A0A087X5A7_POEFO Loading...

Leukotriene B4 receptor 2a

AlphaFold DB , UniProt , Accession A0A087X5A7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 368 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M35.4Very low31.5Very low253 Ų253139.7 Ų139.7100%1.24684%0.842SS**  0132.70-91.1167.4171.200108
2A25.7Very low31.8Very low94 Ų94138.3 Ų138.378%0.77784%0.839SS**  trans-55-178.1-174.500000115.2
3P39.9Very low32.1Very low108 Ų108138.8 Ų138.870%0.70183%0.833SS**  cis-136.1179-48.534.1-16.3000113
4S31.8Very low32.6Very low104 Ų104140.1 Ų140.173%0.72783%0.834SS**  trans-39.9135.2163.349.20000116.5
5L31.7Very low33.1Very low174 Ų174137.1 Ų137.191%0.91182%0.822SS**  trans-103.3109.3159.3-108.389.7000110.8
6S29.8Very low33.8Very low101 Ų101133.9 Ų133.971%0.70681%0.809SS**  trans-61151.2165.4-54.80000111.6
7G32.9Very low34.7Very low80 Ų80130 Ų13083%0.82579%0.788SS**  trans-62.3153.3-17700000115.1
8T27.9Very low35.2Very low138 Ų138130.7 Ų130.785%0.84778%0.783SS**  trans-124.299.4166.7-35.90000107.9
9Q29.9Very low36.2Very low187 Ų187126.8 Ų126.887%0.87476%0.758SS**PPolyproline II helixtrans-59.1132.4162-81.8167.4-42.200109
10M29.2Very low36.9Very low182 Ų182126.4 Ų126.490%0.89775%0.751SS**PPolyproline II helixtrans-63.1131.6166.3-71-179.2-121.400109.4
11P32.1Very low37.3Very low116 Ų116125.7 Ų125.775%0.75374%0.744SS**PPolyproline II helixtrans-73.9147173.929.5-31.7000110.8
12P34.9Very low37.9Very low123 Ų123115.5 Ų115.580%0.79970%0.697SS**PPolyproline II helixtrans-72.7135.3178.429.7-31.6000110.9N14P12-N14 PolarHBondContact O-N 3.5Å; P12-N14 VanDerWaalsContact O-N 3.15Å
13N36.8Very low38.8Very low144 Ų144113.5 Ų113.577%0.7767%0.673SS**  trans-65103178.7-161.516.3000110.4
14N39.1Very low39.1Very low158 Ų158111.4 Ų111.485%0.84566%0.658SS**  trans-129.658.6173.4-129.624.4000110.2P12 S16P12-N14 PolarHBondContact O-N 3.5Å; P12-N14 VanDerWaalsContact O-N 3.15Å; N14-S16 PolarHBondContact O-N 3.29Å
15S38.8Very low39.9Very low94 Ų94109.4 Ų109.466%0.65764%0.644SS**  trans-85.981168.6-48.70000109.2C17S15-C17 PolarHBondContact O-N 3.06Å
16S45.3Very low41.2Very low86 Ų86104.3 Ų104.360%0.60162%0.62SS**  trans-51.3113.8162.445.60000109N14 M18N14-S16 PolarHBondContact O-N 3.29Å; S16-M18 PolarHBondContact O-N 2.69Å
17C49.4Very low42.9Very low68 Ų68103.9 Ų103.946%0.45962%0.615SS.*  trans-63.785.2174-77.60000109.9S15 I19 C266 L271S15-C17 PolarHBondContact O-N 3.06Å; C17-I19 PolarHBondContact O-N 3.41Å; C17-C266 VanDerWaalsContact SG-SG 3.65Å; C17-L271 HydrophobicContact CB-CD2 4.03Å
18M43.5Very low44.7Very low142 Ų142103.2 Ų103.270%0.760%0.602SS**  trans-72.1114.4179.7-72.7-89.4-144.800109.9S16S16-M18 PolarHBondContact O-N 2.69Å
19I53.8Low46.9Very low58 Ų5898.3 Ų98.330%0.29758%0.575SS.*  trans-99.2108.2165-57.3-179.6000107.4C17 L271 E274C17-I19 PolarHBondContact O-N 3.41Å; I19-L271 HydrophobicContact CD1-CB 4.45Å; I19-L271 HydrophobicContact CD1-CD2 3.9Å; I19-L271 HydrophobicContact CG1-CD2 4.25Å; I19-E274 HydrophobicContact CD1-CB 4.06Å
20N50.8Low49.2Very low118 Ų11890.1 Ų90.163%0.63154%0.538SS*.  trans-86.5137.3166.1-91.3-11.6000111.1
21D45.6Very low51.9Low112 Ų11285.5 Ų85.560%0.59952%0.52SS*.  trans84.486.1167.1-56.3-37000119.6
22S47Very low54.5Low38 Ų3883.6 Ų83.627%0.26651%0.506SS..  trans-88.8135.7151.759.20000111.1V24 S25 R176S22-V24 PolarHBondContact O-N 3.2Å; S22-S25 PolarHBondContact O-N 3.3Å; S22-S25 PolarHBondContact O-OG 2.65Å; S22-R176 PolarHBondContact O-NH1 3Å; S22-R176 PolarHBondContact O-NH2 3.19Å; S22-R176 PolarHBondContact OG-NH1 3.21Å
23I44.8Very low56.9Low53 Ų5378 Ų7827%0.27247%0.472SS..G310 helixtrans-53.9-0.8-172-81.4-174.4000117.4S25 T26 A29 K279I23-S25 PolarHBondContact O-N 3.13Å; I23-T26 PolarHBondContact O-N 3.4Å; I23-T26 VanDerWaalsContact O-N 3.14Å; I23-T26 PolarHBondContact O-OG1 3.23Å; I23-A29 HydrophobicContact CG2-CB 3.51Å; I23-K279 HydrophobicContact CD1-CD 4.07Å; I23-K279 VanDerWaalsContact CD1-CE 3.41Å; I23-K279 HydrophobicContact CD1-CG 3.45Å; I23-K279 VanDerWaalsContact CD1-CG 3.45Å; I23-K279 HydrophobicContact CG1-CG 3.93Å
24V45.9Very low59.4Low64 Ų6472.5 Ų72.539%0.38844%0.443SS..G310 helixtrans-59.8-7.4164.7-169.60000111.2S22 M93S22-V24 PolarHBondContact O-N 3.2Å; V24-M93 WeakPolarHBondContact O-CE 3.48Å
25S49Very low61.9Low62 Ų6270.5 Ų70.543%0.43443%0.432SS..G310 helixtrans-92.2-4.6175.242.40000117.1S22 I23 P27S22-S25 PolarHBondContact O-N 3.3Å; S22-S25 PolarHBondContact O-OG 2.65Å; I23-S25 PolarHBondContact O-N 3.13Å; S25-P27 WeakPolarHBondContact O-CD 3.41Å
26T58.9Low64.4Low66 Ų6668.9 Ų68.941%0.40542%0.415SS..  trans-98.7116.6172.628.70000111.2I23 A28 A29I23-T26 PolarHBondContact O-N 3.4Å; I23-T26 VanDerWaalsContact O-N 3.14Å; I23-T26 PolarHBondContact O-OG1 3.23Å; T26-A28 PolarHBondContact O-N 3.02Å; T26-A29 PolarHBondContact O-N 3.3Å
27P64.8Low66.6Low92 Ų9265.1 Ų65.160%0.59739%0.388SS*.Hα-helixtrans-50.9-33.8176-26.633.3000113S25 A29 T30 V31S25-P27 WeakPolarHBondContact O-CD 3.41Å; P27-A29 PolarHBondContact O-N 3.26Å; P27-T30 PolarHBondContact O-N 3.08Å; P27-T30 PolarHBondContact O-OG1 3.43Å; P27-V31 WeakPolarHBondContact O-CB 3.49Å; P27-V31 WeakPolarHBondContact O-CG2 3.39Å; P27-V31 PolarHBondContact O-N 2.98Å
28A71.7Confident68.7Low66 Ų6663.7 Ų63.755%0.54538%0.379SS..Hα-helixtrans-60.4-44.3176.900000112.9T26 T30 V31 T32T26-A28 PolarHBondContact O-N 3.02Å; A28-T30 PolarHBondContact O-N 3.44Å; A28-V31 PolarHBondContact O-N 3.12Å; A28-T32 WeakPolarHBondContact O-CB 3.47Å; A28-T32 PolarHBondContact O-N 3.08Å; A28-T32 PolarHBondContact O-OG1 3.48Å
29A74.7Confident71Confident35 Ų3559.1 Ų59.129%0.28936%0.364SS..Hα-helixtrans-68-37.4-177.100000112.2I23 T26 P27 G33I23-A29 HydrophobicContact CG2-CB 3.51Å; T26-A29 PolarHBondContact O-N 3.3Å; P27-A29 PolarHBondContact O-N 3.26Å; A29-G33 PolarHBondContact O-N 3.41Å
30T78.1Confident72.9Confident16 Ų1656.6 Ų56.610%0.09835%0.351CS..Hα-helixtrans-74.2-38.4175.8490000112.4P27 A28 G33 T34 L90 M93P27-T30 PolarHBondContact O-N 3.08Å; P27-T30 PolarHBondContact O-OG1 3.43Å; A28-T30 PolarHBondContact O-N 3.44Å; T30-G33 PolarHBondContact O-N 3.3Å; T30-T34 WeakPolarHBondContact O-CB 3.46Å; T30-T34 PolarHBondContact O-N 2.96Å; T30-T34 PolarHBondContact O-OG1 3.4Å; T30-L90 HydrophobicContact CG2-CD2 4.44Å; T30-M93 HydrophobicContact CG2-CE 3.27Å; T30-M93 WeakPolarHBondContact OG1-CE 3.44Å
31V84.7Confident75Confident84 Ų8453.8 Ų53.851%0.50933%0.333SS..Hα-helixtrans-62-49.7173.1169.70000110.2P27 A28 G33 T34 L35P27-V31 WeakPolarHBondContact O-CB 3.49Å; P27-V31 WeakPolarHBondContact O-CG2 3.39Å; P27-V31 PolarHBondContact O-N 2.98Å; A28-V31 PolarHBondContact O-N 3.12Å; V31-G33 PolarHBondContact O-N 3.09Å; V31-T34 PolarHBondContact O-N 3.02Å; V31-L35 HydrophobicContact CG1-CD1 4.09Å; V31-L35 WeakPolarHBondContact O-CG 3.4Å; V31-L35 PolarHBondContact O-N 3.06Å
32T86.3Confident77.3Confident76 Ų7654.1 Ų54.147%0.46634%0.335SS..Hα-helixtrans-60.2-44.7176.8-58.40000111.6A28 T34 L35 I36A28-T32 WeakPolarHBondContact O-CB 3.47Å; A28-T32 PolarHBondContact O-N 3.08Å; A28-T32 PolarHBondContact O-OG1 3.48Å; T32-T34 PolarHBondContact O-N 3.13Å; T32-L35 PolarHBondContact O-N 3.48Å; T32-I36 HydrophobicContact CG2-CD1 3.78Å; T32-I36 HydrophobicContact CG2-CG1 4.43Å; T32-I36 VanDerWaalsContact O-CG1 3.28Å; T32-I36 WeakPolarHBondContact O-CG1 3.5Å; T32-I36 PolarHBondContact O-N 3.38Å
33G86.5Confident79.5Confident7 Ų757.4 Ų57.47%0.07235%0.348CS..Hα-helixtrans-60.3-44.7176.900000113.2A29 T30 V31 I36 L37A29-G33 PolarHBondContact O-N 3.41Å; T30-G33 PolarHBondContact O-N 3.3Å; V31-G33 PolarHBondContact O-N 3.09Å; G33-I36 PolarHBondContact O-N 2.98Å; G33-L37 PolarHBondContact O-N 3.31Å
34T88.5Confident81.8Confident28 Ų2854.9 Ų54.917%0.17234%0.335CS..Hα-helixtrans-61.9-44.2176.3-63.30000111.7T30 V31 T32 S38 I87 L90T30-T34 WeakPolarHBondContact O-CB 3.46Å; T30-T34 PolarHBondContact O-N 2.96Å; T30-T34 PolarHBondContact O-OG1 3.4Å; V31-T34 PolarHBondContact O-N 3.02Å; T32-T34 PolarHBondContact O-N 3.13Å; T34-S38 VanDerWaalsContact O-CB 3.28Å; T34-S38 WeakPolarHBondContact O-CB 3.36Å; T34-S38 PolarHBondContact O-N 3.15Å; T34-S38 PolarHBondContact O-OG 3.3Å; T34-I87 HydrophobicContact CG2-CG2 4.21Å; T34-L90 VanDerWaalsContact OG1-CB 3.28Å; T34-L90 WeakPolarHBondContact OG1-CB 3.38Å
35L91.2Very high84.1Confident116 Ų11655.7 Ų55.761%0.60733%0.334SS*.Hα-helixtrans-62.8-45.2177.2-71.6173.7000111.7V31 T32 S38 A39V31-L35 HydrophobicContact CG1-CD1 4.09Å; V31-L35 WeakPolarHBondContact O-CG 3.4Å; V31-L35 PolarHBondContact O-N 3.06Å; T32-L35 PolarHBondContact O-N 3.48Å; L35-S38 PolarHBondContact O-N 3.31Å; L35-A39 PolarHBondContact O-N 3.16Å
36I91.7Very high86.3Confident60 Ų6056 Ų5631%0.30833%0.334SS..Hα-helixtrans-63.3-50178.3-65.9166.9000110.5T32 G33 S38 A39 V40 T286 I290T32-I36 HydrophobicContact CG2-CD1 3.78Å; T32-I36 HydrophobicContact CG2-CG1 4.43Å; T32-I36 VanDerWaalsContact O-CG1 3.28Å; T32-I36 WeakPolarHBondContact O-CG1 3.5Å; T32-I36 PolarHBondContact O-N 3.38Å; G33-I36 PolarHBondContact O-N 2.98Å; I36-S38 VanDerWaalsContact C-N 3.28Å; I36-S38 PolarHBondContact O-N 2.87Å; I36-A39 PolarHBondContact O-N 3.02Å; I36-V40 HydrophobicContact CG2-CG2 4.2Å; I36-V40 WeakPolarHBondContact O-CB 3.48Å; I36-V40 VanDerWaalsContact O-CG2 3.26Å; I36-V40 WeakPolarHBondContact O-CG2 3.41Å; I36-V40 PolarHBondContact O-N 3.31Å; I36-T286 HydrophobicContact CB-CG2 3.85Å; I36-T286 HydrophobicContact CD1-CG2 4.33Å; I36-T286 HydrophobicContact CG2-CG2 3.52Å; I36-I290 HydrophobicContact CG2-CD1 4.03Å; I36-I290 HydrophobicContact CG2-CG1 4.16Å
37L91.8Very high87.9Confident6 Ų653.5 Ų53.53%0.03132%0.322CS..Hα-helixtrans-63.6-34.5179.8-72.7-173.3000112.4G33 V40 F41 T83 F86 I87 L90 T286 F289G33-L37 PolarHBondContact O-N 3.31Å; L37-V40 PolarHBondContact O-N 3.32Å; L37-F41 WeakPolarHBondContact O-CB 3.35Å; L37-F41 PolarHBondContact O-N 2.91Å; L37-T83 HydrophobicContact CB-CG2 4.1Å; L37-T83 HydrophobicContact CD2-CG2 4.3Å; L37-F86 HydrophobicContact CD1-CB 3.9Å; L37-I87 HydrophobicContact CB-CD1 4.32Å; L37-I87 HydrophobicContact CB-CG1 3.76Å; L37-L90 HydrophobicContact CD1-CD1 3.54Å; L37-L90 HydrophobicContact CG-CD1 4.4Å; L37-T286 HydrophobicContact CD2-CG2 4.12Å; L37-T286 HydrophobicContact CG-CG2 4.22Å; L37-F289 HydrophobicContact CD2-CB 3.84Å; L37-F289 HydrophobicContact CD2-CD1 3.93Å; L37-F289 HydrophobicContact CD2-CG 3.95Å
38S93.3Very high89.3Confident38 Ų3849.1 Ų49.127%0.26629%0.294SS..Hα-helixtrans-64.4-44.8174.6-58.90000111.5T34 L35 I36 F41 L42T34-S38 VanDerWaalsContact O-CB 3.28Å; T34-S38 WeakPolarHBondContact O-CB 3.36Å; T34-S38 PolarHBondContact O-N 3.15Å; T34-S38 PolarHBondContact O-OG 3.3Å; L35-S38 PolarHBondContact O-N 3.31Å; I36-S38 VanDerWaalsContact C-N 3.28Å; I36-S38 PolarHBondContact O-N 2.87Å; S38-F41 PolarHBondContact O-N 3.12Å; S38-L42 WeakPolarHBondContact O-CB 3.2Å; S38-L42 VanDerWaalsContact O-CG 3.29Å; S38-L42 WeakPolarHBondContact O-CG 3.28Å; S38-L42 PolarHBondContact O-N 2.96Å
39A93.1Very high90.3Very high47 Ų4750.5 Ų50.539%0.38829%0.291SS..Hα-helixtrans-63.9-42.4174.800000112.1L35 I36 F41 L42 L43L35-A39 PolarHBondContact O-N 3.16Å; I36-A39 PolarHBondContact O-N 3.02Å; A39-F41 VanDerWaalsContact C-N 3.34Å; A39-F41 PolarHBondContact O-N 2.75Å; A39-L42 PolarHBondContact O-N 3.48Å; A39-L43 WeakPolarHBondContact O-CB 3.35Å; A39-L43 WeakPolarHBondContact O-CG 3.39Å; A39-L43 PolarHBondContact O-N 2.98Å
40V93.7Very high91.1Very high5 Ų551.7 Ų51.73%0.0329%0.29CS..Hα-helixtrans-60.4-43.2175.6168.70000111I36 L37 G44 M80 I290 C293I36-V40 HydrophobicContact CG2-CG2 4.2Å; I36-V40 WeakPolarHBondContact O-CB 3.48Å; I36-V40 VanDerWaalsContact O-CG2 3.26Å; I36-V40 WeakPolarHBondContact O-CG2 3.41Å; I36-V40 PolarHBondContact O-N 3.31Å; L37-V40 PolarHBondContact O-N 3.32Å; V40-G44 VanDerWaalsContact O-CA 3.29Å; V40-G44 WeakPolarHBondContact O-CA 3.45Å; V40-G44 PolarHBondContact O-N 2.88Å; V40-M80 HydrophobicContact CG1-CE 3.88Å; V40-M80 HydrophobicContact CG1-SD 3.64Å; V40-I290 HydrophobicContact CG2-CB 4.33Å; V40-I290 HydrophobicContact CG2-CG1 3.72Å; V40-C293 HydrophobicContact CG1-CB 4.16Å
41F94.3Very high91.7Very high58 Ų5851 Ų5125%0.25429%0.286SS..Hα-helixtrans-62.7-49.7175.6173.1-105.4000111.8L37 S38 A39 L43 G44 F45 M80 T83 P84 I87L37-F41 WeakPolarHBondContact O-CB 3.35Å; L37-F41 PolarHBondContact O-N 2.91Å; S38-F41 PolarHBondContact O-N 3.12Å; A39-F41 VanDerWaalsContact C-N 3.34Å; A39-F41 PolarHBondContact O-N 2.75Å; F41-L43 VanDerWaalsContact C-N 3.27Å; F41-L43 PolarHBondContact O-N 2.99Å; F41-G44 PolarHBondContact O-N 2.82Å; F41-F45 HydrophobicContact CD2-CB 4.05Å; F41-F45 HydrophobicContact CE2-CB 3.88Å; F41-F45 HydrophobicContact CE2-CD2 4.29Å; F41-F45 AromaticContact CE2-CG 3.98Å; F41-F45 HydrophobicContact CE2-CG 3.98Å; F41-F45 HydrophobicContact CZ-CB 4.47Å; F41-F45 HydrophobicContact CZ-CG 4.46Å; F41-F45 VanDerWaalsContact O-CB 3.28Å; F41-F45 WeakPolarHBondContact O-CB 3.37Å; F41-F45 PolarHBondContact O-N 3.46Å; F41-M80 WeakPolarHBondContact CD2-O 3.48Å; F41-T83 HydrophobicContact CB-CG2 4.12Å; F41-P84 HydrophobicContact CD2-CG 3.9Å; F41-P84 HydrophobicContact CE2-CG 3.6Å; F41-P84 HydrophobicContact CZ-CG 4Å; F41-I87 HydrophobicContact CB-CD1 4.32Å
42L94.1Very high92.1Very high120 Ų12048.6 Ų48.663%0.62827%0.27SS*.Hα-helixtrans-62.9-31.4-178.3-72.8174.3000113.3S38 A39 P46S38-L42 WeakPolarHBondContact O-CB 3.2Å; S38-L42 VanDerWaalsContact O-CG 3.29Å; S38-L42 WeakPolarHBondContact O-CG 3.28Å; S38-L42 PolarHBondContact O-N 2.96Å; A39-L42 PolarHBondContact O-N 3.48Å; L42-P46 VanDerWaalsContact O-CD 3.26Å; L42-P46 WeakPolarHBondContact O-CD 3.43Å; L42-P46 WeakPolarHBondContact O-CG 3.33Å
43L92.3Very high92.3Very high106 Ų10650.7 Ų50.756%0.55527%0.269SS*.Hα-helixtrans-88-44.8176.3-66.5172.8000112A39 F41 G47 C293A39-L43 WeakPolarHBondContact O-CB 3.35Å; A39-L43 WeakPolarHBondContact O-CG 3.39Å; A39-L43 PolarHBondContact O-N 2.98Å; F41-L43 VanDerWaalsContact C-N 3.27Å; F41-L43 PolarHBondContact O-N 2.99Å; L43-G47 PolarHBondContact O-N 3.27Å; L43-C293 HydrophobicContact CB-CB 4.38Å
44G93.1Very high92.2Very high0 Ų050.3 Ų50.30%027%0.266CS..Hα-helixtrans-75.6-43.3-17000000113.5V40 F41 N48 C293V40-G44 VanDerWaalsContact O-CA 3.29Å; V40-G44 WeakPolarHBondContact O-CA 3.45Å; V40-G44 PolarHBondContact O-N 2.88Å; F41-G44 PolarHBondContact O-N 2.82Å; G44-N48 WeakPolarHBondContact O-CB 3.25Å; G44-N48 PolarHBondContact O-N 3.43Å; G44-N48 PolarHBondContact O-ND2 2.99Å; G44-C293 VanDerWaalsContact CA-CB 3.46Å
45F94.5Very high92Very high81 Ų8149.1 Ų49.136%0.35526%0.258SS..Hα-helixtrans-63.8-57.4-178.1-173.5-102.2000112.4F41 G47 N48 L49 M80 A81F41-F45 HydrophobicContact CD2-CB 4.05Å; F41-F45 HydrophobicContact CE2-CB 3.88Å; F41-F45 HydrophobicContact CE2-CD2 4.29Å; F41-F45 AromaticContact CE2-CG 3.98Å; F41-F45 HydrophobicContact CE2-CG 3.98Å; F41-F45 HydrophobicContact CZ-CB 4.47Å; F41-F45 HydrophobicContact CZ-CG 4.46Å; F41-F45 VanDerWaalsContact O-CB 3.28Å; F41-F45 WeakPolarHBondContact O-CB 3.37Å; F41-F45 PolarHBondContact O-N 3.46Å; F45-G47 VanDerWaalsContact C-N 3.3Å; F45-G47 PolarHBondContact O-N 2.89Å; F45-N48 PolarHBondContact O-N 2.96Å; F45-L49 WeakPolarHBondContact O-CB 3.31Å; F45-L49 PolarHBondContact O-N 3.24Å; F45-M80 HydrophobicContact CB-CB 4.1Å; F45-M80 HydrophobicContact CD2-CB 4.22Å; F45-A81 HydrophobicContact CD2-CB 4.46Å; F45-A81 HydrophobicContact CE2-CB 4.05Å
46P94.6Very high91.8Very high68 Ų6848.7 Ų48.744%0.44226%0.256SS..Hα-helixtrans-66.2-33.3177.426.8-34.2000112.2L42 F50L42-P46 VanDerWaalsContact O-CD 3.26Å; L42-P46 WeakPolarHBondContact O-CD 3.43Å; L42-P46 WeakPolarHBondContact O-CG 3.33Å; P46-F50 VanDerWaalsContact O-CB 3.23Å; P46-F50 WeakPolarHBondContact O-CB 3.33Å; P46-F50 PolarHBondContact O-N 3.1Å
47G92.6Very high91.3Very high15 Ų1548.9 Ų48.916%0.15527%0.267CS..Hα-helixtrans-62.3-49.6177.700000112.9L43 F45 F50 V51L43-G47 PolarHBondContact O-N 3.27Å; F45-G47 VanDerWaalsContact C-N 3.3Å; F45-G47 PolarHBondContact O-N 2.89Å; G47-F50 PolarHBondContact O-N 3.04Å; G47-V51 WeakPolarHBondContact O-CG2 3.28Å; G47-V51 PolarHBondContact O-N 3.39Å; G47-V51 VanDerWaalsContact O-N 3.09Å
48N94.4Very high90.3Very high0 Ų053.4 Ų53.40%028%0.283CS..Hα-helixtrans-69.5-38.2178-75.1-63.3000111.7G44 F45 F50 V51 I52 S292G44-N48 WeakPolarHBondContact O-CB 3.25Å; G44-N48 PolarHBondContact O-N 3.43Å; G44-N48 PolarHBondContact O-ND2 2.99Å; F45-N48 PolarHBondContact O-N 2.96Å; N48-F50 VanDerWaalsContact C-N 3.32Å; N48-F50 PolarHBondContact O-N 3.42Å; N48-V51 PolarHBondContact O-N 2.86Å; N48-I52 WeakPolarHBondContact O-CG1 3.33Å; N48-I52 PolarHBondContact O-N 3.49Å; N48-S292 PolarHBondContact ND2-O 3.09Å
49L94Very high89.2Confident94 Ų9452.5 Ų52.549%0.49228%0.278SS..Hα-helixtrans-61.3-41.4173.9-174.961.3000111.9F45 V51 I52 W53F45-L49 WeakPolarHBondContact O-CB 3.31Å; F45-L49 PolarHBondContact O-N 3.24Å; L49-V51 VanDerWaalsContact C-N 3.35Å; L49-V51 PolarHBondContact O-N 3.17Å; L49-I52 PolarHBondContact O-N 3.4Å; L49-W53 WeakPolarHBondContact O-CB 3.47Å; L49-W53 PolarHBondContact O-N 3.47Å
50F91.3Very high87.7Confident61 Ų6160.4 Ų60.427%0.26830%0.298SS..Hα-helixtrans-61.9-41.2174.6176.1-102.4000112.1P46 G47 N48 W53 S54 L312 F314 M315P46-F50 VanDerWaalsContact O-CB 3.23Å; P46-F50 WeakPolarHBondContact O-CB 3.33Å; P46-F50 PolarHBondContact O-N 3.1Å; G47-F50 PolarHBondContact O-N 3.04Å; N48-F50 VanDerWaalsContact C-N 3.32Å; N48-F50 PolarHBondContact O-N 3.42Å; F50-W53 HydrophobicContact CD2-CE3 4.11Å; F50-W53 HydrophobicContact CD2-CZ3 4.38Å; F50-W53 HydrophobicContact CE2-CE3 4.13Å; F50-W53 HydrophobicContact CE2-CZ3 4Å; F50-S54 WeakPolarHBondContact O-CB 3.43Å; F50-S54 PolarHBondContact O-N 2.91Å; F50-L312 HydrophobicContact CE2-CB 4.5Å; F50-L312 HydrophobicContact CE2-CD2 3.95Å; F50-L312 HydrophobicContact CZ-CD2 4.11Å; F50-F314 HydrophobicContact CE1-CE1 4.03Å; F50-F314 HydrophobicContact CZ-CE1 4.29Å; F50-M315 HydrophobicContact CE1-CE 4.39Å; F50-M315 HydrophobicContact CE1-CG 4.1Å
51V90.5Very high86.3Confident0 Ų067.2 Ų67.20%033%0.327CS..Hα-helixtrans-62.2-47.5175.7172.70000110.7G47 N48 L49 S54 I55 I69 A73 P296 Y299 M315G47-V51 WeakPolarHBondContact O-CG2 3.28Å; G47-V51 PolarHBondContact O-N 3.39Å; G47-V51 VanDerWaalsContact O-N 3.09Å; N48-V51 PolarHBondContact O-N 2.86Å; L49-V51 VanDerWaalsContact C-N 3.35Å; L49-V51 PolarHBondContact O-N 3.17Å; V51-S54 PolarHBondContact O-N 3.3Å; V51-I55 HydrophobicContact CG1-CD1 3.82Å; V51-I55 WeakPolarHBondContact O-CB 3.36Å; V51-I55 VanDerWaalsContact O-CG1 3.3Å; V51-I55 WeakPolarHBondContact O-CG1 3.3Å; V51-I55 PolarHBondContact O-N 3.28Å; V51-I69 HydrophobicContact CG1-CG2 4.11Å; V51-A73 HydrophobicContact CB-CB 4.08Å; V51-A73 HydrophobicContact CG1-CB 3.67Å; V51-P296 HydrophobicContact CG2-CB 4.49Å; V51-Y299 HydrophobicContact CG2-CD2 3.92Å; V51-Y299 HydrophobicContact CG2-CE2 4.39Å; V51-M315 HydrophobicContact CG2-CE 4.38Å
52I91.9Very high85.1Confident35 Ų3569.2 Ų69.218%0.17934%0.337CS..Hα-helixtrans-58.3-53.3177.1-66.6166.2000110.1N48 L49 S54 I55 L56 L70 A73 I74N48-I52 WeakPolarHBondContact O-CG1 3.33Å; N48-I52 PolarHBondContact O-N 3.49Å; L49-I52 PolarHBondContact O-N 3.4Å; I52-S54 PolarHBondContact O-N 3.01Å; I52-I55 PolarHBondContact O-N 3.14Å; I52-L56 HydrophobicContact CG2-CD1 3.71Å; I52-L56 HydrophobicContact CG2-CG 4.37Å; I52-L56 WeakPolarHBondContact O-CB 3.39Å; I52-L56 WeakPolarHBondContact O-CG 3.46Å; I52-L56 PolarHBondContact O-N 3.22Å; I52-L70 HydrophobicContact CB-CD1 4.27Å; I52-L70 HydrophobicContact CG1-CD1 4.18Å; I52-L70 HydrophobicContact CG2-CD1 4.09Å; I52-A73 HydrophobicContact CD1-CB 4.47Å; I52-A73 HydrophobicContact CG1-CB 3.81Å; I52-I74 HydrophobicContact CD1-CG1 4.03Å; I52-I74 HydrophobicContact CG1-CG1 4.23Å
53W90.7Very high84.4Confident119 Ų11964.6 Ų64.645%0.45132%0.315SS..Hα-helixtrans-60.6-46.6-179.4175.278.4000112.4L49 F50 I55 L56 A57 L312L49-W53 WeakPolarHBondContact O-CB 3.47Å; L49-W53 PolarHBondContact O-N 3.47Å; F50-W53 HydrophobicContact CD2-CE3 4.11Å; F50-W53 HydrophobicContact CD2-CZ3 4.38Å; F50-W53 HydrophobicContact CE2-CE3 4.13Å; F50-W53 HydrophobicContact CE2-CZ3 4Å; W53-I55 VanDerWaalsContact C-N 3.31Å; W53-I55 PolarHBondContact O-N 3.14Å; W53-L56 PolarHBondContact O-N 3.36Å; W53-A57 WeakPolarHBondContact O-CB 3.45Å; W53-A57 PolarHBondContact O-N 2.89Å; W53-L312 HydrophobicContact CH2-CD1 4.16Å; W53-L312 HydrophobicContact CZ3-CB 4.34Å; W53-L312 HydrophobicContact CZ3-CD1 4.25Å
54S85.3Confident83.9Confident0 Ų060.5 Ų60.50%029%0.294CS..Hα-helixtrans-61.9-39.8-179.3-172.70000111.6F50 V51 I52 R58 L312F50-S54 WeakPolarHBondContact O-CB 3.43Å; F50-S54 PolarHBondContact O-N 2.91Å; V51-S54 PolarHBondContact O-N 3.3Å; I52-S54 PolarHBondContact O-N 3.01Å; S54-R58 WeakPolarHBondContact O-CB 3.19Å; S54-R58 PolarHBondContact O-N 3.38Å; S54-R58 VanDerWaalsContact O-N 3.14Å; S54-L312 PolarHBondContact OG-O 3.07Å
55I84.7Confident83.4Confident2 Ų260.8 Ų60.81%0.0130%0.296CS..Hα-helixtrans-68.7-49.5176.4-69.7171.7000111V51 I52 W53 A59 T66 I69 L70V51-I55 HydrophobicContact CG1-CD1 3.82Å; V51-I55 WeakPolarHBondContact O-CB 3.36Å; V51-I55 VanDerWaalsContact O-CG1 3.3Å; V51-I55 WeakPolarHBondContact O-CG1 3.3Å; V51-I55 PolarHBondContact O-N 3.28Å; I52-I55 PolarHBondContact O-N 3.14Å; W53-I55 VanDerWaalsContact C-N 3.31Å; W53-I55 PolarHBondContact O-N 3.14Å; I55-A59 HydrophobicContact CG2-CB 4.45Å; I55-A59 WeakPolarHBondContact O-CB 3.16Å; I55-A59 PolarHBondContact O-N 2.9Å; I55-A59 VanDerWaalsContact O-N 3.12Å; I55-T66 HydrophobicContact CB-CG2 4.29Å; I55-T66 HydrophobicContact CD1-CG2 4.25Å; I55-T66 HydrophobicContact CG1-CG2 4.05Å; I55-T66 HydrophobicContact CG2-CG2 3.38Å; I55-I69 HydrophobicContact CD1-CB 4.48Å; I55-I69 HydrophobicContact CD1-CG2 3.97Å; I55-L70 HydrophobicContact CB-CD1 4.38Å; I55-L70 HydrophobicContact CD1-CB 4.2Å; I55-L70 HydrophobicContact CG2-CB 4.22Å; I55-L70 HydrophobicContact CG2-CD1 4.24Å; I55-L70 HydrophobicContact CG2-CD2 4.24Å; I55-L70 HydrophobicContact CG2-CG 4.47Å
56L85.8Confident82.9Confident108 Ų10857 Ų5757%0.56528%0.279SS*.Hα-helixtrans-67.8-40.3-176.2-69.2178.1000112.8I52 W53 L70I52-L56 HydrophobicContact CG2-CD1 3.71Å; I52-L56 HydrophobicContact CG2-CG 4.37Å; I52-L56 WeakPolarHBondContact O-CB 3.39Å; I52-L56 WeakPolarHBondContact O-CG 3.46Å; I52-L56 PolarHBondContact O-N 3.22Å; W53-L56 PolarHBondContact O-N 3.36Å; L56-L70 HydrophobicContact CD2-CD1 4.48Å; L56-L70 HydrophobicContact CD2-CD2 3.9Å; L56-L70 HydrophobicContact CG-CD1 4.32Å
57A81.1Confident82.6Confident64 Ų6454.7 Ų54.753%0.52926%0.263SS..Hα-helixtrans-84-28.6-175.200000113.6W53W53-A57 WeakPolarHBondContact O-CB 3.45Å; W53-A57 PolarHBondContact O-N 2.89Å
58R72.1Confident82.5Confident100 Ų10054.2 Ų54.238%0.37726%0.257SS..Hα-helixtrans-125-9-167.2-55.7-174.8174.7-140.7-3115.2S54 R60 A313 A316S54-R58 WeakPolarHBondContact O-CB 3.19Å; S54-R58 PolarHBondContact O-N 3.38Å; S54-R58 VanDerWaalsContact O-N 3.14Å; R58-R60 PolarHBondContact O-N 3.16Å; R58-R60 VanDerWaalsContact O-N 3.14Å; R58-A313 HydrophobicContact CB-CB 4.4Å; R58-A316 HydrophobicContact CB-CB 4.27Å
59A69.9Low82.2Confident19 Ų1954.4 Ų54.416%0.15726%0.258CS..  trans-76.9102174.500000110.7I55 K61 T66 A316I55-A59 HydrophobicContact CG2-CB 4.45Å; I55-A59 WeakPolarHBondContact O-CB 3.16Å; I55-A59 PolarHBondContact O-N 2.9Å; I55-A59 VanDerWaalsContact O-N 3.12Å; A59-K61 PolarHBondContact O-N 3.37Å; A59-T66 HydrophobicContact CB-CG2 4.23Å; A59-A316 HydrophobicContact CB-CB 4.17Å
60R60.6Low82.1Confident213 Ų21350.6 Ų50.680%0.80424%0.238SC*.SBendtrans-61-31.6176-76.7-171.2-178.3170.11.8113R58R58-R60 PolarHBondContact O-N 3.16Å; R58-R60 VanDerWaalsContact O-N 3.14Å
61K64.8Low82.3Confident149 Ų14948.7 Ų48.765%0.64823%0.231SC*.SBendtrans-131.4124.2173.2-65.1-173.5179.3-174.70110.2A59 S63A59-K61 PolarHBondContact O-N 3.37Å; K61-S63 VanDerWaalsContact C-N 3.32Å; K61-S63 PolarHBondContact O-N 3Å
62Q69.2Low82.4Confident100 Ų10048.7 Ų48.747%0.46723%0.231SC..  trans-73.887.5172.3-70.7-178.5-24.200109.6
63S78.3Confident82.6Confident22 Ų2247.1 Ų47.115%0.15422%0.223CC..  trans-68161.1169.585.10000110.7K61 T65 T66 L67K61-S63 VanDerWaalsContact C-N 3.32Å; K61-S63 PolarHBondContact O-N 3Å; S63-T65 VanDerWaalsContact C-N 3.35Å; S63-T65 PolarHBondContact O-N 2.96Å; S63-T66 WeakPolarHBondContact O-CB 3.46Å; S63-T66 PolarHBondContact O-N 2.96Å; S63-T66 VanDerWaalsContact O-N 3.13Å; S63-T66 PolarHBondContact OG-N 2.95Å; S63-T66 PolarHBondContact OG-OG1 3.4Å; S63-L67 PolarHBondContact O-N 2.98Å
64V82.8Confident82.8Confident21 Ų2144.6 Ų44.613%0.12722%0.218CC..Hα-helixtrans-60.7-45179.9-174.40000111.3T66 L67 L68 Y126 T141 I146V64-T66 VanDerWaalsContact C-N 3.31Å; V64-T66 PolarHBondContact O-N 3.3Å; V64-L67 PolarHBondContact O-N 3.47Å; V64-L68 HydrophobicContact CG1-CD1 4.36Å; V64-L68 WeakPolarHBondContact O-CG 3.29Å; V64-L68 PolarHBondContact O-N 3.48Å; V64-Y126 HydrophobicContact CB-CD2 4.28Å; V64-Y126 HydrophobicContact CB-CE1 4.25Å; V64-Y126 HydrophobicContact CB-CE2 3.8Å; V64-Y126 HydrophobicContact CG1-CD2 3.84Å; V64-Y126 HydrophobicContact CG1-CE2 3.88Å; V64-Y126 HydrophobicContact CG1-CG 4.17Å; V64-Y126 HydrophobicContact CG2-CE2 4.1Å; V64-T141 HydrophobicContact CB-CG2 4.11Å; V64-T141 HydrophobicContact CG1-CG2 3.69Å; V64-T141 HydrophobicContact CG2-CG2 3.6Å; V64-I146 HydrophobicContact CB-CD1 3.88Å; V64-I146 HydrophobicContact CG1-CD1 3.63Å; V64-I146 HydrophobicContact CG1-CG1 4.01Å; V64-I146 HydrophobicContact CG1-CG2 4.24Å; V64-I146 HydrophobicContact CG2-CD1 3.24Å; V64-I146 HydrophobicContact CG2-CG1 4.38Å
65T81.7Confident83.3Confident5 Ų544.8 Ų44.83%0.03122%0.219CC..Hα-helixtrans-56.1-46.8173.7-45.50000111.2S63 L67 L68 I69 Y126 F319 T322S63-T65 VanDerWaalsContact C-N 3.35Å; S63-T65 PolarHBondContact O-N 2.96Å; T65-L67 VanDerWaalsContact C-N 3.31Å; T65-L67 PolarHBondContact O-N 3.32Å; T65-L68 PolarHBondContact O-N 3.38Å; T65-I69 HydrophobicContact CG2-CD1 3.87Å; T65-I69 VanDerWaalsContact O-CG1 3.31Å; T65-I69 WeakPolarHBondContact O-CG1 3.43Å; T65-I69 PolarHBondContact O-N 3.49Å; T65-Y126 WeakPolarHBondContact OG1-CE1 3.45Å; T65-F319 HydrophobicContact CG2-CD1 4.33Å; T65-T322 PolarHBondContact OG1-OG1 3.28Å
66T83.8Confident83.8Confident1 Ų144.7 Ų44.71%0.00622%0.219CC..Hα-helixtrans-63.4-38.9-178.7-53.50000111.3I55 A59 S63 V64 L70I55-T66 HydrophobicContact CB-CG2 4.29Å; I55-T66 HydrophobicContact CD1-CG2 4.25Å; I55-T66 HydrophobicContact CG1-CG2 4.05Å; I55-T66 HydrophobicContact CG2-CG2 3.38Å; A59-T66 HydrophobicContact CB-CG2 4.23Å; S63-T66 WeakPolarHBondContact O-CB 3.46Å; S63-T66 PolarHBondContact O-N 2.96Å; S63-T66 VanDerWaalsContact O-N 3.13Å; S63-T66 PolarHBondContact OG-N 2.95Å; S63-T66 PolarHBondContact OG-OG1 3.4Å; V64-T66 VanDerWaalsContact C-N 3.31Å; V64-T66 PolarHBondContact O-N 3.3Å; T66-L70 VanDerWaalsContact O-CB 3.3Å; T66-L70 WeakPolarHBondContact O-CB 3.44Å; T66-L70 PolarHBondContact O-N 2.88Å
67L88.5Confident84.2Confident21 Ų2140 Ų4011%0.1120%0.197CC..Hα-helixtrans-68.6-41177.1-172.368.8000112.4S63 V64 T65 L70 N71 I146 M147 L150S63-L67 PolarHBondContact O-N 2.98Å; V64-L67 PolarHBondContact O-N 3.47Å; T65-L67 VanDerWaalsContact C-N 3.31Å; T65-L67 PolarHBondContact O-N 3.32Å; L67-L70 PolarHBondContact O-N 2.94Å; L67-N71 PolarHBondContact O-N 3.5Å; L67-N71 PolarHBondContact O-ND2 3.37Å; L67-I146 HydrophobicContact CD2-CG2 3.79Å; L67-M147 HydrophobicContact CD2-SD 3.86Å; L67-L150 HydrophobicContact CD2-CD1 3.62Å; L67-L150 HydrophobicContact CG-CD1 3.86Å
68L90.6Very high84.8Confident5 Ų540.1 Ų40.13%0.02619%0.193CC..Hα-helixtrans-64.4-43.1176.3-68.2175.7000111.5V64 T65 L70 N71 L72 L119 L122 M123 L150V64-L68 HydrophobicContact CG1-CD1 4.36Å; V64-L68 WeakPolarHBondContact O-CG 3.29Å; V64-L68 PolarHBondContact O-N 3.48Å; T65-L68 PolarHBondContact O-N 3.38Å; L68-L70 VanDerWaalsContact C-N 3.35Å; L68-N71 PolarHBondContact O-N 3.38Å; L68-L72 PolarHBondContact O-N 3.09Å; L68-L119 HydrophobicContact CD2-CD2 4.13Å; L68-L122 HydrophobicContact CD1-CB 4.49Å; L68-L122 HydrophobicContact CD2-CB 4.16Å; L68-L122 HydrophobicContact CD2-CD2 4.18Å; L68-M123 HydrophobicContact CB-CG 3.64Å; L68-M123 HydrophobicContact CB-SD 4.29Å; L68-M123 HydrophobicContact CD1-CB 4.33Å; L68-M123 HydrophobicContact CD1-CG 3.61Å; L68-M123 HydrophobicContact CG-CG 4.23Å; L68-L150 HydrophobicContact CD2-CD2 3.99Å
69I89.8Confident85.9Confident4 Ų435.6 Ų35.62%0.02118%0.176CC..Hα-helixtrans-67.2-37.5177-68.1173.7000111.3V51 I55 T65 L72 A73 M123 Y299 F319V51-I69 HydrophobicContact CG1-CG2 4.11Å; I55-I69 HydrophobicContact CD1-CB 4.48Å; I55-I69 HydrophobicContact CD1-CG2 3.97Å; T65-I69 HydrophobicContact CG2-CD1 3.87Å; T65-I69 VanDerWaalsContact O-CG1 3.31Å; T65-I69 WeakPolarHBondContact O-CG1 3.43Å; T65-I69 PolarHBondContact O-N 3.49Å; I69-L72 PolarHBondContact O-N 2.7Å; I69-A73 WeakPolarHBondContact O-CB 3.28Å; I69-A73 PolarHBondContact O-N 2.95Å; I69-M123 HydrophobicContact CG1-SD 3.84Å; I69-Y299 HydrophobicContact CG2-CE2 4.06Å; I69-F319 HydrophobicContact CD1-CD1 3.24Å; I69-F319 HydrophobicContact CD1-CD2 3.93Å; I69-F319 HydrophobicContact CD1-CE1 3.18Å; I69-F319 HydrophobicContact CD1-CE2 3.89Å; I69-F319 HydrophobicContact CD1-CG 3.64Å; I69-F319 HydrophobicContact CD1-CZ 3.53Å; I69-F319 HydrophobicContact CG2-CE2 4.13Å; I69-F319 HydrophobicContact CG2-CZ 4.39Å
70L91.5Very high87Confident13 Ų1334.7 Ų34.77%0.06817%0.169CC..Hα-helixtrans-61-46.6173.6178.963.9000111.4I52 I55 L56 T66 L67 L68 L72 A73 I74I52-L70 HydrophobicContact CB-CD1 4.27Å; I52-L70 HydrophobicContact CG1-CD1 4.18Å; I52-L70 HydrophobicContact CG2-CD1 4.09Å; I55-L70 HydrophobicContact CB-CD1 4.38Å; I55-L70 HydrophobicContact CD1-CB 4.2Å; I55-L70 HydrophobicContact CG2-CB 4.22Å; I55-L70 HydrophobicContact CG2-CD1 4.24Å; I55-L70 HydrophobicContact CG2-CD2 4.24Å; I55-L70 HydrophobicContact CG2-CG 4.47Å; L56-L70 HydrophobicContact CD2-CD1 4.48Å; L56-L70 HydrophobicContact CD2-CD2 3.9Å; L56-L70 HydrophobicContact CG-CD1 4.32Å; T66-L70 VanDerWaalsContact O-CB 3.3Å; T66-L70 WeakPolarHBondContact O-CB 3.44Å; T66-L70 PolarHBondContact O-N 2.88Å; L67-L70 PolarHBondContact O-N 2.94Å; L68-L70 VanDerWaalsContact C-N 3.35Å; L70-L72 VanDerWaalsContact C-N 3.29Å; L70-L72 PolarHBondContact O-N 2.87Å; L70-A73 PolarHBondContact O-N 3.5Å; L70-I74 HydrophobicContact CD1-CD1 4.3Å; L70-I74 HydrophobicContact CG-CD1 4.04Å; L70-I74 VanDerWaalsContact O-CG1 3.28Å; L70-I74 WeakPolarHBondContact O-CG1 3.37Å; L70-I74 PolarHBondContact O-N 2.91Å
71N94.6Very high88.6Confident22 Ų2226.7 Ų26.712%0.11815%0.148CC..Hα-helixtrans-62.5-37.7176.6-82.5-97.8000111.6L67 L68 I74 A75 L119 W154L67-N71 PolarHBondContact O-N 3.5Å; L67-N71 PolarHBondContact O-ND2 3.37Å; L68-N71 PolarHBondContact O-N 3.38Å; N71-I74 PolarHBondContact O-N 3.03Å; N71-A75 PolarHBondContact O-N 3.44Å; N71-L119 HydrophobicContact CB-CD1 3.93Å; N71-L119 HydrophobicContact CB-CD2 3.76Å; N71-W154 PolarHBondContact OD1-NE1 2.89Å
72L93.8Very high89.9Confident0 Ų020.9 Ų20.90%012%0.124CC..Hα-helixtrans-65.6-44.2176.6-178.662.3000111.3L68 I69 L70 I74 A75 D76 S116 L119 I120 M123L68-L72 PolarHBondContact O-N 3.09Å; I69-L72 PolarHBondContact O-N 2.7Å; L70-L72 VanDerWaalsContact C-N 3.29Å; L70-L72 PolarHBondContact O-N 2.87Å; L72-I74 VanDerWaalsContact C-N 3.29Å; L72-I74 PolarHBondContact O-N 3.43Å; L72-A75 PolarHBondContact O-N 3.33Å; L72-D76 WeakPolarHBondContact O-CB 3.37Å; L72-D76 PolarHBondContact O-N 3.42Å; L72-S116 WeakPolarHBondContact CD1-OG 3.42Å; L72-L119 HydrophobicContact CB-CD1 4.11Å; L72-L119 HydrophobicContact CD1-CB 4.48Å; L72-L119 HydrophobicContact CD1-CD1 4.37Å; L72-I120 HydrophobicContact CD2-CG1 4.43Å; L72-M123 HydrophobicContact CB-CE 4.43Å; L72-M123 HydrophobicContact CD2-CE 3.54Å
73A94.5Very high91Very high1 Ų116.1 Ų16.11%0.00810%0.102CC..Hα-helixtrans-65.1-32.8176.100000112.4V51 I52 I69 L70 G77V51-A73 HydrophobicContact CB-CB 4.08Å; V51-A73 HydrophobicContact CG1-CB 3.67Å; I52-A73 HydrophobicContact CD1-CB 4.47Å; I52-A73 HydrophobicContact CG1-CB 3.81Å; I69-A73 WeakPolarHBondContact O-CB 3.28Å; I69-A73 PolarHBondContact O-N 2.95Å; L70-A73 PolarHBondContact O-N 3.5Å; A73-G77 WeakPolarHBondContact O-CA 3.19Å; A73-G77 PolarHBondContact O-N 2.87Å
74I95.3Very high91.7Very high67 Ų6717.4 Ų17.434%0.34411%0.11SC..Hα-helixtrans-66.9-46172.8-70.2165.3000110.7I52 L70 N71 L72 S78I52-I74 HydrophobicContact CD1-CG1 4.03Å; I52-I74 HydrophobicContact CG1-CG1 4.23Å; L70-I74 HydrophobicContact CD1-CD1 4.3Å; L70-I74 HydrophobicContact CG-CD1 4.04Å; L70-I74 VanDerWaalsContact O-CG1 3.28Å; L70-I74 WeakPolarHBondContact O-CG1 3.37Å; L70-I74 PolarHBondContact O-N 2.91Å; N71-I74 PolarHBondContact O-N 3.03Å; L72-I74 VanDerWaalsContact C-N 3.29Å; L72-I74 PolarHBondContact O-N 3.43Å; I74-S78 WeakPolarHBondContact O-CB 3.26Å; I74-S78 PolarHBondContact O-N 2.9Å; I74-S78 PolarHBondContact O-OG 3.27Å
75A95.6Very high92.1Very high4 Ų420.2 Ų20.23%0.03312%0.121CC..Hα-helixtrans-59.6-59.1176.200000110.6N71 L72 G77 S78 L79 N112 A115 W154N71-A75 PolarHBondContact O-N 3.44Å; L72-A75 PolarHBondContact O-N 3.33Å; A75-G77 VanDerWaalsContact C-N 3.33Å; A75-G77 PolarHBondContact O-N 3.05Å; A75-S78 WeakPolarHBondContact O-CA 3.44Å; A75-S78 WeakPolarHBondContact O-CB 3.3Å; A75-S78 PolarHBondContact O-N 3.01Å; A75-L79 PolarHBondContact O-N 3.08Å; A75-N112 PolarHBondContact O-OD1 3.06Å; A75-A115 HydrophobicContact CB-CB 4.06Å; A75-W154 HydrophobicContact CB-CH2 4.14Å
76D95.2Very high92.6Very high0 Ų020.7 Ų20.70%012%0.122CC..Hα-helixtrans-60.7-42.3-178.2-73.9-32.7000111.7L72 S78 L79 M80 N112 S116 S292 N295L72-D76 WeakPolarHBondContact O-CB 3.37Å; L72-D76 PolarHBondContact O-N 3.42Å; D76-S78 VanDerWaalsContact C-N 3.29Å; D76-S78 PolarHBondContact O-N 2.92Å; D76-L79 PolarHBondContact O-N 2.86Å; D76-M80 VanDerWaalsContact O-CG 3.26Å; D76-M80 WeakPolarHBondContact O-CG 3.27Å; D76-M80 PolarHBondContact O-N 3.44Å; D76-N112 PolarHBondContact N-OD1 3.43Å; D76-S116 PolarHBondContact OD1-OG 2.79Å; D76-S292 WeakPolarHBondContact OD1-CB 3.22Å; D76-S292 PolarHBondContact OD1-OG 3.46Å; D76-N295 PolarHBondContact OD2-ND2 3.48Å
77G94.1Very high92.9Very high10 Ų1022.1 Ų22.110%0.10313%0.13CC..Hα-helixtrans-61-37.1175.600000112.8A73 A75 M80 A81A73-G77 WeakPolarHBondContact O-CA 3.19Å; A73-G77 PolarHBondContact O-N 2.87Å; A75-G77 VanDerWaalsContact C-N 3.33Å; A75-G77 PolarHBondContact O-N 3.05Å; G77-M80 PolarHBondContact O-N 3.4Å; G77-A81 PolarHBondContact O-N 3.1Å
78S94.2Very high93Very high65 Ų6522.6 Ų22.646%0.45514%0.136SC..Hα-helixtrans-64.3-46.4173.9-57.40000110.6I74 A75 D76 M80 A81 L82I74-S78 WeakPolarHBondContact O-CB 3.26Å; I74-S78 PolarHBondContact O-N 2.9Å; I74-S78 PolarHBondContact O-OG 3.27Å; A75-S78 WeakPolarHBondContact O-CA 3.44Å; A75-S78 WeakPolarHBondContact O-CB 3.3Å; A75-S78 PolarHBondContact O-N 3.01Å; D76-S78 VanDerWaalsContact C-N 3.29Å; D76-S78 PolarHBondContact O-N 2.92Å; S78-M80 VanDerWaalsContact C-N 3.31Å; S78-M80 PolarHBondContact O-N 3.14Å; S78-A81 WeakPolarHBondContact O-CB 3.41Å; S78-A81 PolarHBondContact O-N 2.96Å; S78-A81 VanDerWaalsContact O-N 3.15Å; S78-L82 WeakPolarHBondContact O-CG 3.41Å; S78-L82 PolarHBondContact O-N 3.29Å
79L94.6Very high92.9Very high5 Ų524.4 Ų24.43%0.02614%0.143CC..Hα-helixtrans-60.4-40.4174.8-178.766.2000112.2A75 D76 A81 L82 T83 C109 N112 F289A75-L79 PolarHBondContact O-N 3.08Å; D76-L79 PolarHBondContact O-N 2.86Å; L79-A81 VanDerWaalsContact C-N 3.3Å; L79-A81 PolarHBondContact O-N 2.97Å; L79-L82 WeakPolarHBondContact O-CB 3.18Å; L79-L82 PolarHBondContact O-N 3.23Å; L79-T83 PolarHBondContact O-N 3.46Å; L79-T83 VanDerWaalsContact O-N 3.09Å; L79-T83 PolarHBondContact O-OG1 3.37Å; L79-C109 HydrophobicContact CD1-CB 4.19Å; L79-C109 WeakPolarHBondContact CD1-SG 3.29Å; L79-N112 HydrophobicContact CB-CB 4.15Å; L79-N112 VanDerWaalsContact CD2-ND2 3.32Å; L79-N112 WeakPolarHBondContact CD2-ND2 3.4Å; L79-F289 HydrophobicContact CD1-CD1 4.45Å; L79-F289 HydrophobicContact CD1-CE1 3.75Å; L79-F289 HydrophobicContact CD1-CZ 3.94Å; L79-F289 HydrophobicContact CD2-CD1 4.16Å; L79-F289 HydrophobicContact CD2-CE1 4.25Å; L79-F289 HydrophobicContact CD2-CG 4.47Å; L79-F289 HydrophobicContact CG-CD1 4.29Å; L79-F289 HydrophobicContact CG-CE1 4.05Å
80M94.3Very high92.7Very high0 Ų025.9 Ų25.90%015%0.151CC..Hα-helixtrans-62.8-38176.4-65.4-59.491.400111.6V40 F41 F45 D76 G77 S78 L82 T83 P84 F289V40-M80 HydrophobicContact CG1-CE 3.88Å; V40-M80 HydrophobicContact CG1-SD 3.64Å; F41-M80 WeakPolarHBondContact CD2-O 3.48Å; F45-M80 HydrophobicContact CB-CB 4.1Å; F45-M80 HydrophobicContact CD2-CB 4.22Å; D76-M80 VanDerWaalsContact O-CG 3.26Å; D76-M80 WeakPolarHBondContact O-CG 3.27Å; D76-M80 PolarHBondContact O-N 3.44Å; G77-M80 PolarHBondContact O-N 3.4Å; S78-M80 VanDerWaalsContact C-N 3.31Å; S78-M80 PolarHBondContact O-N 3.14Å; M80-L82 PolarHBondContact O-N 3.43Å; M80-T83 WeakPolarHBondContact O-CB 3.29Å; M80-T83 PolarHBondContact O-N 2.82Å; M80-T83 VanDerWaalsContact O-N 3.16Å; M80-T83 PolarHBondContact O-OG1 3.25Å; M80-P84 WeakPolarHBondContact O-CD 3.38Å; M80-F289 HydrophobicContact CE-CD1 4.44Å
81A93.3Very high92.4Very high45 Ų4528.5 Ų28.537%0.37217%0.174SC..Hα-helixtrans-63.8-26.1173.800000113.2F45 G77 S78 L79 P84F45-A81 HydrophobicContact CD2-CB 4.46Å; F45-A81 HydrophobicContact CE2-CB 4.05Å; G77-A81 PolarHBondContact O-N 3.1Å; S78-A81 WeakPolarHBondContact O-CB 3.41Å; S78-A81 PolarHBondContact O-N 2.96Å; S78-A81 VanDerWaalsContact O-N 3.15Å; L79-A81 VanDerWaalsContact C-N 3.3Å; L79-A81 PolarHBondContact O-N 2.97Å; A81-P84 WeakPolarHBondContact O-CD 3.23Å
82L93.1Very high91.9Very high27 Ų2733 Ų3314%0.14120%0.196CC..Hα-helixtrans-83.8-20.7175.8-56.5-176.8000113.4S78 L79 M80 P84 F85 F86 L105 L108S78-L82 WeakPolarHBondContact O-CG 3.41Å; S78-L82 PolarHBondContact O-N 3.29Å; L79-L82 WeakPolarHBondContact O-CB 3.18Å; L79-L82 PolarHBondContact O-N 3.23Å; M80-L82 PolarHBondContact O-N 3.43Å; L82-P84 VanDerWaalsContact C-N 3.34Å; L82-F85 WeakPolarHBondContact O-CB 3.48Å; L82-F85 WeakPolarHBondContact O-CD2 3.39Å; L82-F85 PolarHBondContact O-N 3.25Å; L82-F85 VanDerWaalsContact O-N 3.08Å; L82-F86 HydrophobicContact CB-CE2 4.31Å; L82-F86 WeakPolarHBondContact O-CD2 3.39Å; L82-L105 HydrophobicContact CB-CD2 3.91Å; L82-L105 HydrophobicContact CD1-CD2 4.05Å; L82-L105 HydrophobicContact CD2-CD2 3.68Å; L82-L105 HydrophobicContact CG-CD2 4.05Å; L82-L108 HydrophobicContact CD1-CB 3.46Å; L82-L108 VanDerWaalsContact CD1-CB 3.46Å; L82-L108 HydrophobicContact CD1-CD1 3.75Å; L82-L108 HydrophobicContact CD1-CG 4.26Å; L82-L108 HydrophobicContact CD2-CD1 4.3Å
83T92.1Very high91.3Very high0 Ų035 Ų350%021%0.206CC..Hα-helixtrans-55.6-37.2-175.4-58.50000114.2L37 F41 L79 M80 F85 F86 I87L37-T83 HydrophobicContact CB-CG2 4.1Å; L37-T83 HydrophobicContact CD2-CG2 4.3Å; F41-T83 HydrophobicContact CB-CG2 4.12Å; L79-T83 PolarHBondContact O-N 3.46Å; L79-T83 VanDerWaalsContact O-N 3.09Å; L79-T83 PolarHBondContact O-OG1 3.37Å; M80-T83 WeakPolarHBondContact O-CB 3.29Å; M80-T83 PolarHBondContact O-N 2.82Å; M80-T83 VanDerWaalsContact O-N 3.16Å; M80-T83 PolarHBondContact O-OG1 3.25Å; T83-F85 PolarHBondContact O-N 3.25Å; T83-F86 WeakPolarHBondContact O-CB 3.38Å; T83-F86 PolarHBondContact O-N 2.96Å; T83-I87 HydrophobicContact CG2-CD1 4.13Å; T83-I87 HydrophobicContact CG2-CG1 4.34Å; T83-I87 WeakPolarHBondContact O-CG1 3.5Å; T83-I87 PolarHBondContact O-N 2.66Å
84P92.8Very high90.8Very high50 Ų5036.5 Ų36.533%0.32521%0.214SC..Hα-helixtrans-55.4-33.8174.7-28.636.9000114.8F41 M80 A81 L82 F86 I87 A88F41-P84 HydrophobicContact CD2-CG 3.9Å; F41-P84 HydrophobicContact CE2-CG 3.6Å; F41-P84 HydrophobicContact CZ-CG 4Å; M80-P84 WeakPolarHBondContact O-CD 3.38Å; A81-P84 WeakPolarHBondContact O-CD 3.23Å; L82-P84 VanDerWaalsContact C-N 3.34Å; P84-F86 VanDerWaalsContact C-N 3.35Å; P84-I87 PolarHBondContact O-N 3.49Å; P84-A88 PolarHBondContact O-N 3.37Å
85F92Very high90.4Very high80 Ų8033.5 Ų33.535%0.35120%0.198SC..Hα-helixtrans-67.4-37.1176.4-62.1-79.3000111.6L82 T83 A88 Y89 M97 L105L82-F85 WeakPolarHBondContact O-CB 3.48Å; L82-F85 WeakPolarHBondContact O-CD2 3.39Å; L82-F85 PolarHBondContact O-N 3.25Å; L82-F85 VanDerWaalsContact O-N 3.08Å; T83-F85 PolarHBondContact O-N 3.25Å; F85-A88 PolarHBondContact O-N 3.4Å; F85-Y89 PolarHBondContact O-N 2.72Å; F85-M97 HydrophobicContact CB-CE 4.27Å; F85-M97 HydrophobicContact CB-SD 4.1Å; F85-M97 HydrophobicContact CD1-CE 4.27Å; F85-M97 HydrophobicContact CD1-SD 3.63Å; F85-M97 HydrophobicContact CG-SD 4.32Å; F85-M97 WeakPolarHBondContact O-CE 3.17Å; F85-L105 HydrophobicContact CB-CD1 3.69Å; F85-L105 HydrophobicContact CB-CD2 4.43Å; F85-L105 HydrophobicContact CD2-CD2 4.02Å; F85-L105 HydrophobicContact CG-CD1 4.07Å; F85-L105 HydrophobicContact CG-CD2 4.37Å
86F90.5Very high90Very high15 Ų1540.6 Ų40.67%0.06623%0.228CC..Hα-helixtrans-70.2-36.4174.4-64.9-77.9000112.3L37 L82 T83 P84 Y89 L90 L105 F106 C109 F289L37-F86 HydrophobicContact CD1-CB 3.9Å; L82-F86 HydrophobicContact CB-CE2 4.31Å; L82-F86 WeakPolarHBondContact O-CD2 3.39Å; T83-F86 WeakPolarHBondContact O-CB 3.38Å; T83-F86 PolarHBondContact O-N 2.96Å; P84-F86 VanDerWaalsContact C-N 3.35Å; F86-Y89 PolarHBondContact O-N 3.04Å; F86-L90 WeakPolarHBondContact O-CG 3.25Å; F86-L90 PolarHBondContact O-N 2.93Å; F86-L105 HydrophobicContact CZ-CB 4.06Å; F86-F106 HydrophobicContact CD1-CZ 4.47Å; F86-F106 HydrophobicContact CE1-CD2 4.41Å; F86-F106 HydrophobicContact CE1-CE1 4.05Å; F86-F106 AromaticContact CE1-CE2 3.85Å; F86-F106 HydrophobicContact CE1-CE2 3.85Å; F86-F106 AromaticContact CE1-CZ 3.67Å; F86-F106 HydrophobicContact CE1-CZ 3.67Å; F86-C109 VanDerWaalsContact CE2-SG 3.54Å; F86-C109 WeakPolarHBondContact CZ-SG 3.45Å; F86-F289 HydrophobicContact CD2-CE1 4.01Å; F86-F289 HydrophobicContact CD2-CZ 4.05Å; F86-F289 HydrophobicContact CE2-CE1 4.21Å; F86-F289 AromaticContact CE2-CZ 3.96Å; F86-F289 HydrophobicContact CE2-CZ 3.96Å; F86-F289 HydrophobicContact CG-CZ 4.44Å; F86-F289 HydrophobicContact CZ-CZ 4.29Å
87I90.5Very high89.6Confident30 Ų3043.7 Ų43.715%0.15424%0.244CC..Hα-helixtrans-60.7-48172.4-67.4169.9000110T34 L37 F41 T83 P84 Y89 L90 A91T34-I87 HydrophobicContact CG2-CG2 4.21Å; L37-I87 HydrophobicContact CB-CD1 4.32Å; L37-I87 HydrophobicContact CB-CG1 3.76Å; F41-I87 HydrophobicContact CB-CD1 4.32Å; T83-I87 HydrophobicContact CG2-CD1 4.13Å; T83-I87 HydrophobicContact CG2-CG1 4.34Å; T83-I87 WeakPolarHBondContact O-CG1 3.5Å; T83-I87 PolarHBondContact O-N 2.66Å; P84-I87 PolarHBondContact O-N 3.49Å; I87-Y89 VanDerWaalsContact C-N 3.34Å; I87-Y89 PolarHBondContact O-N 3.16Å; I87-L90 PolarHBondContact O-N 3.12Å; I87-A91 WeakPolarHBondContact O-CB 3.2Å; I87-A91 PolarHBondContact O-N 3.18Å
88A90.4Very high89.4Confident31 Ų3145 Ų4526%0.25626%0.257SS..Hα-helixtrans-60.9-42.5177.200000112.1P84 F85 A91 M92 M97P84-A88 PolarHBondContact O-N 3.37Å; F85-A88 PolarHBondContact O-N 3.4Å; A88-A91 PolarHBondContact O-N 2.89Å; A88-M92 WeakPolarHBondContact O-CB 3.34Å; A88-M92 WeakPolarHBondContact O-CG 3.36Å; A88-M92 PolarHBondContact O-N 3.22Å; A88-M97 HydrophobicContact CB-CE 3.87Å
89Y88.1Confident89.2Confident43 Ų4344.6 Ų44.617%0.16925%0.252CS..Hα-helixtrans-61.1-44.5175.3173.3-123.5000112.6F85 F86 I87 M93 W95F85-Y89 PolarHBondContact O-N 2.72Å; F86-Y89 PolarHBondContact O-N 3.04Å; I87-Y89 VanDerWaalsContact C-N 3.34Å; I87-Y89 PolarHBondContact O-N 3.16Å; Y89-M93 VanDerWaalsContact O-CA 3.31Å; Y89-M93 WeakPolarHBondContact O-CA 3.3Å; Y89-M93 PolarHBondContact O-N 3.47Å; Y89-W95 HydrophobicContact CD1-CE3 4.31Å; Y89-W95 HydrophobicContact CD1-CZ3 4.5Å; Y89-W95 HydrophobicContact CD2-CB 4.04Å; Y89-W95 HydrophobicContact CD2-CD2 4.44Å; Y89-W95 AromaticContact CD2-CE3 3.55Å; Y89-W95 HydrophobicContact CD2-CE3 3.55Å; Y89-W95 HydrophobicContact CD2-CZ3 4.35Å; Y89-W95 HydrophobicContact CE2-CB 3.83Å; Y89-W95 HydrophobicContact CE2-CE3 4.04Å; Y89-W95 AromaticContact CG-CE3 3.68Å; Y89-W95 HydrophobicContact CG-CE3 3.68Å; Y89-W95 HydrophobicContact CG-CZ3 4.03Å
90L85.6Confident89.1Confident36 Ų3649.8 Ų49.819%0.18828%0.284CS..Hα-helixtrans-67.3-36.6177.5-73.4168.7000112.6T30 T34 L37 F86 I87T30-L90 HydrophobicContact CG2-CD2 4.44Å; T34-L90 VanDerWaalsContact OG1-CB 3.28Å; T34-L90 WeakPolarHBondContact OG1-CB 3.38Å; L37-L90 HydrophobicContact CD1-CD1 3.54Å; L37-L90 HydrophobicContact CG-CD1 4.4Å; F86-L90 WeakPolarHBondContact O-CG 3.25Å; F86-L90 PolarHBondContact O-N 2.93Å; I87-L90 PolarHBondContact O-N 3.12Å
91A86Confident89Confident67 Ų6753.1 Ų53.155%0.55430%0.3SS*.Hα-helixtrans-70.4-42.7179.300000112.4I87 A88 M93I87-A91 WeakPolarHBondContact O-CB 3.2Å; I87-A91 PolarHBondContact O-N 3.18Å; A88-A91 PolarHBondContact O-N 2.89Å; A91-M93 VanDerWaalsContact C-N 3.32Å
92M84.1Confident89Confident118 Ų11851 Ų5158%0.58128%0.283SS*.Hα-helixtrans-80.2-17.6178.1-63.7-176.5-175.200112.7A88 D94A88-M92 WeakPolarHBondContact O-CB 3.34Å; A88-M92 WeakPolarHBondContact O-CG 3.36Å; A88-M92 PolarHBondContact O-N 3.22Å; M92-D94 PolarHBondContact O-N 3.14Å
93M81Confident89Confident41 Ų4152.9 Ų52.920%0.20229%0.29CS..THydrogen-bonded Turntrans50.423.9-169.8-51-171.8100.800113.9V24 T30 Y89 A91 R178V24-M93 WeakPolarHBondContact O-CE 3.48Å; T30-M93 HydrophobicContact CG2-CE 3.27Å; T30-M93 WeakPolarHBondContact OG1-CE 3.44Å; Y89-M93 VanDerWaalsContact O-CA 3.31Å; Y89-M93 WeakPolarHBondContact O-CA 3.3Å; Y89-M93 PolarHBondContact O-N 3.47Å; A91-M93 VanDerWaalsContact C-N 3.32Å; M93-R178 WeakPolarHBondContact O-CD 3.22Å; M93-R178 PolarHBondContact SD-NH1 3.12Å
94D84.3Confident89.1Confident33 Ų3355.7 Ų55.718%0.17631%0.307CS..SBendtrans-150.4134-173.8-173.233.7000110.1M92 K96 T179M92-D94 PolarHBondContact O-N 3.14Å; D94-K96 PolarHBondContact O-N 3.35Å; D94-K96 WeakPolarHBondContact OD2-CE 3.38Å; D94-K96 WeakPolarHBondContact OD2-CG 3.4Å; D94-T179 WeakPolarHBondContact OD1-CA 3.22Å; D94-T179 PolarHBondContact OD1-N 3.14Å
95W86.9Confident89.1Confident4 Ų453.4 Ų53.42%0.01529%0.292CS..  trans-89.999.8-179.3-172.5-89.5000111.4Y89 M97 G98 M101 C102 L105 T179 C181Y89-W95 HydrophobicContact CD1-CE3 4.31Å; Y89-W95 HydrophobicContact CD1-CZ3 4.5Å; Y89-W95 HydrophobicContact CD2-CB 4.04Å; Y89-W95 HydrophobicContact CD2-CD2 4.44Å; Y89-W95 AromaticContact CD2-CE3 3.55Å; Y89-W95 HydrophobicContact CD2-CE3 3.55Å; Y89-W95 HydrophobicContact CD2-CZ3 4.35Å; Y89-W95 HydrophobicContact CE2-CB 3.83Å; Y89-W95 HydrophobicContact CE2-CE3 4.04Å; Y89-W95 AromaticContact CG-CE3 3.68Å; Y89-W95 HydrophobicContact CG-CE3 3.68Å; Y89-W95 HydrophobicContact CG-CZ3 4.03Å; W95-M97 HydrophobicContact CH2-SD 4.08Å; W95-M97 HydrophobicContact CZ2-CB 3.94Å; W95-M97 HydrophobicContact CZ2-SD 4.17Å; W95-G98 PolarHBondContact NE1-O 2.97Å; W95-M101 HydrophobicContact CZ2-CB 4.2Å; W95-M101 HydrophobicContact CZ2-CG 4.14Å; W95-C102 VanDerWaalsContact CZ2-CA 3.46Å; W95-C102 HydrophobicContact CZ2-CB 3.86Å; W95-L105 HydrophobicContact CH2-CD1 3.55Å; W95-L105 HydrophobicContact CZ2-CD1 4.11Å; W95-T179 HydrophobicContact CB-CG2 4.19Å; W95-T179 WeakPolarHBondContact CB-O 3.34Å; W95-T179 PolarHBondContact N-O 3.13Å; W95-T179 WeakPolarHBondContact O-CB 3.49Å; W95-T179 WeakPolarHBondContact O-CG2 3.47Å; W95-C181 HydrophobicContact CD2-CB 3.79Å; W95-C181 HydrophobicContact CE3-CB 3.94Å; W95-C181 HydrophobicContact CG-CB 4.01Å
96K87.1Confident89.2Confident152 Ų15251.6 Ų51.666%0.66128%0.284SS*.  trans-101.6-4.4-178.8-62.6-171.8178-176.90115.3D94 G98D94-K96 PolarHBondContact O-N 3.35Å; D94-K96 WeakPolarHBondContact OD2-CE 3.38Å; D94-K96 WeakPolarHBondContact OD2-CG 3.4Å; K96-G98 PolarHBondContact O-N 3.49Å
97M86.8Confident89.4Confident65 Ų6552.2 Ų52.232%0.3229%0.286SS..SBendtrans-83.75-171.8-54.5172.1-154.400113.9F85 A88 W95 M101F85-M97 HydrophobicContact CB-CE 4.27Å; F85-M97 HydrophobicContact CB-SD 4.1Å; F85-M97 HydrophobicContact CD1-CE 4.27Å; F85-M97 HydrophobicContact CD1-SD 3.63Å; F85-M97 HydrophobicContact CG-SD 4.32Å; F85-M97 WeakPolarHBondContact O-CE 3.17Å; A88-M97 HydrophobicContact CB-CE 3.87Å; W95-M97 HydrophobicContact CH2-SD 4.08Å; W95-M97 HydrophobicContact CZ2-CB 3.94Å; W95-M97 HydrophobicContact CZ2-SD 4.17Å; M97-M101 HydrophobicContact CB-CB 3.9Å; M97-M101 HydrophobicContact CB-CG 3.85Å; M97-M101 VanDerWaalsContact O-CB 3.27Å; M97-M101 WeakPolarHBondContact O-CB 3.38Å; M97-M101 HydrophobicContact SD-CG 4.27Å
98G89.8Confident89.6Confident38 Ų3854 Ų5439%0.39230%0.295SS..Hα-helixtrans78169.6179.600000114.8W95 K96 C102W95-G98 PolarHBondContact NE1-O 2.97Å; K96-G98 PolarHBondContact O-N 3.49Å; G98-C102 PolarHBondContact O-N 2.96Å
99T91Very high89.8Confident56 Ų5653.2 Ų53.234%0.34429%0.288SS..Hα-helixtrans-67.7-38.2-173.6-53.90000113.2M101 C102 K103 D169T99-M101 PolarHBondContact O-N 2.95Å; T99-C102 WeakPolarHBondContact O-CB 3.33Å; T99-C102 PolarHBondContact O-N 3.45Å; T99-K103 HydrophobicContact CG2-CD 4.3Å; T99-K103 WeakPolarHBondContact O-CG 3.13Å; T99-K103 PolarHBondContact O-N 2.88Å; T99-D169 WeakPolarHBondContact CG2-OD1 3.15Å
100V92.5Very high90.1Very high114 Ų11451.8 Ų51.869%0.69128%0.283SS*.Hα-helixtrans-61.6-47.1-179.5178.70000110.5C102 K103 V104V100-C102 VanDerWaalsContact C-N 3.33Å; V100-C102 PolarHBondContact O-N 3.37Å; V100-K103 PolarHBondContact O-N 3.44Å; V100-V104 HydrophobicContact CG1-CG2 4.3Å; V100-V104 WeakPolarHBondContact O-CB 3.39Å; V100-V104 WeakPolarHBondContact O-CG2 3.45Å; V100-V104 PolarHBondContact O-N 3.37Å
101M91.8Very high90.5Very high71 Ų7150.3 Ų50.335%0.3528%0.276SS..Hα-helixtrans-64.7-38.6178.9-167.760.677.100111.5W95 M97 T99 L105W95-M101 HydrophobicContact CZ2-CB 4.2Å; W95-M101 HydrophobicContact CZ2-CG 4.14Å; M97-M101 HydrophobicContact CB-CB 3.9Å; M97-M101 HydrophobicContact CB-CG 3.85Å; M97-M101 VanDerWaalsContact O-CB 3.27Å; M97-M101 WeakPolarHBondContact O-CB 3.38Å; M97-M101 HydrophobicContact SD-CG 4.27Å; T99-M101 PolarHBondContact O-N 2.95Å; M101-L105 HydrophobicContact CG-CD1 3.6Å; M101-L105 HydrophobicContact CG-CG 4.13Å; M101-L105 VanDerWaalsContact O-CB 3.29Å; M101-L105 WeakPolarHBondContact O-CB 3.31Å; M101-L105 VanDerWaalsContact O-CG 3.25Å; M101-L105 WeakPolarHBondContact O-CG 3.33Å; M101-L105 PolarHBondContact O-N 2.86Å; M101-L105 HydrophobicContact SD-CD1 3.91Å; M101-L105 HydrophobicContact SD-CD2 4.4Å; M101-L105 HydrophobicContact SD-CG 3.91Å
102C92.9Very high91Very high0 Ų047.5 Ų47.50%025%0.252CS..Hα-helixtrans-57.3-51.2173.8165.10000111.2W95 G98 T99 V100 F106 A170 C181W95-C102 VanDerWaalsContact CZ2-CA 3.46Å; W95-C102 HydrophobicContact CZ2-CB 3.86Å; G98-C102 PolarHBondContact O-N 2.96Å; T99-C102 WeakPolarHBondContact O-CB 3.33Å; T99-C102 PolarHBondContact O-N 3.45Å; V100-C102 VanDerWaalsContact C-N 3.33Å; V100-C102 PolarHBondContact O-N 3.37Å; C102-F106 WeakPolarHBondContact O-CD2 3.02Å; C102-F106 PolarHBondContact O-N 3.45Å; C102-A170 HydrophobicContact CB-CB 4.07Å; C102-C181 VanDerWaalsContact CA-SG 3.52Å; C102-C181 HydrophobicContact CB-CB 3.81Å; C102-C181 WeakPolarHBondContact CB-SG 3.38Å; C102-C181 WeakPolarHBondContact SG-CB 3.5Å; C102-C181 CovalentContact SG-SG 2.01Å; C102-C181 PolarHBondContact SG-SG 3.31Å
103K93.8Very high91.5Very high67 Ų6742 Ų4229%0.29123%0.225SC..Hα-helixtrans-61.5-50.7178.8-73.7-177.4170.5-168.50112.1T99 V100 Y107 L165 R168T99-K103 HydrophobicContact CG2-CD 4.3Å; T99-K103 WeakPolarHBondContact O-CG 3.13Å; T99-K103 PolarHBondContact O-N 2.88Å; V100-K103 PolarHBondContact O-N 3.44Å; K103-Y107 WeakPolarHBondContact O-CB 3.48Å; K103-Y107 PolarHBondContact O-N 2.86Å; K103-L165 HydrophobicContact CB-CD2 3.9Å; K103-L165 WeakPolarHBondContact CD-O 3.2Å; K103-L165 WeakPolarHBondContact CE-O 3.16Å; K103-R168 WeakPolarHBondContact CE-O 3.36Å; K103-R168 WeakPolarHBondContact CG-O 3.39Å
104V93.9Very high92.2Very high59 Ų5940.2 Ų40.236%0.35822%0.216SC..Hα-helixtrans-64.4-44-176.1172.10000111.9V100 Y107 L108V100-V104 HydrophobicContact CG1-CG2 4.3Å; V100-V104 WeakPolarHBondContact O-CB 3.39Å; V100-V104 WeakPolarHBondContact O-CG2 3.45Å; V100-V104 PolarHBondContact O-N 3.37Å; V104-Y107 PolarHBondContact O-N 3.08Å; V104-L108 HydrophobicContact CG1-CD1 3.93Å; V104-L108 HydrophobicContact CG1-CG 4.36Å; V104-L108 WeakPolarHBondContact O-CG 3.44Å; V104-L108 PolarHBondContact O-N 3.39Å
105L93.4Very high92.7Very high2 Ų238.7 Ų38.71%0.0121%0.208CC..Hα-helixtrans-64.3-47.8-178.1-74171.4000111.9L82 F85 F86 W95 M101 Y107 L108 C109L82-L105 HydrophobicContact CB-CD2 3.91Å; L82-L105 HydrophobicContact CD1-CD2 4.05Å; L82-L105 HydrophobicContact CD2-CD2 3.68Å; L82-L105 HydrophobicContact CG-CD2 4.05Å; F85-L105 HydrophobicContact CB-CD1 3.69Å; F85-L105 HydrophobicContact CB-CD2 4.43Å; F85-L105 HydrophobicContact CD2-CD2 4.02Å; F85-L105 HydrophobicContact CG-CD1 4.07Å; F85-L105 HydrophobicContact CG-CD2 4.37Å; F86-L105 HydrophobicContact CZ-CB 4.06Å; W95-L105 HydrophobicContact CH2-CD1 3.55Å; W95-L105 HydrophobicContact CZ2-CD1 4.11Å; M101-L105 HydrophobicContact CG-CD1 3.6Å; M101-L105 HydrophobicContact CG-CG 4.13Å; M101-L105 VanDerWaalsContact O-CB 3.29Å; M101-L105 WeakPolarHBondContact O-CB 3.31Å; M101-L105 VanDerWaalsContact O-CG 3.25Å; M101-L105 WeakPolarHBondContact O-CG 3.33Å; M101-L105 PolarHBondContact O-N 2.86Å; M101-L105 HydrophobicContact SD-CD1 3.91Å; M101-L105 HydrophobicContact SD-CD2 4.4Å; M101-L105 HydrophobicContact SD-CG 3.91Å; L105-Y107 VanDerWaalsContact C-N 3.34Å; L105-Y107 PolarHBondContact O-N 3.01Å; L105-L108 PolarHBondContact O-N 3.07Å; L105-C109 PolarHBondContact O-N 3.49Å; L105-C109 PolarHBondContact O-SG 3.38Å
106F92.6Very high93.2Very high42 Ų4238.5 Ų38.518%0.18421%0.207CC..Hα-helixtrans-69.7-32.1178.8-80.5-83.3000112.7F86 C102 C109 L110 R168 C181F86-F106 HydrophobicContact CD1-CZ 4.47Å; F86-F106 HydrophobicContact CE1-CD2 4.41Å; F86-F106 HydrophobicContact CE1-CE1 4.05Å; F86-F106 AromaticContact CE1-CE2 3.85Å; F86-F106 HydrophobicContact CE1-CE2 3.85Å; F86-F106 AromaticContact CE1-CZ 3.67Å; F86-F106 HydrophobicContact CE1-CZ 3.67Å; C102-F106 WeakPolarHBondContact O-CD2 3.02Å; C102-F106 PolarHBondContact O-N 3.45Å; F106-C109 PolarHBondContact O-N 2.87Å; F106-L110 PolarHBondContact O-N 3Å; F106-R168 HydrophobicContact CB-CG 4.19Å; F106-R168 HydrophobicContact CD2-CG 4.44Å; F106-R168 HydrophobicContact CG-CG 4.4Å; F106-R168 VanDerWaalsContact CZ-NH2 3.27Å; F106-C181 WeakPolarHBondContact CD2-SG 3.44Å; F106-C181 HydrophobicContact CE2-CB 4.18Å; F106-C181 WeakPolarHBondContact CE2-SG 3.44Å
107Y94.9Very high93.6Very high27 Ų2731.2 Ų31.211%0.10618%0.175CC..Hα-helixtrans-60.7-47.9170.1172-97000111.9K103 V104 L105 C109 L110 A111 M158 S161 L165K103-Y107 WeakPolarHBondContact O-CB 3.48Å; K103-Y107 PolarHBondContact O-N 2.86Å; V104-Y107 PolarHBondContact O-N 3.08Å; L105-Y107 VanDerWaalsContact C-N 3.34Å; L105-Y107 PolarHBondContact O-N 3.01Å; Y107-C109 VanDerWaalsContact C-N 3.33Å; Y107-C109 PolarHBondContact O-N 3.33Å; Y107-L110 PolarHBondContact O-N 2.98Å; Y107-A111 WeakPolarHBondContact O-CB 3.48Å; Y107-A111 PolarHBondContact O-N 2.62Å; Y107-M158 HydrophobicContact CE1-CE 3.81Å; Y107-M158 HydrophobicContact CE1-SD 4.07Å; Y107-M158 WeakPolarHBondContact OH-CA 3.06Å; Y107-M158 WeakPolarHBondContact OH-CB 3.26Å; Y107-M158 VanDerWaalsContact OH-CE 3.26Å; Y107-M158 WeakPolarHBondContact OH-CE 3.34Å; Y107-M158 PolarHBondContact OH-O 3.36Å; Y107-M158 PolarHBondContact OH-SD 3.21Å; Y107-M158 VanDerWaalsContact OH-SD 3.36Å; Y107-S161 VanDerWaalsContact CD2-O 3.28Å; Y107-S161 WeakPolarHBondContact CD2-O 3.45Å; Y107-L165 HydrophobicContact CD2-CD1 3.56Å; Y107-L165 HydrophobicContact CD2-CD2 4.14Å; Y107-L165 HydrophobicContact CD2-CG 3.45Å; Y107-L165 VanDerWaalsContact CD2-CG 3.45Å; Y107-L165 HydrophobicContact CE2-CD1 3.74Å; Y107-L165 HydrophobicContact CE2-CG 4.15Å; Y107-L165 HydrophobicContact CG-CD1 3.96Å; Y107-L165 HydrophobicContact CG-CD2 3.88Å; Y107-L165 HydrophobicContact CG-CG 3.73Å
108L95Very high94Very high67 Ų6729.9 Ų29.935%0.35117%0.168SC..Hα-helixtrans-67.1-32.9177.9-69.1175.2000112.4L82 V104 L105 N112L82-L108 HydrophobicContact CD1-CB 3.46Å; L82-L108 VanDerWaalsContact CD1-CB 3.46Å; L82-L108 HydrophobicContact CD1-CD1 3.75Å; L82-L108 HydrophobicContact CD1-CG 4.26Å; L82-L108 HydrophobicContact CD2-CD1 4.3Å; V104-L108 HydrophobicContact CG1-CD1 3.93Å; V104-L108 HydrophobicContact CG1-CG 4.36Å; V104-L108 WeakPolarHBondContact O-CG 3.44Å; V104-L108 PolarHBondContact O-N 3.39Å; L105-L108 PolarHBondContact O-N 3.07Å; L108-N112 WeakPolarHBondContact O-CB 3.42Å; L108-N112 PolarHBondContact O-N 3.37Å
109C94Very high94.2Very high16 Ų1628 Ų2811%0.10815%0.15CC..Hα-helixtrans-62.4-45.2171.5-68.70000112.2L79 F86 L105 F106 Y107 N112 M113L79-C109 HydrophobicContact CD1-CB 4.19Å; L79-C109 WeakPolarHBondContact CD1-SG 3.29Å; F86-C109 VanDerWaalsContact CE2-SG 3.54Å; F86-C109 WeakPolarHBondContact CZ-SG 3.45Å; L105-C109 PolarHBondContact O-N 3.49Å; L105-C109 PolarHBondContact O-SG 3.38Å; F106-C109 PolarHBondContact O-N 2.87Å; Y107-C109 VanDerWaalsContact C-N 3.33Å; Y107-C109 PolarHBondContact O-N 3.33Å; C109-N112 PolarHBondContact O-N 2.91Å; C109-M113 PolarHBondContact O-N 2.93Å
110L93.9Very high94.3Very high12 Ų1225.5 Ų25.56%0.06313%0.134CC..Hα-helixtrans-67.7-41.5177.9-175.861.7000111.4F106 Y107 N112 M113 Y114 A164 E198F106-L110 PolarHBondContact O-N 3Å; Y107-L110 PolarHBondContact O-N 2.98Å; L110-N112 VanDerWaalsContact C-N 3.31Å; L110-N112 PolarHBondContact O-N 3.34Å; L110-M113 HydrophobicContact CD1-CE 3.48Å; L110-M113 VanDerWaalsContact CD1-CE 3.48Å; L110-M113 HydrophobicContact CD1-SD 4.28Å; L110-M113 WeakPolarHBondContact O-CB 3.08Å; L110-M113 PolarHBondContact O-N 3.2Å; L110-Y114 HydrophobicContact CD1-CD2 4.38Å; L110-Y114 HydrophobicContact CD1-CE1 4.48Å; L110-Y114 HydrophobicContact CD1-CE2 3.82Å; L110-Y114 HydrophobicContact CD2-CE2 3.99Å; L110-Y114 HydrophobicContact CG-CD2 4.1Å; L110-Y114 HydrophobicContact CG-CE2 3.63Å; L110-Y114 PolarHBondContact O-N 3.1Å; L110-A164 HydrophobicContact CB-CB 4.39Å; L110-A164 HydrophobicContact CD2-CB 3.66Å; L110-E198 HydrophobicContact CD1-CG 3.99Å
111A95.7Very high94.4Very high6 Ų621.1 Ų21.15%0.0511%0.106CC..Hα-helixtrans-60.3-4117400000111.6Y107 Y114 A115 V157 M158 S161Y107-A111 WeakPolarHBondContact O-CB 3.48Å; Y107-A111 PolarHBondContact O-N 2.62Å; A111-Y114 PolarHBondContact O-N 2.95Å; A111-A115 VanDerWaalsContact O-CB 3.25Å; A111-A115 WeakPolarHBondContact O-CB 3.24Å; A111-A115 PolarHBondContact O-N 2.88Å; A111-V157 HydrophobicContact CB-CG1 4.08Å; A111-V157 WeakPolarHBondContact O-CG1 3.44Å; A111-M158 HydrophobicContact CB-SD 4.34Å; A111-S161 VanDerWaalsContact CA-OG 3.22Å; A111-S161 WeakPolarHBondContact CA-OG 3.25Å; A111-S161 PolarHBondContact N-OG 2.83Å
112N95.3Very high94.5Very high8 Ų819.2 Ų19.24%0.04310%0.097CC..Hα-helixtrans-60.9-47.3174179.877.9000111.9A75 D76 L79 L108 C109 L110 Y114 A115 S116A75-N112 PolarHBondContact O-OD1 3.06Å; D76-N112 PolarHBondContact N-OD1 3.43Å; L79-N112 HydrophobicContact CB-CB 4.15Å; L79-N112 VanDerWaalsContact CD2-ND2 3.32Å; L79-N112 WeakPolarHBondContact CD2-ND2 3.4Å; L108-N112 WeakPolarHBondContact O-CB 3.42Å; L108-N112 PolarHBondContact O-N 3.37Å; C109-N112 PolarHBondContact O-N 2.91Å; L110-N112 VanDerWaalsContact C-N 3.31Å; L110-N112 PolarHBondContact O-N 3.34Å; N112-Y114 VanDerWaalsContact C-N 3.34Å; N112-Y114 PolarHBondContact O-N 3.14Å; N112-A115 PolarHBondContact O-N 2.93Å; N112-S116 WeakPolarHBondContact O-CB 3.36Å; N112-S116 PolarHBondContact O-N 3.28Å; N112-S116 PolarHBondContact O-OG 3.5Å
113M94.4Very high94.4Very high2 Ų219.4 Ų19.41%0.0110%0.098CC..Hα-helixtrans-52.9-52.9177.1-178.9-170.782.300111.1C109 L110 S116 I117 W247 Y250C109-M113 PolarHBondContact O-N 2.93Å; L110-M113 HydrophobicContact CD1-CE 3.48Å; L110-M113 VanDerWaalsContact CD1-CE 3.48Å; L110-M113 HydrophobicContact CD1-SD 4.28Å; L110-M113 WeakPolarHBondContact O-CB 3.08Å; L110-M113 PolarHBondContact O-N 3.2Å; M113-S116 PolarHBondContact O-N 3.45Å; M113-I117 WeakPolarHBondContact O-CG2 3.31Å; M113-I117 PolarHBondContact O-N 2.85Å; M113-I117 VanDerWaalsContact O-N 3.11Å; M113-W247 HydrophobicContact CB-CH2 3.43Å; M113-W247 VanDerWaalsContact CB-CH2 3.43Å; M113-W247 HydrophobicContact CB-CZ2 3.89Å; M113-W247 HydrophobicContact CB-CZ3 3.86Å; M113-W247 HydrophobicContact CG-CD2 4.12Å; M113-W247 HydrophobicContact CG-CE3 3.68Å; M113-W247 HydrophobicContact CG-CH2 3.38Å; M113-W247 HydrophobicContact CG-CZ2 3.81Å; M113-W247 HydrophobicContact CG-CZ3 3.31Å; M113-W247 HydrophobicContact SD-CE3 3.64Å; M113-W247 HydrophobicContact SD-CH2 3.88Å; M113-W247 HydrophobicContact SD-CZ3 3.22Å; M113-W247 WeakPolarHBondContact SD-CZ3 3.44Å; M113-Y250 HydrophobicContact SD-CE1 4.17Å
114Y95.6Very high94.2Very high4 Ų416.2 Ų16.22%0.0168%0.084CC..Hα-helixtrans-65.3-43.7179.5-67.7-40.8000112.4L110 A111 N112 S116 I117 Q118 A160 S161 L197 E198 L201L110-Y114 HydrophobicContact CD1-CD2 4.38Å; L110-Y114 HydrophobicContact CD1-CE1 4.48Å; L110-Y114 HydrophobicContact CD1-CE2 3.82Å; L110-Y114 HydrophobicContact CD2-CE2 3.99Å; L110-Y114 HydrophobicContact CG-CD2 4.1Å; L110-Y114 HydrophobicContact CG-CE2 3.63Å; L110-Y114 PolarHBondContact O-N 3.1Å; A111-Y114 PolarHBondContact O-N 2.95Å; N112-Y114 VanDerWaalsContact C-N 3.34Å; N112-Y114 PolarHBondContact O-N 3.14Å; Y114-S116 PolarHBondContact O-N 3.38Å; Y114-I117 WeakPolarHBondContact O-CG2 3.11Å; Y114-Q118 VanDerWaalsContact O-CB 3.26Å; Y114-Q118 WeakPolarHBondContact O-CB 3.28Å; Y114-Q118 WeakPolarHBondContact O-CG 3.36Å; Y114-Q118 PolarHBondContact O-N 3.42Å; Y114-A160 HydrophobicContact CD2-CB 4.07Å; Y114-A160 HydrophobicContact CE2-CB 3.89Å; Y114-S161 WeakPolarHBondContact CD2-OG 3.32Å; Y114-L197 VanDerWaalsContact OH-CD2 3.25Å; Y114-L197 WeakPolarHBondContact OH-CD2 3.45Å; Y114-E198 VanDerWaalsContact OH-CA 3.26Å; Y114-E198 WeakPolarHBondContact OH-CA 3.39Å; Y114-E198 WeakPolarHBondContact OH-CG 3.36Å; Y114-L201 HydrophobicContact CD1-CB 4.41Å; Y114-L201 HydrophobicContact CE1-CB 3.93Å
115A96.5Very high94.1Very high0 Ų016.4 Ų16.40%08%0.083CC..Hα-helixtrans-57.9-49.5177.200000110.8A75 A111 N112 Q118 L119 W154 V157A75-A115 HydrophobicContact CB-CB 4.06Å; A111-A115 VanDerWaalsContact O-CB 3.25Å; A111-A115 WeakPolarHBondContact O-CB 3.24Å; A111-A115 PolarHBondContact O-N 2.88Å; N112-A115 PolarHBondContact O-N 2.93Å; A115-Q118 PolarHBondContact O-N 2.84Å; A115-L119 VanDerWaalsContact O-CB 3.27Å; A115-L119 WeakPolarHBondContact O-CB 3.48Å; A115-L119 WeakPolarHBondContact O-CD1 3.45Å; A115-L119 WeakPolarHBondContact O-CG 3.24Å; A115-L119 PolarHBondContact O-N 2.89Å; A115-W154 HydrophobicContact CB-CH2 4.12Å; A115-W154 HydrophobicContact CB-CZ3 4.11Å; A115-V157 HydrophobicContact CB-CG1 4.15Å; A115-V157 HydrophobicContact CB-CG2 4.48Å
116S95.6Very high93.8Very high0 Ų017.9 Ų17.90%09%0.088CC..Hα-helixtrans-62.5-48.2-177.1-66.70000111.9L72 D76 N112 M113 Y114 L119 I120L72-S116 WeakPolarHBondContact CD1-OG 3.42Å; D76-S116 PolarHBondContact OD1-OG 2.79Å; N112-S116 WeakPolarHBondContact O-CB 3.36Å; N112-S116 PolarHBondContact O-N 3.28Å; N112-S116 PolarHBondContact O-OG 3.5Å; M113-S116 PolarHBondContact O-N 3.45Å; Y114-S116 PolarHBondContact O-N 3.38Å; S116-L119 PolarHBondContact O-N 3.23Å; S116-I120 WeakPolarHBondContact O-CD1 3.21Å; S116-I120 WeakPolarHBondContact O-CG1 3.26Å; S116-I120 PolarHBondContact O-N 2.91Å
117I95.3Very high93.5Very high0 Ų017 Ų170%08%0.084CC..Hα-helixtrans-67.4-39.5179.2-17062.2000112.5M113 Y114 L119 I120 M121 P206 Y207 I210 F243M113-I117 WeakPolarHBondContact O-CG2 3.31Å; M113-I117 PolarHBondContact O-N 2.85Å; M113-I117 VanDerWaalsContact O-N 3.11Å; Y114-I117 WeakPolarHBondContact O-CG2 3.11Å; I117-L119 VanDerWaalsContact C-N 3.34Å; I117-L119 PolarHBondContact O-N 2.9Å; I117-I120 PolarHBondContact O-N 3.2Å; I117-M121 WeakPolarHBondContact O-CB 3.32Å; I117-M121 PolarHBondContact O-N 3.22Å; I117-P206 HydrophobicContact CD1-CB 3.97Å; I117-P206 HydrophobicContact CG1-CB 3.33Å; I117-P206 HydrophobicContact CG1-CG 3.74Å; I117-P206 HydrophobicContact CG2-CG 4.18Å; I117-Y207 HydrophobicContact CD1-CD2 4.36Å; I117-Y207 HydrophobicContact CD1-CE1 4.47Å; I117-Y207 HydrophobicContact CD1-CE2 3.79Å; I117-I210 HydrophobicContact CD1-CD1 4.08Å; I117-F243 HydrophobicContact CB-CD1 4.49Å; I117-F243 HydrophobicContact CB-CE1 3.62Å; I117-F243 HydrophobicContact CB-CZ 3.93Å; I117-F243 HydrophobicContact CD1-CD1 3.66Å; I117-F243 HydrophobicContact CD1-CE1 3.59Å; I117-F243 HydrophobicContact CG1-CE1 4Å
118Q95.2Very high93.1Very high36 Ų3617.2 Ų17.217%0.1689%0.087CC..Hα-helixtrans-67.6-36.6178.5-64.7-7046.200111.3Y114 A115 M121 L122 M153 V157Y114-Q118 VanDerWaalsContact O-CB 3.26Å; Y114-Q118 WeakPolarHBondContact O-CB 3.28Å; Y114-Q118 WeakPolarHBondContact O-CG 3.36Å; Y114-Q118 PolarHBondContact O-N 3.42Å; A115-Q118 PolarHBondContact O-N 2.84Å; Q118-M121 PolarHBondContact O-N 3.1Å; Q118-L122 WeakPolarHBondContact O-CB 3.42Å; Q118-L122 WeakPolarHBondContact O-CD1 3.09Å; Q118-L122 PolarHBondContact O-N 3.42Å; Q118-M153 HydrophobicContact CB-CG 3.89Å; Q118-M153 HydrophobicContact CB-SD 4.13Å; Q118-V157 HydrophobicContact CG-CG2 4.42Å
119L94.9Very high92.7Very high0 Ų015 Ų150%08%0.076CC..Hα-helixtrans-65.3-40.7172.6-73.8165.5000112L68 N71 L72 A115 S116 I117 L122 M123 L150 M153L68-L119 HydrophobicContact CD2-CD2 4.13Å; N71-L119 HydrophobicContact CB-CD1 3.93Å; N71-L119 HydrophobicContact CB-CD2 3.76Å; L72-L119 HydrophobicContact CB-CD1 4.11Å; L72-L119 HydrophobicContact CD1-CB 4.48Å; L72-L119 HydrophobicContact CD1-CD1 4.37Å; A115-L119 VanDerWaalsContact O-CB 3.27Å; A115-L119 WeakPolarHBondContact O-CB 3.48Å; A115-L119 WeakPolarHBondContact O-CD1 3.45Å; A115-L119 WeakPolarHBondContact O-CG 3.24Å; A115-L119 PolarHBondContact O-N 2.89Å; S116-L119 PolarHBondContact O-N 3.23Å; I117-L119 VanDerWaalsContact C-N 3.34Å; I117-L119 PolarHBondContact O-N 2.9Å; L119-L122 PolarHBondContact O-N 3.23Å; L119-M123 HydrophobicContact CB-CE 4.49Å; L119-M123 WeakPolarHBondContact O-CB 3.07Å; L119-M123 WeakPolarHBondContact O-CG 3.33Å; L119-M123 PolarHBondContact O-N 2.92Å; L119-L150 HydrophobicContact CD2-CD2 3.72Å; L119-M153 HydrophobicContact CD1-CE 4.39Å; L119-M153 HydrophobicContact CD2-CE 3.51Å; L119-M153 HydrophobicContact CG-CE 3.75Å
120I93.4Very high92.2Very high2 Ų215 Ų151%0.018%0.076CC..Hα-helixtrans-63.7-41.4174.2-67.9165.9000111.2L72 S116 I117 M123 S124 I210 I239 V240 F243L72-I120 HydrophobicContact CD2-CG1 4.43Å; S116-I120 WeakPolarHBondContact O-CD1 3.21Å; S116-I120 WeakPolarHBondContact O-CG1 3.26Å; S116-I120 PolarHBondContact O-N 2.91Å; I117-I120 PolarHBondContact O-N 3.2Å; I120-M123 HydrophobicContact CG1-CE 4.14Å; I120-M123 PolarHBondContact O-N 2.91Å; I120-S124 PolarHBondContact O-N 3.41Å; I120-S124 PolarHBondContact O-OG 2.95Å; I120-I210 HydrophobicContact CG2-CD1 3.93Å; I120-I239 HydrophobicContact CD1-CG2 3.97Å; I120-I239 HydrophobicContact CG1-CG2 4.01Å; I120-V240 HydrophobicContact CG2-CG2 3.53Å; I120-F243 HydrophobicContact CD1-CB 3.85Å; I120-F243 HydrophobicContact CD1-CD1 4.1Å; I120-F243 HydrophobicContact CD1-CD2 3.62Å; I120-F243 HydrophobicContact CD1-CE2 4.19Å; I120-F243 HydrophobicContact CD1-CG 3.58Å
121M94.8Very high91.5Very high23 Ų2316.3 Ų16.311%0.1138%0.084CC..Hα-helixtrans-62-48.4173.7-177.4-173.267.800111.2I117 Q118 M123 S124 I125 P206 V209 I210I117-M121 WeakPolarHBondContact O-CB 3.32Å; I117-M121 PolarHBondContact O-N 3.22Å; Q118-M121 PolarHBondContact O-N 3.1Å; M121-M123 VanDerWaalsContact C-N 3.32Å; M121-M123 PolarHBondContact O-N 3.46Å; M121-S124 WeakPolarHBondContact O-CB 3.41Å; M121-S124 PolarHBondContact O-N 3.07Å; M121-S124 VanDerWaalsContact O-N 3.08Å; M121-I125 HydrophobicContact CG-CD1 4.03Å; M121-I125 WeakPolarHBondContact O-CG1 3.45Å; M121-I125 PolarHBondContact O-N 3.47Å; M121-P206 HydrophobicContact CB-CB 4.36Å; M121-P206 HydrophobicContact SD-CB 4.24Å; M121-V209 HydrophobicContact CG-CB 4Å; M121-V209 HydrophobicContact CG-CG1 3.74Å; M121-V209 HydrophobicContact SD-CB 3.87Å; M121-V209 HydrophobicContact SD-CG1 3.97Å; M121-V209 HydrophobicContact SD-CG2 4.09Å; M121-I210 HydrophobicContact CB-CD1 4.25Å; M121-I210 HydrophobicContact CB-CG1 4.15Å; M121-I210 HydrophobicContact CG-CG1 4.35Å
122L93.7Very high90.9Very high30 Ų3017.5 Ų17.516%0.1579%0.091CC..Hα-helixtrans-59.1-41.2175.8-99.661.7000112.1L68 Q118 L119 S124 I125 Y126 V149 L150L68-L122 HydrophobicContact CD1-CB 4.49Å; L68-L122 HydrophobicContact CD2-CB 4.16Å; L68-L122 HydrophobicContact CD2-CD2 4.18Å; Q118-L122 WeakPolarHBondContact O-CB 3.42Å; Q118-L122 WeakPolarHBondContact O-CD1 3.09Å; Q118-L122 PolarHBondContact O-N 3.42Å; L119-L122 PolarHBondContact O-N 3.23Å; L122-S124 VanDerWaalsContact C-N 3.3Å; L122-S124 PolarHBondContact O-N 2.83Å; L122-I125 PolarHBondContact O-N 2.87Å; L122-Y126 VanDerWaalsContact O-CB 3.31Å; L122-Y126 WeakPolarHBondContact O-CB 3.34Å; L122-Y126 PolarHBondContact O-N 3.38Å; L122-V149 HydrophobicContact CD2-CG1 3.69Å; L122-V149 HydrophobicContact CG-CG1 4.38Å; L122-L150 HydrophobicContact CD2-CD2 4.49Å
123M90.2Very high90.2Very high5 Ų523.8 Ų23.83%0.02511%0.114CC..Hα-helixtrans-60.3-41.1174.2-78.9-171.1-92.500111.7L68 I69 L72 L119 I120 M121 R127L68-M123 HydrophobicContact CB-CG 3.64Å; L68-M123 HydrophobicContact CB-SD 4.29Å; L68-M123 HydrophobicContact CD1-CB 4.33Å; L68-M123 HydrophobicContact CD1-CG 3.61Å; L68-M123 HydrophobicContact CG-CG 4.23Å; I69-M123 HydrophobicContact CG1-SD 3.84Å; L72-M123 HydrophobicContact CB-CE 4.43Å; L72-M123 HydrophobicContact CD2-CE 3.54Å; L119-M123 HydrophobicContact CB-CE 4.49Å; L119-M123 WeakPolarHBondContact O-CB 3.07Å; L119-M123 WeakPolarHBondContact O-CG 3.33Å; L119-M123 PolarHBondContact O-N 2.92Å; I120-M123 HydrophobicContact CG1-CE 4.14Å; I120-M123 PolarHBondContact O-N 2.91Å; M121-M123 VanDerWaalsContact C-N 3.32Å; M121-M123 PolarHBondContact O-N 3.46Å; M123-R127 WeakPolarHBondContact O-CG 3.38Å; M123-R127 PolarHBondContact O-N 2.85Å; M123-R127 VanDerWaalsContact O-N 3.08Å
124S90.4Very high89.2Confident0 Ų026.8 Ų26.80%013%0.133CC..Hα-helixtrans-69-43.7178.9-55.40000111.9I120 M121 L122 R127 L128I120-S124 PolarHBondContact O-N 3.41Å; I120-S124 PolarHBondContact O-OG 2.95Å; M121-S124 WeakPolarHBondContact O-CB 3.41Å; M121-S124 PolarHBondContact O-N 3.07Å; M121-S124 VanDerWaalsContact O-N 3.08Å; L122-S124 VanDerWaalsContact C-N 3.3Å; L122-S124 PolarHBondContact O-N 2.83Å; S124-R127 PolarHBondContact O-N 3.25Å; S124-L128 PolarHBondContact O-N 2.88Å
125I91.3Very high88.2Confident63 Ų6335.4 Ų35.432%0.32317%0.174SC..Hα-helixtrans-61.1-46.9173.7-65.5167.6000110.7M121 L122 R127 L128 V129 V209M121-I125 HydrophobicContact CG-CD1 4.03Å; M121-I125 WeakPolarHBondContact O-CG1 3.45Å; M121-I125 PolarHBondContact O-N 3.47Å; L122-I125 PolarHBondContact O-N 2.87Å; I125-R127 PolarHBondContact O-N 2.97Å; I125-L128 WeakPolarHBondContact O-CB 3.43Å; I125-L128 PolarHBondContact O-N 3.39Å; I125-L128 VanDerWaalsContact O-N 3.1Å; I125-V129 HydrophobicContact CG2-CG2 4.32Å; I125-V129 WeakPolarHBondContact O-CG2 3.33Å; I125-V129 PolarHBondContact O-N 2.99Å; I125-V209 HydrophobicContact CD1-CG1 3.85Å; I125-V209 HydrophobicContact CG1-CG1 3.83Å
126Y88.1Confident87Confident32 Ų3243.7 Ų43.713%0.12521%0.205CC..Hα-helixtrans-57.9-40.7178.5171.8-109000111.5V64 T65 L122 V129 S130 I137 T141V64-Y126 HydrophobicContact CB-CD2 4.28Å; V64-Y126 HydrophobicContact CB-CE1 4.25Å; V64-Y126 HydrophobicContact CB-CE2 3.8Å; V64-Y126 HydrophobicContact CG1-CD2 3.84Å; V64-Y126 HydrophobicContact CG1-CE2 3.88Å; V64-Y126 HydrophobicContact CG1-CG 4.17Å; V64-Y126 HydrophobicContact CG2-CE2 4.1Å; T65-Y126 WeakPolarHBondContact OG1-CE1 3.45Å; L122-Y126 VanDerWaalsContact O-CB 3.31Å; L122-Y126 WeakPolarHBondContact O-CB 3.34Å; L122-Y126 PolarHBondContact O-N 3.38Å; Y126-V129 PolarHBondContact O-N 3.33Å; Y126-S130 WeakPolarHBondContact O-CB 3.43Å; Y126-S130 PolarHBondContact O-N 3.4Å; Y126-I137 HydrophobicContact CD2-CD1 4.27Å; Y126-I137 HydrophobicContact CE2-CD1 3.91Å; Y126-I137 HydrophobicContact CE2-CG1 4.35Å; Y126-T141 HydrophobicContact CD2-CG2 3.74Å; Y126-T141 HydrophobicContact CE2-CG2 3.63Å
127R86.1Confident86Confident24 Ų2444.9 Ų44.99%0.09121%0.211CC..Hα-helixtrans-64.3-44.6174.2-73.5-63.7179.6-158.6-5.6112.8M123 S124 I125 V129 S130 V131 I217 I236 T322M123-R127 WeakPolarHBondContact O-CG 3.38Å; M123-R127 PolarHBondContact O-N 2.85Å; M123-R127 VanDerWaalsContact O-N 3.08Å; S124-R127 PolarHBondContact O-N 3.25Å; I125-R127 PolarHBondContact O-N 2.97Å; R127-V129 VanDerWaalsContact C-N 3.35Å; R127-V129 PolarHBondContact O-N 3.44Å; R127-S130 PolarHBondContact O-N 3.23Å; R127-V131 WeakPolarHBondContact O-CG2 3.41Å; R127-V131 PolarHBondContact O-N 2.96Å; R127-I217 HydrophobicContact CB-CD1 4.14Å; R127-I236 HydrophobicContact CG-CD1 3.44Å; R127-I236 VanDerWaalsContact CG-CD1 3.44Å; R127-T322 PolarHBondContact NH2-OG1 3.48Å
128L86.8Confident84.7Confident32 Ų3249.8 Ų49.817%0.16825%0.246CC..Hα-helixtrans-55.2-51.7175.617367.5000111S124 I125 S130 V131 V132 C216 I217S124-L128 PolarHBondContact O-N 2.88Å; I125-L128 WeakPolarHBondContact O-CB 3.43Å; I125-L128 PolarHBondContact O-N 3.39Å; I125-L128 VanDerWaalsContact O-N 3.1Å; L128-S130 VanDerWaalsContact C-N 3.3Å; L128-S130 PolarHBondContact O-N 3.41Å; L128-V131 PolarHBondContact O-N 2.97Å; L128-V131 VanDerWaalsContact O-N 3.16Å; L128-V132 HydrophobicContact CD1-CG2 3.61Å; L128-V132 HydrophobicContact CG-CG2 4.39Å; L128-V132 WeakPolarHBondContact O-CB 3.23Å; L128-V132 WeakPolarHBondContact O-CG2 3.45Å; L128-V132 PolarHBondContact O-N 3.13Å; L128-C216 HydrophobicContact CD1-CB 3.42Å; L128-C216 VanDerWaalsContact CD1-CB 3.42Å; L128-I217 HydrophobicContact CB-CD1 4.2Å; L128-I217 HydrophobicContact CB-CG1 4.21Å; L128-I217 HydrophobicContact CD1-CG1 3.95Å
129V86.6Confident83.4Confident21 Ų2153.8 Ų53.813%0.12727%0.272CS..Hα-helixtrans-61.4-41179.9179.90000110.8I125 Y126 R127 V131 W133 I137 I140I125-V129 HydrophobicContact CG2-CG2 4.32Å; I125-V129 WeakPolarHBondContact O-CG2 3.33Å; I125-V129 PolarHBondContact O-N 2.99Å; Y126-V129 PolarHBondContact O-N 3.33Å; R127-V129 VanDerWaalsContact C-N 3.35Å; R127-V129 PolarHBondContact O-N 3.44Å; V129-V131 VanDerWaalsContact C-N 3.3Å; V129-V131 PolarHBondContact O-N 3.43Å; V129-W133 HydrophobicContact CG1-CE3 4.33Å; V129-W133 HydrophobicContact CG2-CE3 4.44Å; V129-W133 CarbonylContact O-C 3.58Å; V129-W133 WeakPolarHBondContact O-CA 2.96Å; V129-W133 PolarHBondContact O-N 2.93Å; V129-I137 HydrophobicContact CB-CD1 4.11Å; V129-I137 HydrophobicContact CG1-CD1 3.61Å; V129-I140 HydrophobicContact CG1-CD1 4.22Å; V129-I140 HydrophobicContact CG1-CG2 4.49Å
130S82.5Confident82.1Confident15 Ų1557.2 Ų57.211%0.10529%0.29CS..Hα-helixtrans-64.6-30.2177.9-179.70000113.8Y126 R127 L128Y126-S130 WeakPolarHBondContact O-CB 3.43Å; Y126-S130 PolarHBondContact O-N 3.4Å; R127-S130 PolarHBondContact O-N 3.23Å; L128-S130 VanDerWaalsContact C-N 3.3Å; L128-S130 PolarHBondContact O-N 3.41Å
131V80.2Confident81.1Confident39 Ų3958.4 Ų58.424%0.23630%0.297CS..Hα-helixtrans-88.4-39.6-178.7171.70000111.4R127 L128 V129 R220 I221R127-V131 WeakPolarHBondContact O-CG2 3.41Å; R127-V131 PolarHBondContact O-N 2.96Å; L128-V131 PolarHBondContact O-N 2.97Å; L128-V131 VanDerWaalsContact O-N 3.16Å; V129-V131 VanDerWaalsContact C-N 3.3Å; V129-V131 PolarHBondContact O-N 3.43Å; V131-R220 HydrophobicContact CG1-CB 4.18Å; V131-R220 HydrophobicContact CG1-CG 3.9Å; V131-I221 HydrophobicContact CG1-CG1 4.41Å
132V81.9Confident80.4Confident31 Ų3158.7 Ų58.719%0.18831%0.306CS..Hα-helixtrans-83.5-41.2-175.9-179.30000111.7L128 P134 R220L128-V132 HydrophobicContact CD1-CG2 3.61Å; L128-V132 HydrophobicContact CG-CG2 4.39Å; L128-V132 WeakPolarHBondContact O-CB 3.23Å; L128-V132 WeakPolarHBondContact O-CG2 3.45Å; L128-V132 PolarHBondContact O-N 3.13Å; V132-P134 VanDerWaalsContact C-CD 3.48Å; V132-P134 WeakPolarHBondContact O-CD 3.21Å; V132-R220 HydrophobicContact CG2-CG 4.43Å
133W80.4Confident79.8Confident141 Ų14164 Ų6453%0.53433%0.328SS..  trans-127.264.1-175.1-59.7-67.6000113.4V129 Q135 R136 I137V129-W133 HydrophobicContact CG1-CE3 4.33Å; V129-W133 HydrophobicContact CG2-CE3 4.44Å; V129-W133 CarbonylContact O-C 3.58Å; V129-W133 WeakPolarHBondContact O-CA 2.96Å; V129-W133 PolarHBondContact O-N 2.93Å; W133-Q135 PolarHBondContact O-N 3.32Å; W133-Q135 VanDerWaalsContact O-N 3.14Å; W133-R136 HydrophobicContact CB-CB 4.23Å; W133-R136 PolarHBondContact O-N 2.99Å; W133-R136 VanDerWaalsContact O-N 3.14Å; W133-I137 PolarHBondContact O-N 2.99Å
134P74.9Confident79.5Confident64 Ų6473 Ų7342%0.41636%0.361SS..THydrogen-bonded Turntrans-61.6-25.7-177.425.6-35.2000114V132 I137V132-P134 VanDerWaalsContact C-CD 3.48Å; V132-P134 WeakPolarHBondContact O-CD 3.21Å; P134-I137 WeakPolarHBondContact O-CG2 3.48Å
135Q72.9Confident79.4Confident185 Ų18577.5 Ų77.586%0.86438%0.384SS*.THydrogen-bonded Turntrans-79.3-28.2178.9-67.8176.3-19.500113.2W133W133-Q135 PolarHBondContact O-N 3.32Å; W133-Q135 VanDerWaalsContact O-N 3.14Å
136R71.1Confident79.3Confident174 Ų17475.4 Ų75.466%0.65737%0.373SS*.THydrogen-bonded Turntrans-91.4-11.6-178.9-65.6-83.2-174.2154-0.8112.7W133 S138 V139 I140W133-R136 HydrophobicContact CB-CB 4.23Å; W133-R136 PolarHBondContact O-N 2.99Å; W133-R136 VanDerWaalsContact O-N 3.14Å; R136-S138 VanDerWaalsContact C-N 3.28Å; R136-S138 PolarHBondContact O-N 3.42Å; R136-V139 PolarHBondContact O-N 2.86Å; R136-V139 VanDerWaalsContact O-N 3.09Å; R136-I140 HydrophobicContact CB-CD1 3.7Å; R136-I140 HydrophobicContact CB-CG1 4.4Å; R136-I140 WeakPolarHBondContact O-CG1 3.32Å; R136-I140 PolarHBondContact O-N 3.22Å
137I75.6Confident79.4Confident25 Ų2578.7 Ų78.713%0.12839%0.391CS..Hα-helixtrans-57.5-37.8-174-163.668.4000113.2Y126 V129 W133 P134 V139 I140 T141Y126-I137 HydrophobicContact CD2-CD1 4.27Å; Y126-I137 HydrophobicContact CE2-CD1 3.91Å; Y126-I137 HydrophobicContact CE2-CG1 4.35Å; V129-I137 HydrophobicContact CB-CD1 4.11Å; V129-I137 HydrophobicContact CG1-CD1 3.61Å; W133-I137 PolarHBondContact O-N 2.99Å; P134-I137 WeakPolarHBondContact O-CG2 3.48Å; I137-V139 VanDerWaalsContact C-N 3.26Å; I137-V139 PolarHBondContact O-N 2.79Å; I137-I140 PolarHBondContact O-N 2.75Å; I137-T141 WeakPolarHBondContact CD1-OG1 3.02Å; I137-T141 WeakPolarHBondContact CG1-OG1 3.49Å; I137-T141 WeakPolarHBondContact O-CA 3.31Å; I137-T141 VanDerWaalsContact O-CB 3.23Å; I137-T141 WeakPolarHBondContact O-CB 3.15Å; I137-T141 PolarHBondContact O-N 3.36Å; I137-T141 PolarHBondContact O-OG1 2.86Å
138S68.3Low79.7Confident103 Ų10385.8 Ų85.872%0.7242%0.417SS*.Hα-helixtrans-69.1-27.9-177.8-171.10000112.5R136R136-S138 VanDerWaalsContact C-N 3.28Å; R136-S138 PolarHBondContact O-N 3.42Å
139V67.1Low80Confident120 Ų12087.2 Ų87.273%0.72743%0.428SS*.Hα-helixtrans-84.4-43.9179-177.90000110R136 I137 T141R136-V139 PolarHBondContact O-N 2.86Å; R136-V139 VanDerWaalsContact O-N 3.09Å; I137-V139 VanDerWaalsContact C-N 3.26Å; I137-V139 PolarHBondContact O-N 2.79Å; V139-T141 VanDerWaalsContact C-N 3.35Å
140I67.8Low80.4Confident73 Ų7386.5 Ų86.537%0.37442%0.423SS..Hα-helixtrans-73-27.9-178.3-62.2168.9000112V129 R136 I137V129-I140 HydrophobicContact CG1-CD1 4.22Å; V129-I140 HydrophobicContact CG1-CG2 4.49Å; R136-I140 HydrophobicContact CB-CD1 3.7Å; R136-I140 HydrophobicContact CB-CG1 4.4Å; R136-I140 WeakPolarHBondContact O-CG1 3.32Å; R136-I140 PolarHBondContact O-N 3.22Å; I137-I140 PolarHBondContact O-N 2.75Å
141T73.6Confident81Confident26 Ų2687.8 Ų87.816%0.1644%0.439CS..THydrogen-bonded Turntrans-114.434.8-171.6-200000112.9V64 Y126 I137 V139 I146V64-T141 HydrophobicContact CB-CG2 4.11Å; V64-T141 HydrophobicContact CG1-CG2 3.69Å; V64-T141 HydrophobicContact CG2-CG2 3.6Å; Y126-T141 HydrophobicContact CD2-CG2 3.74Å; Y126-T141 HydrophobicContact CE2-CG2 3.63Å; I137-T141 WeakPolarHBondContact CD1-OG1 3.02Å; I137-T141 WeakPolarHBondContact CG1-OG1 3.49Å; I137-T141 WeakPolarHBondContact O-CA 3.31Å; I137-T141 VanDerWaalsContact O-CB 3.23Å; I137-T141 WeakPolarHBondContact O-CB 3.15Å; I137-T141 PolarHBondContact O-N 3.36Å; I137-T141 PolarHBondContact O-OG1 2.86Å; V139-T141 VanDerWaalsContact C-N 3.35Å; T141-I146 HydrophobicContact CG2-CD1 3.83Å; T141-I146 HydrophobicContact CG2-CG1 3.79Å; T141-I146 WeakPolarHBondContact O-CD1 3.16Å
142G79.1Confident81.7Confident29 Ų2990 Ų9030%0.29945%0.452SS..  trans-60.1143.2172.200000111.7R144 M145 I146G142-R144 PolarHBondContact O-N 2.81Å; G142-R144 VanDerWaalsContact O-N 3.12Å; G142-M145 WeakPolarHBondContact O-CB 3.42Å; G142-M145 PolarHBondContact O-N 3.28Å; G142-I146 PolarHBondContact O-N 3.34Å; G142-I146 VanDerWaalsContact O-N 3.14Å
143K80.4Confident82.4Confident143 Ų14389.1 Ų89.162%0.62245%0.446SS*.Hα-helixtrans-49-44.4-177.3-172.5176.7-178.7179.20112.6M145 I146 M147K143-M145 PolarHBondContact O-N 2.94Å; K143-I146 PolarHBondContact O-N 3.46Å; K143-M147 VanDerWaalsContact O-CG 3.31Å; K143-M147 WeakPolarHBondContact O-CG 3.38Å; K143-M147 PolarHBondContact O-N 3.18Å
144R85.4Confident83.2Confident192 Ų19285.9 Ų85.973%0.72543%0.434SS*.Hα-helixtrans-64.4-37.8179.7-170175-74.7162.5-4.2112.7G142 R148G142-R144 PolarHBondContact O-N 2.81Å; G142-R144 VanDerWaalsContact O-N 3.12Å; R144-R148 WeakPolarHBondContact O-CG 3.23Å; R144-R148 PolarHBondContact O-N 3.47Å; R144-R148 VanDerWaalsContact O-N 3.1Å
145M87.8Confident84.2Confident96 Ų9688.3 Ų88.347%0.47344%0.443SS..Hα-helixtrans-68.6-43.4178.1-175.6164.4173.600111.3G142 K143 M147 R148 V149G142-M145 WeakPolarHBondContact O-CB 3.42Å; G142-M145 PolarHBondContact O-N 3.28Å; K143-M145 PolarHBondContact O-N 2.94Å; M145-M147 PolarHBondContact O-N 3.46Å; M145-R148 WeakPolarHBondContact O-CB 3.27Å; M145-R148 PolarHBondContact O-N 2.87Å; M145-V149 WeakPolarHBondContact O-CG2 3.41Å; M145-V149 PolarHBondContact O-N 3.24Å
146I88.6Confident85.3Confident18 Ų1884.6 Ų84.69%0.09243%0.428CS..Hα-helixtrans-62.6-43.9177.4-55154.4000110.9V64 L67 T141 G142 K143 R148 V149 L150V64-I146 HydrophobicContact CB-CD1 3.88Å; V64-I146 HydrophobicContact CG1-CD1 3.63Å; V64-I146 HydrophobicContact CG1-CG1 4.01Å; V64-I146 HydrophobicContact CG1-CG2 4.24Å; V64-I146 HydrophobicContact CG2-CD1 3.24Å; V64-I146 HydrophobicContact CG2-CG1 4.38Å; L67-I146 HydrophobicContact CD2-CG2 3.79Å; T141-I146 HydrophobicContact CG2-CD1 3.83Å; T141-I146 HydrophobicContact CG2-CG1 3.79Å; T141-I146 WeakPolarHBondContact O-CD1 3.16Å; G142-I146 PolarHBondContact O-N 3.34Å; G142-I146 VanDerWaalsContact O-N 3.14Å; K143-I146 PolarHBondContact O-N 3.46Å; I146-R148 VanDerWaalsContact C-N 3.3Å; I146-R148 PolarHBondContact O-N 3.47Å; I146-V149 PolarHBondContact O-N 3.29Å; I146-L150 HydrophobicContact CG2-CD1 3.96Å; I146-L150 HydrophobicContact CG2-CG 4.35Å; I146-L150 WeakPolarHBondContact O-CB 3.3Å; I146-L150 WeakPolarHBondContact O-CG 2.96Å; I146-L150 PolarHBondContact O-N 3.3Å
147M89.5Confident86.5Confident102 Ų10276.5 Ų76.550%0.50240%0.398SS..Hα-helixtrans-61.1-39.4177.2-69.4-60.5-63.100111.8L67 K143 M145 G151L67-M147 HydrophobicContact CD2-SD 3.86Å; K143-M147 VanDerWaalsContact O-CG 3.31Å; K143-M147 WeakPolarHBondContact O-CG 3.38Å; K143-M147 PolarHBondContact O-N 3.18Å; M145-M147 PolarHBondContact O-N 3.46Å; M147-G151 PolarHBondContact O-N 3.4Å
148R92.8Very high87.4Confident172 Ų17278.9 Ų78.965%0.64941%0.41SS*.Hα-helixtrans-63.6-47.7173.2-73.2176-174.1168.5-1.4111.8R144 M145 I146 L150 G151 V152R144-R148 WeakPolarHBondContact O-CG 3.23Å; R144-R148 PolarHBondContact O-N 3.47Å; R144-R148 VanDerWaalsContact O-N 3.1Å; M145-R148 WeakPolarHBondContact O-CB 3.27Å; M145-R148 PolarHBondContact O-N 2.87Å; I146-R148 VanDerWaalsContact C-N 3.3Å; I146-R148 PolarHBondContact O-N 3.47Å; R148-L150 VanDerWaalsContact C-N 3.31Å; R148-L150 PolarHBondContact O-N 3.14Å; R148-G151 PolarHBondContact O-N 3.44Å; R148-V152 WeakPolarHBondContact O-CG2 3.35Å; R148-V152 PolarHBondContact O-N 3.2Å
149V93.7Very high88.7Confident63 Ų6377.8 Ų77.838%0.38240%0.398SS..Hα-helixtrans-59.4-43178.3168.50000110.9L122 M145 I146 M153L122-V149 HydrophobicContact CD2-CG1 3.69Å; L122-V149 HydrophobicContact CG-CG1 4.38Å; M145-V149 WeakPolarHBondContact O-CG2 3.41Å; M145-V149 PolarHBondContact O-N 3.24Å; I146-V149 PolarHBondContact O-N 3.29Å; V149-M153 VanDerWaalsContact O-CB 3.24Å; V149-M153 WeakPolarHBondContact O-CB 3.37Å; V149-M153 PolarHBondContact O-N 2.76Å
150L94.1Very high90Very high6 Ų673 Ų733%0.03137%0.371CS..Hα-helixtrans-64.2-44.4175.2-75.8169.9000112L67 L68 L119 L122 I146 R148 V152 M153 W154L67-L150 HydrophobicContact CD2-CD1 3.62Å; L67-L150 HydrophobicContact CG-CD1 3.86Å; L68-L150 HydrophobicContact CD2-CD2 3.99Å; L119-L150 HydrophobicContact CD2-CD2 3.72Å; L122-L150 HydrophobicContact CD2-CD2 4.49Å; I146-L150 HydrophobicContact CG2-CD1 3.96Å; I146-L150 HydrophobicContact CG2-CG 4.35Å; I146-L150 WeakPolarHBondContact O-CB 3.3Å; I146-L150 WeakPolarHBondContact O-CG 2.96Å; I146-L150 PolarHBondContact O-N 3.3Å; R148-L150 VanDerWaalsContact C-N 3.31Å; R148-L150 PolarHBondContact O-N 3.14Å; L150-V152 PolarHBondContact O-N 2.84Å; L150-M153 HydrophobicContact CD2-CE 3.72Å; L150-M153 PolarHBondContact O-N 2.95Å; L150-W154 WeakPolarHBondContact O-CB 3.48Å; L150-W154 PolarHBondContact O-N 3.46Å
151G95Very high91.2Very high42 Ų4269.5 Ų69.543%0.43335%0.353SS..Hα-helixtrans-60.1-45.4176.800000112.7M147 R148 W154 L155M147-G151 PolarHBondContact O-N 3.4Å; R148-G151 PolarHBondContact O-N 3.44Å; G151-W154 PolarHBondContact O-N 3.01Å; G151-L155 WeakPolarHBondContact O-CB 3.28Å; G151-L155 PolarHBondContact O-N 3.18Å
152V96.1Very high92.2Very high85 Ų8571.8 Ų71.852%0.51536%0.364SS..Hα-helixtrans-63.6-43.7175.3172.60000110.9R148 L150 L155 L156R148-V152 WeakPolarHBondContact O-CG2 3.35Å; R148-V152 PolarHBondContact O-N 3.2Å; L150-V152 PolarHBondContact O-N 2.84Å; V152-L155 PolarHBondContact O-N 3.42Å; V152-L156 HydrophobicContact CG1-CD1 3.88Å; V152-L156 HydrophobicContact CG1-CG 4.27Å; V152-L156 WeakPolarHBondContact O-CB 3.19Å; V152-L156 VanDerWaalsContact O-CG 3.28Å; V152-L156 WeakPolarHBondContact O-CG 3.48Å; V152-L156 PolarHBondContact O-N 2.79Å
153M95.9Very high92.7Very high12 Ų1271.7 Ų71.76%0.05936%0.358CS..Hα-helixtrans-60.8-47.3178.1179.2-82.2-63.400111.6Q118 L119 V149 L150 L155 L156 V157Q118-M153 HydrophobicContact CB-CG 3.89Å; Q118-M153 HydrophobicContact CB-SD 4.13Å; L119-M153 HydrophobicContact CD1-CE 4.39Å; L119-M153 HydrophobicContact CD2-CE 3.51Å; L119-M153 HydrophobicContact CG-CE 3.75Å; V149-M153 VanDerWaalsContact O-CB 3.24Å; V149-M153 WeakPolarHBondContact O-CB 3.37Å; V149-M153 PolarHBondContact O-N 2.76Å; L150-M153 HydrophobicContact CD2-CE 3.72Å; L150-M153 PolarHBondContact O-N 2.95Å; M153-L155 VanDerWaalsContact C-N 3.35Å; M153-L155 PolarHBondContact O-N 3.41Å; M153-L156 PolarHBondContact O-N 3.42Å; M153-V157 WeakPolarHBondContact O-CB 3.5Å; M153-V157 VanDerWaalsContact O-CG2 3.25Å; M153-V157 WeakPolarHBondContact O-CG2 3.45Å; M153-V157 PolarHBondContact O-N 2.94Å; M153-V157 HydrophobicContact SD-CG2 3.77Å
154W96.6Very high93Very high74 Ų7465.2 Ų65.228%0.2833%0.331SS..Hα-helixtrans-60.4-43.3176.1-84.6111000112N71 A75 A115 L150 G151 V157 M158N71-W154 PolarHBondContact OD1-NE1 2.89Å; A75-W154 HydrophobicContact CB-CH2 4.14Å; A115-W154 HydrophobicContact CB-CH2 4.12Å; A115-W154 HydrophobicContact CB-CZ3 4.11Å; L150-W154 WeakPolarHBondContact O-CB 3.48Å; L150-W154 PolarHBondContact O-N 3.46Å; G151-W154 PolarHBondContact O-N 3.01Å; W154-V157 PolarHBondContact O-N 3.06Å; W154-M158 VanDerWaalsContact O-CG 3.23Å; W154-M158 WeakPolarHBondContact O-CG 3.49Å; W154-M158 PolarHBondContact O-N 2.78Å
155L96.9Very high93.3Very high115 Ų11558.8 Ų58.860%0.60231%0.311SS*.Hα-helixtrans-59.7-48.2175.2179.864.3000111.4G151 V152 M153 V157 M158 V159G151-L155 WeakPolarHBondContact O-CB 3.28Å; G151-L155 PolarHBondContact O-N 3.18Å; V152-L155 PolarHBondContact O-N 3.42Å; M153-L155 VanDerWaalsContact C-N 3.35Å; M153-L155 PolarHBondContact O-N 3.41Å; L155-V157 VanDerWaalsContact C-N 3.33Å; L155-V157 PolarHBondContact O-N 3.19Å; L155-M158 PolarHBondContact O-N 3.07Å; L155-V159 HydrophobicContact CD1-CG2 4.31Å; L155-V159 WeakPolarHBondContact O-CG2 3.26Å; L155-V159 PolarHBondContact O-N 2.93Å
156L95.6Very high93.4Very high106 Ų10659.4 Ų59.456%0.55532%0.315SS*.Hα-helixtrans-60.6-41.8178.3-72.4172.2000111.9V152 M153 V159 A160V152-L156 HydrophobicContact CG1-CD1 3.88Å; V152-L156 HydrophobicContact CG1-CG 4.27Å; V152-L156 WeakPolarHBondContact O-CB 3.19Å; V152-L156 VanDerWaalsContact O-CG 3.28Å; V152-L156 WeakPolarHBondContact O-CG 3.48Å; V152-L156 PolarHBondContact O-N 2.79Å; M153-L156 PolarHBondContact O-N 3.42Å; L156-V159 PolarHBondContact O-N 3.46Å; L156-A160 WeakPolarHBondContact O-CB 3.47Å; L156-A160 PolarHBondContact O-N 3.44Å
157V95.8Very high93.4Very high4 Ų460.5 Ų60.52%0.02432%0.318CS..Hα-helixtrans-61.3-45.5176.9163.20000111.3A111 A115 Q118 M153 W154 L155 A160 S161A111-V157 HydrophobicContact CB-CG1 4.08Å; A111-V157 WeakPolarHBondContact O-CG1 3.44Å; A115-V157 HydrophobicContact CB-CG1 4.15Å; A115-V157 HydrophobicContact CB-CG2 4.48Å; Q118-V157 HydrophobicContact CG-CG2 4.42Å; M153-V157 WeakPolarHBondContact O-CB 3.5Å; M153-V157 VanDerWaalsContact O-CG2 3.25Å; M153-V157 WeakPolarHBondContact O-CG2 3.45Å; M153-V157 PolarHBondContact O-N 2.94Å; M153-V157 HydrophobicContact SD-CG2 3.77Å; W154-V157 PolarHBondContact O-N 3.06Å; L155-V157 VanDerWaalsContact C-N 3.33Å; L155-V157 PolarHBondContact O-N 3.19Å; V157-A160 PolarHBondContact O-N 3.35Å; V157-S161 WeakPolarHBondContact O-CB 3.46Å; V157-S161 PolarHBondContact O-N 2.88Å; V157-S161 VanDerWaalsContact O-N 3.12Å; V157-S161 PolarHBondContact O-OG 3.44Å
158M95.2Very high93.4Very high76 Ų7656.8 Ų56.837%0.37430%0.298SS..Hα-helixtrans-64.3-46.2179-67.7-65.1-83.600110.8Y107 A111 W154 L155 S161Y107-M158 HydrophobicContact CE1-CE 3.81Å; Y107-M158 HydrophobicContact CE1-SD 4.07Å; Y107-M158 WeakPolarHBondContact OH-CA 3.06Å; Y107-M158 WeakPolarHBondContact OH-CB 3.26Å; Y107-M158 VanDerWaalsContact OH-CE 3.26Å; Y107-M158 WeakPolarHBondContact OH-CE 3.34Å; Y107-M158 PolarHBondContact OH-O 3.36Å; Y107-M158 PolarHBondContact OH-SD 3.21Å; Y107-M158 VanDerWaalsContact OH-SD 3.36Å; A111-M158 HydrophobicContact CB-SD 4.34Å; W154-M158 VanDerWaalsContact O-CG 3.23Å; W154-M158 WeakPolarHBondContact O-CG 3.49Å; W154-M158 PolarHBondContact O-N 2.78Å; L155-M158 PolarHBondContact O-N 3.07Å; M158-S161 PolarHBondContact O-N 3.26Å
159V95.4Very high93.2Very high80 Ų8050.3 Ų50.349%0.48528%0.277SS..Hα-helixtrans-63-45.5177.6173.30000111.7L155 L156 S161 I162L155-V159 HydrophobicContact CD1-CG2 4.31Å; L155-V159 WeakPolarHBondContact O-CG2 3.26Å; L155-V159 PolarHBondContact O-N 2.93Å; L156-V159 PolarHBondContact O-N 3.46Å; V159-S161 PolarHBondContact O-N 3.43Å; V159-I162 HydrophobicContact CB-CD1 4.43Å; V159-I162 HydrophobicContact CG1-CD1 4.29Å; V159-I162 WeakPolarHBondContact O-CB 3.25Å; V159-I162 VanDerWaalsContact O-CG1 3.27Å; V159-I162 WeakPolarHBondContact O-CG1 3.41Å; V159-I162 PolarHBondContact O-N 2.89Å; V159-I162 VanDerWaalsContact O-N 3.15Å
160A93.9Very high93Very high19 Ų1948.1 Ų48.116%0.15727%0.265CS..Hα-helixtrans-64.3-20.4178.900000113.2Y114 L156 V157 P163 L201Y114-A160 HydrophobicContact CD2-CB 4.07Å; Y114-A160 HydrophobicContact CE2-CB 3.89Å; L156-A160 WeakPolarHBondContact O-CB 3.47Å; L156-A160 PolarHBondContact O-N 3.44Å; V157-A160 PolarHBondContact O-N 3.35Å; A160-P163 WeakPolarHBondContact O-CD 3.39Å; A160-L201 HydrophobicContact CB-CD1 3.96Å
161S94.3Very high92.7Very high0 Ų053 Ų530%028%0.283CS..Hα-helixtrans-86.4-11.7179.1-55.90000113.3Y107 A111 Y114 V157 M158 V159 P163 A164Y107-S161 VanDerWaalsContact CD2-O 3.28Å; Y107-S161 WeakPolarHBondContact CD2-O 3.45Å; A111-S161 VanDerWaalsContact CA-OG 3.22Å; A111-S161 WeakPolarHBondContact CA-OG 3.25Å; A111-S161 PolarHBondContact N-OG 2.83Å; Y114-S161 WeakPolarHBondContact CD2-OG 3.32Å; V157-S161 WeakPolarHBondContact O-CB 3.46Å; V157-S161 PolarHBondContact O-N 2.88Å; V157-S161 VanDerWaalsContact O-N 3.12Å; V157-S161 PolarHBondContact O-OG 3.44Å; M158-S161 PolarHBondContact O-N 3.26Å; V159-S161 PolarHBondContact O-N 3.43Å; S161-P163 VanDerWaalsContact C-N 3.34Å; S161-A164 WeakPolarHBondContact O-CB 3.34Å; S161-A164 PolarHBondContact O-N 3.01Å
162I93.1Very high92.2Very high73 Ų7355.8 Ų55.837%0.37429%0.288SS..THydrogen-bonded Turntrans-52.5-40.2-177.6-68.3171.7000113.9V159 A164 L165 I166V159-I162 HydrophobicContact CB-CD1 4.43Å; V159-I162 HydrophobicContact CG1-CD1 4.29Å; V159-I162 WeakPolarHBondContact O-CB 3.25Å; V159-I162 VanDerWaalsContact O-CG1 3.27Å; V159-I162 WeakPolarHBondContact O-CG1 3.41Å; V159-I162 PolarHBondContact O-N 2.89Å; V159-I162 VanDerWaalsContact O-N 3.15Å; I162-A164 PolarHBondContact O-N 3.25Å; I162-A164 VanDerWaalsContact O-N 3.07Å; I162-L165 WeakPolarHBondContact O-CB 3.4Å; I162-L165 PolarHBondContact O-N 3.31Å; I162-I166 HydrophobicContact CG2-CD1 3.89Å; I162-I166 HydrophobicContact CG2-CG1 4.29Å; I162-I166 PolarHBondContact O-N 3.47Å
163P89.6Confident91.5Very high28 Ų2854.2 Ų54.218%0.18228%0.276CS..Hα-helixtrans-53.4-33177.8-29.237.3000113.3A160 S161 L165 I166 Y167 Q194A160-P163 WeakPolarHBondContact O-CD 3.39Å; S161-P163 VanDerWaalsContact C-N 3.34Å; P163-L165 VanDerWaalsContact C-N 3.27Å; P163-L165 PolarHBondContact O-N 3.45Å; P163-I166 PolarHBondContact O-N 2.87Å; P163-Y167 HydrophobicContact CB-CD2 4.11Å; P163-Y167 HydrophobicContact CB-CE2 4.13Å; P163-Y167 VanDerWaalsContact O-CD2 3.22Å; P163-Y167 WeakPolarHBondContact O-CD2 3.4Å; P163-Y167 PolarHBondContact O-N 3.28Å; P163-Q194 HydrophobicContact CB-CG 4.11Å
164A88.4Confident90.5Very high7 Ų762.5 Ų62.56%0.05831%0.312CS..Hα-helixtrans-67.1-22.2175.800000113.8L110 S161 I162 R168L110-A164 HydrophobicContact CB-CB 4.39Å; L110-A164 HydrophobicContact CD2-CB 3.66Å; S161-A164 WeakPolarHBondContact O-CB 3.34Å; S161-A164 PolarHBondContact O-N 3.01Å; I162-A164 PolarHBondContact O-N 3.25Å; I162-A164 VanDerWaalsContact O-N 3.07Å; A164-R168 WeakPolarHBondContact O-CB 3.3Å
165L90.1Very high89.6Confident56 Ų5664.9 Ų64.929%0.29333%0.33SS..Hα-helixtrans-79.8-32172.2-71.2170000112.4K103 Y107 I162 P163K103-L165 HydrophobicContact CB-CD2 3.9Å; K103-L165 WeakPolarHBondContact CD-O 3.2Å; K103-L165 WeakPolarHBondContact CE-O 3.16Å; Y107-L165 HydrophobicContact CD2-CD1 3.56Å; Y107-L165 HydrophobicContact CD2-CD2 4.14Å; Y107-L165 HydrophobicContact CD2-CG 3.45Å; Y107-L165 VanDerWaalsContact CD2-CG 3.45Å; Y107-L165 HydrophobicContact CE2-CD1 3.74Å; Y107-L165 HydrophobicContact CE2-CG 4.15Å; Y107-L165 HydrophobicContact CG-CD1 3.96Å; Y107-L165 HydrophobicContact CG-CD2 3.88Å; Y107-L165 HydrophobicContact CG-CG 3.73Å; I162-L165 WeakPolarHBondContact O-CB 3.4Å; I162-L165 PolarHBondContact O-N 3.31Å; P163-L165 VanDerWaalsContact C-N 3.27Å; P163-L165 PolarHBondContact O-N 3.45Å
166I90Very high88.3Confident110 Ų11062.9 Ų62.956%0.56432%0.315SS*.Hα-helixtrans-76.2-54.3-175.5-61.7174.8000109.7I162 P163I162-I166 HydrophobicContact CG2-CD1 3.89Å; I162-I166 HydrophobicContact CG2-CG1 4.29Å; I162-I166 PolarHBondContact O-N 3.47Å; P163-I166 PolarHBondContact O-N 2.87Å
167Y89.1Confident87.7Confident41 Ų4164.1 Ų64.116%0.16132%0.322CS..SBendtrans-86.8-9.4-170.9-59.7-66.1000114P163 S183 F184 H185 D190 Q194P163-Y167 HydrophobicContact CB-CD2 4.11Å; P163-Y167 HydrophobicContact CB-CE2 4.13Å; P163-Y167 VanDerWaalsContact O-CD2 3.22Å; P163-Y167 WeakPolarHBondContact O-CD2 3.4Å; P163-Y167 PolarHBondContact O-N 3.28Å; Y167-S183 CarbonylContact O-C 3.54Å; Y167-S183 WeakPolarHBondContact O-CA 3.22Å; Y167-F184 PolarHBondContact O-N 3.42Å; Y167-H185 AromaticContact CD1-CD2 3.63Å; Y167-H185 AromaticContact CD2-NE2 3.94Å; Y167-H185 AromaticContact CG-CD2 3.67Å; Y167-H185 AromaticContact CG-NE2 3.67Å; Y167-D190 HydrophobicContact CE1-CB 3.67Å; Y167-D190 PolarHBondContact OH-OD1 3.07Å; Y167-Q194 HydrophobicContact CD2-CB 4.42Å; Y167-Q194 HydrophobicContact CE2-CB 4.43Å
168R90.2Very high87.1Confident23 Ų2368.8 Ų68.89%0.08734%0.339CS..EExtended strand (participates in β ladder)trans-90.2134.1-179.3-15386.2-179.2-170.96.4111.1K103 F106 A164 C181 S183K103-R168 WeakPolarHBondContact CE-O 3.36Å; K103-R168 WeakPolarHBondContact CG-O 3.39Å; F106-R168 HydrophobicContact CB-CG 4.19Å; F106-R168 HydrophobicContact CD2-CG 4.44Å; F106-R168 HydrophobicContact CG-CG 4.4Å; F106-R168 VanDerWaalsContact CZ-NH2 3.27Å; A164-R168 WeakPolarHBondContact O-CB 3.3Å; R168-C181 PolarHBondContact NH2-O 2.91Å; R168-S183 PolarHBondContact NH1-OG 2.89Å
169D89.3Confident86.7Confident37 Ų3767 Ų6720%0.19833%0.333CS..EExtended strand (participates in β ladder)trans-146.9156.8178.9-156.92.7000111.6T99 R171 C181 D182 F184T99-D169 WeakPolarHBondContact CG2-OD1 3.15Å; D169-R171 HydrophobicContact CB-CG 4.22Å; D169-R171 IonicContact OD2-CZ 3.35Å; D169-R171 IonicContact OD2-NE 2.77Å; D169-R171 PolarHBondContact OD2-NE 3.07Å; D169-R171 IonicContact OD2-NH2 3.04Å; D169-R171 PolarHBondContact OD2-NH2 3.45Å; D169-C181 WeakPolarHBondContact O-CA 3.49Å; D169-D182 PolarHBondContact N-O 3.5Å; D169-D182 PolarHBondContact O-N 3.4Å; D169-D182 VanDerWaalsContact O-N 3.11Å; D169-F184 HydrophobicContact CB-CD2 3.7Å; D169-F184 HydrophobicContact CB-CE2 4.11Å; D169-F184 WeakPolarHBondContact O-CE2 3.45Å
170A89.2Confident86.2Confident17 Ų1764.6 Ų64.614%0.1432%0.318CS..EExtended strand (participates in β ladder)trans-103.1107.1173.800000108.6C102 T179 V180C102-A170 HydrophobicContact CB-CB 4.07Å; A170-T179 HydrophobicContact CB-CG2 4.32Å; A170-V180 WeakPolarHBondContact CA-O 3.5Å
171R87.5Confident85.8Confident108 Ų10864 Ų6441%0.40831%0.312SS..EExtended strand (participates in β ladder)trans-124.8145.8-175.4-60.4-172.6-178177.12.4111.6D169 N173 V180 F184D169-R171 HydrophobicContact CB-CG 4.22Å; D169-R171 IonicContact OD2-CZ 3.35Å; D169-R171 IonicContact OD2-NE 2.77Å; D169-R171 PolarHBondContact OD2-NE 3.07Å; D169-R171 IonicContact OD2-NH2 3.04Å; D169-R171 PolarHBondContact OD2-NH2 3.45Å; R171-N173 PolarHBondContact O-N 2.92Å; R171-V180 PolarHBondContact N-O 3.25Å; R171-V180 PolarHBondContact O-N 2.89Å; R171-F184 HydrophobicContact CB-CE2 4.02Å; R171-F184 HydrophobicContact CB-CZ 3.76Å; R171-F184 HydrophobicContact CG-CD2 4.26Å; R171-F184 HydrophobicContact CG-CE2 3.71Å; R171-F184 HydrophobicContact CG-CZ 3.87Å
172L84Confident85.3Confident100 Ų10066.9 Ų66.952%0.52433%0.328SS..EExtended strand (participates in β ladder)trans-69.5117.2172.1-177.468.8000109.5K174L172-K174 PolarHBondContact O-N 3.48Å
173N81.1Confident84.9Confident52 Ų5264.2 Ų64.228%0.27832%0.316SS..EExtended strand (participates in β ladder)trans-80.2101.2170.3-171.8-28.8000109R171 N175 R176 N177 R178 V180R171-N173 PolarHBondContact O-N 2.92Å; N173-N175 PolarHBondContact O-N 3.29Å; N173-N175 PolarHBondContact OD1-N 3.43Å; N173-R176 PolarHBondContact O-N 3.4Å; N173-N177 PolarHBondContact O-N 3.39Å; N173-R178 WeakPolarHBondContact CB-O 3.27Å; N173-R178 PolarHBondContact N-O 2.99Å; N173-V180 HydrophobicContact CB-CG2 4.22Å
174K76Confident84.5Confident187 Ų18765.8 Ų65.881%0.81332%0.32SS*.THydrogen-bonded Turntrans-55.5-34.6-177.8-66.7-174.8179.4-178.70113.1L172 R176L172-K174 PolarHBondContact O-N 3.48Å; K174-R176 VanDerWaalsContact C-N 3.27Å; K174-R176 PolarHBondContact O-N 3.38Å
175N75.9Confident84.3Confident124 Ų12467.1 Ų67.166%0.66333%0.325SS*.THydrogen-bonded Turntrans-70.3-24.7-178.3-64.81.3000112.7N173N173-N175 PolarHBondContact O-N 3.29Å; N173-N175 PolarHBondContact OD1-N 3.43Å
176R70.6Confident83.7Confident73 Ų7371.3 Ų71.328%0.27535%0.348SS..THydrogen-bonded Turntrans-117-2-174.9-65.7-173.8170.8175.1-5.9113.7S22 N173 K174 R178S22-R176 PolarHBondContact O-NH1 3Å; S22-R176 PolarHBondContact O-NH2 3.19Å; S22-R176 PolarHBondContact OG-NH1 3.21Å; N173-R176 PolarHBondContact O-N 3.4Å; K174-R176 VanDerWaalsContact C-N 3.27Å; K174-R176 PolarHBondContact O-N 3.38Å; R176-R178 WeakPolarHBondContact O-CG 3.3Å; R176-R178 PolarHBondContact O-N 3.44Å
177N83Confident83.3Confident132 Ų13272.8 Ų72.871%0.70635%0.35SS*.THydrogen-bonded Turntrans46.942-173.8-159.834.3000113.3N173N173-N177 PolarHBondContact O-N 3.39Å
178R83.7Confident83.2Confident101 Ų10173 Ų7338%0.38135%0.354SS..EExtended strand (participates in β ladder)trans-138.8144-176.5-72.5169.1-174.9-161.72.5110.4M93 N173 R176M93-R178 WeakPolarHBondContact O-CD 3.22Å; M93-R178 PolarHBondContact SD-NH1 3.12Å; N173-R178 WeakPolarHBondContact CB-O 3.27Å; N173-R178 PolarHBondContact N-O 2.99Å; R176-R178 WeakPolarHBondContact O-CG 3.3Å; R176-R178 PolarHBondContact O-N 3.44Å
179T85.7Confident83.1Confident40 Ų4076.2 Ų76.225%0.24538%0.378CS..EExtended strand (participates in β ladder)trans-82.7126.3175-52.90000109D94 W95 A170D94-T179 WeakPolarHBondContact OD1-CA 3.22Å; D94-T179 PolarHBondContact OD1-N 3.14Å; W95-T179 HydrophobicContact CB-CG2 4.19Å; W95-T179 WeakPolarHBondContact CB-O 3.34Å; W95-T179 PolarHBondContact N-O 3.13Å; W95-T179 WeakPolarHBondContact O-CB 3.49Å; W95-T179 WeakPolarHBondContact O-CG2 3.47Å; A170-T179 HydrophobicContact CB-CG2 4.32Å
180V85.5Confident83Confident29 Ų2976.4 Ų76.418%0.17638%0.379CS..EExtended strand (participates in β ladder)trans-117.5142.9176.9-65.20000110.1A170 R171 N173A170-V180 WeakPolarHBondContact CA-O 3.5Å; R171-V180 PolarHBondContact N-O 3.25Å; R171-V180 PolarHBondContact O-N 2.89Å; N173-V180 HydrophobicContact CB-CG2 4.22Å
181C86.2Confident83Confident5 Ų576.3 Ų76.33%0.03438%0.376CS..EExtended strand (participates in β ladder)trans-99.1101171.5174.10000109.1W95 C102 F106 R168 D169W95-C181 HydrophobicContact CD2-CB 3.79Å; W95-C181 HydrophobicContact CE3-CB 3.94Å; W95-C181 HydrophobicContact CG-CB 4.01Å; C102-C181 VanDerWaalsContact CA-SG 3.52Å; C102-C181 HydrophobicContact CB-CB 3.81Å; C102-C181 WeakPolarHBondContact CB-SG 3.38Å; C102-C181 WeakPolarHBondContact SG-CB 3.5Å; C102-C181 CovalentContact SG-SG 2.01Å; C102-C181 PolarHBondContact SG-SG 3.31Å; F106-C181 WeakPolarHBondContact CD2-SG 3.44Å; F106-C181 HydrophobicContact CE2-CB 4.18Å; F106-C181 WeakPolarHBondContact CE2-SG 3.44Å; R168-C181 PolarHBondContact NH2-O 2.91Å; D169-C181 WeakPolarHBondContact O-CA 3.49Å
182D83.6Confident83.1Confident62 Ų6272.7 Ų72.733%0.33237%0.366SS..EExtended strand (participates in β ladder)trans-135.7170.2-175.3-149.1-10000112D169 F184D169-D182 PolarHBondContact N-O 3.5Å; D169-D182 PolarHBondContact O-N 3.4Å; D169-D182 VanDerWaalsContact O-N 3.11Å; D182-F184 HydrophobicContact CB-CE2 4.19Å; D182-F184 HydrophobicContact CB-CZ 4.28Å; D182-F184 WeakPolarHBondContact O-CD2 3.3Å
183S83.7Confident83.5Confident17 Ų1773.1 Ų73.112%0.11937%0.368CS..EExtended strand (participates in β ladder)trans-85.5125.1173.6-44.10000109.2Y167 R168Y167-S183 CarbonylContact O-C 3.54Å; Y167-S183 WeakPolarHBondContact O-CA 3.22Å; R168-S183 PolarHBondContact NH1-OG 2.89Å
184F81.7Confident83.9Confident60 Ų6070.9 Ų70.926%0.26336%0.356SS..  trans-113.5113.4175.5-63-84.4000108.2Y167 D169 R171 D182Y167-F184 PolarHBondContact O-N 3.42Å; D169-F184 HydrophobicContact CB-CD2 3.7Å; D169-F184 HydrophobicContact CB-CE2 4.11Å; D169-F184 WeakPolarHBondContact O-CE2 3.45Å; R171-F184 HydrophobicContact CB-CE2 4.02Å; R171-F184 HydrophobicContact CB-CZ 3.76Å; R171-F184 HydrophobicContact CG-CD2 4.26Å; R171-F184 HydrophobicContact CG-CE2 3.71Å; R171-F184 HydrophobicContact CG-CZ 3.87Å; D182-F184 HydrophobicContact CB-CE2 4.19Å; D182-F184 HydrophobicContact CB-CZ 4.28Å; D182-F184 WeakPolarHBondContact O-CD2 3.3Å
185H83.9Confident84.6Confident36 Ų3662.1 Ų62.117%0.16732%0.318CS..  trans-108.2125.4174.6-60.191.5000108.2Y167 K187 D190 V191 Q194 Y195Y167-H185 AromaticContact CD1-CD2 3.63Å; Y167-H185 AromaticContact CD2-NE2 3.94Å; Y167-H185 AromaticContact CG-CD2 3.67Å; Y167-H185 AromaticContact CG-NE2 3.67Å; H185-K187 VanDerWaalsContact C-N 3.3Å; H185-D190 HydrophobicContact CB-CB 4.34Å; H185-V191 HydrophobicContact CB-CG2 3.37Å; H185-V191 VanDerWaalsContact CG-CG2 3.47Å; H185-Q194 PolarHBondContact CE1-OE1 2.95Å; H185-Q194 PolarHBondContact NE2-OE1 2.86Å; H185-Y195 AromaticContact CE1-CE2 3.63Å; H185-Y195 AromaticContact CE1-CZ 3.97Å
186D77.4Confident85.4Confident143 Ų14360.1 Ų60.177%0.76531%0.306SS*.SBendtrans-76.6-23.2179.8-64-36.2000111.7
187K83.1Confident86.5Confident142 Ų14259.3 Ų59.362%0.61731%0.307SS*.SBendtrans-136.8145.2-178.7-50.1178.8-179.9172.30111.6H185 P189 D190H185-K187 VanDerWaalsContact C-N 3.3Å; K187-P189 VanDerWaalsContact C-CD 3.44Å; K187-P189 VanDerWaalsContact C-N 3.33Å; K187-D190 WeakPolarHBondContact O-CB 3.03Å; K187-D190 PolarHBondContact O-N 3.39Å
188D85.1Confident87Confident45 Ų4553.2 Ų53.224%0.24127%0.274CS..Hα-helixtrans-55-37.6175.8-75.3-22.8000113.8D190 V191 V192 A261 R270D188-D190 VanDerWaalsContact C-N 3.28Å; D188-D190 PolarHBondContact O-N 3.44Å; D188-V191 WeakPolarHBondContact O-CB 3.31Å; D188-V191 PolarHBondContact O-N 3.48Å; D188-V192 WeakPolarHBondContact O-CG2 3.37Å; D188-V192 PolarHBondContact O-N 2.85Å; D188-V192 VanDerWaalsContact O-N 3.08Å; D188-A261 HydrophobicContact CB-CB 4.16Å; D188-R270 IonicContact OD1-CZ 3.56Å; D188-R270 IonicContact OD1-NH1 2.91Å; D188-R270 IonicContact OD1-NH2 3.3Å; D188-R270 PolarHBondContact OD1-NH2 2.93Å; D188-R270 IonicContact OD2-CZ 3.96Å; D188-R270 IonicContact OD2-NH1 2.86Å; D188-R270 PolarHBondContact OD2-NH1 3.11Å; D188-R270 IonicContact OD2-NH2 3.31Å; D188-R270 PolarHBondContact OD2-NH2 3.29Å
189P88.8Confident87.4Confident91 Ų9148.8 Ų48.859%0.59126%0.258SS*.Hα-helixtrans-60-31.9173.9-27.136.6000114.7K187 V192 L193K187-P189 VanDerWaalsContact C-CD 3.44Å; K187-P189 VanDerWaalsContact C-N 3.33Å; P189-V192 PolarHBondContact O-N 2.82Å; P189-L193 WeakPolarHBondContact O-CB 3.37Å; P189-L193 PolarHBondContact O-N 3.45Å
190D88.2Confident87.9Confident41 Ų4149.6 Ų49.622%0.21926%0.262CS..Hα-helixtrans-69.3-38177.9-67.3-51.6000111.2Y167 H185 K187 D188 L193 Q194Y167-D190 HydrophobicContact CE1-CB 3.67Å; Y167-D190 PolarHBondContact OH-OD1 3.07Å; H185-D190 HydrophobicContact CB-CB 4.34Å; K187-D190 WeakPolarHBondContact O-CB 3.03Å; K187-D190 PolarHBondContact O-N 3.39Å; D188-D190 VanDerWaalsContact C-N 3.28Å; D188-D190 PolarHBondContact O-N 3.44Å; D190-L193 PolarHBondContact O-N 2.98Å; D190-Q194 PolarHBondContact O-N 3.34Å
191V87.6Confident88.3Confident14 Ų1451 Ų519%0.08527%0.268CS..Hα-helixtrans-58.5-52.5171.7-179.80000109.3H185 D188 L193 Q194 Y195 Q257 A261H185-V191 HydrophobicContact CB-CG2 3.37Å; H185-V191 VanDerWaalsContact CG-CG2 3.47Å; D188-V191 WeakPolarHBondContact O-CB 3.31Å; D188-V191 PolarHBondContact O-N 3.48Å; V191-L193 PolarHBondContact O-N 3.42Å; V191-Q194 PolarHBondContact O-N 2.86Å; V191-Y195 HydrophobicContact CB-CD2 4.5Å; V191-Y195 HydrophobicContact CG1-CD2 3.61Å; V191-Y195 HydrophobicContact CG1-CE2 3.83Å; V191-Y195 WeakPolarHBondContact O-CD2 3.4Å; V191-Y195 PolarHBondContact O-N 3.4Å; V191-Q257 HydrophobicContact CG1-CG 3.94Å; V191-A261 HydrophobicContact CB-CB 4.12Å; V191-A261 HydrophobicContact CG1-CB 3.97Å
192V91Very high88.5Confident32 Ų3250.7 Ų50.719%0.19427%0.267CS..Hα-helixtrans-59-48.8-179175.50000110.2D188 P189 M196 V258 A261 L262D188-V192 WeakPolarHBondContact O-CG2 3.37Å; D188-V192 PolarHBondContact O-N 2.85Å; D188-V192 VanDerWaalsContact O-N 3.08Å; P189-V192 PolarHBondContact O-N 2.82Å; V192-M196 HydrophobicContact CG1-CG 3.9Å; V192-M196 WeakPolarHBondContact O-CB 3.42Å; V192-M196 WeakPolarHBondContact O-CG 3.18Å; V192-M196 PolarHBondContact O-N 3.1Å; V192-V258 HydrophobicContact CG1-CG1 4.23Å; V192-V258 HydrophobicContact CG2-CG1 4.35Å; V192-A261 HydrophobicContact CG2-CB 3.91Å; V192-L262 HydrophobicContact CG2-CD2 3.9Å; V192-L262 HydrophobicContact CG2-CG 4.18Å
193L90.8Very high88.9Confident109 Ų10949.4 Ų49.457%0.57126%0.258SS*.Hα-helixtrans-59-52.3-178.5-179.765.2000112P189 D190 V191 L197P189-L193 WeakPolarHBondContact O-CB 3.37Å; P189-L193 PolarHBondContact O-N 3.45Å; D190-L193 PolarHBondContact O-N 2.98Å; V191-L193 PolarHBondContact O-N 3.42Å; L193-L197 VanDerWaalsContact O-CB 3.26Å; L193-L197 WeakPolarHBondContact O-CB 3.25Å; L193-L197 PolarHBondContact O-N 3.3Å; L193-L197 VanDerWaalsContact O-N 3.07Å
194Q90.7Very high89.4Confident6 Ų652.4 Ų52.43%0.02828%0.276CS..Hα-helixtrans-61.5-54-178.1178.8-177.3-2600111.3P163 Y167 H185 D190 V191 L197 E198P163-Q194 HydrophobicContact CB-CG 4.11Å; Y167-Q194 HydrophobicContact CD2-CB 4.42Å; Y167-Q194 HydrophobicContact CE2-CB 4.43Å; H185-Q194 PolarHBondContact CE1-OE1 2.95Å; H185-Q194 PolarHBondContact NE2-OE1 2.86Å; D190-Q194 PolarHBondContact O-N 3.34Å; V191-Q194 PolarHBondContact O-N 2.86Å; Q194-L197 PolarHBondContact O-N 3.49Å; Q194-E198 PolarHBondContact NE2-OE1 3.01Å; Q194-E198 WeakPolarHBondContact O-CG 3.18Å; Q194-E198 PolarHBondContact O-N 3.22Å
195Y91.3Very high90Very high2 Ų253 Ų531%0.00828%0.284CS..Hα-helixtrans-75.9-28.7-172-66-62.7000112.8H185 V191 E198 I199 N254 Q257H185-Y195 AromaticContact CE1-CE2 3.63Å; H185-Y195 AromaticContact CE1-CZ 3.97Å; V191-Y195 HydrophobicContact CB-CD2 4.5Å; V191-Y195 HydrophobicContact CG1-CD2 3.61Å; V191-Y195 HydrophobicContact CG1-CE2 3.83Å; V191-Y195 WeakPolarHBondContact O-CD2 3.4Å; V191-Y195 PolarHBondContact O-N 3.4Å; Y195-E198 PolarHBondContact O-N 2.93Å; Y195-I199 WeakPolarHBondContact O-CD1 3.42Å; Y195-I199 WeakPolarHBondContact O-CG1 3.18Å; Y195-I199 PolarHBondContact O-N 3.27Å; Y195-N254 HydrophobicContact CD1-CB 4.4Å; Y195-Q257 HydrophobicContact CD2-CG 4.08Å; Y195-Q257 HydrophobicContact CE2-CG 4.03Å; Y195-Q257 PolarHBondContact OH-NE2 3.09Å
196M92.2Very high90.5Very high83 Ų8351.3 Ų51.341%0.40928%0.276SS..Hα-helixtrans-66.3-40.6169.6-74.2-65-69.500111.5V192 E198 I199 V200 V258V192-M196 HydrophobicContact CG1-CG 3.9Å; V192-M196 WeakPolarHBondContact O-CB 3.42Å; V192-M196 WeakPolarHBondContact O-CG 3.18Å; V192-M196 PolarHBondContact O-N 3.1Å; M196-E198 VanDerWaalsContact C-N 3.33Å; M196-I199 PolarHBondContact O-N 3.25Å; M196-I199 HydrophobicContact SD-CD1 4.37Å; M196-V200 WeakPolarHBondContact O-CB 3.33Å; M196-V200 VanDerWaalsContact O-CG2 3.28Å; M196-V200 WeakPolarHBondContact O-CG2 3.4Å; M196-V200 PolarHBondContact O-N 2.97Å; M196-V258 HydrophobicContact CG-CG1 3.94Å; M196-V258 HydrophobicContact CG-CG2 4Å; M196-V258 HydrophobicContact SD-CG1 3.84Å; M196-V258 HydrophobicContact SD-CG2 4.19Å
197L92.6Very high91.2Very high55 Ų5545.9 Ų45.929%0.28825%0.245SC..Hα-helixtrans-61.4-43.8174-173.8154000110.7Y114 L193 Q194 I199 V200 L201Y114-L197 VanDerWaalsContact OH-CD2 3.25Å; Y114-L197 WeakPolarHBondContact OH-CD2 3.45Å; L193-L197 VanDerWaalsContact O-CB 3.26Å; L193-L197 WeakPolarHBondContact O-CB 3.25Å; L193-L197 PolarHBondContact O-N 3.3Å; L193-L197 VanDerWaalsContact O-N 3.07Å; Q194-L197 PolarHBondContact O-N 3.49Å; L197-I199 VanDerWaalsContact C-N 3.34Å; L197-I199 PolarHBondContact O-N 3.28Å; L197-V200 PolarHBondContact O-N 3.48Å; L197-L201 HydrophobicContact CD2-CD1 3.65Å; L197-L201 HydrophobicContact CD2-CG 4.37Å; L197-L201 HydrophobicContact CG-CD1 3.87Å; L197-L201 HydrophobicContact CG-CG 4.38Å; L197-L201 WeakPolarHBondContact O-CB 3.41Å; L197-L201 PolarHBondContact O-N 3.16Å
198E93.4Very high91.7Very high4 Ų440.7 Ų40.72%0.01923%0.232CC..Hα-helixtrans-58-42.4172.9-71.2-177.7-148.700112.7L110 Y114 Q194 Y195 M196 G202 Y250 N254L110-E198 HydrophobicContact CD1-CG 3.99Å; Y114-E198 VanDerWaalsContact OH-CA 3.26Å; Y114-E198 WeakPolarHBondContact OH-CA 3.39Å; Y114-E198 WeakPolarHBondContact OH-CG 3.36Å; Q194-E198 PolarHBondContact NE2-OE1 3.01Å; Q194-E198 WeakPolarHBondContact O-CG 3.18Å; Q194-E198 PolarHBondContact O-N 3.22Å; Y195-E198 PolarHBondContact O-N 2.93Å; M196-E198 VanDerWaalsContact C-N 3.33Å; E198-G202 WeakPolarHBondContact O-CA 3.34Å; E198-G202 PolarHBondContact O-N 2.92Å; E198-Y250 PolarHBondContact OE2-OH 3.48Å; E198-N254 PolarHBondContact OE2-ND2 3.48Å
199I94Very high92.2Very high9 Ų941 Ų415%0.04624%0.236CC..Hα-helixtrans-69.6-45.6178.8-69.3159.2000111Y195 M196 L197 F203 V204 N254 M255 V258Y195-I199 WeakPolarHBondContact O-CD1 3.42Å; Y195-I199 WeakPolarHBondContact O-CG1 3.18Å; Y195-I199 PolarHBondContact O-N 3.27Å; M196-I199 PolarHBondContact O-N 3.25Å; M196-I199 HydrophobicContact SD-CD1 4.37Å; L197-I199 VanDerWaalsContact C-N 3.34Å; L197-I199 PolarHBondContact O-N 3.28Å; I199-F203 CarbonylContact O-C 3.41Å; I199-F203 VanDerWaalsContact O-CA 3.32Å; I199-F203 WeakPolarHBondContact O-CA 3.38Å; I199-F203 WeakPolarHBondContact O-CB 3.41Å; I199-F203 PolarHBondContact O-N 2.95Å; I199-V204 HydrophobicContact CG2-CG2 3.91Å; I199-V204 PolarHBondContact O-N 3.47Å; I199-N254 HydrophobicContact CD1-CB 3.95Å; I199-N254 HydrophobicContact CG1-CB 3.96Å; I199-M255 HydrophobicContact CD1-CB 4.4Å; I199-M255 HydrophobicContact CD1-CG 3.67Å; I199-M255 HydrophobicContact CG1-CG 4.36Å; I199-M255 HydrophobicContact CG2-CE 4.12Å; I199-V258 HydrophobicContact CD1-CG2 4.33Å
200V94.4Very high92.4Very high56 Ų5636.9 Ų36.934%0.33921%0.209SC..Iπ-helixtrans-69.3-49.4-175.41720000110.8M196 L197 V204 V205M196-V200 WeakPolarHBondContact O-CB 3.33Å; M196-V200 VanDerWaalsContact O-CG2 3.28Å; M196-V200 WeakPolarHBondContact O-CG2 3.4Å; M196-V200 PolarHBondContact O-N 2.97Å; L197-V200 PolarHBondContact O-N 3.48Å; V200-V204 PolarHBondContact O-N 3.28Å; V200-V205 HydrophobicContact CG1-CG2 3.89Å; V200-V205 WeakPolarHBondContact O-CB 3.14Å; V200-V205 PolarHBondContact O-N 3.02Å
201L93.8Very high92.6Very high58 Ų5840.2 Ų40.230%0.30423%0.226SC..Iπ-helixtrans-82.2-30.3-177-61.4-174.6000113.2Y114 A160 L197 P206Y114-L201 HydrophobicContact CD1-CB 4.41Å; Y114-L201 HydrophobicContact CE1-CB 3.93Å; A160-L201 HydrophobicContact CB-CD1 3.96Å; L197-L201 HydrophobicContact CD2-CD1 3.65Å; L197-L201 HydrophobicContact CD2-CG 4.37Å; L197-L201 HydrophobicContact CG-CD1 3.87Å; L197-L201 HydrophobicContact CG-CG 4.38Å; L197-L201 WeakPolarHBondContact O-CB 3.41Å; L197-L201 PolarHBondContact O-N 3.16Å; L201-P206 WeakPolarHBondContact O-CD 3.37Å; L201-P206 WeakPolarHBondContact O-CG 3.27Å
202G91.1Very high92.9Very high0 Ų043.7 Ų43.70%025%0.247CC..Iπ-helixtrans-87.9-22.418000000113.9E198E198-G202 WeakPolarHBondContact O-CA 3.34Å; E198-G202 PolarHBondContact O-N 2.92Å
203F91.6Very high92.9Very high34 Ų3442.3 Ų42.315%0.14924%0.239CC..Iπ-helixtrans-132.5-69.5-173.3-163.6-101.3000113.1I199 V205 P206 Y207 L248 H251I199-F203 CarbonylContact O-C 3.41Å; I199-F203 VanDerWaalsContact O-CA 3.32Å; I199-F203 WeakPolarHBondContact O-CA 3.38Å; I199-F203 WeakPolarHBondContact O-CB 3.41Å; I199-F203 PolarHBondContact O-N 2.95Å; F203-V205 PolarHBondContact O-N 3.49Å; F203-P206 WeakPolarHBondContact O-CD 3.45Å; F203-Y207 HydrophobicContact CB-CD2 4.38Å; F203-Y207 HydrophobicContact CD1-CD2 4.47Å; F203-Y207 AromaticContact CD2-CD2 3.42Å; F203-Y207 HydrophobicContact CD2-CD2 3.42Å; F203-Y207 VanDerWaalsContact CD2-CD2 3.42Å; F203-Y207 AromaticContact CD2-CE2 3.3Å; F203-Y207 HydrophobicContact CD2-CE2 3.3Å; F203-Y207 AromaticContact CE2-CD2 3.66Å; F203-Y207 HydrophobicContact CE2-CD2 3.66Å; F203-Y207 AromaticContact CE2-CE2 3.53Å; F203-Y207 HydrophobicContact CE2-CE2 3.53Å; F203-Y207 HydrophobicContact CE2-CG 4.44Å; F203-Y207 AromaticContact CG-CD2 3.85Å; F203-Y207 HydrophobicContact CG-CD2 3.85Å; F203-Y207 HydrophobicContact CG-CE2 4.15Å; F203-Y207 HydrophobicContact CZ-CD2 4.29Å; F203-Y207 WeakPolarHBondContact O-CB 3.39Å; F203-Y207 WeakPolarHBondContact O-CD2 3.23Å; F203-Y207 PolarHBondContact O-N 3.48Å; F203-L248 HydrophobicContact CE1-CD1 4.43Å; F203-L248 HydrophobicContact CE2-CD1 4.06Å; F203-L248 HydrophobicContact CZ-CD1 3.65Å; F203-H251 HydrophobicContact CD2-CB 4.39Å; F203-H251 AromaticContact CD2-CD2 3.41Å; F203-H251 VanDerWaalsContact CD2-CD2 3.41Å; F203-H251 WeakPolarHBondContact CD2-CD2 3.33Å; F203-H251 AromaticContact CD2-CG 3.99Å; F203-H251 HydrophobicContact CG-CB 4.4Å; F203-H251 AromaticContact CG-CD2 3.89Å
204V93.8Very high92.7Very high81 Ų8138.3 Ų38.349%0.49122%0.216SC..Iπ-helixtrans-59.6-52.1-166.1178.90000112.9I199 V200 G208I199-V204 HydrophobicContact CG2-CG2 3.91Å; I199-V204 PolarHBondContact O-N 3.47Å; V200-V204 PolarHBondContact O-N 3.28Å; V204-G208 PolarHBondContact O-N 3.46Å
205V94.9Very high92.6Very high71 Ų7141.2 Ų41.243%0.4323%0.232SC..Hα-helixtrans-66.9-52.8-177.7170.80000111.3V200 F203 Y207 G208 V209V200-V205 HydrophobicContact CG1-CG2 3.89Å; V200-V205 WeakPolarHBondContact O-CB 3.14Å; V200-V205 PolarHBondContact O-N 3.02Å; F203-V205 PolarHBondContact O-N 3.49Å; V205-Y207 PolarHBondContact O-N 3.21Å; V205-G208 PolarHBondContact O-N 3.43Å; V205-V209 WeakPolarHBondContact O-CG2 3.4Å; V205-V209 PolarHBondContact O-N 3.18Å
206P93.9Very high92.5Very high1 Ų143.5 Ų43.51%0.00625%0.247CC..Hα-helixtrans-62.5-44.7-178.6-22.532.4000113.5I117 M121 L201 F203 G208 V209 I210I117-P206 HydrophobicContact CD1-CB 3.97Å; I117-P206 HydrophobicContact CG1-CB 3.33Å; I117-P206 HydrophobicContact CG1-CG 3.74Å; I117-P206 HydrophobicContact CG2-CG 4.18Å; M121-P206 HydrophobicContact CB-CB 4.36Å; M121-P206 HydrophobicContact SD-CB 4.24Å; L201-P206 WeakPolarHBondContact O-CD 3.37Å; L201-P206 WeakPolarHBondContact O-CG 3.27Å; F203-P206 WeakPolarHBondContact O-CD 3.45Å; P206-G208 PolarHBondContact O-N 3.16Å; P206-V209 PolarHBondContact O-N 2.94Å; P206-I210 WeakPolarHBondContact O-CB 3.22Å; P206-I210 WeakPolarHBondContact O-CD1 3.17Å; P206-I210 WeakPolarHBondContact O-CG1 3.43Å; P206-I210 PolarHBondContact O-N 3.14Å
207Y92.6Very high92.1Very high29 Ų2939.7 Ų39.711%0.11423%0.228CC..Hα-helixtrans-68.4-35179.3-78.2-76.1000112.6I117 F203 V205 I210 L211 V240 F243 C244I117-Y207 HydrophobicContact CD1-CD2 4.36Å; I117-Y207 HydrophobicContact CD1-CE1 4.47Å; I117-Y207 HydrophobicContact CD1-CE2 3.79Å; F203-Y207 HydrophobicContact CB-CD2 4.38Å; F203-Y207 HydrophobicContact CD1-CD2 4.47Å; F203-Y207 AromaticContact CD2-CD2 3.42Å; F203-Y207 HydrophobicContact CD2-CD2 3.42Å; F203-Y207 VanDerWaalsContact CD2-CD2 3.42Å; F203-Y207 AromaticContact CD2-CE2 3.3Å; F203-Y207 HydrophobicContact CD2-CE2 3.3Å; F203-Y207 AromaticContact CE2-CD2 3.66Å; F203-Y207 HydrophobicContact CE2-CD2 3.66Å; F203-Y207 AromaticContact CE2-CE2 3.53Å; F203-Y207 HydrophobicContact CE2-CE2 3.53Å; F203-Y207 HydrophobicContact CE2-CG 4.44Å; F203-Y207 AromaticContact CG-CD2 3.85Å; F203-Y207 HydrophobicContact CG-CD2 3.85Å; F203-Y207 HydrophobicContact CG-CE2 4.15Å; F203-Y207 HydrophobicContact CZ-CD2 4.29Å; F203-Y207 WeakPolarHBondContact O-CB 3.39Å; F203-Y207 WeakPolarHBondContact O-CD2 3.23Å; F203-Y207 PolarHBondContact O-N 3.48Å; V205-Y207 PolarHBondContact O-N 3.21Å; Y207-I210 PolarHBondContact O-N 3.17Å; Y207-L211 WeakPolarHBondContact O-CB 3.35Å; Y207-L211 PolarHBondContact O-N 3.32Å; Y207-V240 HydrophobicContact CE1-CG1 4.4Å; Y207-F243 VanDerWaalsContact OH-CD1 3.23Å; Y207-F243 WeakPolarHBondContact OH-CD1 3.22Å; Y207-C244 HydrophobicContact CE1-CB 3.62Å; Y207-C244 WeakPolarHBondContact OH-CA 3.49Å; Y207-C244 WeakPolarHBondContact OH-CB 3.49Å; Y207-C244 PolarHBondContact OH-N 3.07Å
208G94.6Very high91.7Very high34 Ų3441.6 Ų41.635%0.35124%0.238SC..Hα-helixtrans-58.7-49.4172.500000111.5V204 V205 P206 L211 V212V204-G208 PolarHBondContact O-N 3.46Å; V205-G208 PolarHBondContact O-N 3.43Å; P206-G208 PolarHBondContact O-N 3.16Å; G208-L211 PolarHBondContact O-N 3.23Å; G208-V212 VanDerWaalsContact O-CG2 3.3Å; G208-V212 WeakPolarHBondContact O-CG2 3.25Å; G208-V212 PolarHBondContact O-N 2.86Å
209V95.3Very high91.3Very high51 Ų5149.3 Ų49.331%0.30927%0.267SS..Hα-helixtrans-63.9-44.7177.9174.80000111.5M121 I125 V205 P206 S213M121-V209 HydrophobicContact CG-CB 4Å; M121-V209 HydrophobicContact CG-CG1 3.74Å; M121-V209 HydrophobicContact SD-CB 3.87Å; M121-V209 HydrophobicContact SD-CG1 3.97Å; M121-V209 HydrophobicContact SD-CG2 4.09Å; I125-V209 HydrophobicContact CD1-CG1 3.85Å; I125-V209 HydrophobicContact CG1-CG1 3.83Å; V205-V209 WeakPolarHBondContact O-CG2 3.4Å; V205-V209 PolarHBondContact O-N 3.18Å; P206-V209 PolarHBondContact O-N 2.94Å; V209-S213 VanDerWaalsContact O-CB 3.29Å; V209-S213 WeakPolarHBondContact O-CB 3.48Å; V209-S213 PolarHBondContact O-N 2.88Å; V209-S213 PolarHBondContact O-OG 3.12Å
210I92.8Very high90.7Very high4 Ų453.5 Ų53.52%0.02128%0.282CS..Hα-helixtrans-59-51.7177.1-69.3162.8000109.8I117 I120 M121 P206 Y207 V212 S213 Y214 V240I117-I210 HydrophobicContact CD1-CD1 4.08Å; I120-I210 HydrophobicContact CG2-CD1 3.93Å; M121-I210 HydrophobicContact CB-CD1 4.25Å; M121-I210 HydrophobicContact CB-CG1 4.15Å; M121-I210 HydrophobicContact CG-CG1 4.35Å; P206-I210 WeakPolarHBondContact O-CB 3.22Å; P206-I210 WeakPolarHBondContact O-CD1 3.17Å; P206-I210 WeakPolarHBondContact O-CG1 3.43Å; P206-I210 PolarHBondContact O-N 3.14Å; Y207-I210 PolarHBondContact O-N 3.17Å; I210-V212 PolarHBondContact O-N 2.97Å; I210-S213 WeakPolarHBondContact O-CB 3.28Å; I210-S213 PolarHBondContact O-N 3.3Å; I210-S213 VanDerWaalsContact O-N 3.14Å; I210-S213 PolarHBondContact O-OG 3.46Å; I210-Y214 HydrophobicContact CG2-CD2 3.68Å; I210-Y214 HydrophobicContact CG2-CE2 3.78Å; I210-Y214 VanDerWaalsContact O-CD2 3.3Å; I210-Y214 WeakPolarHBondContact O-CD2 3.36Å; I210-Y214 PolarHBondContact O-N 2.94Å; I210-V240 HydrophobicContact CG2-CB 4.39Å; I210-V240 HydrophobicContact CG2-CG1 3.61Å; I210-V240 HydrophobicContact CG2-CG2 3.82Å
211L92Very high89.8Confident111 Ų11153 Ų5358%0.58128%0.277SS*.Hα-helixtrans-58.2-49.6-178.7-179.763.2000111.8Y207 G208 S213 Y214 I215Y207-L211 WeakPolarHBondContact O-CB 3.35Å; Y207-L211 PolarHBondContact O-N 3.32Å; G208-L211 PolarHBondContact O-N 3.23Å; L211-S213 VanDerWaalsContact C-N 3.3Å; L211-S213 PolarHBondContact O-N 3.21Å; L211-Y214 PolarHBondContact O-N 3.09Å; L211-I215 HydrophobicContact CD1-CD1 4.15Å; L211-I215 HydrophobicContact CD1-CG1 4.46Å; L211-I215 HydrophobicContact CG-CD1 3.92Å; L211-I215 VanDerWaalsContact O-CG1 3.29Å; L211-I215 WeakPolarHBondContact O-CG1 3.35Å; L211-I215 PolarHBondContact O-N 3.15Å
212V93.3Very high89Confident88 Ų8860.7 Ų60.753%0.53330%0.303SS..Hα-helixtrans-59-44176.8171.90000110.6G208 I210 Y214 I215 C216G208-V212 VanDerWaalsContact O-CG2 3.3Å; G208-V212 WeakPolarHBondContact O-CG2 3.25Å; G208-V212 PolarHBondContact O-N 2.86Å; I210-V212 PolarHBondContact O-N 2.97Å; V212-Y214 VanDerWaalsContact C-N 3.34Å; V212-Y214 PolarHBondContact O-N 3.4Å; V212-I215 PolarHBondContact O-N 2.98Å; V212-C216 PolarHBondContact O-N 3.46Å; V212-C216 PolarHBondContact O-SG 2.94Å; V212-C216 VanDerWaalsContact O-SG 3.36Å
213S91.4Very high88.3Confident3 Ų367.8 Ų67.82%0.02134%0.336CS..Hα-helixtrans-60.5-42.817979.30000112.2V209 I210 L211 C216 I217V209-S213 VanDerWaalsContact O-CB 3.29Å; V209-S213 WeakPolarHBondContact O-CB 3.48Å; V209-S213 PolarHBondContact O-N 2.88Å; V209-S213 PolarHBondContact O-OG 3.12Å; I210-S213 WeakPolarHBondContact O-CB 3.28Å; I210-S213 PolarHBondContact O-N 3.3Å; I210-S213 VanDerWaalsContact O-N 3.14Å; I210-S213 PolarHBondContact O-OG 3.46Å; L211-S213 VanDerWaalsContact C-N 3.3Å; L211-S213 PolarHBondContact O-N 3.21Å; S213-C216 PolarHBondContact O-N 3.19Å; S213-I217 WeakPolarHBondContact O-CD1 3.47Å; S213-I217 WeakPolarHBondContact O-CG1 3.34Å; S213-I217 PolarHBondContact O-N 3.25Å
214Y87.4Confident87.1Confident24 Ų2468.5 Ų68.59%0.09434%0.343CS..Hα-helixtrans-69.4-38.6177.7-87.6-79.7000112.8I210 L211 V212 C216 I217 L218 I236 L237 V240I210-Y214 HydrophobicContact CG2-CD2 3.68Å; I210-Y214 HydrophobicContact CG2-CE2 3.78Å; I210-Y214 VanDerWaalsContact O-CD2 3.3Å; I210-Y214 WeakPolarHBondContact O-CD2 3.36Å; I210-Y214 PolarHBondContact O-N 2.94Å; L211-Y214 PolarHBondContact O-N 3.09Å; V212-Y214 VanDerWaalsContact C-N 3.34Å; V212-Y214 PolarHBondContact O-N 3.4Å; Y214-C216 VanDerWaalsContact C-N 3.33Å; Y214-C216 PolarHBondContact O-N 2.93Å; Y214-I217 PolarHBondContact O-N 3.17Å; Y214-L218 WeakPolarHBondContact O-CB 3.43Å; Y214-L218 VanDerWaalsContact O-CG 3.28Å; Y214-L218 WeakPolarHBondContact O-CG 3.44Å; Y214-L218 PolarHBondContact O-N 3.2Å; Y214-I236 VanDerWaalsContact OH-CB 3.24Å; Y214-I236 WeakPolarHBondContact OH-CB 3.32Å; Y214-I236 WeakPolarHBondContact OH-CG2 3.36Å; Y214-L237 HydrophobicContact CD1-CD1 4.31Å; Y214-L237 HydrophobicContact CE1-CB 4.07Å; Y214-L237 HydrophobicContact CE1-CD1 4.16Å; Y214-L237 PolarHBondContact OH-N 3.3Å; Y214-V240 HydrophobicContact CE2-CG2 4.09Å
215I88.1Confident85.4Confident68 Ų6876.9 Ų76.935%0.34937%0.366SS..Hα-helixtrans-59.6-46.4173.8-68.6166000110.1L211 V212 L218 R219L211-I215 HydrophobicContact CD1-CD1 4.15Å; L211-I215 HydrophobicContact CD1-CG1 4.46Å; L211-I215 HydrophobicContact CG-CD1 3.92Å; L211-I215 VanDerWaalsContact O-CG1 3.29Å; L211-I215 WeakPolarHBondContact O-CG1 3.35Å; L211-I215 PolarHBondContact O-N 3.15Å; V212-I215 PolarHBondContact O-N 2.98Å; I215-L218 PolarHBondContact O-N 3.41Å; I215-R219 WeakPolarHBondContact O-CB 3.35Å; I215-R219 WeakPolarHBondContact O-CG 3.34Å; I215-R219 PolarHBondContact O-N 3.33Å
216C88.9Confident83.5Confident49 Ų4980 Ų8033%0.33137%0.373SS..Hα-helixtrans-62.6-43.1177.1-71.20000112.3L128 V212 S213 Y214 R219 R220L128-C216 HydrophobicContact CD1-CB 3.42Å; L128-C216 VanDerWaalsContact CD1-CB 3.42Å; V212-C216 PolarHBondContact O-N 3.46Å; V212-C216 PolarHBondContact O-SG 2.94Å; V212-C216 VanDerWaalsContact O-SG 3.36Å; S213-C216 PolarHBondContact O-N 3.19Å; Y214-C216 VanDerWaalsContact C-N 3.33Å; Y214-C216 PolarHBondContact O-N 2.93Å; C216-R219 PolarHBondContact O-N 3.26Å; C216-R220 WeakPolarHBondContact O-CB 3.47Å; C216-R220 PolarHBondContact O-N 3.22Å
217I84.8Confident81.5Confident4 Ų490.5 Ų90.52%0.02141%0.413CS..Hα-helixtrans-58.5-51.3174.8-70.6163.5000110.3R127 L128 S213 Y214 R219 R220 I221R127-I217 HydrophobicContact CB-CD1 4.14Å; L128-I217 HydrophobicContact CB-CD1 4.2Å; L128-I217 HydrophobicContact CB-CG1 4.21Å; L128-I217 HydrophobicContact CD1-CG1 3.95Å; S213-I217 WeakPolarHBondContact O-CD1 3.47Å; S213-I217 WeakPolarHBondContact O-CG1 3.34Å; S213-I217 PolarHBondContact O-N 3.25Å; Y214-I217 PolarHBondContact O-N 3.17Å; I217-R219 VanDerWaalsContact C-N 3.34Å; I217-R219 PolarHBondContact O-N 3.37Å; I217-R220 PolarHBondContact O-N 3.3Å; I217-I221 HydrophobicContact CG2-CD1 3.56Å; I217-I221 HydrophobicContact CG2-CG1 4.35Å; I217-I221 VanDerWaalsContact O-CG1 3.3Å; I217-I221 WeakPolarHBondContact O-CG1 3.46Å; I217-I221 PolarHBondContact O-N 2.9Å
218L83.1Confident79.6Confident95 Ų9599.6 Ų99.650%0.49745%0.447SS..Hα-helixtrans-61.3-41.3-179.3-72.3173.2000112.2Y214 I215 I221 R222Y214-L218 WeakPolarHBondContact O-CB 3.43Å; Y214-L218 VanDerWaalsContact O-CG 3.28Å; Y214-L218 WeakPolarHBondContact O-CG 3.44Å; Y214-L218 PolarHBondContact O-N 3.2Å; I215-L218 PolarHBondContact O-N 3.41Å; L218-I221 PolarHBondContact O-N 3.13Å; L218-R222 WeakPolarHBondContact O-CG 3.2Å; L218-R222 PolarHBondContact O-N 3.13Å
219R84.8Confident77.7Confident166 Ų166102 Ų10263%0.62645%0.446SS*.Hα-helixtrans-60.1-47174.4-76.2178.1175.6-179-0.7111.2I215 C216 I217 I221 R222 Q223I215-R219 WeakPolarHBondContact O-CB 3.35Å; I215-R219 WeakPolarHBondContact O-CG 3.34Å; I215-R219 PolarHBondContact O-N 3.33Å; C216-R219 PolarHBondContact O-N 3.26Å; I217-R219 VanDerWaalsContact C-N 3.34Å; I217-R219 PolarHBondContact O-N 3.37Å; R219-I221 PolarHBondContact O-N 3.09Å; R219-R222 PolarHBondContact O-N 3.08Å; R219-Q223 WeakPolarHBondContact O-CG 3.35Å; R219-Q223 PolarHBondContact O-N 3.15Å; R219-Q223 VanDerWaalsContact O-N 3.12Å
220R81.3Confident75.8Confident96 Ų96103.7 Ų103.736%0.36245%0.452SS..Hα-helixtrans-65.2-39.2-179.8-173.859.1168.1-171.7-2.3112.7V131 V132 C216 I217 Q223 T224V131-R220 HydrophobicContact CG1-CB 4.18Å; V131-R220 HydrophobicContact CG1-CG 3.9Å; V132-R220 HydrophobicContact CG2-CG 4.43Å; C216-R220 WeakPolarHBondContact O-CB 3.47Å; C216-R220 PolarHBondContact O-N 3.22Å; I217-R220 PolarHBondContact O-N 3.3Å; R220-Q223 PolarHBondContact O-N 3.04Å; R220-T224 PolarHBondContact O-N 3.38Å; R220-T224 VanDerWaalsContact O-N 3.1Å; R220-T224 PolarHBondContact O-OG1 2.88Å
221I76.3Confident74.3Confident46 Ų46109 Ų10924%0.23647%0.472CS..Hα-helixtrans-67.6-37.3176.7-68.1169000111.1V131 I217 L218 R219 Q223 E233V131-I221 HydrophobicContact CG1-CG1 4.41Å; I217-I221 HydrophobicContact CG2-CD1 3.56Å; I217-I221 HydrophobicContact CG2-CG1 4.35Å; I217-I221 VanDerWaalsContact O-CG1 3.3Å; I217-I221 WeakPolarHBondContact O-CG1 3.46Å; I217-I221 PolarHBondContact O-N 2.9Å; L218-I221 PolarHBondContact O-N 3.13Å; R219-I221 PolarHBondContact O-N 3.09Å; I221-Q223 VanDerWaalsContact C-N 3.34Å; I221-E233 VanDerWaalsContact CD1-OE1 3.26Å; I221-E233 WeakPolarHBondContact CD1-OE1 3.48Å; I221-E233 VanDerWaalsContact CD1-OE2 3.22Å; I221-E233 WeakPolarHBondContact CD1-OE2 3.47Å
222R77.1Confident73Confident220 Ų220105.3 Ų105.383%0.8346%0.455SS*.Hα-helixtrans-66.4-36.4175.5-74.7178.8-179.8-172.80.7112.6L218 R219L218-R222 WeakPolarHBondContact O-CG 3.2Å; L218-R222 PolarHBondContact O-N 3.13Å; R219-R222 PolarHBondContact O-N 3.08Å
223Q75.8Confident72Confident149 Ų149103 Ų10370%0.69644%0.439SS*.Hα-helixtrans-74.7-28.3-179.9-72.4174.5-9.800113.3R219 R220 I221R219-Q223 WeakPolarHBondContact O-CG 3.35Å; R219-Q223 PolarHBondContact O-N 3.15Å; R219-Q223 VanDerWaalsContact O-N 3.12Å; R220-Q223 PolarHBondContact O-N 3.04Å; I221-Q223 VanDerWaalsContact C-N 3.34Å
224T67.3Low71.3Confident48 Ų48109.7 Ų109.729%0.29447%0.467SS..SBendtrans-101.2125-17956.60000109.2R220 F226R220-T224 PolarHBondContact O-N 3.38Å; R220-T224 VanDerWaalsContact O-N 3.1Å; R220-T224 PolarHBondContact O-OG1 2.88Å; T224-F226 PolarHBondContact O-N 3.17Å
225R57.3Low71Confident258 Ų258109.3 Ų109.397%0.97447%0.467SS*.  trans-61.99.8176.5-72.9-171.4-179.5-178.31114.2R227R225-R227 VanDerWaalsContact C-N 3.33Å; R225-R227 PolarHBondContact O-N 3.48Å
226F55.8Low70.7Confident135 Ų135106.6 Ų106.659%0.59245%0.453SS*.  trans-76.477.4176.5-94.3-75.5000111.6T224 R228T224-F226 PolarHBondContact O-N 3.17Å; F226-R228 PolarHBondContact O-N 2.96Å
227R52.5Low70.4Confident222 Ų222108.1 Ų108.184%0.83846%0.457SS*.  trans-67.65.5171.4-96.9-172.9171.7-162.5-0.9115.4R225R225-R227 VanDerWaalsContact C-N 3.33Å; R225-R227 PolarHBondContact O-N 3.48Å
228R50.9Low70.6Confident220 Ų220109.5 Ų109.583%0.8347%0.47SS*.  trans-114.277.6-170.8-69.5-173.6-174.7166.72.7112.3F226F226-R228 PolarHBondContact O-N 2.96Å
229R55.9Low70.8Confident85 Ų85105.1 Ų105.132%0.32145%0.446SS..  trans-176.136152-108.1164173.9-149.8-18.2116.3R231 D325R229-R231 VanDerWaalsContact C-N 3.32Å; R229-R231 PolarHBondContact O-N 3.03Å; R229-D325 VanDerWaalsContact CZ-CB 3.48Å; R229-D325 IonicContact CZ-OD2 3.26Å; R229-D325 VanDerWaalsContact CZ-OD2 3.26Å; R229-D325 IonicContact NE-OD2 3.04Å; R229-D325 PolarHBondContact NE-OD2 3.2Å; R229-D325 VanDerWaalsContact NH2-N 3.19Å; R229-D325 IonicContact NH2-OD2 2.72Å; R229-D325 PolarHBondContact NH2-OD2 3.27Å
230I55.9Low71Confident87 Ų8797.8 Ų97.845%0.44642%0.42SS..Hα-helixtrans-69.9-19-171.2-60.6169.3000114.3K234I230-K234 HydrophobicContact CG2-CD 3.81Å; I230-K234 VanDerWaalsContact CG2-CE 3.43Å; I230-K234 HydrophobicContact CG2-CG 3.98Å; I230-K234 WeakPolarHBondContact O-CG 3.29Å; I230-K234 PolarHBondContact O-N 3.08Å; I230-K234 VanDerWaalsContact O-N 3.16Å
231R61.4Low71.4Confident116 Ų11696.5 Ų96.544%0.43842%0.423SS..Hα-helixtrans-73.1-42.2-167.2-166.8173-177.7162.3-3.6114.3R229 L235 A302 S305R229-R231 VanDerWaalsContact C-N 3.32Å; R229-R231 PolarHBondContact O-N 3.03Å; R231-L235 PolarHBondContact O-N 3.21Å; R231-A302 PolarHBondContact NE-O 2.86Å; R231-A302 PolarHBondContact NH2-O 2.74Å; R231-S305 PolarHBondContact NH1-OG 2.98Å; R231-S305 PolarHBondContact NH2-OG 2.93Å
232S63.5Low72.1Confident33 Ų3395.6 Ų95.623%0.23142%0.42CS..Hα-helixtrans-77.2-29.2-178.9-51.40000112.3L235 I236 T322S232-L235 PolarHBondContact O-N 2.99Å; S232-I236 WeakPolarHBondContact O-CG1 3.34Å; S232-I236 PolarHBondContact O-N 3.03Å; S232-I236 VanDerWaalsContact O-N 3.1Å; S232-T322 WeakPolarHBondContact OG-CG2 3.49Å
233E71.6Confident72.7Confident39 Ų3985.3 Ų85.318%0.18238%0.381CS..Hα-helixtrans-64.8-44.2172.2-68.8169.8-173.200111I221 L235 I236 L237I221-E233 VanDerWaalsContact CD1-OE1 3.26Å; I221-E233 WeakPolarHBondContact CD1-OE1 3.48Å; I221-E233 VanDerWaalsContact CD1-OE2 3.22Å; I221-E233 WeakPolarHBondContact CD1-OE2 3.47Å; E233-L235 VanDerWaalsContact C-N 3.31Å; E233-L235 PolarHBondContact O-N 3.04Å; E233-I236 PolarHBondContact O-N 2.77Å; E233-L237 VanDerWaalsContact O-CB 3.25Å; E233-L237 WeakPolarHBondContact O-CB 3.29Å; E233-L237 PolarHBondContact O-N 2.9Å
234K78.6Confident73.4Confident144 Ų14479.7 Ų79.763%0.62636%0.358SS*.Hα-helixtrans-59.4-39.1174.1-77.2-177172.8-175.40112.7I230 A238I230-K234 HydrophobicContact CG2-CD 3.81Å; I230-K234 VanDerWaalsContact CG2-CE 3.43Å; I230-K234 HydrophobicContact CG2-CG 3.98Å; I230-K234 WeakPolarHBondContact O-CG 3.29Å; I230-K234 PolarHBondContact O-N 3.08Å; I230-K234 VanDerWaalsContact O-N 3.16Å; K234-A238 VanDerWaalsContact O-CB 3.32Å; K234-A238 WeakPolarHBondContact O-CB 3.34Å; K234-A238 PolarHBondContact O-N 3.31Å
235L81.2Confident74.7Confident16 Ų1682.7 Ų82.78%0.08437%0.371CS..Hα-helixtrans-65.6-50.4176.7173.857.5000111.7R231 S232 E233 L237 A238 I239 L298 Y299 A302 L318 F319R231-L235 PolarHBondContact O-N 3.21Å; S232-L235 PolarHBondContact O-N 2.99Å; E233-L235 VanDerWaalsContact C-N 3.31Å; E233-L235 PolarHBondContact O-N 3.04Å; L235-L237 VanDerWaalsContact C-N 3.3Å; L235-L237 PolarHBondContact O-N 3.18Å; L235-A238 WeakPolarHBondContact O-CB 3.4Å; L235-A238 PolarHBondContact O-N 3.07Å; L235-A238 VanDerWaalsContact O-N 3.14Å; L235-I239 HydrophobicContact CD1-CD1 4.18Å; L235-I239 HydrophobicContact CD1-CG1 4.3Å; L235-I239 HydrophobicContact CG-CD1 4.16Å; L235-I239 WeakPolarHBondContact O-CG1 3.47Å; L235-I239 PolarHBondContact O-N 3.49Å; L235-L298 HydrophobicContact CD1-CB 4.22Å; L235-Y299 HydrophobicContact CD1-CD1 4.17Å; L235-Y299 HydrophobicContact CD2-CD1 4.25Å; L235-A302 HydrophobicContact CB-CB 4.27Å; L235-A302 HydrophobicContact CD1-CB 3.75Å; L235-A302 HydrophobicContact CD2-CB 3.84Å; L235-A302 HydrophobicContact CG-CB 4.15Å; L235-L318 HydrophobicContact CD2-CD2 4.28Å; L235-F319 HydrophobicContact CD2-CE1 3.82Å; L235-F319 HydrophobicContact CD2-CZ 4.45Å
236I80.1Confident76.4Confident10 Ų1073 Ų735%0.05134%0.336CS..Hα-helixtrans-67-37.1-178-57.9168000110.2R127 Y214 S232 E233 A238 I239 V240R127-I236 HydrophobicContact CG-CD1 3.44Å; R127-I236 VanDerWaalsContact CG-CD1 3.44Å; Y214-I236 VanDerWaalsContact OH-CB 3.24Å; Y214-I236 WeakPolarHBondContact OH-CB 3.32Å; Y214-I236 WeakPolarHBondContact OH-CG2 3.36Å; S232-I236 WeakPolarHBondContact O-CG1 3.34Å; S232-I236 PolarHBondContact O-N 3.03Å; S232-I236 VanDerWaalsContact O-N 3.1Å; E233-I236 PolarHBondContact O-N 2.77Å; I236-A238 VanDerWaalsContact C-N 3.32Å; I236-A238 PolarHBondContact O-N 3.02Å; I236-I239 WeakPolarHBondContact O-CB 3.39Å; I236-I239 PolarHBondContact O-N 3.12Å; I236-V240 WeakPolarHBondContact O-CG2 3.33Å; I236-V240 PolarHBondContact O-N 2.7Å
237L84.4Confident78.2Confident81 Ų8167.1 Ų67.142%0.42431%0.31SS..Hα-helixtrans-61.8-41.7173.2-177.365000111.3Y214 E233 L235 I239 V240 V241Y214-L237 HydrophobicContact CD1-CD1 4.31Å; Y214-L237 HydrophobicContact CE1-CB 4.07Å; Y214-L237 HydrophobicContact CE1-CD1 4.16Å; Y214-L237 PolarHBondContact OH-N 3.3Å; E233-L237 VanDerWaalsContact O-CB 3.25Å; E233-L237 WeakPolarHBondContact O-CB 3.29Å; E233-L237 PolarHBondContact O-N 2.9Å; L235-L237 VanDerWaalsContact C-N 3.3Å; L235-L237 PolarHBondContact O-N 3.18Å; L237-I239 VanDerWaalsContact C-N 3.35Å; L237-I239 PolarHBondContact O-N 3.11Å; L237-V240 PolarHBondContact O-N 3.23Å; L237-V241 HydrophobicContact CD1-CG2 4.26Å; L237-V241 HydrophobicContact CG-CG2 4.39Å; L237-V241 WeakPolarHBondContact O-CB 3.17Å; L237-V241 VanDerWaalsContact O-CG2 3.29Å; L237-V241 WeakPolarHBondContact O-CG2 3.23Å; L237-V241 PolarHBondContact O-N 2.85Å
238A87.6Confident80.1Confident34 Ų3459.6 Ų59.628%0.28129%0.286SS..Hα-helixtrans-60.5-44.1174.500000111.4K234 L235 I236 V240 V241 T242 L298K234-A238 VanDerWaalsContact O-CB 3.32Å; K234-A238 WeakPolarHBondContact O-CB 3.34Å; K234-A238 PolarHBondContact O-N 3.31Å; L235-A238 WeakPolarHBondContact O-CB 3.4Å; L235-A238 PolarHBondContact O-N 3.07Å; L235-A238 VanDerWaalsContact O-N 3.14Å; I236-A238 VanDerWaalsContact C-N 3.32Å; I236-A238 PolarHBondContact O-N 3.02Å; A238-V240 PolarHBondContact O-N 3.32Å; A238-V241 PolarHBondContact O-N 3.21Å; A238-T242 VanDerWaalsContact O-CB 3.23Å; A238-T242 WeakPolarHBondContact O-CB 3.43Å; A238-T242 PolarHBondContact O-N 3.16Å; A238-T242 PolarHBondContact O-OG1 3.42Å; A238-L298 HydrophobicContact CB-CD2 4.22Å
239I87.6Confident82.1Confident2 Ų250.9 Ų50.91%0.0126%0.258CS..Hα-helixtrans-58.9-48.3175.9-63.9163.9000110.9I120 L235 I236 L237 V241 T242 F243 L298 Y299I120-I239 HydrophobicContact CD1-CG2 3.97Å; I120-I239 HydrophobicContact CG1-CG2 4.01Å; L235-I239 HydrophobicContact CD1-CD1 4.18Å; L235-I239 HydrophobicContact CD1-CG1 4.3Å; L235-I239 HydrophobicContact CG-CD1 4.16Å; L235-I239 WeakPolarHBondContact O-CG1 3.47Å; L235-I239 PolarHBondContact O-N 3.49Å; I236-I239 WeakPolarHBondContact O-CB 3.39Å; I236-I239 PolarHBondContact O-N 3.12Å; L237-I239 VanDerWaalsContact C-N 3.35Å; L237-I239 PolarHBondContact O-N 3.11Å; I239-V241 PolarHBondContact O-N 3.04Å; I239-T242 PolarHBondContact O-N 2.69Å; I239-F243 VanDerWaalsContact O-CB 3.3Å; I239-F243 WeakPolarHBondContact O-CB 3.26Å; I239-F243 PolarHBondContact O-N 3.36Å; I239-L298 HydrophobicContact CB-CD1 4.46Å; I239-L298 HydrophobicContact CG1-CD1 3.92Å; I239-Y299 HydrophobicContact CD1-CD1 4.45Å; I239-Y299 HydrophobicContact CD1-CE1 3.57Å; I239-Y299 HydrophobicContact CG1-CE1 4.39Å
240V88.3Confident83.9Confident13 Ų1348 Ų488%0.07925%0.247CC..Hα-helixtrans-59-48.9178.5168.20000111.5I120 Y207 I210 Y214 I236 L237 A238 F243 C244I120-V240 HydrophobicContact CG2-CG2 3.53Å; Y207-V240 HydrophobicContact CE1-CG1 4.4Å; I210-V240 HydrophobicContact CG2-CB 4.39Å; I210-V240 HydrophobicContact CG2-CG1 3.61Å; I210-V240 HydrophobicContact CG2-CG2 3.82Å; Y214-V240 HydrophobicContact CE2-CG2 4.09Å; I236-V240 WeakPolarHBondContact O-CG2 3.33Å; I236-V240 PolarHBondContact O-N 2.7Å; L237-V240 PolarHBondContact O-N 3.23Å; A238-V240 PolarHBondContact O-N 3.32Å; V240-F243 PolarHBondContact O-N 2.86Å; V240-C244 WeakPolarHBondContact O-CB 3Å; V240-C244 PolarHBondContact O-N 3.34Å
241V90.7Very high85.7Confident69 Ų6943.8 Ų43.842%0.41823%0.226SC..Hα-helixtrans-65.2-46.4-178.6170.40000110.2L237 A238 I239 F243 C244 L245L237-V241 HydrophobicContact CD1-CG2 4.26Å; L237-V241 HydrophobicContact CG-CG2 4.39Å; L237-V241 WeakPolarHBondContact O-CB 3.17Å; L237-V241 VanDerWaalsContact O-CG2 3.29Å; L237-V241 WeakPolarHBondContact O-CG2 3.23Å; L237-V241 PolarHBondContact O-N 2.85Å; A238-V241 PolarHBondContact O-N 3.21Å; I239-V241 PolarHBondContact O-N 3.04Å; V241-F243 PolarHBondContact O-N 2.96Å; V241-C244 WeakPolarHBondContact O-CB 3.37Å; V241-C244 PolarHBondContact O-N 2.93Å; V241-L245 HydrophobicContact CG1-CD1 3.82Å; V241-L245 HydrophobicContact CG1-CG 4.24Å; V241-L245 VanDerWaalsContact O-CG 3.27Å; V241-L245 WeakPolarHBondContact O-CG 3.28Å; V241-L245 PolarHBondContact O-N 3.45Å
242T90.8Very high87.3Confident27 Ų2742.1 Ų42.117%0.16623%0.225CC..Hα-helixtrans-61.3-43.8177.9-64.90000111.8A238 I239 C244 L245 F246 A294 L298A238-T242 VanDerWaalsContact O-CB 3.23Å; A238-T242 WeakPolarHBondContact O-CB 3.43Å; A238-T242 PolarHBondContact O-N 3.16Å; A238-T242 PolarHBondContact O-OG1 3.42Å; I239-T242 PolarHBondContact O-N 2.69Å; T242-C244 VanDerWaalsContact C-N 3.33Å; T242-C244 PolarHBondContact O-N 3.29Å; T242-L245 PolarHBondContact O-N 3.5Å; T242-F246 HydrophobicContact CG2-CD2 3.62Å; T242-F246 HydrophobicContact CG2-CE2 3.35Å; T242-F246 HydrophobicContact CG2-CZ 4.47Å; T242-F246 WeakPolarHBondContact O-CD2 3.2Å; T242-F246 PolarHBondContact O-N 3.21Å; T242-F246 VanDerWaalsContact O-N 3.15Å; T242-A294 HydrophobicContact CG2-CB 3.66Å; T242-L298 HydrophobicContact CG2-CD1 4.22Å
243F89.2Confident88.8Confident3 Ų341 Ų411%0.01322%0.216CC..Hα-helixtrans-61.7-42.7175.1-165.7-93.1000110.7I117 I120 Y207 I239 V240 V241 F246 W247I117-F243 HydrophobicContact CB-CD1 4.49Å; I117-F243 HydrophobicContact CB-CE1 3.62Å; I117-F243 HydrophobicContact CB-CZ 3.93Å; I117-F243 HydrophobicContact CD1-CD1 3.66Å; I117-F243 HydrophobicContact CD1-CE1 3.59Å; I117-F243 HydrophobicContact CG1-CE1 4Å; I120-F243 HydrophobicContact CD1-CB 3.85Å; I120-F243 HydrophobicContact CD1-CD1 4.1Å; I120-F243 HydrophobicContact CD1-CD2 3.62Å; I120-F243 HydrophobicContact CD1-CE2 4.19Å; I120-F243 HydrophobicContact CD1-CG 3.58Å; Y207-F243 VanDerWaalsContact OH-CD1 3.23Å; Y207-F243 WeakPolarHBondContact OH-CD1 3.22Å; I239-F243 VanDerWaalsContact O-CB 3.3Å; I239-F243 WeakPolarHBondContact O-CB 3.26Å; I239-F243 PolarHBondContact O-N 3.36Å; V240-F243 PolarHBondContact O-N 2.86Å; V241-F243 PolarHBondContact O-N 2.96Å; F243-F246 PolarHBondContact O-N 3.25Å; F243-W247 AromaticContact CD1-CD1 3.7Å; F243-W247 HydrophobicContact CD1-CG 4.32Å; F243-W247 AromaticContact CD2-CD1 3.61Å; F243-W247 AromaticContact CD2-NE1 3.66Å; F243-W247 HydrophobicContact CE1-CB 4.41Å; F243-W247 AromaticContact CE1-CD1 3.46Å; F243-W247 VanDerWaalsContact CE1-CD1 3.46Å; F243-W247 AromaticContact CE1-CG 3.87Å; F243-W247 HydrophobicContact CE1-CG 3.87Å; F243-W247 AromaticContact CE1-NE1 3.88Å; F243-W247 AromaticContact CE2-CD1 3.43Å; F243-W247 VanDerWaalsContact CE2-CD1 3.43Å; F243-W247 HydrophobicContact CE2-CG 4.44Å; F243-W247 AromaticContact CE2-NE1 3.12Å; F243-W247 AromaticContact CG-CD1 3.75Å; F243-W247 AromaticContact CZ-CD1 3.34Å; F243-W247 HydrophobicContact CZ-CD2 4.24Å; F243-W247 AromaticContact CZ-CE2 3.82Å; F243-W247 AromaticContact CZ-CG 3.96Å; F243-W247 HydrophobicContact CZ-CG 3.96Å; F243-W247 AromaticContact CZ-NE1 3.23Å; F243-W247 WeakPolarHBondContact O-CB 3.34Å; F243-W247 VanDerWaalsContact O-CD1 3.27Å; F243-W247 PolarHBondContact O-N 3.36Å
244C91.5Very high89.8Confident32 Ų3239.2 Ų39.222%0.21621%0.208CC..Hα-helixtrans-59-50174.4-166.10000112.9Y207 V240 V241 T242 F246 W247 L248Y207-C244 HydrophobicContact CE1-CB 3.62Å; Y207-C244 WeakPolarHBondContact OH-CA 3.49Å; Y207-C244 WeakPolarHBondContact OH-CB 3.49Å; Y207-C244 PolarHBondContact OH-N 3.07Å; V240-C244 WeakPolarHBondContact O-CB 3Å; V240-C244 PolarHBondContact O-N 3.34Å; V241-C244 WeakPolarHBondContact O-CB 3.37Å; V241-C244 PolarHBondContact O-N 2.93Å; T242-C244 VanDerWaalsContact C-N 3.33Å; T242-C244 PolarHBondContact O-N 3.29Å; C244-F246 VanDerWaalsContact C-N 3.25Å; C244-F246 PolarHBondContact O-N 3.19Å; C244-W247 PolarHBondContact O-N 2.99Å; C244-L248 WeakPolarHBondContact O-CA 3.46Å; C244-L248 WeakPolarHBondContact O-CB 3.22Å; C244-L248 PolarHBondContact O-N 2.83Å
245L93.4Very high90.5Very high111 Ų11136.2 Ų36.258%0.58120%0.197SC*.Hα-helixtrans-60.2-37.5-177.6-70171.1000112.2V241 T242 P249V241-L245 HydrophobicContact CG1-CD1 3.82Å; V241-L245 HydrophobicContact CG1-CG 4.24Å; V241-L245 VanDerWaalsContact O-CG 3.27Å; V241-L245 WeakPolarHBondContact O-CG 3.28Å; V241-L245 PolarHBondContact O-N 3.45Å; T242-L245 PolarHBondContact O-N 3.5Å; L245-P249 VanDerWaalsContact O-CD 3.31Å; L245-P249 WeakPolarHBondContact O-CD 3.35Å
246F93.6Very high91.1Very high53 Ų5336.9 Ų36.923%0.23220%0.202CC..Hα-helixtrans-82.3-31.8-179.6-68.4-48.2000114T242 F243 C244 I287 I290 A294T242-F246 HydrophobicContact CG2-CD2 3.62Å; T242-F246 HydrophobicContact CG2-CE2 3.35Å; T242-F246 HydrophobicContact CG2-CZ 4.47Å; T242-F246 WeakPolarHBondContact O-CD2 3.2Å; T242-F246 PolarHBondContact O-N 3.21Å; T242-F246 VanDerWaalsContact O-N 3.15Å; F243-F246 PolarHBondContact O-N 3.25Å; C244-F246 VanDerWaalsContact C-N 3.25Å; C244-F246 PolarHBondContact O-N 3.19Å; F246-I287 HydrophobicContact CB-CG2 4.45Å; F246-I287 HydrophobicContact CD1-CG2 3.82Å; F246-I290 HydrophobicContact CD1-CB 4.22Å; F246-I290 HydrophobicContact CD1-CG2 4.34Å; F246-I290 HydrophobicContact CE1-CB 4.1Å; F246-I290 HydrophobicContact CE1-CG2 3.76Å; F246-I290 HydrophobicContact CE2-CG2 3.92Å; F246-I290 HydrophobicContact CZ-CB 4.26Å; F246-I290 HydrophobicContact CZ-CG2 3.52Å; F246-A294 HydrophobicContact CD2-CB 4.49Å; F246-A294 HydrophobicContact CE2-CB 3.84Å
247W92.8Very high91.6Very high13 Ų1336.9 Ų36.95%0.04920%0.202CC..Hα-helixtrans-92.6-23.8-179-76.993.6000114.4M113 F243 C244 Y250 H251 A288 S291M113-W247 HydrophobicContact CB-CH2 3.43Å; M113-W247 VanDerWaalsContact CB-CH2 3.43Å; M113-W247 HydrophobicContact CB-CZ2 3.89Å; M113-W247 HydrophobicContact CB-CZ3 3.86Å; M113-W247 HydrophobicContact CG-CD2 4.12Å; M113-W247 HydrophobicContact CG-CE3 3.68Å; M113-W247 HydrophobicContact CG-CH2 3.38Å; M113-W247 HydrophobicContact CG-CZ2 3.81Å; M113-W247 HydrophobicContact CG-CZ3 3.31Å; M113-W247 HydrophobicContact SD-CE3 3.64Å; M113-W247 HydrophobicContact SD-CH2 3.88Å; M113-W247 HydrophobicContact SD-CZ3 3.22Å; M113-W247 WeakPolarHBondContact SD-CZ3 3.44Å; F243-W247 AromaticContact CD1-CD1 3.7Å; F243-W247 HydrophobicContact CD1-CG 4.32Å; F243-W247 AromaticContact CD2-CD1 3.61Å; F243-W247 AromaticContact CD2-NE1 3.66Å; F243-W247 HydrophobicContact CE1-CB 4.41Å; F243-W247 AromaticContact CE1-CD1 3.46Å; F243-W247 VanDerWaalsContact CE1-CD1 3.46Å; F243-W247 AromaticContact CE1-CG 3.87Å; F243-W247 HydrophobicContact CE1-CG 3.87Å; F243-W247 AromaticContact CE1-NE1 3.88Å; F243-W247 AromaticContact CE2-CD1 3.43Å; F243-W247 VanDerWaalsContact CE2-CD1 3.43Å; F243-W247 HydrophobicContact CE2-CG 4.44Å; F243-W247 AromaticContact CE2-NE1 3.12Å; F243-W247 AromaticContact CG-CD1 3.75Å; F243-W247 AromaticContact CZ-CD1 3.34Å; F243-W247 HydrophobicContact CZ-CD2 4.24Å; F243-W247 AromaticContact CZ-CE2 3.82Å; F243-W247 AromaticContact CZ-CG 3.96Å; F243-W247 HydrophobicContact CZ-CG 3.96Å; F243-W247 AromaticContact CZ-NE1 3.23Å; F243-W247 WeakPolarHBondContact O-CB 3.34Å; F243-W247 VanDerWaalsContact O-CD1 3.27Å; F243-W247 PolarHBondContact O-N 3.36Å; C244-W247 PolarHBondContact O-N 2.99Å; W247-Y250 HydrophobicContact CE3-CD1 4.09Å; W247-Y250 HydrophobicContact CE3-CG 4.2Å; W247-Y250 HydrophobicContact CZ3-CD1 4.14Å; W247-Y250 HydrophobicContact CZ3-CD2 4.48Å; W247-Y250 HydrophobicContact CZ3-CE1 4.41Å; W247-Y250 HydrophobicContact CZ3-CG 4.23Å; W247-Y250 WeakPolarHBondContact O-CB 3.32Å; W247-Y250 PolarHBondContact O-N 3.28Å; W247-Y250 VanDerWaalsContact O-N 3.09Å; W247-H251 PolarHBondContact O-CD2 3.34Å; W247-H251 VanDerWaalsContact O-CD2 3.23Å; W247-H251 PolarHBondContact O-N 3.41Å; W247-A288 HydrophobicContact CD2-CB 3.94Å; W247-A288 HydrophobicContact CE3-CB 3.83Å; W247-A288 HydrophobicContact CH2-CB 3.93Å; W247-A288 HydrophobicContact CZ2-CB 4.06Å; W247-A288 HydrophobicContact CZ3-CB 3.81Å; W247-S291 PolarHBondContact NE1-OG 2.93Å
248L93Very high92Very high63 Ų6333.5 Ų33.533%0.3318%0.184SC..Hα-helixtrans-54.9-45.7179.5176.367.4000112.9F203 C244 Y250 H251 I252F203-L248 HydrophobicContact CE1-CD1 4.43Å; F203-L248 HydrophobicContact CE2-CD1 4.06Å; F203-L248 HydrophobicContact CZ-CD1 3.65Å; C244-L248 WeakPolarHBondContact O-CA 3.46Å; C244-L248 WeakPolarHBondContact O-CB 3.22Å; C244-L248 PolarHBondContact O-N 2.83Å; L248-Y250 VanDerWaalsContact C-N 3.28Å; L248-Y250 PolarHBondContact O-N 2.86Å; L248-H251 PolarHBondContact O-N 2.82Å; L248-I252 HydrophobicContact CD1-CD1 4.1Å; L248-I252 HydrophobicContact CD1-CG1 4.19Å; L248-I252 HydrophobicContact CG-CD1 3.87Å; L248-I252 HydrophobicContact CG-CG1 4.4Å; L248-I252 WeakPolarHBondContact O-CG1 3.4Å; L248-I252 PolarHBondContact O-N 2.93Å
249P94Very high92.2Very high37 Ų3733.8 Ų33.824%0.2419%0.186CC..Hα-helixtrans-59.2-38.9177.3-23.734.8000112.7L245 I252 I253 T284L245-P249 VanDerWaalsContact O-CD 3.31Å; L245-P249 WeakPolarHBondContact O-CD 3.35Å; P249-I252 PolarHBondContact O-N 3.33Å; P249-I253 WeakPolarHBondContact O-CG1 3.45Å; P249-I253 PolarHBondContact O-N 3.35Å; P249-T284 HydrophobicContact CB-CG2 3.68Å
250Y93.3Very high92.4Very high24 Ų2434 Ų349%0.09419%0.188CC..Hα-helixtrans-62.9-47.7176.7176.6-83.3000111M113 E198 W247 L248 I252 I253 N254 R281M113-Y250 HydrophobicContact SD-CE1 4.17Å; E198-Y250 PolarHBondContact OE2-OH 3.48Å; W247-Y250 HydrophobicContact CE3-CD1 4.09Å; W247-Y250 HydrophobicContact CE3-CG 4.2Å; W247-Y250 HydrophobicContact CZ3-CD1 4.14Å; W247-Y250 HydrophobicContact CZ3-CD2 4.48Å; W247-Y250 HydrophobicContact CZ3-CE1 4.41Å; W247-Y250 HydrophobicContact CZ3-CG 4.23Å; W247-Y250 WeakPolarHBondContact O-CB 3.32Å; W247-Y250 PolarHBondContact O-N 3.28Å; W247-Y250 VanDerWaalsContact O-N 3.09Å; L248-Y250 VanDerWaalsContact C-N 3.28Å; L248-Y250 PolarHBondContact O-N 2.86Å; Y250-I252 VanDerWaalsContact C-N 3.34Å; Y250-I252 PolarHBondContact O-N 2.72Å; Y250-I253 PolarHBondContact O-N 2.67Å; Y250-I253 VanDerWaalsContact O-N 3.16Å; Y250-N254 VanDerWaalsContact CE1-ND2 3.3Å; Y250-N254 WeakPolarHBondContact CE1-ND2 3.26Å; Y250-N254 PolarHBondContact O-N 3.05Å; Y250-N254 PolarHBondContact O-OD1 2.89Å; Y250-R281 VanDerWaalsContact CD2-NH1 3.26Å; Y250-R281 VanDerWaalsContact CZ-NH1 3.3Å; Y250-R281 PolarHBondContact OH-NH2 3.25Å
251H94Very high92.5Very high0 Ų033.9 Ų33.90%019%0.188CC..Hα-helixtrans-67.2-32.9179.4-69.7-62.9000113.2F203 W247 L248 I253 N254 M255F203-H251 HydrophobicContact CD2-CB 4.39Å; F203-H251 AromaticContact CD2-CD2 3.41Å; F203-H251 VanDerWaalsContact CD2-CD2 3.41Å; F203-H251 WeakPolarHBondContact CD2-CD2 3.33Å; F203-H251 AromaticContact CD2-CG 3.99Å; F203-H251 HydrophobicContact CG-CB 4.4Å; F203-H251 AromaticContact CG-CD2 3.89Å; W247-H251 PolarHBondContact O-CD2 3.34Å; W247-H251 VanDerWaalsContact O-CD2 3.23Å; W247-H251 PolarHBondContact O-N 3.41Å; L248-H251 PolarHBondContact O-N 2.82Å; H251-I253 VanDerWaalsContact C-N 3.32Å; H251-I253 PolarHBondContact O-N 2.97Å; H251-N254 WeakPolarHBondContact O-CB 3.26Å; H251-N254 PolarHBondContact O-N 3.37Å; H251-M255 WeakPolarHBondContact O-CG 3.34Å; H251-M255 PolarHBondContact O-N 3.48Å
252I94.6Very high92.5Very high80 Ų8036.5 Ų36.541%0.4120%0.199SC..Hα-helixtrans-60.8-44.1171.9-69.9167.3000110.3L248 P249 Y250 N254 M255 V256L248-I252 HydrophobicContact CD1-CD1 4.1Å; L248-I252 HydrophobicContact CD1-CG1 4.19Å; L248-I252 HydrophobicContact CG-CD1 3.87Å; L248-I252 HydrophobicContact CG-CG1 4.4Å; L248-I252 WeakPolarHBondContact O-CG1 3.4Å; L248-I252 PolarHBondContact O-N 2.93Å; P249-I252 PolarHBondContact O-N 3.33Å; Y250-I252 VanDerWaalsContact C-N 3.34Å; Y250-I252 PolarHBondContact O-N 2.72Å; I252-N254 VanDerWaalsContact C-N 3.34Å; I252-N254 PolarHBondContact O-N 2.87Å; I252-M255 WeakPolarHBondContact O-CB 3.1Å; I252-M255 PolarHBondContact O-N 3.14Å; I252-M255 VanDerWaalsContact O-N 3.16Å; I252-V256 WeakPolarHBondContact O-CG2 3.46Å; I252-V256 PolarHBondContact O-N 3.09Å
253I93.6Very high92.5Very high11 Ų1137.7 Ų37.76%0.05620%0.204CC..Hα-helixtrans-64.6-38.8177.1-64.7-54.7000111.5P249 Y250 H251 M255 V256 Q257 W277 F280 T284P249-I253 WeakPolarHBondContact O-CG1 3.45Å; P249-I253 PolarHBondContact O-N 3.35Å; Y250-I253 PolarHBondContact O-N 2.67Å; Y250-I253 VanDerWaalsContact O-N 3.16Å; H251-I253 VanDerWaalsContact C-N 3.32Å; H251-I253 PolarHBondContact O-N 2.97Å; I253-M255 VanDerWaalsContact C-N 3.33Å; I253-M255 PolarHBondContact O-N 2.85Å; I253-V256 PolarHBondContact O-N 3.26Å; I253-Q257 WeakPolarHBondContact O-CB 3.4Å; I253-Q257 PolarHBondContact O-N 3.02Å; I253-W277 HydrophobicContact CG2-CB 3.82Å; I253-F280 HydrophobicContact CD1-CB 3.63Å; I253-F280 HydrophobicContact CD1-CG 4.48Å; I253-F280 HydrophobicContact CG1-CB 4.16Å; I253-T284 HydrophobicContact CG1-CG2 3.75Å
254N93.4Very high92.3Very high0 Ų042 Ų420%023%0.233CC..Hα-helixtrans-60.6-41.8171.9-73.813.6000111.6Y195 E198 I199 Y250 H251 I252 V256 Q257 V258Y195-N254 HydrophobicContact CD1-CB 4.4Å; E198-N254 PolarHBondContact OE2-ND2 3.48Å; I199-N254 HydrophobicContact CD1-CB 3.95Å; I199-N254 HydrophobicContact CG1-CB 3.96Å; Y250-N254 VanDerWaalsContact CE1-ND2 3.3Å; Y250-N254 WeakPolarHBondContact CE1-ND2 3.26Å; Y250-N254 PolarHBondContact O-N 3.05Å; Y250-N254 PolarHBondContact O-OD1 2.89Å; H251-N254 WeakPolarHBondContact O-CB 3.26Å; H251-N254 PolarHBondContact O-N 3.37Å; I252-N254 VanDerWaalsContact C-N 3.34Å; I252-N254 PolarHBondContact O-N 2.87Å; N254-V256 VanDerWaalsContact C-N 3.35Å; N254-V256 PolarHBondContact O-N 2.99Å; N254-Q257 WeakPolarHBondContact O-CB 3.48Å; N254-Q257 PolarHBondContact O-N 2.92Å; N254-V258 WeakPolarHBondContact O-CG2 3.28Å; N254-V258 PolarHBondContact O-N 3.2Å
255M94Very high91.7Very high82 Ų8247.7 Ų47.740%0.40426%0.256SS..Hα-helixtrans-62.7-41.4176.2-68.5172.7-161.900111.8I199 H251 I252 I253 Q257 V258 A259I199-M255 HydrophobicContact CD1-CB 4.4Å; I199-M255 HydrophobicContact CD1-CG 3.67Å; I199-M255 HydrophobicContact CG1-CG 4.36Å; I199-M255 HydrophobicContact CG2-CE 4.12Å; H251-M255 WeakPolarHBondContact O-CG 3.34Å; H251-M255 PolarHBondContact O-N 3.48Å; I252-M255 WeakPolarHBondContact O-CB 3.1Å; I252-M255 PolarHBondContact O-N 3.14Å; I252-M255 VanDerWaalsContact O-N 3.16Å; I253-M255 VanDerWaalsContact C-N 3.33Å; I253-M255 PolarHBondContact O-N 2.85Å; M255-Q257 VanDerWaalsContact C-N 3.31Å; M255-Q257 PolarHBondContact O-N 3.2Å; M255-V258 PolarHBondContact O-N 3.44Å; M255-A259 WeakPolarHBondContact O-CB 3.34Å; M255-A259 PolarHBondContact O-N 3.34Å
256V93.4Very high91Very high30 Ų3046.6 Ų46.618%0.18226%0.257CS..Hα-helixtrans-62.4-40.5175.1173.20000110.9I252 I253 N254 A259 S260 L273 I276 W277I252-V256 WeakPolarHBondContact O-CG2 3.46Å; I252-V256 PolarHBondContact O-N 3.09Å; I253-V256 PolarHBondContact O-N 3.26Å; N254-V256 VanDerWaalsContact C-N 3.35Å; N254-V256 PolarHBondContact O-N 2.99Å; V256-A259 PolarHBondContact O-N 3.31Å; V256-S260 WeakPolarHBondContact O-CB 3.32Å; V256-S260 PolarHBondContact O-N 2.93Å; V256-L273 HydrophobicContact CG1-CB 3.98Å; V256-L273 HydrophobicContact CG1-CD2 4.34Å; V256-L273 HydrophobicContact CG1-CG 3.93Å; V256-I276 HydrophobicContact CG1-CG2 4.39Å; V256-W277 HydrophobicContact CG1-CB 4.08Å
257Q91.3Very high90.8Very high10 Ų1045.2 Ų45.25%0.04725%0.254CS..Hα-helixtrans-65.3-45.4178.1-168.4169.75.200111.6V191 Y195 I253 N254 M255 S260 A261 W277V191-Q257 HydrophobicContact CG1-CG 3.94Å; Y195-Q257 HydrophobicContact CD2-CG 4.08Å; Y195-Q257 HydrophobicContact CE2-CG 4.03Å; Y195-Q257 PolarHBondContact OH-NE2 3.09Å; I253-Q257 WeakPolarHBondContact O-CB 3.4Å; I253-Q257 PolarHBondContact O-N 3.02Å; N254-Q257 WeakPolarHBondContact O-CB 3.48Å; N254-Q257 PolarHBondContact O-N 2.92Å; M255-Q257 VanDerWaalsContact C-N 3.31Å; M255-Q257 PolarHBondContact O-N 3.2Å; Q257-S260 PolarHBondContact O-N 2.8Å; Q257-S260 PolarHBondContact O-OG 3.45Å; Q257-A261 PolarHBondContact O-N 3.02Å; Q257-A261 VanDerWaalsContact O-N 3.14Å; Q257-W277 HydrophobicContact CB-CG 4.3Å; Q257-W277 HydrophobicContact CG-CD2 4.28Å; Q257-W277 HydrophobicContact CG-CG 4.45Å
258V92.1Very high90.6Very high9 Ų949.8 Ų49.86%0.05529%0.285CS..Hα-helixtrans-59.6-47.7173172.60000111V192 M196 I199 N254 M255 S260 A261 L262V192-V258 HydrophobicContact CG1-CG1 4.23Å; V192-V258 HydrophobicContact CG2-CG1 4.35Å; M196-V258 HydrophobicContact CG-CG1 3.94Å; M196-V258 HydrophobicContact CG-CG2 4Å; M196-V258 HydrophobicContact SD-CG1 3.84Å; M196-V258 HydrophobicContact SD-CG2 4.19Å; I199-V258 HydrophobicContact CD1-CG2 4.33Å; N254-V258 WeakPolarHBondContact O-CG2 3.28Å; N254-V258 PolarHBondContact O-N 3.2Å; M255-V258 PolarHBondContact O-N 3.44Å; V258-S260 VanDerWaalsContact C-N 3.26Å; V258-S260 PolarHBondContact O-N 3.32Å; V258-A261 PolarHBondContact O-N 3.42Å; V258-A261 VanDerWaalsContact O-N 3.13Å; V258-L262 HydrophobicContact CG1-CD1 4.08Å; V258-L262 HydrophobicContact CG1-CG 4.48Å; V258-L262 WeakPolarHBondContact O-CG 3.26Å; V258-L262 PolarHBondContact O-N 3.13Å; V258-L262 VanDerWaalsContact O-N 3.12Å
259A92.6Very high90.5Very high40 Ų4053.8 Ų53.833%0.33130%0.3SS..Hα-helixtrans-60.7-36.3178.800000112.1M255 V256 L262 L263 L273M255-A259 WeakPolarHBondContact O-CB 3.34Å; M255-A259 PolarHBondContact O-N 3.34Å; V256-A259 PolarHBondContact O-N 3.31Å; A259-L262 PolarHBondContact O-N 3.05Å; A259-L263 WeakPolarHBondContact O-CG 3.48Å; A259-L273 HydrophobicContact CB-CD2 3.83Å
260S91.1Very high90.3Very high7 Ų753.5 Ų53.55%0.04929%0.294CS..Hα-helixtrans-65.8-37.3175.974.70000112.9V256 Q257 V258 L263 R270V256-S260 WeakPolarHBondContact O-CB 3.32Å; V256-S260 PolarHBondContact O-N 2.93Å; Q257-S260 PolarHBondContact O-N 2.8Å; Q257-S260 PolarHBondContact O-OG 3.45Å; V258-S260 VanDerWaalsContact C-N 3.26Å; V258-S260 PolarHBondContact O-N 3.32Å; S260-L263 PolarHBondContact O-N 3.09Å; S260-R270 WeakPolarHBondContact O-CD 3.37Å; S260-R270 WeakPolarHBondContact O-CG 3.36Å
261A89.9Confident90Very high10 Ų1055 Ų558%0.08330%0.303CS..Hα-helixtrans-74.6-23.7179.300000113.2D188 V191 V192 Q257 V258 L263D188-A261 HydrophobicContact CB-CB 4.16Å; V191-A261 HydrophobicContact CB-CB 4.12Å; V191-A261 HydrophobicContact CG1-CB 3.97Å; V192-A261 HydrophobicContact CG2-CB 3.91Å; Q257-A261 PolarHBondContact O-N 3.02Å; Q257-A261 VanDerWaalsContact O-N 3.14Å; V258-A261 PolarHBondContact O-N 3.42Å; V258-A261 VanDerWaalsContact O-N 3.13Å; A261-L263 VanDerWaalsContact C-N 3.32Å
262L91.1Very high89.8Confident124 Ų12459.9 Ų59.965%0.64933%0.329SS*.THydrogen-bonded Turntrans-81.6-10.7175.4-66.6174.4000113.4V192 V258 A259V192-L262 HydrophobicContact CG2-CD2 3.9Å; V192-L262 HydrophobicContact CG2-CG 4.18Å; V258-L262 HydrophobicContact CG1-CD1 4.08Å; V258-L262 HydrophobicContact CG1-CG 4.48Å; V258-L262 WeakPolarHBondContact O-CG 3.26Å; V258-L262 PolarHBondContact O-N 3.13Å; V258-L262 VanDerWaalsContact O-N 3.12Å; A259-L262 PolarHBondContact O-N 3.05Å
263L90.1Very high89.6Confident52 Ų5257.8 Ų57.827%0.27232%0.318SS..SBendtrans-88.1148.6179.4-72.1171.3000111.4A259 S260 A261 K269 R270 L273A259-L263 WeakPolarHBondContact O-CG 3.48Å; S260-L263 PolarHBondContact O-N 3.09Å; A261-L263 VanDerWaalsContact C-N 3.32Å; L263-K269 HydrophobicContact CD1-CB 3.92Å; L263-R270 HydrophobicContact CB-CB 4.08Å; L263-R270 HydrophobicContact CD1-CB 4.32Å; L263-R270 PolarHBondContact O-NH1 3.49Å; L263-L273 HydrophobicContact CD1-CD2 4.35Å
264P86.5Confident89.3Confident93 Ų9358.9 Ų58.960%0.60432%0.323SS*.PPolyproline II helixtrans-53.6143.7175.2-24.733.3000112.4S267P264-S267 WeakPolarHBondContact O-CB 3.29Å; P264-S267 PolarHBondContact O-N 3.45Å; P264-S267 PolarHBondContact O-OG 2.63Å; P264-S267 VanDerWaalsContact O-OG 3.11Å
265E78.3Confident89Confident153 Ų15364.4 Ų64.472%0.71535%0.347SS*.THydrogen-bonded Turntrans-52.5138.9173.1-66-173-176.200110.3S267E265-S267 PolarHBondContact O-N 3.21Å
266C79.4Confident88.7Confident87 Ų8763.4 Ų63.459%0.58834%0.343SS*.THydrogen-bonded Turntrans63.511-178.9-57.10000117.3C17C17-C266 VanDerWaalsContact SG-SG 3.65Å
267S89.1Confident88.5Confident24 Ų2463.7 Ų63.717%0.16834%0.341CS..  trans-66.9138.3171.9680000111.6P264 E265 K269 R270 L271P264-S267 WeakPolarHBondContact O-CB 3.29Å; P264-S267 PolarHBondContact O-N 3.45Å; P264-S267 PolarHBondContact O-OG 2.63Å; P264-S267 VanDerWaalsContact O-OG 3.11Å; E265-S267 PolarHBondContact O-N 3.21Å; S267-K269 PolarHBondContact O-N 3.29Å; S267-K269 VanDerWaalsContact O-N 3.1Å; S267-R270 WeakPolarHBondContact O-CB 2.97Å; S267-R270 PolarHBondContact O-N 3.3Å; S267-R270 VanDerWaalsContact OG-CB 3.22Å; S267-R270 WeakPolarHBondContact OG-CB 3.36Å; S267-R270 PolarHBondContact OG-N 3.1Å; S267-L271 PolarHBondContact O-N 3.23Å
268P88.6Confident88.2Confident109 Ų10967 Ų6771%0.70836%0.355SS*.Hα-helixtrans-55.8-32.1177.8-2733.6000113.2L272P268-L272 PolarHBondContact O-N 3.19Å; P268-L272 VanDerWaalsContact O-N 3.09Å
269K89.6Confident87.7Confident148 Ų14870.8 Ų70.864%0.64337%0.371SS*.Hα-helixtrans-66-44.5175.3-67.3-177.6-179.6178.30111.9L263 S267 L271 L272 L273L263-K269 HydrophobicContact CD1-CB 3.92Å; S267-K269 PolarHBondContact O-N 3.29Å; S267-K269 VanDerWaalsContact O-N 3.1Å; K269-L271 PolarHBondContact O-N 3.14Å; K269-L272 WeakPolarHBondContact O-CB 3.47Å; K269-L272 PolarHBondContact O-N 3.23Å; K269-L273 VanDerWaalsContact O-CD1 3.22Å; K269-L273 WeakPolarHBondContact O-CD1 3.26Å; K269-L273 PolarHBondContact O-N 3.16Å
270R90.2Very high87.4Confident30 Ų3073.1 Ų73.111%0.11337%0.374CS..Hα-helixtrans-59.1-47.3176177.8171.8175.5152.82.4111D188 S260 L263 S267 L272 L273 E274D188-R270 IonicContact OD1-CZ 3.56Å; D188-R270 IonicContact OD1-NH1 2.91Å; D188-R270 IonicContact OD1-NH2 3.3Å; D188-R270 PolarHBondContact OD1-NH2 2.93Å; D188-R270 IonicContact OD2-CZ 3.96Å; D188-R270 IonicContact OD2-NH1 2.86Å; D188-R270 PolarHBondContact OD2-NH1 3.11Å; D188-R270 IonicContact OD2-NH2 3.31Å; D188-R270 PolarHBondContact OD2-NH2 3.29Å; S260-R270 WeakPolarHBondContact O-CD 3.37Å; S260-R270 WeakPolarHBondContact O-CG 3.36Å; L263-R270 HydrophobicContact CB-CB 4.08Å; L263-R270 HydrophobicContact CD1-CB 4.32Å; L263-R270 PolarHBondContact O-NH1 3.49Å; S267-R270 WeakPolarHBondContact O-CB 2.97Å; S267-R270 PolarHBondContact O-N 3.3Å; S267-R270 VanDerWaalsContact OG-CB 3.22Å; S267-R270 WeakPolarHBondContact OG-CB 3.36Å; S267-R270 PolarHBondContact OG-N 3.1Å; R270-L272 VanDerWaalsContact C-N 3.32Å; R270-L272 PolarHBondContact O-N 3.36Å; R270-L273 PolarHBondContact O-N 3.18Å; R270-E274 HydrophobicContact CG-CG 4.43Å; R270-E274 IonicContact NE-OE1 3.71Å; R270-E274 PolarHBondContact NE-OE1 2.93Å; R270-E274 WeakPolarHBondContact O-CB 3.28Å; R270-E274 WeakPolarHBondContact O-CG 2.89Å; R270-E274 PolarHBondContact O-N 3.44Å
271L87.3Confident87.3Confident55 Ų5574.3 Ų74.329%0.28838%0.377SS..Hα-helixtrans-59.4-41.3178-62.8175000112.4C17 I19 S267 K269 E274 K275C17-L271 HydrophobicContact CB-CD2 4.03Å; I19-L271 HydrophobicContact CD1-CB 4.45Å; I19-L271 HydrophobicContact CD1-CD2 3.9Å; I19-L271 HydrophobicContact CG1-CD2 4.25Å; S267-L271 PolarHBondContact O-N 3.23Å; K269-L271 PolarHBondContact O-N 3.14Å; L271-E274 PolarHBondContact O-N 3.49Å; L271-K275 WeakPolarHBondContact O-CB 3.45Å; L271-K275 PolarHBondContact O-N 2.87Å
272L90.3Very high87Confident103 Ų10376.3 Ų76.354%0.53939%0.394SS..Hα-helixtrans-62.2-50175.2-178.173.5000111.5P268 K269 R270 E274 K275 I276P268-L272 PolarHBondContact O-N 3.19Å; P268-L272 VanDerWaalsContact O-N 3.09Å; K269-L272 WeakPolarHBondContact O-CB 3.47Å; K269-L272 PolarHBondContact O-N 3.23Å; R270-L272 VanDerWaalsContact C-N 3.32Å; R270-L272 PolarHBondContact O-N 3.36Å; L272-E274 VanDerWaalsContact C-N 3.31Å; L272-E274 PolarHBondContact O-N 2.91Å; L272-K275 WeakPolarHBondContact O-CB 3.4Å; L272-K275 PolarHBondContact O-N 3.09Å; L272-I276 HydrophobicContact CG-CD1 4.02Å; L272-I276 VanDerWaalsContact O-CG1 3.29Å; L272-I276 WeakPolarHBondContact O-CG1 3.37Å; L272-I276 PolarHBondContact O-N 3.49Å
273L89.4Confident86.8Confident36 Ų3673.7 Ų73.719%0.18838%0.383CS..Hα-helixtrans-63.7-38.5179.9-89.665.3000111.4V256 A259 L263 K269 R270 I276 W277V256-L273 HydrophobicContact CG1-CB 3.98Å; V256-L273 HydrophobicContact CG1-CD2 4.34Å; V256-L273 HydrophobicContact CG1-CG 3.93Å; A259-L273 HydrophobicContact CB-CD2 3.83Å; L263-L273 HydrophobicContact CD1-CD2 4.35Å; K269-L273 VanDerWaalsContact O-CD1 3.22Å; K269-L273 WeakPolarHBondContact O-CD1 3.26Å; K269-L273 PolarHBondContact O-N 3.16Å; R270-L273 PolarHBondContact O-N 3.18Å; L273-I276 PolarHBondContact O-N 3.41Å; L273-W277 PolarHBondContact O-N 3.15Å
274E87.8Confident86.8Confident35 Ų3571.7 Ų71.716%0.16437%0.373CS..Hα-helixtrans-59.1-46.1173.7-79.9-168.2-151.400112.7I19 R270 L271 L272 I276 W277 K278I19-E274 HydrophobicContact CD1-CB 4.06Å; R270-E274 HydrophobicContact CG-CG 4.43Å; R270-E274 IonicContact NE-OE1 3.71Å; R270-E274 PolarHBondContact NE-OE1 2.93Å; R270-E274 WeakPolarHBondContact O-CB 3.28Å; R270-E274 WeakPolarHBondContact O-CG 2.89Å; R270-E274 PolarHBondContact O-N 3.44Å; L271-E274 PolarHBondContact O-N 3.49Å; L272-E274 VanDerWaalsContact C-N 3.31Å; L272-E274 PolarHBondContact O-N 2.91Å; E274-I276 VanDerWaalsContact C-N 3.3Å; E274-I276 PolarHBondContact O-N 3Å; E274-W277 VanDerWaalsContact CA-CD1 3.44Å; E274-K278 VanDerWaalsContact O-CB 3.26Å; E274-K278 WeakPolarHBondContact O-CB 3.33Å; E274-K278 WeakPolarHBondContact O-CD 3.02Å; E274-K278 VanDerWaalsContact O-CG 3.22Å; E274-K278 WeakPolarHBondContact O-CG 3.5Å; E274-K278 PolarHBondContact O-N 3.17Å; E274-K278 IonicContact OE2-NZ 2.75Å; E274-K278 PolarHBondContact OE2-NZ 3.38Å
275K86.8Confident86.9Confident116 Ų11668.8 Ų68.850%0.50435%0.354SS..Hα-helixtrans-61-41.8175.5-171.5173.8-176172.40111.1L271 L272 K279L271-K275 WeakPolarHBondContact O-CB 3.45Å; L271-K275 PolarHBondContact O-N 2.87Å; L272-K275 WeakPolarHBondContact O-CB 3.4Å; L272-K275 PolarHBondContact O-N 3.09Å; K275-K279 WeakPolarHBondContact O-CB 3.33Å; K275-K279 PolarHBondContact O-N 2.84Å; K275-K279 VanDerWaalsContact O-N 3.09Å
276I88.1Confident87.4Confident61 Ų6162.3 Ų62.331%0.31333%0.326SS..Hα-helixtrans-63.7-55.4179.4-68165000110.7V256 L272 L273 E274 K278 K279 F280V256-I276 HydrophobicContact CG1-CG2 4.39Å; L272-I276 HydrophobicContact CG-CD1 4.02Å; L272-I276 VanDerWaalsContact O-CG1 3.29Å; L272-I276 WeakPolarHBondContact O-CG1 3.37Å; L272-I276 PolarHBondContact O-N 3.49Å; L273-I276 PolarHBondContact O-N 3.41Å; E274-I276 VanDerWaalsContact C-N 3.3Å; E274-I276 PolarHBondContact O-N 3Å; I276-K278 PolarHBondContact O-N 2.83Å; I276-K279 WeakPolarHBondContact O-CB 3.5Å; I276-K279 PolarHBondContact O-N 2.99Å; I276-F280 HydrophobicContact CG2-CD2 4.04Å; I276-F280 HydrophobicContact CG2-CE2 4.42Å; I276-F280 VanDerWaalsContact O-CD2 3.29Å; I276-F280 WeakPolarHBondContact O-CD2 3.34Å; I276-F280 PolarHBondContact O-N 3.07Å; I276-F280 VanDerWaalsContact O-N 3.09Å
277W88.1Confident88Confident36 Ų3660.8 Ų60.814%0.13631%0.311CS..Hα-helixtrans-65.8-41.8-174.974.7-112.6000111.7I253 V256 Q257 L273 E274 K279 F280 R281I253-W277 HydrophobicContact CG2-CB 3.82Å; V256-W277 HydrophobicContact CG1-CB 4.08Å; Q257-W277 HydrophobicContact CB-CG 4.3Å; Q257-W277 HydrophobicContact CG-CD2 4.28Å; Q257-W277 HydrophobicContact CG-CG 4.45Å; L273-W277 PolarHBondContact O-N 3.15Å; E274-W277 VanDerWaalsContact CA-CD1 3.44Å; W277-K279 PolarHBondContact O-N 3.07Å; W277-F280 PolarHBondContact O-N 3.36Å; W277-R281 WeakPolarHBondContact O-CB 3.35Å; W277-R281 PolarHBondContact O-N 3.32Å
278K85.1Confident88.1Confident78 Ų7859.7 Ų59.734%0.33930%0.303SS..Hα-helixtrans-59.6-37.1176.1-72.6169.8179.6162.50111.6E274 I276E274-K278 VanDerWaalsContact O-CB 3.26Å; E274-K278 WeakPolarHBondContact O-CB 3.33Å; E274-K278 WeakPolarHBondContact O-CD 3.02Å; E274-K278 VanDerWaalsContact O-CG 3.22Å; E274-K278 WeakPolarHBondContact O-CG 3.5Å; E274-K278 PolarHBondContact O-N 3.17Å; E274-K278 IonicContact OE2-NZ 2.75Å; E274-K278 PolarHBondContact OE2-NZ 3.38Å; I276-K278 PolarHBondContact O-N 2.83Å
279K82.8Confident88.2Confident89 Ų8955.6 Ų55.639%0.38727%0.274SS..Hα-helixtrans-69-43180-174-178.2-174.9-175.30112.5I23 K275 I276 W277I23-K279 HydrophobicContact CD1-CD 4.07Å; I23-K279 VanDerWaalsContact CD1-CE 3.41Å; I23-K279 HydrophobicContact CD1-CG 3.45Å; I23-K279 VanDerWaalsContact CD1-CG 3.45Å; I23-K279 HydrophobicContact CG1-CG 3.93Å; K275-K279 WeakPolarHBondContact O-CB 3.33Å; K275-K279 PolarHBondContact O-N 2.84Å; K275-K279 VanDerWaalsContact O-N 3.09Å; I276-K279 WeakPolarHBondContact O-CB 3.5Å; I276-K279 PolarHBondContact O-N 2.99Å; W277-K279 PolarHBondContact O-N 3.07Å
280F86.4Confident88.3Confident90 Ų9050.5 Ų50.540%0.39525%0.254SS..Hα-helixtrans-97.6-9.6-171.6-71.5-74.5000114.4I253 I276 W277 A282 V283 T284I253-F280 HydrophobicContact CD1-CB 3.63Å; I253-F280 HydrophobicContact CD1-CG 4.48Å; I253-F280 HydrophobicContact CG1-CB 4.16Å; I276-F280 HydrophobicContact CG2-CD2 4.04Å; I276-F280 HydrophobicContact CG2-CE2 4.42Å; I276-F280 VanDerWaalsContact O-CD2 3.29Å; I276-F280 WeakPolarHBondContact O-CD2 3.34Å; I276-F280 PolarHBondContact O-N 3.07Å; I276-F280 VanDerWaalsContact O-N 3.09Å; W277-F280 PolarHBondContact O-N 3.36Å; F280-A282 PolarHBondContact O-N 2.77Å; F280-V283 PolarHBondContact O-N 3.44Å; F280-T284 HydrophobicContact CB-CG2 4.4Å; F280-T284 WeakPolarHBondContact O-CB 3.26Å; F280-T284 WeakPolarHBondContact O-CG2 3.36Å; F280-T284 PolarHBondContact O-N 3.02Å; F280-T284 PolarHBondContact O-OG1 3.03Å
281R87.8Confident88.4Confident31 Ų3149.2 Ų49.212%0.11725%0.249CC..Hα-helixtrans-52.5-50.6-178-169.576-179.4119.2-1.7113.3Y250 W277 T284 S285Y250-R281 VanDerWaalsContact CD2-NH1 3.26Å; Y250-R281 VanDerWaalsContact CZ-NH1 3.3Å; Y250-R281 PolarHBondContact OH-NH2 3.25Å; W277-R281 WeakPolarHBondContact O-CB 3.35Å; W277-R281 PolarHBondContact O-N 3.32Å; R281-T284 PolarHBondContact O-OG1 3.01Å; R281-T284 VanDerWaalsContact O-OG1 3.13Å; R281-S285 WeakPolarHBondContact O-CB 3.29Å; R281-S285 PolarHBondContact O-N 3.4Å; R281-S285 PolarHBondContact O-OG 2.94Å
282A83.9Confident88.7Confident53 Ų5346.6 Ų46.644%0.43824%0.235SC..Hα-helixtrans-64.6-47.7-177.700000111.5F280 S285 T286F280-A282 PolarHBondContact O-N 2.77Å; A282-S285 PolarHBondContact O-N 2.93Å; A282-T286 PolarHBondContact O-N 3.46Å; A282-T286 PolarHBondContact O-OG1 2.85Å; A282-T286 VanDerWaalsContact O-OG1 3.11Å
283V86.9Confident88.7Confident69 Ų6942.1 Ų42.142%0.41821%0.213SC..Hα-helixtrans-62.1-48.8-1791780000111.2F280 S285 T286 I287F280-V283 PolarHBondContact O-N 3.44Å; V283-S285 VanDerWaalsContact C-N 3.31Å; V283-S285 PolarHBondContact O-N 3.29Å; V283-T286 PolarHBondContact O-N 2.86Å; V283-I287 HydrophobicContact CG1-CD1 4.06Å; V283-I287 WeakPolarHBondContact O-CG1 3.25Å; V283-I287 PolarHBondContact O-N 2.87Å
284T90.5Very high88.8Confident10 Ų1041 Ų416%0.06121%0.209CC..Hα-helixtrans-65.4-34179.7530000112.5P249 I253 F280 R281 I287 A288P249-T284 HydrophobicContact CB-CG2 3.68Å; I253-T284 HydrophobicContact CG1-CG2 3.75Å; F280-T284 HydrophobicContact CB-CG2 4.4Å; F280-T284 WeakPolarHBondContact O-CB 3.26Å; F280-T284 WeakPolarHBondContact O-CG2 3.36Å; F280-T284 PolarHBondContact O-N 3.02Å; F280-T284 PolarHBondContact O-OG1 3.03Å; R281-T284 PolarHBondContact O-OG1 3.01Å; R281-T284 VanDerWaalsContact O-OG1 3.13Å; T284-I287 PolarHBondContact O-N 3.49Å; T284-A288 PolarHBondContact O-N 3.39Å
285S88.9Confident88.9Confident31 Ų3139.5 Ų39.522%0.21720%0.202CC..Hα-helixtrans-65.2-45.9172.1-56.80000111.4R281 A282 V283 I287 A288 F289R281-S285 WeakPolarHBondContact O-CB 3.29Å; R281-S285 PolarHBondContact O-N 3.4Å; R281-S285 PolarHBondContact O-OG 2.94Å; A282-S285 PolarHBondContact O-N 2.93Å; V283-S285 VanDerWaalsContact C-N 3.31Å; V283-S285 PolarHBondContact O-N 3.29Å; S285-I287 VanDerWaalsContact C-N 3.3Å; S285-I287 PolarHBondContact O-N 2.67Å; S285-A288 WeakPolarHBondContact O-CB 3.44Å; S285-A288 PolarHBondContact O-N 2.89Å; S285-A288 VanDerWaalsContact O-N 3.09Å; S285-F289 VanDerWaalsContact O-CD2 3.28Å; S285-F289 WeakPolarHBondContact O-CD2 3.41Å; S285-F289 PolarHBondContact O-N 3.09Å; S285-F289 VanDerWaalsContact O-N 3.16Å
286T88.6Confident88.9Confident18 Ų1834.6 Ų34.611%0.1118%0.182CC..Hα-helixtrans-60-39.9176.2-58.30000112I36 L37 A282 V283 A288 F289I36-T286 HydrophobicContact CB-CG2 3.85Å; I36-T286 HydrophobicContact CD1-CG2 4.33Å; I36-T286 HydrophobicContact CG2-CG2 3.52Å; L37-T286 HydrophobicContact CD2-CG2 4.12Å; L37-T286 HydrophobicContact CG-CG2 4.22Å; A282-T286 PolarHBondContact O-N 3.46Å; A282-T286 PolarHBondContact O-OG1 2.85Å; A282-T286 VanDerWaalsContact O-OG1 3.11Å; V283-T286 PolarHBondContact O-N 2.86Å; T286-A288 VanDerWaalsContact C-N 3.33Å; T286-A288 PolarHBondContact O-N 3.35Å; T286-F289 PolarHBondContact O-N 3.07Å
287I91.6Very high88.9Confident54 Ų5434.7 Ų34.728%0.27719%0.185SC..Hα-helixtrans-61.9-41.9174.8-67.1168.7000110.8F246 V283 T284 S285 F289 I290F246-I287 HydrophobicContact CB-CG2 4.45Å; F246-I287 HydrophobicContact CD1-CG2 3.82Å; V283-I287 HydrophobicContact CG1-CD1 4.06Å; V283-I287 WeakPolarHBondContact O-CG1 3.25Å; V283-I287 PolarHBondContact O-N 2.87Å; T284-I287 PolarHBondContact O-N 3.49Å; S285-I287 VanDerWaalsContact C-N 3.3Å; S285-I287 PolarHBondContact O-N 2.67Å; I287-F289 VanDerWaalsContact C-N 3.3Å; I287-F289 PolarHBondContact O-N 3.43Å; I287-I290 WeakPolarHBondContact O-CB 3.48Å; I287-I290 PolarHBondContact O-N 3.2Å; I287-I290 VanDerWaalsContact O-N 3.14Å
288A91.8Very high88.8Confident1 Ų134.6 Ų34.61%0.00819%0.187CC..Hα-helixtrans-61.3-36.5177.900000112.5W247 T284 S285 T286 I290 S291W247-A288 HydrophobicContact CD2-CB 3.94Å; W247-A288 HydrophobicContact CE3-CB 3.83Å; W247-A288 HydrophobicContact CH2-CB 3.93Å; W247-A288 HydrophobicContact CZ2-CB 4.06Å; W247-A288 HydrophobicContact CZ3-CB 3.81Å; T284-A288 PolarHBondContact O-N 3.39Å; S285-A288 WeakPolarHBondContact O-CB 3.44Å; S285-A288 PolarHBondContact O-N 2.89Å; S285-A288 VanDerWaalsContact O-N 3.09Å; T286-A288 VanDerWaalsContact C-N 3.33Å; T286-A288 PolarHBondContact O-N 3.35Å; A288-I290 PolarHBondContact O-N 3.05Å; A288-S291 VanDerWaalsContact O-CB 3.25Å; A288-S291 WeakPolarHBondContact O-CB 3.4Å; A288-S291 PolarHBondContact O-N 3.23Å; A288-S291 VanDerWaalsContact O-N 3.1Å; A288-S291 PolarHBondContact O-OG 3.34Å
289F90.7Very high88.8Confident23 Ų2331 Ų3110%0.10117%0.171CC..Hα-helixtrans-62.5-29176.3-87.3-116.3000113.2L37 L79 M80 F86 S285 T286 I287 S291 S292L37-F289 HydrophobicContact CD2-CB 3.84Å; L37-F289 HydrophobicContact CD2-CD1 3.93Å; L37-F289 HydrophobicContact CD2-CG 3.95Å; L79-F289 HydrophobicContact CD1-CD1 4.45Å; L79-F289 HydrophobicContact CD1-CE1 3.75Å; L79-F289 HydrophobicContact CD1-CZ 3.94Å; L79-F289 HydrophobicContact CD2-CD1 4.16Å; L79-F289 HydrophobicContact CD2-CE1 4.25Å; L79-F289 HydrophobicContact CD2-CG 4.47Å; L79-F289 HydrophobicContact CG-CD1 4.29Å; L79-F289 HydrophobicContact CG-CE1 4.05Å; M80-F289 HydrophobicContact CE-CD1 4.44Å; F86-F289 HydrophobicContact CD2-CE1 4.01Å; F86-F289 HydrophobicContact CD2-CZ 4.05Å; F86-F289 HydrophobicContact CE2-CE1 4.21Å; F86-F289 AromaticContact CE2-CZ 3.96Å; F86-F289 HydrophobicContact CE2-CZ 3.96Å; F86-F289 HydrophobicContact CG-CZ 4.44Å; F86-F289 HydrophobicContact CZ-CZ 4.29Å; S285-F289 VanDerWaalsContact O-CD2 3.28Å; S285-F289 WeakPolarHBondContact O-CD2 3.41Å; S285-F289 PolarHBondContact O-N 3.09Å; S285-F289 VanDerWaalsContact O-N 3.16Å; T286-F289 PolarHBondContact O-N 3.07Å; I287-F289 VanDerWaalsContact C-N 3.3Å; I287-F289 PolarHBondContact O-N 3.43Å; F289-S291 PolarHBondContact O-N 3.15Å; F289-S292 PolarHBondContact O-N 2.98Å
290I92.2Very high88.9Confident42 Ų4231.8 Ų31.822%0.21518%0.175CC..Hα-helixtrans-61.4-27.8176.9-56.7172.5000111I36 V40 F246 I287 A288 S292 C293 A294I36-I290 HydrophobicContact CG2-CD1 4.03Å; I36-I290 HydrophobicContact CG2-CG1 4.16Å; V40-I290 HydrophobicContact CG2-CB 4.33Å; V40-I290 HydrophobicContact CG2-CG1 3.72Å; F246-I290 HydrophobicContact CD1-CB 4.22Å; F246-I290 HydrophobicContact CD1-CG2 4.34Å; F246-I290 HydrophobicContact CE1-CB 4.1Å; F246-I290 HydrophobicContact CE1-CG2 3.76Å; F246-I290 HydrophobicContact CE2-CG2 3.92Å; F246-I290 HydrophobicContact CZ-CB 4.26Å; F246-I290 HydrophobicContact CZ-CG2 3.52Å; I287-I290 WeakPolarHBondContact O-CB 3.48Å; I287-I290 PolarHBondContact O-N 3.2Å; I287-I290 VanDerWaalsContact O-N 3.14Å; A288-I290 PolarHBondContact O-N 3.05Å; I290-S292 PolarHBondContact O-N 2.98Å; I290-C293 PolarHBondContact O-N 3.3Å; I290-C293 PolarHBondContact O-SG 3.06Å; I290-A294 PolarHBondContact O-N 2.94Å
291S92.4Very high88.7Confident2 Ų234 Ų341%0.01419%0.185CC..Hα-helixtrans-56.6-37.6178.270.90000113W247 A288 F289 C293 A294W247-S291 PolarHBondContact NE1-OG 2.93Å; A288-S291 VanDerWaalsContact O-CB 3.25Å; A288-S291 WeakPolarHBondContact O-CB 3.4Å; A288-S291 PolarHBondContact O-N 3.23Å; A288-S291 VanDerWaalsContact O-N 3.1Å; A288-S291 PolarHBondContact O-OG 3.34Å; F289-S291 PolarHBondContact O-N 3.15Å; S291-C293 PolarHBondContact O-N 3.39Å; S291-A294 PolarHBondContact O-N 3.03Å
292S91.6Very high88.2Confident0 Ų033.5 Ų33.50%019%0.187CC..Hα-helixtrans-74.2-22.4-177.9-690000113.8N48 D76 F289 I290N48-S292 PolarHBondContact ND2-O 3.09Å; D76-S292 WeakPolarHBondContact OD1-CB 3.22Å; D76-S292 PolarHBondContact OD1-OG 3.46Å; F289-S292 PolarHBondContact O-N 2.98Å; I290-S292 PolarHBondContact O-N 2.98Å
293C91.4Very high87.5Confident10 Ų1031 Ų317%0.06817%0.166CC..Hα-helixtrans-92.6-16.4171.6720000113.3V40 L43 G44 I290 S291V40-C293 HydrophobicContact CG1-CB 4.16Å; L43-C293 HydrophobicContact CB-CB 4.38Å; G44-C293 VanDerWaalsContact CA-CB 3.46Å; I290-C293 PolarHBondContact O-N 3.3Å; I290-C293 PolarHBondContact O-SG 3.06Å; S291-C293 PolarHBondContact O-N 3.39Å
294A91.2Very high87Confident13 Ų1334.7 Ų34.711%0.10718%0.177CC..Hα-helixtrans-70.4-31.1179.800000112.8T242 F246 I290 S291 V297 L298T242-A294 HydrophobicContact CG2-CB 3.66Å; F246-A294 HydrophobicContact CD2-CB 4.49Å; F246-A294 HydrophobicContact CE2-CB 3.84Å; I290-A294 PolarHBondContact O-N 2.94Å; S291-A294 PolarHBondContact O-N 3.03Å; A294-V297 WeakPolarHBondContact O-CB 3.4Å; A294-V297 PolarHBondContact O-N 3.3Å; A294-L298 WeakPolarHBondContact O-CG 3.48Å; A294-L298 PolarHBondContact O-N 2.96Å
295N90.1Very high85.8Confident2 Ų236.8 Ų36.81%0.01119%0.192CC..Hα-helixtrans-58.3-55-177.6-72.1-28.2000113.1D76 V297 L298 Y299D76-N295 PolarHBondContact OD2-ND2 3.48Å; N295-V297 VanDerWaalsContact C-N 3.26Å; N295-V297 PolarHBondContact O-N 2.7Å; N295-L298 PolarHBondContact O-N 3.22Å; N295-Y299 HydrophobicContact CB-CE2 4.02Å; N295-Y299 WeakPolarHBondContact O-CD2 3.41Å; N295-Y299 PolarHBondContact O-N 3.02Å
296P87.4Confident84.7Confident14 Ų1439.5 Ų39.59%0.09120%0.198CC..Hα-helixtrans-54.1-39.1173.7-27.834.3000114.4V51 Y299 F300V51-P296 HydrophobicContact CG2-CB 4.49Å; P296-Y299 PolarHBondContact O-N 2.95Å; P296-F300 PolarHBondContact O-N 3.2Å
297V87.6Confident83.7Confident62 Ų6241 Ų4138%0.37621%0.205SC..Hα-helixtrans-64.6-46.9178.8177.60000110.5A294 N295 Y299 F300 F301A294-V297 WeakPolarHBondContact O-CB 3.4Å; A294-V297 PolarHBondContact O-N 3.3Å; N295-V297 VanDerWaalsContact C-N 3.26Å; N295-V297 PolarHBondContact O-N 2.7Å; V297-Y299 VanDerWaalsContact C-N 3.31Å; V297-Y299 PolarHBondContact O-N 2.86Å; V297-F300 PolarHBondContact O-N 2.86Å; V297-F301 HydrophobicContact CG1-CD2 3.77Å; V297-F301 HydrophobicContact CG1-CE2 3.5Å; V297-F301 VanDerWaalsContact CG1-CE2 3.5Å; V297-F301 WeakPolarHBondContact O-CD2 3.33Å; V297-F301 PolarHBondContact O-N 3.11Å; V297-F301 VanDerWaalsContact O-N 3.09Å
298L86.7Confident82.3Confident35 Ų3550 Ų5018%0.18324%0.235CC..Hα-helixtrans-59.5-42.3175.1-70175.4000111.8L235 A238 I239 T242 A294 N295 F301 A302L235-L298 HydrophobicContact CD1-CB 4.22Å; A238-L298 HydrophobicContact CB-CD2 4.22Å; I239-L298 HydrophobicContact CB-CD1 4.46Å; I239-L298 HydrophobicContact CG1-CD1 3.92Å; T242-L298 HydrophobicContact CG2-CD1 4.22Å; A294-L298 WeakPolarHBondContact O-CG 3.48Å; A294-L298 PolarHBondContact O-N 2.96Å; N295-L298 PolarHBondContact O-N 3.22Å; L298-F301 PolarHBondContact O-N 3.36Å; L298-A302 WeakPolarHBondContact O-CB 3.47Å; L298-A302 PolarHBondContact O-N 3.39Å
299Y85.4Confident80.9Confident1 Ų160.2 Ų60.20%0.00427%0.274CS..Hα-helixtrans-63.4-42177.3-57.8-34.7000112.2V51 I69 L235 I239 N295 P296 V297 A302 G303 M315 F319V51-Y299 HydrophobicContact CG2-CD2 3.92Å; V51-Y299 HydrophobicContact CG2-CE2 4.39Å; I69-Y299 HydrophobicContact CG2-CE2 4.06Å; L235-Y299 HydrophobicContact CD1-CD1 4.17Å; L235-Y299 HydrophobicContact CD2-CD1 4.25Å; I239-Y299 HydrophobicContact CD1-CD1 4.45Å; I239-Y299 HydrophobicContact CD1-CE1 3.57Å; I239-Y299 HydrophobicContact CG1-CE1 4.39Å; N295-Y299 HydrophobicContact CB-CE2 4.02Å; N295-Y299 WeakPolarHBondContact O-CD2 3.41Å; N295-Y299 PolarHBondContact O-N 3.02Å; P296-Y299 PolarHBondContact O-N 2.95Å; V297-Y299 VanDerWaalsContact C-N 3.31Å; V297-Y299 PolarHBondContact O-N 2.86Å; Y299-A302 PolarHBondContact O-N 3.35Å; Y299-G303 PolarHBondContact O-N 3.41Å; Y299-M315 HydrophobicContact CG-CE 4.42Å; Y299-F319 HydrophobicContact CD1-CE1 4.36Å; Y299-F319 AromaticContact CD1-CZ 3.69Å; Y299-F319 HydrophobicContact CD1-CZ 3.69Å; Y299-F319 HydrophobicContact CE1-CZ 4.04Å; Y299-F319 HydrophobicContact CG-CZ 4.02Å
300F83.4Confident79.7Confident106 Ų10663.3 Ų63.347%0.46529%0.289SS..Hα-helixtrans-59.9-49.5176.7176.6-96.7000111.8P296 V297 A302 G303 K304 I307 F314P296-F300 PolarHBondContact O-N 3.2Å; V297-F300 PolarHBondContact O-N 2.86Å; F300-A302 PolarHBondContact O-N 3.36Å; F300-G303 CarbonylContact O-C 3.54Å; F300-G303 PolarHBondContact O-N 3.35Å; F300-K304 PolarHBondContact O-N 3.3Å; F300-I307 HydrophobicContact CD2-CD1 3.69Å; F300-I307 HydrophobicContact CE2-CD1 3.47Å; F300-I307 VanDerWaalsContact CE2-CD1 3.47Å; F300-I307 HydrophobicContact CZ-CD1 4.14Å; F300-F314 HydrophobicContact CD2-CZ 4.32Å
301F82.3Confident78.8Confident137 Ų13763 Ų6360%0.60130%0.296SS*.Hα-helixtrans-63.9-41178.8-76.5-66000112.6V297 L298 G303 K304V297-F301 HydrophobicContact CG1-CD2 3.77Å; V297-F301 HydrophobicContact CG1-CE2 3.5Å; V297-F301 VanDerWaalsContact CG1-CE2 3.5Å; V297-F301 WeakPolarHBondContact O-CD2 3.33Å; V297-F301 PolarHBondContact O-N 3.11Å; V297-F301 VanDerWaalsContact O-N 3.09Å; L298-F301 PolarHBondContact O-N 3.36Å; F301-G303 VanDerWaalsContact C-N 3.28Å; F301-G303 PolarHBondContact O-N 3Å; F301-K304 PolarHBondContact O-N 3.48Å
302A77.1Confident77.6Confident20 Ų2067 Ų6717%0.16532%0.317CS..Hα-helixtrans-66.4-32.2175.800000112.8R231 L235 L298 Y299 F300 L318R231-A302 PolarHBondContact NE-O 2.86Å; R231-A302 PolarHBondContact NH2-O 2.74Å; L235-A302 HydrophobicContact CB-CB 4.27Å; L235-A302 HydrophobicContact CD1-CB 3.75Å; L235-A302 HydrophobicContact CD2-CB 3.84Å; L235-A302 HydrophobicContact CG-CB 4.15Å; L298-A302 WeakPolarHBondContact O-CB 3.47Å; L298-A302 PolarHBondContact O-N 3.39Å; Y299-A302 PolarHBondContact O-N 3.35Å; F300-A302 PolarHBondContact O-N 3.36Å; A302-L318 HydrophobicContact CB-CD2 4.28Å
303G70.6Confident76.5Confident0 Ų067.8 Ų67.80%032%0.323CS..Hα-helixtrans-84.1-7.6179.900000115.9Y299 F300 F301 S305 Y306 I307Y299-G303 PolarHBondContact O-N 3.41Å; F300-G303 CarbonylContact O-C 3.54Å; F300-G303 PolarHBondContact O-N 3.35Å; F301-G303 VanDerWaalsContact C-N 3.28Å; F301-G303 PolarHBondContact O-N 3Å; G303-S305 PolarHBondContact O-N 2.78Å; G303-Y306 WeakPolarHBondContact O-CA 3.34Å; G303-Y306 PolarHBondContact O-N 3.43Å; G303-I307 PolarHBondContact O-N 3.18Å
304K75.3Confident75.7Confident148 Ų14867.7 Ų67.764%0.64332%0.322SS*.Hα-helixtrans-47.2-35.5-173.1-170.4175.5-179.8178.20115.2F300 F301F300-K304 PolarHBondContact O-N 3.3Å; F301-K304 PolarHBondContact O-N 3.48Å
305S66.6Low74.7Confident54 Ų5467.3 Ų67.338%0.37832%0.317SS..Hα-helixtrans-75.8-22.9178.163.10000114.8R231 G303R231-S305 PolarHBondContact NH1-OG 2.98Å; R231-S305 PolarHBondContact NH2-OG 2.93Å; G303-S305 PolarHBondContact O-N 2.78Å
306Y64.7Low73.6Confident87 Ų8767.3 Ų67.334%0.34132%0.318SS..Hα-helixtrans-89.5-26.3178.3-66.8-84.9000112G303 R308 R309 E310 L318G303-Y306 WeakPolarHBondContact O-CA 3.34Å; G303-Y306 PolarHBondContact O-N 3.43Å; Y306-R308 PolarHBondContact O-N 2.96Å; Y306-R309 PolarHBondContact O-N 3.39Å; Y306-E310 PolarHBondContact O-N 2.92Å; Y306-L318 HydrophobicContact CD2-CD1 4.15Å; Y306-L318 HydrophobicContact CE2-CD1 4.07Å
307I68.5Low72.7Confident51 Ų5170.6 Ų70.626%0.26233%0.329SS..Hα-helixtrans-54.3-42.1177.5-64.7176.7000111F300 G303 R309 G311 F314F300-I307 HydrophobicContact CD2-CD1 3.69Å; F300-I307 HydrophobicContact CE2-CD1 3.47Å; F300-I307 VanDerWaalsContact CE2-CD1 3.47Å; F300-I307 HydrophobicContact CZ-CD1 4.14Å; G303-I307 PolarHBondContact O-N 3.18Å; I307-R309 VanDerWaalsContact C-N 3.3Å; I307-R309 PolarHBondContact O-N 3.27Å; I307-G311 WeakPolarHBondContact O-CA 3.28Å; I307-G311 PolarHBondContact O-N 3.11Å; I307-G311 VanDerWaalsContact O-N 3.08Å; I307-F314 HydrophobicContact CD1-CD1 4.36Å; I307-F314 HydrophobicContact CD1-CD2 4.5Å; I307-F314 HydrophobicContact CD1-CE1 4.09Å; I307-F314 HydrophobicContact CD1-CE2 4.25Å; I307-F314 HydrophobicContact CD1-CZ 4Å; I307-F314 HydrophobicContact CG1-CB 4.11Å; I307-F314 HydrophobicContact CG1-CD1 3.64Å; I307-F314 HydrophobicContact CG1-CD2 3.85Å; I307-F314 HydrophobicContact CG1-CE1 3.88Å; I307-F314 HydrophobicContact CG1-CE2 4.1Å; I307-F314 HydrophobicContact CG1-CG 3.58Å; I307-F314 HydrophobicContact CG1-CZ 4.08Å
308R61.8Low71.9Confident241 Ų24168.3 Ų68.391%0.90931%0.314SS*.Hα-helixtrans-71.3-20.5-178.2-153.4176.1-162.6146.14.3114.2Y306Y306-R308 PolarHBondContact O-N 2.96Å
309R62.2Low71Confident217 Ų21766.8 Ų66.882%0.81931%0.306SS*.Hα-helixtrans-102-33.2-177.8-73.1-175.3174.7-175.6-2.3113.3Y306 I307Y306-R309 PolarHBondContact O-N 3.39Å; I307-R309 VanDerWaalsContact C-N 3.3Å; I307-R309 PolarHBondContact O-N 3.27Å
310E65.8Low70Confident88 Ų8867.5 Ų67.541%0.41131%0.309SS..Hα-helixtrans-127.41.2-166.2-57.7-72156.400113.2Y306 L312 A313 R317Y306-E310 PolarHBondContact O-N 2.92Å; E310-L312 PolarHBondContact O-N 3.04Å; E310-A313 HydrophobicContact CB-CB 4.47Å; E310-A313 WeakPolarHBondContact O-CB 3.28Å; E310-A313 PolarHBondContact O-N 2.01Å; E310-A313 VanDerWaalsContact O-N 3.13Å; E310-R317 HydrophobicContact CG-CG 4.41Å
311G73.2Confident68.5Low36 Ų3664 Ų6437%0.37130%0.303SS..G310 helixtrans54-130.8179.200000112.8I307 A313 F314I307-G311 WeakPolarHBondContact O-CA 3.28Å; I307-G311 PolarHBondContact O-N 3.11Å; I307-G311 VanDerWaalsContact O-N 3.08Å; G311-A313 PolarHBondContact O-N 3.31Å; G311-A313 VanDerWaalsContact O-N 3.13Å; G311-F314 WeakPolarHBondContact O-CB 3.37Å; G311-F314 WeakPolarHBondContact O-CD1 3.29Å; G311-F314 PolarHBondContact O-N 2.94Å
312L67.9Low67Low86 Ų8657.8 Ų57.845%0.4528%0.276SS..G310 helixtrans-68.8-7.5-177.8-55174.7000114.4F50 W53 S54 E310 F314F50-L312 HydrophobicContact CE2-CB 4.5Å; F50-L312 HydrophobicContact CE2-CD2 3.95Å; F50-L312 HydrophobicContact CZ-CD2 4.11Å; W53-L312 HydrophobicContact CH2-CD1 4.16Å; W53-L312 HydrophobicContact CZ3-CB 4.34Å; W53-L312 HydrophobicContact CZ3-CD1 4.25Å; S54-L312 PolarHBondContact OG-O 3.07Å; E310-L312 PolarHBondContact O-N 3.04Å; L312-F314 VanDerWaalsContact C-N 3.29Å
313A66.7Low65.3Low16 Ų1657.6 Ų57.613%0.13228%0.276CS..G310 helixtrans-84.6-117400000113.1R58 E310 G311 M315 A316 R317R58-A313 HydrophobicContact CB-CB 4.4Å; E310-A313 HydrophobicContact CB-CB 4.47Å; E310-A313 WeakPolarHBondContact O-CB 3.28Å; E310-A313 PolarHBondContact O-N 2.01Å; E310-A313 VanDerWaalsContact O-N 3.13Å; G311-A313 PolarHBondContact O-N 3.31Å; G311-A313 VanDerWaalsContact O-N 3.13Å; A313-M315 VanDerWaalsContact C-N 3.26Å; A313-M315 PolarHBondContact O-N 3.21Å; A313-A316 PolarHBondContact O-N 3.29Å; A313-R317 PolarHBondContact O-N 3.49Å; A313-R317 VanDerWaalsContact O-N 3.14Å
314F75.3Confident63.7Low8 Ų861 Ų614%0.03529%0.294CS..Hα-helixtrans-60-33.7-172.686.9-90.8000113.1F50 F300 I307 G311 L312 R317 L318F50-F314 HydrophobicContact CE1-CE1 4.03Å; F50-F314 HydrophobicContact CZ-CE1 4.29Å; F300-F314 HydrophobicContact CD2-CZ 4.32Å; I307-F314 HydrophobicContact CD1-CD1 4.36Å; I307-F314 HydrophobicContact CD1-CD2 4.5Å; I307-F314 HydrophobicContact CD1-CE1 4.09Å; I307-F314 HydrophobicContact CD1-CE2 4.25Å; I307-F314 HydrophobicContact CD1-CZ 4Å; I307-F314 HydrophobicContact CG1-CB 4.11Å; I307-F314 HydrophobicContact CG1-CD1 3.64Å; I307-F314 HydrophobicContact CG1-CD2 3.85Å; I307-F314 HydrophobicContact CG1-CE1 3.88Å; I307-F314 HydrophobicContact CG1-CE2 4.1Å; I307-F314 HydrophobicContact CG1-CG 3.58Å; I307-F314 HydrophobicContact CG1-CZ 4.08Å; G311-F314 WeakPolarHBondContact O-CB 3.37Å; G311-F314 WeakPolarHBondContact O-CD1 3.29Å; G311-F314 PolarHBondContact O-N 2.94Å; L312-F314 VanDerWaalsContact C-N 3.29Å; F314-R317 PolarHBondContact O-N 3.08Å; F314-L318 WeakPolarHBondContact O-CB 3.48Å; F314-L318 PolarHBondContact O-N 3.16Å
315M69.8Low62.1Low4 Ų457.8 Ų57.82%0.0228%0.284CS..Hα-helixtrans-66.1-48.4178.4-68.5-61.4-165.200111.2F50 V51 Y299 A313 R317 L318 F319F50-M315 HydrophobicContact CE1-CE 4.39Å; F50-M315 HydrophobicContact CE1-CG 4.1Å; V51-M315 HydrophobicContact CG2-CE 4.38Å; Y299-M315 HydrophobicContact CG-CE 4.42Å; A313-M315 VanDerWaalsContact C-N 3.26Å; A313-M315 PolarHBondContact O-N 3.21Å; M315-R317 VanDerWaalsContact C-N 3.26Å; M315-R317 PolarHBondContact O-N 2.78Å; M315-L318 PolarHBondContact O-N 3.3Å; M315-L318 HydrophobicContact SD-CD2 4.48Å; M315-F319 HydrophobicContact CB-CE2 4.34Å; M315-F319 WeakPolarHBondContact O-CD2 3.34Å; M315-F319 PolarHBondContact O-N 3.32Å; M315-F319 HydrophobicContact SD-CE2 4.14Å
316A67Low60.7Low2 Ų256.5 Ų56.52%0.01728%0.275CS..Hα-helixtrans-55.3-44.4175.700000111R58 A59 A313 E320R58-A316 HydrophobicContact CB-CB 4.27Å; A59-A316 HydrophobicContact CB-CB 4.17Å; A313-A316 PolarHBondContact O-N 3.29Å; A316-E320 WeakPolarHBondContact O-CB 3.33Å; A316-E320 PolarHBondContact O-N 3.45Å
317R68.6Low59.4Low84 Ų8456.3 Ų56.332%0.31728%0.283SS..Hα-helixtrans-73.6-37.5178.7-67.7-57.9-161.7-178.98.7114.5E310 A313 F314 M315 F319 E320 G321E310-R317 HydrophobicContact CG-CG 4.41Å; A313-R317 PolarHBondContact O-N 3.49Å; A313-R317 VanDerWaalsContact O-N 3.14Å; F314-R317 PolarHBondContact O-N 3.08Å; M315-R317 VanDerWaalsContact C-N 3.26Å; M315-R317 PolarHBondContact O-N 2.78Å; R317-F319 PolarHBondContact O-N 3Å; R317-E320 IonicContact CZ-OE2 3.82Å; R317-E320 IonicContact NH1-OE2 2.9Å; R317-E320 PolarHBondContact NH1-OE2 2.81Å; R317-E320 PolarHBondContact O-N 3Å; R317-G321 PolarHBondContact O-N 2.92Å
318L70.8Confident57.9Low13 Ų1362.9 Ų62.97%0.06831%0.305CS..Hα-helixtrans-55.9-36.3175.9179.364.6000110.5L235 A302 Y306 F314 M315 T322L235-L318 HydrophobicContact CD2-CD2 4.28Å; A302-L318 HydrophobicContact CB-CD2 4.28Å; Y306-L318 HydrophobicContact CD2-CD1 4.15Å; Y306-L318 HydrophobicContact CE2-CD1 4.07Å; F314-L318 WeakPolarHBondContact O-CB 3.48Å; F314-L318 PolarHBondContact O-N 3.16Å; M315-L318 PolarHBondContact O-N 3.3Å; M315-L318 HydrophobicContact SD-CD2 4.48Å; L318-T322 WeakPolarHBondContact O-CG2 3.39Å
319F67.3Low56.8Low4 Ų455.7 Ų55.72%0.01828%0.28CS..Hα-helixtrans-95.2-32.3-179.3-55.5-52.9000113.6T65 I69 L235 Y299 M315 R317 T322T65-F319 HydrophobicContact CG2-CD1 4.33Å; I69-F319 HydrophobicContact CD1-CD1 3.24Å; I69-F319 HydrophobicContact CD1-CD2 3.93Å; I69-F319 HydrophobicContact CD1-CE1 3.18Å; I69-F319 HydrophobicContact CD1-CE2 3.89Å; I69-F319 HydrophobicContact CD1-CG 3.64Å; I69-F319 HydrophobicContact CD1-CZ 3.53Å; I69-F319 HydrophobicContact CG2-CE2 4.13Å; I69-F319 HydrophobicContact CG2-CZ 4.39Å; L235-F319 HydrophobicContact CD2-CE1 3.82Å; L235-F319 HydrophobicContact CD2-CZ 4.45Å; Y299-F319 HydrophobicContact CD1-CE1 4.36Å; Y299-F319 AromaticContact CD1-CZ 3.69Å; Y299-F319 HydrophobicContact CD1-CZ 3.69Å; Y299-F319 HydrophobicContact CE1-CZ 4.04Å; Y299-F319 HydrophobicContact CG-CZ 4.02Å; M315-F319 HydrophobicContact CB-CE2 4.34Å; M315-F319 WeakPolarHBondContact O-CD2 3.34Å; M315-F319 PolarHBondContact O-N 3.32Å; M315-F319 HydrophobicContact SD-CE2 4.14Å; R317-F319 PolarHBondContact O-N 3Å; F319-T322 WeakPolarHBondContact O-CB 3.09Å; F319-T322 PolarHBondContact O-N 3.02Å; F319-T322 PolarHBondContact O-OG1 3.14Å
320E65.1Low55.9Low15 Ų1549 Ų497%0.0727%0.266CS..Hα-helixtrans-70.2-36.1174.9-163.4-178.2-154.700112.4A316 R317 T322 G323 L324A316-E320 WeakPolarHBondContact O-CB 3.33Å; A316-E320 PolarHBondContact O-N 3.45Å; R317-E320 IonicContact CZ-OE2 3.82Å; R317-E320 IonicContact NH1-OE2 2.9Å; R317-E320 PolarHBondContact NH1-OE2 2.81Å; R317-E320 PolarHBondContact O-N 3Å; E320-T322 PolarHBondContact O-N 3.34Å; E320-G323 PolarHBondContact O-N 3.28Å; E320-L324 HydrophobicContact CG-CD1 3.87Å; E320-L324 PolarHBondContact O-N 2.89Å
321G53.3Low54.7Low32 Ų3250.9 Ų50.933%0.3328%0.275SS..Hα-helixtrans-60-17.1171.700000113.5R317R317-G321 PolarHBondContact O-N 2.92Å
322T50Low53.1Low7 Ų754.7 Ų54.74%0.04329%0.285CS..Hα-helixtrans-82.8-15.4174.271.90000114.9T65 R127 S232 L318 F319 E320T65-T322 PolarHBondContact OG1-OG1 3.28Å; R127-T322 PolarHBondContact NH2-OG1 3.48Å; S232-T322 WeakPolarHBondContact OG-CG2 3.49Å; L318-T322 WeakPolarHBondContact O-CG2 3.39Å; F319-T322 WeakPolarHBondContact O-CB 3.09Å; F319-T322 PolarHBondContact O-N 3.02Å; F319-T322 PolarHBondContact O-OG1 3.14Å; E320-T322 PolarHBondContact O-N 3.34Å
323G42.1Very low51.9Low16 Ų1656 Ų5617%0.16529%0.292CS..Hα-helixtrans-97.9-36.3173.600000113.2E320 D325 S326 T327E320-G323 PolarHBondContact O-N 3.28Å; G323-D325 PolarHBondContact O-N 3.5Å; G323-S326 PolarHBondContact O-N 3.32Å; G323-T327 PolarHBondContact O-N 2.93Å; G323-T327 PolarHBondContact O-OG1 2.97Å
324L37.2Very low50.9Low73 Ų7357.3 Ų57.338%0.38230%0.3SS..Hα-helixtrans-67-39.5-168.3-86.8159.1000115.3E320 S326 T327 R328E320-L324 HydrophobicContact CG-CD1 3.87Å; E320-L324 PolarHBondContact O-N 2.89Å; L324-S326 PolarHBondContact O-N 3.4Å; L324-T327 PolarHBondContact O-N 3.41Å; L324-R328 VanDerWaalsContact O-CB 3.27Å; L324-R328 WeakPolarHBondContact O-CB 3.47Å; L324-R328 PolarHBondContact O-N 2.93Å
325D40.6Very low49.7Very low79 Ų7962.8 Ų62.842%0.42233%0.326SS..Hα-helixtrans-75.2-8.1179-22-57.8000114.2R229 G323 K329R229-D325 VanDerWaalsContact CZ-CB 3.48Å; R229-D325 IonicContact CZ-OD2 3.26Å; R229-D325 VanDerWaalsContact CZ-OD2 3.26Å; R229-D325 IonicContact NE-OD2 3.04Å; R229-D325 PolarHBondContact NE-OD2 3.2Å; R229-D325 VanDerWaalsContact NH2-N 3.19Å; R229-D325 IonicContact NH2-OD2 2.72Å; R229-D325 PolarHBondContact NH2-OD2 3.27Å; G323-D325 PolarHBondContact O-N 3.5Å; D325-K329 WeakPolarHBondContact O-CB 3.4Å; D325-K329 WeakPolarHBondContact O-CG 3.06Å; D325-K329 PolarHBondContact O-N 3.47Å
326S37.8Very low48.7Very low28 Ų2867.2 Ų67.220%0.19635%0.35CS..Hα-helixtrans-81.2-46.9169.4-122.10000110.6G323 L324 K329 S330G323-S326 PolarHBondContact O-N 3.32Å; L324-S326 PolarHBondContact O-N 3.4Å; S326-K329 PolarHBondContact O-N 2.94Å; S326-S330 WeakPolarHBondContact O-CB 3.48Å; S326-S330 PolarHBondContact O-N 3.49Å
327T36.8Very low48.1Very low83 Ų8369.9 Ų69.951%0.50937%0.368SS..Hα-helixtrans-68-40.2179.2-44.40000111.8G323 L324 K329 S330 Q331G323-T327 PolarHBondContact O-N 2.93Å; G323-T327 PolarHBondContact O-OG1 2.97Å; L324-T327 PolarHBondContact O-N 3.41Å; T327-K329 PolarHBondContact O-N 2.69Å; T327-S330 PolarHBondContact O-N 2.97Å; T327-Q331 PolarHBondContact O-N 3.4Å
328R36.4Very low47.4Very low189 Ų18973.4 Ų73.471%0.71338%0.381SS*.Hα-helixtrans-68.5-34.5179.1-147.8175.2-172.8-176.31111.9L324 M332L324-R328 VanDerWaalsContact O-CB 3.27Å; L324-R328 WeakPolarHBondContact O-CB 3.47Å; L324-R328 PolarHBondContact O-N 2.93Å; R328-M332 WeakPolarHBondContact O-CB 3.39Å; R328-M332 PolarHBondContact O-N 2.86Å
329K39.8Very low46.6Very low90 Ų9076.4 Ų76.439%0.39140%0.397SS..Hα-helixtrans-73.6-35.1171.7-84.4-176.9175.11770113.3D325 S326 T327 M332 N333D325-K329 WeakPolarHBondContact O-CB 3.4Å; D325-K329 WeakPolarHBondContact O-CG 3.06Å; D325-K329 PolarHBondContact O-N 3.47Å; S326-K329 PolarHBondContact O-N 2.94Å; T327-K329 PolarHBondContact O-N 2.69Å; K329-M332 PolarHBondContact O-N 3.49Å; K329-N333 VanDerWaalsContact O-CB 3.25Å; K329-N333 WeakPolarHBondContact O-CB 3.36Å; K329-N333 PolarHBondContact O-N 2.91Å
330S42.5Very low46.1Very low75 Ų7583.5 Ų83.552%0.52443%0.428SS..Hα-helixtrans-64.3-43.1174.2179.40000111.6S326 T327 S334S326-S330 WeakPolarHBondContact O-CB 3.48Å; S326-S330 PolarHBondContact O-N 3.49Å; T327-S330 PolarHBondContact O-N 2.97Å; S330-S334 VanDerWaalsContact O-CB 3.31Å; S330-S334 WeakPolarHBondContact O-CB 3.2Å; S330-S334 PolarHBondContact O-N 2.96Å
331Q39.9Very low45.7Very low128 Ų12888.3 Ų88.360%0.59845%0.454SS*.Hα-helixtrans-67-45.1174.2-81.2-178.9-50.300111.1T327 N333 S334 Q335T327-Q331 PolarHBondContact O-N 3.4Å; Q331-N333 PolarHBondContact O-N 3.35Å; Q331-S334 PolarHBondContact O-N 3.44Å; Q331-Q335 VanDerWaalsContact O-CB 3.28Å; Q331-Q335 WeakPolarHBondContact O-CB 3.27Å; Q331-Q335 PolarHBondContact O-N 3.15Å
332M39.6Very low45.9Very low117 Ų11792.9 Ų92.958%0.57647%0.465SS*.Hα-helixtrans-67.5-33.6-179.7-158.2157.482.100113.2R328 K329 N336R328-M332 WeakPolarHBondContact O-CB 3.39Å; R328-M332 PolarHBondContact O-N 2.86Å; K329-M332 PolarHBondContact O-N 3.49Å; M332-N336 WeakPolarHBondContact O-CB 3.31Å; M332-N336 PolarHBondContact O-N 3.3Å
333N43.2Very low46.3Very low113 Ų11397.5 Ų97.560%0.60449%0.49SS*.Hα-helixtrans-73.2-35.3172.6-83.45.4000112.7K329 Q331 Q335 S337K329-N333 VanDerWaalsContact O-CB 3.25Å; K329-N333 WeakPolarHBondContact O-CB 3.36Å; K329-N333 PolarHBondContact O-N 2.91Å; Q331-N333 PolarHBondContact O-N 3.35Å; N333-Q335 VanDerWaalsContact C-N 3.29Å; N333-S337 WeakPolarHBondContact O-CB 3.46Å; N333-S337 PolarHBondContact O-N 2.91Å; N333-S337 PolarHBondContact O-OG 3.47Å
334S45.9Very low47.1Very low43 Ų4399 Ų9930%0.30150%0.501SS..Hα-helixtrans-71.7-25.9174.6179.40000112.7S330 Q331 S337 R338S330-S334 VanDerWaalsContact O-CB 3.31Å; S330-S334 WeakPolarHBondContact O-CB 3.2Å; S330-S334 PolarHBondContact O-N 2.96Å; Q331-S334 PolarHBondContact O-N 3.44Å; S334-S337 WeakPolarHBondContact CA-OG 3.28Å; S334-S337 PolarHBondContact O-OG 3.45Å; S334-R338 PolarHBondContact O-N 3.27Å; S334-R338 PolarHBondContact O-NE 2.98Å; S334-R338 PolarHBondContact OG-NH2 2.99Å
335Q50.7Low48Very low124 Ų124101.8 Ų101.858%0.57951%0.512SS*.Hα-helixtrans-82-44.4176.2-154.2144.7-0.400110.4Q331 N333 S337 R338 D339Q331-Q335 VanDerWaalsContact O-CB 3.28Å; Q331-Q335 WeakPolarHBondContact O-CB 3.27Å; Q331-Q335 PolarHBondContact O-N 3.15Å; N333-Q335 VanDerWaalsContact C-N 3.29Å; Q335-S337 VanDerWaalsContact C-N 3.29Å; Q335-S337 PolarHBondContact O-N 3.29Å; Q335-R338 PolarHBondContact O-N 3Å; Q335-R338 VanDerWaalsContact O-N 3.15Å; Q335-D339 PolarHBondContact O-N 3.25Å
336N48.8Very low48.9Very low97 Ų97101.8 Ų101.852%0.51952%0.515SS..Hα-helixtrans-62-30.4170.6-92.76000113.9M332 K340M332-N336 WeakPolarHBondContact O-CB 3.31Å; M332-N336 PolarHBondContact O-N 3.3Å; N336-K340 WeakPolarHBondContact O-CB 3.15Å; N336-K340 WeakPolarHBondContact O-CG 3.34Å; N336-K340 PolarHBondContact O-N 3.18Å; N336-K340 VanDerWaalsContact O-N 3.16Å
337S53.2Low49.9Very low58 Ų58105.1 Ų105.141%0.40653%0.533SS..Hα-helixtrans-73.4-38.2174.266.30000111.7N333 S334 Q335 K340 D341N333-S337 WeakPolarHBondContact O-CB 3.46Å; N333-S337 PolarHBondContact O-N 2.91Å; N333-S337 PolarHBondContact O-OG 3.47Å; S334-S337 WeakPolarHBondContact CA-OG 3.28Å; S334-S337 PolarHBondContact O-OG 3.45Å; Q335-S337 VanDerWaalsContact C-N 3.29Å; Q335-S337 PolarHBondContact O-N 3.29Å; S337-K340 PolarHBondContact O-N 2.98Å; S337-D341 PolarHBondContact O-N 3.22Å
338R53.8Low50.8Low157 Ų157106.6 Ų106.659%0.59254%0.538SS*.Hα-helixtrans-70.7-35.8176.7-87.7-176.2-93.5-168.2-11.2113.1S334 Q335 K342S334-R338 PolarHBondContact O-N 3.27Å; S334-R338 PolarHBondContact O-NE 2.98Å; S334-R338 PolarHBondContact OG-NH2 2.99Å; Q335-R338 PolarHBondContact O-N 3Å; Q335-R338 VanDerWaalsContact O-N 3.15Å; R338-K342 WeakPolarHBondContact O-CG 3.32Å; R338-K342 PolarHBondContact O-N 3.38Å; R338-K342 VanDerWaalsContact O-N 3.13Å
339D55.2Low51.7Low76 Ų76104.1 Ų104.141%0.40653%0.534SS..Hα-helixtrans-71.5-36.6174.7-72.8-21.7000111.1Q335 K342 D343Q335-D339 PolarHBondContact O-N 3.25Å; D339-K342 PolarHBondContact O-N 3.28Å; D339-D343 WeakPolarHBondContact O-CB 3.49Å; D339-D343 PolarHBondContact O-N 2.85Å
340K55.4Low52.4Low154 Ų154105 Ų10567%0.6754%0.543SS*.Hα-helixtrans-64.9-37.7172.6-83-172.1174.3-166.60114.2N336 S337 A344N336-K340 WeakPolarHBondContact O-CB 3.15Å; N336-K340 WeakPolarHBondContact O-CG 3.34Å; N336-K340 PolarHBondContact O-N 3.18Å; N336-K340 VanDerWaalsContact O-N 3.16Å; S337-K340 PolarHBondContact O-N 2.98Å; K340-A344 WeakPolarHBondContact O-CB 3.5Å; K340-A344 PolarHBondContact O-N 2.91Å
341D57.3Low52.9Low115 Ų115108.1 Ų108.162%0.61555%0.547SS*.Hα-helixtrans-67.7-38.5174.9-81-20.1000111S337 A344 E345S337-D341 PolarHBondContact O-N 3.22Å; D341-A344 PolarHBondContact O-N 2.84Å; D341-E345 WeakPolarHBondContact O-CB 3.33Å; D341-E345 PolarHBondContact O-N 3.44Å
342K58.1Low53.5Low128 Ų128107.5 Ų107.556%0.55755%0.548SS*.Hα-helixtrans-65.8-42.9174.5-74.7178.5175.8-172.30112.8R338 D339 A344 E345 V346R338-K342 WeakPolarHBondContact O-CG 3.32Å; R338-K342 PolarHBondContact O-N 3.38Å; R338-K342 VanDerWaalsContact O-N 3.13Å; D339-K342 PolarHBondContact O-N 3.28Å; K342-A344 VanDerWaalsContact C-N 3.31Å; K342-A344 PolarHBondContact O-N 2.95Å; K342-E345 PolarHBondContact O-N 3.38Å; K342-V346 VanDerWaalsContact O-CG2 3.28Å; K342-V346 WeakPolarHBondContact O-CG2 3.4Å; K342-V346 PolarHBondContact O-N 2.98Å
343D57.9Low54Low104 Ų104104.9 Ų104.956%0.55654%0.541SS*.Hα-helixtrans-65.7-36.1177.1-67.9-25.1000111.2D339 V347D339-D343 WeakPolarHBondContact O-CB 3.49Å; D339-D343 PolarHBondContact O-N 2.85Å; D343-V347 WeakPolarHBondContact O-CB 3.36Å; D343-V347 WeakPolarHBondContact O-CG2 3.43Å; D343-V347 PolarHBondContact O-N 2.91Å; D343-V347 VanDerWaalsContact O-N 3.09Å
344A58.8Low54.4Low49 Ų49102.3 Ų102.341%0.40553%0.532SS..Hα-helixtrans-69-37.1174.700000112.7K340 D341 K342 V347 L348K340-A344 WeakPolarHBondContact O-CB 3.5Å; K340-A344 PolarHBondContact O-N 2.91Å; D341-A344 PolarHBondContact O-N 2.84Å; K342-A344 VanDerWaalsContact C-N 3.31Å; K342-A344 PolarHBondContact O-N 2.95Å; A344-V347 PolarHBondContact O-N 3.45Å; A344-L348 WeakPolarHBondContact O-CD1 3.42Å; A344-L348 WeakPolarHBondContact O-CG 3.36Å; A344-L348 PolarHBondContact O-N 3.34Å; A344-L348 VanDerWaalsContact O-N 3.08Å
345E55.8Low54.5Low130 Ų130104.6 Ų104.661%0.60755%0.545SS*.Hα-helixtrans-69.3-37.8177-164.5169.1-172.900112D341 K342 L348 Q349D341-E345 WeakPolarHBondContact O-CB 3.33Å; D341-E345 PolarHBondContact O-N 3.44Å; K342-E345 PolarHBondContact O-N 3.38Å; E345-L348 PolarHBondContact O-N 2.97Å; E345-Q349 PolarHBondContact O-N 3.06Å; E345-Q349 VanDerWaalsContact O-N 3.08Å
346V60.3Low54.2Low80 Ų80104.2 Ų104.249%0.48555%0.547SS..Hα-helixtrans-67-40.7173.3173.40000111.6K342 L348 Q349 D350K342-V346 VanDerWaalsContact O-CG2 3.28Å; K342-V346 WeakPolarHBondContact O-CG2 3.4Å; K342-V346 PolarHBondContact O-N 2.98Å; V346-L348 VanDerWaalsContact C-N 3.31Å; V346-L348 PolarHBondContact O-N 2.88Å; V346-Q349 PolarHBondContact O-N 2.93Å; V346-D350 PolarHBondContact O-N 2.95Å
347V58.6Low54.1Low97 Ų97103 Ų10359%0.58855%0.546SS*.Hα-helixtrans-67.3-31.2176.9170.60000112.3D343 A344 K351D343-V347 WeakPolarHBondContact O-CB 3.36Å; D343-V347 WeakPolarHBondContact O-CG2 3.43Å; D343-V347 PolarHBondContact O-N 2.91Å; D343-V347 VanDerWaalsContact O-N 3.09Å; A344-V347 PolarHBondContact O-N 3.45Å; V347-K351 WeakPolarHBondContact O-CB 3.45Å; V347-K351 PolarHBondContact O-N 2.93Å
348L56.6Low53.7Low114 Ų114105.9 Ų105.960%0.59756%0.556SS**Hα-helixtrans-70.8-42173.1-79.9158000111.5A344 E345 V346 K351 D352A344-L348 WeakPolarHBondContact O-CD1 3.42Å; A344-L348 WeakPolarHBondContact O-CG 3.36Å; A344-L348 PolarHBondContact O-N 3.34Å; A344-L348 VanDerWaalsContact O-N 3.08Å; E345-L348 PolarHBondContact O-N 2.97Å; V346-L348 VanDerWaalsContact C-N 3.31Å; V346-L348 PolarHBondContact O-N 2.88Å; L348-K351 PolarHBondContact O-N 3.42Å; L348-D352 PolarHBondContact O-N 3.2Å
349Q54.9Low53.2Low138 Ų138101.7 Ų101.765%0.64555%0.551SS**Hα-helixtrans-64.5-38.2175.2-90.5-175.1-14.100113.5E345 V346 K351 D352 S353E345-Q349 PolarHBondContact O-N 3.06Å; E345-Q349 VanDerWaalsContact O-N 3.08Å; V346-Q349 PolarHBondContact O-N 2.93Å; Q349-K351 VanDerWaalsContact C-N 3.27Å; Q349-K351 PolarHBondContact O-N 3.28Å; Q349-D352 PolarHBondContact O-N 3.35Å; Q349-S353 PolarHBondContact O-N 2.92Å; Q349-S353 VanDerWaalsContact O-N 3.13Å; Q349-S353 PolarHBondContact O-OG 3.25Å
350D54.3Low52.8Low108 Ų108104.3 Ų104.358%0.57856%0.564SS**Hα-helixtrans-70-24.8176.5-101.5-12.1000113.1V346 S353 S354V346-D350 PolarHBondContact O-N 2.95Å; D350-S353 WeakPolarHBondContact CA-OG 3.38Å; D350-S353 PolarHBondContact O-OG 3.31Å; D350-S354 WeakPolarHBondContact O-CB 2.94Å; D350-S354 PolarHBondContact O-N 3.06Å; D350-S354 PolarHBondContact O-OG 2.81Å
351K53.3Low52.3Low140 Ų140103.2 Ų103.261%0.60956%0.564SS**Hα-helixtrans-77.8-32.5176.9-147.7171.9-174.31780112V347 L348 Q349 S354 T355V347-K351 WeakPolarHBondContact O-CB 3.45Å; V347-K351 PolarHBondContact O-N 2.93Å; L348-K351 PolarHBondContact O-N 3.42Å; Q349-K351 VanDerWaalsContact C-N 3.27Å; Q349-K351 PolarHBondContact O-N 3.28Å; K351-S354 PolarHBondContact O-OG 2.74Å; K351-T355 WeakPolarHBondContact O-CB 3.5Å; K351-T355 PolarHBondContact O-N 3.22Å; K351-T355 PolarHBondContact O-OG1 3.44Å
352D51.6Low51.4Low115 Ų115106.5 Ų106.562%0.61557%0.573SS**Hα-helixtrans-75.6-35.2175.1-72.7-19000112L348 Q349 N356L348-D352 PolarHBondContact O-N 3.2Å; Q349-D352 PolarHBondContact O-N 3.35Å; D352-N356 PolarHBondContact O-N 3.06Å
353S51.1Low50.7Low62 Ų62105.6 Ų105.643%0.43458%0.583SS.*Hα-helixtrans-70.9-36.7176.365.60000113.3Q349 D350 S357Q349-S353 PolarHBondContact O-N 2.92Å; Q349-S353 VanDerWaalsContact O-N 3.13Å; Q349-S353 PolarHBondContact O-OG 3.25Å; D350-S353 WeakPolarHBondContact CA-OG 3.38Å; D350-S353 PolarHBondContact O-OG 3.31Å; S353-S357 PolarHBondContact O-N 2.95Å; S353-S357 PolarHBondContact O-OG 3.36Å; S353-S357 VanDerWaalsContact O-OG 3.12Å
354S50.2Low50.1Low60 Ų60104.9 Ų104.942%0.4259%0.591SS.*Hα-helixtrans-76.8-26176.751.30000113.4D350 K351D350-S354 WeakPolarHBondContact O-CB 2.94Å; D350-S354 PolarHBondContact O-N 3.06Å; D350-S354 PolarHBondContact O-OG 2.81Å; K351-S354 PolarHBondContact O-OG 2.74Å
355T48.2Very low49.6Very low91 Ų91111.7 Ų111.756%0.55861%0.612SS**Hα-helixtrans-73.1-34.8173.6-55.90000111.8K351 S357K351-T355 WeakPolarHBondContact O-CB 3.5Å; K351-T355 PolarHBondContact O-N 3.22Å; K351-T355 PolarHBondContact O-OG1 3.44Å; T355-S357 PolarHBondContact O-N 2.86Å
356N45.2Very low49.2Very low116 Ų116112.3 Ų112.362%0.6262%0.624SS**Hα-helixtrans-73.4-21.9175.2-99.8-8.2000114.4D352 S359D352-N356 PolarHBondContact O-N 3.06Å; N356-S359 PolarHBondContact O-OG 3.28Å; N356-S359 VanDerWaalsContact O-OG 3.06Å
357S46.9Very low48.3Very low71 Ų71112.5 Ų112.550%0.49764%0.643SS.*Hα-helixtrans-82.2-26.2178.3-59.10000112.8S353 T355S353-S357 PolarHBondContact O-N 2.95Å; S353-S357 PolarHBondContact O-OG 3.36Å; S353-S357 VanDerWaalsContact O-OG 3.12Å; T355-S357 PolarHBondContact O-N 2.86Å
358N43.7Very low47.4Very low118 Ų118121.5 Ų121.563%0.63167%0.674SS**Hα-helixtrans-83.8-15178.4-84.3-22.2000114.7
359S44.3Very low46.9Very low70 Ų70121.9 Ų121.949%0.4968%0.678SS.*Hα-helixtrans-81.4-26.5173.9580000112.5N356N356-S359 PolarHBondContact O-OG 3.28Å; N356-S359 VanDerWaalsContact O-OG 3.06Å
360I45.3Very low46.5Very low130 Ų130121.1 Ų121.167%0.66768%0.68SS**Hα-helixtrans-81.1-32.2-178.5-59.9174.5000112.2
361I44.9Very low46.1Very low132 Ų132121.8 Ų121.868%0.67769%0.686SS**Hα-helixtrans-79.6-23.1-177.6-62.2174.2000112.7
362K39.8Very low45.7Very low183 Ų183120.7 Ų120.780%0.79669%0.69SS**THydrogen-bonded Turntrans-81.1-11.2178.4-88.9-174.9176.8179.60114.8
363S43.5Very low45.3Very low109 Ų109121.1 Ų121.176%0.76270%0.695SS**THydrogen-bonded Turntrans-92.2-0.3-178.7-154.70000114.9
364A45.8Very low44.9Very low89 Ų89125 Ų12574%0.73671%0.712SS**SBendtrans-108.59.7-175.700000114.9
365K46.8Very low44.5Very low193 Ų193129.6 Ų129.684%0.83973%0.733SS**SBendtrans-133.644.8-174.4-114.5-175.7-173.9-179.80114.4
366T47.5Very low44.2Very low142 Ų142132.6 Ų132.687%0.87175%0.746SS**  trans-160.5109.1160.45.90000109.2
367G41.3Very low44.2Very low85 Ų85134 Ų13488%0.87676%0.757SS**  trans168.867.1179.800000110.1
368K40.3Very low43.9Very low286 Ų286139.7 Ų139.7100%1.24378%0.781SS**  trans-95.70155.8-108-170.9179.3-176.20107.4

Retrieved 368 of 368 residues in 519.3 ms (Link to these results)