243 R244K225-L239 HydrophobicContact CD-CD1 4.42Å; M237-L239 PolarHBondContact O-N 3.43Å; L239-D241 PolarHBondContact O-N 2.97Å; L239-Q243 HydrophobicContact CD2-CB 3.12Å; L239-Q243 HydrophobicContact CD2-CG 4.27Å; L239-R244 HydrophobicContact CB-CG 4.18Å; L239-R244 HydrophobicContact CD1-CG 3.75Å; L239-R244 HydrophobicContact CD2-CG 3.85Å; L239-R244 HydrophobicContact CG-CG 4.12Å
240S64.1Low58.7Low64 Ų64123.6 Ų123.645%0.44859%0.588SS.*  trans-41.2129.9-179.3169.90000109.3E238 Q242 Q243 R244E238-S240 VanDerWaalsContact C-N 3.3Å; E238-S240 PolarHBondContact O-N 3.49Å; S240-Q242 PolarHBondContact O-N 3.2Å; S240-Q243 PolarHBondContact O-N 3.18Å; S240-R244 PolarHBondContact O-N 2.85Å
241D66.6Low59.6Low107 Ų107118.7 Ų118.757%0.57257%0.565SS**Hα-helixtrans-49.7-31.9-175.5-76-36.1000112.3L239 Q243 R244 I245L239-D241 PolarHBondContact O-N 2.97Å; D241-Q243 PolarHBondContact O-N 2.92Å; D241-R244 PolarHBondContact O-N 2.98Å; D241-I245 WeakPolarHBondContact O-CB 3.41Å; D241-I245 WeakPolarHBondContact O-CD1 3.13Å; D241-I245 WeakPolarHBondContact O-CG1 3.36Å; D241-I245 PolarHBondContact O-N 2.81Å
242Q64.3Low60.6Low142 Ų142112.5 Ų112.566%0.66454%0.537SS*.Hα-helixtrans-57.8-44.1172.9-67.3-175.1-14.800113.8S240 A246S240-Q242 PolarHBondContact O-N 3.2Å; Q242-A246 WeakPolarHBondContact O-CB 3.27Å; Q242-A246 PolarHBondContact O-N 3.41Å
243Q67.6Low61.5Low107 Ų107110.8 Ų110.850%0.553%0.526SS..Hα-helixtrans-73-34.1176.7-92.7-172-1.700111.9L239 S240 D241 A246 V247L239-Q243 HydrophobicContact CD2-CB 3.12Å; L239-Q243 HydrophobicContact CD2-CG 4.27Å; S240-Q243 PolarHBondContact O-N 3.18Å; D241-Q243 PolarHBondContact O-N 2.92Å; Q243-A246 PolarHBondContact O-N 3.41Å; Q243-V247 WeakPolarHBondContact O-CG2 3.49Å; Q243-V247 PolarHBondContact O-N 3.48Å
244R68.1Low62.5Low108 Ų108104.1 Ų104.141%0.40849%0.491SS..Hα-helixtrans-61.8-46.2172.7-80.1175.9-177.1176.96.1110.7L239 S240 D241 A246 V247 K248L239-R244 HydrophobicContact CB-CG 4.18Å; L239-R244 HydrophobicContact CD1-CG 3.75Å; L239-R244 HydrophobicContact CD2-CG 3.85Å; L239-R244 HydrophobicContact CG-CG 4.12Å; S240-R244 PolarHBondContact O-N 2.85Å; D241-R244 PolarHBondContact O-N 2.98Å; R244-A246 VanDerWaalsContact C-N 3.35Å; R244-V247 PolarHBondContact O-N 2.9Å; R244-K248 WeakPolarHBondContact O-CG 3.33Å; R244-K248 PolarHBondContact O-N 2.85Å
245I70.1Confident63.9Low102 Ų102104 Ų10452%0.52348%0.479SS..Hα-helixtrans-61.1-44.3176.4-67.8163.3000110.4D241 V247 K248 R249D241-I245 WeakPolarHBondContact O-CB 3.41Å; D241-I245 WeakPolarHBondContact O-CD1 3.13Å; D241-I245 WeakPolarHBondContact O-CG1 3.36Å; D241-I245 PolarHBondContact O-N 2.81Å; I245-V247 PolarHBondContact O-N 3.01Å; I245-K248 PolarHBondContact O-N 2.73Å; I245-R249 WeakPolarHBondContact O-CB 3.42Å; I245-R249 PolarHBondContact O-N 2.61Å
246A68.3Low65.3Low42 Ų4294 Ų9435%0.34744%0.442SS..Hα-helixtrans-62-41.5177.900000113Q242 Q243 R244 R249 R250Q242-A246 WeakPolarHBondContact O-CB 3.27Å; Q242-A246 PolarHBondContact O-N 3.41Å; Q243-A246 PolarHBondContact O-N 3.41Å; R244-A246 VanDerWaalsContact C-N 3.35Å; A246-R249 PolarHBondContact O-N 3.33Å; A246-R250 WeakPolarHBondContact O-CG 3.46Å; A246-R250 PolarHBondContact O-N 3Å
247V69.7Low66.7Low40 Ų4085.9 Ų85.924%0.24240%0.404CS..Hα-helixtrans-66.4-45.3176.5172.80000111.3I218 M222 Q243 R244 I245 R249 R250 Q251I218-V247 HydrophobicContact CG2-CG1 4.4Å; M222-V247 HydrophobicContact SD-CG1 4.31Å; Q243-V247 WeakPolarHBondContact O-CG2 3.49Å; Q243-V247 PolarHBondContact O-N 3.48Å; R244-V247 PolarHBondContact O-N 2.9Å; I245-V247 PolarHBondContact O-N 3.01Å; V247-R249 VanDerWaalsContact C-N 3.31Å; V247-R249 PolarHBondContact O-N 3.31Å; V247-R250 WeakPolarHBondContact O-CB 3.25Å; V247-R250 PolarHBondContact O-N 3.1Å; V247-Q251 PolarHBondContact O-N 3.15Å
248K70.5Confident68Low150 Ų15081 Ų8165%0.65238%0.38SS*.Hα-helixtrans-59.8-41.2175.6-74.3-177.4178.1-178.50111.8R244 I245 Q251 R252R244-K248 WeakPolarHBondContact O-CG 3.33Å; R244-K248 PolarHBondContact O-N 2.85Å; I245-K248 PolarHBondContact O-N 2.73Å; K248-Q251 PolarHBondContact O-N 3.45Å; K248-R252 PolarHBondContact O-N 3.17Å
249R68.3Low69.2Low127 Ų12775.7 Ų75.748%0.47936%0.362SS..Hα-helixtrans-61.1-45.2175.4-169175.9179.81781111.3I245 A246 V247 Q251 R252 T253 Q319I245-R249 WeakPolarHBondContact O-CB 3.42Å; I245-R249 PolarHBondContact O-N 2.61Å; A246-R249 PolarHBondContact O-N 3.33Å; V247-R249 VanDerWaalsContact C-N 3.31Å; V247-R249 PolarHBondContact O-N 3.31Å; R249-Q251 PolarHBondContact O-N 2.9Å; R249-R252 PolarHBondContact O-N 2.96Å; R249-T253 PolarHBondContact O-N 3.33Å; R249-T253 PolarHBondContact O-OG1 2.84Å; R249-Q319 VanDerWaalsContact NH2-CD 3.34Å
250R70.1Confident70.1Confident127 Ų12773.7 Ų73.748%0.47935%0.351SS..Hα-helixtrans-60.5-43.5175.7-72.3174.2-175.7-162.10.3112.4A246 V247 T253 N254A246-R250 WeakPolarHBondContact O-CG 3.46Å; A246-R250 PolarHBondContact O-N 3Å; V247-R250 WeakPolarHBondContact O-CB 3.25Å; V247-R250 PolarHBondContact O-N 3.1Å; R250-T253 PolarHBondContact O-N 3.45Å; R250-N254 WeakPolarHBondContact O-CB 3.27Å; R250-N254 PolarHBondContact O-N 2.99Å
251Q70Confident70.7Confident66 Ų6671.2 Ų71.231%0.30833%0.334SS..Hα-helixtrans-62.9-41.8176.5-74.9177.8-14.300112.4I218 V247 K248 R249 N254 R255I218-Q251 HydrophobicContact CG2-CG 3.96Å; V247-Q251 PolarHBondContact O-N 3.15Å; K248-Q251 PolarHBondContact O-N 3.45Å; R249-Q251 PolarHBondContact O-N 2.9Å; Q251-N254 PolarHBondContact O-N 2.97Å; Q251-R255 WeakPolarHBondContact O-CB 3.48Å; Q251-R255 PolarHBondContact O-N 2.8Å
252R69.1Low71.5Confident63 Ų6369.9 Ų69.924%0.23833%0.329CS..Hα-helixtrans-62.4-45.7176.3-177.8179176.9165.71.9111.5K248 R249 N254 R255 M256 V315 L316 L318K248-R252 PolarHBondContact O-N 3.17Å; R249-R252 PolarHBondContact O-N 2.96Å; R252-N254 VanDerWaalsContact C-N 3.33Å; R252-N254 PolarHBondContact O-N 3.48Å; R252-R255 PolarHBondContact O-N 3.46Å; R252-M256 WeakPolarHBondContact O-CB 3.47Å; R252-M256 PolarHBondContact O-N 3.07Å; R252-V315 PolarHBondContact NH2-O 2.86Å; R252-L316 PolarHBondContact NE-O 3.48Å; R252-L318 VanDerWaalsContact CZ-CG 3.5Å; R252-L318 VanDerWaalsContact NH1-CD1 3.26Å; R252-L318 VanDerWaalsContact NH1-CD2 3.25Å; R252-L318 VanDerWaalsContact NH2-CD2 3.3Å
253T67.6Low72.5Confident40 Ų4064 Ų6425%0.24531%0.305CS..Hα-helixtrans-61.9-41.5174.8-57.20000111.3R249 R250 M256 L257R249-T253 PolarHBondContact O-N 3.33Å; R249-T253 PolarHBondContact O-OG1 2.84Å; R250-T253 PolarHBondContact O-N 3.45Å; T253-M256 WeakPolarHBondContact O-CB 3.31Å; T253-M256 PolarHBondContact O-N 3.35Å; T253-L257 HydrophobicContact CG2-CD1 4.05Å; T253-L257 VanDerWaalsContact O-CG 3.25Å; T253-L257 WeakPolarHBondContact O-CG 3.26Å; T253-L257 PolarHBondContact O-N 3.12Å
254N70.8Confident73.2Confident14 Ų1459.2 Ų59.28%0.07528%0.282CS..Hα-helixtrans-61.3-46.5176.2-165.152.7000111.9Y211 I214 S215 R250 Q251 R252 M256 L257 I258Y211-N254 WeakPolarHBondContact CD1-OD1 3.33Å; I214-N254 HydrophobicContact CG2-CB 4.49Å; I214-N254 WeakPolarHBondContact CG2-OD1 3.46Å; S215-N254 PolarHBondContact OG-ND2 3.36Å; R250-N254 WeakPolarHBondContact O-CB 3.27Å; R250-N254 PolarHBondContact O-N 2.99Å; Q251-N254 PolarHBondContact O-N 2.97Å; R252-N254 VanDerWaalsContact C-N 3.33Å; R252-N254 PolarHBondContact O-N 3.48Å; N254-M256 VanDerWaalsContact C-N 3.32Å; N254-M256 PolarHBondContact O-N 3.49Å; N254-L257 PolarHBondContact O-N 2.85Å; N254-I258 VanDerWaalsContact O-CG1 3.31Å; N254-I258 WeakPolarHBondContact O-CG1 3.38Å; N254-I258 PolarHBondContact O-N 2.69Å
255R73.3Confident74Confident144 Ų14455.1 Ų55.154%0.54327%0.272SS..Hα-helixtrans-63.3-37.4176.5-176.6172.759.1-119.81112.4Q251 R252 G259Q251-R255 WeakPolarHBondContact O-CB 3.48Å; Q251-R255 PolarHBondContact O-N 2.8Å; R252-R255 PolarHBondContact O-N 3.46Å; R255-G259 PolarHBondContact O-N 3.02Å
256M72.2Confident74.9Confident7 Ų753.6 Ų53.63%0.03427%0.269CS..Hα-helixtrans-57.6-50.7172.2-178.5-17987.300111.8R252 T253 N254 I258 G259 M260 L316 N317R252-M256 WeakPolarHBondContact O-CB 3.47Å; R252-M256 PolarHBondContact O-N 3.07Å; T253-M256 WeakPolarHBondContact O-CB 3.31Å; T253-M256 PolarHBondContact O-N 3.35Å; N254-M256 VanDerWaalsContact C-N 3.32Å; N254-M256 PolarHBondContact O-N 3.49Å; M256-I258 PolarHBondContact O-N 2.72Å; M256-G259 PolarHBondContact O-N 3.18Å; M256-G259 VanDerWaalsContact O-N 3.15Å; M256-M260 HydrophobicContact CE-SD 4.36Å; M256-M260 HydrophobicContact CG-SD 4.24Å; M256-M260 WeakPolarHBondContact O-CG 3.34Å; M256-M260 PolarHBondContact O-N 2.89Å; M256-L316 VanDerWaalsContact CA-CD1 3.43Å; M256-L316 HydrophobicContact CB-CB 3.58Å; M256-L316 HydrophobicContact CB-CD1 3.71Å; M256-L316 HydrophobicContact CB-CG 4.25Å; M256-L316 HydrophobicContact CG-CB 3.51Å; M256-L316 HydrophobicContact CG-CD1 3.88Å; M256-L316 HydrophobicContact CG-CG 4.3Å; M256-L316 HydrophobicContact SD-CB 3.74Å; M256-N317 HydrophobicContact SD-CB 3.96Å
257L72.2Confident76Confident9 Ų951.9 Ų51.95%0.04725%0.254CS..Hα-helixtrans-68.1-38.3-176.3-65.3167.8000111.9I121 R125 Y211 T253 N254 G259 M260 V261I121-L257 HydrophobicContact CG2-CD1 4.31Å; I121-L257 HydrophobicContact CG2-CD2 3.64Å; R125-L257 HydrophobicContact CG-CD1 3.8Å; Y211-L257 HydrophobicContact CE1-CB 3.76Å; Y211-L257 HydrophobicContact CE1-CD1 3.92Å; Y211-L257 HydrophobicContact CE1-CG 4.5Å; Y211-L257 HydrophobicContact CE2-CB 4.14Å; Y211-L257 VanDerWaalsContact CZ-CB 3.42Å; Y211-L257 WeakPolarHBondContact OH-CB 3.49Å; Y211-L257 WeakPolarHBondContact OH-CD1 3.39Å; T253-L257 HydrophobicContact CG2-CD1 4.05Å; T253-L257 VanDerWaalsContact O-CG 3.25Å; T253-L257 WeakPolarHBondContact O-CG 3.26Å; T253-L257 PolarHBondContact O-N 3.12Å; N254-L257 PolarHBondContact O-N 2.85Å; L257-G259 VanDerWaalsContact C-N 3.33Å; L257-M260 HydrophobicContact CD2-SD 4.16Å; L257-M260 PolarHBondContact O-N 2.95Å; L257-V261 VanDerWaalsContact O-CG2 3.25Å; L257-V261 WeakPolarHBondContact O-CG2 3.3Å; L257-V261 PolarHBondContact O-N 3.26Å; L257-V261 VanDerWaalsContact O-N 3.09Å
258I76.9Confident76.9Confident63 Ų6351.1 Ų51.132%0.32325%0.247SC..Hα-helixtrans-59.4-46.5170.4-67.2165.4000110.1Y211 N254 M256 M260 V261 V262Y211-I258 HydrophobicContact CD1-CG1 4.37Å; Y211-I258 HydrophobicContact CD2-CG1 4.09Å; Y211-I258 HydrophobicContact CG-CG1 3.89Å; N254-I258 VanDerWaalsContact O-CG1 3.31Å; N254-I258 WeakPolarHBondContact O-CG1 3.38Å; N254-I258 PolarHBondContact O-N 2.69Å; M256-I258 PolarHBondContact O-N 2.72Å; I258-M260 VanDerWaalsContact C-N 3.32Å; I258-M260 PolarHBondContact O-N 3.47Å; I258-V261 PolarHBondContact O-N 3.36Å; I258-V262 HydrophobicContact CG2-CG2 4.27Å; I258-V262 WeakPolarHBondContact O-CG2 3.44Å; I258-V262 PolarHBondContact O-N 2.98Å
259G77.6Confident77.8Confident24 Ų2447.7 Ų47.725%0.24724%0.235CC..Hα-helixtrans-58-42176.900000113R255 M256 L257 V261 V262 A263R255-G259 PolarHBondContact O-N 3.02Å; M256-G259 PolarHBondContact O-N 3.18Å; M256-G259 VanDerWaalsContact O-N 3.15Å; L257-G259 VanDerWaalsContact C-N 3.33Å; G259-V261 PolarHBondContact O-N 2.92Å; G259-V262 PolarHBondContact O-N 3.39Å; G259-A263 VanDerWaalsContact O-CB 3.29Å; G259-A263 WeakPolarHBondContact O-CB 3.41Å; G259-A263 PolarHBondContact O-N 3.21Å
260M75.1Confident79Confident1 Ų148.7 Ų48.71%0.00524%0.239CC..Hα-helixtrans-62.8-42.4176.8-69.217268.400112.3L118 M256 L257 I258 F264 L312 Y313L118-M260 HydrophobicContact CD2-CE 3.9Å; M256-M260 HydrophobicContact CE-SD 4.36Å; M256-M260 HydrophobicContact CG-SD 4.24Å; M256-M260 WeakPolarHBondContact O-CG 3.34Å; M256-M260 PolarHBondContact O-N 2.89Å; L257-M260 HydrophobicContact CD2-SD 4.16Å; L257-M260 PolarHBondContact O-N 2.95Å; I258-M260 VanDerWaalsContact C-N 3.32Å; I258-M260 PolarHBondContact O-N 3.47Å; M260-F264 VanDerWaalsContact O-CB 3.28Å; M260-F264 WeakPolarHBondContact O-CB 3.45Å; M260-F264 PolarHBondContact O-N 2.74Å; M260-L312 VanDerWaalsContact CA-CD1 3.44Å; M260-L312 HydrophobicContact CB-CD1 4.06Å; M260-L312 HydrophobicContact CG-CB 3.95Å; M260-L312 HydrophobicContact CG-CD1 3.55Å; M260-L312 HydrophobicContact CG-CG 4.38Å; M260-Y313 HydrophobicContact CE-CD1 4.39Å; M260-Y313 HydrophobicContact CE-CE1 3.28Å; M260-Y313 VanDerWaalsContact CE-CZ 3.42Å; M260-Y313 WeakPolarHBondContact CE-OH 3.47Å; M260-Y313 HydrophobicContact SD-CD1 4.2Å; M260-Y313 HydrophobicContact SD-CE1 3.52Å; M260-Y313 VanDerWaalsContact SD-CE1 3.52Å
261V77.1Confident80Confident13 Ų1343.1 Ų43.18%0.07922%0.22CC..Hα-helixtrans-67.8-43.5179.2172.80000111L204 I207 Y211 L257 I258 G259 F264 A265L204-V261 HydrophobicContact CD2-CG1 3.91Å; I207-V261 HydrophobicContact CD1-CG2 4.34Å; I207-V261 HydrophobicContact CG2-CB 4.11Å; I207-V261 HydrophobicContact CG2-CG1 3.62Å; I207-V261 HydrophobicContact CG2-CG2 3.51Å; Y211-V261 HydrophobicContact CE2-CG2 4.07Å; L257-V261 VanDerWaalsContact O-CG2 3.25Å; L257-V261 WeakPolarHBondContact O-CG2 3.3Å; L257-V261 PolarHBondContact O-N 3.26Å; L257-V261 VanDerWaalsContact O-N 3.09Å; I258-V261 PolarHBondContact O-N 3.36Å; G259-V261 PolarHBondContact O-N 2.92Å; V261-F264 PolarHBondContact O-N 3.15Å; V261-A265 VanDerWaalsContact O-CB 3.31Å; V261-A265 WeakPolarHBondContact O-CB 3.33Å; V261-A265 PolarHBondContact O-N 3.5Å
262V83.1Confident81Confident79 Ų7941.4 Ų41.448%0.47921%0.214SC..Hα-helixtrans-63.5-46.7177.51720000110.1I258 G259 F264 A265 C266I258-V262 HydrophobicContact CG2-CG2 4.27Å; I258-V262 WeakPolarHBondContact O-CG2 3.44Å; I258-V262 PolarHBondContact O-N 2.98Å; G259-V262 PolarHBondContact O-N 3.39Å; V262-F264 VanDerWaalsContact C-N 3.32Å; V262-F264 PolarHBondContact O-N 3.47Å; V262-A265 PolarHBondContact O-N 2.98Å; V262-C266 VanDerWaalsContact O-CB 3.24Å; V262-C266 WeakPolarHBondContact O-CB 3.4Å; V262-C266 PolarHBondContact O-N 3.41Å; V262-C266 PolarHBondContact O-SG 2.75Å
263A85.4Confident82Confident17 Ų1741.5 Ų41.514%0.1422%0.222CC..Hα-helixtrans-59.2-44.5177.100000111.5G259 S267 W308 L312G259-A263 VanDerWaalsContact O-CB 3.29Å; G259-A263 WeakPolarHBondContact O-CB 3.41Å; G259-A263 PolarHBondContact O-N 3.21Å; A263-S267 VanDerWaalsContact O-CB 3.31Å; A263-S267 WeakPolarHBondContact O-CB 3.34Å; A263-S267 PolarHBondContact O-N 3.42Å; A263-S267 PolarHBondContact O-OG 2.97Å; A263-W308 HydrophobicContact CB-CB 3.93Å; A263-W308 HydrophobicContact CB-CG 4.01Å; A263-L312 HydrophobicContact CB-CD1 4.08Å
264F81.6Confident83.2Confident8 Ų840.2 Ų40.24%0.03521%0.213CC..Hα-helixtrans-62.4-54.2176-173.7-89.4000111.6L111 T115 L118 M260 V261 V262 C266 S267 W268L111-F264 HydrophobicContact CD1-CZ 3.78Å; T115-F264 HydrophobicContact CG2-CE1 4.42Å; T115-F264 WeakPolarHBondContact OG1-CE1 3.07Å; T115-F264 WeakPolarHBondContact OG1-CZ 3.33Å; L118-F264 HydrophobicContact CD1-CB 4.18Å; L118-F264 HydrophobicContact CD1-CD1 4.43Å; L118-F264 HydrophobicContact CD1-CD2 4.2Å; L118-F264 HydrophobicContact CD1-CG 4Å; M260-F264 VanDerWaalsContact O-CB 3.28Å; M260-F264 WeakPolarHBondContact O-CB 3.45Å; M260-F264 PolarHBondContact O-N 2.74Å; V261-F264 PolarHBondContact O-N 3.15Å; V262-F264 VanDerWaalsContact C-N 3.32Å; V262-F264 PolarHBondContact O-N 3.47Å; F264-C266 PolarHBondContact O-N 3.38Å; F264-S267 PolarHBondContact O-N 2.88Å; F264-S267 VanDerWaalsContact O-N 3.14Å; F264-W268 AromaticContact CD1-CD1 3.99Å; F264-W268 AromaticContact CD2-CD1 3.65Å; F264-W268 AromaticContact CD2-NE1 3.69Å; F264-W268 AromaticContact CE1-CD1 3.79Å; F264-W268 HydrophobicContact CE1-CG 4.2Å; F264-W268 AromaticContact CE2-CD1 3.45Å; F264-W268 VanDerWaalsContact CE2-CD1 3.45Å; F264-W268 HydrophobicContact CE2-CG 4.38Å; F264-W268 AromaticContact CE2-NE1 3.24Å; F264-W268 AromaticContact CG-CD1 3.91Å; F264-W268 AromaticContact CZ-CD1 3.51Å; F264-W268 HydrophobicContact CZ-CD2 4.42Å; F264-W268 HydrophobicContact CZ-CG 4.06Å; F264-W268 AromaticContact CZ-NE1 3.61Å; F264-W268 PolarHBondContact O-N 3.44Å
265A84.9Confident84.2Confident22 Ų2242 Ų4218%0.18222%0.222CC..Hα-helixtrans-58.9-46.1-179.100000112.2L204 V261 V262 S267 W268 I269L204-A265 HydrophobicContact CD1-CB 4.32Å; L204-A265 HydrophobicContact CD2-CB 4.1Å; V261-A265 VanDerWaalsContact O-CB 3.31Å; V261-A265 WeakPolarHBondContact O-CB 3.33Å; V261-A265 PolarHBondContact O-N 3.5Å; V262-A265 PolarHBondContact O-N 2.98Å; A265-S267 VanDerWaalsContact C-N 3.3Å; A265-S267 PolarHBondContact O-N 3.31Å; A265-W268 PolarHBondContact O-N 3.33Å; A265-I269 VanDerWaalsContact O-CB 3.26Å; A265-I269 WeakPolarHBondContact O-CB 3.35Å; A265-I269 WeakPolarHBondContact O-CG2 3.04Å; A265-I269 PolarHBondContact O-N 2.88Å
266C88.8Confident84.9Confident70 Ų7037.2 Ų37.247%0.47321%0.207SC..Hα-helixtrans-67.3-28.8178.5-69.10000113.1V262 F264 W270V262-C266 VanDerWaalsContact O-CB 3.24Å; V262-C266 WeakPolarHBondContact O-CB 3.4Å; V262-C266 PolarHBondContact O-N 3.41Å; V262-C266 PolarHBondContact O-SG 2.75Å; F264-C266 PolarHBondContact O-N 3.38Å; C266-W270 PolarHBondContact O-NE1 3.3Å
267S90.8Very high85.8Confident5 Ų539.5 Ų39.54%0.03522%0.219CC..Hα-helixtrans-73.6-43.2175.3-570000110.9A263 F264 A265 A302 T304A263-S267 VanDerWaalsContact O-CB 3.31Å; A263-S267 WeakPolarHBondContact O-CB 3.34Å; A263-S267 PolarHBondContact O-N 3.42Å; A263-S267 PolarHBondContact O-OG 2.97Å; F264-S267 PolarHBondContact O-N 2.88Å; F264-S267 VanDerWaalsContact O-N 3.14Å; A265-S267 VanDerWaalsContact C-N 3.3Å; A265-S267 PolarHBondContact O-N 3.31Å; S267-A302 VanDerWaalsContact O-CA 3.24Å; S267-A302 WeakPolarHBondContact O-CA 3.36Å; S267-A302 PolarHBondContact O-N 3.37Å; S267-T304 PolarHBondContact OG-OG1 3.45Å
268W89.5Confident86.7Confident24 Ų2443 Ų439%0.09123%0.232CC..Hα-helixtrans-87.4-26.9-170.9-75.891.2000114.8L111 F264 A265 W270 S271 V272 A302 M303 S305L111-W268 HydrophobicContact CB-CH2 4.26Å; L111-W268 HydrophobicContact CD1-CD2 3.63Å; L111-W268 HydrophobicContact CD1-CE3 3.59Å; L111-W268 HydrophobicContact CD1-CG 4.39Å; L111-W268 HydrophobicContact CD1-CH2 3.7Å; L111-W268 HydrophobicContact CD1-CZ2 3.74Å; L111-W268 HydrophobicContact CD1-CZ3 3.63Å; L111-W268 HydrophobicContact CD2-CE3 3.91Å; L111-W268 HydrophobicContact CD2-CH2 4.11Å; L111-W268 HydrophobicContact CD2-CZ3 3.54Å; L111-W268 HydrophobicContact CG-CE3 4.37Å; L111-W268 HydrophobicContact CG-CH2 4.22Å; L111-W268 HydrophobicContact CG-CZ3 4.07Å; F264-W268 AromaticContact CD1-CD1 3.99Å; F264-W268 AromaticContact CD2-CD1 3.65Å; F264-W268 AromaticContact CD2-NE1 3.69Å; F264-W268 AromaticContact CE1-CD1 3.79Å; F264-W268 HydrophobicContact CE1-CG 4.2Å; F264-W268 AromaticContact CE2-CD1 3.45Å; F264-W268 VanDerWaalsContact CE2-CD1 3.45Å; F264-W268 HydrophobicContact CE2-CG 4.38Å; F264-W268 AromaticContact CE2-NE1 3.24Å; F264-W268 AromaticContact CG-CD1 3.91Å; F264-W268 AromaticContact CZ-CD1 3.51Å; F264-W268 HydrophobicContact CZ-CD2 4.42Å; F264-W268 HydrophobicContact CZ-CG 4.06Å; F264-W268 AromaticContact CZ-NE1 3.61Å; F264-W268 PolarHBondContact O-N 3.44Å; A265-W268 PolarHBondContact O-N 3.33Å; W268-W270 VanDerWaalsContact C-N 3.26Å; W268-W270 PolarHBondContact O-N 2.93Å; W268-S271 PolarHBondContact O-N 3.3Å; W268-V272 WeakPolarHBondContact O-CG2 3.48Å; W268-V272 PolarHBondContact O-N 3.15Å; W268-A302 HydrophobicContact CD2-CB 4.09Å; W268-A302 HydrophobicContact CE3-CB 4Å; W268-A302 HydrophobicContact CZ3-CB 4.24Å; W268-M303 HydrophobicContact CH2-CE 3.78Å; W268-M303 HydrophobicContact CZ2-CE 4.15Å; W268-S305 PolarHBondContact NE1-OG 3.36Å
269I89.6Confident87.2Confident79 Ų7940.9 Ų40.941%0.40522%0.221SC..Hα-helixtrans-55.6-40.5-175.1-166.5167.1000112.3A265 S271 V272 T273A265-I269 VanDerWaalsContact O-CB 3.26Å; A265-I269 WeakPolarHBondContact O-CB 3.35Å; A265-I269 WeakPolarHBondContact O-CG2 3.04Å; A265-I269 PolarHBondContact O-N 2.88Å; I269-S271 PolarHBondContact O-N 2.93Å; I269-V272 PolarHBondContact O-N 2.96Å; I269-T273 VanDerWaalsContact O-CB 3.28Å; I269-T273 WeakPolarHBondContact O-CB 3.44Å; I269-T273 PolarHBondContact O-N 2.91Å; I269-T273 PolarHBondContact O-OG1 3.48Å
270W92.6Very high87.6Confident147 Ų14743.7 Ų43.756%0.55722%0.224SC*.Hα-helixtrans-63.9-45.3-179-49.8106000112.4C266 W268 F274 T298C266-W270 PolarHBondContact O-NE1 3.3Å; W268-W270 VanDerWaalsContact C-N 3.26Å; W268-W270 PolarHBondContact O-N 2.93Å; W270-F274 VanDerWaalsContact O-CB 3.29Å; W270-F274 WeakPolarHBondContact O-CB 3.49Å; W270-F274 PolarHBondContact O-N 3.44Å; W270-T298 HydrophobicContact CB-CG2 3.98Å
271S92.1Very high88.3Confident10 Ų1050.6 Ų50.67%0.0726%0.257CS..Hα-helixtrans-68.4-42.5178.8179.50000111.4W268 I269 F274 N275W268-S271 PolarHBondContact O-N 3.3Å; I269-S271 PolarHBondContact O-N 2.93Å; S271-F274 PolarHBondContact O-N 3Å; S271-N275 WeakPolarHBondContact O-CB 3.31Å; S271-N275 PolarHBondContact O-N 3.37Å; S271-N275 PolarHBondContact O-ND2 3.02Å
272V90.1Very high89Confident30 Ų3058.1 Ų58.118%0.18229%0.285CS..Hα-helixtrans-62.8-47.3176.6174.50000110.8M196 L200 W268 I269 N275 I276M196-V272 HydrophobicContact CG-CG1 4.03Å; L200-V272 HydrophobicContact CD2-CB 4.47Å; L200-V272 HydrophobicContact CD2-CG1 4.03Å; W268-V272 WeakPolarHBondContact O-CG2 3.48Å; W268-V272 PolarHBondContact O-N 3.15Å; I269-V272 PolarHBondContact O-N 2.96Å; V272-N275 PolarHBondContact O-N 2.9Å; V272-I276 HydrophobicContact CG1-CD1 3.83Å; V272-I276 WeakPolarHBondContact O-CG1 3.25Å; V272-I276 PolarHBondContact O-N 2.99Å
273T91.1Very high89.4Confident66 Ų6655.4 Ų55.441%0.40527%0.267SS..Hα-helixtrans-61.8-44.7177.4-63.80000111.4I269 N275 I276 L277I269-T273 VanDerWaalsContact O-CB 3.28Å; I269-T273 WeakPolarHBondContact O-CB 3.44Å; I269-T273 PolarHBondContact O-N 2.91Å; I269-T273 PolarHBondContact O-OG1 3.48Å; T273-N275 PolarHBondContact O-N 2.85Å; T273-I276 PolarHBondContact O-N 3.18Å; T273-L277 HydrophobicContact CG2-CD1 3.87Å; T273-L277 HydrophobicContact CG2-CG 4.27Å; T273-L277 WeakPolarHBondContact O-CB 3.43Å; T273-L277 VanDerWaalsContact O-CG 3.31Å; T273-L277 WeakPolarHBondContact O-CG 3.35Å; T273-L277 PolarHBondContact O-N 3.02Å
274F92.9Very high89.7Confident13 Ų1357.8 Ų57.86%0.05728%0.281CS..Hα-helixtrans-58.6-48.8177176.2-94.2000112W270 S271 I276 L277 R278 L283 I287 E291 F294 G295 T298W270-F274 VanDerWaalsContact O-CB 3.29Å; W270-F274 WeakPolarHBondContact O-CB 3.49Å; W270-F274 PolarHBondContact O-N 3.44Å; S271-F274 PolarHBondContact O-N 3Å; F274-I276 VanDerWaalsContact C-N 3.34Å; F274-I276 PolarHBondContact O-N 3.04Å; F274-L277 PolarHBondContact O-N 3.22Å; F274-R278 WeakPolarHBondContact O-CB 3.24Å; F274-R278 PolarHBondContact O-N 3.35Å; F274-L283 HydrophobicContact CD2-CD2 4.1Å; F274-L283 HydrophobicContact CE2-CD2 4.09Å; F274-I287 HydrophobicContact CD2-CG2 4.24Å; F274-I287 HydrophobicContact CE2-CG2 3.86Å; F274-E291 HydrophobicContact CZ-CG 3.87Å; F274-E291 WeakPolarHBondContact CZ-O 3.11Å; F274-F294 HydrophobicContact CD2-CB 4.18Å; F274-F294 HydrophobicContact CE2-CB 3.74Å; F274-G295 VanDerWaalsContact CE1-CA 3.41Å; F274-G295 VanDerWaalsContact CZ-CA 3.49Å; F274-T298 HydrophobicContact CB-CG2 4.18Å
275N90.8Very high90Very high52 Ų5263.7 Ų63.728%0.27831%0.309SS..Hα-helixtrans-62.3-39.9179.7-71.7-40.4000112S271 V272 T273 R278 D279S271-N275 WeakPolarHBondContact O-CB 3.31Å; S271-N275 PolarHBondContact O-N 3.37Å; S271-N275 PolarHBondContact O-ND2 3.02Å; V272-N275 PolarHBondContact O-N 2.9Å; T273-N275 PolarHBondContact O-N 2.85Å; N275-R278 PolarHBondContact O-N 3.41Å; N275-R278 PolarHBondContact OD1-NH2 3.34Å; N275-D279 WeakPolarHBondContact O-CB 3.1Å; N275-D279 PolarHBondContact O-N 3.39Å
276I88.8Confident90.2Very high43 Ų4368.7 Ų68.722%0.22133%0.332CS..Hα-helixtrans-66.2-48176.6-69.7169.4000111.2M196 V272 T273 F274 R278 D279 Y280M196-I276 HydrophobicContact CB-CD1 4.2Å; M196-I276 HydrophobicContact CE-CD1 3.82Å; M196-I276 HydrophobicContact CG-CD1 3.74Å; M196-I276 HydrophobicContact SD-CD1 3.3Å; M196-I276 WeakPolarHBondContact SD-CD1 3.27Å; V272-I276 HydrophobicContact CG1-CD1 3.83Å; V272-I276 WeakPolarHBondContact O-CG1 3.25Å; V272-I276 PolarHBondContact O-N 2.99Å; T273-I276 PolarHBondContact O-N 3.18Å; F274-I276 VanDerWaalsContact C-N 3.34Å; F274-I276 PolarHBondContact O-N 3.04Å; I276-R278 PolarHBondContact O-N 3.16Å; I276-D279 PolarHBondContact O-N 2.9Å; I276-D279 VanDerWaalsContact O-N 3.16Å; I276-Y280 HydrophobicContact CG2-CD2 3.91Å; I276-Y280 HydrophobicContact CG2-CE2 4.24Å; I276-Y280 WeakPolarHBondContact O-CD2 3.07Å; I276-Y280 PolarHBondContact O-N 3.04Å
277L91.5Very high90.2Very high55 Ų5567.1 Ų67.129%0.28832%0.319SS..Hα-helixtrans-60.7-37.5178.8-69.6175.6000111.1T273 F274 E281 Y282 L283T273-L277 HydrophobicContact CG2-CD1 3.87Å; T273-L277 HydrophobicContact CG2-CG 4.27Å; T273-L277 WeakPolarHBondContact O-CB 3.43Å; T273-L277 VanDerWaalsContact O-CG 3.31Å; T273-L277 WeakPolarHBondContact O-CG 3.35Å; T273-L277 PolarHBondContact O-N 3.02Å; F274-L277 PolarHBondContact O-N 3.22Å; L277-E281 PolarHBondContact O-N 3.44Å; L277-E281 VanDerWaalsContact O-N 3.12Å; L277-Y282 PolarHBondContact O-N 3.41Å; L277-L283 HydrophobicContact CB-CD2 3.71Å; L277-L283 HydrophobicContact CB-CG 4.14Å; L277-L283 PolarHBondContact O-N 3.03Å
278R90Very high90.1Very high83 Ų8371.6 Ų71.631%0.31334%0.338SS..Hα-helixtrans-63.7-49173-173.8-171.264-165.8-2.2111.5F274 N275 I276 Y280 E281 L283 E291F274-R278 WeakPolarHBondContact O-CB 3.24Å; F274-R278 PolarHBondContact O-N 3.35Å; N275-R278 PolarHBondContact O-N 3.41Å; N275-R278 PolarHBondContact OD1-NH2 3.34Å; I276-R278 PolarHBondContact O-N 3.16Å; R278-Y280 VanDerWaalsContact C-N 3.32Å; R278-Y280 PolarHBondContact O-N 2.96Å; R278-E281 PolarHBondContact O-N 3.49Å; R278-L283 HydrophobicContact CB-CD1 3.83Å; R278-L283 HydrophobicContact CB-CG 4.37Å; R278-L283 HydrophobicContact CG-CD1 4.06Å; R278-E291 WeakPolarHBondContact CD-OE1 3.47Å
279D86.9Confident90Very high18 Ų1872.8 Ų72.810%0.09635%0.348CS..Hα-helixtrans-67.1-33.1-175.5-69.9-10.4000113R188 K189 N275 I276R188-D279 IonicContact CZ-OD1 2.66Å; R188-D279 IonicContact NH1-OD1 3.52Å; R188-D279 PolarHBondContact NH1-OD1 3.33Å; K189-D279 WeakPolarHBondContact CE-O 3.33Å; N275-D279 WeakPolarHBondContact O-CB 3.1Å; N275-D279 PolarHBondContact O-N 3.39Å; I276-D279 PolarHBondContact O-N 2.9Å; I276-D279 VanDerWaalsContact O-N 3.16Å
280Y87.9Confident90Very high82 Ų8270.3 Ų70.332%0.32233%0.334SS..THydrogen-bonded Turntrans-92.74.5176.6-75-97.2000114K189 I276 R278 Y282K189-Y280 HydrophobicContact CB-CE1 4.41Å; K189-Y280 HydrophobicContact CD-CD1 4.38Å; K189-Y280 HydrophobicContact CD-CE1 4.41Å; I276-Y280 HydrophobicContact CG2-CD2 3.91Å; I276-Y280 HydrophobicContact CG2-CE2 4.24Å; I276-Y280 WeakPolarHBondContact O-CD2 3.07Å; I276-Y280 PolarHBondContact O-N 3.04Å; R278-Y280 VanDerWaalsContact C-N 3.32Å; R278-Y280 PolarHBondContact O-N 2.96Å; Y280-Y282 VanDerWaalsContact CB-CD2 3.5Å; Y280-Y282 HydrophobicContact CD1-CE2 4.43Å; Y280-Y282 HydrophobicContact CG-CD2 4.5Å; Y280-Y282 PolarHBondContact O-N 3.35Å
281E88.3Confident89.9Confident147 Ų14766.7 Ų66.769%0.68732%0.324SS*.THydrogen-bonded Turntrans58.829.9179.4-60.2168.2-140.500114L277 R278L277-E281 PolarHBondContact O-N 3.44Å; L277-E281 VanDerWaalsContact O-N 3.12Å; R278-E281 PolarHBondContact O-N 3.49Å
282Y91.9Very high89.7Confident171 Ų17170.1 Ų70.167%0.67134%0.336SS*.  trans-100.516.8177.3-68.3-51.6000113.4L277 Y280 P284L277-Y282 PolarHBondContact O-N 3.41Å; Y280-Y282 VanDerWaalsContact CB-CD2 3.5Å; Y280-Y282 HydrophobicContact CD1-CE2 4.43Å; Y280-Y282 HydrophobicContact CG-CD2 4.5Å; Y280-Y282 PolarHBondContact O-N 3.35Å; Y282-P284 WeakPolarHBondContact O-CD 3.33Å
283L91.5Very high89.8Confident21 Ų2170 Ų7011%0.1133%0.333CS..  trans-63.9128.6174.9-73.8169.8000110.4F274 L277 R278 I287 K288F274-L283 HydrophobicContact CD2-CD2 4.1Å; F274-L283 HydrophobicContact CE2-CD2 4.09Å; L277-L283 HydrophobicContact CB-CD2 3.71Å; L277-L283 HydrophobicContact CB-CG 4.14Å; L277-L283 PolarHBondContact O-N 3.03Å; R278-L283 HydrophobicContact CB-CD1 3.83Å; R278-L283 HydrophobicContact CB-CG 4.37Å; R278-L283 HydrophobicContact CG-CD1 4.06Å; L283-I287 HydrophobicContact CD2-CB 4.42Å; L283-I287 HydrophobicContact CD2-CG2 3.71Å; L283-K288 HydrophobicContact CB-CB 4.24Å
284P91.8Very high89.9Confident67 Ų6770.1 Ų70.144%0.43533%0.329SS..  trans-55.4147.9169.4-23.132.2000111.4Y282 L286 I287 K288Y282-P284 WeakPolarHBondContact O-CD 3.33Å; P284-L286 PolarHBondContact O-N 3.36Å; P284-L286 VanDerWaalsContact O-N 3.15Å; P284-I287 HydrophobicContact CB-CG1 4.4Å; P284-I287 HydrophobicContact CG-CD1 4.07Å; P284-I287 HydrophobicContact CG-CG1 4.45Å; P284-I287 WeakPolarHBondContact O-CA 3.45Å; P284-I287 PolarHBondContact O-N 3.27Å; P284-K288 PolarHBondContact O-N 3.2Å
285E89.1Confident90Very high133 Ų13370.3 Ų70.362%0.62133%0.334SS*.Hα-helixtrans-55.8-38.4-174.2-161.962.7-157.200113I287 K288 T289E285-I287 VanDerWaalsContact C-N 3.3Å; E285-I287 PolarHBondContact O-N 3.39Å; E285-K288 PolarHBondContact O-N 2.93Å; E285-T289 WeakPolarHBondContact O-CG2 3.45Å; E285-T289 PolarHBondContact O-N 2.99Å; E285-T289 PolarHBondContact O-OG1 2.71Å
286L87.7Confident90.1Very high126 Ų12668 Ų6866%0.6632%0.322SS*.Hα-helixtrans-60-38.5174.4-178.468.2000112.8P284 T289P284-L286 PolarHBondContact O-N 3.36Å; P284-L286 VanDerWaalsContact O-N 3.15Å; L286-T289 PolarHBondContact O-OG1 3.39Å
287I90.1Very high90.5Very high38 Ų3867.4 Ų67.420%0.19532%0.323CS..Hα-helixtrans-80-37.5-179.2-58.4-175.2000110.1F274 L283 P284 E285 T289 Q290 E291 F294F274-I287 HydrophobicContact CD2-CG2 4.24Å; F274-I287 HydrophobicContact CE2-CG2 3.86Å; L283-I287 HydrophobicContact CD2-CB 4.42Å; L283-I287 HydrophobicContact CD2-CG2 3.71Å; P284-I287 HydrophobicContact CB-CG1 4.4Å; P284-I287 HydrophobicContact CG-CD1 4.07Å; P284-I287 HydrophobicContact CG-CG1 4.45Å; P284-I287 WeakPolarHBondContact O-CA 3.45Å; P284-I287 PolarHBondContact O-N 3.27Å; E285-I287 VanDerWaalsContact C-N 3.3Å; E285-I287 PolarHBondContact O-N 3.39Å; I287-T289 VanDerWaalsContact C-N 3.34Å; I287-T289 PolarHBondContact O-N 3.1Å; I287-Q290 CarbonylContact O-C 3.53Å; I287-Q290 PolarHBondContact O-N 2.94Å; I287-E291 WeakPolarHBondContact O-CA 3.29Å; I287-E291 PolarHBondContact O-N 3.37Å; I287-F294 HydrophobicContact CB-CD2 4.13Å; I287-F294 HydrophobicContact CB-CE2 4.38Å; I287-F294 HydrophobicContact CB-CG 4.42Å; I287-F294 HydrophobicContact CG1-CD1 4.39Å; I287-F294 HydrophobicContact CG1-CD2 4.22Å; I287-F294 HydrophobicContact CG1-CE1 4.3Å; I287-F294 HydrophobicContact CG1-CE2 4.13Å; I287-F294 HydrophobicContact CG1-CG 4.36Å; I287-F294 HydrophobicContact CG1-CZ 4.17Å; I287-F294 HydrophobicContact CG2-CB 3.74Å; I287-F294 HydrophobicContact CG2-CD1 4.41Å; I287-F294 HydrophobicContact CG2-CD2 3.81Å; I287-F294 HydrophobicContact CG2-CG 3.74Å
288K88.5Confident90.7Very high99 Ų9965.7 Ų65.743%0.4332%0.315SS..Hα-helixtrans-65-35178.6-172.6-178.5178.8-176.40112.9R17 L283 P284 E285 Q290R17-K288 PolarHBondContact NH1-O 3.32Å; R17-K288 VanDerWaalsContact NH1-O 3.17Å; L283-K288 HydrophobicContact CB-CB 4.24Å; P284-K288 PolarHBondContact O-N 3.2Å; E285-K288 PolarHBondContact O-N 2.93Å; K288-Q290 VanDerWaalsContact C-N 3.33Å
289T87.3Confident90.9Very high49 Ų4962.8 Ų62.830%0.30131%0.305SS..Hα-helixtrans-68.6-33.2174.846.90000112.1E285 L286 I287E285-T289 WeakPolarHBondContact O-CG2 3.45Å; E285-T289 PolarHBondContact O-N 2.99Å; E285-T289 PolarHBondContact O-OG1 2.71Å; L286-T289 PolarHBondContact O-OG1 3.39Å; I287-T289 VanDerWaalsContact C-N 3.34Å; I287-T289 PolarHBondContact O-N 3.1Å
290Q89.8Confident91.4Very high27 Ų2762.4 Ų62.413%0.12630%0.304CS..THydrogen-bonded Turntrans-115.741-177-60.8-66.7-38.800112.2R17 E18 I287 K288 Y292 I293 F294R17-Q290 PolarHBondContact O-NE2 2.86Å; E18-Q290 PolarHBondContact O-NE2 2.8Å; I287-Q290 CarbonylContact O-C 3.53Å; I287-Q290 PolarHBondContact O-N 2.94Å; K288-Q290 VanDerWaalsContact C-N 3.33Å; Q290-Y292 VanDerWaalsContact C-N 3.33Å; Q290-Y292 PolarHBondContact O-N 3.19Å; Q290-I293 HydrophobicContact CB-CB 4.48Å; Q290-I293 HydrophobicContact CB-CD1 4.32Å; Q290-I293 PolarHBondContact O-N 3.36Å; Q290-I293 VanDerWaalsContact O-N 3.09Å; Q290-F294 HydrophobicContact CB-CD2 3.93Å; Q290-F294 HydrophobicContact CB-CE2 3.95Å; Q290-F294 WeakPolarHBondContact O-CD2 3.22Å; Q290-F294 PolarHBondContact O-N 3.02Å; Q290-F294 VanDerWaalsContact O-N 3.15Å
291E89.1Confident91.8Very high70 Ų7061.9 Ų61.933%0.32731%0.306SS..Hα-helixtrans-56-43.3-170.2-173.1-177.6154.800112.8F274 R278 I287 I293 F294 G295F274-E291 HydrophobicContact CZ-CG 3.87Å; F274-E291 WeakPolarHBondContact CZ-O 3.11Å; R278-E291 WeakPolarHBondContact CD-OE1 3.47Å; I287-E291 WeakPolarHBondContact O-CA 3.29Å; I287-E291 PolarHBondContact O-N 3.37Å; E291-I293 VanDerWaalsContact C-N 3.34Å; E291-I293 PolarHBondContact O-N 2.94Å; E291-F294 PolarHBondContact O-N 3.04Å; E291-G295 PolarHBondContact O-N 3.02Å
292Y89.3Confident92.1Very high82 Ų8254.9 Ų54.932%0.32227%0.273SS..Hα-helixtrans-62.7-38.4179.6-75.3-84.6000112.6L13 D19 S21 K91 Q290 I296L13-Y292 HydrophobicContact CD1-CD2 4.21Å; L13-Y292 HydrophobicContact CD1-CE2 3.6Å; D19-Y292 WeakPolarHBondContact OD2-CD2 3.47Å; S21-Y292 WeakPolarHBondContact OG-CB 3.38Å; K91-Y292 HydrophobicContact CD-CE1 4.39Å; K91-Y292 HydrophobicContact CD-CE2 4.39Å; K91-Y292 HydrophobicContact CG-CE1 4.18Å; Q290-Y292 VanDerWaalsContact C-N 3.33Å; Q290-Y292 PolarHBondContact O-N 3.19Å; Y292-I296 WeakPolarHBondContact O-CB 3.32Å; Y292-I296 WeakPolarHBondContact O-CG2 3.36Å; Y292-I296 PolarHBondContact O-N 3.16Å
293I92.1Very high92.2Very high27 Ų2746.8 Ų46.814%0.13824%0.241CC..Hα-helixtrans-69.6-50.1179.7-62177.7000110.8L20 Q290 E291 G295 I296 A297L20-I293 HydrophobicContact CB-CD1 3.34Å; L20-I293 HydrophobicContact CD1-CD1 3.68Å; L20-I293 HydrophobicContact CG-CD1 3.87Å; Q290-I293 HydrophobicContact CB-CB 4.48Å; Q290-I293 HydrophobicContact CB-CD1 4.32Å; Q290-I293 PolarHBondContact O-N 3.36Å; Q290-I293 VanDerWaalsContact O-N 3.09Å; E291-I293 VanDerWaalsContact C-N 3.34Å; E291-I293 PolarHBondContact O-N 2.94Å; I293-G295 VanDerWaalsContact C-N 3.29Å; I293-G295 PolarHBondContact O-N 2.88Å; I293-I296 WeakPolarHBondContact O-CG2 3.47Å; I293-I296 PolarHBondContact O-N 3.36Å; I293-A297 WeakPolarHBondContact O-CB 3.37Å; I293-A297 PolarHBondContact O-N 3.41Å
294F93.6Very high92.4Very high70 Ų7047.6 Ų47.631%0.30725%0.247SC..Hα-helixtrans-66.6-36.4179.6-76-78.8000111.1F274 I287 Q290 E291 A297 T298F274-F294 HydrophobicContact CD2-CB 4.18Å; F274-F294 HydrophobicContact CE2-CB 3.74Å; I287-F294 HydrophobicContact CB-CD2 4.13Å; I287-F294 HydrophobicContact CB-CE2 4.38Å; I287-F294 HydrophobicContact CB-CG 4.42Å; I287-F294 HydrophobicContact CG1-CD1 4.39Å; I287-F294 HydrophobicContact CG1-CD2 4.22Å; I287-F294 HydrophobicContact CG1-CE1 4.3Å; I287-F294 HydrophobicContact CG1-CE2 4.13Å; I287-F294 HydrophobicContact CG1-CG 4.36Å; I287-F294 HydrophobicContact CG1-CZ 4.17Å; I287-F294 HydrophobicContact CG2-CB 3.74Å; I287-F294 HydrophobicContact CG2-CD1 4.41Å; I287-F294 HydrophobicContact CG2-CD2 3.81Å; I287-F294 HydrophobicContact CG2-CG 3.74Å; Q290-F294 HydrophobicContact CB-CD2 3.93Å; Q290-F294 HydrophobicContact CB-CE2 3.95Å; Q290-F294 WeakPolarHBondContact O-CD2 3.22Å; Q290-F294 PolarHBondContact O-N 3.02Å; Q290-F294 VanDerWaalsContact O-N 3.15Å; E291-F294 PolarHBondContact O-N 3.04Å; F294-A297 PolarHBondContact O-N 2.98Å; F294-T298 WeakPolarHBondContact O-CB 3.4Å; F294-T298 VanDerWaalsContact O-CG2 3.26Å; F294-T298 WeakPolarHBondContact O-CG2 3.43Å; F294-T298 PolarHBondContact O-N 3.4Å; F294-T298 PolarHBondContact O-OG1 3.18Å
295G93.8Very high92.4Very high17 Ų1744.5 Ų44.518%0.17523%0.227CC..Hα-helixtrans-60.4-50.2172.700000112.2F274 E291 I293 T298 H299F274-G295 VanDerWaalsContact CE1-CA 3.41Å; F274-G295 VanDerWaalsContact CZ-CA 3.49Å; E291-G295 PolarHBondContact O-N 3.02Å; I293-G295 VanDerWaalsContact C-N 3.29Å; I293-G295 PolarHBondContact O-N 2.88Å; G295-T298 PolarHBondContact O-OG1 3.38Å; G295-T298 VanDerWaalsContact O-OG1 3.13Å; G295-H299 VanDerWaalsContact O-CB 3.22Å; G295-H299 WeakPolarHBondContact O-CB 3.32Å; G295-H299 PolarHBondContact O-N 3.28Å
296I94.4Very high92.6Very high4 Ų438.2 Ų38.22%0.02120%0.198CC..Hα-helixtrans-70.8-34.5179.9-161.461.9000112.5F30 Y34 P85 A88 F89 Y292 I293 C300F30-I296 HydrophobicContact CD1-CG1 4.38Å; F30-I296 HydrophobicContact CD1-CG2 4.31Å; F30-I296 HydrophobicContact CD2-CG2 4.3Å; F30-I296 HydrophobicContact CE1-CG2 4.06Å; F30-I296 HydrophobicContact CE2-CG2 4.03Å; F30-I296 HydrophobicContact CG-CG2 4.43Å; F30-I296 HydrophobicContact CZ-CG2 3.91Å; Y34-I296 HydrophobicContact CE2-CD1 3.79Å; Y34-I296 HydrophobicContact CE2-CG1 3.9Å; Y34-I296 VanDerWaalsContact OH-CD1 3.3Å; Y34-I296 WeakPolarHBondContact OH-CD1 3.5Å; Y34-I296 PolarHBondContact OH-O 2.73Å; P85-I296 HydrophobicContact CB-CD1 4.02Å; A88-I296 HydrophobicContact CB-CD1 3.9Å; A88-I296 HydrophobicContact CB-CG1 4.42Å; F89-I296 HydrophobicContact CE2-CG1 4.29Å; F89-I296 HydrophobicContact CZ-CG1 4.26Å; F89-I296 HydrophobicContact CZ-CG2 4.27Å; Y292-I296 WeakPolarHBondContact O-CB 3.32Å; Y292-I296 WeakPolarHBondContact O-CG2 3.36Å; Y292-I296 PolarHBondContact O-N 3.16Å; I293-I296 WeakPolarHBondContact O-CG2 3.47Å; I293-I296 PolarHBondContact O-N 3.36Å; I296-C300 WeakPolarHBondContact O-CB 3.36Å; I296-C300 PolarHBondContact O-N 2.96Å
297A95.7Very high92.8Very high29 Ų2933.5 Ų33.524%0.2417%0.174CC..Hα-helixtrans-64.6-49.4176.300000111.8F30 I293 F294 H299 C300 I301F30-A297 HydrophobicContact CE1-CB 4.31Å; F30-A297 HydrophobicContact CZ-CB 4.01Å; I293-A297 WeakPolarHBondContact O-CB 3.37Å; I293-A297 PolarHBondContact O-N 3.41Å; F294-A297 PolarHBondContact O-N 2.98Å; A297-H299 VanDerWaalsContact C-N 3.35Å; A297-H299 PolarHBondContact O-N 3.37Å; A297-C300 WeakPolarHBondContact O-CB 3.27Å; A297-C300 PolarHBondContact O-N 3.19Å; A297-I301 WeakPolarHBondContact O-CG1 3.43Å; A297-I301 PolarHBondContact O-N 3.42Å
298T96Very high92.8Very high20 Ų2037.1 Ų37.112%0.12319%0.186CC..Hα-helixtrans-66.8-36.9178.257.40000111.9W270 F274 F294 G295 I301 A302W270-T298 HydrophobicContact CB-CG2 3.98Å; F274-T298 HydrophobicContact CB-CG2 4.18Å; F294-T298 WeakPolarHBondContact O-CB 3.4Å; F294-T298 VanDerWaalsContact O-CG2 3.26Å; F294-T298 WeakPolarHBondContact O-CG2 3.43Å; F294-T298 PolarHBondContact O-N 3.4Å; F294-T298 PolarHBondContact O-OG1 3.18Å; G295-T298 PolarHBondContact O-OG1 3.38Å; G295-T298 VanDerWaalsContact O-OG1 3.13Å; T298-I301 PolarHBondContact O-N 2.93Å; T298-A302 PolarHBondContact O-N 3.28Å
299H95.5Very high92.6Very high21 Ų2132.5 Ų32.510%0.09717%0.166CC..Hα-helixtrans-64.4-41.1171.5-178.9-104.4000112.1Y34 S80 T84 G295 A297 I301 A302 M303Y34-H299 AromaticContact CE1-ND1 3.94Å; Y34-H299 AromaticContact CZ-ND1 3.73Å; Y34-H299 PolarHBondContact OH-ND1 2.86Å; S80-H299 PolarHBondContact O-CE1 3.04Å; S80-H299 PolarHBondContact OG-NE2 3.35Å; S80-H299 VanDerWaalsContact OG-NE2 3.12Å; T84-H299 VanDerWaalsContact CB-CE1 3.47Å; T84-H299 WeakPolarHBondContact CB-CE1 3.42Å; G295-H299 VanDerWaalsContact O-CB 3.22Å; G295-H299 WeakPolarHBondContact O-CB 3.32Å; G295-H299 PolarHBondContact O-N 3.28Å; A297-H299 VanDerWaalsContact C-N 3.35Å; A297-H299 PolarHBondContact O-N 3.37Å; H299-I301 VanDerWaalsContact C-N 3.35Å; H299-I301 PolarHBondContact O-N 3.22Å; H299-A302 WeakPolarHBondContact O-CB 3.16Å; H299-A302 PolarHBondContact O-N 2.73Å; H299-M303 WeakPolarHBondContact NE2-CE 3.07Å; H299-M303 WeakPolarHBondContact O-CG 3.15Å; H299-M303 PolarHBondContact O-N 2.91Å
300C96.5Very high92.6Very high10 Ų1030.7 Ų30.77%0.06815%0.154CC..Hα-helixtrans-60.7-44.9177.5-1730000111.1F30 Y34 I296 A297 A302 M303 T304F30-C300 HydrophobicContact CD1-CB 4.34Å; F30-C300 HydrophobicContact CE1-CB 4.17Å; Y34-C300 HydrophobicContact CE2-CB 3.95Å; Y34-C300 WeakPolarHBondContact OH-CA 3.35Å; Y34-C300 WeakPolarHBondContact OH-CB 3.3Å; Y34-C300 PolarHBondContact OH-N 2.99Å; I296-C300 WeakPolarHBondContact O-CB 3.36Å; I296-C300 PolarHBondContact O-N 2.96Å; A297-C300 WeakPolarHBondContact O-CB 3.27Å; A297-C300 PolarHBondContact O-N 3.19Å; C300-A302 VanDerWaalsContact C-N 3.34Å; C300-A302 PolarHBondContact O-N 3.47Å; C300-M303 PolarHBondContact O-N 2.81Å; C300-T304 PolarHBondContact O-N 2.89Å
301I96.1Very high92.4Very high71 Ų7133.5 Ų33.536%0.36417%0.17SC..Hα-helixtrans-59.9-44.9174.2-63.8165.1000110.6A297 T298 H299 M303 T304A297-I301 WeakPolarHBondContact O-CG1 3.43Å; A297-I301 PolarHBondContact O-N 3.42Å; T298-I301 PolarHBondContact O-N 2.93Å; H299-I301 VanDerWaalsContact C-N 3.35Å; H299-I301 PolarHBondContact O-N 3.22Å; I301-M303 VanDerWaalsContact C-N 3.33Å; I301-M303 PolarHBondContact O-N 3.41Å; I301-T304 WeakPolarHBondContact O-CB 3.48Å; I301-T304 PolarHBondContact O-N 3.1Å; I301-T304 VanDerWaalsContact O-N 3.14Å; I301-T304 PolarHBondContact O-OG1 3.44Å
302A94.4Very high92.1Very high0 Ų031.6 Ų31.60%016%0.162CC..Hα-helixtrans-59.3-41.9177.200000112.5S267 W268 T298 H299 C300 T304 S305S267-A302 VanDerWaalsContact O-CA 3.24Å; S267-A302 WeakPolarHBondContact O-CA 3.36Å; S267-A302 PolarHBondContact O-N 3.37Å; W268-A302 HydrophobicContact CD2-CB 4.09Å; W268-A302 HydrophobicContact CE3-CB 4Å; W268-A302 HydrophobicContact CZ3-CB 4.24Å; T298-A302 PolarHBondContact O-N 3.28Å; H299-A302 WeakPolarHBondContact O-CB 3.16Å; H299-A302 PolarHBondContact O-N 2.73Å; C300-A302 VanDerWaalsContact C-N 3.34Å; C300-A302 PolarHBondContact O-N 3.47Å; A302-T304 PolarHBondContact O-N 2.86Å; A302-S305 WeakPolarHBondContact O-CB 3.04Å; A302-S305 PolarHBondContact O-N 2.87Å; A302-S305 VanDerWaalsContact O-N 3.11Å; A302-S305 PolarHBondContact O-OG 2.91Å; A302-S305 VanDerWaalsContact O-OG 3.07Å
303M95.1Very high91.7Very high1 Ų127.7 Ų27.71%0.00515%0.146CC..Hα-helixtrans-64.1-21.4179.1-66.3-55.997.200113.5Y34 I37 V76 A81 W268 H299 C300 I301 S305 T306Y34-M303 HydrophobicContact CE1-CB 4.43Å; Y34-M303 HydrophobicContact CE1-CG 3.95Å; I37-M303 HydrophobicContact CG2-CB 3.96Å; V76-M303 HydrophobicContact CG1-CE 4.22Å; V76-M303 HydrophobicContact CG1-SD 3.63Å; A81-M303 HydrophobicContact CB-CB 4.49Å; A81-M303 HydrophobicContact CB-CG 4.01Å; A81-M303 HydrophobicContact CB-SD 3.87Å; W268-M303 HydrophobicContact CH2-CE 3.78Å; W268-M303 HydrophobicContact CZ2-CE 4.15Å; H299-M303 WeakPolarHBondContact NE2-CE 3.07Å; H299-M303 WeakPolarHBondContact O-CG 3.15Å; H299-M303 PolarHBondContact O-N 2.91Å; C300-M303 PolarHBondContact O-N 2.81Å; I301-M303 VanDerWaalsContact C-N 3.33Å; I301-M303 PolarHBondContact O-N 3.41Å; M303-S305 PolarHBondContact O-N 2.75Å; M303-S305 VanDerWaalsContact O-N 3.1Å; M303-T306 PolarHBondContact O-N 2.92Å; M303-T306 PolarHBondContact O-OG1 3.43Å
304T94.4Very high91Very high38 Ų3827.9 Ų27.923%0.23315%0.152CC..THydrogen-bonded Turntrans-61.6-18.5174.669.70000113.2I37 S267 C300 I301 A302 T306 V307 W308I37-T304 HydrophobicContact CD1-CG2 3.87Å; I37-T304 HydrophobicContact CG1-CG2 4.33Å; S267-T304 PolarHBondContact OG-OG1 3.45Å; C300-T304 PolarHBondContact O-N 2.89Å; I301-T304 WeakPolarHBondContact O-CB 3.48Å; I301-T304 PolarHBondContact O-N 3.1Å; I301-T304 VanDerWaalsContact O-N 3.14Å; I301-T304 PolarHBondContact O-OG1 3.44Å; A302-T304 PolarHBondContact O-N 2.86Å; T304-T306 PolarHBondContact O-N 3.34Å; T304-V307 WeakPolarHBondContact O-CB 3.32Å; T304-V307 PolarHBondContact O-N 2.86Å; T304-W308 PolarHBondContact O-N 3.12Å; T304-W308 VanDerWaalsContact O-N 3.14Å; T304-W308 PolarHBondContact OG1-NE1 3.17Å
305S91.7Very high90.1Very high3 Ų328.9 Ų28.92%0.02116%0.164CC..Hα-helixtrans-57.1-31175.772.80000113.4W268 A302 M303 V307 W308 N309W268-S305 PolarHBondContact NE1-OG 3.36Å; A302-S305 WeakPolarHBondContact O-CB 3.04Å; A302-S305 PolarHBondContact O-N 2.87Å; A302-S305 VanDerWaalsContact O-N 3.11Å; A302-S305 PolarHBondContact O-OG 2.91Å; A302-S305 VanDerWaalsContact O-OG 3.07Å; M303-S305 PolarHBondContact O-N 2.75Å; M303-S305 VanDerWaalsContact O-N 3.1Å; S305-V307 PolarHBondContact O-N 3.27Å; S305-W308 PolarHBondContact O-N 2.98Å; S305-N309 PolarHBondContact O-N 2.85Å
306T92.9Very high89Confident0 Ų029.6 Ų29.60%016%0.164CC..Hα-helixtrans-68-22178670000112.4N45 D73 V76 M303 T304 P310N45-T306 PolarHBondContact ND2-O 3.42Å; D73-T306 HydrophobicContact CB-CG2 4.16Å; V76-T306 HydrophobicContact CB-CG2 4.11Å; V76-T306 HydrophobicContact CG1-CG2 3.8Å; M303-T306 PolarHBondContact O-N 2.92Å; M303-T306 PolarHBondContact O-OG1 3.43Å; T304-T306 PolarHBondContact O-N 3.34Å; T306-P310 VanDerWaalsContact O-CD 3.28Å; T306-P310 WeakPolarHBondContact O-CD 3.3Å
307V93.8Very high88.1Confident28 Ų2830.5 Ų30.517%0.1717%0.168CC..Hα-helixtrans-92.2-38.2179.6-1760000111I37 A40 T304 S305 N309 P310 L311I37-V307 HydrophobicContact CG2-CG2 4.23Å; A40-V307 HydrophobicContact CB-CG1 4.01Å; A40-V307 HydrophobicContact CB-CG2 3.96Å; T304-V307 WeakPolarHBondContact O-CB 3.32Å; T304-V307 PolarHBondContact O-N 2.86Å; S305-V307 PolarHBondContact O-N 3.27Å; V307-N309 VanDerWaalsContact C-N 3.25Å; V307-N309 PolarHBondContact O-N 3.16Å; V307-P310 WeakPolarHBondContact O-CD 3.37Å; V307-L311 HydrophobicContact CG1-CD1 3.85Å; V307-L311 HydrophobicContact CG1-CG 4.33Å; V307-L311 WeakPolarHBondContact O-CG 3.03Å; V307-L311 PolarHBondContact O-N 3.32Å
308W89.6Confident87.1Confident114 Ų11432.6 Ų32.643%0.43218%0.175SC..Hα-helixtrans-59.7-35.7179.5-67.9122000112.7A263 T304 S305 L311 L312A263-W308 HydrophobicContact CB-CB 3.93Å; A263-W308 HydrophobicContact CB-CG 4.01Å; T304-W308 PolarHBondContact O-N 3.12Å; T304-W308 VanDerWaalsContact O-N 3.14Å; T304-W308 PolarHBondContact OG1-NE1 3.17Å; S305-W308 PolarHBondContact O-N 2.98Å; W308-L311 HydrophobicContact CE3-CD1 4.23Å; W308-L311 HydrophobicContact CZ3-CD1 4.39Å; W308-L311 PolarHBondContact O-N 2.94Å; W308-L312 HydrophobicContact CB-CD1 4.49Å; W308-L312 WeakPolarHBondContact O-CB 3.47Å; W308-L312 WeakPolarHBondContact O-CD1 3.26Å; W308-L312 WeakPolarHBondContact O-CG 3.38Å; W308-L312 PolarHBondContact O-N 2.96Å
309N84.8Confident86.1Confident2 Ų234.4 Ų34.41%0.01118%0.182CC..Hα-helixtrans-59.2-61.6-178.6-73.4-17.1000112.3D73 S305 V307 L311 L312 Y313D73-N309 PolarHBondContact OD2-ND2 3.19Å; S305-N309 PolarHBondContact O-N 2.85Å; V307-N309 VanDerWaalsContact C-N 3.25Å; V307-N309 PolarHBondContact O-N 3.16Å; N309-L311 VanDerWaalsContact C-N 3.33Å; N309-L311 PolarHBondContact O-N 2.81Å; N309-L312 PolarHBondContact O-N 3.18Å; N309-Y313 HydrophobicContact CB-CE2 4.11Å; N309-Y313 WeakPolarHBondContact O-CD2 3.31Å; N309-Y313 WeakPolarHBondContact O-CE2 3.42Å; N309-Y313 VanDerWaalsContact O-CG 3.27Å; N309-Y313 PolarHBondContact O-N 3.46Å; N309-Y313 VanDerWaalsContact O-N 3.1Å
310P86.1Confident85.2Confident10 Ų1033.4 Ų33.47%0.06518%0.178CC..Hα-helixtrans-53.6-42.3173.3-28.433.9000114.8N45 V48 T306 V307 Y313 A314N45-P310 HydrophobicContact CB-CG 4.41Å; N45-P310 VanDerWaalsContact OD1-CG 3.28Å; N45-P310 WeakPolarHBondContact OD1-CG 3.02Å; V48-P310 HydrophobicContact CG2-CB 4.2Å; V48-P310 HydrophobicContact CG2-CG 4.35Å; T306-P310 VanDerWaalsContact O-CD 3.28Å; T306-P310 WeakPolarHBondContact O-CD 3.3Å; V307-P310 WeakPolarHBondContact O-CD 3.37Å; P310-Y313 PolarHBondContact O-N 3.4Å; P310-A314 WeakPolarHBondContact O-CB 3.42Å; P310-A314 PolarHBondContact O-N 3.42Å
311L85.7Confident84.5Confident87 Ų8738.5 Ų38.546%0.45520%0.195SC..Hα-helixtrans-62.6-45.4-179.3-71.6177.9000111.6V307 W308 N309 Y313 A314 V315V307-L311 HydrophobicContact CG1-CD1 3.85Å; V307-L311 HydrophobicContact CG1-CG 4.33Å; V307-L311 WeakPolarHBondContact O-CG 3.03Å; V307-L311 PolarHBondContact O-N 3.32Å; W308-L311 HydrophobicContact CE3-CD1 4.23Å; W308-L311 HydrophobicContact CZ3-CD1 4.39Å; W308-L311 PolarHBondContact O-N 2.94Å; N309-L311 VanDerWaalsContact C-N 3.33Å; N309-L311 PolarHBondContact O-N 2.81Å; L311-Y313 VanDerWaalsContact C-N 3.32Å; L311-Y313 PolarHBondContact O-N 3.45Å; L311-A314 PolarHBondContact O-N 3.47Å; L311-V315 WeakPolarHBondContact O-CG2 3.31Å; L311-V315 PolarHBondContact O-N 3.44Å
312L81.9Confident83.7Confident29 Ų2936.7 Ų36.715%0.15219%0.191CC..Hα-helixtrans-64.9-37.3177.9-72169000111.6M260 A263 W308 N309 L316M260-L312 VanDerWaalsContact CA-CD1 3.44Å; M260-L312 HydrophobicContact CB-CD1 4.06Å; M260-L312 HydrophobicContact CG-CB 3.95Å; M260-L312 HydrophobicContact CG-CD1 3.55Å; M260-L312 HydrophobicContact CG-CG 4.38Å; A263-L312 HydrophobicContact CB-CD1 4.08Å; W308-L312 HydrophobicContact CB-CD1 4.49Å; W308-L312 WeakPolarHBondContact O-CB 3.47Å; W308-L312 WeakPolarHBondContact O-CD1 3.26Å; W308-L312 WeakPolarHBondContact O-CG 3.38Å; W308-L312 PolarHBondContact O-N 2.96Å; N309-L312 PolarHBondContact O-N 3.18Å; L312-L316 HydrophobicContact CD2-CD1 4.09Å; L312-L316 VanDerWaalsContact O-CB 3.31Å; L312-L316 WeakPolarHBondContact O-CB 3.49Å; L312-L316 PolarHBondContact O-N 3.29Å
313Y81.2Confident83Confident0 Ų037 Ų370%019%0.194CC..Hα-helixtrans-63.4-46.7172.3-57.7-40.4000112V48 I66 M260 N309 P310 L311 V315 L316 N317 L320V48-Y313 HydrophobicContact CG1-CD2 4.41Å; V48-Y313 HydrophobicContact CG2-CD2 3.91Å; I66-Y313 HydrophobicContact CB-CE1 4.37Å; I66-Y313 HydrophobicContact CD1-CD1 4.06Å; I66-Y313 HydrophobicContact CD1-CE1 3.73Å; I66-Y313 HydrophobicContact CG1-CD1 4.44Å; I66-Y313 HydrophobicContact CG1-CE1 3.67Å; I66-Y313 HydrophobicContact CG2-CD1 4.32Å; I66-Y313 HydrophobicContact CG2-CD2 3.88Å; I66-Y313 HydrophobicContact CG2-CE1 3.91Å; I66-Y313 HydrophobicContact CG2-CE2 3.48Å; I66-Y313 VanDerWaalsContact CG2-CE2 3.48Å; I66-Y313 HydrophobicContact CG2-CG 4.31Å; I66-Y313 VanDerWaalsContact CG2-CZ 3.49Å; M260-Y313 HydrophobicContact CE-CD1 4.39Å; M260-Y313 HydrophobicContact CE-CE1 3.28Å; M260-Y313 VanDerWaalsContact CE-CZ 3.42Å; M260-Y313 WeakPolarHBondContact CE-OH 3.47Å; M260-Y313 HydrophobicContact SD-CD1 4.2Å; M260-Y313 HydrophobicContact SD-CE1 3.52Å; M260-Y313 VanDerWaalsContact SD-CE1 3.52Å; N309-Y313 HydrophobicContact CB-CE2 4.11Å; N309-Y313 WeakPolarHBondContact O-CD2 3.31Å; N309-Y313 WeakPolarHBondContact O-CE2 3.42Å; N309-Y313 VanDerWaalsContact O-CG 3.27Å; N309-Y313 PolarHBondContact O-N 3.46Å; N309-Y313 VanDerWaalsContact O-N 3.1Å; P310-Y313 PolarHBondContact O-N 3.4Å; L311-Y313 VanDerWaalsContact C-N 3.32Å; L311-Y313 PolarHBondContact O-N 3.45Å; Y313-V315 VanDerWaalsContact C-N 3.33Å; Y313-V315 PolarHBondContact O-N 2.86Å; Y313-L316 PolarHBondContact O-N 3.35Å; Y313-N317 WeakPolarHBondContact O-CA 3.32Å; Y313-N317 VanDerWaalsContact O-CB 3.25Å; Y313-N317 WeakPolarHBondContact O-CB 3.46Å; Y313-N317 PolarHBondContact O-N 2.94Å; Y313-L320 HydrophobicContact CG-CD1 4.19Å
314A78.4Confident82.3Confident32 Ų3238.4 Ų38.426%0.26420%0.2SC..Hα-helixtrans-62.7-38.1-179.600000112.5P310 L311 R321 F324P310-A314 WeakPolarHBondContact O-CB 3.42Å; P310-A314 PolarHBondContact O-N 3.42Å; L311-A314 PolarHBondContact O-N 3.47Å; A314-R321 WeakPolarHBondContact O-CB 3.49Å; A314-R321 WeakPolarHBondContact O-CD 3.39Å; A314-R321 WeakPolarHBondContact O-CG 3.44Å; A314-F324 HydrophobicContact CB-CD2 3.96Å; A314-F324 HydrophobicContact CB-CE2 3.88Å
315V75.3Confident81.6Confident91 Ų9138.2 Ų38.255%0.55220%0.197SC*.Hα-helixtrans-77.9-41.1-179.91770000111.5R252 L311 Y313R252-V315 PolarHBondContact NH2-O 2.86Å; L311-V315 WeakPolarHBondContact O-CG2 3.31Å; L311-V315 PolarHBondContact O-N 3.44Å; Y313-V315 VanDerWaalsContact C-N 3.33Å; Y313-V315 PolarHBondContact O-N 2.86Å
316L69.7Low81.1Confident31 Ų3143.3 Ų43.316%0.16223%0.225CC..Hα-helixtrans-111.9-21.1-163.6-57172000114.3R252 M256 L312 Y313R252-L316 PolarHBondContact NE-O 3.48Å; M256-L316 VanDerWaalsContact CA-CD1 3.43Å; M256-L316 HydrophobicContact CB-CB 3.58Å; M256-L316 HydrophobicContact CB-CD1 3.71Å; M256-L316 HydrophobicContact CB-CG 4.25Å; M256-L316 HydrophobicContact CG-CB 3.51Å; M256-L316 HydrophobicContact CG-CD1 3.88Å; M256-L316 HydrophobicContact CG-CG 4.3Å; M256-L316 HydrophobicContact SD-CB 3.74Å; L312-L316 HydrophobicContact CD2-CD1 4.09Å; L312-L316 VanDerWaalsContact O-CB 3.31Å; L312-L316 WeakPolarHBondContact O-CB 3.49Å; L312-L316 PolarHBondContact O-N 3.29Å; Y313-L316 PolarHBondContact O-N 3.35Å
317N76.2Confident80.6Confident23 Ų2346.2 Ų46.212%0.12324%0.24CC..  trans-97.494.8172-170.7-24.8000110.7M256 Y313 Q319 L320 R321M256-N317 HydrophobicContact SD-CB 3.96Å; Y313-N317 WeakPolarHBondContact O-CA 3.32Å; Y313-N317 VanDerWaalsContact O-CB 3.25Å; Y313-N317 WeakPolarHBondContact O-CB 3.46Å; Y313-N317 PolarHBondContact O-N 2.94Å; N317-Q319 PolarHBondContact O-N 2.98Å; N317-Q319 PolarHBondContact OD1-N 3.42Å; N317-L320 HydrophobicContact CB-CB 4.08Å; N317-L320 HydrophobicContact CB-CD1 4.04Å; N317-L320 HydrophobicContact CB-CG 4.32Å; N317-L320 VanDerWaalsContact ND2-CD1 3.28Å; N317-L320 WeakPolarHBondContact ND2-CD1 3.32Å; N317-L320 PolarHBondContact O-N 3.44Å; N317-L320 VanDerWaalsContact O-N 3.17Å; N317-L320 PolarHBondContact OD1-N 3.49Å; N317-R321 PolarHBondContact O-N 2.87Å
318L73.4Confident80.1Confident73 Ų7347.1 Ų47.138%0.38224%0.243SC..Hα-helixtrans-55-35.3-178.3-73.3175.6000114.3R252 R321 A322 L346R252-L318 VanDerWaalsContact CZ-CG 3.5Å; R252-L318 VanDerWaalsContact NH1-CD1 3.26Å; R252-L318 VanDerWaalsContact NH1-CD2 3.25Å; R252-L318 VanDerWaalsContact NH2-CD2 3.3Å; L318-R321 PolarHBondContact O-N 2.9Å; L318-A322 PolarHBondContact O-N 2.77Å; L318-L346 HydrophobicContact CD1-CD1 3.95Å
319Q76.1Confident79.7Confident59 Ų5944.7 Ų44.728%0.27624%0.241SC..Hα-helixtrans-73.7-39.5-177.8-67.4-179.6-38.500111.1L58 R249 N317 A323L58-Q319 HydrophobicContact CD2-CB 3.58Å; R249-Q319 VanDerWaalsContact NH2-CD 3.34Å; N317-Q319 PolarHBondContact O-N 2.98Å; N317-Q319 PolarHBondContact OD1-N 3.42Å; Q319-A323 PolarHBondContact O-N 2.83Å
320L75.9Confident79.3Confident0 Ų050.8 Ų50.80%027%0.27CS..Hα-helixtrans-68.2-39171.1-73.7173.7000111.5A51 I52 L58 I66 Y313 N317 A322 A323 F324A51-L320 HydrophobicContact CB-CD2 4.26Å; I52-L320 HydrophobicContact CD1-CD2 4.12Å; I52-L320 HydrophobicContact CG1-CD2 3.65Å; L58-L320 HydrophobicContact CD1-CD2 4.11Å; I66-L320 HydrophobicContact CD1-CD1 4.38Å; I66-L320 HydrophobicContact CG2-CD1 4.35Å; Y313-L320 HydrophobicContact CG-CD1 4.19Å; N317-L320 HydrophobicContact CB-CB 4.08Å; N317-L320 HydrophobicContact CB-CD1 4.04Å; N317-L320 HydrophobicContact CB-CG 4.32Å; N317-L320 VanDerWaalsContact ND2-CD1 3.28Å; N317-L320 WeakPolarHBondContact ND2-CD1 3.32Å; N317-L320 PolarHBondContact O-N 3.44Å; N317-L320 VanDerWaalsContact O-N 3.17Å; N317-L320 PolarHBondContact OD1-N 3.49Å; L320-A322 PolarHBondContact O-N 2.88Å; L320-A323 CarbonylContact O-C 3.58Å; L320-A323 PolarHBondContact O-N 3.15Å; L320-F324 HydrophobicContact CB-CD2 4.44Å; L320-F324 HydrophobicContact CB-CE2 4.05Å; L320-F324 WeakPolarHBondContact O-CD2 3.45Å; L320-F324 WeakPolarHBondContact O-CG 3.35Å; L320-F324 PolarHBondContact O-N 2.03Å
321R81.3Confident79Confident116 Ų11659.1 Ų59.144%0.43830%0.3SS..Hα-helixtrans-56-48.3174.4-172.4-179.4170.3-179.5-5.4112.2A314 N317 L318 A323 F324 I325A314-R321 WeakPolarHBondContact O-CB 3.49Å; A314-R321 WeakPolarHBondContact O-CD 3.39Å; A314-R321 WeakPolarHBondContact O-CG 3.44Å; N317-R321 PolarHBondContact O-N 2.87Å; L318-R321 PolarHBondContact O-N 2.9Å; R321-A323 VanDerWaalsContact C-N 3.34Å; R321-A323 PolarHBondContact O-N 2.82Å; R321-F324 WeakPolarHBondContact O-CB 3.19Å; R321-F324 PolarHBondContact O-N 3.2Å; R321-I325 HydrophobicContact CG-CD1 4.24Å; R321-I325 WeakPolarHBondContact O-CG1 3.11Å; R321-I325 PolarHBondContact O-N 2.03Å
322A79.9Confident78.8Confident33 Ų3357.3 Ų57.327%0.27329%0.29SS..Hα-helixtrans-59.2-47.6176.900000111L318 L320 F324 I325 D326L318-A322 PolarHBondContact O-N 2.77Å; L320-A322 PolarHBondContact O-N 2.88Å; A322-F324 VanDerWaalsContact C-N 3.31Å; A322-F324 PolarHBondContact O-N 2.95Å; A322-I325 PolarHBondContact O-N 3.41Å; A322-I325 VanDerWaalsContact O-N 3.15Å; A322-D326 PolarHBondContact O-N 3.15Å
323A78.9Confident78.7Confident8 Ų858.7 Ų58.77%0.06629%0.294CS..Hα-helixtrans-63.6-32.6177.100000113.5A51 L58 Q319 L320 R321 D326 L327A51-A323 HydrophobicContact CB-CB 3.81Å; L58-A323 HydrophobicContact CD1-CB 3.7Å; Q319-A323 PolarHBondContact O-N 2.83Å; L320-A323 CarbonylContact O-C 3.58Å; L320-A323 PolarHBondContact O-N 3.15Å; R321-A323 VanDerWaalsContact C-N 3.34Å; R321-A323 PolarHBondContact O-N 2.82Å; A323-D326 PolarHBondContact O-N 3.28Å; A323-L327 WeakPolarHBondContact O-CG 3.37Å; A323-L327 PolarHBondContact O-N 2.97Å; A323-L327 VanDerWaalsContact O-N 3.13Å
324F81.6Confident78.5Confident29 Ų2967 Ų6713%0.12733%0.325CS..Hα-helixtrans-64.3-47172-72.6-52.4000111.4C47 V48 A314 L320 R321 A322 D326 L327 M328C47-F324 HydrophobicContact CB-CD1 3.85Å; C47-F324 HydrophobicContact CB-CE1 3.56Å; V48-F324 HydrophobicContact CB-CZ 4.41Å; V48-F324 HydrophobicContact CG2-CE1 4.13Å; V48-F324 HydrophobicContact CG2-CZ 3.6Å; A314-F324 HydrophobicContact CB-CD2 3.96Å; A314-F324 HydrophobicContact CB-CE2 3.88Å; L320-F324 HydrophobicContact CB-CD2 4.44Å; L320-F324 HydrophobicContact CB-CE2 4.05Å; L320-F324 WeakPolarHBondContact O-CD2 3.45Å; L320-F324 WeakPolarHBondContact O-CG 3.35Å; L320-F324 PolarHBondContact O-N 2.03Å; R321-F324 WeakPolarHBondContact O-CB 3.19Å; R321-F324 PolarHBondContact O-N 3.2Å; A322-F324 VanDerWaalsContact C-N 3.31Å; A322-F324 PolarHBondContact O-N 2.95Å; F324-D326 PolarHBondContact O-N 3.27Å; F324-L327 PolarHBondContact O-N 3.23Å; F324-M328 WeakPolarHBondContact O-CG 3.23Å; F324-M328 PolarHBondContact O-N 3.12Å
325I79.9Confident78.6Confident34 Ų3472.7 Ų72.717%0.17435%0.346CS..Hα-helixtrans-59.2-39.7176.9-64.1168.9000109.8R321 A322 L327 M328 R333 L338R321-I325 HydrophobicContact CG-CD1 4.24Å; R321-I325 WeakPolarHBondContact O-CG1 3.11Å; R321-I325 PolarHBondContact O-N 2.03Å; A322-I325 PolarHBondContact O-N 3.41Å; A322-I325 VanDerWaalsContact O-N 3.15Å; I325-L327 VanDerWaalsContact C-N 3.29Å; I325-L327 PolarHBondContact O-N 3.14Å; I325-M328 WeakPolarHBondContact O-CB 3.29Å; I325-M328 PolarHBondContact O-N 2.91Å; I325-M328 VanDerWaalsContact O-N 3.16Å; I325-R333 HydrophobicContact CG2-CG 4.32Å; I325-R333 PolarHBondContact O-NE 3.28Å; I325-R333 PolarHBondContact O-NH2 2.89Å; I325-L338 HydrophobicContact CD1-CD2 4.24Å; I325-L338 HydrophobicContact CG1-CD1 4.21Å; I325-L338 HydrophobicContact CG2-CB 4.18Å; I325-L338 HydrophobicContact CG2-CD1 4.32Å
326D80.8Confident78.8Confident111 Ų11172.7 Ų72.759%0.59434%0.342SS*.Hα-helixtrans-61.2-34.1175.8-74.3-19.5000113.5A322 A323 F324 R333A322-D326 PolarHBondContact O-N 3.15Å; A323-D326 PolarHBondContact O-N 3.28Å; F324-D326 PolarHBondContact O-N 3.27Å; D326-R333 PolarHBondContact O-NH2 3.1Å; D326-R333 VanDerWaalsContact O-NH2 3.15Å
327L81.7Confident78.9Confident60 Ų6078.1 Ų78.131%0.31437%0.371SS..Hα-helixtrans-80.7-15.1177.4-69169.8000113.9L50 A51 A323 F324 I325L50-L327 HydrophobicContact CB-CD1 4.15Å; A51-L327 HydrophobicContact CB-CD1 4.06Å; A323-L327 WeakPolarHBondContact O-CG 3.37Å; A323-L327 PolarHBondContact O-N 2.97Å; A323-L327 VanDerWaalsContact O-N 3.13Å; F324-L327 PolarHBondContact O-N 3.23Å; I325-L327 VanDerWaalsContact C-N 3.29Å; I325-L327 PolarHBondContact O-N 3.14Å
328M83.8Confident78.6Confident48 Ų4879.6 Ų79.624%0.23638%0.379CS..SBendtrans-71.7142.4-177.4-71.9170.966.100112.2F324 I325 L332 L336 L338F324-M328 WeakPolarHBondContact O-CG 3.23Å; F324-M328 PolarHBondContact O-N 3.12Å; I325-M328 WeakPolarHBondContact O-CB 3.29Å; I325-M328 PolarHBondContact O-N 2.91Å; I325-M328 VanDerWaalsContact O-N 3.16Å; M328-L332 HydrophobicContact CE-CB 4.28Å; M328-L332 HydrophobicContact CE-CD2 3.52Å; M328-L332 HydrophobicContact CE-CG 3.51Å; M328-L336 HydrophobicContact CE-CD1 3.41Å; M328-L336 VanDerWaalsContact CE-CD1 3.41Å; M328-L338 HydrophobicContact CE-CD1 4.24Å; M328-L338 HydrophobicContact SD-CD1 4.33Å
329P82.1Confident77.9Confident62 Ų6280.5 Ų80.540%0.40338%0.381SS..  trans-56.4145173.5-23.532.7000112.2W331 L332 R333P329-W331 VanDerWaalsContact C-N 3.25Å; P329-W331 HydrophobicContact CB-CD2 4.41Å; P329-W331 HydrophobicContact CB-CG 4.24Å; P329-W331 HydrophobicContact CB-CZ2 4.42Å; P329-W331 HydrophobicContact CG-CZ2 4.36Å; P329-W331 PolarHBondContact O-N 3.33Å; P329-L332 PolarHBondContact O-N 3.4Å; P329-R333 PolarHBondContact O-N 2.74Å
330H76Confident76.6Confident131 Ų13181 Ų8161%0.60640%0.403SS*.Hα-helixtrans-57-37-176-161.9-55.1000113.2L332 R333 R334 E339H330-L332 VanDerWaalsContact C-N 3.34Å; H330-L332 PolarHBondContact O-N 3.4Å; H330-R333 PolarHBondContact O-N 3.24Å; H330-R334 WeakPolarHBondContact O-CB 3.22Å; H330-R334 PolarHBondContact O-N 2.82Å; H330-E339 IonicContact CE1-OE1 2.82Å; H330-E339 PolarHBondContact CE1-OE1 3.45Å; H330-E339 IonicContact ND1-OE1 2.88Å; H330-E339 PolarHBondContact ND1-OE1 2.93Å; H330-E339 IonicContact NE2-OE1 3.25Å
331W80.3Confident74.9Confident184 Ų18485 Ų8570%0.69742%0.424SS*.Hα-helixtrans-64.1-38177.262-97.4000112.5P329 H335P329-W331 VanDerWaalsContact C-N 3.25Å; P329-W331 HydrophobicContact CB-CD2 4.41Å; P329-W331 HydrophobicContact CB-CG 4.24Å; P329-W331 HydrophobicContact CB-CZ2 4.42Å; P329-W331 HydrophobicContact CG-CZ2 4.36Å; P329-W331 PolarHBondContact O-N 3.33Å; W331-H335 WeakPolarHBondContact O-CB 3.38Å; W331-H335 PolarHBondContact O-N 3.36Å
332L80.6Confident72.9Confident49 Ų4988 Ų8826%0.25745%0.449SS..Hα-helixtrans-76.4-37-179.6-171.860.2000111.1M328 P329 H330 R334 H335 L336M328-L332 HydrophobicContact CE-CB 4.28Å; M328-L332 HydrophobicContact CE-CD2 3.52Å; M328-L332 HydrophobicContact CE-CG 3.51Å; P329-L332 PolarHBondContact O-N 3.4Å; H330-L332 VanDerWaalsContact C-N 3.34Å; H330-L332 PolarHBondContact O-N 3.4Å; L332-R334 VanDerWaalsContact C-N 3.33Å; L332-R334 PolarHBondContact O-N 2.88Å; L332-H335 PolarHBondContact O-N 3.33Å; L332-L336 HydrophobicContact CD1-CD1 4.27Å; L332-L336 HydrophobicContact CD1-CG 4.44Å; L332-L336 HydrophobicContact CG-CD1 4.17Å; L332-L336 WeakPolarHBondContact O-CB 3.47Å; L332-L336 WeakPolarHBondContact O-CG 3.47Å; L332-L336 PolarHBondContact O-N 3.47Å
333R80.5Confident70.7Confident59 Ų5991 Ų9122%0.22347%0.468CS..Hα-helixtrans-60.9-43.3173.6-166.4-176.2-68.7172.48111.6I325 D326 P329 H330 L336 N337 L338 E339I325-R333 HydrophobicContact CG2-CG 4.32Å; I325-R333 PolarHBondContact O-NE 3.28Å; I325-R333 PolarHBondContact O-NH2 2.89Å; D326-R333 PolarHBondContact O-NH2 3.1Å; D326-R333 VanDerWaalsContact O-NH2 3.15Å; P329-R333 PolarHBondContact O-N 2.74Å; H330-R333 PolarHBondContact O-N 3.24Å; R333-L336 PolarHBondContact O-N 3.49Å; R333-N337 PolarHBondContact O-N 2.91Å; R333-L338 HydrophobicContact CG-CB 3.67Å; R333-L338 PolarHBondContact O-N 2.98Å; R333-E339 HydrophobicContact CG-CG 4.01Å
334R76.6Confident68.5Low173 Ų17393.8 Ų93.865%0.65349%0.486SS*.Hα-helixtrans-65.2-43.2175.8-172172.7178.1175.40.6112H330 L332 L336 N337H330-R334 WeakPolarHBondContact O-CB 3.22Å; H330-R334 PolarHBondContact O-N 2.82Å; L332-R334 VanDerWaalsContact C-N 3.33Å; L332-R334 PolarHBondContact O-N 2.88Å; R334-L336 VanDerWaalsContact C-N 3.31Å; R334-L336 PolarHBondContact O-N 3.26Å; R334-N337 PolarHBondContact O-N 3.35Å
335H79.8Confident66.3Low152 Ų15297.5 Ų97.570%0.70451%0.514SS*.Hα-helixtrans-64-35.1178.5-167.369.4000113W331 L332 N337W331-H335 WeakPolarHBondContact O-CB 3.38Å; W331-H335 PolarHBondContact O-N 3.36Å; L332-H335 PolarHBondContact O-N 3.33Å; H335-N337 VanDerWaalsContact C-N 3.3Å; H335-N337 PolarHBondContact O-N 3.26Å
336L79.4Confident64.1Low92 Ų92100.2 Ų100.248%0.48253%0.528SS..THydrogen-bonded Turntrans-86.56.8178.5-64.5173.9000113.8M328 L332 R333 R334 L338M328-L336 HydrophobicContact CE-CD1 3.41Å; M328-L336 VanDerWaalsContact CE-CD1 3.41Å; L332-L336 HydrophobicContact CD1-CD1 4.27Å; L332-L336 HydrophobicContact CD1-CG 4.44Å; L332-L336 HydrophobicContact CG-CD1 4.17Å; L332-L336 WeakPolarHBondContact O-CB 3.47Å; L332-L336 WeakPolarHBondContact O-CG 3.47Å; L332-L336 PolarHBondContact O-N 3.47Å; R333-L336 PolarHBondContact O-N 3.49Å; R334-L336 VanDerWaalsContact C-N 3.31Å; R334-L336 PolarHBondContact O-N 3.26Å; L336-L338 HydrophobicContact CB-CD1 3.66Å; L336-L338 HydrophobicContact CB-CG 3.72Å; L336-L338 HydrophobicContact CD1-CD1 3.89Å; L336-L338 HydrophobicContact CG-CD1 4.46Å; L336-L338 PolarHBondContact O-N 2.96Å
337N71.9Confident61.9Low144 Ų144100.2 Ų100.277%0.7753%0.527SS*.THydrogen-bonded Turntrans52.434.1-175.5-67.9-36.7000113.7R333 R334 H335 E339R333-N337 PolarHBondContact O-N 2.91Å; R334-N337 PolarHBondContact O-N 3.35Å; H335-N337 VanDerWaalsContact C-N 3.3Å; H335-N337 PolarHBondContact O-N 3.26Å; N337-E339 VanDerWaalsContact C-N 3.32Å
338L70.4Confident59.4Low54 Ų54104 Ų10428%0.28355%0.548SS..THydrogen-bonded Turntrans-88.33.5-177.9-65.3171.1000113I325 M328 R333 L336 G340I325-L338 HydrophobicContact CD1-CD2 4.24Å; I325-L338 HydrophobicContact CG1-CD1 4.21Å; I325-L338 HydrophobicContact CG2-CB 4.18Å; I325-L338 HydrophobicContact CG2-CD1 4.32Å; M328-L338 HydrophobicContact CE-CD1 4.24Å; M328-L338 HydrophobicContact SD-CD1 4.33Å; R333-L338 HydrophobicContact CG-CB 3.67Å; R333-L338 PolarHBondContact O-N 2.98Å; L336-L338 HydrophobicContact CB-CD1 3.66Å; L336-L338 HydrophobicContact CB-CG 3.72Å; L336-L338 HydrophobicContact CD1-CD1 3.89Å; L336-L338 HydrophobicContact CG-CD1 4.46Å; L336-L338 PolarHBondContact O-N 2.96Å; L338-G340 VanDerWaalsContact C-N 3.25Å; L338-G340 PolarHBondContact O-N 2.8Å
339E59.3Low56.8Low92 Ų92109.5 Ų109.543%0.4357%0.573SS.*THydrogen-bonded Turntrans-79.1-2.3179.3-74.2177.3152.200113.9H330 R333 N337H330-E339 IonicContact CE1-OE1 2.82Å; H330-E339 PolarHBondContact CE1-OE1 3.45Å; H330-E339 IonicContact ND1-OE1 2.88Å; H330-E339 PolarHBondContact ND1-OE1 2.93Å; H330-E339 IonicContact NE2-OE1 3.25Å; R333-E339 HydrophobicContact CG-CG 4.01Å; N337-E339 VanDerWaalsContact C-N 3.32Å
340G48.7Very low54.6Low71 Ų71111.9 Ų111.973%0.73259%0.588SS**  trans-115.653.8-171.900000115.5L338L338-G340 VanDerWaalsContact C-N 3.25Å; L338-G340 PolarHBondContact O-N 2.8Å
341D39.4Very low52.4Low84 Ų84111.7 Ų111.745%0.44960%0.596SS.*  trans-157.964.9157-160.619.5000113.2S343 S344D341-S343 PolarHBondContact O-N 3.32Å; D341-S343 VanDerWaalsContact O-N 3.09Å; D341-S343 WeakPolarHBondContact OD1-CA 3.23Å; D341-S343 WeakPolarHBondContact OD1-CB 3.42Å; D341-S343 PolarHBondContact OD1-N 2.93Å; D341-S343 PolarHBondContact OD1-OG 2.94Å; D341-S344 PolarHBondContact OD1-N 3.16Å; D341-S344 PolarHBondContact OD2-OG 3.17Å
342N38.8Very low49.8Very low179 Ų179111.7 Ų111.796%0.95761%0.606SS**THydrogen-bonded Turntrans-69.913.3159.8-88-17.3000112.4
343S34.5Very low47.2Very low95 Ų95114.5 Ų114.566%0.66463%0.626SS**THydrogen-bonded Turntrans-119.423-176.837.40000113.2D341 P345D341-S343 PolarHBondContact O-N 3.32Å; D341-S343 VanDerWaalsContact O-N 3.09Å; D341-S343 WeakPolarHBondContact OD1-CA 3.23Å; D341-S343 WeakPolarHBondContact OD1-CB 3.42Å; D341-S343 PolarHBondContact OD1-N 2.93Å; D341-S343 PolarHBondContact OD1-OG 2.94Å; S343-P345 WeakPolarHBondContact O-CD 3.3Å
344S33.7Very low44.7Very low66 Ų66118.8 Ų118.846%0.46265%0.652SS.*  trans-79109.2166.2-90.50000110.5D341 L346D341-S344 PolarHBondContact OD1-N 3.16Å; D341-S344 PolarHBondContact OD2-OG 3.17Å; S344-L346 PolarHBondContact O-N 2.84Å
345P34.4Very low42.4Very low107 Ų107116 Ų11670%0.69565%0.653SS**THydrogen-bonded Turntrans-72.313.7-17630.8-34.9000114.2S343S343-P345 WeakPolarHBondContact O-CD 3.3Å
346L34.6Very low40.1Very low91 Ų91116.1 Ų116.148%0.47666%0.66SS.*THydrogen-bonded Turntrans-89.4-7.7-170.4-81.1159.8000114.9L318 S344L318-L346 HydrophobicContact CD1-CD1 3.95Å; S344-L346 PolarHBondContact O-N 2.84Å
347L34.1Very low37.6Very low111 Ų111121 Ų12158%0.58168%0.677SS**SBendtrans-107.7-10.2173.4-97.6104.1000114.6H349L347-H349 PolarHBondContact O-N 3.37Å
348N28.3Very low35.6Very low139 Ų139119.9 Ų119.974%0.74368%0.677SS**  trans-97.274.9179.2-73.2-11.5000111.1
349H29Very low33.5Very low165 Ų165122.7 Ų122.776%0.76470%0.702SS**  trans-124.5109.4150.2-101.3-60.2000108.2L347L347-H349 PolarHBondContact O-N 3.37Å
350P36.7Very low32.1Very low111 Ų111127.7 Ų127.772%0.72172%0.722SS**  trans-68.8135.5170.321.4-18.7000109M352P350-M352 PolarHBondContact O-N 2.66Å
351T29.3Very low31.2Very low127 Ų127133 Ų13378%0.77973%0.728SS**  trans-37.7120160.8-35.30000109.3T353T351-T353 VanDerWaalsContact C-N 3.26Å; T351-T353 PolarHBondContact O-N 3.48Å
352M25.9Very low30.7Very low185 Ų185136.8 Ų136.891%0.91174%0.742SS**  trans-64.191.8167.9-87.3-176.4170.200108.2P350 I354P350-M352 PolarHBondContact O-N 2.66Å; M352-I354 PolarHBondContact O-N 3.28Å
353T26.5Very low30.3Very low108 Ų108135.2 Ų135.266%0.66374%0.739SS**  trans-76105.4159.3-38.50000106.1T351 T355T351-T353 VanDerWaalsContact C-N 3.26Å; T351-T353 PolarHBondContact O-N 3.48Å; T353-T355 VanDerWaalsContact C-N 3.26Å; T353-T355 HydrophobicContact CG2-CG2 4.17Å; T353-T355 PolarHBondContact O-N 3.16Å
354I28.5Very low30.2Very low149 Ų149137.8 Ų137.876%0.76475%0.745SS**  trans-66.793168.1-60.5173.6000106.2M352M352-I354 PolarHBondContact O-N 3.28Å
355T27.9Very low30Very low113 Ų113142.6 Ų142.669%0.69376%0.764SS**  trans-88.2101.9166.743.20000107.7T353 K357T353-T355 VanDerWaalsContact C-N 3.26Å; T353-T355 HydrophobicContact CG2-CG2 4.17Å; T353-T355 PolarHBondContact O-N 3.16Å; T355-K357 PolarHBondContact O-N 2.99Å; T355-K357 VanDerWaalsContact O-N 3.08Å
356N30.7Very low30Very low156 Ų156143 Ų14383%0.83477%0.767SS**  trans-59.7109.8163.3-88.3-15.1000108.1
357K27.1Very low29.8Very low194 Ų194143.3 Ų143.384%0.84378%0.782SS**  trans-111.6131.7163.3-115.5-177.5179.7179.20108.5T355T355-K357 PolarHBondContact O-N 2.99Å; T355-K357 VanDerWaalsContact O-N 3.08Å
358P29.4Very low29.5Very low120 Ų120147.3 Ų147.378%0.77980%0.8SS**  trans-74139.3-175.430.4-32.4000110.4K360P358-K360 PolarHBondContact O-N 3.14Å
359S27.8Very low29.7Very low114 Ų114147.9 Ų147.980%0.79780%0.803SS**  trans-63.2114.6174.449.10000110.7Q361S359-Q361 PolarHBondContact O-N 3.05Å
360K29.7Very low29.7Very low196 Ų196146.7 Ų146.785%0.85280%0.803SS**  trans-74.1111.6160.7-77.3-174173.6-1730108.4P358P358-K360 PolarHBondContact O-N 3.14Å
361Q30Very low29.5Very low184 Ų184149 Ų14986%0.8680%0.803SS**  trans-80.4128.6161.1-85172.4-25.500108.7S359S359-Q361 PolarHBondContact O-N 3.05Å
362H28.9Very low29.6Very low162 Ų162148.8 Ų148.875%0.7580%0.802SS**  trans-135.9111.1158.2-98.7-72.3000107.8
363T30.4Very low29.9Very low146 Ų146144.9 Ų144.990%0.89679%0.792SS**  trans-144.2111.6146.5-26.70000107.8
364L30.7Very low30.1Very low149 Ų149147.1 Ų147.178%0.7880%0.795SS**  trans-72.7143.8167.4-77.8134.9000109.9
365I29.7Very low30.2Very low167 Ų167148.1 Ų148.186%0.85680%0.796SS**  trans-159.3145.3134-66.2-156.2000107.6
366P35.5Very low30.7Very low117 Ų117152.8 Ų152.876%0.7682%0.824SS**  trans-105.8165.6-149.439.4-31.3000117.3
367A29.7Very low30.8Very low97 Ų97152.7 Ų152.780%0.80282%0.824SS**  trans14.7126.6155.900000121.5
368M28.6Very low30.9Very low194 Ų194150.5 Ų150.596%0.95682%0.823SS**  trans-152.2129.2139.1-110.7-179.3140.300110.2
369D31.1Very low31Very low151 Ų151152.2 Ų152.281%0.80783%0.825SS**  trans-66.2145.7176.7-66.2-53.6000113.1
370N29.1Very low31.2Very low141 Ų141154.4 Ų154.475%0.75483%0.827SS**  165.8124114.4-97.3-19.7000113.4
371H32.5Very low31.3Very low159 Ų159151.8 Ų151.874%0.73683%0.825SS**  51.3122.4128.1-85.8-78.1000122.7
372T32.9Very low31.4Very low122 Ų122149.7 Ų149.775%0.74882%0.823SS**  trans82134.3132.339.90000123.6
373C31.6Very low31.6Very low104 Ų104148.8 Ų148.870%0.70383%0.828SS**  trans96.3107.8140-82.50000121.7
374Q29.6Very low31.7Very low155 Ų155149 Ų14972%0.72482%0.823SS**  57.5133.1115.6-91.8179.4-33.100122.7
375Q32.2Very low31.8Very low169 Ų169149 Ų14979%0.7983%0.827SS**  trans69.6133.7148-65.1177.7-20.200115.5
376V38.8Very low32Very low212 Ų212147.4 Ų147.4100%1.28582%0.824SS**  cis-147.5043.7167.30000110.2

Retrieved 376 of 376 residues in 150.8 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).