A0A077Z9W7_TRITR Loading...

DB module

AlphaFold DB , UniProt , Accession A0A077Z9W7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 212 aa.

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

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
1M45.1Very low57.4Low235 Ų235145.8 Ų145.8100%1.15873%0.727SS**  070.80-71.7165.113200110.4
2T51.1Low59.4Low135 Ų135137.9 Ų137.983%0.82870%0.702SS**  trans-127.424.6-167.637.90000114.2
3K51Low61.2Low187 Ų187138.1 Ų138.181%0.81370%0.695SS**  trans-100.24.9178.5-73-169.7177.3-178.50115.5
4F51.8Low63Low186 Ų186136.4 Ų136.482%0.81669%0.687SS**SBendtrans-88.4-14.8-179.2-84-81.4000115.1
5W50.6Low64.6Low243 Ų243133.5 Ų133.592%0.9267%0.673SS**SBendtrans-85-13.7-174.2-8076.8000115.4
6A53.4Low65.9Low81 Ų81136.5 Ų136.567%0.66967%0.674SS**SBendtrans-87.4-21.6-175.300000114.5
7I55.7Low67Low109 Ų109133 Ų13356%0.55966%0.658SS**SBendtrans-87.3-21.5-172-57.5171.7000112.3R9 P10 I11I7-R9 PolarHBondContact O-N 3.36Å; I7-P10 VanDerWaalsContact O-CD 3.27Å; I7-P10 WeakPolarHBondContact O-CD 3.38Å; I7-P10 WeakPolarHBondContact O-CG 3.22Å; I7-I11 HydrophobicContact CG2-CD1 4.05Å
8G56.1Low67.9Low47 Ų47128.1 Ų128.149%0.48564%0.642SS.*Hα-helixtrans-70.9-29.6-17700000114.9A12G8-A12 PolarHBondContact O-N 2.94Å
9R61.8Low68.6Low219 Ų219127.1 Ų127.183%0.82664%0.638SS**Hα-helixtrans-67.2-46.6-176.5-121.3-179.5-177.5-1671114.5I7 F13I7-R9 PolarHBondContact O-N 3.36Å; R9-F13 PolarHBondContact O-N 3.38Å
10P74.5Confident69.1Low70 Ų70126.5 Ų126.546%0.45564%0.636SS.*Hα-helixtrans-67-37.617824.1-34000112.5I7 A12 F13 I14I7-P10 VanDerWaalsContact O-CD 3.27Å; I7-P10 WeakPolarHBondContact O-CD 3.38Å; I7-P10 WeakPolarHBondContact O-CG 3.22Å; P10-A12 PolarHBondContact O-N 2.79Å; P10-F13 WeakPolarHBondContact O-CB 3.38Å; P10-F13 PolarHBondContact O-N 3.2Å; P10-I14 WeakPolarHBondContact O-CG1 3.25Å; P10-I14 PolarHBondContact O-N 2.91Å
11I80.1Confident69.4Low92 Ų92125.6 Ų125.647%0.47263%0.633SS.*Hα-helixtrans-63.7-45.8180-60.5173.6000110.5I7 F13 I14 I15I7-I11 HydrophobicContact CG2-CD1 4.05Å; I11-F13 PolarHBondContact O-N 3.18Å; I11-I14 PolarHBondContact O-N 3.34Å; I11-I15 HydrophobicContact CG2-CD1 3.8Å; I11-I15 HydrophobicContact CG2-CG1 4.43Å; I11-I15 VanDerWaalsContact O-CG1 3.29Å; I11-I15 WeakPolarHBondContact O-CG1 3.37Å; I11-I15 PolarHBondContact O-N 2.73Å
12A81.2Confident70.5Confident51 Ų51119.7 Ų119.742%0.42161%0.605SS.*Hα-helixtrans-61.2-34176.500000112.7G8 P10 R16G8-A12 PolarHBondContact O-N 2.94Å; P10-A12 PolarHBondContact O-N 2.79Å; A12-R16 WeakPolarHBondContact O-CG 3.33Å; A12-R16 PolarHBondContact O-N 3.3Å
13F82.8Confident71.1Confident140 Ų140116.1 Ų116.161%0.61459%0.59SS**Hα-helixtrans-70.2-43.8177.6-154-97.7000111.9R9 P10 I11 I15 R16 I17R9-F13 PolarHBondContact O-N 3.38Å; P10-F13 WeakPolarHBondContact O-CB 3.38Å; P10-F13 PolarHBondContact O-N 3.2Å; I11-F13 PolarHBondContact O-N 3.18Å; F13-I15 VanDerWaalsContact C-N 3.34Å; F13-I15 PolarHBondContact O-N 2.89Å; F13-R16 PolarHBondContact O-N 3.4Å; F13-I17 HydrophobicContact CD1-CD1 3.62Å; F13-I17 HydrophobicContact CD1-CG1 4.28Å; F13-I17 HydrophobicContact CE1-CD1 3.64Å; F13-I17 HydrophobicContact CE1-CG1 4.3Å; F13-I17 WeakPolarHBondContact O-CG1 3.09Å; F13-I17 PolarHBondContact O-N 3.19Å
14I87.4Confident71.6Confident114 Ų114110.6 Ų110.659%0.58557%0.573SS**Hα-helixtrans-62-43.2175.7-65.6167000110.5P10 I11 R16 I17 A18P10-I14 WeakPolarHBondContact O-CG1 3.25Å; P10-I14 PolarHBondContact O-N 2.91Å; I11-I14 PolarHBondContact O-N 3.34Å; I14-R16 VanDerWaalsContact C-N 3.34Å; I14-R16 PolarHBondContact O-N 3.29Å; I14-I17 PolarHBondContact O-N 3.02Å; I14-A18 WeakPolarHBondContact O-CB 3.36Å; I14-A18 PolarHBondContact O-N 3.43Å
15I86.8Confident71.8Confident93 Ų93109.3 Ų109.348%0.47757%0.57SS.*Hα-helixtrans-61.9-42176.8-67.1167.7000111I11 F13 A18 L19I11-I15 HydrophobicContact CG2-CD1 3.8Å; I11-I15 HydrophobicContact CG2-CG1 4.43Å; I11-I15 VanDerWaalsContact O-CG1 3.29Å; I11-I15 WeakPolarHBondContact O-CG1 3.37Å; I11-I15 PolarHBondContact O-N 2.73Å; F13-I15 VanDerWaalsContact C-N 3.34Å; F13-I15 PolarHBondContact O-N 2.89Å; I15-A18 PolarHBondContact O-N 3.17Å; I15-L19 HydrophobicContact CG2-CD1 3.91Å; I15-L19 HydrophobicContact CG2-CG 4.45Å; I15-L19 WeakPolarHBondContact O-CB 3.49Å; I15-L19 WeakPolarHBondContact O-CG 3.35Å; I15-L19 PolarHBondContact O-N 2.95Å
16R84.7Confident71.9Confident182 Ų182100.5 Ų100.569%0.68755%0.549SS*.Hα-helixtrans-63.6-41.8175.8-79.6-174.7-179.4-160.70.3112.4A12 F13 I14 L19 L20A12-R16 WeakPolarHBondContact O-CG 3.33Å; A12-R16 PolarHBondContact O-N 3.3Å; F13-R16 PolarHBondContact O-N 3.4Å; I14-R16 VanDerWaalsContact C-N 3.34Å; I14-R16 PolarHBondContact O-N 3.29Å; R16-L19 PolarHBondContact O-N 2.04Å; R16-L20 WeakPolarHBondContact O-CB 3.38Å; R16-L20 PolarHBondContact O-N 3.31Å
17I85.5Confident71.9Confident77 Ų77103.2 Ų103.240%0.39555%0.552SS.*Hα-helixtrans-64-45.2175.6-68.6172.8000110.1F13 I14 L19 L20 L21F13-I17 HydrophobicContact CD1-CD1 3.62Å; F13-I17 HydrophobicContact CD1-CG1 4.28Å; F13-I17 HydrophobicContact CE1-CD1 3.64Å; F13-I17 HydrophobicContact CE1-CG1 4.3Å; F13-I17 WeakPolarHBondContact O-CG1 3.09Å; F13-I17 PolarHBondContact O-N 3.19Å; I14-I17 PolarHBondContact O-N 3.02Å; I17-L19 VanDerWaalsContact C-N 3.34Å; I17-L19 PolarHBondContact O-N 3.48Å; I17-L20 WeakPolarHBondContact O-CB 3.35Å; I17-L20 PolarHBondContact O-N 3.17Å; I17-L21 HydrophobicContact CG2-CD1 3.89Å; I17-L21 HydrophobicContact CG2-CG 4.21Å; I17-L21 WeakPolarHBondContact O-CG 3.5Å; I17-L21 PolarHBondContact O-N 3.21Å
18A83.1Confident72.1Confident45 Ų45108.1 Ų108.137%0.37256%0.563SS.*Hα-helixtrans-60.9-42.417800000112I14 I15 L21 L22I14-A18 WeakPolarHBondContact O-CB 3.36Å; I14-A18 PolarHBondContact O-N 3.43Å; I15-A18 PolarHBondContact O-N 3.17Å; A18-L21 PolarHBondContact O-N 3.5Å; A18-L22 WeakPolarHBondContact O-CB 3.15Å; A18-L22 WeakPolarHBondContact O-CG 2.96Å; A18-L22 PolarHBondContact O-N 3.47Å
19L81.2Confident72.6Confident109 Ų109107.9 Ų107.957%0.57155%0.549SS*.Hα-helixtrans-64-39.1174.3-75167.2000112.4I15 R16 I17 A23I15-L19 HydrophobicContact CG2-CD1 3.91Å; I15-L19 HydrophobicContact CG2-CG 4.45Å; I15-L19 WeakPolarHBondContact O-CB 3.49Å; I15-L19 WeakPolarHBondContact O-CG 3.35Å; I15-L19 PolarHBondContact O-N 2.95Å; R16-L19 PolarHBondContact O-N 2.04Å; I17-L19 VanDerWaalsContact C-N 3.34Å; I17-L19 PolarHBondContact O-N 3.48Å; L19-A23 WeakPolarHBondContact O-CB 2.95Å; L19-A23 PolarHBondContact O-N 3.06Å
20L78.7Confident73Confident115 Ų115100.2 Ų100.260%0.60253%0.527SS*.Hα-helixtrans-65.1-41.3173.5-90.3155000111.9R16 I17 A23 C24R16-L20 WeakPolarHBondContact O-CB 3.38Å; R16-L20 PolarHBondContact O-N 3.31Å; I17-L20 WeakPolarHBondContact O-CB 3.35Å; I17-L20 PolarHBondContact O-N 3.17Å; L20-A23 CarbonylContact O-C 3.6Å; L20-A23 WeakPolarHBondContact O-CB 2.92Å; L20-A23 PolarHBondContact O-N 3.12Å; L20-C24 WeakPolarHBondContact O-CB 3.45Å; L20-C24 PolarHBondContact O-N 3.2Å; L20-C24 PolarHBondContact O-SG 3.02Å
21L73.9Confident73Confident108 Ų108101.1 Ų101.157%0.56553%0.533SS*.Hα-helixtrans-67.6-41.6177.7-70.3174.2000111.8I17 A18 A23 C24 E25I17-L21 HydrophobicContact CG2-CD1 3.89Å; I17-L21 HydrophobicContact CG2-CG 4.21Å; I17-L21 WeakPolarHBondContact O-CG 3.5Å; I17-L21 PolarHBondContact O-N 3.21Å; A18-L21 PolarHBondContact O-N 3.5Å; L21-A23 VanDerWaalsContact C-N 3.28Å; L21-A23 PolarHBondContact O-N 3.07Å; L21-C24 CarbonylContact O-C 3.57Å; L21-C24 WeakPolarHBondContact O-CA 3.2Å; L21-C24 WeakPolarHBondContact O-CB 3.13Å; L21-C24 PolarHBondContact O-N 2.7Å; L21-E25 PolarHBondContact O-N 3.4Å
22L68.8Low73Confident111 Ų11198.3 Ų98.358%0.58152%0.521SS*.Hα-helixtrans-61.4-36.7171.7-77.1162.1000111.7A18 C24 A26A18-L22 WeakPolarHBondContact O-CB 3.15Å; A18-L22 WeakPolarHBondContact O-CG 2.96Å; A18-L22 PolarHBondContact O-N 3.47Å; L22-C24 VanDerWaalsContact C-N 3.34Å; L22-A26 PolarHBondContact O-N 2.99Å
23A64.4Low72.6Confident60 Ų6099.4 Ų99.450%0.49653%0.526SS..Hα-helixtrans-70.8-28.9172.100000112.8L19 L20 L21 A26L19-A23 WeakPolarHBondContact O-CB 2.95Å; L19-A23 PolarHBondContact O-N 3.06Å; L20-A23 CarbonylContact O-C 3.6Å; L20-A23 WeakPolarHBondContact O-CB 2.92Å; L20-A23 PolarHBondContact O-N 3.12Å; L21-A23 VanDerWaalsContact C-N 3.28Å; L21-A23 PolarHBondContact O-N 3.07Å; A23-A26 CarbonylContact O-C 3.56Å; A23-A26 WeakPolarHBondContact O-CA 3.32Å; A23-A26 WeakPolarHBondContact O-CB 2.99Å; A23-A26 PolarHBondContact O-N 2.98Å
24C60.6Low71.9Confident70 Ų7096.9 Ų96.947%0.47351%0.513SS..Hα-helixtrans-74.4-35.7175.3-770000112.8L20 L21 L22 A26 L27L20-C24 WeakPolarHBondContact O-CB 3.45Å; L20-C24 PolarHBondContact O-N 3.2Å; L20-C24 PolarHBondContact O-SG 3.02Å; L21-C24 CarbonylContact O-C 3.57Å; L21-C24 WeakPolarHBondContact O-CA 3.2Å; L21-C24 WeakPolarHBondContact O-CB 3.13Å; L21-C24 PolarHBondContact O-N 2.7Å; L22-C24 VanDerWaalsContact C-N 3.34Å; C24-A26 PolarHBondContact O-N 2.82Å; C24-L27 WeakPolarHBondContact O-CB 3.38Å; C24-L27 PolarHBondContact O-N 2.94Å
25E56.2Low71.1Confident160 Ų16092.8 Ų92.875%0.74849%0.493SS*.Hα-helixtrans-63.4-23.7168-78.2-174.7158.700111.5L21 L27L21-E25 PolarHBondContact O-N 3.4Å; E25-L27 PolarHBondContact O-N 3.11Å
26A53.5Low70.4Confident57 Ų5789.2 Ų89.247%0.47148%0.479SS..THydrogen-bonded Turntrans-80.111.1168.100000114.6L22 A23 C24 R28L22-A26 PolarHBondContact O-N 2.99Å; A23-A26 CarbonylContact O-C 3.56Å; A23-A26 WeakPolarHBondContact O-CA 3.32Å; A23-A26 WeakPolarHBondContact O-CB 2.99Å; A23-A26 PolarHBondContact O-N 2.98Å; C24-A26 PolarHBondContact O-N 2.82Å; A26-R28 PolarHBondContact O-N 2.04Å
27L52.5Low70.1Confident139 Ų13982.7 Ų82.773%0.72846%0.461SS*.  trans-6758149.8-92.298.8000109.1C24 E25 F29C24-L27 WeakPolarHBondContact O-CB 3.38Å; C24-L27 PolarHBondContact O-N 2.94Å; E25-L27 PolarHBondContact O-N 3.11Å; L27-F29 PolarHBondContact O-N 2.84Å
28R60.9Low69.1Low211 Ų21181.2 Ų81.280%0.79646%0.464SS*.PPolyproline II helixtrans-53.2135.7167.9-75.2177.7175.6165-1.5106.6A26A26-R28 PolarHBondContact O-N 2.04Å
29F65.8Low68.6Low43 Ų4382.2 Ų82.219%0.18946%0.459CS..PPolyproline II helixtrans-50.2129.9168.9-169.1-101000108.7L27 V35 R44 M45 Q48 C49L27-F29 PolarHBondContact O-N 2.84Å; F29-V35 HydrophobicContact CE1-CG2 3.98Å; F29-V35 HydrophobicContact CZ-CG2 4.16Å; F29-R44 HydrophobicContact CD2-CG 4.12Å; F29-R44 HydrophobicContact CE2-CG 3.75Å; F29-M45 HydrophobicContact CE1-SD 3.66Å; F29-M45 HydrophobicContact CZ-SD 3.6Å; F29-Q48 HydrophobicContact CD1-CB 3.98Å; F29-Q48 HydrophobicContact CE1-CB 4.34Å; F29-Q48 HydrophobicContact CG-CB 4.16Å; F29-C49 WeakPolarHBondContact CE1-SG 3.43Å
30P71.5Confident68.4Low58 Ų5877.8 Ų77.838%0.37744%0.437SS..PPolyproline II helixtrans-56.2149.8-179.521.2-31.4000110.1C32 Y34 V35P30-C32 PolarHBondContact O-N 2.93Å; P30-Y34 HydrophobicContact CB-CD1 4.26Å; P30-V35 HydrophobicContact CB-CG2 4.14Å; P30-V35 HydrophobicContact CG-CG2 3.59Å
31P74.6Confident68Low89 Ų8974.7 Ų74.758%0.57843%0.433SS*.PPolyproline II helixtrans-50.6136.2179.3-24.331.8000111.1S33 Y34 V35P31-S33 PolarHBondContact O-N 3.39Å; P31-S33 VanDerWaalsContact O-N 3.07Å; P31-Y34 WeakPolarHBondContact O-CA 3.4Å; P31-Y34 WeakPolarHBondContact O-CB 3.48Å; P31-Y34 PolarHBondContact O-N 3.39Å; P31-V35 PolarHBondContact O-N 3.03Å
32C78.9Confident67.9Low32 Ų3272.6 Ų72.622%0.21643%0.425CS..Hα-helixtrans-55-33.9-173.2-54.10000113.6P30 Y34 V35 G36 M45 C49 F52P30-C32 PolarHBondContact O-N 2.93Å; C32-Y34 VanDerWaalsContact C-N 3.31Å; C32-Y34 PolarHBondContact O-N 2.91Å; C32-V35 PolarHBondContact O-N 3.1Å; C32-G36 PolarHBondContact O-N 3.12Å; C32-M45 HydrophobicContact CB-CE 4.14Å; C32-C49 WeakPolarHBondContact CA-SG 3.38Å; C32-C49 HydrophobicContact CB-CB 3.59Å; C32-C49 WeakPolarHBondContact CB-SG 3.31Å; C32-C49 WeakPolarHBondContact SG-CA 3.36Å; C32-C49 WeakPolarHBondContact SG-CB 3.3Å; C32-C49 CovalentContact SG-SG 2.01Å; C32-C49 PolarHBondContact SG-SG 2.93Å; C32-F52 HydrophobicContact CB-CB 3.54Å; C32-F52 HydrophobicContact CB-CD1 4Å; C32-F52 HydrophobicContact CB-CD2 4.03Å; C32-F52 HydrophobicContact CB-CG 3.58Å; C32-F52 WeakPolarHBondContact O-CE1 3.31Å
33S72.5Confident68.1Low74 Ų7476.7 Ų76.752%0.51743%0.432SS..Hα-helixtrans-62.8-33.2174.649.80000113.6P31P31-S33 PolarHBondContact O-N 3.39Å; P31-S33 VanDerWaalsContact O-N 3.07Å
34Y68.3Low68.6Low88 Ų8881 Ų8135%0.34544%0.436SS..Hα-helixtrans-77-32.8179.9-173.4-97.6000112.6P30 P31 C32 K198P30-Y34 HydrophobicContact CB-CD1 4.26Å; P31-Y34 WeakPolarHBondContact O-CA 3.4Å; P31-Y34 WeakPolarHBondContact O-CB 3.48Å; P31-Y34 PolarHBondContact O-N 3.39Å; C32-Y34 VanDerWaalsContact C-N 3.31Å; C32-Y34 PolarHBondContact O-N 2.91Å; Y34-K198 PolarHBondContact O-NZ 2.85Å
35V71Confident69.4Low27 Ų2777.8 Ų77.816%0.16441%0.414CS..Hα-helixtrans-72.3-42.7174.3-174.20000110.2F29 P30 P31 C32 Y39 M45F29-V35 HydrophobicContact CE1-CG2 3.98Å; F29-V35 HydrophobicContact CZ-CG2 4.16Å; P30-V35 HydrophobicContact CB-CG2 4.14Å; P30-V35 HydrophobicContact CG-CG2 3.59Å; P31-V35 PolarHBondContact O-N 3.03Å; C32-V35 PolarHBondContact O-N 3.1Å; V35-Y39 HydrophobicContact CG1-CD2 3.65Å; V35-Y39 HydrophobicContact CG1-CG 3.77Å; V35-Y39 WeakPolarHBondContact O-CD2 2.88Å; V35-M45 HydrophobicContact CB-CE 3.83Å; V35-M45 HydrophobicContact CB-SD 3.94Å; V35-M45 HydrophobicContact CG1-CE 4Å; V35-M45 HydrophobicContact CG1-SD 3.68Å; V35-M45 HydrophobicContact CG2-SD 4.39Å
36G72.2Confident70.4Confident18 Ų1875.6 Ų75.619%0.18640%0.402CS..  trans78171.3175.500000114.1C32 G38 Y39C32-G36 PolarHBondContact O-N 3.12Å; G36-G38 VanDerWaalsContact C-N 3.26Å; G36-G38 PolarHBondContact O-N 3.32Å; G36-Y39 PolarHBondContact O-N 2.94Å
37C77.5Confident71.7Confident46 Ų4678.8 Ų78.831%0.31141%0.407SS..G310 helixtrans-64.8-23.9-169.6-65.10000115.1Y39 C40 C57C37-Y39 PolarHBondContact O-N 3.1Å; C37-C40 WeakPolarHBondContact O-CB 3.27Å; C37-C40 PolarHBondContact O-N 2.85Å; C37-C57 WeakPolarHBondContact CA-SG 3.49Å; C37-C57 HydrophobicContact CB-CB 3.59Å; C37-C57 WeakPolarHBondContact CB-SG 3.26Å; C37-C57 WeakPolarHBondContact SG-CA 3.35Å; C37-C57 WeakPolarHBondContact SG-CB 3.39Å; C37-C57 CovalentContact SG-SG 2.03Å; C37-C57 PolarHBondContact SG-SG 2.99Å
38G65.9Low73.1Confident45 Ų4577.1 Ų77.146%0.46440%0.395SS..G310 helixtrans-62.2-16.1-177.900000114.8G36G36-G38 VanDerWaalsContact C-N 3.26Å; G36-G38 PolarHBondContact O-N 3.32Å
39Y71.1Confident74.3Confident67 Ų6767.3 Ų67.326%0.26336%0.359SS..G310 helixtrans-106.21.4-178.9-64.8-90.4000113.9V35 G36 C37 G41 T42 M45 D197V35-Y39 HydrophobicContact CG1-CD2 3.65Å; V35-Y39 HydrophobicContact CG1-CG 3.77Å; V35-Y39 WeakPolarHBondContact O-CD2 2.88Å; G36-Y39 PolarHBondContact O-N 2.94Å; C37-Y39 PolarHBondContact O-N 3.1Å; Y39-G41 PolarHBondContact O-N 3.26Å; Y39-T42 HydrophobicContact CD1-CG2 4.35Å; Y39-T42 WeakPolarHBondContact O-CB 3.43Å; Y39-T42 PolarHBondContact O-N 3.45Å; Y39-T42 PolarHBondContact O-OG1 2.98Å; Y39-M45 WeakPolarHBondContact O-CB 3.02Å; Y39-D197 PolarHBondContact OH-O 3.29Å
40C77.6Confident75.1Confident16 Ų1668.7 Ų68.711%0.10837%0.368CS..THydrogen-bonded Turntrans-61.7-16.3179.8-71.30000114.1C37 T42 K46 C53C37-C40 WeakPolarHBondContact O-CB 3.27Å; C37-C40 PolarHBondContact O-N 2.85Å; C40-T42 VanDerWaalsContact C-N 3.34Å; C40-K46 WeakPolarHBondContact O-CE 3.09Å; C40-K46 VanDerWaalsContact O-CG 3.28Å; C40-K46 WeakPolarHBondContact O-CG 3.42Å; C40-C53 WeakPolarHBondContact CA-SG 3.44Å; C40-C53 HydrophobicContact CB-CB 3.67Å; C40-C53 WeakPolarHBondContact CB-SG 3.47Å; C40-C53 WeakPolarHBondContact SG-CA 3.43Å; C40-C53 WeakPolarHBondContact SG-CB 3.34Å; C40-C53 CovalentContact SG-SG 2.03Å; C40-C53 PolarHBondContact SG-SG 3.06Å
41G69.9Low75.6Confident50 Ų5071.9 Ų71.952%0.51539%0.387SS..THydrogen-bonded Turntrans-76.2-17.1170.600000114.5Y39Y39-G41 PolarHBondContact O-N 3.26Å
42T72.9Confident75.9Confident64 Ų6469.3 Ų69.339%0.39337%0.367SS..SBendtrans-81.8144.7-17770.20000112Y39 C40 R44 M45 K46Y39-T42 HydrophobicContact CD1-CG2 4.35Å; Y39-T42 WeakPolarHBondContact O-CB 3.43Å; Y39-T42 PolarHBondContact O-N 3.45Å; Y39-T42 PolarHBondContact O-OG1 2.98Å; C40-T42 VanDerWaalsContact C-N 3.34Å; T42-R44 VanDerWaalsContact C-N 3.34Å; T42-R44 PolarHBondContact O-N 3.39Å; T42-M45 PolarHBondContact O-N 3.05Å; T42-M45 VanDerWaalsContact OG1-CB 3.3Å; T42-M45 WeakPolarHBondContact OG1-CB 3.42Å; T42-M45 PolarHBondContact OG1-N 2.87Å; T42-K46 PolarHBondContact O-N 3.21Å
43R73.4Confident76Confident196 Ų19668.6 Ų68.674%0.7436%0.362SS*.Hα-helixtrans-54.2-48.2-179.7-178.5177.4174.91732.5112.4M45 K46 E47R43-M45 VanDerWaalsContact C-N 3.35Å; R43-M45 PolarHBondContact O-N 3.37Å; R43-K46 PolarHBondContact O-N 3.38Å; R43-E47 WeakPolarHBondContact CG-OE1 3.24Å; R43-E47 IonicContact CZ-OE1 3.91Å; R43-E47 IonicContact NE-OE1 2.8Å; R43-E47 PolarHBondContact NE-OE1 3.15Å; R43-E47 IonicContact NH2-OE1 3.47Å; R43-E47 WeakPolarHBondContact O-CG 3.26Å; R43-E47 PolarHBondContact O-N 3.39Å
44R73.9Confident76.4Confident152 Ų15271.9 Ų71.957%0.57437%0.369SS*.Hα-helixtrans-62.9-38.4-177.6-166.2175.8-178.4169.41.3112.9F29 T42 E47 Q48F29-R44 HydrophobicContact CD2-CG 4.12Å; F29-R44 HydrophobicContact CE2-CG 3.75Å; T42-R44 VanDerWaalsContact C-N 3.34Å; T42-R44 PolarHBondContact O-N 3.39Å; R44-E47 PolarHBondContact O-N 2.74Å; R44-Q48 PolarHBondContact O-N 3.38Å; R44-Q48 VanDerWaalsContact O-N 3.14Å
45M77.8Confident76.7Confident1 Ų171 Ų711%0.00539%0.386CS..Hα-helixtrans-71.3-38.6176.5-167.672.1174.700111.6F29 C32 V35 Y39 T42 R43 E47 Q48 C49 F52F29-M45 HydrophobicContact CE1-SD 3.66Å; F29-M45 HydrophobicContact CZ-SD 3.6Å; C32-M45 HydrophobicContact CB-CE 4.14Å; V35-M45 HydrophobicContact CB-CE 3.83Å; V35-M45 HydrophobicContact CB-SD 3.94Å; V35-M45 HydrophobicContact CG1-CE 4Å; V35-M45 HydrophobicContact CG1-SD 3.68Å; V35-M45 HydrophobicContact CG2-SD 4.39Å; Y39-M45 WeakPolarHBondContact O-CB 3.02Å; T42-M45 PolarHBondContact O-N 3.05Å; T42-M45 VanDerWaalsContact OG1-CB 3.3Å; T42-M45 WeakPolarHBondContact OG1-CB 3.42Å; T42-M45 PolarHBondContact OG1-N 2.87Å; R43-M45 VanDerWaalsContact C-N 3.35Å; R43-M45 PolarHBondContact O-N 3.37Å; M45-E47 VanDerWaalsContact C-N 3.3Å; M45-E47 PolarHBondContact O-N 3.12Å; M45-Q48 PolarHBondContact O-N 2.85Å; M45-C49 HydrophobicContact CE-CB 3.51Å; M45-C49 HydrophobicContact CG-CB 3.97Å; M45-C49 CarbonylContact O-C 3.56Å; M45-C49 VanDerWaalsContact O-CA 3.29Å; M45-C49 WeakPolarHBondContact O-CA 3.49Å; M45-C49 VanDerWaalsContact O-CB 3.3Å; M45-C49 WeakPolarHBondContact O-CB 3.46Å; M45-C49 PolarHBondContact O-N 2.97Å; M45-C49 HydrophobicContact SD-CB 3.53Å; M45-C49 VanDerWaalsContact SD-CB 3.53Å; M45-C49 VanDerWaalsContact SD-SG 3.68Å; M45-F52 HydrophobicContact CE-CD1 3.94Å; M45-F52 HydrophobicContact CE-CE1 4.27Å
46K77.5Confident76.7Confident114 Ų11477.2 Ų77.250%0.49641%0.411SS..Hα-helixtrans-61.9-38.8173.5-73.4-175.3174.4-175.60111.9C40 T42 R43 D50C40-K46 WeakPolarHBondContact O-CE 3.09Å; C40-K46 VanDerWaalsContact O-CG 3.28Å; C40-K46 WeakPolarHBondContact O-CG 3.42Å; T42-K46 PolarHBondContact O-N 3.21Å; R43-K46 PolarHBondContact O-N 3.38Å; K46-D50 WeakPolarHBondContact O-CB 3.37Å
47E80.6Confident76.4Confident125 Ų12577.2 Ų77.258%0.58441%0.408SS*.Hα-helixtrans-70.5-35.1179-72.8168.9-177.500112.8R43 R44 M45R43-E47 WeakPolarHBondContact CG-OE1 3.24Å; R43-E47 IonicContact CZ-OE1 3.91Å; R43-E47 IonicContact NE-OE1 2.8Å; R43-E47 PolarHBondContact NE-OE1 3.15Å; R43-E47 IonicContact NH2-OE1 3.47Å; R43-E47 WeakPolarHBondContact O-CG 3.26Å; R43-E47 PolarHBondContact O-N 3.39Å; R44-E47 PolarHBondContact O-N 2.74Å; M45-E47 VanDerWaalsContact C-N 3.3Å; M45-E47 PolarHBondContact O-N 3.12Å
48Q82Confident75.7Confident104 Ų10479 Ų7949%0.48642%0.419SS..Hα-helixtrans-109.1-15.3-170.9-61.7-169.6-60.800115F29 R44 M45F29-Q48 HydrophobicContact CD1-CB 3.98Å; F29-Q48 HydrophobicContact CE1-CB 4.34Å; F29-Q48 HydrophobicContact CG-CB 4.16Å; R44-Q48 PolarHBondContact O-N 3.38Å; R44-Q48 VanDerWaalsContact O-N 3.14Å; M45-Q48 PolarHBondContact O-N 2.85Å
49C85.5Confident75.3Confident4 Ų483.9 Ų83.93%0.02743%0.434CS..Hα-helixtrans-139.624.1-170.1-70.20000113.8F29 C32 M45 T51 F52 C53F29-C49 WeakPolarHBondContact CE1-SG 3.43Å; C32-C49 WeakPolarHBondContact CA-SG 3.38Å; C32-C49 HydrophobicContact CB-CB 3.59Å; C32-C49 WeakPolarHBondContact CB-SG 3.31Å; C32-C49 WeakPolarHBondContact SG-CA 3.36Å; C32-C49 WeakPolarHBondContact SG-CB 3.3Å; C32-C49 CovalentContact SG-SG 2.01Å; C32-C49 PolarHBondContact SG-SG 2.93Å; M45-C49 HydrophobicContact CE-CB 3.51Å; M45-C49 HydrophobicContact CG-CB 3.97Å; M45-C49 CarbonylContact O-C 3.56Å; M45-C49 VanDerWaalsContact O-CA 3.29Å; M45-C49 WeakPolarHBondContact O-CA 3.49Å; M45-C49 VanDerWaalsContact O-CB 3.3Å; M45-C49 WeakPolarHBondContact O-CB 3.46Å; M45-C49 PolarHBondContact O-N 2.97Å; M45-C49 HydrophobicContact SD-CB 3.53Å; M45-C49 VanDerWaalsContact SD-CB 3.53Å; M45-C49 VanDerWaalsContact SD-SG 3.68Å; C49-T51 VanDerWaalsContact C-N 3.32Å; C49-T51 PolarHBondContact O-N 3.47Å; C49-F52 HydrophobicContact CB-CB 4.44Å; C49-F52 WeakPolarHBondContact O-CB 3.46Å; C49-F52 PolarHBondContact O-N 3.06Å; C49-F52 VanDerWaalsContact O-N 3.09Å; C49-C53 PolarHBondContact O-N 3.19Å; C49-C53 PolarHBondContact O-SG 3.12Å
50D82.6Confident74.4Confident73 Ų7385.3 Ų85.339%0.3945%0.446SS..Hα-helixtrans-52.9-47.6-178.4-164.333.4000112.4K46 F52 C53 Q54K46-D50 WeakPolarHBondContact O-CB 3.37Å; D50-F52 VanDerWaalsContact C-N 3.3Å; D50-F52 PolarHBondContact O-N 3.33Å; D50-C53 CarbonylContact O-C 3.58Å; D50-C53 WeakPolarHBondContact O-CA 3.18Å; D50-C53 WeakPolarHBondContact O-CB 3.38Å; D50-C53 PolarHBondContact O-N 2.83Å; D50-Q54 WeakPolarHBondContact O-CG 3.38Å; D50-Q54 PolarHBondContact O-N 3.43Å; D50-Q54 PolarHBondContact OD1-NE2 3.35Å; D50-Q54 PolarHBondContact OD2-NE2 2.91Å
51T81.4Confident72.7Confident124 Ų12493 Ų9376%0.76147%0.474SS*.Hα-helixtrans-59.7-39.5179.2-43.70000112.7C49 G55C49-T51 VanDerWaalsContact C-N 3.32Å; C49-T51 PolarHBondContact O-N 3.47Å; T51-G55 PolarHBondContact O-N 2.97Å
52F82.4Confident71.4Confident35 Ų3594.7 Ų94.715%0.15448%0.478CS..Hα-helixtrans-65.3-45.1174.9172.8-91.5000110.7C32 M45 C49 D50 K56C32-F52 HydrophobicContact CB-CB 3.54Å; C32-F52 HydrophobicContact CB-CD1 4Å; C32-F52 HydrophobicContact CB-CD2 4.03Å; C32-F52 HydrophobicContact CB-CG 3.58Å; C32-F52 WeakPolarHBondContact O-CE1 3.31Å; M45-F52 HydrophobicContact CE-CD1 3.94Å; M45-F52 HydrophobicContact CE-CE1 4.27Å; C49-F52 HydrophobicContact CB-CB 4.44Å; C49-F52 WeakPolarHBondContact O-CB 3.46Å; C49-F52 PolarHBondContact O-N 3.06Å; C49-F52 VanDerWaalsContact O-N 3.09Å; D50-F52 VanDerWaalsContact C-N 3.3Å; D50-F52 PolarHBondContact O-N 3.33Å; F52-K56 HydrophobicContact CD2-CB 4.38Å; F52-K56 HydrophobicContact CD2-CD 3.92Å; F52-K56 HydrophobicContact CD2-CG 4.5Å; F52-K56 HydrophobicContact CE2-CB 4.22Å; F52-K56 HydrophobicContact CE2-CD 3.82Å; F52-K56 PolarHBondContact O-N 3.45Å
53C81.2Confident69.6Low18 Ų18100.4 Ų100.412%0.12250%0.5CS..Hα-helixtrans-65.3-37.2-179.3-70.80000113.3C40 C49 D50 C57C40-C53 WeakPolarHBondContact CA-SG 3.44Å; C40-C53 HydrophobicContact CB-CB 3.67Å; C40-C53 WeakPolarHBondContact CB-SG 3.47Å; C40-C53 WeakPolarHBondContact SG-CA 3.43Å; C40-C53 WeakPolarHBondContact SG-CB 3.34Å; C40-C53 CovalentContact SG-SG 2.03Å; C40-C53 PolarHBondContact SG-SG 3.06Å; C49-C53 PolarHBondContact O-N 3.19Å; C49-C53 PolarHBondContact O-SG 3.12Å; D50-C53 CarbonylContact O-C 3.58Å; D50-C53 WeakPolarHBondContact O-CA 3.18Å; D50-C53 WeakPolarHBondContact O-CB 3.38Å; D50-C53 PolarHBondContact O-N 2.83Å; C53-C57 WeakPolarHBondContact O-CB 3.26Å
54Q79.8Confident67.7Low143 Ų143100.4 Ų100.467%0.66851%0.505SS*.Hα-helixtrans-79.2-35.5178.6-67.2178.7900112.7D50D50-Q54 WeakPolarHBondContact O-CG 3.38Å; D50-Q54 PolarHBondContact O-N 3.43Å; D50-Q54 PolarHBondContact OD1-NE2 3.35Å; D50-Q54 PolarHBondContact OD2-NE2 2.91Å
55G74.2Confident65.7Low68 Ų6899.2 Ų99.270%0.70152%0.52SS*.Hα-helixtrans-93-30.1-171.100000115.8T51T51-G55 PolarHBondContact O-N 2.97Å
56K71.7Confident63.5Low159 Ų159104.1 Ų104.169%0.69156%0.555SS**THydrogen-bonded Turntrans-115.3-19.4-173.6-67.7-168.4177-172.60114.4F52F52-K56 HydrophobicContact CD2-CB 4.38Å; F52-K56 HydrophobicContact CD2-CD 3.92Å; F52-K56 HydrophobicContact CD2-CG 4.5Å; F52-K56 HydrophobicContact CE2-CB 4.22Å; F52-K56 HydrophobicContact CE2-CD 3.82Å; F52-K56 PolarHBondContact O-N 3.45Å
57C66.3Low61.2Low17 Ų17105 Ų10512%0.11557%0.569CS.*SBendtrans-92.5129.6-177.4-57.40000109.6C37 C53 N59C37-C57 WeakPolarHBondContact CA-SG 3.49Å; C37-C57 HydrophobicContact CB-CB 3.59Å; C37-C57 WeakPolarHBondContact CB-SG 3.26Å; C37-C57 WeakPolarHBondContact SG-CA 3.35Å; C37-C57 WeakPolarHBondContact SG-CB 3.39Å; C37-C57 CovalentContact SG-SG 2.03Å; C37-C57 PolarHBondContact SG-SG 2.99Å; C53-C57 WeakPolarHBondContact O-CB 3.26Å; C57-N59 PolarHBondContact O-N 2.82Å
58P62.8Low58.8Low85 Ų85109.9 Ų109.955%0.55258%0.584SS**  trans-54.5138.6167.96.9-5.6000107.8I60P58-I60 HydrophobicContact CB-CD1 4.2Å; P58-I60 HydrophobicContact CB-CG1 4.17Å; P58-I60 HydrophobicContact CG-CD1 3.95Å; P58-I60 HydrophobicContact CG-CG1 4.46Å; P58-I60 VanDerWaalsContact O-CG1 3.31Å; P58-I60 WeakPolarHBondContact O-CG1 2.96Å; P58-I60 PolarHBondContact O-N 3.22Å
59N56.6Low56.4Low146 Ų146110.1 Ų110.178%0.78160%0.597SS**SBendtrans-67.571.4-170.8-147.8-9000110.2C57C57-N59 PolarHBondContact O-N 2.82Å
60I52.5Low53.9Low97 Ų97118.6 Ų118.650%0.49764%0.642SS.*  trans-91.1-17.7-172.1-60.2162.2000110.6P58P58-I60 HydrophobicContact CB-CD1 4.2Å; P58-I60 HydrophobicContact CB-CG1 4.17Å; P58-I60 HydrophobicContact CG-CD1 3.95Å; P58-I60 HydrophobicContact CG-CG1 4.46Å; P58-I60 VanDerWaalsContact O-CG1 3.31Å; P58-I60 WeakPolarHBondContact O-CG1 2.96Å; P58-I60 PolarHBondContact O-N 3.22Å
61Y42.8Very low51.4Low177 Ų177119 Ų11969%0.69466%0.656SS**SBendtrans-142.123.8-168.9-67.8-70.3000116.8
62S40.8Very low48.9Very low86 Ų86123.2 Ų123.260%0.60166%0.664SS**  trans-98.892.2154.7177.60000105.5
63E36.8Very low46.7Very low185 Ų185130.1 Ų130.186%0.86470%0.696SS**SBend-169.6154.683.7-139.9165.8174.300109.7
64K33.2Very low44.6Very low196 Ų196134 Ų13485%0.85272%0.721SS**  trans-60.2142.9-175.2-71.6167.4175.4171.30112.3S66K64-S66 PolarHBondContact O-N 3.17Å
65S32.1Very low42.1Very low127 Ų127135.8 Ų135.889%0.88873%0.732SS**  trans-22.5109.1156.1-44.50000115.2
66S31.2Very low39.9Very low104 Ų104141.4 Ų141.473%0.72773%0.733SS**  trans-154.7102.4147.659.60000110.3K64K64-S66 PolarHBondContact O-N 3.17Å
67V28Very low38.3Very low131 Ų131138.8 Ų138.879%0.79474%0.741SS**  trans45.9100.3140.2-168.10000117S69V67-S69 PolarHBondContact O-N 3.49Å
68Y31.3Very low37Very low229 Ų229144.7 Ų144.790%0.89877%0.771SS**  trans2397131.6-145.3-88.9000116
69S30.6Very low35.7Very low109 Ų109146.7 Ų146.776%0.76277%0.773SS**  trans-166.1122.2151.9-77.20000110.3V67 A71V67-S69 PolarHBondContact O-N 3.49Å; S69-A71 PolarHBondContact O-N 3.24Å; S69-A71 VanDerWaalsContact O-N 3.13Å
70N34.7Very low34.9Very low181 Ų181145.5 Ų145.597%0.96877%0.772SS**  trans-18.6106.2159.7-95.2-46.2000114.3
71A30.1Very low34.5Very low82 Ų82150 Ų15068%0.67879%0.787SS**  trans-145.6118.6160.500000108.8S69 H73S69-A71 PolarHBondContact O-N 3.24Å; S69-A71 VanDerWaalsContact O-N 3.13Å; A71-H73 PolarHBondContact O-N 3.41Å; A71-H73 VanDerWaalsContact O-N 3.13Å
72K28.3Very low34.7Very low213 Ų213150.4 Ų150.493%0.92679%0.788SS**  trans-52.3113.1178.5-64.7169.7177.3176.70109
73H36.7Very low35.6Very low179 Ų179148.4 Ų148.483%0.82977%0.772SS**  trans-61139.7173.8-89.2-87000110.2A71 M75A71-H73 PolarHBondContact O-N 3.41Å; A71-H73 VanDerWaalsContact O-N 3.13Å; H73-M75 PolarHBondContact O-N 3.04Å
74P37Very low37.5Very low101 Ų101146.4 Ų146.466%0.65676%0.764SS**  trans-67.7120178.325.7-30.7000110.2Y76P74-Y76 PolarHBondContact O-N 2.84Å
75M25.8Very low39.7Very low180 Ų180140.8 Ų140.889%0.88774%0.737SS**  trans-66.3108.5-178.7-174.6-177.9164.500110.4H73H73-M75 PolarHBondContact O-N 3.04Å
76Y29.7Very low42.2Very low186 Ų186137.7 Ų137.773%0.72972%0.72SS**  trans-83.8132.9166.4-86.8-87.7000109.7P74 N78 E79P74-Y76 PolarHBondContact O-N 2.84Å; Y76-N78 PolarHBondContact O-N 2.82Å; Y76-E79 PolarHBondContact O-N 3Å
77A36.7Very low44.9Very low104 Ų104136.3 Ų136.386%0.8670%0.702SS**THydrogen-bonded Turntrans-71.417.3-168.400000116.3
78N39.1Very low47.9Very low140 Ų140130.1 Ų130.175%0.74966%0.664SS**THydrogen-bonded Turntrans-137.328.4177.4-145-1.8000113.2Y76 T80Y76-N78 PolarHBondContact O-N 2.82Å; N78-T80 PolarHBondContact O-N 2.88Å
79E34.9Very low50.8Low127 Ų127120 Ų12059%0.59363%0.625SS**  trans-79.620.3176-156.5112.3-139.800112.9Y76 K81Y76-E79 PolarHBondContact O-N 3Å; E79-K81 VanDerWaalsContact C-N 3.34Å; E79-K81 PolarHBondContact O-N 3.05Å
80T39.7Very low53.8Low122 Ų122120.7 Ų120.775%0.74862%0.618SS**SBendtrans-73.595.5169.334.10000108.1N78N78-T80 PolarHBondContact O-N 2.88Å
81K44.4Very low56.7Low190 Ų190115.3 Ų115.383%0.82659%0.587SS**SBendtrans96.829.2160.6-140.2-177.8-169.5-170.80117.9E79 V83E79-K81 VanDerWaalsContact C-N 3.34Å; E79-K81 PolarHBondContact O-N 3.05Å; K81-V83 PolarHBondContact O-N 3.13Å
82R48.3Very low59.8Low187 Ų187111.6 Ų111.671%0.70656%0.556SS**  trans-83.698.7152.9-86.8-175.9178.5175.71.8108.6M84R82-M84 PolarHBondContact O-N 3.36Å; R82-M84 VanDerWaalsContact O-N 3.11Å
83V58.9Low63Low44 Ų44104.2 Ų104.227%0.26753%0.526SS..  trans-54119.4163.2-179.40000106.9K81 E87 V88 Y207 I211K81-V83 PolarHBondContact O-N 3.13Å; V83-E87 HydrophobicContact CG1-CB 3.56Å; V83-E87 HydrophobicContact CG1-CG 3.42Å; V83-E87 VanDerWaalsContact CG1-CG 3.42Å; V83-V88 HydrophobicContact CB-CG2 4.31Å; V83-V88 HydrophobicContact CG1-CG2 3.75Å; V83-Y207 PolarHBondContact O-OH 3.17Å; V83-I211 HydrophobicContact CB-CG2 4.11Å
84M76.3Confident65.8Low142 Ų14297.5 Ų97.570%0.750%0.498SS*.  trans-60.3145.4178.9-68.4-175-73.200109.6R82 A86 E87 V88R82-M84 PolarHBondContact O-N 3.36Å; R82-M84 VanDerWaalsContact O-N 3.11Å; M84-A86 PolarHBondContact O-N 3.26Å; M84-E87 WeakPolarHBondContact O-CB 3.25Å; M84-E87 PolarHBondContact O-N 3.02Å; M84-V88 PolarHBondContact O-N 3.28Å
85R81Confident68.7Low78 Ų7894.2 Ų94.229%0.29448%0.478SS..Hα-helixtrans-51.5-33.3178.7-168.1178.9-170.998.9-0.5113.1V88 N89 L113 D114 Y207R85-V88 PolarHBondContact O-N 2.84Å; R85-N89 PolarHBondContact O-N 3.3Å; R85-N89 PolarHBondContact O-ND2 3.13Å; R85-L113 PolarHBondContact NH2-O 3.38Å; R85-D114 VanDerWaalsContact CD-OD1 3.31Å; R85-D114 WeakPolarHBondContact CD-OD1 2.98Å; R85-D114 IonicContact CZ-OD1 2.84Å; R85-D114 IonicContact NE-OD1 3.59Å; R85-D114 PolarHBondContact NE-OD1 2.99Å; R85-Y207 HydrophobicContact CB-CE2 4.13Å; R85-Y207 HydrophobicContact CG-CD2 4.31Å; R85-Y207 HydrophobicContact CG-CE2 4.42Å
86A83.7Confident72.1Confident63 Ų6385.7 Ų85.752%0.52144%0.436SS..Hα-helixtrans-59.9-43.9174.300000112.9M84 N89 M90M84-A86 PolarHBondContact O-N 3.26Å; A86-N89 PolarHBondContact O-N 2.91Å; A86-M90 PolarHBondContact O-N 3.44Å
87E88.4Confident75.3Confident75 Ų7582.7 Ų82.735%0.3543%0.429SS..Hα-helixtrans-67.1-41.1177.2177.359.5-150.200110.8V83 M84 N89 M90 Q91V83-E87 HydrophobicContact CG1-CB 3.56Å; V83-E87 HydrophobicContact CG1-CG 3.42Å; V83-E87 VanDerWaalsContact CG1-CG 3.42Å; M84-E87 WeakPolarHBondContact O-CB 3.25Å; M84-E87 PolarHBondContact O-N 3.02Å; E87-N89 VanDerWaalsContact C-N 3.3Å; E87-N89 PolarHBondContact O-N 3.15Å; E87-M90 WeakPolarHBondContact O-CB 3.45Å; E87-M90 PolarHBondContact O-N 3.4Å; E87-Q91 WeakPolarHBondContact O-CG 3.37Å; E87-Q91 PolarHBondContact O-N 3.15Å; E87-Q91 PolarHBondContact OE1-NE2 3.25Å
88V90.2Very high78.1Confident0 Ų086.3 Ų86.30%042%0.42CS..Hα-helixtrans-58.4-43.1172.6175.20000111.4V83 M84 R85 M90 Q91 F92 L113 Y207 W210 I211V83-V88 HydrophobicContact CB-CG2 4.31Å; V83-V88 HydrophobicContact CG1-CG2 3.75Å; M84-V88 PolarHBondContact O-N 3.28Å; R85-V88 PolarHBondContact O-N 2.84Å; V88-M90 PolarHBondContact O-N 2.83Å; V88-Q91 PolarHBondContact O-N 2.71Å; V88-F92 VanDerWaalsContact O-CB 3.29Å; V88-F92 WeakPolarHBondContact O-CB 3.33Å; V88-F92 PolarHBondContact O-N 3.44Å; V88-L113 HydrophobicContact CG1-CD1 3.6Å; V88-Y207 HydrophobicContact CB-CD2 4.26Å; V88-Y207 HydrophobicContact CG1-CD2 4.32Å; V88-Y207 HydrophobicContact CG2-CD2 3.9Å; V88-Y207 HydrophobicContact CG2-CE2 3.85Å; V88-W210 HydrophobicContact CB-CB 4.4Å; V88-W210 HydrophobicContact CG1-CB 3.67Å; V88-W210 HydrophobicContact CG1-CD2 4.04Å; V88-W210 HydrophobicContact CG1-CG 3.46Å; V88-W210 VanDerWaalsContact CG1-CG 3.46Å; V88-W210 HydrophobicContact CG2-CB 3.87Å; V88-W210 HydrophobicContact CG2-CG 4.49Å; V88-I211 HydrophobicContact CG2-CG2 4.36Å
89N92.6Very high80.8Confident16 Ų1681.1 Ų81.19%0.08639%0.392CS..Hα-helixtrans-64.5-38.5176.8-76.1-33.7000112.6R85 A86 E87 F92 M93 T112 L113 D114R85-N89 PolarHBondContact O-N 3.3Å; R85-N89 PolarHBondContact O-ND2 3.13Å; A86-N89 PolarHBondContact O-N 2.91Å; E87-N89 VanDerWaalsContact C-N 3.3Å; E87-N89 PolarHBondContact O-N 3.15Å; N89-F92 PolarHBondContact O-N 2.74Å; N89-M93 VanDerWaalsContact O-CB 3.31Å; N89-M93 WeakPolarHBondContact O-CB 3.38Å; N89-M93 PolarHBondContact O-N 3.1Å; N89-T112 PolarHBondContact OD1-OG1 3.29Å; N89-L113 WeakPolarHBondContact OD1-CB 2.84Å; N89-L113 PolarHBondContact OD1-N 3.46Å; N89-D114 PolarHBondContact ND2-OD1 2.99Å; N89-D114 PolarHBondContact ND2-OD2 3.23Å
90M93.7Very high83.5Confident124 Ų12482.1 Ų82.161%0.61140%0.401SS*.Hα-helixtrans-61.9-46.2174-76.3177.144.900111.5A86 E87 V88 M93 S94A86-M90 PolarHBondContact O-N 3.44Å; E87-M90 WeakPolarHBondContact O-CB 3.45Å; E87-M90 PolarHBondContact O-N 3.4Å; V88-M90 PolarHBondContact O-N 2.83Å; M90-M93 PolarHBondContact O-N 3.09Å; M90-S94 WeakPolarHBondContact O-CB 3.38Å; M90-S94 PolarHBondContact O-N 2.89Å
91Q94.5Very high86Confident69 Ų6980.1 Ų80.132%0.32239%0.39SS..Hα-helixtrans-66.6-40.4178.7-65.5178.311.800112.1E87 V88 S94 C95 W210E87-Q91 WeakPolarHBondContact O-CG 3.37Å; E87-Q91 PolarHBondContact O-N 3.15Å; E87-Q91 PolarHBondContact OE1-NE2 3.25Å; V88-Q91 PolarHBondContact O-N 2.71Å; Q91-S94 PolarHBondContact O-N 3.12Å; Q91-C95 PolarHBondContact O-N 3.05Å; Q91-W210 HydrophobicContact CB-CE3 4.01Å; Q91-W210 HydrophobicContact CB-CH2 3.83Å; Q91-W210 HydrophobicContact CB-CZ3 3.43Å; Q91-W210 VanDerWaalsContact CB-CZ3 3.43Å; Q91-W210 HydrophobicContact CG-CZ3 4.36Å; Q91-W210 VanDerWaalsContact OE1-CZ3 3.24Å
92F95.4Very high88.3Confident4 Ų475.7 Ų75.72%0.01838%0.381CS..Hα-helixtrans-62.3-48.2175.3177.7-153.1000111.6V88 N89 S94 C95 C96 C111 L113 M143 C146 A147 W210V88-F92 VanDerWaalsContact O-CB 3.29Å; V88-F92 WeakPolarHBondContact O-CB 3.33Å; V88-F92 PolarHBondContact O-N 3.44Å; N89-F92 PolarHBondContact O-N 2.74Å; F92-S94 VanDerWaalsContact C-N 3.33Å; F92-S94 PolarHBondContact O-N 2.85Å; F92-C95 WeakPolarHBondContact O-CB 3.2Å; F92-C95 PolarHBondContact O-N 2.81Å; F92-C96 VanDerWaalsContact CE2-SG 3.58Å; F92-C96 PolarHBondContact O-N 3.31Å; F92-C111 VanDerWaalsContact CD1-C 3.44Å; F92-C111 VanDerWaalsContact CE1-CA 3.42Å; F92-C111 HydrophobicContact CE1-CB 4.33Å; F92-C111 HydrophobicContact CE2-CB 4.28Å; F92-C111 HydrophobicContact CZ-CB 4.17Å; F92-L113 HydrophobicContact CD1-CD2 3.99Å; F92-L113 HydrophobicContact CD1-CG 4.27Å; F92-L113 HydrophobicContact CE1-CD2 4.04Å; F92-M143 VanDerWaalsContact CE2-O 3.24Å; F92-M143 WeakPolarHBondContact CE2-O 3.27Å; F92-C146 HydrophobicContact CD2-CB 3.97Å; F92-C146 HydrophobicContact CE2-CB 3.88Å; F92-A147 HydrophobicContact CD2-CB 4.24Å; F92-A147 HydrophobicContact CE1-CB 4.11Å; F92-A147 HydrophobicContact CE2-CB 3.66Å; F92-A147 HydrophobicContact CZ-CB 3.57Å; F92-W210 HydrophobicContact CB-CZ2 4.19Å
93M96Very high90.4Very high58 Ų5867.5 Ų67.529%0.28635%0.352SS..Hα-helixtrans-58.2-45.2174.5-178.861.873.200111.7N89 M90 C95 C96 Q97 L108 C111N89-M93 VanDerWaalsContact O-CB 3.31Å; N89-M93 WeakPolarHBondContact O-CB 3.38Å; N89-M93 PolarHBondContact O-N 3.1Å; M90-M93 PolarHBondContact O-N 3.09Å; M93-C95 VanDerWaalsContact C-N 3.31Å; M93-C95 PolarHBondContact O-N 3.15Å; M93-C96 WeakPolarHBondContact O-CB 3.45Å; M93-C96 PolarHBondContact O-N 2.02Å; M93-C96 VanDerWaalsContact O-N 3.15Å; M93-Q97 HydrophobicContact CG-CG 4.49Å; M93-Q97 WeakPolarHBondContact O-CG 3.24Å; M93-Q97 PolarHBondContact O-N 2.89Å; M93-Q97 HydrophobicContact SD-CG 4.37Å; M93-L108 WeakPolarHBondContact CE-O 3.17Å; M93-L108 HydrophobicContact SD-CB 4.36Å; M93-C111 HydrophobicContact CE-CB 3.97Å; M93-C111 HydrophobicContact SD-CB 3.89Å
94S96.8Very high91.8Very high37 Ų3768 Ų6826%0.25936%0.356SS..Hα-helixtrans-59.8-40.4177-175.90000112.1M90 Q91 F92 Q97 R98M90-S94 WeakPolarHBondContact O-CB 3.38Å; M90-S94 PolarHBondContact O-N 2.89Å; Q91-S94 PolarHBondContact O-N 3.12Å; F92-S94 VanDerWaalsContact C-N 3.33Å; F92-S94 PolarHBondContact O-N 2.85Å; S94-Q97 PolarHBondContact O-N 3.48Å; S94-R98 WeakPolarHBondContact O-CG 3.29Å; S94-R98 PolarHBondContact O-N 2.97Å; S94-R98 PolarHBondContact OG-NH1 2.04Å
95C97.2Very high92.3Very high33 Ų3369.1 Ų69.122%0.22336%0.359CS..Hα-helixtrans-60.1-47.9173.8-173.50000111.6Q91 F92 M93 Q97 R98 L99 C146Q91-C95 PolarHBondContact O-N 3.05Å; F92-C95 WeakPolarHBondContact O-CB 3.2Å; F92-C95 PolarHBondContact O-N 2.81Å; M93-C95 VanDerWaalsContact C-N 3.31Å; M93-C95 PolarHBondContact O-N 3.15Å; C95-Q97 VanDerWaalsContact C-N 3.33Å; C95-Q97 PolarHBondContact O-N 3.17Å; C95-R98 PolarHBondContact O-N 3.49Å; C95-L99 PolarHBondContact O-N 3.46Å; C95-C146 HydrophobicContact CB-CB 3.61Å; C95-C146 WeakPolarHBondContact CB-SG 3.47Å; C95-C146 VanDerWaalsContact SG-CA 3.51Å; C95-C146 WeakPolarHBondContact SG-CB 3.16Å; C95-C146 CovalentContact SG-SG 2.04Å; C95-C146 PolarHBondContact SG-SG 2.9Å
96C97Very high92.4Very high1 Ų166.7 Ų66.71%0.00736%0.355CS..Hα-helixtrans-59.9-40.6178-73.70000113.6F92 M93 R98 L99 L108 C111F92-C96 VanDerWaalsContact CE2-SG 3.58Å; F92-C96 PolarHBondContact O-N 3.31Å; M93-C96 WeakPolarHBondContact O-CB 3.45Å; M93-C96 PolarHBondContact O-N 2.02Å; M93-C96 VanDerWaalsContact O-N 3.15Å; C96-R98 VanDerWaalsContact C-N 3.27Å; C96-R98 PolarHBondContact O-N 3.29Å; C96-L99 WeakPolarHBondContact O-CB 3.41Å; C96-L99 WeakPolarHBondContact O-CG 3.29Å; C96-L99 PolarHBondContact O-N 3.38Å; C96-L108 HydrophobicContact CB-CD2 3.96Å; C96-C111 HydrophobicContact CB-CB 3.69Å; C96-C111 WeakPolarHBondContact CB-SG 3.47Å; C96-C111 WeakPolarHBondContact SG-CB 3.36Å; C96-C111 CovalentContact SG-SG 2.02Å; C96-C111 PolarHBondContact SG-SG 2.85Å
97Q96Very high92.7Very high123 Ų12363.7 Ų63.758%0.57533%0.33SS*.Hα-helixtrans-68.3-27.1179.9-72.5174.3-31.100112.8M93 S94 C95 L99 L108M93-Q97 HydrophobicContact CG-CG 4.49Å; M93-Q97 WeakPolarHBondContact O-CG 3.24Å; M93-Q97 PolarHBondContact O-N 2.89Å; M93-Q97 HydrophobicContact SD-CG 4.37Å; S94-Q97 PolarHBondContact O-N 3.48Å; C95-Q97 VanDerWaalsContact C-N 3.33Å; C95-Q97 PolarHBondContact O-N 3.17Å; Q97-L99 VanDerWaalsContact C-N 3.35Å; Q97-L108 HydrophobicContact CG-CD1 4.48Å; Q97-L108 HydrophobicContact CG-CD2 4.26Å
98R96.5Very high92.9Very high180 Ų18061.9 Ų61.968%0.67932%0.322SS*.THydrogen-bonded Turntrans-87-1.1177.4-68.2-174.2-60.9-138.7-0.1113.9S94 C95 C96 N100S94-R98 WeakPolarHBondContact O-CG 3.29Å; S94-R98 PolarHBondContact O-N 2.97Å; S94-R98 PolarHBondContact OG-NH1 2.04Å; C95-R98 PolarHBondContact O-N 3.49Å; C96-R98 VanDerWaalsContact C-N 3.27Å; C96-R98 PolarHBondContact O-N 3.29Å; R98-N100 PolarHBondContact O-N 3.19Å
99L95.1Very high92.9Very high30 Ų3067.9 Ų67.916%0.15735%0.345CS..  trans-60130.3177.5-73.6175.3000110.7C95 C96 Q97 P101 P102 V103 R142 M143C95-L99 PolarHBondContact O-N 3.46Å; C96-L99 WeakPolarHBondContact O-CB 3.41Å; C96-L99 WeakPolarHBondContact O-CG 3.29Å; C96-L99 PolarHBondContact O-N 3.38Å; Q97-L99 VanDerWaalsContact C-N 3.35Å; L99-P101 CarbonylContact C-O 3.54Å; L99-P101 CarbonylContact O-C 3.46Å; L99-P102 VanDerWaalsContact O-CA 3.22Å; L99-P102 WeakPolarHBondContact O-CA 3.31Å; L99-V103 HydrophobicContact CD1-CG1 3.73Å; L99-R142 HydrophobicContact CD1-CB 4.08Å; L99-R142 HydrophobicContact CD2-CB 4.41Å; L99-M143 HydrophobicContact CD1-CG 4.13Å
100N92.9Very high92.8Very high149 Ų14967.4 Ų67.480%0.79734%0.342SS*.SBendtrans-118.4122174.6-1728.9000110.2R98 R142R98-N100 PolarHBondContact O-N 3.19Å; N100-R142 PolarHBondContact O-NH2 2.81Å
101P92Very high92.9Very high79 Ų7961.5 Ų61.551%0.51331%0.313SS..SBendcis-65.5154.4-4.529-35.8000112.5L99 R142L99-P101 CarbonylContact C-O 3.54Å; L99-P101 CarbonylContact O-C 3.46Å; P101-R142 PolarHBondContact O-NH1 2.66Å; P101-R142 PolarHBondContact O-NH2 2.94Å
102P92.5Very high92.8Very high97 Ų9759.8 Ų59.863%0.6331%0.307SS*.PPolyproline II helixtrans-59.6149-179.724.4-33.6000111.8L99L99-P102 VanDerWaalsContact O-CA 3.22Å; L99-P102 WeakPolarHBondContact O-CA 3.31Å
103V91Very high92.6Very high15 Ų1559.7 Ų59.79%0.09131%0.307CS..PPolyproline II helixtrans-85.8149.5170.6-60.10000109.6L99 C107 L108 H139 M143L99-V103 HydrophobicContact CD1-CG1 3.73Å; V103-C107 HydrophobicContact CB-CB 4.01Å; V103-C107 HydrophobicContact CG2-CB 4.06Å; V103-L108 HydrophobicContact CG2-CD2 3.59Å; V103-L108 HydrophobicContact CG2-CG 4.19Å; V103-H139 HydrophobicContact CB-CB 4.43Å; V103-H139 HydrophobicContact CG1-CB 4.03Å; V103-M143 HydrophobicContact CG1-CG 4.4Å; V103-M143 HydrophobicContact CG2-SD 4.31Å
104P88.8Confident92.3Very high54 Ų5461 Ų6135%0.35132%0.316SS..PPolyproline II helixtrans-54.6147.7173.7-26.134000112.2S106 C107P104-S106 PolarHBondContact O-N 3.38Å; P104-S106 VanDerWaalsContact O-N 3.11Å; P104-C107 WeakPolarHBondContact O-CA 3.47Å; P104-C107 WeakPolarHBondContact O-CB 3.4Å; P104-C107 PolarHBondContact O-N 3.27Å
105E86.3Confident91.8Very high166 Ų16660.1 Ų60.178%0.77631%0.308SS*.Hα-helixtrans-57-33.3-179.9-168.5-175.3174.500112.6C107 L108E105-C107 PolarHBondContact O-N 3.34Å; E105-L108 WeakPolarHBondContact O-CB 3.47Å; E105-L108 PolarHBondContact O-N 3.09Å; E105-L108 VanDerWaalsContact O-N 3.1Å
106S84.2Confident91.4Very high28 Ų2861.6 Ų61.620%0.19632%0.316CS..Hα-helixtrans-58.7-31.2173.349.60000114.1P104 R109 I123 K134P104-S106 PolarHBondContact O-N 3.38Å; P104-S106 VanDerWaalsContact O-N 3.11Å; S106-R109 PolarHBondContact O-NH2 3.2Å; S106-I123 WeakPolarHBondContact O-CG2 3.06Å; S106-K134 PolarHBondContact OG-O 2.84Å
107C90.1Very high90.9Very high0 Ų062.8 Ų62.80%032%0.324CS..Hα-helixtrans-73.6-33176.1-740000112.1V103 P104 E105 R109 V110 C135 M143V103-C107 HydrophobicContact CB-CB 4.01Å; V103-C107 HydrophobicContact CG2-CB 4.06Å; P104-C107 WeakPolarHBondContact O-CA 3.47Å; P104-C107 WeakPolarHBondContact O-CB 3.4Å; P104-C107 PolarHBondContact O-N 3.27Å; E105-C107 PolarHBondContact O-N 3.34Å; C107-R109 PolarHBondContact O-N 3.05Å; C107-V110 VanDerWaalsContact O-CB 3.24Å; C107-V110 WeakPolarHBondContact O-CB 3.41Å; C107-V110 WeakPolarHBondContact O-CG2 3.45Å; C107-V110 PolarHBondContact O-N 2.02Å; C107-C135 VanDerWaalsContact CA-SG 3.58Å; C107-C135 HydrophobicContact CB-CB 3.94Å; C107-C135 WeakPolarHBondContact CB-SG 3.36Å; C107-C135 WeakPolarHBondContact SG-CA 3.48Å; C107-C135 WeakPolarHBondContact SG-CB 3.2Å; C107-C135 CovalentContact SG-SG 2.04Å; C107-C135 PolarHBondContact SG-SG 2.87Å; C107-M143 HydrophobicContact CB-CE 3.76Å; C107-M143 HydrophobicContact CB-SD 3.68Å
108L92.1Very high90.4Very high36 Ų3664.5 Ų64.519%0.18833%0.329CS..Hα-helixtrans-59.6-24.6-175.6-66.4177.4000113.2M93 C96 Q97 V103 E105 V110 C111M93-L108 WeakPolarHBondContact CE-O 3.17Å; M93-L108 HydrophobicContact SD-CB 4.36Å; C96-L108 HydrophobicContact CB-CD2 3.96Å; Q97-L108 HydrophobicContact CG-CD1 4.48Å; Q97-L108 HydrophobicContact CG-CD2 4.26Å; V103-L108 HydrophobicContact CG2-CD2 3.59Å; V103-L108 HydrophobicContact CG2-CG 4.19Å; E105-L108 WeakPolarHBondContact O-CB 3.47Å; E105-L108 PolarHBondContact O-N 3.09Å; E105-L108 VanDerWaalsContact O-N 3.1Å; L108-V110 PolarHBondContact O-N 3.12Å; L108-V110 VanDerWaalsContact O-N 3.12Å; L108-C111 VanDerWaalsContact O-CB 3.29Å; L108-C111 WeakPolarHBondContact O-CB 3.29Å; L108-C111 PolarHBondContact O-N 3.32Å
109R90.5Very high89.9Confident127 Ų12760.3 Ų60.348%0.47932%0.317SS..THydrogen-bonded Turntrans-61.1-18.6172.3-67.1-169.9-65-98.8-6.8113.8S106 C107 C111 N115 I123S106-R109 PolarHBondContact O-NH2 3.2Å; C107-R109 PolarHBondContact O-N 3.05Å; R109-C111 VanDerWaalsContact C-N 3.27Å; R109-N115 PolarHBondContact O-ND2 3.27Å; R109-I123 HydrophobicContact CB-CD1 3.63Å; R109-I123 HydrophobicContact CB-CG1 3.92Å; R109-I123 HydrophobicContact CB-CG2 4.47Å; R109-I123 WeakPolarHBondContact O-CD1 2.94Å
110V91.1Very high89.5Confident5 Ų559.1 Ų59.13%0.0331%0.311CS..THydrogen-bonded Turntrans-70.9-25.1171.9177.80000111.6C107 L108 T112 N115 F120 I123 L140 M143C107-V110 VanDerWaalsContact O-CB 3.24Å; C107-V110 WeakPolarHBondContact O-CB 3.41Å; C107-V110 WeakPolarHBondContact O-CG2 3.45Å; C107-V110 PolarHBondContact O-N 2.02Å; L108-V110 PolarHBondContact O-N 3.12Å; L108-V110 VanDerWaalsContact O-N 3.12Å; V110-T112 PolarHBondContact O-N 3.23Å; V110-N115 PolarHBondContact O-ND2 3.09Å; V110-F120 HydrophobicContact CG1-CD2 4.29Å; V110-F120 HydrophobicContact CG1-CE2 3.71Å; V110-I123 HydrophobicContact CG2-CB 4.44Å; V110-I123 HydrophobicContact CG2-CD1 4.5Å; V110-I123 HydrophobicContact CG2-CG2 3.61Å; V110-L140 HydrophobicContact CG1-CD1 3.81Å; V110-M143 HydrophobicContact CB-CE 3.67Å; V110-M143 HydrophobicContact CB-SD 4Å; V110-M143 HydrophobicContact CG1-CE 3.97Å; V110-M143 HydrophobicContact CG2-CE 3.76Å
111C94.4Very high89.1Confident1 Ų156.2 Ų56.21%0.00729%0.29CS..SBendtrans-79.949.8-169.2-570000113.8F92 M93 C96 L108 R109F92-C111 VanDerWaalsContact CD1-C 3.44Å; F92-C111 VanDerWaalsContact CE1-CA 3.42Å; F92-C111 HydrophobicContact CE1-CB 4.33Å; F92-C111 HydrophobicContact CE2-CB 4.28Å; F92-C111 HydrophobicContact CZ-CB 4.17Å; M93-C111 HydrophobicContact CE-CB 3.97Å; M93-C111 HydrophobicContact SD-CB 3.89Å; C96-C111 HydrophobicContact CB-CB 3.69Å; C96-C111 WeakPolarHBondContact CB-SG 3.47Å; C96-C111 WeakPolarHBondContact SG-CB 3.36Å; C96-C111 CovalentContact SG-SG 2.02Å; C96-C111 PolarHBondContact SG-SG 2.85Å; L108-C111 VanDerWaalsContact O-CB 3.29Å; L108-C111 WeakPolarHBondContact O-CB 3.29Å; L108-C111 PolarHBondContact O-N 3.32Å; R109-C111 VanDerWaalsContact C-N 3.27Å
112T92.8Very high88.6Confident32 Ų3255.9 Ų55.920%0.19628%0.283CS..  trans-147.8140.5169.6173.20000109.4N89 V110 D114 N115N89-T112 PolarHBondContact OD1-OG1 3.29Å; V110-T112 PolarHBondContact O-N 3.23Å; T112-D114 PolarHBondContact O-N 2.98Å; T112-D114 PolarHBondContact OG1-N 2.98Å; T112-D114 VanDerWaalsContact OG1-N 3.11Å; T112-N115 VanDerWaalsContact CG2-ND2 3.27Å; T112-N115 WeakPolarHBondContact CG2-ND2 3.33Å; T112-N115 PolarHBondContact O-ND2 3.15Å
113L90.5Very high88Confident2 Ų251.7 Ų51.71%0.0126%0.255CS..THydrogen-bonded Turntrans-77.2-2.9174.3-55.4-174.1000112.6R85 V88 N89 F92 N203 Y206R85-L113 PolarHBondContact NH2-O 3.38Å; V88-L113 HydrophobicContact CG1-CD1 3.6Å; N89-L113 WeakPolarHBondContact OD1-CB 2.84Å; N89-L113 PolarHBondContact OD1-N 3.46Å; F92-L113 HydrophobicContact CD1-CD2 3.99Å; F92-L113 HydrophobicContact CD1-CG 4.27Å; F92-L113 HydrophobicContact CE1-CD2 4.04Å; L113-N203 HydrophobicContact CB-CB 4.29Å; L113-N203 HydrophobicContact CD2-CB 4.49Å; L113-N203 PolarHBondContact O-ND2 3.47Å; L113-Y206 HydrophobicContact CD2-CD2 4Å; L113-Y206 HydrophobicContact CD2-CG 4.27Å
114D89.5Confident87.4Confident87 Ų8751 Ų5147%0.46525%0.251SS..THydrogen-bonded Turntrans-93.7-2.3-178.2-57.9-21.8000112.7R85 N89 T112 T116R85-D114 VanDerWaalsContact CD-OD1 3.31Å; R85-D114 WeakPolarHBondContact CD-OD1 2.98Å; R85-D114 IonicContact CZ-OD1 2.84Å; R85-D114 IonicContact NE-OD1 3.59Å; R85-D114 PolarHBondContact NE-OD1 2.99Å; N89-D114 PolarHBondContact ND2-OD1 2.99Å; N89-D114 PolarHBondContact ND2-OD2 3.23Å; T112-D114 PolarHBondContact O-N 2.98Å; T112-D114 PolarHBondContact OG1-N 2.98Å; T112-D114 VanDerWaalsContact OG1-N 3.11Å; D114-T116 PolarHBondContact O-N 2.99Å
115N87.4Confident86.7Confident17 Ų1750.2 Ų50.29%0.09124%0.242CC..  trans-60.5125.4174.7-82.8-45.4000111.1R109 V110 T112 L199 N203R109-N115 PolarHBondContact O-ND2 3.27Å; V110-N115 PolarHBondContact O-ND2 3.09Å; T112-N115 VanDerWaalsContact CG2-ND2 3.27Å; T112-N115 WeakPolarHBondContact CG2-ND2 3.33Å; T112-N115 PolarHBondContact O-ND2 3.15Å; N115-L199 HydrophobicContact CB-CD2 4.26Å; N115-L199 VanDerWaalsContact O-CD2 3.27Å; N115-L199 WeakPolarHBondContact O-CD2 3.5Å; N115-N203 PolarHBondContact O-ND2 3.41Å
116T87.6Confident85.6Confident65 Ų6548.8 Ų48.840%0.39923%0.233SC..  trans-73.1157.2166.161.20000110.9D114 K118 Q119 F120D114-T116 PolarHBondContact O-N 2.99Å; T116-K118 PolarHBondContact O-N 3.19Å; T116-K118 VanDerWaalsContact O-N 3.15Å; T116-Q119 PolarHBondContact O-N 2.04Å; T116-Q119 WeakPolarHBondContact OG1-CG 3.4Å; T116-Q119 PolarHBondContact OG1-N 3.37Å; T116-Q119 PolarHBondContact OG1-OE1 3.43Å; T116-F120 PolarHBondContact O-N 2.95Å
117P87.5Confident84.4Confident26 Ų2650.4 Ų50.417%0.16924%0.24CC..Hα-helixtrans-49-41.4172.8-3136.5000113.2F120 Y121 V196 L199 P200P117-F120 PolarHBondContact O-N 3Å; P117-Y121 VanDerWaalsContact O-CB 3.3Å; P117-Y121 WeakPolarHBondContact O-CB 3.45Å; P117-Y121 PolarHBondContact O-N 3.21Å; P117-V196 HydrophobicContact CB-CG1 4.01Å; P117-V196 WeakPolarHBondContact CB-O 3.45Å; P117-V196 VanDerWaalsContact O-CG1 3.26Å; P117-V196 WeakPolarHBondContact O-CG1 3.45Å; P117-L199 HydrophobicContact CG-CB 4.4Å; P117-P200 HydrophobicContact CG-CG 4.32Å
118K86Confident82.6Confident158 Ų15857.4 Ų57.469%0.68728%0.276SS*.Hα-helixtrans-64.3-46.6178-175.6178.1178.9-179.50112.3T116 Y121 L122T116-K118 PolarHBondContact O-N 3.19Å; T116-K118 VanDerWaalsContact O-N 3.15Å; K118-Y121 PolarHBondContact O-N 3.28Å; K118-L122 HydrophobicContact CG-CD1 4.32Å; K118-L122 VanDerWaalsContact O-CG 3.27Å; K118-L122 WeakPolarHBondContact O-CG 3.08Å; K118-L122 PolarHBondContact O-N 3.21Å
119Q85.7Confident80.8Confident93 Ų9359.9 Ų59.944%0.43530%0.301SS..Hα-helixtrans-63.9-45.5177.8-75.9161.3-39.800111.1T116 Y121 L122 I123T116-Q119 PolarHBondContact O-N 2.04Å; T116-Q119 WeakPolarHBondContact OG1-CG 3.4Å; T116-Q119 PolarHBondContact OG1-N 3.37Å; T116-Q119 PolarHBondContact OG1-OE1 3.43Å; Q119-Y121 PolarHBondContact O-N 3.17Å; Q119-L122 PolarHBondContact O-N 3.47Å; Q119-L122 VanDerWaalsContact O-N 3.16Å; Q119-I123 WeakPolarHBondContact O-CD1 3.1Å; Q119-I123 VanDerWaalsContact O-CG1 3.28Å; Q119-I123 WeakPolarHBondContact O-CG1 3.05Å; Q119-I123 PolarHBondContact O-N 3.04Å
120F87.3Confident79.1Confident5 Ų561.5 Ų61.52%0.02231%0.312CS..Hα-helixtrans-58.6-49177-170.4-87.5000111V110 T116 P117 L122 I123 Q124 L140 F192 V196 L199V110-F120 HydrophobicContact CG1-CD2 4.29Å; V110-F120 HydrophobicContact CG1-CE2 3.71Å; T116-F120 PolarHBondContact O-N 2.95Å; P117-F120 PolarHBondContact O-N 3Å; F120-L122 VanDerWaalsContact C-N 3.33Å; F120-L122 PolarHBondContact O-N 3.3Å; F120-I123 PolarHBondContact O-N 3.35Å; F120-I123 VanDerWaalsContact O-N 3.13Å; F120-Q124 HydrophobicContact CD1-CG 4.01Å; F120-Q124 HydrophobicContact CE1-CG 3.83Å; F120-Q124 HydrophobicContact CZ-CG 4.48Å; F120-Q124 VanDerWaalsContact O-CG 3.31Å; F120-Q124 WeakPolarHBondContact O-CG 3.11Å; F120-Q124 PolarHBondContact O-N 3.48Å; F120-L140 HydrophobicContact CE1-CD2 4.48Å; F120-L140 HydrophobicContact CE2-CD1 4.05Å; F120-L140 HydrophobicContact CZ-CD1 3.72Å; F120-L140 HydrophobicContact CZ-CD2 3.98Å; F120-L140 HydrophobicContact CZ-CG 4.49Å; F120-F192 HydrophobicContact CE1-CE1 4.48Å; F120-F192 HydrophobicContact CE1-CZ 4.06Å; F120-V196 HydrophobicContact CB-CG1 4.4Å; F120-V196 HydrophobicContact CD1-CG1 3.98Å; F120-V196 HydrophobicContact CD1-CG2 3.9Å; F120-V196 HydrophobicContact CE1-CG2 4.07Å; F120-L199 HydrophobicContact CB-CD2 3.46Å; F120-L199 VanDerWaalsContact CB-CD2 3.46Å; F120-L199 HydrophobicContact CD2-CD1 4.06Å; F120-L199 HydrophobicContact CD2-CD2 3.95Å; F120-L199 HydrophobicContact CE2-CD1 4.24Å; F120-L199 HydrophobicContact CG-CD1 4.43Å; F120-L199 HydrophobicContact CG-CD2 3.81Å
121Y84.2Confident77.5Confident88 Ų8872 Ų7235%0.34535%0.351SS..Hα-helixtrans-54.2-47.1173.5176.2-98.5000112.3P117 K118 Q119 I123 Q124 F125 L193P117-Y121 VanDerWaalsContact O-CB 3.3Å; P117-Y121 WeakPolarHBondContact O-CB 3.45Å; P117-Y121 PolarHBondContact O-N 3.21Å; K118-Y121 PolarHBondContact O-N 3.28Å; Q119-Y121 PolarHBondContact O-N 3.17Å; Y121-I123 VanDerWaalsContact C-N 3.32Å; Y121-I123 PolarHBondContact O-N 3.04Å; Y121-Q124 CarbonylContact O-C 3.58Å; Y121-Q124 PolarHBondContact O-N 2.84Å; Y121-Q124 VanDerWaalsContact O-N 3.09Å; Y121-F125 HydrophobicContact CD2-CB 4.46Å; Y121-F125 AromaticContact CD2-CD2 3.18Å; Y121-F125 HydrophobicContact CD2-CD2 3.18Å; Y121-F125 AromaticContact CD2-CE2 3.62Å; Y121-F125 HydrophobicContact CD2-CE2 3.62Å; Y121-F125 HydrophobicContact CD2-CG 4.12Å; Y121-F125 HydrophobicContact CE1-CB 4.26Å; Y121-F125 HydrophobicContact CE2-CB 3.93Å; Y121-F125 AromaticContact CE2-CD2 3.09Å; Y121-F125 HydrophobicContact CE2-CD2 3.09Å; Y121-F125 AromaticContact CE2-CE2 3.64Å; Y121-F125 HydrophobicContact CE2-CE2 3.64Å; Y121-F125 AromaticContact CE2-CG 3.63Å; Y121-F125 HydrophobicContact CE2-CG 3.63Å; Y121-F125 AromaticContact CG-CD2 4Å; Y121-F125 HydrophobicContact CG-CD2 4Å; Y121-F125 AromaticContact CZ-CD2 3.91Å; Y121-F125 WeakPolarHBondContact O-CD2 3.34Å; Y121-F125 PolarHBondContact O-N 3.42Å; Y121-L193 HydrophobicContact CD2-CD2 3.37Å; Y121-L193 HydrophobicContact CE2-CD2 3.35Å; Y121-L193 HydrophobicContact CG-CD2 4.47Å
122L81.3Confident75.6Confident71 Ų7181.3 Ų81.337%0.37239%0.386SS..Hα-helixtrans-62.5-38.1178.4-71.6171.5000112.5K118 Q119 F120 Q124 F125 K126K118-L122 HydrophobicContact CG-CD1 4.32Å; K118-L122 VanDerWaalsContact O-CG 3.27Å; K118-L122 WeakPolarHBondContact O-CG 3.08Å; K118-L122 PolarHBondContact O-N 3.21Å; Q119-L122 PolarHBondContact O-N 3.47Å; Q119-L122 VanDerWaalsContact O-N 3.16Å; F120-L122 VanDerWaalsContact C-N 3.33Å; F120-L122 PolarHBondContact O-N 3.3Å; L122-Q124 VanDerWaalsContact C-N 3.25Å; L122-Q124 PolarHBondContact O-N 2.96Å; L122-F125 PolarHBondContact O-N 3.09Å; L122-K126 HydrophobicContact CD2-CB 4.45Å; L122-K126 HydrophobicContact CD2-CG 4.45Å; L122-K126 WeakPolarHBondContact O-CB 3.49Å; L122-K126 PolarHBondContact O-N 3.03Å
123I80.3Confident74.2Confident10 Ų1080.8 Ų80.85%0.05138%0.383CS..Hα-helixtrans-64.1-36.2175.5-63.1157.2000110.5S106 R109 V110 Q119 F120 Y121S106-I123 WeakPolarHBondContact O-CG2 3.06Å; R109-I123 HydrophobicContact CB-CD1 3.63Å; R109-I123 HydrophobicContact CB-CG1 3.92Å; R109-I123 HydrophobicContact CB-CG2 4.47Å; R109-I123 WeakPolarHBondContact O-CD1 2.94Å; V110-I123 HydrophobicContact CG2-CB 4.44Å; V110-I123 HydrophobicContact CG2-CD1 4.5Å; V110-I123 HydrophobicContact CG2-CG2 3.61Å; Q119-I123 WeakPolarHBondContact O-CD1 3.1Å; Q119-I123 VanDerWaalsContact O-CG1 3.28Å; Q119-I123 WeakPolarHBondContact O-CG1 3.05Å; Q119-I123 PolarHBondContact O-N 3.04Å; F120-I123 PolarHBondContact O-N 3.35Å; F120-I123 VanDerWaalsContact O-N 3.13Å; Y121-I123 VanDerWaalsContact C-N 3.32Å; Y121-I123 PolarHBondContact O-N 3.04Å
124Q77.5Confident73.3Confident1 Ų183.9 Ų83.91%0.00540%0.397CS..Hα-helixtrans-79-32.1179.2-59.6-55.9-52.200113.6F120 Y121 L122 P133 C135 F192F120-Q124 HydrophobicContact CD1-CG 4.01Å; F120-Q124 HydrophobicContact CE1-CG 3.83Å; F120-Q124 HydrophobicContact CZ-CG 4.48Å; F120-Q124 VanDerWaalsContact O-CG 3.31Å; F120-Q124 WeakPolarHBondContact O-CG 3.11Å; F120-Q124 PolarHBondContact O-N 3.48Å; Y121-Q124 CarbonylContact O-C 3.58Å; Y121-Q124 PolarHBondContact O-N 2.84Å; Y121-Q124 VanDerWaalsContact O-N 3.09Å; L122-Q124 VanDerWaalsContact C-N 3.25Å; L122-Q124 PolarHBondContact O-N 2.96Å; Q124-P133 WeakPolarHBondContact O-CA 3.47Å; Q124-P133 WeakPolarHBondContact O-CB 3.28Å; Q124-C135 PolarHBondContact OE1-O 3.34Å; Q124-C135 VanDerWaalsContact OE1-O 3.09Å; Q124-F192 HydrophobicContact CG-CE1 4.39Å; Q124-F192 HydrophobicContact CG-CZ 4.17Å
125F73.7Confident73Confident36 Ų3679.8 Ų79.816%0.15838%0.375CS..Hα-helixtrans-131.4-0.7-164.7-63.4-75.4000117.9Y121 L122 D127 G188 F192Y121-F125 HydrophobicContact CD2-CB 4.46Å; Y121-F125 AromaticContact CD2-CD2 3.18Å; Y121-F125 HydrophobicContact CD2-CD2 3.18Å; Y121-F125 AromaticContact CD2-CE2 3.62Å; Y121-F125 HydrophobicContact CD2-CE2 3.62Å; Y121-F125 HydrophobicContact CD2-CG 4.12Å; Y121-F125 HydrophobicContact CE1-CB 4.26Å; Y121-F125 HydrophobicContact CE2-CB 3.93Å; Y121-F125 AromaticContact CE2-CD2 3.09Å; Y121-F125 HydrophobicContact CE2-CD2 3.09Å; Y121-F125 AromaticContact CE2-CE2 3.64Å; Y121-F125 HydrophobicContact CE2-CE2 3.64Å; Y121-F125 AromaticContact CE2-CG 3.63Å; Y121-F125 HydrophobicContact CE2-CG 3.63Å; Y121-F125 AromaticContact CG-CD2 4Å; Y121-F125 HydrophobicContact CG-CD2 4Å; Y121-F125 AromaticContact CZ-CD2 3.91Å; Y121-F125 WeakPolarHBondContact O-CD2 3.34Å; Y121-F125 PolarHBondContact O-N 3.42Å; L122-F125 PolarHBondContact O-N 3.09Å; F125-D127 PolarHBondContact O-N 3.39Å; F125-G188 VanDerWaalsContact CE1-CA 3.5Å; F125-G188 VanDerWaalsContact CZ-N 3.29Å; F125-F192 AromaticContact CE2-CD1 3.55Å; F125-F192 HydrophobicContact CE2-CD1 3.55Å; F125-F192 AromaticContact CE2-CE1 3.41Å; F125-F192 HydrophobicContact CE2-CE1 3.41Å; F125-F192 VanDerWaalsContact CE2-CE1 3.41Å; F125-F192 HydrophobicContact CE2-CZ 4.38Å; F125-F192 AromaticContact CZ-CD1 3.67Å; F125-F192 HydrophobicContact CZ-CD1 3.67Å; F125-F192 AromaticContact CZ-CE1 3.78Å; F125-F192 HydrophobicContact CZ-CE1 3.78Å; F125-F192 HydrophobicContact CZ-CG 4.35Å
126K64.3Low72.8Confident136 Ų13681.5 Ų81.559%0.59139%0.387SS*.  trans-58.9-21.7-167-173.3173.8179.9-175.60115.6L122 I128L122-K126 HydrophobicContact CD2-CB 4.45Å; L122-K126 HydrophobicContact CD2-CG 4.45Å; L122-K126 WeakPolarHBondContact O-CB 3.49Å; L122-K126 PolarHBondContact O-N 3.03Å; K126-I128 VanDerWaalsContact C-N 3.26Å; K126-I128 PolarHBondContact O-N 3.47Å
127D57.8Low72.8Confident62 Ų6278.6 Ų78.633%0.33237%0.369SS..  trans-83.771.5173.9-67-20.4000111.4F125 A129 F130 R131 K134F125-D127 PolarHBondContact O-N 3.39Å; D127-A129 PolarHBondContact O-N 3.47Å; D127-F130 PolarHBondContact O-N 3.36Å; D127-F130 VanDerWaalsContact O-N 3.17Å; D127-R131 PolarHBondContact O-N 2.93Å; D127-K134 WeakPolarHBondContact OD1-CE 3.31Å; D127-K134 IonicContact OD1-NZ 3.66Å; D127-K134 PolarHBondContact OD1-NZ 2.88Å; D127-K134 WeakPolarHBondContact OD2-CE 3.47Å; D127-K134 IonicContact OD2-NZ 3.86Å
128I52.1Low72.9Confident147 Ų14784.4 Ų84.475%0.75439%0.391SS*.THydrogen-bonded Turntrans-54.4-35.6173.5-60.9171.8000110.4K126 F130K126-I128 VanDerWaalsContact C-N 3.26Å; K126-I128 PolarHBondContact O-N 3.47Å; I128-F130 VanDerWaalsContact C-N 3.27Å; I128-F130 PolarHBondContact O-N 3.13Å
129A54.4Low73.1Confident88 Ų8878.9 Ų78.973%0.72737%0.368SS*.THydrogen-bonded Turntrans-60.7-31.7-178.700000113.7D127D127-A129 PolarHBondContact O-N 3.47Å
130F56.6Low73.4Confident162 Ų16274.5 Ų74.571%0.71135%0.347SS*.THydrogen-bonded Turntrans-119.3-4.2-174.1-68.7-74.4000114.3D127 I128 R132D127-F130 PolarHBondContact O-N 3.36Å; D127-F130 VanDerWaalsContact O-N 3.17Å; I128-F130 VanDerWaalsContact C-N 3.27Å; I128-F130 PolarHBondContact O-N 3.13Å; F130-R132 PolarHBondContact O-N 2.82Å
131R56.2Low73.8Confident225 Ų22575.4 Ų75.485%0.84935%0.352SS*.  trans50.412.2-175.2-64.4-175.6178.8171.10.7114.6D127D127-R131 PolarHBondContact O-N 2.93Å
132R56Low74.3Confident196 Ų19673.1 Ų73.174%0.7434%0.343SS*.  trans-91.2126.4177.5-71-167.2-177.7-176.62108F130 K134F130-R132 PolarHBondContact O-N 2.82Å; R132-K134 PolarHBondContact O-N 3.44Å
133P61.5Low74.9Confident21 Ų2169.8 Ų69.814%0.13633%0.325CS..  trans-65.8134176.228.4-33.8000109Q124 C135 Y187Q124-P133 WeakPolarHBondContact O-CA 3.47Å; Q124-P133 WeakPolarHBondContact O-CB 3.28Å; P133-C135 PolarHBondContact O-N 3.08Å; P133-C135 VanDerWaalsContact O-N 3.15Å; P133-Y187 HydrophobicContact CG-CD2 4.15Å; P133-Y187 HydrophobicContact CG-CE2 4.19Å
134K72.3Confident75.6Confident68 Ų6869.6 Ų69.630%0.29632%0.324SS..SBendtrans-61.5-20.7170.6-69.7-167.4176.7-1690111.7S106 D127 R132S106-K134 PolarHBondContact OG-O 2.84Å; D127-K134 WeakPolarHBondContact OD1-CE 3.31Å; D127-K134 IonicContact OD1-NZ 3.66Å; D127-K134 PolarHBondContact OD1-NZ 2.88Å; D127-K134 WeakPolarHBondContact OD2-CE 3.47Å; D127-K134 IonicContact OD2-NZ 3.86Å; R132-K134 PolarHBondContact O-N 3.44Å
135C83.4Confident76.5Confident0 Ų071.7 Ų71.70%034%0.335CS..SBendtrans-132.499171.5-164.90000111C107 Q124 P133 M143C107-C135 VanDerWaalsContact CA-SG 3.58Å; C107-C135 HydrophobicContact CB-CB 3.94Å; C107-C135 WeakPolarHBondContact CB-SG 3.36Å; C107-C135 WeakPolarHBondContact SG-CA 3.48Å; C107-C135 WeakPolarHBondContact SG-CB 3.2Å; C107-C135 CovalentContact SG-SG 2.04Å; C107-C135 PolarHBondContact SG-SG 2.87Å; Q124-C135 PolarHBondContact OE1-O 3.34Å; Q124-C135 VanDerWaalsContact OE1-O 3.09Å; P133-C135 PolarHBondContact O-N 3.08Å; P133-C135 VanDerWaalsContact O-N 3.15Å; C135-M143 WeakPolarHBondContact SG-CE 3.05Å
136P83.6Confident77.6Confident54 Ų5470.4 Ų70.435%0.35133%0.331SS..  trans-54.7149.7174.5-25.632.2000113K138 H139 L140P136-K138 PolarHBondContact O-N 2.95Å; P136-K138 VanDerWaalsContact O-N 3.1Å; P136-H139 PolarHBondContact O-N 3.31Å; P136-L140 PolarHBondContact O-N 3.37Å; P136-L140 VanDerWaalsContact O-N 3.12Å
137M87Confident79.1Confident3 Ų364 Ų642%0.01530%0.303CS..Hα-helixtrans-53.7-35.3-179.3-71-69-64.700113.1H139 L140 Q141 W182 P184 F186 Y187 F192M137-H139 VanDerWaalsContact C-N 3.28Å; M137-H139 PolarHBondContact O-N 3.34Å; M137-L140 HydrophobicContact CE-CD2 4.38Å; M137-L140 WeakPolarHBondContact O-CA 3.48Å; M137-L140 WeakPolarHBondContact O-CB 3.39Å; M137-L140 PolarHBondContact O-N 3.43Å; M137-L140 VanDerWaalsContact O-N 3.1Å; M137-L140 HydrophobicContact SD-CD2 3.86Å; M137-Q141 PolarHBondContact O-N 2.98Å; M137-W182 HydrophobicContact CB-CZ2 4.41Å; M137-W182 HydrophobicContact CE-CH2 4.08Å; M137-W182 HydrophobicContact CE-CZ2 3.57Å; M137-W182 VanDerWaalsContact O-CZ2 3.27Å; M137-W182 WeakPolarHBondContact O-CZ2 3.46Å; M137-P184 VanDerWaalsContact CB-O 3.31Å; M137-P184 WeakPolarHBondContact CB-O 3.19Å; M137-P184 WeakPolarHBondContact CG-O 3.5Å; M137-F186 HydrophobicContact CE-CB 3.93Å; M137-F186 HydrophobicContact CE-CD1 4.47Å; M137-Y187 HydrophobicContact CG-CD1 3.83Å; M137-Y187 HydrophobicContact CG-CG 4.26Å; M137-F192 HydrophobicContact CE-CE2 4.3Å; M137-F192 HydrophobicContact SD-CD2 4.47Å; M137-F192 HydrophobicContact SD-CE2 3.74Å
138K88.7Confident81Confident148 Ų14861 Ų6164%0.64329%0.287SS*.Hα-helixtrans-59.4-37.6177.2-175.4175.8-178.9178.50112.7P136 R142P136-K138 PolarHBondContact O-N 2.95Å; P136-K138 VanDerWaalsContact O-N 3.1Å; K138-R142 WeakPolarHBondContact O-CG 3.12Å
139H92.1Very high82.9Confident43 Ų4358 Ų5820%0.19927%0.268CS..Hα-helixtrans-76-37174.6-64.6-70.5000111.1V103 P136 M137 Q141 R142 M143V103-H139 HydrophobicContact CB-CB 4.43Å; V103-H139 HydrophobicContact CG1-CB 4.03Å; P136-H139 PolarHBondContact O-N 3.31Å; M137-H139 VanDerWaalsContact C-N 3.28Å; M137-H139 PolarHBondContact O-N 3.34Å; H139-Q141 VanDerWaalsContact C-N 3.34Å; H139-Q141 PolarHBondContact O-N 3.39Å; H139-R142 PolarHBondContact O-N 3.38Å; H139-M143 WeakPolarHBondContact O-CG 3.27Å; H139-M143 PolarHBondContact O-N 3.11Å
140L92Very high84.5Confident0 Ų061 Ų610%027%0.268CS..Hα-helixtrans-56.5-47.8174-178.759.6000111.7V110 F120 P136 M137 R142 M143 L144 F173 W182V110-L140 HydrophobicContact CG1-CD1 3.81Å; F120-L140 HydrophobicContact CE1-CD2 4.48Å; F120-L140 HydrophobicContact CE2-CD1 4.05Å; F120-L140 HydrophobicContact CZ-CD1 3.72Å; F120-L140 HydrophobicContact CZ-CD2 3.98Å; F120-L140 HydrophobicContact CZ-CG 4.49Å; P136-L140 PolarHBondContact O-N 3.37Å; P136-L140 VanDerWaalsContact O-N 3.12Å; M137-L140 HydrophobicContact CE-CD2 4.38Å; M137-L140 WeakPolarHBondContact O-CA 3.48Å; M137-L140 WeakPolarHBondContact O-CB 3.39Å; M137-L140 PolarHBondContact O-N 3.43Å; M137-L140 VanDerWaalsContact O-N 3.1Å; M137-L140 HydrophobicContact SD-CD2 3.86Å; L140-R142 VanDerWaalsContact C-N 3.28Å; L140-R142 PolarHBondContact O-N 2.95Å; L140-M143 HydrophobicContact CB-CE 4.42Å; L140-M143 HydrophobicContact CD1-CE 4.09Å; L140-M143 PolarHBondContact O-N 3.32Å; L140-M143 VanDerWaalsContact O-N 3.12Å; L140-L144 HydrophobicContact CD1-CD1 4.23Å; L140-L144 HydrophobicContact CD1-CD2 4.17Å; L140-L144 HydrophobicContact CD1-CG 4Å; L140-L144 HydrophobicContact CG-CD1 4.11Å; L140-L144 HydrophobicContact CG-CG 4.25Å; L140-L144 WeakPolarHBondContact O-CG 3.1Å; L140-L144 PolarHBondContact O-N 2.82Å; L140-F173 HydrophobicContact CD2-CE1 4.15Å; L140-W182 HydrophobicContact CB-CZ2 4.46Å; L140-W182 HydrophobicContact CG-CH2 4.21Å
141Q94.2Very high86.2Confident25 Ų2556.8 Ų56.812%0.11725%0.249CC..Hα-helixtrans-51.6-50.2177.3-163177.44.500111.5M137 H139 M143 L144 L145 P176 D179 W182M137-Q141 PolarHBondContact O-N 2.98Å; H139-Q141 VanDerWaalsContact C-N 3.34Å; H139-Q141 PolarHBondContact O-N 3.39Å; Q141-M143 VanDerWaalsContact C-N 3.31Å; Q141-M143 PolarHBondContact O-N 2.9Å; Q141-L144 CarbonylContact O-C 3.21Å; Q141-L144 PolarHBondContact O-N 2.78Å; Q141-L145 WeakPolarHBondContact O-CG 3.46Å; Q141-L145 PolarHBondContact O-N 3.43Å; Q141-P176 HydrophobicContact CG-CB 4.45Å; Q141-P176 WeakPolarHBondContact CG-O 3.5Å; Q141-P176 PolarHBondContact NE2-O 3.19Å; Q141-D179 PolarHBondContact NE2-OD1 3.41Å; Q141-W182 VanDerWaalsContact CA-CH2 3.43Å; Q141-W182 HydrophobicContact CB-CD2 3.91Å; Q141-W182 HydrophobicContact CB-CE3 4.3Å; Q141-W182 HydrophobicContact CB-CH2 3.8Å; Q141-W182 HydrophobicContact CB-CZ2 3.33Å; Q141-W182 HydrophobicContact CB-CZ3 4.25Å; Q141-W182 VanDerWaalsContact CD-CD1 3.47Å; Q141-W182 VanDerWaalsContact CD-CG 3.44Å; Q141-W182 HydrophobicContact CG-CD2 3.49Å; Q141-W182 VanDerWaalsContact CG-CD2 3.49Å; Q141-W182 HydrophobicContact CG-CE3 3.75Å; Q141-W182 HydrophobicContact CG-CG 3.98Å; Q141-W182 HydrophobicContact CG-CH2 4.13Å; Q141-W182 HydrophobicContact CG-CZ2 3.88Å; Q141-W182 HydrophobicContact CG-CZ3 4.05Å; Q141-W182 VanDerWaalsContact N-CZ2 3.34Å; Q141-W182 VanDerWaalsContact OE1-CD1 3.23Å
142R94.4Very high88.1Confident40 Ų4049.6 Ų49.615%0.15123%0.227CC..Hα-helixtrans-64.4-35.5-177.2-64.1171.867.2-140.6-6.9112.4L99 N100 P101 K138 H139 L140 L145 C146L99-R142 HydrophobicContact CD1-CB 4.08Å; L99-R142 HydrophobicContact CD2-CB 4.41Å; N100-R142 PolarHBondContact O-NH2 2.81Å; P101-R142 PolarHBondContact O-NH1 2.66Å; P101-R142 PolarHBondContact O-NH2 2.94Å; K138-R142 WeakPolarHBondContact O-CG 3.12Å; H139-R142 PolarHBondContact O-N 3.38Å; L140-R142 VanDerWaalsContact C-N 3.28Å; L140-R142 PolarHBondContact O-N 2.95Å; R142-L145 WeakPolarHBondContact O-CB 3.26Å; R142-C146 PolarHBondContact O-N 2.93Å
143M95.1Very high89.9Confident0 Ų040.9 Ų40.90%020%0.195CC..Hα-helixtrans-71-37.8172.4-63.9-177.3-61.800111.6F92 L99 V103 C107 V110 C135 H139 L140 Q141 L145 C146 A147F92-M143 VanDerWaalsContact CE2-O 3.24Å; F92-M143 WeakPolarHBondContact CE2-O 3.27Å; L99-M143 HydrophobicContact CD1-CG 4.13Å; V103-M143 HydrophobicContact CG1-CG 4.4Å; V103-M143 HydrophobicContact CG2-SD 4.31Å; C107-M143 HydrophobicContact CB-CE 3.76Å; C107-M143 HydrophobicContact CB-SD 3.68Å; V110-M143 HydrophobicContact CB-CE 3.67Å; V110-M143 HydrophobicContact CB-SD 4Å; V110-M143 HydrophobicContact CG1-CE 3.97Å; V110-M143 HydrophobicContact CG2-CE 3.76Å; C135-M143 WeakPolarHBondContact SG-CE 3.05Å; H139-M143 WeakPolarHBondContact O-CG 3.27Å; H139-M143 PolarHBondContact O-N 3.11Å; L140-M143 HydrophobicContact CB-CE 4.42Å; L140-M143 HydrophobicContact CD1-CE 4.09Å; L140-M143 PolarHBondContact O-N 3.32Å; L140-M143 VanDerWaalsContact O-N 3.12Å; Q141-M143 VanDerWaalsContact C-N 3.31Å; Q141-M143 PolarHBondContact O-N 2.9Å; M143-L145 VanDerWaalsContact C-N 3.31Å; M143-L145 PolarHBondContact O-N 2.88Å; M143-C146 VanDerWaalsContact O-CB 3.26Å; M143-C146 WeakPolarHBondContact O-CB 3.39Å; M143-C146 PolarHBondContact O-N 3.16Å; M143-A147 PolarHBondContact O-N 3.27Å
144L95.7Very high91.3Very high6 Ų641.5 Ų41.53%0.03120%0.199CC..Hα-helixtrans-70.2-28.5176.6-61.9-175.4000112.5L140 Q141 C146 A147 A148 F173 P176 W182 Y206L140-L144 HydrophobicContact CD1-CD1 4.23Å; L140-L144 HydrophobicContact CD1-CD2 4.17Å; L140-L144 HydrophobicContact CD1-CG 4Å; L140-L144 HydrophobicContact CG-CD1 4.11Å; L140-L144 HydrophobicContact CG-CG 4.25Å; L140-L144 WeakPolarHBondContact O-CG 3.1Å; L140-L144 PolarHBondContact O-N 2.82Å; Q141-L144 CarbonylContact O-C 3.21Å; Q141-L144 PolarHBondContact O-N 2.78Å; L144-C146 VanDerWaalsContact C-N 3.31Å; L144-C146 PolarHBondContact O-N 3.03Å; L144-A147 WeakPolarHBondContact O-CB 3.35Å; L144-A147 PolarHBondContact O-N 2.77Å; L144-A147 VanDerWaalsContact O-N 3.17Å; L144-A148 VanDerWaalsContact O-CB 3.3Å; L144-A148 WeakPolarHBondContact O-CB 3.2Å; L144-A148 PolarHBondContact O-N 3.31Å; L144-F173 HydrophobicContact CD1-CD1 3.5Å; L144-F173 HydrophobicContact CD1-CE1 4.1Å; L144-F173 HydrophobicContact CD1-CG 4.44Å; L144-P176 HydrophobicContact CB-CB 3.76Å; L144-P176 HydrophobicContact CB-CG 3.82Å; L144-P176 WeakPolarHBondContact O-CG 3.33Å; L144-W182 HydrophobicContact CD1-CH2 3.83Å; L144-W182 HydrophobicContact CD1-CZ3 3.95Å; L144-Y206 HydrophobicContact CD2-CE2 4.19Å
145L95.9Very high92.2Very high46 Ų4642.8 Ų42.824%0.24122%0.216CC..Hα-helixtrans-58.3-44.9168.4-71.2174.7000111.5Q141 R142 M143 A148 K149 E150 P176 A177Q141-L145 WeakPolarHBondContact O-CG 3.46Å; Q141-L145 PolarHBondContact O-N 3.43Å; R142-L145 WeakPolarHBondContact O-CB 3.26Å; M143-L145 VanDerWaalsContact C-N 3.31Å; M143-L145 PolarHBondContact O-N 2.88Å; L145-A148 PolarHBondContact O-N 2.8Å; L145-K149 PolarHBondContact O-N 3.31Å; L145-E150 PolarHBondContact O-N 3.44Å; L145-E150 VanDerWaalsContact O-N 3.12Å; L145-P176 HydrophobicContact CD2-CB 4.27Å; L145-P176 HydrophobicContact CD2-CG 4.21Å; L145-P176 HydrophobicContact CG-CB 4.49Å; L145-A177 VanDerWaalsContact CD2-CA 3.46Å; L145-A177 HydrophobicContact CD2-CB 3.46Å; L145-A177 VanDerWaalsContact CD2-CB 3.46Å
146C96.9Very high92.5Very high9 Ų943.9 Ų43.96%0.06122%0.224CC..Hα-helixtrans-59.3-46.6171.1-82.30000111.7F92 C95 R142 M143 L144 A148 K149 W210F92-C146 HydrophobicContact CD2-CB 3.97Å; F92-C146 HydrophobicContact CE2-CB 3.88Å; C95-C146 HydrophobicContact CB-CB 3.61Å; C95-C146 WeakPolarHBondContact CB-SG 3.47Å; C95-C146 VanDerWaalsContact SG-CA 3.51Å; C95-C146 WeakPolarHBondContact SG-CB 3.16Å; C95-C146 CovalentContact SG-SG 2.04Å; C95-C146 PolarHBondContact SG-SG 2.9Å; R142-C146 PolarHBondContact O-N 2.93Å; M143-C146 VanDerWaalsContact O-CB 3.26Å; M143-C146 WeakPolarHBondContact O-CB 3.39Å; M143-C146 PolarHBondContact O-N 3.16Å; L144-C146 VanDerWaalsContact C-N 3.31Å; L144-C146 PolarHBondContact O-N 3.03Å; C146-A148 VanDerWaalsContact C-N 3.31Å; C146-A148 PolarHBondContact O-N 2.99Å; C146-K149 PolarHBondContact O-N 3.22Å; C146-W210 VanDerWaalsContact O-CZ2 3.31Å; C146-W210 WeakPolarHBondContact O-CZ2 3.41Å
147A96.3Very high92.8Very high0 Ų041.4 Ų41.40%021%0.207CC..Hα-helixtrans-60.8-41.2179.600000112.2F92 M143 L144 K149 Y206 W210F92-A147 HydrophobicContact CD2-CB 4.24Å; F92-A147 HydrophobicContact CE1-CB 4.11Å; F92-A147 HydrophobicContact CE2-CB 3.66Å; F92-A147 HydrophobicContact CZ-CB 3.57Å; M143-A147 PolarHBondContact O-N 3.27Å; L144-A147 WeakPolarHBondContact O-CB 3.35Å; L144-A147 PolarHBondContact O-N 2.77Å; L144-A147 VanDerWaalsContact O-N 3.17Å; A147-K149 VanDerWaalsContact C-N 3.31Å; A147-K149 PolarHBondContact O-N 3.06Å; A147-Y206 VanDerWaalsContact C-CD1 3.47Å; A147-Y206 HydrophobicContact CB-CD1 3.77Å; A147-Y206 HydrophobicContact CB-CD2 3.8Å; A147-Y206 HydrophobicContact CB-CE1 3.89Å; A147-Y206 HydrophobicContact CB-CE2 3.93Å; A147-Y206 HydrophobicContact CB-CG 3.73Å; A147-Y206 WeakPolarHBondContact O-CD1 3.41Å; A147-W210 PolarHBondContact O-NE1 3.29Å
148A95.6Very high92.8Very high1 Ų145.8 Ų45.81%0.00823%0.229CC..Hα-helixtrans-78.6-10.5-179.100000114.1L144 L145 C146 E150 K151 L153 P176 Y206L144-A148 VanDerWaalsContact O-CB 3.3Å; L144-A148 WeakPolarHBondContact O-CB 3.2Å; L144-A148 PolarHBondContact O-N 3.31Å; L145-A148 PolarHBondContact O-N 2.8Å; C146-A148 VanDerWaalsContact C-N 3.31Å; C146-A148 PolarHBondContact O-N 2.99Å; A148-E150 PolarHBondContact O-N 3.11Å; A148-K151 WeakPolarHBondContact O-CB 3.31Å; A148-K151 PolarHBondContact O-N 2.98Å; A148-L153 HydrophobicContact CB-CD1 4.12Å; A148-P176 HydrophobicContact CB-CG 3.99Å; A148-Y206 HydrophobicContact CB-CD1 4.17Å; A148-Y206 HydrophobicContact CB-CE1 3.85Å
149K92.9Very high92.5Very high82 Ų8244.6 Ų44.636%0.35722%0.224SC..THydrogen-bonded Turntrans47.440-165.5-64.1176.860.6-176.10111.9L145 C146 A147 K151 A209 W210L145-K149 PolarHBondContact O-N 3.31Å; C146-K149 PolarHBondContact O-N 3.22Å; A147-K149 VanDerWaalsContact C-N 3.31Å; A147-K149 PolarHBondContact O-N 3.06Å; K149-K151 PolarHBondContact O-N 3.21Å; K149-A209 WeakPolarHBondContact CD-O 3.36Å; K149-W210 HydrophobicContact CD-CB 4.5Å; K149-W210 HydrophobicContact CD-CD2 3.64Å; K149-W210 HydrophobicContact CD-CE3 3.77Å; K149-W210 HydrophobicContact CD-CG 3.99Å; K149-W210 HydrophobicContact CD-CH2 4.5Å; K149-W210 HydrophobicContact CD-CZ2 4.4Å; K149-W210 HydrophobicContact CD-CZ3 4.19Å; K149-W210 HydrophobicContact CG-CD2 3.96Å; K149-W210 HydrophobicContact CG-CE3 4.29Å; K149-W210 HydrophobicContact CG-CG 4.47Å; K149-W210 HydrophobicContact CG-CH2 4.2Å; K149-W210 HydrophobicContact CG-CZ2 3.87Å; K149-W210 HydrophobicContact CG-CZ3 4.39Å
150E88.2Confident91.6Very high153 Ų15348.8 Ų48.872%0.71525%0.248SC*.THydrogen-bonded Turntrans59.69.6-177.8-54.3177-17500115.2L145 A148L145-E150 PolarHBondContact O-N 3.44Å; L145-E150 VanDerWaalsContact O-N 3.12Å; A148-E150 PolarHBondContact O-N 3.11Å
151K93.1Very high90.6Very high72 Ų7258 Ų5831%0.31328%0.284SS..  trans-79.8151.1177.3-63.7179.2178171.20110.9A148 K149 L153 A209 S212A148-K151 WeakPolarHBondContact O-CB 3.31Å; A148-K151 PolarHBondContact O-N 2.98Å; K149-K151 PolarHBondContact O-N 3.21Å; K151-L153 HydrophobicContact CB-CD2 3.88Å; K151-L153 PolarHBondContact O-N 3.06Å; K151-A209 HydrophobicContact CD-CB 4.24Å; K151-A209 PolarHBondContact NZ-O 3.27Å; K151-S212 PolarHBondContact NZ-OG 3.27Å; K151-S212 PolarHBondContact NZ-OXT 3.26Å
152D94.3Very high89.5Confident74 Ų7457.5 Ų57.540%0.39628%0.284SS..  trans-79.4112.4164.9-178.1-3.1000109.6T154 Y175D152-T154 VanDerWaalsContact CG-OG1 3.26Å; D152-T154 WeakPolarHBondContact OD1-CB 3.26Å; D152-T154 WeakPolarHBondContact OD1-CG2 3.49Å; D152-T154 PolarHBondContact OD1-N 2.94Å; D152-T154 PolarHBondContact OD1-OG1 3.12Å; D152-T154 PolarHBondContact OD2-OG1 3.44Å; D152-Y175 HydrophobicContact CB-CD1 4.1Å; D152-Y175 HydrophobicContact CB-CD2 3.96Å; D152-Y175 HydrophobicContact CB-CE1 4.14Å; D152-Y175 HydrophobicContact CB-CE2 3.97Å; D152-Y175 HydrophobicContact CB-CG 4.05Å
153L93.7Very high88.9Confident14 Ų1455.8 Ų55.87%0.07328%0.278CS..  trans-10314179.6-48.2179.4000112.6A148 K151 S155 C156 C157 C174 C205 Y206 A209A148-L153 HydrophobicContact CB-CD1 4.12Å; K151-L153 HydrophobicContact CB-CD2 3.88Å; K151-L153 PolarHBondContact O-N 3.06Å; L153-S155 PolarHBondContact O-N 3.49Å; L153-C156 PolarHBondContact O-N 2.98Å; L153-C156 VanDerWaalsContact O-N 3.15Å; L153-C157 WeakPolarHBondContact O-CB 3.45Å; L153-C157 PolarHBondContact O-N 2.97Å; L153-C174 WeakPolarHBondContact CA-O 2.99Å; L153-C174 VanDerWaalsContact CB-O 3.26Å; L153-C174 WeakPolarHBondContact CB-O 3.48Å; L153-C174 PolarHBondContact N-O 2.68Å; L153-C205 HydrophobicContact CB-CB 4.31Å; L153-C205 HydrophobicContact CD1-CB 4.19Å; L153-Y206 HydrophobicContact CD1-CD1 3.39Å; L153-Y206 HydrophobicContact CD1-CE1 3.75Å; L153-Y206 HydrophobicContact CD1-CG 4.45Å; L153-A209 HydrophobicContact CD1-CB 4.25Å; L153-A209 HydrophobicContact CD2-CB 3.88Å
154T91.8Very high88.1Confident34 Ų3458.3 Ų58.321%0.20929%0.291CS..Hα-helixtrans-52.9-42.4178.2540000112.3D152 C157 M158 M171D152-T154 VanDerWaalsContact CG-OG1 3.26Å; D152-T154 WeakPolarHBondContact OD1-CB 3.26Å; D152-T154 WeakPolarHBondContact OD1-CG2 3.49Å; D152-T154 PolarHBondContact OD1-N 2.94Å; D152-T154 PolarHBondContact OD1-OG1 3.12Å; D152-T154 PolarHBondContact OD2-OG1 3.44Å; T154-C157 PolarHBondContact O-N 3.16Å; T154-M158 WeakPolarHBondContact O-CB 3.27Å; T154-M158 WeakPolarHBondContact O-CG 3.3Å; T154-M158 PolarHBondContact O-N 2.94Å; T154-M171 HydrophobicContact CG2-CE 3.27Å
155S90.4Very high87.1Confident95 Ų9561.6 Ų61.666%0.66432%0.315SS*.Hα-helixtrans-61.7-44.1177.959.40000112.6L153 K159L153-S155 PolarHBondContact O-N 3.49Å; S155-K159 PolarHBondContact O-N 2.99Å
156C90.4Very high86.5Confident23 Ų2365.4 Ų65.416%0.15534%0.335CS..Hα-helixtrans-65.4-44.6175177.30000111.4L153 M158 K159 C205L153-C156 PolarHBondContact O-N 2.98Å; L153-C156 VanDerWaalsContact O-N 3.15Å; C156-M158 VanDerWaalsContact C-N 3.34Å; C156-M158 PolarHBondContact O-N 3.06Å; C156-K159 WeakPolarHBondContact O-CB 3.35Å; C156-K159 PolarHBondContact O-N 3.24Å; C156-C205 HydrophobicContact CB-CB 3.77Å; C156-C205 WeakPolarHBondContact CB-SG 3.5Å; C156-C205 WeakPolarHBondContact SG-CA 3.39Å; C156-C205 WeakPolarHBondContact SG-CB 3.27Å; C156-C205 CovalentContact SG-SG 2.04Å; C156-C205 PolarHBondContact SG-SG 2.89Å
157C90.2Very high86Confident1 Ų165.3 Ų65.31%0.00733%0.334CS..Hα-helixtrans-65.9-32.3179.6-90.10000114.5L153 T154 K159 L163 C174L153-C157 WeakPolarHBondContact O-CB 3.45Å; L153-C157 PolarHBondContact O-N 2.97Å; T154-C157 PolarHBondContact O-N 3.16Å; C157-K159 VanDerWaalsContact C-N 3.26Å; C157-L163 HydrophobicContact CB-CD1 3.6Å; C157-C174 HydrophobicContact CB-CB 3.6Å; C157-C174 WeakPolarHBondContact CB-SG 3.36Å; C157-C174 WeakPolarHBondContact SG-CB 3.36Å; C157-C174 CovalentContact SG-SG 2.02Å; C157-C174 PolarHBondContact SG-SG 3.35Å
158M87.5Confident85.5Confident95 Ų9573.4 Ų73.447%0.46837%0.365SS..THydrogen-bonded Turntrans-84.8-0.5177.4-74.4-172.915600113T154 C156 D160 Y161 M171T154-M158 WeakPolarHBondContact O-CB 3.27Å; T154-M158 WeakPolarHBondContact O-CG 3.3Å; T154-M158 PolarHBondContact O-N 2.94Å; C156-M158 VanDerWaalsContact C-N 3.34Å; C156-M158 PolarHBondContact O-N 3.06Å; M158-D160 PolarHBondContact O-N 3.03Å; M158-Y161 PolarHBondContact O-N 3.22Å; M158-M171 HydrophobicContact CE-CE 3.81Å; M158-M171 HydrophobicContact CE-CG 4.33Å; M158-M171 HydrophobicContact CE-SD 3.83Å; M158-M171 HydrophobicContact CG-CE 3.89Å; M158-M171 HydrophobicContact CG-SD 4.07Å; M158-M171 HydrophobicContact SD-CE 4.11Å
159K82.5Confident85.2Confident123 Ų12375.5 Ų75.554%0.53537%0.374SS..G310 helixtrans-54.4131.7174.4-168.1173.8-177.8176.60109.7S155 C156 C157 Y161 A162S155-K159 PolarHBondContact O-N 2.99Å; C156-K159 WeakPolarHBondContact O-CB 3.35Å; C156-K159 PolarHBondContact O-N 3.24Å; C157-K159 VanDerWaalsContact C-N 3.26Å; K159-Y161 PolarHBondContact O-N 3.15Å; K159-Y161 VanDerWaalsContact O-N 3.12Å; K159-A162 PolarHBondContact O-N 2.84Å
160D72.2Confident85.2Confident131 Ų13171.6 Ų71.670%0.70136%0.357SS*.G310 helixtrans5723.5-178-51.9-37.5000114.8M158 A162M158-D160 PolarHBondContact O-N 3.03Å; D160-A162 PolarHBondContact O-N 3.26Å
161Y71.6Confident85.3Confident195 Ų19564.9 Ų64.977%0.76533%0.326SS*.G310 helixtrans59.726.6-178.2-52.8-85.4000114M158 K159 L163 D164M158-Y161 PolarHBondContact O-N 3.22Å; K159-Y161 PolarHBondContact O-N 3.15Å; K159-Y161 VanDerWaalsContact O-N 3.12Å; Y161-L163 PolarHBondContact O-N 3.48Å; Y161-D164 PolarHBondContact O-N 3.16Å
162A70.9Confident85.3Confident14 Ų1461.7 Ų61.712%0.11631%0.312CS..THydrogen-bonded Turntrans-60.9-21.4-176.700000114.1K159 D160 L201K159-A162 PolarHBondContact O-N 2.84Å; D160-A162 PolarHBondContact O-N 3.26Å; A162-L201 HydrophobicContact CB-CD1 4.32Å; A162-L201 HydrophobicContact CB-CD2 3.56Å
163L81.8Confident85.3Confident3 Ų358.4 Ų58.42%0.01630%0.295CS..THydrogen-bonded Turntrans-120.261173.4-58.5178.5000111C157 Y161 L167 C170 M171 C174 K198 L201 F202C157-L163 HydrophobicContact CB-CD1 3.6Å; Y161-L163 PolarHBondContact O-N 3.48Å; L163-L167 HydrophobicContact CD2-CB 4.27Å; L163-L167 HydrophobicContact CD2-CD1 4.36Å; L163-C170 HydrophobicContact CD2-CB 4.11Å; L163-M171 HydrophobicContact CB-SD 4.06Å; L163-M171 HydrophobicContact CD1-SD 3.59Å; L163-M171 VanDerWaalsContact CD1-SD 3.59Å; L163-C174 WeakPolarHBondContact CD1-SG 3.46Å; L163-K198 HydrophobicContact CD2-CB 4.25Å; L163-K198 HydrophobicContact CD2-CG 4.06Å; L163-L201 HydrophobicContact CD1-CD2 4.4Å; L163-L201 HydrophobicContact CD2-CD2 4.22Å; L163-L201 HydrophobicContact CG-CD2 4Å; L163-F202 HydrophobicContact CD1-CE1 3.76Å; L163-F202 HydrophobicContact CD2-CE1 4.05Å; L163-F202 HydrophobicContact CD2-CZ 4.28Å; L163-F202 HydrophobicContact CG-CE1 4.46Å
164D78.6Confident85.3Confident53 Ų5357.8 Ų57.828%0.28329%0.291SS..  trans-61.6-172.8179.37615.7000114.5Y161 N166 L167 R168Y161-D164 PolarHBondContact O-N 3.16Å; D164-N166 PolarHBondContact O-N 2.76Å; D164-N166 PolarHBondContact OD1-N 2.94Å; D164-L167 CarbonylContact O-C 3.47Å; D164-L167 PolarHBondContact O-N 2.88Å; D164-R168 PolarHBondContact O-N 3.13Å
165S74.5Confident85.5Confident76 Ų7659.4 Ų59.453%0.53129%0.294SS..G310 helixtrans-48.2-33.2-176.766.80000115.4
166N82.9Confident85.7Confident125 Ų12554.9 Ų54.967%0.66826%0.263SS*.G310 helixtrans-85-11.3-177.8-73.1-42.3000113.5D164 H169D164-N166 PolarHBondContact O-N 2.76Å; D164-N166 PolarHBondContact OD1-N 2.94Å; N166-H169 PolarHBondContact O-CE1 3.2Å
167L87.1Confident85.8Confident7 Ų755.8 Ų55.84%0.03727%0.272CS..G310 helixtrans-117.813.2-178.6-63.4179.1000112.8L163 D164 H169 C170 K194 K198L163-L167 HydrophobicContact CD2-CB 4.27Å; L163-L167 HydrophobicContact CD2-CD1 4.36Å; D164-L167 CarbonylContact O-C 3.47Å; D164-L167 PolarHBondContact O-N 2.88Å; L167-H169 PolarHBondContact O-N 3.06Å; L167-H169 VanDerWaalsContact O-N 3.09Å; L167-C170 WeakPolarHBondContact O-CA 3.31Å; L167-C170 WeakPolarHBondContact O-CB 3.33Å; L167-C170 PolarHBondContact O-N 3.13Å; L167-K194 HydrophobicContact CD2-CB 3.97Å; L167-K194 HydrophobicContact CD2-CD 4.49Å; L167-K198 HydrophobicContact CD1-CG 4.35Å
168R85.8Confident85.9Confident170 Ų17057.7 Ų57.764%0.64228%0.282SS*.G310 helixtrans-53.1-33176.5-72.6-166.7-125.3-167.8-3.1113.5D164 C170 M171D164-R168 PolarHBondContact O-N 3.13Å; R168-C170 PolarHBondContact O-N 3.36Å; R168-M171 VanDerWaalsContact O-CB 3.26Å; R168-M171 WeakPolarHBondContact O-CB 3.35Å; R168-M171 WeakPolarHBondContact O-CG 3.44Å; R168-M171 PolarHBondContact O-N 3.18Å
169H88.1Confident86Confident46 Ų4659 Ų5921%0.21329%0.29CS..G310 helixtrans-65.2-17.317660.9-95.6000113.2N166 L167 M171 Q172 F186 R191 C195N166-H169 PolarHBondContact O-CE1 3.2Å; L167-H169 PolarHBondContact O-N 3.06Å; L167-H169 VanDerWaalsContact O-N 3.09Å; H169-M171 VanDerWaalsContact C-N 3.28Å; H169-Q172 PolarHBondContact O-NE2 3.07Å; H169-F186 HydrophobicContact CB-CE2 4.44Å; H169-F186 AromaticContact CD2-CE2 3.83Å; H169-F186 AromaticContact CD2-CZ 3.29Å; H169-F186 WeakPolarHBondContact CD2-CZ 2.96Å; H169-R191 PolarHBondContact NE2-O 2.99Å; H169-C195 PolarHBondContact CD2-SG 3.47Å; H169-C195 PolarHBondContact NE2-SG 3.44Å; H169-C195 VanDerWaalsContact NE2-SG 3.38Å
170C92.6Very high86.3Confident0 Ų061.9 Ų61.90%031%0.306CS..G310 helixtrans-78.7-9.6174.1-54.50000113L163 L167 R168 Q172 F173 C195 F202L163-C170 HydrophobicContact CD2-CB 4.11Å; L167-C170 WeakPolarHBondContact O-CA 3.31Å; L167-C170 WeakPolarHBondContact O-CB 3.33Å; L167-C170 PolarHBondContact O-N 3.13Å; R168-C170 PolarHBondContact O-N 3.36Å; C170-Q172 PolarHBondContact O-N 3.43Å; C170-Q172 VanDerWaalsContact O-N 3.12Å; C170-F173 HydrophobicContact CB-CD2 4.48Å; C170-F173 WeakPolarHBondContact O-CB 3.5Å; C170-F173 WeakPolarHBondContact O-CD2 2.93Å; C170-F173 PolarHBondContact O-N 2.99Å; C170-C195 WeakPolarHBondContact CA-SG 3.44Å; C170-C195 HydrophobicContact CB-CB 3.76Å; C170-C195 WeakPolarHBondContact CB-SG 3.42Å; C170-C195 WeakPolarHBondContact SG-CA 3.49Å; C170-C195 WeakPolarHBondContact SG-CB 3.44Å; C170-C195 CovalentContact SG-SG 2.04Å; C170-C195 PolarHBondContact SG-SG 3.25Å; C170-F202 HydrophobicContact CB-CZ 4.11Å
171M91.9Very high87.1Confident12 Ų1259 Ų596%0.05929%0.29CS..G310 helixtrans-62.7-19.2178.4-65.1-59-64.200113.3T154 M158 L163 R168 H169 F173 C174 Y175 L181T154-M171 HydrophobicContact CG2-CE 3.27Å; M158-M171 HydrophobicContact CE-CE 3.81Å; M158-M171 HydrophobicContact CE-CG 4.33Å; M158-M171 HydrophobicContact CE-SD 3.83Å; M158-M171 HydrophobicContact CG-CE 3.89Å; M158-M171 HydrophobicContact CG-SD 4.07Å; M158-M171 HydrophobicContact SD-CE 4.11Å; L163-M171 HydrophobicContact CB-SD 4.06Å; L163-M171 HydrophobicContact CD1-SD 3.59Å; L163-M171 VanDerWaalsContact CD1-SD 3.59Å; R168-M171 VanDerWaalsContact O-CB 3.26Å; R168-M171 WeakPolarHBondContact O-CB 3.35Å; R168-M171 WeakPolarHBondContact O-CG 3.44Å; R168-M171 PolarHBondContact O-N 3.18Å; H169-M171 VanDerWaalsContact C-N 3.28Å; M171-F173 PolarHBondContact O-N 2.03Å; M171-C174 HydrophobicContact CE-CB 4.19Å; M171-C174 WeakPolarHBondContact O-CA 3.45Å; M171-C174 WeakPolarHBondContact O-CB 3.48Å; M171-C174 PolarHBondContact O-N 3.4Å; M171-Y175 PolarHBondContact O-N 2.84Å; M171-L181 HydrophobicContact CB-CD1 4.27Å
172Q92.7Very high88Confident4 Ų450.6 Ų50.62%0.01926%0.257CS..G310 helixtrans-59.9-26.1171.675.7-171.3-79.900113H169 C170 C174 P176 L181 W182H169-Q172 PolarHBondContact O-NE2 3.07Å; C170-Q172 PolarHBondContact O-N 3.43Å; C170-Q172 VanDerWaalsContact O-N 3.12Å; Q172-C174 VanDerWaalsContact C-N 3.31Å; Q172-P176 WeakPolarHBondContact O-CA 2.99Å; Q172-L181 HydrophobicContact CB-CB 4.2Å; Q172-L181 WeakPolarHBondContact CB-O 3.3Å; Q172-W182 HydrophobicContact CB-CE3 3.91Å; Q172-W182 HydrophobicContact CB-CZ3 4.41Å; Q172-W182 HydrophobicContact CG-CE3 4.19Å; Q172-W182 HydrophobicContact CG-CZ3 4.31Å; Q172-W182 WeakPolarHBondContact O-CZ3 3.14Å
173F94.4Very high88.9Confident6 Ų651.7 Ų51.73%0.02626%0.261CS..G310 helixtrans-82.1-9.9173-61-85.5000112.7L140 L144 C170 M171 F186 F192 C195 F202 Y206L140-F173 HydrophobicContact CD2-CE1 4.15Å; L144-F173 HydrophobicContact CD1-CD1 3.5Å; L144-F173 HydrophobicContact CD1-CE1 4.1Å; L144-F173 HydrophobicContact CD1-CG 4.44Å; C170-F173 HydrophobicContact CB-CD2 4.48Å; C170-F173 WeakPolarHBondContact O-CB 3.5Å; C170-F173 WeakPolarHBondContact O-CD2 2.93Å; C170-F173 PolarHBondContact O-N 2.99Å; M171-F173 PolarHBondContact O-N 2.03Å; F173-F186 HydrophobicContact CE2-CD1 4.22Å; F173-F186 AromaticContact CE2-CE1 3.97Å; F173-F186 HydrophobicContact CE2-CE1 3.97Å; F173-F186 HydrophobicContact CZ-CD1 4.38Å; F173-F186 HydrophobicContact CZ-CE1 4.43Å; F173-F192 HydrophobicContact CE1-CE2 4.41Å; F173-F192 HydrophobicContact CZ-CD2 4.21Å; F173-F192 AromaticContact CZ-CE2 3.72Å; F173-F192 HydrophobicContact CZ-CE2 3.72Å; F173-F192 HydrophobicContact CZ-CZ 4.37Å; F173-C195 HydrophobicContact CD2-CB 3.98Å; F173-C195 HydrophobicContact CE2-CB 3.6Å; F173-C195 HydrophobicContact CZ-CB 4.43Å; F173-F202 HydrophobicContact CB-CD1 4.31Å; F173-F202 HydrophobicContact CB-CD2 3.77Å; F173-F202 HydrophobicContact CB-CE1 4.25Å; F173-F202 HydrophobicContact CB-CE2 3.7Å; F173-F202 HydrophobicContact CB-CG 4.1Å; F173-F202 HydrophobicContact CB-CZ 3.97Å; F173-F202 HydrophobicContact CD2-CE2 4.12Å; F173-F202 HydrophobicContact CD2-CZ 4.38Å; F173-F202 HydrophobicContact CG-CD2 4.23Å; F173-F202 AromaticContact CG-CE2 3.9Å; F173-F202 HydrophobicContact CG-CE2 3.9Å; F173-F202 HydrophobicContact CG-CZ 4.4Å; F173-Y206 PolarHBondContact O-OH 2.03Å
174C94.3Very high89Confident1 Ų155 Ų551%0.00728%0.283CS..THydrogen-bonded Turntrans-98.7-30.1177.7-580000111.4L153 C157 L163 M171 Q172L153-C174 WeakPolarHBondContact CA-O 2.99Å; L153-C174 VanDerWaalsContact CB-O 3.26Å; L153-C174 WeakPolarHBondContact CB-O 3.48Å; L153-C174 PolarHBondContact N-O 2.68Å; C157-C174 HydrophobicContact CB-CB 3.6Å; C157-C174 WeakPolarHBondContact CB-SG 3.36Å; C157-C174 WeakPolarHBondContact SG-CB 3.36Å; C157-C174 CovalentContact SG-SG 2.02Å; C157-C174 PolarHBondContact SG-SG 3.35Å; L163-C174 WeakPolarHBondContact CD1-SG 3.46Å; M171-C174 HydrophobicContact CE-CB 4.19Å; M171-C174 WeakPolarHBondContact O-CA 3.45Å; M171-C174 WeakPolarHBondContact O-CB 3.48Å; M171-C174 PolarHBondContact O-N 3.4Å; Q172-C174 VanDerWaalsContact C-N 3.31Å
175Y94.7Very high89.3Confident68 Ų6861.3 Ų61.327%0.26730%0.303SS..  trans-134.572.6175.7-169.2-165.1000111.1D152 M171 A177 N178D152-Y175 HydrophobicContact CB-CD1 4.1Å; D152-Y175 HydrophobicContact CB-CD2 3.96Å; D152-Y175 HydrophobicContact CB-CE1 4.14Å; D152-Y175 HydrophobicContact CB-CE2 3.97Å; D152-Y175 HydrophobicContact CB-CG 4.05Å; M171-Y175 PolarHBondContact O-N 2.84Å; Y175-A177 HydrophobicContact CD2-CB 4.07Å; Y175-A177 HydrophobicContact CE2-CB 3.7Å; Y175-A177 PolarHBondContact O-N 3.27Å; Y175-N178 HydrophobicContact CD1-CB 3.5Å; Y175-N178 VanDerWaalsContact CD1-CB 3.5Å; Y175-N178 HydrophobicContact CD2-CB 4.41Å; Y175-N178 HydrophobicContact CE1-CB 3.7Å; Y175-N178 HydrophobicContact CG-CB 3.85Å; Y175-N178 PolarHBondContact O-N 3.26Å
176P94.5Very high89.7Confident0 Ų058 Ų580%028%0.278CS..THydrogen-bonded Turntrans-66.5-15-176.425.5-33.6000114Q141 L144 L145 A148 Q172 N178 W182Q141-P176 HydrophobicContact CG-CB 4.45Å; Q141-P176 WeakPolarHBondContact CG-O 3.5Å; Q141-P176 PolarHBondContact NE2-O 3.19Å; L144-P176 HydrophobicContact CB-CB 3.76Å; L144-P176 HydrophobicContact CB-CG 3.82Å; L144-P176 WeakPolarHBondContact O-CG 3.33Å; L145-P176 HydrophobicContact CD2-CB 4.27Å; L145-P176 HydrophobicContact CD2-CG 4.21Å; L145-P176 HydrophobicContact CG-CB 4.49Å; A148-P176 HydrophobicContact CB-CG 3.99Å; Q172-P176 WeakPolarHBondContact O-CA 2.99Å; P176-N178 VanDerWaalsContact C-N 3.29Å; P176-W182 HydrophobicContact CB-CE3 4.35Å; P176-W182 HydrophobicContact CB-CZ3 4.09Å
177A93.1Very high89.3Confident42 Ų4256.7 Ų56.735%0.34727%0.265SS..THydrogen-bonded Turntrans-78.6-11.8173.700000113.5L145 Y175 D179L145-A177 VanDerWaalsContact CD2-CA 3.46Å; L145-A177 HydrophobicContact CD2-CB 3.46Å; L145-A177 VanDerWaalsContact CD2-CB 3.46Å; Y175-A177 HydrophobicContact CD2-CB 4.07Å; Y175-A177 HydrophobicContact CE2-CB 3.7Å; Y175-A177 PolarHBondContact O-N 3.27Å; A177-D179 PolarHBondContact O-N 3.02Å
178N92.7Very high88.5Confident40 Ų4059 Ų5921%0.21429%0.291CS..  trans-88.498.2175.6-171.5-22.8000110.7Y175 P176 Q180 L181 W182Y175-N178 HydrophobicContact CD1-CB 3.5Å; Y175-N178 VanDerWaalsContact CD1-CB 3.5Å; Y175-N178 HydrophobicContact CD2-CB 4.41Å; Y175-N178 HydrophobicContact CE1-CB 3.7Å; Y175-N178 HydrophobicContact CG-CB 3.85Å; Y175-N178 PolarHBondContact O-N 3.26Å; P176-N178 VanDerWaalsContact C-N 3.29Å; N178-Q180 PolarHBondContact O-N 3.49Å; N178-Q180 WeakPolarHBondContact OD1-CA 3.43Å; N178-Q180 VanDerWaalsContact OD1-CB 3.25Å; N178-Q180 WeakPolarHBondContact OD1-CB 3.35Å; N178-Q180 PolarHBondContact OD1-N 3.4Å; N178-L181 HydrophobicContact CB-CB 4.38Å; N178-L181 HydrophobicContact CB-CD1 4.06Å; N178-L181 HydrophobicContact CB-CG 4.15Å; N178-L181 PolarHBondContact O-N 3.26Å; N178-L181 PolarHBondContact OD1-N 2.79Å; N178-W182 PolarHBondContact O-N 2.88Å
179D88.8Confident88Confident122 Ų12254.6 Ų54.665%0.65228%0.276SS*.THydrogen-bonded Turntrans-62.6-20.3178.6-71.5-31.3000113.7Q141 A177 L181Q141-D179 PolarHBondContact NE2-OD1 3.41Å; A177-D179 PolarHBondContact O-N 3.02Å; D179-L181 VanDerWaalsContact C-N 3.32Å
180Q88.8Confident87.6Confident185 Ų18556.1 Ų56.186%0.86430%0.296SS*.THydrogen-bonded Turntrans-72.6-27.9174.5-55.2-177.1-4.400112.1N178N178-Q180 PolarHBondContact O-N 3.49Å; N178-Q180 WeakPolarHBondContact OD1-CA 3.43Å; N178-Q180 VanDerWaalsContact OD1-CB 3.25Å; N178-Q180 WeakPolarHBondContact OD1-CB 3.35Å; N178-Q180 PolarHBondContact OD1-N 3.4Å
181L89.1Confident87.3Confident70 Ų7063 Ų6337%0.36632%0.322SS..THydrogen-bonded Turntrans-85.1-28.3175.3-63.3179.4000111.9M171 Q172 N178 D179 D183M171-L181 HydrophobicContact CB-CD1 4.27Å; Q172-L181 HydrophobicContact CB-CB 4.2Å; Q172-L181 WeakPolarHBondContact CB-O 3.3Å; N178-L181 HydrophobicContact CB-CB 4.38Å; N178-L181 HydrophobicContact CB-CD1 4.06Å; N178-L181 HydrophobicContact CB-CG 4.15Å; N178-L181 PolarHBondContact O-N 3.26Å; N178-L181 PolarHBondContact OD1-N 2.79Å; D179-L181 VanDerWaalsContact C-N 3.32Å; L181-D183 PolarHBondContact O-N 3.07Å
182W91Very high86.9Confident18 Ų1862.4 Ų62.47%0.06832%0.319CS..  trans-76.9115.7-172.6-165.1-96.2000112.5M137 L140 Q141 L144 Q172 P176 N178 P184M137-W182 HydrophobicContact CB-CZ2 4.41Å; M137-W182 HydrophobicContact CE-CH2 4.08Å; M137-W182 HydrophobicContact CE-CZ2 3.57Å; M137-W182 VanDerWaalsContact O-CZ2 3.27Å; M137-W182 WeakPolarHBondContact O-CZ2 3.46Å; L140-W182 HydrophobicContact CB-CZ2 4.46Å; L140-W182 HydrophobicContact CG-CH2 4.21Å; Q141-W182 VanDerWaalsContact CA-CH2 3.43Å; Q141-W182 HydrophobicContact CB-CD2 3.91Å; Q141-W182 HydrophobicContact CB-CE3 4.3Å; Q141-W182 HydrophobicContact CB-CH2 3.8Å; Q141-W182 HydrophobicContact CB-CZ2 3.33Å; Q141-W182 HydrophobicContact CB-CZ3 4.25Å; Q141-W182 VanDerWaalsContact CD-CD1 3.47Å; Q141-W182 VanDerWaalsContact CD-CG 3.44Å; Q141-W182 HydrophobicContact CG-CD2 3.49Å; Q141-W182 VanDerWaalsContact CG-CD2 3.49Å; Q141-W182 HydrophobicContact CG-CE3 3.75Å; Q141-W182 HydrophobicContact CG-CG 3.98Å; Q141-W182 HydrophobicContact CG-CH2 4.13Å; Q141-W182 HydrophobicContact CG-CZ2 3.88Å; Q141-W182 HydrophobicContact CG-CZ3 4.05Å; Q141-W182 VanDerWaalsContact N-CZ2 3.34Å; Q141-W182 VanDerWaalsContact OE1-CD1 3.23Å; L144-W182 HydrophobicContact CD1-CH2 3.83Å; L144-W182 HydrophobicContact CD1-CZ3 3.95Å; Q172-W182 HydrophobicContact CB-CE3 3.91Å; Q172-W182 HydrophobicContact CB-CZ3 4.41Å; Q172-W182 HydrophobicContact CG-CE3 4.19Å; Q172-W182 HydrophobicContact CG-CZ3 4.31Å; Q172-W182 WeakPolarHBondContact O-CZ3 3.14Å; P176-W182 HydrophobicContact CB-CE3 4.35Å; P176-W182 HydrophobicContact CB-CZ3 4.09Å; N178-W182 PolarHBondContact O-N 2.88Å; W182-P184 WeakPolarHBondContact O-CD 3.34Å
183D89.5Confident86.6Confident38 Ų3865.9 Ų65.920%0.20334%0.338CS..  trans-101.4104.3172173.217000109.5L181 R185 F186 K189L181-D183 PolarHBondContact O-N 3.07Å; D183-R185 PolarHBondContact O-N 3.24Å; D183-R185 WeakPolarHBondContact OD1-CA 3.42Å; D183-R185 WeakPolarHBondContact OD1-CB 3.4Å; D183-R185 PolarHBondContact OD1-N 3.39Å; D183-R185 IonicContact OD1-NE 3.93Å; D183-F186 HydrophobicContact CB-CB 3.93Å; D183-F186 WeakPolarHBondContact O-CB 3.28Å; D183-F186 PolarHBondContact O-N 2.01Å; D183-K189 IonicContact OD2-NZ 2.74Å; D183-K189 PolarHBondContact OD2-NZ 3.39Å
184P85Confident86.3Confident73 Ų7371.5 Ų71.547%0.47436%0.362SS..THydrogen-bonded Turntrans-64.2-14.4179.726.3-34.5000113M137 W182M137-P184 VanDerWaalsContact CB-O 3.31Å; M137-P184 WeakPolarHBondContact CB-O 3.19Å; M137-P184 WeakPolarHBondContact CG-O 3.5Å; W182-P184 WeakPolarHBondContact O-CD 3.34Å
185R83Confident86.1Confident185 Ų18571.4 Ų71.470%0.69836%0.362SS*.THydrogen-bonded Turntrans-10013.3176.2-56.7172.8-67-175.4-3111.9D183 Y187 K189D183-R185 PolarHBondContact O-N 3.24Å; D183-R185 WeakPolarHBondContact OD1-CA 3.42Å; D183-R185 WeakPolarHBondContact OD1-CB 3.4Å; D183-R185 PolarHBondContact OD1-N 3.39Å; D183-R185 IonicContact OD1-NE 3.93Å; R185-Y187 VanDerWaalsContact C-N 3.26Å; R185-Y187 PolarHBondContact O-N 2.72Å; R185-K189 WeakPolarHBondContact O-CE 3.34Å; R185-K189 PolarHBondContact O-NZ 3.35Å
186F82.9Confident85.8Confident5 Ų568.5 Ų68.52%0.02235%0.351CS..  trans-70.8-23-175.9-166.7-123.9000113M137 H169 F173 D183 K189 R191 F192 C195M137-F186 HydrophobicContact CE-CB 3.93Å; M137-F186 HydrophobicContact CE-CD1 4.47Å; H169-F186 HydrophobicContact CB-CE2 4.44Å; H169-F186 AromaticContact CD2-CE2 3.83Å; H169-F186 AromaticContact CD2-CZ 3.29Å; H169-F186 WeakPolarHBondContact CD2-CZ 2.96Å; F173-F186 HydrophobicContact CE2-CD1 4.22Å; F173-F186 AromaticContact CE2-CE1 3.97Å; F173-F186 HydrophobicContact CE2-CE1 3.97Å; F173-F186 HydrophobicContact CZ-CD1 4.38Å; F173-F186 HydrophobicContact CZ-CE1 4.43Å; D183-F186 HydrophobicContact CB-CB 3.93Å; D183-F186 WeakPolarHBondContact O-CB 3.28Å; D183-F186 PolarHBondContact O-N 2.01Å; F186-K189 HydrophobicContact CD2-CD 4.14Å; F186-R191 HydrophobicContact CE2-CB 4.12Å; F186-R191 HydrophobicContact CZ-CB 4.15Å; F186-F192 HydrophobicContact CD1-CB 4.34Å; F186-F192 AromaticContact CD1-CD2 3.47Å; F186-F192 HydrophobicContact CD1-CD2 3.47Å; F186-F192 VanDerWaalsContact CD1-CD2 3.47Å; F186-F192 HydrophobicContact CD1-CE2 4.26Å; F186-F192 HydrophobicContact CD1-CG 4.37Å; F186-F192 HydrophobicContact CE1-CB 4.01Å; F186-F192 AromaticContact CE1-CD2 3.73Å; F186-F192 HydrophobicContact CE1-CD2 3.73Å; F186-F192 HydrophobicContact CE1-CG 4.28Å; F186-F192 HydrophobicContact CG-CD2 4.3Å; F186-F192 HydrophobicContact CZ-CB 4.31Å; F186-C195 HydrophobicContact CE1-CB 4.48Å
187Y75.7Confident85.5Confident98 Ų9872.3 Ų72.338%0.38437%0.371SS..THydrogen-bonded Turntrans-59147.1176.977.4-85.5000112.3P133 M137 R185 K189P133-Y187 HydrophobicContact CG-CD2 4.15Å; P133-Y187 HydrophobicContact CG-CE2 4.19Å; M137-Y187 HydrophobicContact CG-CD1 3.83Å; M137-Y187 HydrophobicContact CG-CG 4.26Å; R185-Y187 VanDerWaalsContact C-N 3.26Å; R185-Y187 PolarHBondContact O-N 2.72Å; Y187-K189 PolarHBondContact O-N 2.78Å; Y187-K189 VanDerWaalsContact O-N 3.15Å
188G70.1Confident85.4Confident56 Ų5671.7 Ų71.758%0.57736%0.361SS*.THydrogen-bonded Turntrans77.3-9.1175.700000114.9F125F125-G188 VanDerWaalsContact CE1-CA 3.5Å; F125-G188 VanDerWaalsContact CZ-N 3.29Å
189K75.9Confident85.3Confident78 Ų7870 Ų7034%0.33935%0.352SS..SBendtrans-76142.1174-62.3178.3-176.9168.10109.7D183 R185 F186 Y187 R191 F192D183-K189 IonicContact OD2-NZ 2.74Å; D183-K189 PolarHBondContact OD2-NZ 3.39Å; R185-K189 WeakPolarHBondContact O-CE 3.34Å; R185-K189 PolarHBondContact O-NZ 3.35Å; F186-K189 HydrophobicContact CD2-CD 4.14Å; Y187-K189 PolarHBondContact O-N 2.78Å; Y187-K189 VanDerWaalsContact O-N 3.15Å; K189-R191 PolarHBondContact O-N 3.44Å; K189-R191 VanDerWaalsContact O-N 3.08Å; K189-F192 WeakPolarHBondContact O-CA 3.3Å; K189-F192 WeakPolarHBondContact O-CB 2.96Å; K189-F192 PolarHBondContact O-N 3.04Å
190A80Confident85.4Confident77 Ų7766.3 Ų66.364%0.63633%0.334SS*.Hα-helixtrans-56.5-29174.600000113F192 L193A190-F192 VanDerWaalsContact C-N 3.28Å; A190-F192 PolarHBondContact O-N 3.3Å; A190-L193 WeakPolarHBondContact O-CB 3.29Å; A190-L193 PolarHBondContact O-N 3.45Å
191R84.5Confident85.4Confident144 Ų14459.6 Ų59.654%0.54330%0.304SS..Hα-helixtrans-67.8-24.9174.1-66.5-167.2-67-164.5-0.2113.6H169 F186 K189 K194 C195H169-R191 PolarHBondContact NE2-O 2.99Å; F186-R191 HydrophobicContact CE2-CB 4.12Å; F186-R191 HydrophobicContact CZ-CB 4.15Å; K189-R191 PolarHBondContact O-N 3.44Å; K189-R191 VanDerWaalsContact O-N 3.08Å; R191-K194 PolarHBondContact O-N 3.09Å; R191-C195 PolarHBondContact O-N 3.3Å; R191-C195 PolarHBondContact O-SG 2.82Å
192F85Confident85.6Confident0 Ų056.4 Ų56.40%029%0.287CS..Hα-helixtrans-62.8-44.6173.1-176.2-90.4000110.9F120 Q124 F125 M137 F173 F186 K189 A190 K194 C195 V196F120-F192 HydrophobicContact CE1-CE1 4.48Å; F120-F192 HydrophobicContact CE1-CZ 4.06Å; Q124-F192 HydrophobicContact CG-CE1 4.39Å; Q124-F192 HydrophobicContact CG-CZ 4.17Å; F125-F192 AromaticContact CE2-CD1 3.55Å; F125-F192 HydrophobicContact CE2-CD1 3.55Å; F125-F192 AromaticContact CE2-CE1 3.41Å; F125-F192 HydrophobicContact CE2-CE1 3.41Å; F125-F192 VanDerWaalsContact CE2-CE1 3.41Å; F125-F192 HydrophobicContact CE2-CZ 4.38Å; F125-F192 AromaticContact CZ-CD1 3.67Å; F125-F192 HydrophobicContact CZ-CD1 3.67Å; F125-F192 AromaticContact CZ-CE1 3.78Å; F125-F192 HydrophobicContact CZ-CE1 3.78Å; F125-F192 HydrophobicContact CZ-CG 4.35Å; M137-F192 HydrophobicContact CE-CE2 4.3Å; M137-F192 HydrophobicContact SD-CD2 4.47Å; M137-F192 HydrophobicContact SD-CE2 3.74Å; F173-F192 HydrophobicContact CE1-CE2 4.41Å; F173-F192 HydrophobicContact CZ-CD2 4.21Å; F173-F192 AromaticContact CZ-CE2 3.72Å; F173-F192 HydrophobicContact CZ-CE2 3.72Å; F173-F192 HydrophobicContact CZ-CZ 4.37Å; F186-F192 HydrophobicContact CD1-CB 4.34Å; F186-F192 AromaticContact CD1-CD2 3.47Å; F186-F192 HydrophobicContact CD1-CD2 3.47Å; F186-F192 VanDerWaalsContact CD1-CD2 3.47Å; F186-F192 HydrophobicContact CD1-CE2 4.26Å; F186-F192 HydrophobicContact CD1-CG 4.37Å; F186-F192 HydrophobicContact CE1-CB 4.01Å; F186-F192 AromaticContact CE1-CD2 3.73Å; F186-F192 HydrophobicContact CE1-CD2 3.73Å; F186-F192 HydrophobicContact CE1-CG 4.28Å; F186-F192 HydrophobicContact CG-CD2 4.3Å; F186-F192 HydrophobicContact CZ-CB 4.31Å; K189-F192 WeakPolarHBondContact O-CA 3.3Å; K189-F192 WeakPolarHBondContact O-CB 2.96Å; K189-F192 PolarHBondContact O-N 3.04Å; A190-F192 VanDerWaalsContact C-N 3.28Å; A190-F192 PolarHBondContact O-N 3.3Å; F192-K194 VanDerWaalsContact C-N 3.27Å; F192-K194 PolarHBondContact O-N 3.03Å; F192-C195 WeakPolarHBondContact O-CA 3.44Å; F192-C195 WeakPolarHBondContact O-CB 2.99Å; F192-C195 PolarHBondContact O-N 2.84Å; F192-V196 HydrophobicContact CD1-CG2 3.58Å; F192-V196 HydrophobicContact CE1-CG2 3.22Å; F192-V196 HydrophobicContact CG-CG2 4.5Å; F192-V196 HydrophobicContact CZ-CG2 3.92Å; F192-V196 WeakPolarHBondContact O-CG2 3.45Å; F192-V196 PolarHBondContact O-N 3.23Å
193L84.7Confident85.6Confident77 Ų7756 Ų5640%0.40329%0.287SS..Hα-helixtrans-56-44178.3-66.1176.4000111.6Y121 A190 C195 V196 D197Y121-L193 HydrophobicContact CD2-CD2 3.37Å; Y121-L193 HydrophobicContact CE2-CD2 3.35Å; Y121-L193 HydrophobicContact CG-CD2 4.47Å; A190-L193 WeakPolarHBondContact O-CB 3.29Å; A190-L193 PolarHBondContact O-N 3.45Å; L193-C195 PolarHBondContact O-N 3.06Å; L193-V196 PolarHBondContact O-N 3.26Å; L193-D197 PolarHBondContact O-N 2.96Å
194K88.1Confident85.7Confident124 Ų12457.3 Ų57.354%0.53929%0.292SS..Hα-helixtrans-59.6-31.2176.3-62.2-171.8177.1-172.50113.2L167 R191 F192L167-K194 HydrophobicContact CD2-CB 3.97Å; L167-K194 HydrophobicContact CD2-CD 4.49Å; R191-K194 PolarHBondContact O-N 3.09Å; F192-K194 VanDerWaalsContact C-N 3.27Å; F192-K194 PolarHBondContact O-N 3.03Å
195C90.4Very high86Confident0 Ų054 Ų540%027%0.27CS..Hα-helixtrans-76.6-39.6173.8-56.20000111.8H169 C170 F173 F186 R191 F192 L193 D197 K198 F202H169-C195 PolarHBondContact CD2-SG 3.47Å; H169-C195 PolarHBondContact NE2-SG 3.44Å; H169-C195 VanDerWaalsContact NE2-SG 3.38Å; C170-C195 WeakPolarHBondContact CA-SG 3.44Å; C170-C195 HydrophobicContact CB-CB 3.76Å; C170-C195 WeakPolarHBondContact CB-SG 3.42Å; C170-C195 WeakPolarHBondContact SG-CA 3.49Å; C170-C195 WeakPolarHBondContact SG-CB 3.44Å; C170-C195 CovalentContact SG-SG 2.04Å; C170-C195 PolarHBondContact SG-SG 3.25Å; F173-C195 HydrophobicContact CD2-CB 3.98Å; F173-C195 HydrophobicContact CE2-CB 3.6Å; F173-C195 HydrophobicContact CZ-CB 4.43Å; F186-C195 HydrophobicContact CE1-CB 4.48Å; R191-C195 PolarHBondContact O-N 3.3Å; R191-C195 PolarHBondContact O-SG 2.82Å; F192-C195 WeakPolarHBondContact O-CA 3.44Å; F192-C195 WeakPolarHBondContact O-CB 2.99Å; F192-C195 PolarHBondContact O-N 2.84Å; L193-C195 PolarHBondContact O-N 3.06Å; C195-D197 PolarHBondContact O-N 3.46Å; C195-K198 CarbonylContact O-C 3.59Å; C195-K198 WeakPolarHBondContact O-CA 3.42Å; C195-K198 WeakPolarHBondContact O-CB 3.35Å; C195-K198 PolarHBondContact O-N 2.95Å; C195-F202 WeakPolarHBondContact O-CE2 3.5Å
196V89.1Confident86.5Confident6 Ų645.4 Ų45.44%0.03624%0.238CC..Hα-helixtrans-61.6-33.7177177.50000111.6P117 F120 F192 L193 K198 L199P117-V196 HydrophobicContact CB-CG1 4.01Å; P117-V196 WeakPolarHBondContact CB-O 3.45Å; P117-V196 VanDerWaalsContact O-CG1 3.26Å; P117-V196 WeakPolarHBondContact O-CG1 3.45Å; F120-V196 HydrophobicContact CB-CG1 4.4Å; F120-V196 HydrophobicContact CD1-CG1 3.98Å; F120-V196 HydrophobicContact CD1-CG2 3.9Å; F120-V196 HydrophobicContact CE1-CG2 4.07Å; F192-V196 HydrophobicContact CD1-CG2 3.58Å; F192-V196 HydrophobicContact CE1-CG2 3.22Å; F192-V196 HydrophobicContact CG-CG2 4.5Å; F192-V196 HydrophobicContact CZ-CG2 3.92Å; F192-V196 WeakPolarHBondContact O-CG2 3.45Å; F192-V196 PolarHBondContact O-N 3.23Å; L193-V196 PolarHBondContact O-N 3.26Å; V196-K198 PolarHBondContact O-N 3.17Å; V196-K198 VanDerWaalsContact O-N 3.16Å; V196-L199 WeakPolarHBondContact O-CB 3.39Å; V196-L199 PolarHBondContact O-N 3.41Å
197D88.6Confident87Confident80 Ų8046.8 Ų46.843%0.42824%0.243SC..THydrogen-bonded Turntrans-61.1-22.4173.2-65.8-24.5000113Y39 L193 C195Y39-D197 PolarHBondContact OH-O 3.29Å; L193-D197 PolarHBondContact O-N 2.96Å; C195-D197 PolarHBondContact O-N 3.46Å
198K90.5Very high87.7Confident29 Ų2945.6 Ų45.613%0.12624%0.241CC..THydrogen-bonded Turntrans-947.1175.7-56.5-60.3-173.4173.80113.1Y34 L163 L167 C195 V196 P200 L201 F202Y34-K198 PolarHBondContact O-NZ 2.85Å; L163-K198 HydrophobicContact CD2-CB 4.25Å; L163-K198 HydrophobicContact CD2-CG 4.06Å; L167-K198 HydrophobicContact CD1-CG 4.35Å; C195-K198 CarbonylContact O-C 3.59Å; C195-K198 WeakPolarHBondContact O-CA 3.42Å; C195-K198 WeakPolarHBondContact O-CB 3.35Å; C195-K198 PolarHBondContact O-N 2.95Å; V196-K198 PolarHBondContact O-N 3.17Å; V196-K198 VanDerWaalsContact O-N 3.16Å; K198-P200 VanDerWaalsContact C-N 3.33Å; K198-L201 VanDerWaalsContact O-CB 3.26Å; K198-L201 WeakPolarHBondContact O-CB 3.46Å; K198-L201 PolarHBondContact O-N 3.3Å; K198-F202 HydrophobicContact CB-CE1 4.21Å; K198-F202 HydrophobicContact CB-CE2 4.11Å; K198-F202 HydrophobicContact CB-CZ 3.72Å; K198-F202 PolarHBondContact O-N 3.03Å
199L90.8Very high88.6Confident6 Ų643 Ų433%0.03121%0.214CC..Hα-helixtrans-51.3-40.5177.5-177.368.4000114.6N115 P117 F120 V196 L201 F202 N203N115-L199 HydrophobicContact CB-CD2 4.26Å; N115-L199 VanDerWaalsContact O-CD2 3.27Å; N115-L199 WeakPolarHBondContact O-CD2 3.5Å; P117-L199 HydrophobicContact CG-CB 4.4Å; F120-L199 HydrophobicContact CB-CD2 3.46Å; F120-L199 VanDerWaalsContact CB-CD2 3.46Å; F120-L199 HydrophobicContact CD2-CD1 4.06Å; F120-L199 HydrophobicContact CD2-CD2 3.95Å; F120-L199 HydrophobicContact CE2-CD1 4.24Å; F120-L199 HydrophobicContact CG-CD1 4.43Å; F120-L199 HydrophobicContact CG-CD2 3.81Å; V196-L199 WeakPolarHBondContact O-CB 3.39Å; V196-L199 PolarHBondContact O-N 3.41Å; L199-L201 PolarHBondContact O-N 2.92Å; L199-F202 HydrophobicContact CD1-CD2 4.46Å; L199-F202 PolarHBondContact O-N 3.27Å; L199-F202 VanDerWaalsContact O-N 3.16Å; L199-N203 WeakPolarHBondContact O-CB 3.45Å; L199-N203 PolarHBondContact O-N 3.29Å
200P89.8Confident89.3Confident43 Ų4341 Ų4128%0.27921%0.205SC..Hα-helixtrans-59.9-34177.3-25.336000113.4P117 K198 Q204P117-P200 HydrophobicContact CG-CG 4.32Å; K198-P200 VanDerWaalsContact C-N 3.33Å; P200-Q204 WeakPolarHBondContact O-CB 3.33Å; P200-Q204 PolarHBondContact O-N 3.34Å
201L89.8Confident89.5Confident44 Ų4440.5 Ų40.523%0.2319%0.19CC..Hα-helixtrans-65.8-49.1174.8175.671.8000110.5A162 L163 K198 L199 N203 Q204 C205A162-L201 HydrophobicContact CB-CD1 4.32Å; A162-L201 HydrophobicContact CB-CD2 3.56Å; L163-L201 HydrophobicContact CD1-CD2 4.4Å; L163-L201 HydrophobicContact CD2-CD2 4.22Å; L163-L201 HydrophobicContact CG-CD2 4Å; K198-L201 VanDerWaalsContact O-CB 3.26Å; K198-L201 WeakPolarHBondContact O-CB 3.46Å; K198-L201 PolarHBondContact O-N 3.3Å; L199-L201 PolarHBondContact O-N 2.92Å; L201-N203 VanDerWaalsContact C-N 3.34Å; L201-N203 PolarHBondContact O-N 3.14Å; L201-Q204 WeakPolarHBondContact O-CB 3.44Å; L201-Q204 PolarHBondContact O-N 2.99Å; L201-C205 PolarHBondContact O-N 3.04Å; L201-C205 VanDerWaalsContact O-N 3.09Å
202F93Very high89.4Confident3 Ų338.8 Ų38.81%0.01320%0.2CC..Hα-helixtrans-60.4-45.4178.3-50-35.4000111.2L163 C170 F173 C195 K198 L199 Q204 C205 Y206L163-F202 HydrophobicContact CD1-CE1 3.76Å; L163-F202 HydrophobicContact CD2-CE1 4.05Å; L163-F202 HydrophobicContact CD2-CZ 4.28Å; L163-F202 HydrophobicContact CG-CE1 4.46Å; C170-F202 HydrophobicContact CB-CZ 4.11Å; F173-F202 HydrophobicContact CB-CD1 4.31Å; F173-F202 HydrophobicContact CB-CD2 3.77Å; F173-F202 HydrophobicContact CB-CE1 4.25Å; F173-F202 HydrophobicContact CB-CE2 3.7Å; F173-F202 HydrophobicContact CB-CG 4.1Å; F173-F202 HydrophobicContact CB-CZ 3.97Å; F173-F202 HydrophobicContact CD2-CE2 4.12Å; F173-F202 HydrophobicContact CD2-CZ 4.38Å; F173-F202 HydrophobicContact CG-CD2 4.23Å; F173-F202 AromaticContact CG-CE2 3.9Å; F173-F202 HydrophobicContact CG-CE2 3.9Å; F173-F202 HydrophobicContact CG-CZ 4.4Å; C195-F202 WeakPolarHBondContact O-CE2 3.5Å; K198-F202 HydrophobicContact CB-CE1 4.21Å; K198-F202 HydrophobicContact CB-CE2 4.11Å; K198-F202 HydrophobicContact CB-CZ 3.72Å; K198-F202 PolarHBondContact O-N 3.03Å; L199-F202 HydrophobicContact CD1-CD2 4.46Å; L199-F202 PolarHBondContact O-N 3.27Å; L199-F202 VanDerWaalsContact O-N 3.16Å; F202-Q204 VanDerWaalsContact C-N 3.26Å; F202-Q204 PolarHBondContact O-N 2.9Å; F202-C205 PolarHBondContact O-N 2.98Å; F202-C205 VanDerWaalsContact O-N 3.12Å; F202-Y206 HydrophobicContact CB-CD2 4.42Å; F202-Y206 HydrophobicContact CB-CE2 3.92Å; F202-Y206 WeakPolarHBondContact O-CD2 3.29Å; F202-Y206 VanDerWaalsContact O-CG 3.28Å; F202-Y206 PolarHBondContact O-N 3.41Å
203N91.6Very high89.6Confident11 Ų1140.8 Ų40.86%0.05921%0.211CC..Hα-helixtrans-62.6-33.3179.2-70.8-5000112.7L113 N115 L199 L201 Y207L113-N203 HydrophobicContact CB-CB 4.29Å; L113-N203 HydrophobicContact CD2-CB 4.49Å; L113-N203 PolarHBondContact O-ND2 3.47Å; N115-N203 PolarHBondContact O-ND2 3.41Å; L199-N203 WeakPolarHBondContact O-CB 3.45Å; L199-N203 PolarHBondContact O-N 3.29Å; L201-N203 VanDerWaalsContact C-N 3.34Å; L201-N203 PolarHBondContact O-N 3.14Å; N203-Y207 WeakPolarHBondContact O-CB 3.36Å; N203-Y207 PolarHBondContact O-N 3.46Å
204Q90.8Very high89.9Confident65 Ų6538.8 Ų38.830%0.30420%0.2SC..Hα-helixtrans-67.1-45.5173.3-17857.829.900111.3P200 L201 F202 Y206 Y207 E208P200-Q204 WeakPolarHBondContact O-CB 3.33Å; P200-Q204 PolarHBondContact O-N 3.34Å; L201-Q204 WeakPolarHBondContact O-CB 3.44Å; L201-Q204 PolarHBondContact O-N 2.99Å; F202-Q204 VanDerWaalsContact C-N 3.26Å; F202-Q204 PolarHBondContact O-N 2.9Å; Q204-Y206 VanDerWaalsContact C-N 3.34Å; Q204-Y206 PolarHBondContact O-N 2.94Å; Q204-Y207 WeakPolarHBondContact O-CB 3.41Å; Q204-Y207 PolarHBondContact O-N 3.19Å; Q204-E208 PolarHBondContact NE2-OE1 2.96Å; Q204-E208 WeakPolarHBondContact O-CG 3.45Å; Q204-E208 PolarHBondContact O-N 3.23Å
205C91.7Very high90Very high3 Ų334.1 Ų34.12%0.0218%0.182CC..Hα-helixtrans-63.4-39.2176.1-66.40000112.7L153 C156 L201 F202 E208 A209L153-C205 HydrophobicContact CB-CB 4.31Å; L153-C205 HydrophobicContact CD1-CB 4.19Å; C156-C205 HydrophobicContact CB-CB 3.77Å; C156-C205 WeakPolarHBondContact CB-SG 3.5Å; C156-C205 WeakPolarHBondContact SG-CA 3.39Å; C156-C205 WeakPolarHBondContact SG-CB 3.27Å; C156-C205 CovalentContact SG-SG 2.04Å; C156-C205 PolarHBondContact SG-SG 2.89Å; L201-C205 PolarHBondContact O-N 3.04Å; L201-C205 VanDerWaalsContact O-N 3.09Å; F202-C205 PolarHBondContact O-N 2.98Å; F202-C205 VanDerWaalsContact O-N 3.12Å; C205-E208 PolarHBondContact O-N 2.91Å; C205-A209 PolarHBondContact O-N 3.36Å
206Y94.4Very high89.9Confident4 Ų436.1 Ų36.12%0.01619%0.192CC..Hα-helixtrans-60.6-49.3172.2-64.4-41000110.8L113 L144 A147 A148 L153 F173 F202 Q204 E208 A209 W210L113-Y206 HydrophobicContact CD2-CD2 4Å; L113-Y206 HydrophobicContact CD2-CG 4.27Å; L144-Y206 HydrophobicContact CD2-CE2 4.19Å; A147-Y206 VanDerWaalsContact C-CD1 3.47Å; A147-Y206 HydrophobicContact CB-CD1 3.77Å; A147-Y206 HydrophobicContact CB-CD2 3.8Å; A147-Y206 HydrophobicContact CB-CE1 3.89Å; A147-Y206 HydrophobicContact CB-CE2 3.93Å; A147-Y206 HydrophobicContact CB-CG 3.73Å; A147-Y206 WeakPolarHBondContact O-CD1 3.41Å; A148-Y206 HydrophobicContact CB-CD1 4.17Å; A148-Y206 HydrophobicContact CB-CE1 3.85Å; L153-Y206 HydrophobicContact CD1-CD1 3.39Å; L153-Y206 HydrophobicContact CD1-CE1 3.75Å; L153-Y206 HydrophobicContact CD1-CG 4.45Å; F173-Y206 PolarHBondContact O-OH 2.03Å; F202-Y206 HydrophobicContact CB-CD2 4.42Å; F202-Y206 HydrophobicContact CB-CE2 3.92Å; F202-Y206 WeakPolarHBondContact O-CD2 3.29Å; F202-Y206 VanDerWaalsContact O-CG 3.28Å; F202-Y206 PolarHBondContact O-N 3.41Å; Q204-Y206 VanDerWaalsContact C-N 3.34Å; Q204-Y206 PolarHBondContact O-N 2.94Å; Y206-E208 VanDerWaalsContact C-N 3.28Å; Y206-E208 PolarHBondContact O-N 2.83Å; Y206-A209 WeakPolarHBondContact O-CA 3.43Å; Y206-A209 VanDerWaalsContact O-CB 3.25Å; Y206-A209 WeakPolarHBondContact O-CB 3.4Å; Y206-A209 PolarHBondContact O-N 2.84Å; Y206-W210 PolarHBondContact O-N 3.48Å; Y206-W210 VanDerWaalsContact O-N 3.17Å
207Y92.1Very high90Very high34 Ų3438 Ų3813%0.13320%0.202CC..Hα-helixtrans-54.7-44.9177.2176.6-103.7000112.1V83 R85 V88 N203 Q204 A209 W210 I211V83-Y207 PolarHBondContact O-OH 3.17Å; R85-Y207 HydrophobicContact CB-CE2 4.13Å; R85-Y207 HydrophobicContact CG-CD2 4.31Å; R85-Y207 HydrophobicContact CG-CE2 4.42Å; V88-Y207 HydrophobicContact CB-CD2 4.26Å; V88-Y207 HydrophobicContact CG1-CD2 4.32Å; V88-Y207 HydrophobicContact CG2-CD2 3.9Å; V88-Y207 HydrophobicContact CG2-CE2 3.85Å; N203-Y207 WeakPolarHBondContact O-CB 3.36Å; N203-Y207 PolarHBondContact O-N 3.46Å; Q204-Y207 WeakPolarHBondContact O-CB 3.41Å; Q204-Y207 PolarHBondContact O-N 3.19Å; Y207-A209 VanDerWaalsContact C-N 3.31Å; Y207-A209 PolarHBondContact O-N 3.3Å; Y207-W210 PolarHBondContact O-N 2.85Å; Y207-W210 VanDerWaalsContact O-N 3.13Å; Y207-I211 HydrophobicContact CD1-CD1 4.22Å; Y207-I211 HydrophobicContact CE1-CD1 3.73Å; Y207-I211 HydrophobicContact CE1-CG2 4.41Å; Y207-I211 HydrophobicContact CE2-CG2 4.07Å; Y207-I211 PolarHBondContact O-N 3.18Å
208E90Very high90.1Very high73 Ų7335.2 Ų35.234%0.34119%0.187SC..Hα-helixtrans-61.4-36.4175-72.2175-157.600112.9Q204 C205 Y206 W210 I211 S212Q204-E208 PolarHBondContact NE2-OE1 2.96Å; Q204-E208 WeakPolarHBondContact O-CG 3.45Å; Q204-E208 PolarHBondContact O-N 3.23Å; C205-E208 PolarHBondContact O-N 2.91Å; Y206-E208 VanDerWaalsContact C-N 3.28Å; Y206-E208 PolarHBondContact O-N 2.83Å; E208-W210 VanDerWaalsContact C-N 3.26Å; E208-W210 PolarHBondContact O-N 3.35Å; E208-I211 PolarHBondContact O-N 3.26Å; E208-S212 WeakPolarHBondContact O-CB 3.34Å; E208-S212 PolarHBondContact O-N 3.5Å; E208-S212 VanDerWaalsContact O-N 3.13Å; E208-S212 PolarHBondContact O-OG 3.43Å
209A90.6Very high90.1Very high2 Ų235.6 Ų35.62%0.01719%0.191CC..Hα-helixtrans-63.3-31.517500000113K149 K151 L153 C205 Y206 Y207 S212K149-A209 WeakPolarHBondContact CD-O 3.36Å; K151-A209 HydrophobicContact CD-CB 4.24Å; K151-A209 PolarHBondContact NZ-O 3.27Å; L153-A209 HydrophobicContact CD1-CB 4.25Å; L153-A209 HydrophobicContact CD2-CB 3.88Å; C205-A209 PolarHBondContact O-N 3.36Å; Y206-A209 WeakPolarHBondContact O-CA 3.43Å; Y206-A209 VanDerWaalsContact O-CB 3.25Å; Y206-A209 WeakPolarHBondContact O-CB 3.4Å; Y206-A209 PolarHBondContact O-N 2.84Å; Y207-A209 VanDerWaalsContact C-N 3.31Å; Y207-A209 PolarHBondContact O-N 3.3Å; A209-S212 PolarHBondContact O-OG 2.99Å
210W89.3Confident90Very high37 Ų3737.9 Ų37.914%0.1420%0.204CC..Hα-helixtrans-79-33.5179.3-78.195.2000113.9V88 Q91 F92 C146 A147 K149 Y206 Y207 E208V88-W210 HydrophobicContact CB-CB 4.4Å; V88-W210 HydrophobicContact CG1-CB 3.67Å; V88-W210 HydrophobicContact CG1-CD2 4.04Å; V88-W210 HydrophobicContact CG1-CG 3.46Å; V88-W210 VanDerWaalsContact CG1-CG 3.46Å; V88-W210 HydrophobicContact CG2-CB 3.87Å; V88-W210 HydrophobicContact CG2-CG 4.49Å; Q91-W210 HydrophobicContact CB-CE3 4.01Å; Q91-W210 HydrophobicContact CB-CH2 3.83Å; Q91-W210 HydrophobicContact CB-CZ3 3.43Å; Q91-W210 VanDerWaalsContact CB-CZ3 3.43Å; Q91-W210 HydrophobicContact CG-CZ3 4.36Å; Q91-W210 VanDerWaalsContact OE1-CZ3 3.24Å; F92-W210 HydrophobicContact CB-CZ2 4.19Å; C146-W210 VanDerWaalsContact O-CZ2 3.31Å; C146-W210 WeakPolarHBondContact O-CZ2 3.41Å; A147-W210 PolarHBondContact O-NE1 3.29Å; K149-W210 HydrophobicContact CD-CB 4.5Å; K149-W210 HydrophobicContact CD-CD2 3.64Å; K149-W210 HydrophobicContact CD-CE3 3.77Å; K149-W210 HydrophobicContact CD-CG 3.99Å; K149-W210 HydrophobicContact CD-CH2 4.5Å; K149-W210 HydrophobicContact CD-CZ2 4.4Å; K149-W210 HydrophobicContact CD-CZ3 4.19Å; K149-W210 HydrophobicContact CG-CD2 3.96Å; K149-W210 HydrophobicContact CG-CE3 4.29Å; K149-W210 HydrophobicContact CG-CG 4.47Å; K149-W210 HydrophobicContact CG-CH2 4.2Å; K149-W210 HydrophobicContact CG-CZ2 3.87Å; K149-W210 HydrophobicContact CG-CZ3 4.39Å; Y206-W210 PolarHBondContact O-N 3.48Å; Y206-W210 VanDerWaalsContact O-N 3.17Å; Y207-W210 PolarHBondContact O-N 2.85Å; Y207-W210 VanDerWaalsContact O-N 3.13Å; E208-W210 VanDerWaalsContact C-N 3.26Å; E208-W210 PolarHBondContact O-N 3.35Å
211I85.7Confident90Very high66 Ų6637.5 Ų37.534%0.33820%0.197SC..Hα-helixtrans-92.1-6.5-178.767.4173.7000113.6V83 V88 Y207 E208V83-I211 HydrophobicContact CB-CG2 4.11Å; V88-I211 HydrophobicContact CG2-CG2 4.36Å; Y207-I211 HydrophobicContact CD1-CD1 4.22Å; Y207-I211 HydrophobicContact CE1-CD1 3.73Å; Y207-I211 HydrophobicContact CE1-CG2 4.41Å; Y207-I211 HydrophobicContact CE2-CG2 4.07Å; Y207-I211 PolarHBondContact O-N 3.18Å; E208-I211 PolarHBondContact O-N 3.26Å
212S81.2Confident90Very high108 Ų10836.9 Ų36.976%0.75519%0.194SC*.  trans-920171.9510000112.5K151 E208 A209K151-S212 PolarHBondContact NZ-OG 3.27Å; K151-S212 PolarHBondContact NZ-OXT 3.26Å; E208-S212 WeakPolarHBondContact O-CB 3.34Å; E208-S212 PolarHBondContact O-N 3.5Å; E208-S212 VanDerWaalsContact O-N 3.13Å; E208-S212 PolarHBondContact O-OG 3.43Å; A209-S212 PolarHBondContact O-OG 2.99Å

Retrieved 212 of 212 residues in 1543 ms (Link to these results)