A0A061I7X5_CRIGR Loading...

ORAI calcium release-activated calcium modulator 3

AlphaFold DB , UniProt , Accession A0A061I7X5, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Orai3, Length 290 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
1M40.4Very low43.5Very low243 Ų243148.5 Ų148.5100%1.19787%0.874SS**  0117.70-84.4163.5150.800107.8
2K44.2Very low43.7Very low213 Ų213142.4 Ų142.493%0.92685%0.852SS**  trans47.1114.3164.3-81.8173.8163178.30117.4
3G38.7Very low43.8Very low83 Ų83141.3 Ų141.386%0.85685%0.851SS**  cis77.7124.739.700000109.6
4G42.7Very low44Very low67 Ų67143.4 Ų143.469%0.69185%0.854SS**  cis178.9167.74.700000109.4
5E46.7Very low44.7Very low202 Ų202143.7 Ų143.794%0.94485%0.849SS**  trans42.4124.5152.1-73.4153.789.200122.5
6G44.4Very low45.1Very low81 Ų81141.6 Ų141.684%0.83584%0.841SS**  102.6145.410700000109.4
7D40.5Very low44.9Very low158 Ų158137.5 Ų137.585%0.84584%0.835SS**  cis-166.7166.227.7-176.626.6000109.1
8T51.6Low45.3Very low130 Ų130134.7 Ų134.780%0.79883%0.829SS**  trans-79.3121.3-175.6-48.90000110.6
9G39.7Very low45.5Very low68 Ų68136.1 Ų136.170%0.70183%0.83SS**  trans-12291.5177.900000112.1Q11G9-Q11 PolarHBondContact O-N 3.12Å
10E44.5Very low45.6Very low196 Ų196133.4 Ų133.492%0.91682%0.818SS**  trans-47.5108.6167.7-167.3158.186.300111.2A12E10-A12 PolarHBondContact O-N 3.07Å; E10-A12 VanDerWaalsContact O-N 3.11Å
11Q44.7Very low45.9Very low193 Ų193132.4 Ų132.490%0.90281%0.814SS**  trans-7994.7172.6-79-177.413.800109.1G9G9-Q11 PolarHBondContact O-N 3.12Å
12A46.9Very low46.6Very low75 Ų75123.9 Ų123.962%0.6278%0.782SS**  trans-55.7143.4165.600000110.7E10 L14E10-A12 PolarHBondContact O-N 3.07Å; E10-A12 VanDerWaalsContact O-N 3.11Å; A12-L14 PolarHBondContact O-N 2.86Å
13P44.8Very low47.1Very low128 Ų128116 Ų11683%0.83176%0.761SS**  trans-66.9112176.926.8-30.3000108.6N15P13-N15 PolarHBondContact O-N 3.46Å
14L46.5Very low48Very low170 Ų170115.3 Ų115.389%0.8974%0.743SS**  trans-57105.8174.2-79158.6000109A12 P16A12-L14 PolarHBondContact O-N 2.86Å; L14-P16 WeakPolarHBondContact O-CD 3.4Å
15N54.9Low49.2Very low148 Ų148114.6 Ų114.679%0.79173%0.731SS**  trans-60.1118.7167.4-167.5-3000107.8P13 G17P13-N15 PolarHBondContact O-N 3.46Å; N15-G17 PolarHBondContact O-N 3.2Å; N15-G17 VanDerWaalsContact O-N 3.11Å
16P50.7Low50.7Low111 Ų111109.4 Ų109.472%0.72171%0.713SS**  trans-71.4113.8179.227.2-29.1000108.5L14 A18L14-P16 WeakPolarHBondContact O-CD 3.4Å; P16-A18 PolarHBondContact O-N 2.8Å
17G42.1Very low52.1Low71 Ų71113.5 Ų113.573%0.73270%0.704SS**  trans-51.8133.2169.400000110.4N15N15-G17 PolarHBondContact O-N 3.2Å; N15-G17 VanDerWaalsContact O-N 3.11Å
18A52.3Low53.9Low88 Ų88115.2 Ų115.273%0.72770%0.699SS**SBendtrans-54.3155.4168.300000110.5P16P16-A18 PolarHBondContact O-N 2.8Å
19D48.9Very low55.1Low160 Ų160115.3 Ų115.386%0.85669%0.69SS**  trans98.245.1170-49-25.7000117.1
20S46.9Very low57.2Low83 Ų83119.7 Ų119.758%0.5869%0.69SS**  trans-134.4113.6150.8-131.40000110.8A22 G23S20-A22 PolarHBondContact O-N 3.29Å; S20-G23 PolarHBondContact O-N 2.78Å; S20-G23 VanDerWaalsContact O-N 3.13Å
21P51.9Low59.1Low113 Ų113113.7 Ų113.773%0.73467%0.667SS**Hα-helixtrans-59.5-23.7-179.321.1-29.7000112.2S24 A25P21-S24 PolarHBondContact O-OG 3.27Å; P21-A25 PolarHBondContact O-N 3.07Å
22A54.1Low60.9Low64 Ų64109.9 Ų109.953%0.52965%0.649SS.*Hα-helixtrans-67.4-40.2176.400000114.1S20 A25 T26S20-A22 PolarHBondContact O-N 3.29Å; A22-A25 WeakPolarHBondContact O-CB 3.36Å; A22-A25 PolarHBondContact O-N 3.24Å; A22-T26 PolarHBondContact O-N 3.15Å; A22-T26 PolarHBondContact O-OG1 3.3Å; A22-T26 VanDerWaalsContact O-OG1 3.08Å
23G55.4Low62.7Low46 Ų46115.7 Ų115.747%0.47466%0.655SS.*Hα-helixtrans-70.6-34.3-17900000113S20 A25 T26 Y27S20-G23 PolarHBondContact O-N 2.78Å; S20-G23 VanDerWaalsContact O-N 3.13Å; G23-A25 VanDerWaalsContact C-N 3.33Å; G23-T26 PolarHBondContact O-N 2.92Å; G23-Y27 PolarHBondContact O-N 3.34Å; G23-Y27 VanDerWaalsContact O-N 3.15Å
24S58.2Low64.5Low70 Ų70111.7 Ų111.749%0.4964%0.637SS.*Hα-helixtrans-66.5-35.8173.881.40000112.1P21 R28P21-S24 PolarHBondContact O-OG 3.27Å; S24-R28 WeakPolarHBondContact O-CB 3.46Å; S24-R28 VanDerWaalsContact O-CG 3.26Å; S24-R28 WeakPolarHBondContact O-CG 3.38Å; S24-R28 PolarHBondContact O-N 2.95Å; S24-R28 VanDerWaalsContact O-N 3.11Å
25A66.6Low66Low52 Ų52109.8 Ų109.843%0.4362%0.619SS.*Hα-helixtrans-64.8-45.7176.900000110.7P21 A22 G23 R28 E29P21-A25 PolarHBondContact O-N 3.07Å; A22-A25 WeakPolarHBondContact O-CB 3.36Å; A22-A25 PolarHBondContact O-N 3.24Å; G23-A25 VanDerWaalsContact C-N 3.33Å; A25-R28 PolarHBondContact O-N 3.5Å; A25-E29 VanDerWaalsContact O-CB 3.27Å; A25-E29 WeakPolarHBondContact O-CB 3.32Å; A25-E29 PolarHBondContact O-N 3.41Å
26T78.4Confident67.4Low92 Ų92107.3 Ų107.356%0.56461%0.605SS**Hα-helixtrans-67-40.2-179.2-450000113.2A22 G23 E29 F30A22-T26 PolarHBondContact O-N 3.15Å; A22-T26 PolarHBondContact O-OG1 3.3Å; A22-T26 VanDerWaalsContact O-OG1 3.08Å; G23-T26 PolarHBondContact O-N 2.92Å; T26-E29 PolarHBondContact O-N 3.37Å; T26-F30 WeakPolarHBondContact O-CB 3.34Å; T26-F30 PolarHBondContact O-N 3.39Å
27Y74.3Confident68.7Low168 Ų168108.2 Ų108.266%0.65960%0.604SS**Hα-helixtrans-65.1-45.3175.1178.2-100.4000111.5G23 E29 F30 V31G23-Y27 PolarHBondContact O-N 3.34Å; G23-Y27 VanDerWaalsContact O-N 3.15Å; Y27-E29 PolarHBondContact O-N 3.06Å; Y27-F30 PolarHBondContact O-N 2.92Å; Y27-V31 HydrophobicContact CD1-CG2 4.13Å; Y27-V31 HydrophobicContact CD2-CG2 4.29Å; Y27-V31 HydrophobicContact CE1-CG2 3.69Å; Y27-V31 HydrophobicContact CE2-CG2 3.87Å; Y27-V31 HydrophobicContact CG-CG2 4.42Å; Y27-V31 VanDerWaalsContact O-CG2 3.32Å; Y27-V31 WeakPolarHBondContact O-CG2 3.46Å; Y27-V31 PolarHBondContact O-N 3.45Å
28R77.7Confident70.5Confident193 Ų193110.8 Ų110.873%0.72860%0.6SS**Hα-helixtrans-59.5-38.7175.9-73.7-176.880.796.12.4111.5S24 A25 H32S24-R28 WeakPolarHBondContact O-CB 3.46Å; S24-R28 VanDerWaalsContact O-CG 3.26Å; S24-R28 WeakPolarHBondContact O-CG 3.38Å; S24-R28 PolarHBondContact O-N 2.95Å; S24-R28 VanDerWaalsContact O-N 3.11Å; A25-R28 PolarHBondContact O-N 3.5Å; R28-H32 WeakPolarHBondContact O-CB 3.47Å; R28-H32 PolarHBondContact O-N 2.97Å
29E78Confident71.5Confident132 Ų132110.8 Ų110.862%0.61759%0.586SS**Hα-helixtrans-70.9-39.1179.2-156.7161.6-148.200112A25 T26 Y27 H32 R33A25-E29 VanDerWaalsContact O-CB 3.27Å; A25-E29 WeakPolarHBondContact O-CB 3.32Å; A25-E29 PolarHBondContact O-N 3.41Å; T26-E29 PolarHBondContact O-N 3.37Å; Y27-E29 PolarHBondContact O-N 3.06Å; E29-H32 PolarHBondContact O-N 3.31Å; E29-R33 VanDerWaalsContact O-CB 3.25Å; E29-R33 WeakPolarHBondContact O-CB 3.43Å; E29-R33 PolarHBondContact O-N 3.46Å
30F82.9Confident72.8Confident160 Ų160104.4 Ų104.470%0.70256%0.558SS**Hα-helixtrans-63.3-47.2173.3-173.1-94000111.9T26 Y27 R33 G34T26-F30 WeakPolarHBondContact O-CB 3.34Å; T26-F30 PolarHBondContact O-N 3.39Å; Y27-F30 PolarHBondContact O-N 2.92Å; F30-R33 PolarHBondContact O-N 3.5Å; F30-G34 PolarHBondContact O-N 3.37Å
31V84.6Confident74.2Confident70 Ų70103.2 Ų103.242%0.42455%0.553SS.*Hα-helixtrans-65.1-41.3177.1176.10000110.9Y27 R33 G34 Y35Y27-V31 HydrophobicContact CD1-CG2 4.13Å; Y27-V31 HydrophobicContact CD2-CG2 4.29Å; Y27-V31 HydrophobicContact CE1-CG2 3.69Å; Y27-V31 HydrophobicContact CE2-CG2 3.87Å; Y27-V31 HydrophobicContact CG-CG2 4.42Å; Y27-V31 VanDerWaalsContact O-CG2 3.32Å; Y27-V31 WeakPolarHBondContact O-CG2 3.46Å; Y27-V31 PolarHBondContact O-N 3.45Å; V31-R33 VanDerWaalsContact C-N 3.34Å; V31-R33 PolarHBondContact O-N 3.21Å; V31-G34 PolarHBondContact O-N 3.33Å; V31-Y35 VanDerWaalsContact O-CB 3.28Å; V31-Y35 WeakPolarHBondContact O-CB 3.49Å; V31-Y35 PolarHBondContact O-N 3.46Å
32H82.5Confident75.2Confident113 Ų113100 Ų10052%0.52353%0.533SS..Hα-helixtrans-63.1-41176.3-172.1-98.3000111.5R28 E29 Y35 L36R28-H32 WeakPolarHBondContact O-CB 3.47Å; R28-H32 PolarHBondContact O-N 2.97Å; E29-H32 PolarHBondContact O-N 3.31Å; H32-Y35 PolarHBondContact O-N 3.32Å; H32-L36 WeakPolarHBondContact O-CB 3.25Å; H32-L36 WeakPolarHBondContact O-CG 3.29Å; H32-L36 PolarHBondContact O-N 2.88Å
33R85Confident76.2Confident197 Ų19799 Ų9974%0.74352%0.518SS*.Hα-helixtrans-68.5-42.1178.4-154.1164.4-169.6-172.51.4112E29 F30 V31 Y35 L36 D37E29-R33 VanDerWaalsContact O-CB 3.25Å; E29-R33 WeakPolarHBondContact O-CB 3.43Å; E29-R33 PolarHBondContact O-N 3.46Å; F30-R33 PolarHBondContact O-N 3.5Å; V31-R33 VanDerWaalsContact C-N 3.34Å; V31-R33 PolarHBondContact O-N 3.21Å; R33-Y35 VanDerWaalsContact C-N 3.35Å; R33-L36 PolarHBondContact O-N 3.03Å; R33-D37 WeakPolarHBondContact O-CB 3.06Å; R33-D37 PolarHBondContact O-N 3.47Å
34G81.9Confident77Confident44 Ų44102.9 Ų102.945%0.45452%0.523SS..Hα-helixtrans-63.9-37.5172.700000113.1F30 V31 D37 L38F30-G34 PolarHBondContact O-N 3.37Å; V31-G34 PolarHBondContact O-N 3.33Å; G34-D37 PolarHBondContact O-N 3.21Å; G34-L38 WeakPolarHBondContact O-CB 3.48Å; G34-L38 PolarHBondContact O-N 2.86Å
35Y79.9Confident78Confident131 Ų131102.6 Ų102.651%0.51452%0.521SS..Hα-helixtrans-66.4-43.1174.5-177.3-100.3000112.2V31 H32 R33 D37 L38 M39V31-Y35 VanDerWaalsContact O-CB 3.28Å; V31-Y35 WeakPolarHBondContact O-CB 3.49Å; V31-Y35 PolarHBondContact O-N 3.46Å; H32-Y35 PolarHBondContact O-N 3.32Å; R33-Y35 VanDerWaalsContact C-N 3.35Å; Y35-D37 VanDerWaalsContact C-N 3.35Å; Y35-L38 PolarHBondContact O-N 3.36Å; Y35-M39 HydrophobicContact CD1-CG 4.05Å; Y35-M39 HydrophobicContact CE1-CE 3.73Å; Y35-M39 HydrophobicContact CE1-CG 3.73Å; Y35-M39 HydrophobicContact CE1-SD 4.28Å; Y35-M39 HydrophobicContact CE2-CG 4.23Å; Y35-M39 HydrophobicContact CG-CG 4.44Å; Y35-M39 VanDerWaalsContact O-CB 3.24Å; Y35-M39 WeakPolarHBondContact O-CB 3.23Å; Y35-M39 WeakPolarHBondContact O-CG 3.35Å; Y35-M39 PolarHBondContact O-N 3.21Å; Y35-M39 WeakPolarHBondContact OH-CE 3.34Å
36L82.8Confident78.3Confident96 Ų96104.6 Ų104.650%0.50352%0.524SS..Hα-helixtrans-64.2-38.6175.8-75.1179.6000112.3H32 R33 G40H32-L36 WeakPolarHBondContact O-CB 3.25Å; H32-L36 WeakPolarHBondContact O-CG 3.29Å; H32-L36 PolarHBondContact O-N 2.88Å; R33-L36 PolarHBondContact O-N 3.03Å; L36-G40 PolarHBondContact O-N 3.32Å
37D79.2Confident78Confident130 Ų130104.7 Ų104.770%0.69551%0.514SS*.Hα-helixtrans-70.2-41.3179.2-143.331000111.3R33 G34 Y35 G40 A41R33-D37 WeakPolarHBondContact O-CB 3.06Å; R33-D37 PolarHBondContact O-N 3.47Å; G34-D37 PolarHBondContact O-N 3.21Å; Y35-D37 VanDerWaalsContact C-N 3.35Å; D37-G40 PolarHBondContact O-N 3.04Å; D37-A41 WeakPolarHBondContact O-CB 3.31Å; D37-A41 PolarHBondContact O-N 2.82Å
38L79.1Confident78.2Confident125 Ų12599 Ų9965%0.65450%0.502SS*.Hα-helixtrans-64.9-44.4173.5-175.465.7000112G34 Y35 G40 A41 S42G34-L38 WeakPolarHBondContact O-CB 3.48Å; G34-L38 PolarHBondContact O-N 2.86Å; Y35-L38 PolarHBondContact O-N 3.36Å; L38-G40 VanDerWaalsContact C-N 3.35Å; L38-A41 PolarHBondContact O-N 2.9Å; L38-S42 WeakPolarHBondContact O-CB 3.03Å; L38-S42 PolarHBondContact O-N 2.96Å
39M73.4Confident78Confident87 Ų8793.7 Ų93.743%0.42949%0.487SS..Hα-helixtrans-61-43.5174-77.1-87.8-9800110.8Y35 S42 Q43Y35-M39 HydrophobicContact CD1-CG 4.05Å; Y35-M39 HydrophobicContact CE1-CE 3.73Å; Y35-M39 HydrophobicContact CE1-CG 3.73Å; Y35-M39 HydrophobicContact CE1-SD 4.28Å; Y35-M39 HydrophobicContact CE2-CG 4.23Å; Y35-M39 HydrophobicContact CG-CG 4.44Å; Y35-M39 VanDerWaalsContact O-CB 3.24Å; Y35-M39 WeakPolarHBondContact O-CB 3.23Å; Y35-M39 WeakPolarHBondContact O-CG 3.35Å; Y35-M39 PolarHBondContact O-N 3.21Å; Y35-M39 WeakPolarHBondContact OH-CE 3.34Å; M39-S42 PolarHBondContact O-N 3.02Å; M39-S42 PolarHBondContact O-OG 2.97Å; M39-Q43 VanDerWaalsContact O-CG 3.27Å; M39-Q43 WeakPolarHBondContact O-CG 3.38Å; M39-Q43 PolarHBondContact O-N 3.34Å
40G76.1Confident77.8Confident26 Ų2689.5 Ų89.527%0.26847%0.473SS..Hα-helixtrans-59.4-50.5174.800000112.5L36 D37 L38 S42 Q43 H44L36-G40 PolarHBondContact O-N 3.32Å; D37-G40 PolarHBondContact O-N 3.04Å; L38-G40 VanDerWaalsContact C-N 3.35Å; G40-S42 VanDerWaalsContact C-N 3.33Å; G40-S42 PolarHBondContact O-N 3.32Å; G40-Q43 PolarHBondContact O-N 2.82Å; G40-H44 PolarHBondContact O-CD2 3.37Å; G40-H44 PolarHBondContact O-N 3.23Å
41A75.9Confident77.3Confident59 Ų5990 Ų9049%0.48847%0.47SS..Hα-helixtrans-58.7-42.7177.500000112.3D37 L38 Q43 H44 S45D37-A41 WeakPolarHBondContact O-CB 3.31Å; D37-A41 PolarHBondContact O-N 2.82Å; L38-A41 PolarHBondContact O-N 2.9Å; A41-Q43 PolarHBondContact O-N 3.31Å; A41-H44 PolarHBondContact O-N 3.35Å; A41-S45 PolarHBondContact O-N 2.94Å
42S74Confident77.1Confident45 Ų4594.9 Ų94.932%0.31548%0.481SS..Hα-helixtrans-62.7-42.7176.576.20000112L38 M39 G40 H44 S45 L46L38-S42 WeakPolarHBondContact O-CB 3.03Å; L38-S42 PolarHBondContact O-N 2.96Å; M39-S42 PolarHBondContact O-N 3.02Å; M39-S42 PolarHBondContact O-OG 2.97Å; G40-S42 VanDerWaalsContact C-N 3.33Å; G40-S42 PolarHBondContact O-N 3.32Å; S42-H44 PolarHBondContact O-N 3.26Å; S42-S45 PolarHBondContact O-N 3.43Å; S42-S45 PolarHBondContact O-OG 3.45Å; S42-L46 VanDerWaalsContact O-CG 3.31Å; S42-L46 WeakPolarHBondContact O-CG 2.98Å; S42-L46 PolarHBondContact O-N 2.84Å
43Q73.6Confident76.9Confident44 Ų4497.7 Ų97.721%0.20649%0.487CS..Hα-helixtrans-63.4-41.3177.4-72.4-72.8-27.600112.3M39 G40 A41 L46 R47 N133M39-Q43 VanDerWaalsContact O-CG 3.27Å; M39-Q43 WeakPolarHBondContact O-CG 3.38Å; M39-Q43 PolarHBondContact O-N 3.34Å; G40-Q43 PolarHBondContact O-N 2.82Å; A41-Q43 PolarHBondContact O-N 3.31Å; Q43-L46 PolarHBondContact O-N 2.81Å; Q43-R47 WeakPolarHBondContact O-CB 3.45Å; Q43-R47 VanDerWaalsContact O-CG 3.25Å; Q43-R47 WeakPolarHBondContact O-CG 3.36Å; Q43-R47 PolarHBondContact O-N 2.98Å; Q43-N133 PolarHBondContact NE2-OD1 3.5Å
44H72.7Confident76.5Confident127 Ų12790.2 Ų90.259%0.58846%0.461SS*.Hα-helixtrans-63.7-41.1174.8-76.3-71.2000112.1G40 A41 S42 R47 A48G40-H44 PolarHBondContact O-CD2 3.37Å; G40-H44 PolarHBondContact O-N 3.23Å; A41-H44 PolarHBondContact O-N 3.35Å; S42-H44 PolarHBondContact O-N 3.26Å; H44-R47 PolarHBondContact O-N 3.35Å; H44-A48 PolarHBondContact O-N 3.29Å
45S79.4Confident76.4Confident63 Ų6396 Ų9644%0.44147%0.471SS..Hα-helixtrans-64.7-42.6176.177.40000112.3A41 S42 A48 L49A41-S45 PolarHBondContact O-N 2.94Å; S42-S45 PolarHBondContact O-N 3.43Å; S42-S45 PolarHBondContact O-OG 3.45Å; S45-A48 PolarHBondContact O-N 2.85Å; S45-L49 WeakPolarHBondContact O-CG 3.39Å; S45-L49 PolarHBondContact O-N 3.41Å
46L73.5Confident76.6Confident95 Ų9594.7 Ų94.750%0.49747%0.472SS..Hα-helixtrans-66.6-39.7177.7-68.9175.3000111.9S42 Q43 L49 S50S42-L46 VanDerWaalsContact O-CG 3.31Å; S42-L46 WeakPolarHBondContact O-CG 2.98Å; S42-L46 PolarHBondContact O-N 2.84Å; Q43-L46 PolarHBondContact O-N 2.81Å; L46-L49 PolarHBondContact O-N 3.35Å; L46-S50 PolarHBondContact O-N 3.44Å; L46-S50 PolarHBondContact O-OG 2.85Å
47R72.1Confident76.5Confident94 Ų9490.8 Ų90.836%0.35545%0.453SS..Hα-helixtrans-60.1-44.5172.6-80.8169.8-179.4-168.7-0.6112.3Q43 H44 L49 S50 W51 L132Q43-R47 WeakPolarHBondContact O-CB 3.45Å; Q43-R47 VanDerWaalsContact O-CG 3.25Å; Q43-R47 WeakPolarHBondContact O-CG 3.36Å; Q43-R47 PolarHBondContact O-N 2.98Å; H44-R47 PolarHBondContact O-N 3.35Å; R47-L49 VanDerWaalsContact C-N 3.34Å; R47-L49 PolarHBondContact O-N 3.41Å; R47-S50 PolarHBondContact O-N 3.3Å; R47-S50 PolarHBondContact O-OG 3.05Å; R47-W51 WeakPolarHBondContact O-CB 3.47Å; R47-W51 PolarHBondContact O-N 3.29Å; R47-W51 VanDerWaalsContact O-N 3.11Å; R47-L132 HydrophobicContact CB-CD1 4.28Å; R47-L132 HydrophobicContact CG-CD1 3.17Å
48A77.3Confident76.6Confident48 Ų4890.2 Ų90.240%0.39744%0.441SS..Hα-helixtrans-64.9-38.8177.900000111.9H44 S45 R52H44-A48 PolarHBondContact O-N 3.29Å; S45-A48 PolarHBondContact O-N 2.85Å; A48-R52 WeakPolarHBondContact O-CG 3.37Å; A48-R52 PolarHBondContact O-N 3.32Å
49L73.9Confident76.9Confident81 Ų8186.5 Ų86.542%0.42443%0.429SS..Hα-helixtrans-68.3-41.7177.3-71.3172.4000112.8S45 L46 R47 W51 R52 R53S45-L49 WeakPolarHBondContact O-CG 3.39Å; S45-L49 PolarHBondContact O-N 3.41Å; L46-L49 PolarHBondContact O-N 3.35Å; R47-L49 VanDerWaalsContact C-N 3.34Å; R47-L49 PolarHBondContact O-N 3.41Å; L49-W51 VanDerWaalsContact C-N 3.33Å; L49-R52 PolarHBondContact O-N 3.14Å; L49-R53 WeakPolarHBondContact O-CG 3.5Å; L49-R53 PolarHBondContact O-N 3.13Å
50S73.9Confident77.5Confident44 Ų4486.4 Ų86.431%0.30843%0.426SS..Hα-helixtrans-63.9-40.517764.80000111.2L46 R47 R53 L54L46-S50 PolarHBondContact O-N 3.44Å; L46-S50 PolarHBondContact O-OG 2.85Å; R47-S50 PolarHBondContact O-N 3.3Å; R47-S50 PolarHBondContact O-OG 3.05Å; S50-R53 PolarHBondContact O-N 3.23Å; S50-L54 WeakPolarHBondContact O-CB 3.28Å; S50-L54 PolarHBondContact O-N 3.35Å
51W73.3Confident77.9Confident170 Ų17086 Ų8664%0.64442%0.418SS*.Hα-helixtrans-62.4-43.7174.7-165.7-95.9000112.9R47 L49 L54 Y55R47-W51 WeakPolarHBondContact O-CB 3.47Å; R47-W51 PolarHBondContact O-N 3.29Å; R47-W51 VanDerWaalsContact O-N 3.11Å; L49-W51 VanDerWaalsContact C-N 3.33Å; W51-L54 HydrophobicContact CE3-CD2 4.16Å; W51-L54 HydrophobicContact CZ3-CD2 4.32Å; W51-L54 WeakPolarHBondContact O-CB 3.29Å; W51-L54 PolarHBondContact O-N 3.1Å; W51-Y55 PolarHBondContact O-N 3.27Å
52R80.4Confident78.4Confident173 Ų17389.6 Ų89.665%0.65342%0.422SS*.Hα-helixtrans-63.3-42.9175.1-74176.5-177.5-176.21.8112A48 L49 Y55 L56A48-R52 WeakPolarHBondContact O-CG 3.37Å; A48-R52 PolarHBondContact O-N 3.32Å; L49-R52 PolarHBondContact O-N 3.14Å; R52-Y55 PolarHBondContact O-N 3.19Å; R52-L56 WeakPolarHBondContact O-CB 3.46Å; R52-L56 VanDerWaalsContact O-CG 3.32Å; R52-L56 WeakPolarHBondContact O-CG 3.36Å; R52-L56 PolarHBondContact O-N 2.86Å
53R77.5Confident79.2Confident173 Ų17390 Ų9065%0.65343%0.428SS*.Hα-helixtrans-61.9-45.1176.1-74.8177.8-169.9-93.70.7111.3L49 S50 L56 S57L49-R53 WeakPolarHBondContact O-CG 3.5Å; L49-R53 PolarHBondContact O-N 3.13Å; S50-R53 PolarHBondContact O-N 3.23Å; R53-L56 PolarHBondContact O-N 3.04Å; R53-S57 WeakPolarHBondContact O-CB 3.49Å; R53-S57 PolarHBondContact O-N 3.37Å; R53-S57 PolarHBondContact O-OG 2.92Å; R53-S57 VanDerWaalsContact O-OG 3.1Å
54L76.6Confident79.8Confident39 Ų3988.1 Ų88.120%0.20442%0.42CS..Hα-helixtrans-55.4-52.1175.2167.664000111.7S50 W51 L56 S57 R58 I123S50-L54 WeakPolarHBondContact O-CB 3.28Å; S50-L54 PolarHBondContact O-N 3.35Å; W51-L54 HydrophobicContact CE3-CD2 4.16Å; W51-L54 HydrophobicContact CZ3-CD2 4.32Å; W51-L54 WeakPolarHBondContact O-CB 3.29Å; W51-L54 PolarHBondContact O-N 3.1Å; L54-L56 PolarHBondContact O-N 3.4Å; L54-S57 PolarHBondContact O-N 3.22Å; L54-R58 PolarHBondContact O-N 2.85Å; L54-I123 HydrophobicContact CD1-CB 4.47Å; L54-I123 HydrophobicContact CD1-CG2 3.01Å; L54-I123 HydrophobicContact CG-CG2 4.41Å
55Y80.3Confident80.5Confident166 Ų16684.8 Ų84.865%0.65141%0.411SS*.Hα-helixtrans-64-41.2-179.2-161.5-92.5000112W51 R52 R58 A59W51-Y55 PolarHBondContact O-N 3.27Å; R52-Y55 PolarHBondContact O-N 3.19Å; Y55-R58 PolarHBondContact O-N 3.5Å; Y55-A59 WeakPolarHBondContact O-CB 3.4Å; Y55-A59 PolarHBondContact O-N 3.17Å
56L82.6Confident81Confident103 Ų10390.4 Ų90.454%0.53942%0.422SS..Hα-helixtrans-64.6-43.1175.1-76.5173.2000112.5R52 R53 L54 R58 A59 K60R52-L56 WeakPolarHBondContact O-CB 3.46Å; R52-L56 VanDerWaalsContact O-CG 3.32Å; R52-L56 WeakPolarHBondContact O-CG 3.36Å; R52-L56 PolarHBondContact O-N 2.86Å; R53-L56 PolarHBondContact O-N 3.04Å; L54-L56 PolarHBondContact O-N 3.4Å; L56-R58 VanDerWaalsContact C-N 3.31Å; L56-R58 PolarHBondContact O-N 2.87Å; L56-A59 PolarHBondContact O-N 2.93Å; L56-K60 VanDerWaalsContact O-CB 3.29Å; L56-K60 WeakPolarHBondContact O-CB 3.27Å; L56-K60 WeakPolarHBondContact O-CG 3.26Å; L56-K60 PolarHBondContact O-N 3.31Å
57S80.9Confident81.9Confident15 Ų1589 Ų8911%0.10542%0.417CS..Hα-helixtrans-61.6-42175.8-65.40000110.9R53 L54 A59 K60 L61R53-S57 WeakPolarHBondContact O-CB 3.49Å; R53-S57 PolarHBondContact O-N 3.37Å; R53-S57 PolarHBondContact O-OG 2.92Å; R53-S57 VanDerWaalsContact O-OG 3.1Å; L54-S57 PolarHBondContact O-N 3.22Å; S57-A59 PolarHBondContact O-N 3.2Å; S57-K60 PolarHBondContact O-N 3.32Å; S57-L61 WeakPolarHBondContact O-CG 3.49Å; S57-L61 PolarHBondContact O-N 3.48Å
58R81.6Confident82.8Confident117 Ų11784.6 Ų84.644%0.44240%0.401SS..Hα-helixtrans-62.4-41.2175-169.4176.2176.685.1-3.7112.5L54 Y55 L56 K62 E124L54-R58 PolarHBondContact O-N 2.85Å; Y55-R58 PolarHBondContact O-N 3.5Å; L56-R58 VanDerWaalsContact C-N 3.31Å; L56-R58 PolarHBondContact O-N 2.87Å; R58-K62 PolarHBondContact O-N 3.16Å; R58-E124 IonicContact NH1-OE1 3.91Å
59A86.1Confident83.4Confident48 Ų4885.2 Ų85.240%0.39741%0.406SS..Hα-helixtrans-67-44.1175.200000112Y55 L56 S57 L61 K62 A63Y55-A59 WeakPolarHBondContact O-CB 3.4Å; Y55-A59 PolarHBondContact O-N 3.17Å; L56-A59 PolarHBondContact O-N 2.93Å; S57-A59 PolarHBondContact O-N 3.2Å; A59-L61 PolarHBondContact O-N 2.87Å; A59-K62 PolarHBondContact O-N 3Å; A59-A63 WeakPolarHBondContact O-CB 3.46Å; A59-A63 PolarHBondContact O-N 2.93Å
60K86.7Confident84.3Confident84 Ų8485.7 Ų85.737%0.36541%0.409SS..Hα-helixtrans-57.1-47.5175.5-83.9174162.3171.90111.8L56 S57 K62 A63 S64 E148 W151L56-K60 VanDerWaalsContact O-CB 3.29Å; L56-K60 WeakPolarHBondContact O-CB 3.27Å; L56-K60 WeakPolarHBondContact O-CG 3.26Å; L56-K60 PolarHBondContact O-N 3.31Å; S57-K60 PolarHBondContact O-N 3.32Å; K60-K62 PolarHBondContact O-N 3.47Å; K60-A63 PolarHBondContact O-N 3.42Å; K60-S64 WeakPolarHBondContact O-CB 3.38Å; K60-S64 PolarHBondContact O-N 2.88Å; K60-E148 IonicContact NZ-OE1 2.99Å; K60-E148 PolarHBondContact NZ-OE1 2.98Å; K60-W151 HydrophobicContact CB-CH2 3.63Å; K60-W151 HydrophobicContact CB-CZ2 3.95Å; K60-W151 HydrophobicContact CB-CZ3 4.43Å; K60-W151 HydrophobicContact CD-CH2 3.7Å; K60-W151 HydrophobicContact CD-CZ3 3.81Å; K60-W151 HydrophobicContact CG-CH2 3.7Å; K60-W151 HydrophobicContact CG-CZ2 4.47Å; K60-W151 HydrophobicContact CG-CZ3 4.33Å
61L84.1Confident85.1Confident19 Ų1985.6 Ų85.610%0.09941%0.405CS..Hα-helixtrans-60.5-44.8179.2-69.1172.8000112S57 A59 S64 S65 S116 L119 L120 I123S57-L61 WeakPolarHBondContact O-CG 3.49Å; S57-L61 PolarHBondContact O-N 3.48Å; A59-L61 PolarHBondContact O-N 2.87Å; L61-S64 PolarHBondContact O-N 2.95Å; L61-S65 WeakPolarHBondContact O-CB 3.38Å; L61-S65 PolarHBondContact O-N 2.84Å; L61-S116 WeakPolarHBondContact CD2-O 3.49Å; L61-S116 WeakPolarHBondContact CD2-OG 3.34Å; L61-L119 HydrophobicContact CD1-CB 4.49Å; L61-L119 HydrophobicContact CD2-CB 4.21Å; L61-L120 HydrophobicContact CD1-CB 4.49Å; L61-L120 HydrophobicContact CD1-CD1 4.14Å; L61-I123 HydrophobicContact CD1-CD1 4.01Å
62K86.8Confident85.9Confident133 Ų13378.3 Ų78.358%0.57838%0.38SS*.Hα-helixtrans-64.8-43177-74.4-175.3176.2-179.90112.4R58 A59 K60 R66R58-K62 PolarHBondContact O-N 3.16Å; A59-K62 PolarHBondContact O-N 3Å; K60-K62 PolarHBondContact O-N 3.47Å; K62-R66 PolarHBondContact O-N 3.34Å; K62-R66 VanDerWaalsContact O-N 3.15Å
63A88.9Confident86.4Confident54 Ų5471.6 Ų71.645%0.44636%0.364SS..Hα-helixtrans-65.5-45.217700000111.4A59 K60 S65 R66 T67A59-A63 WeakPolarHBondContact O-CB 3.46Å; A59-A63 PolarHBondContact O-N 2.93Å; K60-A63 PolarHBondContact O-N 3.42Å; A63-S65 VanDerWaalsContact C-N 3.33Å; A63-S65 PolarHBondContact O-N 3.06Å; A63-R66 PolarHBondContact O-N 2.86Å; A63-T67 WeakPolarHBondContact O-CB 3.28Å; A63-T67 VanDerWaalsContact O-CG2 3.31Å; A63-T67 WeakPolarHBondContact O-CG2 3.31Å; A63-T67 PolarHBondContact O-N 3.45Å; A63-T67 PolarHBondContact O-OG1 3.46Å
64S87Confident87Confident4 Ų469.6 Ų69.63%0.02836%0.36CS..Hα-helixtrans-59.4-42.7177.1-166.60000112.2K60 L61 T67 S68 W151K60-S64 WeakPolarHBondContact O-CB 3.38Å; K60-S64 PolarHBondContact O-N 2.88Å; L61-S64 PolarHBondContact O-N 2.95Å; S64-T67 WeakPolarHBondContact CA-OG1 3.36Å; S64-T67 PolarHBondContact O-OG1 3.49Å; S64-T67 VanDerWaalsContact O-OG1 3.12Å; S64-S68 WeakPolarHBondContact O-CB 3.12Å; S64-S68 PolarHBondContact O-N 2.84Å; S64-S68 PolarHBondContact O-OG 2.96Å; S64-W151 PolarHBondContact OG-NE1 3.04Å
65S87.9Confident87.7Confident57 Ų5767.9 Ų67.940%0.39935%0.352SS..Hα-helixtrans-65.5-49.5-180172.90000111.4L61 A63 T67 S68 A69L61-S65 WeakPolarHBondContact O-CB 3.38Å; L61-S65 PolarHBondContact O-N 2.84Å; A63-S65 VanDerWaalsContact C-N 3.33Å; A63-S65 PolarHBondContact O-N 3.06Å; S65-T67 PolarHBondContact O-N 3.29Å; S65-S68 PolarHBondContact O-N 3.44Å; S65-A69 WeakPolarHBondContact O-CB 3.36Å; S65-A69 PolarHBondContact O-N 3.21Å
66R89.4Confident88.2Confident182 Ų18264.6 Ų64.669%0.68734%0.344SS*.Hα-helixtrans-62.1-46.7179.1-171.8-173.6-64.1170.4-2.5112.1K62 A63 A69 L70K62-R66 PolarHBondContact O-N 3.34Å; K62-R66 VanDerWaalsContact O-N 3.15Å; A63-R66 PolarHBondContact O-N 2.86Å; R66-A69 PolarHBondContact O-N 3.27Å; R66-L70 HydrophobicContact CG-CD1 4.12Å; R66-L70 VanDerWaalsContact O-CG 3.31Å; R66-L70 WeakPolarHBondContact O-CG 3.22Å; R66-L70 PolarHBondContact O-N 3.46Å
67T91.5Very high88.6Confident64 Ų6463.6 Ų63.639%0.39334%0.342SS..Hα-helixtrans-66.2-42.5-179.249.70000112A63 S64 S65 A69 L70 L71A63-T67 WeakPolarHBondContact O-CB 3.28Å; A63-T67 VanDerWaalsContact O-CG2 3.31Å; A63-T67 WeakPolarHBondContact O-CG2 3.31Å; A63-T67 PolarHBondContact O-N 3.45Å; A63-T67 PolarHBondContact O-OG1 3.46Å; S64-T67 WeakPolarHBondContact CA-OG1 3.36Å; S64-T67 PolarHBondContact O-OG1 3.49Å; S64-T67 VanDerWaalsContact O-OG1 3.12Å; S65-T67 PolarHBondContact O-N 3.29Å; T67-A69 PolarHBondContact O-N 3.08Å; T67-L70 PolarHBondContact O-N 2.81Å; T67-L71 WeakPolarHBondContact O-CB 3.46Å; T67-L71 WeakPolarHBondContact O-CG 3.28Å; T67-L71 PolarHBondContact O-N 3.27Å
68S91.3Very high89Confident2 Ų264.9 Ų64.91%0.01435%0.353CS..Hα-helixtrans-65-39.2178-60.50000112.2S64 S65 S72 H109S64-S68 WeakPolarHBondContact O-CB 3.12Å; S64-S68 PolarHBondContact O-N 2.84Å; S64-S68 PolarHBondContact O-OG 2.96Å; S65-S68 PolarHBondContact O-N 3.44Å; S68-S72 VanDerWaalsContact O-CB 3.25Å; S68-S72 WeakPolarHBondContact O-CB 3.4Å; S68-S72 PolarHBondContact O-N 2.8Å; S68-S72 VanDerWaalsContact O-N 3.08Å; S68-S72 PolarHBondContact O-OG 3.35Å; S68-H109 PolarHBondContact OG-ND1 2.92Å
69A89.9Confident89.3Confident61 Ų6161.8 Ų61.850%0.50434%0.344SS..Hα-helixtrans-64.3-44.8175.400000111.9S65 R66 T67 G73S65-A69 WeakPolarHBondContact O-CB 3.36Å; S65-A69 PolarHBondContact O-N 3.21Å; R66-A69 PolarHBondContact O-N 3.27Å; T67-A69 PolarHBondContact O-N 3.08Å; A69-G73 PolarHBondContact O-N 3.48Å
70L92.5Very high89.4Confident92 Ų9264.6 Ų64.648%0.48236%0.356SS..Hα-helixtrans-67.4-49.9179.4-70.2174.2000112.1R66 T67 S72 G73 F74R66-L70 HydrophobicContact CG-CD1 4.12Å; R66-L70 VanDerWaalsContact O-CG 3.31Å; R66-L70 WeakPolarHBondContact O-CG 3.22Å; R66-L70 PolarHBondContact O-N 3.46Å; T67-L70 PolarHBondContact O-N 2.81Å; L70-S72 PolarHBondContact O-N 3.21Å; L70-G73 PolarHBondContact O-N 3.17Å; L70-F74 HydrophobicContact CB-CD2 4.33Å; L70-F74 HydrophobicContact CB-CE2 4.12Å; L70-F74 HydrophobicContact CD2-CE2 4.2Å; L70-F74 WeakPolarHBondContact O-CB 3.12Å; L70-F74 WeakPolarHBondContact O-CD2 3.47Å; L70-F74 WeakPolarHBondContact O-CG 3.17Å; L70-F74 PolarHBondContact O-N 3.23Å
71L90.8Very high89.5Confident42 Ų4266.7 Ų66.722%0.2237%0.368CS..Hα-helixtrans-62.8-44.7-178.5-69.5174.4000111.9T67 A75 F162T67-L71 WeakPolarHBondContact O-CB 3.46Å; T67-L71 WeakPolarHBondContact O-CG 3.28Å; T67-L71 PolarHBondContact O-N 3.27Å; L71-A75 WeakPolarHBondContact O-CB 3.24Å; L71-A75 PolarHBondContact O-N 3.41Å; L71-F162 HydrophobicContact CB-CD2 4.25Å; L71-F162 HydrophobicContact CD2-CD1 4.03Å; L71-F162 HydrophobicContact CD2-CD2 4.07Å; L71-F162 HydrophobicContact CD2-CE1 3.94Å; L71-F162 HydrophobicContact CD2-CE2 3.99Å; L71-F162 HydrophobicContact CD2-CG 4.09Å; L71-F162 HydrophobicContact CD2-CZ 3.92Å
72S90.2Very high89.6Confident16 Ų1666.3 Ų66.311%0.11237%0.366CS..Hα-helixtrans-66-40.8176.7-52.90000111.8S68 L70 M76 H109S68-S72 VanDerWaalsContact O-CB 3.25Å; S68-S72 WeakPolarHBondContact O-CB 3.4Å; S68-S72 PolarHBondContact O-N 2.8Å; S68-S72 VanDerWaalsContact O-N 3.08Å; S68-S72 PolarHBondContact O-OG 3.35Å; L70-S72 PolarHBondContact O-N 3.21Å; S72-M76 WeakPolarHBondContact O-CB 3.44Å; S72-M76 PolarHBondContact O-N 3.4Å; S72-H109 WeakPolarHBondContact OG-CB 3.34Å; S72-H109 PolarHBondContact OG-CD2 3.42Å
73G91.6Very high89.2Confident32 Ų3267.8 Ų67.833%0.3338%0.375SS..Hα-helixtrans-63-47.2177.600000112.1A69 L70 M76 V77A69-G73 PolarHBondContact O-N 3.48Å; L70-G73 PolarHBondContact O-N 3.17Å; G73-M76 PolarHBondContact O-N 2.79Å; G73-V77 VanDerWaalsContact O-CG2 3.3Å; G73-V77 WeakPolarHBondContact O-CG2 3.36Å; G73-V77 PolarHBondContact O-N 3.11Å
74F91.4Very high88.6Confident131 Ų13168.6 Ų68.658%0.57537%0.371SS*.Hα-helixtrans-65.1-42.2177.7-72-54.6000112.6L70 V77 A78L70-F74 HydrophobicContact CB-CD2 4.33Å; L70-F74 HydrophobicContact CB-CE2 4.12Å; L70-F74 HydrophobicContact CD2-CE2 4.2Å; L70-F74 WeakPolarHBondContact O-CB 3.12Å; L70-F74 WeakPolarHBondContact O-CD2 3.47Å; L70-F74 WeakPolarHBondContact O-CG 3.17Å; L70-F74 PolarHBondContact O-N 3.23Å; F74-V77 PolarHBondContact O-N 3.2Å; F74-A78 WeakPolarHBondContact O-CB 3.4Å; F74-A78 PolarHBondContact O-N 2.87Å
75A90.4Very high87.9Confident3 Ų374.4 Ų74.43%0.02540%0.398CS..Hα-helixtrans-63.1-43.2175.500000111.7L71 A78 M79 L105 F162 E165L71-A75 WeakPolarHBondContact O-CB 3.24Å; L71-A75 PolarHBondContact O-N 3.41Å; A75-A78 PolarHBondContact O-N 3.46Å; A75-M79 WeakPolarHBondContact O-CB 3.31Å; A75-M79 PolarHBondContact O-N 3.05Å; A75-L105 HydrophobicContact CB-CD1 4.22Å; A75-L105 HydrophobicContact CB-CD2 3.67Å; A75-F162 HydrophobicContact CB-CD2 4.16Å; A75-F162 HydrophobicContact CB-CE2 4.23Å; A75-E165 HydrophobicContact CB-CG 4.45Å
76M90.7Very high86.8Confident97 Ų9778 Ų7848%0.47842%0.423SS..Hα-helixtrans-63.6-42.4177.7-174.9-178.2-67.500112.1S72 G73 M79 V80 V106S72-M76 WeakPolarHBondContact O-CB 3.44Å; S72-M76 PolarHBondContact O-N 3.4Å; G73-M76 PolarHBondContact O-N 2.79Å; M76-M79 PolarHBondContact O-N 2.9Å; M76-V80 PolarHBondContact O-N 2.75Å; M76-V106 HydrophobicContact CE-CG1 4.49Å; M76-V106 HydrophobicContact CE-CG2 4.23Å
77V91.3Very high85.6Confident83 Ų8373 Ų7350%0.50343%0.429SS..Hα-helixtrans-64.6-46.2174.9172.20000110.8G73 F74 M79 V80 E81G73-V77 VanDerWaalsContact O-CG2 3.3Å; G73-V77 WeakPolarHBondContact O-CG2 3.36Å; G73-V77 PolarHBondContact O-N 3.11Å; F74-V77 PolarHBondContact O-N 3.2Å; V77-M79 PolarHBondContact O-N 3.36Å; V77-V80 WeakPolarHBondContact O-CG2 3.47Å; V77-V80 PolarHBondContact O-N 3.38Å; V77-E81 HydrophobicContact CG1-CG 4.14Å; V77-E81 WeakPolarHBondContact O-CB 3.39Å; V77-E81 VanDerWaalsContact O-CG 3.28Å; V77-E81 WeakPolarHBondContact O-CG 3.34Å; V77-E81 PolarHBondContact O-N 2.91Å
78A89Confident84.5Confident41 Ų4174 Ų7434%0.33943%0.428SS..Hα-helixtrans-60.6-35.4178.200000112.5F74 A75 V82F74-A78 WeakPolarHBondContact O-CB 3.4Å; F74-A78 PolarHBondContact O-N 2.87Å; A75-A78 PolarHBondContact O-N 3.46Å; A78-V82 PolarHBondContact O-N 2.91Å
79M87.8Confident83.6Confident53 Ų5382.8 Ų82.826%0.26147%0.469SS..Hα-helixtrans-63.6-48174.5161.7175.3-95.300112.1A75 M76 V77 E81 V82 F98 T102A75-M79 WeakPolarHBondContact O-CB 3.31Å; A75-M79 PolarHBondContact O-N 3.05Å; M76-M79 PolarHBondContact O-N 2.9Å; V77-M79 PolarHBondContact O-N 3.36Å; M79-E81 VanDerWaalsContact C-N 3.3Å; M79-E81 PolarHBondContact O-N 3.07Å; M79-V82 PolarHBondContact O-N 3.17Å; M79-F98 HydrophobicContact CB-CZ 4.11Å; M79-F98 HydrophobicContact CE-CD1 4.21Å; M79-F98 HydrophobicContact CE-CE1 3.72Å; M79-F98 HydrophobicContact CE-CZ 3.95Å; M79-F98 HydrophobicContact CG-CE1 4.32Å; M79-F98 HydrophobicContact CG-CZ 4.17Å; M79-T102 HydrophobicContact CB-CG2 4.26Å; M79-T102 HydrophobicContact CE-CG2 3.64Å; M79-T102 WeakPolarHBondContact CE-OG1 3.28Å; M79-T102 HydrophobicContact SD-CG2 3.59Å; M79-T102 VanDerWaalsContact SD-CG2 3.59Å
80V89.1Confident83.1Confident107 Ų10781.2 Ų81.265%0.64845%0.451SS*.Hα-helixtrans-72.5-26.1-178.4-60.20000112.6M76 V77 V82M76-V80 PolarHBondContact O-N 2.75Å; V77-V80 WeakPolarHBondContact O-CG2 3.47Å; V77-V80 PolarHBondContact O-N 3.38Å; V80-V82 VanDerWaalsContact C-N 3.28Å
81E88.4Confident82.7Confident128 Ų12879.8 Ų79.860%0.59845%0.447SS*.THydrogen-bonded Turntrans-79.5-8.2174-69.9-67.3152.500113.1V77 M79 Q83V77-E81 HydrophobicContact CG1-CG 4.14Å; V77-E81 WeakPolarHBondContact O-CB 3.39Å; V77-E81 VanDerWaalsContact O-CG 3.28Å; V77-E81 WeakPolarHBondContact O-CG 3.34Å; V77-E81 PolarHBondContact O-N 2.91Å; M79-E81 VanDerWaalsContact C-N 3.3Å; M79-E81 PolarHBondContact O-N 3.07Å; E81-Q83 PolarHBondContact O-N 3.35Å; E81-Q83 VanDerWaalsContact O-N 3.11Å
82V84.9Confident82.4Confident11 Ų1182.7 Ų82.77%0.06747%0.468CS..  trans-76.5101174.1116.50000108.6A78 M79 V80 L84 F98 V169 V172 K173A78-V82 PolarHBondContact O-N 2.91Å; M79-V82 PolarHBondContact O-N 3.17Å; V80-V82 VanDerWaalsContact C-N 3.28Å; V82-L84 HydrophobicContact CG1-CD1 3.78Å; V82-F98 HydrophobicContact CG1-CE1 3.92Å; V82-F98 HydrophobicContact CG1-CZ 4.02Å; V82-V169 HydrophobicContact CG2-CG1 4.25Å; V82-V172 HydrophobicContact CG1-CG1 4.26Å; V82-V172 HydrophobicContact CG2-CG1 4.22Å; V82-K173 HydrophobicContact CG2-CG 4.49Å
83Q78.9Confident82.3Confident163 Ų16384.4 Ų84.476%0.76249%0.488SS*.PPolyproline II helixtrans-82.4117.9171.6-60.3-154.731.300109.3E81E81-Q83 PolarHBondContact O-N 3.35Å; E81-Q83 VanDerWaalsContact O-N 3.11Å
84L76.3Confident82.1Confident72 Ų7284.1 Ų84.138%0.37748%0.479SS..PPolyproline II helixtrans-84.2123.4169-71.389.7000108V82 S86 Y90 L95V82-L84 HydrophobicContact CG1-CD1 3.78Å; L84-S86 PolarHBondContact O-N 2.82Å; L84-Y90 HydrophobicContact CB-CE2 4.13Å; L84-Y90 HydrophobicContact CD2-CD2 4.3Å; L84-Y90 HydrophobicContact CD2-CE2 4.42Å; L84-L95 HydrophobicContact CD2-CD1 4.18Å; L84-L95 HydrophobicContact CD2-CD2 3.71Å; L84-L95 HydrophobicContact CD2-CG 3.91Å
85E73.6Confident82Confident126 Ų12680.9 Ų80.959%0.58947%0.467SS*.PPolyproline II helixtrans-69.8119175.5-76.7176.7176.900110G87 H88 Y90E85-G87 PolarHBondContact O-N 3.23Å; E85-H88 PolarHBondContact O-N 3.34Å; E85-Y90 PolarHBondContact N-OH 2.97Å
86S64.9Low82Confident133 Ų13385.2 Ų85.293%0.9349%0.493SS*.THydrogen-bonded Turntrans-65.2-10.8-178.6-380000114.3L84L84-S86 PolarHBondContact O-N 2.82Å
87G63Low82.1Confident77 Ų7782.7 Ų82.779%0.79449%0.488SS*.THydrogen-bonded Turntrans-91-2.6-177.400000114.9E85E85-G87 PolarHBondContact O-N 3.23Å
88H68.7Low82.1Confident83 Ų8379.5 Ų79.538%0.38447%0.467SS..SBendtrans-126.8142.1-175.5-133.774.9000112.6E85 Y90 A179E85-H88 PolarHBondContact O-N 3.34Å; H88-Y90 PolarHBondContact O-N 3.44Å; H88-A179 VanDerWaalsContact CE1-CB 3.46Å; H88-A179 WeakPolarHBondContact CE1-CB 3.44Å; H88-A179 WeakPolarHBondContact NE2-CB 3.43Å
89E71.3Confident82.2Confident188 Ų18880.3 Ų80.388%0.87947%0.47SS*.  trans-87.398.4-179.7-148.7-178.8143.800109.2
90Y80.3Confident82.5Confident28 Ų2879.9 Ų79.911%0.1148%0.476CS..  trans-76.5140.8173.5-66.8-91.9000110.3L84 E85 H88 L95 V172 P176L84-Y90 HydrophobicContact CB-CE2 4.13Å; L84-Y90 HydrophobicContact CD2-CD2 4.3Å; L84-Y90 HydrophobicContact CD2-CE2 4.42Å; E85-Y90 PolarHBondContact N-OH 2.97Å; H88-Y90 PolarHBondContact O-N 3.44Å; Y90-L95 HydrophobicContact CG-CD1 4.03Å; Y90-V172 WeakPolarHBondContact CE1-O 3.37Å; Y90-P176 HydrophobicContact CE1-CG 3.51Å; Y90-P176 VanDerWaalsContact OH-CG 3.31Å; Y90-P176 WeakPolarHBondContact OH-CG 3.42Å
91P84.3Confident82.7Confident62 Ų6275.5 Ų75.540%0.40345%0.449SS..  trans-61.5129.2178.423.5-31.5000110.2G93 L94P91-G93 PolarHBondContact O-N 3.45Å; P91-G93 VanDerWaalsContact O-N 3.16Å; P91-L94 HydrophobicContact CG-CB 3.91Å; P91-L94 HydrophobicContact CG-CD2 4.4Å; P91-L94 WeakPolarHBondContact O-CB 3.41Å; P91-L94 PolarHBondContact O-N 3.14Å
92P84.1Confident83Confident103 Ų10369.6 Ų69.667%0.66942%0.422SS*.Hα-helixtrans-60.3-33.7-17321.6-32.8000112.2L94 L95 V96P92-L94 VanDerWaalsContact C-N 3.28Å; P92-L94 PolarHBondContact O-N 3.19Å; P92-L95 PolarHBondContact O-N 2.6Å; P92-V96 VanDerWaalsContact O-CG2 3.28Å; P92-V96 WeakPolarHBondContact O-CG2 3.48Å; P92-V96 PolarHBondContact O-N 3.08Å
93G87.9Confident83.4Confident52 Ų5273.3 Ų73.354%0.53645%0.445SS..Hα-helixtrans-60.4-33.7176.400000113.7P91 A97P91-G93 PolarHBondContact O-N 3.45Å; P91-G93 VanDerWaalsContact O-N 3.16Å; G93-A97 VanDerWaalsContact O-CB 3.22Å; G93-A97 WeakPolarHBondContact O-CB 3.17Å; G93-A97 PolarHBondContact O-N 3.34Å
94L87.7Confident84.1Confident25 Ų2568.8 Ų68.813%0.13143%0.428CS..Hα-helixtrans-71.4-42.8179-177.466000111.3P91 P92 A97 F98 L168 W171 V172 V175P91-L94 HydrophobicContact CG-CB 3.91Å; P91-L94 HydrophobicContact CG-CD2 4.4Å; P91-L94 WeakPolarHBondContact O-CB 3.41Å; P91-L94 PolarHBondContact O-N 3.14Å; P92-L94 VanDerWaalsContact C-N 3.28Å; P92-L94 PolarHBondContact O-N 3.19Å; L94-A97 PolarHBondContact O-N 3.25Å; L94-F98 VanDerWaalsContact O-CB 3.24Å; L94-F98 WeakPolarHBondContact O-CB 3.32Å; L94-F98 PolarHBondContact O-N 2.79Å; L94-L168 HydrophobicContact CD1-CD2 3.97Å; L94-W171 HydrophobicContact CD1-CB 3.79Å; L94-W171 HydrophobicContact CD2-CB 4.21Å; L94-V172 HydrophobicContact CD2-CG2 4.07Å; L94-V172 HydrophobicContact CG-CG2 4.14Å; L94-V175 HydrophobicContact CD2-CG2 4.18Å
95L88.6Confident84.9Confident63 Ų6365.4 Ų65.433%0.3341%0.41SS..Hα-helixtrans-66.5-41177.9-86.668.9000111.6L84 Y90 P92 F98 S99L84-L95 HydrophobicContact CD2-CD1 4.18Å; L84-L95 HydrophobicContact CD2-CD2 3.71Å; L84-L95 HydrophobicContact CD2-CG 3.91Å; Y90-L95 HydrophobicContact CG-CD1 4.03Å; P92-L95 PolarHBondContact O-N 2.6Å; L95-F98 PolarHBondContact O-N 3.07Å; L95-S99 WeakPolarHBondContact O-CB 3.23Å; L95-S99 PolarHBondContact O-N 3.2Å; L95-S99 PolarHBondContact O-OG 2.81Å
96V91.4Very high85.9Confident94 Ų9460.9 Ų60.957%0.5739%0.392SS*.Hα-helixtrans-65-46175.6174.10000110.5P92 F98 S99 A100P92-V96 VanDerWaalsContact O-CG2 3.28Å; P92-V96 WeakPolarHBondContact O-CG2 3.48Å; P92-V96 PolarHBondContact O-N 3.08Å; V96-F98 VanDerWaalsContact C-N 3.35Å; V96-F98 PolarHBondContact O-N 3.39Å; V96-S99 PolarHBondContact O-OG 2.93Å; V96-S99 VanDerWaalsContact O-OG 3.07Å; V96-A100 WeakPolarHBondContact O-CB 3.38Å; V96-A100 PolarHBondContact O-N 3.27Å
97A91.9Very high87.3Confident44 Ų4457.2 Ų57.236%0.36437%0.369SS..Hα-helixtrans-62.6-41.7177.200000112.2G93 L94 C101 L168G93-A97 VanDerWaalsContact O-CB 3.22Å; G93-A97 WeakPolarHBondContact O-CB 3.17Å; G93-A97 PolarHBondContact O-N 3.34Å; L94-A97 PolarHBondContact O-N 3.25Å; A97-C101 WeakPolarHBondContact O-CB 3.43Å; A97-C101 PolarHBondContact O-N 2.96Å; A97-L168 HydrophobicContact CB-CD2 4.36Å
98F91.6Very high88.7Confident16 Ų1654.4 Ų54.47%0.0734%0.336CS..Hα-helixtrans-60.1-57175.8177.7-115.8000111.7M79 V82 L94 L95 V96 A100 C101 T102 E165 L168 V169 V172M79-F98 HydrophobicContact CB-CZ 4.11Å; M79-F98 HydrophobicContact CE-CD1 4.21Å; M79-F98 HydrophobicContact CE-CE1 3.72Å; M79-F98 HydrophobicContact CE-CZ 3.95Å; M79-F98 HydrophobicContact CG-CE1 4.32Å; M79-F98 HydrophobicContact CG-CZ 4.17Å; V82-F98 HydrophobicContact CG1-CE1 3.92Å; V82-F98 HydrophobicContact CG1-CZ 4.02Å; L94-F98 VanDerWaalsContact O-CB 3.24Å; L94-F98 WeakPolarHBondContact O-CB 3.32Å; L94-F98 PolarHBondContact O-N 2.79Å; L95-F98 PolarHBondContact O-N 3.07Å; V96-F98 VanDerWaalsContact C-N 3.35Å; V96-F98 PolarHBondContact O-N 3.39Å; F98-A100 VanDerWaalsContact C-N 3.35Å; F98-A100 PolarHBondContact O-N 3.47Å; F98-C101 PolarHBondContact O-N 3.19Å; F98-C101 VanDerWaalsContact O-N 3.14Å; F98-T102 PolarHBondContact O-N 3.47Å; F98-T102 VanDerWaalsContact O-N 3.08Å; F98-T102 PolarHBondContact O-OG1 3.44Å; F98-E165 VanDerWaalsContact CE2-OE1 3.31Å; F98-E165 WeakPolarHBondContact CE2-OE1 3.4Å; F98-L168 HydrophobicContact CD2-CB 4.02Å; F98-V169 HydrophobicContact CE2-CG2 3.83Å; F98-V169 HydrophobicContact CZ-CG2 4.48Å; F98-V172 HydrophobicContact CG-CG2 4.42Å
99S91.5Very high89.8Confident58 Ų5850.6 Ų50.641%0.40632%0.319SS..Hα-helixtrans-60.9-39.5178.856.30000113.6L95 V96 T103L95-S99 WeakPolarHBondContact O-CB 3.23Å; L95-S99 PolarHBondContact O-N 3.2Å; L95-S99 PolarHBondContact O-OG 2.81Å; V96-S99 PolarHBondContact O-OG 2.93Å; V96-S99 VanDerWaalsContact O-OG 3.07Å; S99-T103 VanDerWaalsContact O-CG2 3.28Å; S99-T103 WeakPolarHBondContact O-CG2 3.44Å; S99-T103 PolarHBondContact O-N 2.87Å; S99-T103 PolarHBondContact O-OG1 2.95Å
100A94.7Very high90.7Very high45 Ų4546.6 Ų46.637%0.37230%0.303SS..Hα-helixtrans-66.2-40.7174.500000112V96 F98 T103 V104V96-A100 WeakPolarHBondContact O-CB 3.38Å; V96-A100 PolarHBondContact O-N 3.27Å; F98-A100 VanDerWaalsContact C-N 3.35Å; F98-A100 PolarHBondContact O-N 3.47Å; A100-T103 WeakPolarHBondContact CA-OG1 2.97Å; A100-T103 PolarHBondContact O-OG1 2.89Å; A100-V104 WeakPolarHBondContact O-CB 3.32Å; A100-V104 VanDerWaalsContact O-CG2 3.23Å; A100-V104 WeakPolarHBondContact O-CG2 3.31Å; A100-V104 PolarHBondContact O-N 2.9Å
101C93.9Very high91.2Very high14 Ų1449.2 Ų49.210%0.09532%0.315CS..Hα-helixtrans-62.1-49.4179.4-177.90000111.4A97 F98 T103 V104 L105 E165 L168A97-C101 WeakPolarHBondContact O-CB 3.43Å; A97-C101 PolarHBondContact O-N 2.96Å; F98-C101 PolarHBondContact O-N 3.19Å; F98-C101 VanDerWaalsContact O-N 3.14Å; C101-T103 PolarHBondContact O-N 3.2Å; C101-V104 PolarHBondContact O-N 3.41Å; C101-L105 VanDerWaalsContact O-CB 3.29Å; C101-L105 WeakPolarHBondContact O-CB 3.47Å; C101-L105 PolarHBondContact O-N 3.3Å; C101-E165 PolarHBondContact SG-OE2 2.92Å; C101-L168 HydrophobicContact CB-CD1 3.48Å; C101-L168 VanDerWaalsContact CB-CD1 3.48Å
102T92.8Very high91.4Very high4 Ų446.2 Ų46.23%0.02530%0.296CS..Hα-helixtrans-66.3-38.8-178.4-34.10000112.4M79 F98 L105 V106 E165M79-T102 HydrophobicContact CB-CG2 4.26Å; M79-T102 HydrophobicContact CE-CG2 3.64Å; M79-T102 WeakPolarHBondContact CE-OG1 3.28Å; M79-T102 HydrophobicContact SD-CG2 3.59Å; M79-T102 VanDerWaalsContact SD-CG2 3.59Å; F98-T102 PolarHBondContact O-N 3.47Å; F98-T102 VanDerWaalsContact O-N 3.08Å; F98-T102 PolarHBondContact O-OG1 3.44Å; T102-L105 WeakPolarHBondContact O-CB 2.92Å; T102-L105 PolarHBondContact O-N 2.83Å; T102-V106 WeakPolarHBondContact O-CG2 3.46Å; T102-V106 PolarHBondContact O-N 3.34Å; T102-E165 WeakPolarHBondContact CB-OE1 3.29Å; T102-E165 WeakPolarHBondContact CG2-OE1 3.35Å; T102-E165 PolarHBondContact N-OE2 2.99Å; T102-E165 VanDerWaalsContact OG1-CD 3.24Å; T102-E165 PolarHBondContact OG1-OE1 2.91Å; T102-E165 PolarHBondContact OG1-OE2 2.99Å
103T93.8Very high91.6Very high89 Ų8943.7 Ų43.755%0.54628%0.276SS..Hα-helixtrans-64.9-43.917750.20000111.5S99 A100 C101 A107S99-T103 VanDerWaalsContact O-CG2 3.28Å; S99-T103 WeakPolarHBondContact O-CG2 3.44Å; S99-T103 PolarHBondContact O-N 2.87Å; S99-T103 PolarHBondContact O-OG1 2.95Å; A100-T103 WeakPolarHBondContact CA-OG1 2.97Å; A100-T103 PolarHBondContact O-OG1 2.89Å; C101-T103 PolarHBondContact O-N 3.2Å; T103-A107 VanDerWaalsContact O-CB 3.31Å; T103-A107 WeakPolarHBondContact O-CB 3.42Å; T103-A107 PolarHBondContact O-N 3.06Å
104V94.8Very high91.6Very high69 Ų6946.3 Ų46.342%0.41828%0.276SS..Hα-helixtrans-66.6-39.5175.3179.20000111.1A100 C101 V106 A107 V108 L161A100-V104 WeakPolarHBondContact O-CB 3.32Å; A100-V104 VanDerWaalsContact O-CG2 3.23Å; A100-V104 WeakPolarHBondContact O-CG2 3.31Å; A100-V104 PolarHBondContact O-N 2.9Å; C101-V104 PolarHBondContact O-N 3.41Å; V104-V106 PolarHBondContact O-N 3.44Å; V104-A107 PolarHBondContact O-N 3.18Å; V104-V108 HydrophobicContact CG1-CG2 4.06Å; V104-V108 WeakPolarHBondContact O-CB 3.45Å; V104-V108 VanDerWaalsContact O-CG2 3.26Å; V104-V108 WeakPolarHBondContact O-CG2 3.33Å; V104-V108 PolarHBondContact O-N 2.89Å; V104-L161 HydrophobicContact CB-CD1 4.31Å; V104-L161 HydrophobicContact CG1-CD1 3.6Å
105L93.2Very high91.5Very high0 Ų045.8 Ų45.80%027%0.273CS..Hα-helixtrans-56.6-52176178145.2000111.2A75 C101 T102 A107 V108 H109 L161 F162 E165A75-L105 HydrophobicContact CB-CD1 4.22Å; A75-L105 HydrophobicContact CB-CD2 3.67Å; C101-L105 VanDerWaalsContact O-CB 3.29Å; C101-L105 WeakPolarHBondContact O-CB 3.47Å; C101-L105 PolarHBondContact O-N 3.3Å; T102-L105 WeakPolarHBondContact O-CB 2.92Å; T102-L105 PolarHBondContact O-N 2.83Å; L105-A107 PolarHBondContact O-N 2.86Å; L105-V108 PolarHBondContact O-N 3.44Å; L105-H109 PolarHBondContact O-CD2 3.15Å; L105-H109 PolarHBondContact O-N 2.9Å; L105-H109 VanDerWaalsContact O-N 3.12Å; L105-L161 HydrophobicContact CB-CB 4.08Å; L105-L161 HydrophobicContact CD1-CB 4.1Å; L105-L161 HydrophobicContact CG-CB 4.35Å; L105-F162 VanDerWaalsContact CD1-CA 3.4Å; L105-F162 HydrophobicContact CD1-CB 3.92Å; L105-F162 HydrophobicContact CD1-CD2 4.32Å; L105-E165 HydrophobicContact CD1-CB 4.21Å
106V93.4Very high91.4Very high32 Ų3243.2 Ų43.219%0.19426%0.261CS..Hα-helixtrans-62.7-45.5178.4174.80000110.1M76 T102 V104 V108 H109 L110M76-V106 HydrophobicContact CE-CG1 4.49Å; M76-V106 HydrophobicContact CE-CG2 4.23Å; T102-V106 WeakPolarHBondContact O-CG2 3.46Å; T102-V106 PolarHBondContact O-N 3.34Å; V104-V106 PolarHBondContact O-N 3.44Å; V106-V108 PolarHBondContact O-N 3.2Å; V106-H109 PolarHBondContact O-N 2.94Å; V106-L110 HydrophobicContact CG1-CD1 4.18Å; V106-L110 HydrophobicContact CG1-CG 4.35Å; V106-L110 WeakPolarHBondContact O-CG 3.28Å; V106-L110 PolarHBondContact O-N 2.84Å
107A93.8Very high91Very high55 Ų5543.7 Ų43.746%0.45526%0.264SS..Hα-helixtrans-59.6-43.5179.400000112.8T103 V104 L105 L110 F111T103-A107 VanDerWaalsContact O-CB 3.31Å; T103-A107 WeakPolarHBondContact O-CB 3.42Å; T103-A107 PolarHBondContact O-N 3.06Å; V104-A107 PolarHBondContact O-N 3.18Å; L105-A107 PolarHBondContact O-N 2.86Å; A107-L110 PolarHBondContact O-N 3.04Å; A107-F111 WeakPolarHBondContact O-CB 3.41Å; A107-F111 PolarHBondContact O-N 3.36Å
108V92.9Very high90.3Very high18 Ų1845.7 Ų45.711%0.10927%0.274CS..Hα-helixtrans-66-38.8179.2168.50000111.5V104 L105 V106 F111 A112 S154 L157 L161V104-V108 HydrophobicContact CG1-CG2 4.06Å; V104-V108 WeakPolarHBondContact O-CB 3.45Å; V104-V108 VanDerWaalsContact O-CG2 3.26Å; V104-V108 WeakPolarHBondContact O-CG2 3.33Å; V104-V108 PolarHBondContact O-N 2.89Å; L105-V108 PolarHBondContact O-N 3.44Å; V106-V108 PolarHBondContact O-N 3.2Å; V108-F111 WeakPolarHBondContact O-CB 3.01Å; V108-F111 PolarHBondContact O-N 3.38Å; V108-A112 PolarHBondContact O-N 2.86Å; V108-S154 WeakPolarHBondContact CG1-O 3.47Å; V108-L157 HydrophobicContact CG1-CB 4.19Å; V108-L157 HydrophobicContact CG1-CD2 4.36Å; V108-L157 HydrophobicContact CG1-CG 4.37Å; V108-L157 HydrophobicContact CG2-CD2 3.83Å; V108-L157 HydrophobicContact CG2-CG 4.37Å; V108-L161 HydrophobicContact CB-CD1 4.48Å; V108-L161 HydrophobicContact CG2-CD1 4.1Å
109H92Very high89.6Confident4 Ų445.4 Ų45.42%0.01927%0.274CS..Hα-helixtrans-68.3-38.4174.8-80.1-61.4000112.7S68 S72 L105 V106 F111 A112 L113S68-H109 PolarHBondContact OG-ND1 2.92Å; S72-H109 WeakPolarHBondContact OG-CB 3.34Å; S72-H109 PolarHBondContact OG-CD2 3.42Å; L105-H109 PolarHBondContact O-CD2 3.15Å; L105-H109 PolarHBondContact O-N 2.9Å; L105-H109 VanDerWaalsContact O-N 3.12Å; V106-H109 PolarHBondContact O-N 2.94Å; H109-F111 VanDerWaalsContact C-N 3.32Å; H109-A112 PolarHBondContact O-N 3.4Å; H109-L113 WeakPolarHBondContact O-CG 3.33Å; H109-L113 PolarHBondContact O-N 3.29Å; H109-L113 VanDerWaalsContact O-N 3.1Å
110L90.8Very high88.6Confident104 Ų10445.6 Ų45.655%0.54527%0.27SS..Hα-helixtrans-64.1-37.9171.7-67-178000111.7V106 A107 L113 M114V106-L110 HydrophobicContact CG1-CD1 4.18Å; V106-L110 HydrophobicContact CG1-CG 4.35Å; V106-L110 WeakPolarHBondContact O-CG 3.28Å; V106-L110 PolarHBondContact O-N 2.84Å; A107-L110 PolarHBondContact O-N 3.04Å; L110-L113 HydrophobicContact CD2-CD1 4.27Å; L110-L113 WeakPolarHBondContact O-CB 3.18Å; L110-L113 PolarHBondContact O-N 3.5Å; L110-M114 WeakPolarHBondContact O-CB 3.5Å; L110-M114 PolarHBondContact O-N 3.27Å
111F90.9Very high87.4Confident82 Ų8247.4 Ų47.436%0.3628%0.278SS..Hα-helixtrans-63.1-42.8174.1-179.9-87.5000111.7A107 V108 H109 L113 M114 V115 S154A107-F111 WeakPolarHBondContact O-CB 3.41Å; A107-F111 PolarHBondContact O-N 3.36Å; V108-F111 WeakPolarHBondContact O-CB 3.01Å; V108-F111 PolarHBondContact O-N 3.38Å; H109-F111 VanDerWaalsContact C-N 3.32Å; F111-L113 VanDerWaalsContact C-N 3.28Å; F111-L113 PolarHBondContact O-N 2.96Å; F111-M114 HydrophobicContact CD2-CE 3.65Å; F111-M114 HydrophobicContact CE2-CE 3.86Å; F111-M114 PolarHBondContact O-N 2.95Å; F111-V115 HydrophobicContact CD1-CG2 3.91Å; F111-V115 HydrophobicContact CE1-CG2 3.51Å; F111-V115 HydrophobicContact CE2-CG2 4.24Å; F111-V115 HydrophobicContact CG-CG2 4.48Å; F111-V115 HydrophobicContact CZ-CG2 3.69Å; F111-V115 WeakPolarHBondContact O-CG2 3.46Å; F111-V115 PolarHBondContact O-N 2.87Å; F111-S154 WeakPolarHBondContact CD1-OG 3.25Å; F111-S154 WeakPolarHBondContact CE1-OG 3.46Å
112A88.4Confident86.1Confident0 Ų049 Ų490%028%0.284CS..Hα-helixtrans-60.4-37.3175.400000112.4V108 H109 S116V108-A112 PolarHBondContact O-N 2.86Å; H109-A112 PolarHBondContact O-N 3.4Å; A112-S116 VanDerWaalsContact O-CB 3.31Å; A112-S116 WeakPolarHBondContact O-CB 3.44Å; A112-S116 PolarHBondContact O-N 3.41Å; A112-S116 PolarHBondContact O-OG 3.36Å
113L87.3Confident84.8Confident49 Ų4949.4 Ų49.426%0.25729%0.286SS..Hα-helixtrans-68-44.1173.4-67.7175.4000112.2H109 L110 F111 V115 S116 T117H109-L113 WeakPolarHBondContact O-CG 3.33Å; H109-L113 PolarHBondContact O-N 3.29Å; H109-L113 VanDerWaalsContact O-N 3.1Å; L110-L113 HydrophobicContact CD2-CD1 4.27Å; L110-L113 WeakPolarHBondContact O-CB 3.18Å; L110-L113 PolarHBondContact O-N 3.5Å; F111-L113 VanDerWaalsContact C-N 3.28Å; F111-L113 PolarHBondContact O-N 2.96Å; L113-V115 PolarHBondContact O-N 3.27Å; L113-S116 WeakPolarHBondContact O-CB 3.31Å; L113-S116 PolarHBondContact O-N 3.14Å; L113-S116 VanDerWaalsContact O-N 3.14Å; L113-T117 PolarHBondContact O-N 2.96Å; L113-T117 PolarHBondContact O-OG1 2.98Å; L113-T117 VanDerWaalsContact O-OG1 3.08Å
114M88.6Confident83.4Confident108 Ų10849.6 Ų49.653%0.53228%0.28SS..Hα-helixtrans-59.7-48.2177.2-174.5-177.871.300110.9L110 F111 S116 T117 C118L110-M114 WeakPolarHBondContact O-CB 3.5Å; L110-M114 PolarHBondContact O-N 3.27Å; F111-M114 HydrophobicContact CD2-CE 3.65Å; F111-M114 HydrophobicContact CE2-CE 3.86Å; F111-M114 PolarHBondContact O-N 2.95Å; M114-S116 VanDerWaalsContact C-N 3.26Å; M114-S116 PolarHBondContact O-N 3.4Å; M114-T117 PolarHBondContact O-N 3.38Å; M114-C118 PolarHBondContact O-N 3.1Å; M114-C118 PolarHBondContact O-SG 3.44Å
115V86.4Confident82Confident13 Ų1349 Ų498%0.07928%0.282CS..Hα-helixtrans-61.3-38.3175.8177.90000110.9F111 L113 C118 L119 V147 W151F111-V115 HydrophobicContact CD1-CG2 3.91Å; F111-V115 HydrophobicContact CE1-CG2 3.51Å; F111-V115 HydrophobicContact CE2-CG2 4.24Å; F111-V115 HydrophobicContact CG-CG2 4.48Å; F111-V115 HydrophobicContact CZ-CG2 3.69Å; F111-V115 WeakPolarHBondContact O-CG2 3.46Å; F111-V115 PolarHBondContact O-N 2.87Å; L113-V115 PolarHBondContact O-N 3.27Å; V115-C118 PolarHBondContact O-N 3.12Å; V115-L119 HydrophobicContact CG1-CD1 3.99Å; V115-L119 WeakPolarHBondContact O-CB 3.21Å; V115-L119 PolarHBondContact O-N 3.2Å; V115-V147 HydrophobicContact CG1-CG1 3.58Å; V115-W151 HydrophobicContact CG1-CB 3.71Å; V115-W151 HydrophobicContact CG1-CG 4.49Å
116S85.3Confident80.4Confident10 Ų1051.8 Ų51.87%0.0730%0.299CS..Hα-helixtrans-63.2-42.3176.3-65.60000112.8L61 A112 L113 M114 L119 W151L61-S116 WeakPolarHBondContact CD2-O 3.49Å; L61-S116 WeakPolarHBondContact CD2-OG 3.34Å; A112-S116 VanDerWaalsContact O-CB 3.31Å; A112-S116 WeakPolarHBondContact O-CB 3.44Å; A112-S116 PolarHBondContact O-N 3.41Å; A112-S116 PolarHBondContact O-OG 3.36Å; L113-S116 WeakPolarHBondContact O-CB 3.31Å; L113-S116 PolarHBondContact O-N 3.14Å; L113-S116 VanDerWaalsContact O-N 3.14Å; M114-S116 VanDerWaalsContact C-N 3.26Å; M114-S116 PolarHBondContact O-N 3.4Å; S116-L119 PolarHBondContact O-N 3.47Å; S116-W151 PolarHBondContact OG-NE1 3.47Å
117T84.3Confident78.7Confident103 Ų10353.3 Ų53.363%0.63231%0.312SS*.Hα-helixtrans-65.1-40.3176.1-59.40000111.5L113 M114 L119 P121L113-T117 PolarHBondContact O-N 2.96Å; L113-T117 PolarHBondContact O-OG1 2.98Å; L113-T117 VanDerWaalsContact O-OG1 3.08Å; M114-T117 PolarHBondContact O-N 3.38Å; T117-L119 VanDerWaalsContact C-N 3.35Å; T117-L119 PolarHBondContact O-N 2.76Å; T117-P121 WeakPolarHBondContact O-CD 3.3Å
118C76.5Confident77.1Confident86 Ų8657.3 Ų57.358%0.58133%0.325SS*.Hα-helixtrans-74.6-21.1179.4-62.60000113.8M114 V115M114-C118 PolarHBondContact O-N 3.1Å; M114-C118 PolarHBondContact O-SG 3.44Å; V115-C118 PolarHBondContact O-N 3.12Å
119L77.6Confident75.4Confident10 Ų1061.2 Ų61.25%0.05235%0.345CS..Hα-helixtrans-76.8-31.7179-122.2133.3000112.8L61 V115 S116 T117 H122 I123 H144 V147L61-L119 HydrophobicContact CD1-CB 4.49Å; L61-L119 HydrophobicContact CD2-CB 4.21Å; V115-L119 HydrophobicContact CG1-CD1 3.99Å; V115-L119 WeakPolarHBondContact O-CB 3.21Å; V115-L119 PolarHBondContact O-N 3.2Å; S116-L119 PolarHBondContact O-N 3.47Å; T117-L119 VanDerWaalsContact C-N 3.35Å; T117-L119 PolarHBondContact O-N 2.76Å; L119-H122 PolarHBondContact O-N 3.08Å; L119-I123 HydrophobicContact CB-CD1 4.23Å; L119-I123 HydrophobicContact CD2-CD1 3.31Å; L119-I123 HydrophobicContact CD2-CG1 3.9Å; L119-I123 HydrophobicContact CG-CD1 4.35Å; L119-I123 WeakPolarHBondContact O-CD1 3.04Å; L119-I123 VanDerWaalsContact O-CG1 3.27Å; L119-I123 WeakPolarHBondContact O-CG1 3.26Å; L119-I123 PolarHBondContact O-N 2.96Å; L119-H144 VanDerWaalsContact CD2-NE2 3.3Å; L119-H144 WeakPolarHBondContact CD2-NE2 3.41Å; L119-V147 HydrophobicContact CD1-CB 4.41Å; L119-V147 HydrophobicContact CD1-CG1 3.44Å; L119-V147 VanDerWaalsContact CD1-CG1 3.44Å; L119-V147 HydrophobicContact CG-CG1 4.02Å
120L70.5Confident73.7Confident63 Ų6368.7 Ų68.733%0.3338%0.379SS..Hα-helixtrans-61.4-46.3-171.6-17066.8000113.9L61 H122 I123 E124L61-L120 HydrophobicContact CD1-CB 4.49Å; L61-L120 HydrophobicContact CD1-CD1 4.14Å; L120-H122 VanDerWaalsContact C-N 3.32Å; L120-H122 PolarHBondContact O-N 3.49Å; L120-I123 PolarHBondContact O-N 2.73Å; L120-E124 WeakPolarHBondContact O-CG 3.42Å; L120-E124 PolarHBondContact O-N 3.37Å
121P68.4Low72Confident83 Ų8367.4 Ų67.454%0.53937%0.373SS..Hα-helixtrans-65.1-36.7-179.7-19.432.3000112.7T117 E124 A125T117-P121 WeakPolarHBondContact O-CD 3.3Å; P121-E124 PolarHBondContact O-N 2.89Å; P121-A125 WeakPolarHBondContact O-CB 3.39Å; P121-A125 PolarHBondContact O-N 3.34Å
122H66.1Low70.3Confident47 Ų4765.9 Ų65.922%0.21837%0.368CS..Hα-helixtrans-69.7-35.5178.3177.3-55.2000111.5L119 L120 V126 H140 H144L119-H122 PolarHBondContact O-N 3.08Å; L120-H122 VanDerWaalsContact C-N 3.32Å; L120-H122 PolarHBondContact O-N 3.49Å; H122-V126 VanDerWaalsContact O-CG2 3.31Å; H122-V126 WeakPolarHBondContact O-CG2 3.31Å; H122-V126 PolarHBondContact O-N 2.88Å; H122-H140 AromaticContact CD2-CE1 3.44Å; H122-H140 PolarHBondContact CD2-CE1 2.77Å; H122-H140 VanDerWaalsContact CD2-CE1 3.44Å; H122-H140 AromaticContact CD2-NE2 3.19Å; H122-H140 PolarHBondContact CD2-NE2 2.92Å; H122-H140 AromaticContact CE1-CE1 2.9Å; H122-H140 PolarHBondContact CE1-CE1 3.36Å; H122-H140 AromaticContact CE1-ND1 3.42Å; H122-H140 PolarHBondContact CE1-ND1 2.84Å; H122-H140 AromaticContact CE1-NE2 3.52Å; H122-H140 AromaticContact CG-CE1 3.86Å; H122-H140 AromaticContact CG-NE2 3.9Å; H122-H140 AromaticContact ND1-CE1 3.54Å; H122-H140 AromaticContact NE2-CD2 3.59Å; H122-H140 AromaticContact NE2-CE1 2.86Å; H122-H140 PolarHBondContact NE2-CE1 3.18Å; H122-H140 AromaticContact NE2-CG 3.82Å; H122-H140 AromaticContact NE2-ND1 3.37Å; H122-H140 PolarHBondContact NE2-ND1 3.15Å; H122-H140 AromaticContact NE2-NE2 2.98Å; H122-H140 PolarHBondContact NE2-NE2 3.3Å; H122-H144 AromaticContact CE1-CD2 3.16Å; H122-H144 PolarHBondContact CE1-CD2 2.89Å; H122-H144 AromaticContact CE1-CG 3.75Å; H122-H144 AromaticContact ND1-CD2 3.56Å; H122-H144 AromaticContact NE2-CD2 3.64Å
123I65.3Low68.5Low13 Ų1371.4 Ų71.47%0.06740%0.398CS..Hα-helixtrans-69.3-41.9175.4-72.6166.4000111.1L54 L61 L119 L120 V126 S127L54-I123 HydrophobicContact CD1-CB 4.47Å; L54-I123 HydrophobicContact CD1-CG2 3.01Å; L54-I123 HydrophobicContact CG-CG2 4.41Å; L61-I123 HydrophobicContact CD1-CD1 4.01Å; L119-I123 HydrophobicContact CB-CD1 4.23Å; L119-I123 HydrophobicContact CD2-CD1 3.31Å; L119-I123 HydrophobicContact CD2-CG1 3.9Å; L119-I123 HydrophobicContact CG-CD1 4.35Å; L119-I123 WeakPolarHBondContact O-CD1 3.04Å; L119-I123 VanDerWaalsContact O-CG1 3.27Å; L119-I123 WeakPolarHBondContact O-CG1 3.26Å; L119-I123 PolarHBondContact O-N 2.96Å; L120-I123 PolarHBondContact O-N 2.73Å; I123-V126 PolarHBondContact O-N 3.05Å; I123-S127 PolarHBondContact O-N 2.9Å
124E65.2Low66.7Low93 Ų9372.7 Ų72.744%0.43541%0.41SS..Hα-helixtrans-69.3-39.4-179.6-72.3178.6176.500111.9R58 L120 P121 V126 S127 N128R58-E124 IonicContact NH1-OE1 3.91Å; L120-E124 WeakPolarHBondContact O-CG 3.42Å; L120-E124 PolarHBondContact O-N 3.37Å; P121-E124 PolarHBondContact O-N 2.89Å; E124-V126 VanDerWaalsContact C-N 3.3Å; E124-V126 PolarHBondContact O-N 3.11Å; E124-S127 PolarHBondContact O-N 3.18Å; E124-S127 PolarHBondContact O-OG 3.06Å; E124-N128 PolarHBondContact O-N 3.4Å
125A64.9Low64.9Low55 Ų5570.3 Ų70.346%0.45540%0.402SS..Hα-helixtrans-59.7-37.1173.900000113.1P121 S127 N128P121-A125 WeakPolarHBondContact O-CB 3.39Å; P121-A125 PolarHBondContact O-N 3.34Å; A125-S127 VanDerWaalsContact C-N 3.29Å; A125-S127 PolarHBondContact O-N 3.5Å; A125-N128 PolarHBondContact O-N 2.95Å
126V60.8Low63.2Low59 Ų5976.7 Ų76.736%0.35843%0.431SS..Hα-helixtrans-67.7-28.2175.4169.70000112.2H122 I123 E124H122-V126 VanDerWaalsContact O-CG2 3.31Å; H122-V126 WeakPolarHBondContact O-CG2 3.31Å; H122-V126 PolarHBondContact O-N 2.88Å; I123-V126 PolarHBondContact O-N 3.05Å; E124-V126 VanDerWaalsContact C-N 3.3Å; E124-V126 PolarHBondContact O-N 3.11Å
127S57.4Low61.4Low65 Ų6584.8 Ų84.846%0.45547%0.468SS..Hα-helixtrans-82.4-20.6178.774.20000114.2I123 E124 A125I123-S127 PolarHBondContact O-N 2.9Å; E124-S127 PolarHBondContact O-N 3.18Å; E124-S127 PolarHBondContact O-OG 3.06Å; A125-S127 VanDerWaalsContact C-N 3.29Å; A125-S127 PolarHBondContact O-N 3.5Å
128N59.2Low59.6Low138 Ų13882.4 Ų82.474%0.73846%0.455SS*.Hα-helixtrans-89.5-26.6-171.4-169.445.6000113.8E124 A125E124-N128 PolarHBondContact O-N 3.4Å; A125-N128 PolarHBondContact O-N 2.95Å
129I58.6Low58.4Low101 Ų10183.4 Ų83.452%0.51846%0.46SS..  trans-100.6107.9-176.7-54.3171.8000108.7N131I129-N131 HydrophobicContact CG2-CB 3.83Å; I129-N131 PolarHBondContact O-N 3.38Å
130H55.5Low57.5Low161 Ų16186.1 Ų86.175%0.74547%0.472SS*.  trans-65.518.4177.8-133.187.1000114.6
131N54.8Low57.1Low76 Ų7688.1 Ų88.141%0.40648%0.48SS..  trans-11273.3-177.6-168.2-29000110.9I129 N133 S134I129-N131 HydrophobicContact CG2-CB 3.83Å; I129-N131 PolarHBondContact O-N 3.38Å; N131-N133 PolarHBondContact O-N 3.39Å; N131-S134 PolarHBondContact O-N 2.96Å; N131-S134 WeakPolarHBondContact OD1-CB 3.35Å; N131-S134 PolarHBondContact OD1-N 3.49Å; N131-S134 PolarHBondContact OD1-OG 3.35Å
132L55.4Low57Low51 Ų5189.4 Ų89.427%0.26747%0.474SS..Hα-helixtrans-66.3-20.4178.9-65172.7000113.4R47R47-L132 HydrophobicContact CB-CD1 4.28Å; R47-L132 HydrophobicContact CG-CD1 3.17Å
133N50.7Low57.1Low116 Ų11692.2 Ų92.262%0.6249%0.49SS*.Hα-helixtrans-77.3-29.9-179.5-93.5-5.2000113.1Q43 N131Q43-N133 PolarHBondContact NE2-OD1 3.5Å; N131-N133 PolarHBondContact O-N 3.39Å
134S49Very low57.5Low75 Ų7593.2 Ų93.252%0.52450%0.495SS..Hα-helixtrans-83.9-20.8177.8-70.50000114.2N131N131-S134 PolarHBondContact O-N 2.96Å; N131-S134 WeakPolarHBondContact OD1-CB 3.35Å; N131-S134 PolarHBondContact OD1-N 3.49Å; N131-S134 PolarHBondContact OD1-OG 3.35Å
135V51.3Low57.9Low59 Ų5995.4 Ų95.436%0.35850%0.499SS..Hα-helixtrans-74.8-29.2-177.8178.60000112.4Q137 S138V135-Q137 PolarHBondContact O-N 3.47Å; V135-S138 PolarHBondContact O-OG 2.89Å
136H50.8Low58.4Low146 Ų14695.7 Ų95.768%0.67649%0.489SS*.THydrogen-bonded Turntrans-70.4-15.9-179.7-164.946.6000113.6Q141H136-Q141 PolarHBondContact ND1-OE1 3.1Å
137Q46.5Very low59.4Low181 Ų18195.1 Ų95.185%0.84649%0.485SS*.THydrogen-bonded Turntrans-88.4-0.7-178.5-111.7-178.6-16.100114.9V135V135-Q137 PolarHBondContact O-N 3.47Å
138S46.7Very low60.5Low53 Ų5394.8 Ų94.837%0.37148%0.477SS..SBendtrans-108146.2178.770.80000111.9V135 H140V135-S138 PolarHBondContact O-OG 2.89Å; S138-H140 PolarHBondContact O-N 3.16Å; S138-H140 WeakPolarHBondContact OG-CB 3.49Å
139P52.2Low61.6Low106 Ų10690.9 Ų90.969%0.68846%0.455SS*.THydrogen-bonded Turntrans-636.5-178.925.7-34.1000114.9Q141 R142 L143P139-Q141 PolarHBondContact O-N 3.04Å; P139-R142 PolarHBondContact O-N 2.89Å; P139-L143 PolarHBondContact O-N 3.03Å
140H58.3Low62.8Low67 Ų6787.1 Ų87.131%0.3144%0.439SS..Hα-helixtrans-61-33.4-177.6-166.8-111.7000114.2H122 S138 R142 L143 H144H122-H140 AromaticContact CD2-CE1 3.44Å; H122-H140 PolarHBondContact CD2-CE1 2.77Å; H122-H140 VanDerWaalsContact CD2-CE1 3.44Å; H122-H140 AromaticContact CD2-NE2 3.19Å; H122-H140 PolarHBondContact CD2-NE2 2.92Å; H122-H140 AromaticContact CE1-CE1 2.9Å; H122-H140 PolarHBondContact CE1-CE1 3.36Å; H122-H140 AromaticContact CE1-ND1 3.42Å; H122-H140 PolarHBondContact CE1-ND1 2.84Å; H122-H140 AromaticContact CE1-NE2 3.52Å; H122-H140 AromaticContact CG-CE1 3.86Å; H122-H140 AromaticContact CG-NE2 3.9Å; H122-H140 AromaticContact ND1-CE1 3.54Å; H122-H140 AromaticContact NE2-CD2 3.59Å; H122-H140 AromaticContact NE2-CE1 2.86Å; H122-H140 PolarHBondContact NE2-CE1 3.18Å; H122-H140 AromaticContact NE2-CG 3.82Å; H122-H140 AromaticContact NE2-ND1 3.37Å; H122-H140 PolarHBondContact NE2-ND1 3.15Å; H122-H140 AromaticContact NE2-NE2 2.98Å; H122-H140 PolarHBondContact NE2-NE2 3.3Å; S138-H140 PolarHBondContact O-N 3.16Å; S138-H140 WeakPolarHBondContact OG-CB 3.49Å; H140-R142 VanDerWaalsContact C-N 3.32Å; H140-R142 PolarHBondContact O-N 2.79Å; H140-L143 PolarHBondContact O-N 2.96Å; H140-H144 PolarHBondContact O-N 3.33Å
141Q62.6Low64.3Low105 Ų10581 Ų8149%0.49141%0.41SS..Hα-helixtrans-70.5-26.1-179.6-170.5170.5-1.600113.6H136 P139 R145H136-Q141 PolarHBondContact ND1-OE1 3.1Å; P139-Q141 PolarHBondContact O-N 3.04Å; Q141-R145 PolarHBondContact O-N 3.44Å; Q141-R145 PolarHBondContact O-NE 3.39Å
142R66.5Low65.8Low111 Ų11178.5 Ų78.542%0.41940%0.401SS..Hα-helixtrans-74.8-47.3171.2-70.7-175.181.4172.15.5109.4P139 H140 H144 R145 Y146 H268P139-R142 PolarHBondContact O-N 2.89Å; H140-R142 VanDerWaalsContact C-N 3.32Å; H140-R142 PolarHBondContact O-N 2.79Å; R142-H144 PolarHBondContact O-N 3.41Å; R142-R145 PolarHBondContact O-N 3.33Å; R142-R145 VanDerWaalsContact O-N 3.15Å; R142-Y146 HydrophobicContact CB-CE2 4.14Å; R142-Y146 WeakPolarHBondContact O-CD2 3.03Å; R142-Y146 WeakPolarHBondContact O-CE2 3.3Å; R142-Y146 PolarHBondContact O-N 2.9Å; R142-Y146 VanDerWaalsContact O-N 3.1Å; R142-H268 PolarHBondContact NH2-CD2 2.93Å; R142-H268 PolarHBondContact NH2-NE2 2.99Å
143L68Low67.3Low105 Ų10577.9 Ų77.955%0.5540%0.397SS..Hα-helixtrans-55.3-49.1177.5-174.463.5000112.2P139 H140 R145 Y146 V147P139-L143 PolarHBondContact O-N 3.03Å; H140-L143 PolarHBondContact O-N 2.96Å; L143-R145 VanDerWaalsContact C-N 3.33Å; L143-R145 PolarHBondContact O-N 3.35Å; L143-Y146 WeakPolarHBondContact O-CB 3.17Å; L143-Y146 PolarHBondContact O-N 2.87Å; L143-V147 WeakPolarHBondContact O-CG2 3.25Å; L143-V147 PolarHBondContact O-N 3.35Å
144H73.4Confident69.2Low34 Ų3472.7 Ų72.716%0.15737%0.369CS..Hα-helixtrans-63.4-36.3178.6-173.1-85.7000113L119 H122 H140 R142 Y146 V147 E148L119-H144 VanDerWaalsContact CD2-NE2 3.3Å; L119-H144 WeakPolarHBondContact CD2-NE2 3.41Å; H122-H144 AromaticContact CE1-CD2 3.16Å; H122-H144 PolarHBondContact CE1-CD2 2.89Å; H122-H144 AromaticContact CE1-CG 3.75Å; H122-H144 AromaticContact ND1-CD2 3.56Å; H122-H144 AromaticContact NE2-CD2 3.64Å; H140-H144 PolarHBondContact O-N 3.33Å; R142-H144 PolarHBondContact O-N 3.41Å; H144-Y146 VanDerWaalsContact C-N 3.29Å; H144-Y146 PolarHBondContact O-N 3.01Å; H144-V147 PolarHBondContact O-N 3.26Å; H144-E148 WeakPolarHBondContact O-CB 3.43Å; H144-E148 PolarHBondContact O-N 3.3Å
145R73.6Confident71.1Confident139 Ų13970.9 Ų70.953%0.52536%0.355SS..Hα-helixtrans-62.7-35.4172.6-87.6-172.7-83.2171.7-9.7112Q141 R142 L143 L149Q141-R145 PolarHBondContact O-N 3.44Å; Q141-R145 PolarHBondContact O-NE 3.39Å; R142-R145 PolarHBondContact O-N 3.33Å; R142-R145 VanDerWaalsContact O-N 3.15Å; L143-R145 VanDerWaalsContact C-N 3.33Å; L143-R145 PolarHBondContact O-N 3.35Å; R145-L149 VanDerWaalsContact O-CB 3.32Å; R145-L149 WeakPolarHBondContact O-CB 3.31Å; R145-L149 WeakPolarHBondContact O-CG 3.41Å; R145-L149 PolarHBondContact O-N 3.5Å
146Y75.9Confident72.9Confident61 Ų6169 Ų6924%0.23935%0.345CS..Hα-helixtrans-66.1-43.4172.8-69.8-64.7000112.6R142 L143 H144 E148 L149 A150 L265 H268R142-Y146 HydrophobicContact CB-CE2 4.14Å; R142-Y146 WeakPolarHBondContact O-CD2 3.03Å; R142-Y146 WeakPolarHBondContact O-CE2 3.3Å; R142-Y146 PolarHBondContact O-N 2.9Å; R142-Y146 VanDerWaalsContact O-N 3.1Å; L143-Y146 WeakPolarHBondContact O-CB 3.17Å; L143-Y146 PolarHBondContact O-N 2.87Å; H144-Y146 VanDerWaalsContact C-N 3.29Å; H144-Y146 PolarHBondContact O-N 3.01Å; Y146-E148 VanDerWaalsContact C-N 3.33Å; Y146-L149 PolarHBondContact O-N 2.73Å; Y146-A150 VanDerWaalsContact O-CB 3.25Å; Y146-A150 WeakPolarHBondContact O-CB 3.31Å; Y146-A150 PolarHBondContact O-N 2.99Å; Y146-L265 HydrophobicContact CD1-CD2 4.33Å; Y146-H268 HydrophobicContact CE1-CB 3.7Å; Y146-H268 AromaticContact CE1-CE1 3.87Å; Y146-H268 AromaticContact CE1-CG 3.41Å; Y146-H268 VanDerWaalsContact CE1-CG 3.41Å; Y146-H268 AromaticContact CE1-ND1 3.25Å; Y146-H268 VanDerWaalsContact CE1-ND1 3.25Å; Y146-H268 WeakPolarHBondContact CE1-ND1 3.33Å; Y146-H268 AromaticContact CE2-CE1 3.16Å; Y146-H268 WeakPolarHBondContact CE2-CE1 3.43Å; Y146-H268 AromaticContact CE2-ND1 3.46Å; Y146-H268 WeakPolarHBondContact CE2-ND1 3.44Å; Y146-H268 AromaticContact CE2-NE2 3.66Å; Y146-H268 AromaticContact CZ-CD2 3.48Å; Y146-H268 VanDerWaalsContact CZ-CD2 3.48Å; Y146-H268 AromaticContact CZ-CE1 3.08Å; Y146-H268 AromaticContact CZ-CG 3.17Å; Y146-H268 AromaticContact CZ-ND1 2.96Å; Y146-H268 AromaticContact CZ-NE2 3.39Å; Y146-H268 PolarHBondContact OH-CD2 3Å; Y146-H268 PolarHBondContact OH-CE1 3.48Å; Y146-H268 PolarHBondContact OH-ND1 3.1Å; Y146-H268 PolarHBondContact OH-NE2 2.88Å
147V79.9Confident74.8Confident47 Ų4764 Ų6429%0.28532%0.324SS..Hα-helixtrans-63.8-42.5178.3-175.40000110.2V115 L119 L143 H144 A150 W151V115-V147 HydrophobicContact CG1-CG1 3.58Å; L119-V147 HydrophobicContact CD1-CB 4.41Å; L119-V147 HydrophobicContact CD1-CG1 3.44Å; L119-V147 VanDerWaalsContact CD1-CG1 3.44Å; L119-V147 HydrophobicContact CG-CG1 4.02Å; L143-V147 WeakPolarHBondContact O-CG2 3.25Å; L143-V147 PolarHBondContact O-N 3.35Å; H144-V147 PolarHBondContact O-N 3.26Å; V147-A150 PolarHBondContact O-N 2.91Å; V147-W151 WeakPolarHBondContact O-CB 3.41Å; V147-W151 PolarHBondContact O-N 3.12Å
148E80.8Confident77Confident59 Ų5955.4 Ų55.428%0.27628%0.283SS..Hα-helixtrans-66.2-39.3176-169.2173.5-176.800112.3K60 H144 Y146 W151 G152K60-E148 IonicContact NZ-OE1 2.99Å; K60-E148 PolarHBondContact NZ-OE1 2.98Å; H144-E148 WeakPolarHBondContact O-CB 3.43Å; H144-E148 PolarHBondContact O-N 3.3Å; Y146-E148 VanDerWaalsContact C-N 3.33Å; E148-W151 HydrophobicContact CG-CE3 4.4Å; E148-G152 PolarHBondContact O-N 2.95Å
149L81.9Confident79.1Confident56 Ų5654.7 Ų54.729%0.29328%0.277SS..Hα-helixtrans-66.8-41.4174.2-75172.5000112.3R145 Y146 G152 F153 F261 L265R145-L149 VanDerWaalsContact O-CB 3.32Å; R145-L149 WeakPolarHBondContact O-CB 3.31Å; R145-L149 WeakPolarHBondContact O-CG 3.41Å; R145-L149 PolarHBondContact O-N 3.5Å; Y146-L149 PolarHBondContact O-N 2.73Å; L149-G152 PolarHBondContact O-N 3.32Å; L149-F153 VanDerWaalsContact O-CB 3.3Å; L149-F153 WeakPolarHBondContact O-CB 3.16Å; L149-F153 PolarHBondContact O-N 2.95Å; L149-F261 HydrophobicContact CD2-CD1 4.07Å; L149-F261 HydrophobicContact CD2-CE1 4.04Å; L149-L265 HydrophobicContact CB-CD2 4.07Å
150A84.8Confident81.1Confident21 Ų2151.5 Ų51.517%0.17425%0.252CS..Hα-helixtrans-64.1-43.2176.400000110.9Y146 V147 F153 S154Y146-A150 VanDerWaalsContact O-CB 3.25Å; Y146-A150 WeakPolarHBondContact O-CB 3.31Å; Y146-A150 PolarHBondContact O-N 2.99Å; V147-A150 PolarHBondContact O-N 2.91Å; A150-F153 PolarHBondContact O-N 3.44Å; A150-S154 PolarHBondContact O-N 2.78Å; A150-S154 PolarHBondContact O-OG 2.78Å
151W87.5Confident82.7Confident34 Ų3449.3 Ų49.313%0.12924%0.243CC..Hα-helixtrans-59.2-48173.2171.172000112.3K60 S64 V115 S116 V147 E148 S154 T155K60-W151 HydrophobicContact CB-CH2 3.63Å; K60-W151 HydrophobicContact CB-CZ2 3.95Å; K60-W151 HydrophobicContact CB-CZ3 4.43Å; K60-W151 HydrophobicContact CD-CH2 3.7Å; K60-W151 HydrophobicContact CD-CZ3 3.81Å; K60-W151 HydrophobicContact CG-CH2 3.7Å; K60-W151 HydrophobicContact CG-CZ2 4.47Å; K60-W151 HydrophobicContact CG-CZ3 4.33Å; S64-W151 PolarHBondContact OG-NE1 3.04Å; V115-W151 HydrophobicContact CG1-CB 3.71Å; V115-W151 HydrophobicContact CG1-CG 4.49Å; S116-W151 PolarHBondContact OG-NE1 3.47Å; V147-W151 WeakPolarHBondContact O-CB 3.41Å; V147-W151 PolarHBondContact O-N 3.12Å; E148-W151 HydrophobicContact CG-CE3 4.4Å; W151-S154 PolarHBondContact O-N 3.49Å; W151-T155 PolarHBondContact O-N 3.32Å; W151-T155 VanDerWaalsContact O-N 3.1Å; W151-T155 PolarHBondContact O-OG1 3.48Å
152G86.3Confident84.2Confident22 Ų2246.7 Ų46.723%0.22723%0.23CC..Hα-helixtrans-61.3-43.9176.200000112.5E148 L149 T155 A156E148-G152 PolarHBondContact O-N 2.95Å; L149-G152 PolarHBondContact O-N 3.32Å; G152-T155 PolarHBondContact O-N 2.91Å; G152-A156 PolarHBondContact O-N 2.77Å
153F86.9Confident85.5Confident39 Ų3942.9 Ų42.917%0.17122%0.218CC..Hα-helixtrans-60.3-46.6177.4173.4-106.2000112.2L149 A150 T155 A156 L157 A258 F261 L265L149-F153 VanDerWaalsContact O-CB 3.3Å; L149-F153 WeakPolarHBondContact O-CB 3.16Å; L149-F153 PolarHBondContact O-N 2.95Å; A150-F153 PolarHBondContact O-N 3.44Å; F153-T155 VanDerWaalsContact C-N 3.28Å; F153-T155 PolarHBondContact O-N 3.46Å; F153-A156 PolarHBondContact O-N 3.31Å; F153-L157 HydrophobicContact CE1-CD2 4Å; F153-L157 HydrophobicContact CZ-CD2 4Å; F153-L157 VanDerWaalsContact O-CB 3.32Å; F153-L157 WeakPolarHBondContact O-CB 3.19Å; F153-L157 PolarHBondContact O-N 3.46Å; F153-A258 HydrophobicContact CE2-CB 4.2Å; F153-A258 WeakPolarHBondContact CE2-O 3.5Å; F153-F261 HydrophobicContact CB-CB 4.21Å; F153-F261 HydrophobicContact CD2-CB 3.72Å; F153-F261 HydrophobicContact CG-CB 4.39Å; F153-L265 HydrophobicContact CB-CD1 4.35Å; F153-L265 HydrophobicContact CD1-CD1 4.35Å; F153-L265 HydrophobicContact CG-CD1 4.28Å
154S90.6Very high86.6Confident6 Ų639.2 Ų39.24%0.04220%0.202CC..Hα-helixtrans-66.2-31.6178.8-58.30000112.6V108 F111 A150 W151 G158V108-S154 WeakPolarHBondContact CG1-O 3.47Å; F111-S154 WeakPolarHBondContact CD1-OG 3.25Å; F111-S154 WeakPolarHBondContact CE1-OG 3.46Å; A150-S154 PolarHBondContact O-N 2.78Å; A150-S154 PolarHBondContact O-OG 2.78Å; W151-S154 PolarHBondContact O-N 3.49Å; S154-G158 PolarHBondContact O-N 3.35Å
155T89.4Confident87.6Confident37 Ų3737.8 Ų37.823%0.22720%0.196CC..Hα-helixtrans-69.5-43.7174.3-53.30000111.2W151 G152 F153 T159W151-T155 PolarHBondContact O-N 3.32Å; W151-T155 VanDerWaalsContact O-N 3.1Å; W151-T155 PolarHBondContact O-OG1 3.48Å; G152-T155 PolarHBondContact O-N 2.91Å; F153-T155 VanDerWaalsContact C-N 3.28Å; F153-T155 PolarHBondContact O-N 3.46Å; T155-T159 PolarHBondContact O-N 3.25Å; T155-T159 PolarHBondContact O-OG1 3.45Å
156A89.1Confident88.4Confident19 Ų1934.8 Ų34.816%0.15719%0.192CC..Hα-helixtrans-64.5-46.1175.900000111.9G152 F153 T159 F160G152-A156 PolarHBondContact O-N 2.77Å; F153-A156 PolarHBondContact O-N 3.31Å; A156-T159 PolarHBondContact O-N 2.96Å; A156-F160 PolarHBondContact O-N 2.92Å
157L90.1Very high89.1Confident42 Ų4232.9 Ų32.922%0.2219%0.187CC..Hα-helixtrans-65.4-41.5178.6-174.466.3000111.7V108 F153 T159 F160 L161V108-L157 HydrophobicContact CG1-CB 4.19Å; V108-L157 HydrophobicContact CG1-CD2 4.36Å; V108-L157 HydrophobicContact CG1-CG 4.37Å; V108-L157 HydrophobicContact CG2-CD2 3.83Å; V108-L157 HydrophobicContact CG2-CG 4.37Å; F153-L157 HydrophobicContact CE1-CD2 4Å; F153-L157 HydrophobicContact CZ-CD2 4Å; F153-L157 VanDerWaalsContact O-CB 3.32Å; F153-L157 WeakPolarHBondContact O-CB 3.19Å; F153-L157 PolarHBondContact O-N 3.46Å; L157-T159 VanDerWaalsContact C-N 3.33Å; L157-T159 PolarHBondContact O-N 3.15Å; L157-F160 HydrophobicContact CD1-CD1 4.48Å; L157-F160 PolarHBondContact O-N 3.42Å; L157-L161 HydrophobicContact CG-CD1 4.1Å; L157-L161 WeakPolarHBondContact O-CB 2.94Å; L157-L161 VanDerWaalsContact O-CG 3.31Å; L157-L161 WeakPolarHBondContact O-CG 3.49Å; L157-L161 PolarHBondContact O-N 2.91Å
158G92.7Very high89.7Confident0 Ų032 Ų320%018%0.181CC..Hα-helixtrans-62.2-40.9175.200000112.2S154 L161 F162S154-G158 PolarHBondContact O-N 3.35Å; G158-L161 PolarHBondContact O-N 3.49Å; G158-F162 WeakPolarHBondContact O-CB 3.32Å; G158-F162 PolarHBondContact O-N 3.41Å
159T91.3Very high90.1Very high38 Ų3830.7 Ų30.723%0.23318%0.177CC..Hα-helixtrans-64.3-43.2174.4-51.40000111.6T155 A156 L157 F162 L163 F254T155-T159 PolarHBondContact O-N 3.25Å; T155-T159 PolarHBondContact O-OG1 3.45Å; A156-T159 PolarHBondContact O-N 2.96Å; L157-T159 VanDerWaalsContact C-N 3.33Å; L157-T159 PolarHBondContact O-N 3.15Å; T159-F162 WeakPolarHBondContact O-CB 3.25Å; T159-F162 PolarHBondContact O-N 3.43Å; T159-L163 HydrophobicContact CG2-CD1 4.19Å; T159-L163 WeakPolarHBondContact O-CD1 3.09Å; T159-L163 PolarHBondContact O-N 3.04Å; T159-L163 VanDerWaalsContact O-N 3.08Å; T159-F254 HydrophobicContact CG2-CE1 3.97Å; T159-F254 HydrophobicContact CG2-CZ 4.01Å
160F92.8Very high90.4Very high39 Ų3928.5 Ų28.517%0.17117%0.168CC..Hα-helixtrans-60.9-45.4175.5172.8-96.7000112A156 L157 F162 L163 A164 F254 M255A156-F160 PolarHBondContact O-N 2.92Å; L157-F160 HydrophobicContact CD1-CD1 4.48Å; L157-F160 PolarHBondContact O-N 3.42Å; F160-F162 VanDerWaalsContact C-N 3.29Å; F160-F162 PolarHBondContact O-N 2.95Å; F160-L163 WeakPolarHBondContact O-CB 3.31Å; F160-L163 PolarHBondContact O-N 2.7Å; F160-A164 PolarHBondContact O-N 3.36Å; F160-F254 HydrophobicContact CB-CB 4.2Å; F160-F254 HydrophobicContact CD2-CB 3.92Å; F160-M255 HydrophobicContact CE1-CE 3.77Å; F160-M255 HydrophobicContact CE2-CB 4.38Å; F160-M255 HydrophobicContact CE2-CE 3.77Å; F160-M255 HydrophobicContact CZ-CE 3.21Å; F160-M255 HydrophobicContact CZ-SD 4.4Å
161L93.1Very high90.5Very high21 Ų2129.6 Ų29.611%0.1117%0.167CC..Hα-helixtrans-65.1-34.7177.2-71168.8000111.6V104 L105 V108 L157 G158 L163 A164 E165V104-L161 HydrophobicContact CB-CD1 4.31Å; V104-L161 HydrophobicContact CG1-CD1 3.6Å; L105-L161 HydrophobicContact CB-CB 4.08Å; L105-L161 HydrophobicContact CD1-CB 4.1Å; L105-L161 HydrophobicContact CG-CB 4.35Å; V108-L161 HydrophobicContact CB-CD1 4.48Å; V108-L161 HydrophobicContact CG2-CD1 4.1Å; L157-L161 HydrophobicContact CG-CD1 4.1Å; L157-L161 WeakPolarHBondContact O-CB 2.94Å; L157-L161 VanDerWaalsContact O-CG 3.31Å; L157-L161 WeakPolarHBondContact O-CG 3.49Å; L157-L161 PolarHBondContact O-N 2.91Å; G158-L161 PolarHBondContact O-N 3.49Å; L161-L163 VanDerWaalsContact C-N 3.32Å; L161-L163 PolarHBondContact O-N 3.22Å; L161-A164 PolarHBondContact O-N 3.43Å; L161-E165 WeakPolarHBondContact O-CB 3.5Å; L161-E165 PolarHBondContact O-N 3.47Å
162F93.8Very high90.5Very high50 Ų5028.2 Ų28.222%0.21916%0.163CC..Hα-helixtrans-63.8-40174.6-177.5-96.3000111.6L71 A75 L105 G158 T159 F160 E165 V166L71-F162 HydrophobicContact CB-CD2 4.25Å; L71-F162 HydrophobicContact CD2-CD1 4.03Å; L71-F162 HydrophobicContact CD2-CD2 4.07Å; L71-F162 HydrophobicContact CD2-CE1 3.94Å; L71-F162 HydrophobicContact CD2-CE2 3.99Å; L71-F162 HydrophobicContact CD2-CG 4.09Å; L71-F162 HydrophobicContact CD2-CZ 3.92Å; A75-F162 HydrophobicContact CB-CD2 4.16Å; A75-F162 HydrophobicContact CB-CE2 4.23Å; L105-F162 VanDerWaalsContact CD1-CA 3.4Å; L105-F162 HydrophobicContact CD1-CB 3.92Å; L105-F162 HydrophobicContact CD1-CD2 4.32Å; G158-F162 WeakPolarHBondContact O-CB 3.32Å; G158-F162 PolarHBondContact O-N 3.41Å; T159-F162 WeakPolarHBondContact O-CB 3.25Å; T159-F162 PolarHBondContact O-N 3.43Å; F160-F162 VanDerWaalsContact C-N 3.29Å; F160-F162 PolarHBondContact O-N 2.95Å; F162-E165 WeakPolarHBondContact O-CB 3.46Å; F162-E165 PolarHBondContact O-N 2.97Å; F162-V166 HydrophobicContact CE1-CG2 4.34Å; F162-V166 WeakPolarHBondContact O-CG2 3.33Å; F162-V166 PolarHBondContact O-N 2.94Å; F162-V166 VanDerWaalsContact O-N 3.17Å
163L93Very high90.4Very high32 Ų3232.1 Ų32.117%0.16817%0.173CC..Hα-helixtrans-62.7-44.7171.9-92.676.3000111.4T159 F160 L161 E165 V166 V167 M247 V250 F254T159-L163 HydrophobicContact CG2-CD1 4.19Å; T159-L163 WeakPolarHBondContact O-CD1 3.09Å; T159-L163 PolarHBondContact O-N 3.04Å; T159-L163 VanDerWaalsContact O-N 3.08Å; F160-L163 WeakPolarHBondContact O-CB 3.31Å; F160-L163 PolarHBondContact O-N 2.7Å; L161-L163 VanDerWaalsContact C-N 3.32Å; L161-L163 PolarHBondContact O-N 3.22Å; L163-E165 VanDerWaalsContact C-N 3.32Å; L163-E165 PolarHBondContact O-N 3.22Å; L163-V166 PolarHBondContact O-N 3.02Å; L163-V167 WeakPolarHBondContact O-CG2 3.2Å; L163-V167 PolarHBondContact O-N 3.05Å; L163-M247 HydrophobicContact CB-CE 3.35Å; L163-M247 HydrophobicContact CD2-CE 3.63Å; L163-M247 HydrophobicContact CG-CE 3.35Å; L163-M247 VanDerWaalsContact O-CE 3.26Å; L163-M247 WeakPolarHBondContact O-CE 3.3Å; L163-V250 HydrophobicContact CD2-CB 4.28Å; L163-V250 HydrophobicContact CD2-CG1 3.59Å; L163-F254 HydrophobicContact CD2-CD2 4.26Å; L163-F254 HydrophobicContact CD2-CE2 4.33Å
164A92.2Very high90.1Very high27 Ų2734 Ų3422%0.22318%0.182CC..Hα-helixtrans-62.3-38.8177.200000112.3F160 L161 V167 L168F160-A164 PolarHBondContact O-N 3.36Å; L161-A164 PolarHBondContact O-N 3.43Å; A164-V167 WeakPolarHBondContact O-CB 3.21Å; A164-V167 PolarHBondContact O-N 3.13Å; A164-L168 WeakPolarHBondContact O-CG 3.37Å; A164-L168 PolarHBondContact O-N 3.27Å
165E93Very high89.5Confident5 Ų535.2 Ų35.22%0.02319%0.189CC..Hα-helixtrans-59.6-46.8176.1-169.472.3-179.700111.4A75 F98 C101 T102 L105 L161 F162 L163 V167 L168 V169A75-E165 HydrophobicContact CB-CG 4.45Å; F98-E165 VanDerWaalsContact CE2-OE1 3.31Å; F98-E165 WeakPolarHBondContact CE2-OE1 3.4Å; C101-E165 PolarHBondContact SG-OE2 2.92Å; T102-E165 WeakPolarHBondContact CB-OE1 3.29Å; T102-E165 WeakPolarHBondContact CG2-OE1 3.35Å; T102-E165 PolarHBondContact N-OE2 2.99Å; T102-E165 VanDerWaalsContact OG1-CD 3.24Å; T102-E165 PolarHBondContact OG1-OE1 2.91Å; T102-E165 PolarHBondContact OG1-OE2 2.99Å; L105-E165 HydrophobicContact CD1-CB 4.21Å; L161-E165 WeakPolarHBondContact O-CB 3.5Å; L161-E165 PolarHBondContact O-N 3.47Å; F162-E165 WeakPolarHBondContact O-CB 3.46Å; F162-E165 PolarHBondContact O-N 2.97Å; L163-E165 VanDerWaalsContact C-N 3.32Å; L163-E165 PolarHBondContact O-N 3.22Å; E165-V167 VanDerWaalsContact C-N 3.29Å; E165-V167 PolarHBondContact O-N 3.35Å; E165-L168 PolarHBondContact O-N 3.47Å; E165-V169 WeakPolarHBondContact O-CG2 3.4Å; E165-V169 PolarHBondContact O-N 3.38Å
166V91.6Very high88.5Confident75 Ų7534.7 Ų34.746%0.45519%0.186SC..Hα-helixtrans-60.2-40.6176.9172.50000111.3F162 L163 G170 M247F162-V166 HydrophobicContact CE1-CG2 4.34Å; F162-V166 WeakPolarHBondContact O-CG2 3.33Å; F162-V166 PolarHBondContact O-N 2.94Å; F162-V166 VanDerWaalsContact O-N 3.17Å; L163-V166 PolarHBondContact O-N 3.02Å; V166-G170 PolarHBondContact O-N 3.06Å; V166-G170 VanDerWaalsContact O-N 3.1Å; V166-M247 HydrophobicContact CG1-SD 4.47Å
167V91.4Very high87.3Confident22 Ų2238.6 Ų38.613%0.13320%0.203CC..Hα-helixtrans-62.8-49.7174.51740000110.3L163 A164 E165 V169 G170 W171 T244 M247L163-V167 WeakPolarHBondContact O-CG2 3.2Å; L163-V167 PolarHBondContact O-N 3.05Å; A164-V167 WeakPolarHBondContact O-CB 3.21Å; A164-V167 PolarHBondContact O-N 3.13Å; E165-V167 VanDerWaalsContact C-N 3.29Å; E165-V167 PolarHBondContact O-N 3.35Å; V167-V169 VanDerWaalsContact C-N 3.34Å; V167-V169 PolarHBondContact O-N 3.35Å; V167-G170 CarbonylContact O-C 3.42Å; V167-G170 WeakPolarHBondContact O-CA 3.36Å; V167-G170 PolarHBondContact O-N 3.27Å; V167-W171 PolarHBondContact O-N 3.09Å; V167-T244 HydrophobicContact CG1-CG2 4.25Å; V167-M247 HydrophobicContact CG2-CB 4.05Å; V167-M247 HydrophobicContact CG2-CE 3.9Å; V167-M247 HydrophobicContact CG2-CG 4.24Å; V167-M247 HydrophobicContact CG2-SD 3.38Å; V167-M247 WeakPolarHBondContact CG2-SD 3.47Å
168L90.9Very high85.7Confident28 Ų2837.5 Ų37.515%0.14720%0.202CC..Hα-helixtrans-60.6-40.5-179.8-72.8166.3000112.3L94 A97 F98 C101 A164 E165 G170 W171 V172L94-L168 HydrophobicContact CD1-CD2 3.97Å; A97-L168 HydrophobicContact CB-CD2 4.36Å; F98-L168 HydrophobicContact CD2-CB 4.02Å; C101-L168 HydrophobicContact CB-CD1 3.48Å; C101-L168 VanDerWaalsContact CB-CD1 3.48Å; A164-L168 WeakPolarHBondContact O-CG 3.37Å; A164-L168 PolarHBondContact O-N 3.27Å; E165-L168 PolarHBondContact O-N 3.47Å; L168-G170 VanDerWaalsContact C-N 3.3Å; L168-G170 PolarHBondContact O-N 3.15Å; L168-W171 WeakPolarHBondContact O-CB 3.32Å; L168-W171 PolarHBondContact O-N 3.4Å; L168-W171 VanDerWaalsContact O-N 3.14Å; L168-V172 WeakPolarHBondContact O-CG2 3.33Å; L168-V172 PolarHBondContact O-N 3.16Å
169V90Very high84Confident31 Ų3139.3 Ų39.319%0.18822%0.217CC..Hα-helixtrans-60.7-41.9173.2171.30000110.8V82 F98 E165 V167 W171 V172 K173V82-V169 HydrophobicContact CG2-CG1 4.25Å; F98-V169 HydrophobicContact CE2-CG2 3.83Å; F98-V169 HydrophobicContact CZ-CG2 4.48Å; E165-V169 WeakPolarHBondContact O-CG2 3.4Å; E165-V169 PolarHBondContact O-N 3.38Å; V167-V169 VanDerWaalsContact C-N 3.34Å; V167-V169 PolarHBondContact O-N 3.35Å; V169-W171 VanDerWaalsContact C-N 3.35Å; V169-W171 PolarHBondContact O-N 3.38Å; V169-V172 PolarHBondContact O-N 3.36Å; V169-K173 HydrophobicContact CG1-CG 4.5Å; V169-K173 WeakPolarHBondContact O-CB 3.29Å; V169-K173 PolarHBondContact O-N 3.14Å
170G87.6Confident82Confident10 Ų1042.8 Ų42.810%0.10324%0.24CC..Hα-helixtrans-57.4-47.3172.100000111.8V166 V167 L168 K173 F174V166-G170 PolarHBondContact O-N 3.06Å; V166-G170 VanDerWaalsContact O-N 3.1Å; V167-G170 CarbonylContact O-C 3.42Å; V167-G170 WeakPolarHBondContact O-CA 3.36Å; V167-G170 PolarHBondContact O-N 3.27Å; L168-G170 VanDerWaalsContact C-N 3.3Å; L168-G170 PolarHBondContact O-N 3.15Å; G170-K173 PolarHBondContact O-N 2.9Å; G170-F174 VanDerWaalsContact O-CB 3.28Å; G170-F174 WeakPolarHBondContact O-CB 3.41Å; G170-F174 WeakPolarHBondContact O-CD2 3.41Å; G170-F174 WeakPolarHBondContact O-CG 3.34Å; G170-F174 PolarHBondContact O-N 3.36Å
171W87.8Confident79.9Confident44 Ų4449.6 Ų49.617%0.16728%0.275CS..Hα-helixtrans-60.6-47.9175.8-76.896.9000112.4L94 V167 L168 V169 K173 F174 V175 W237 A240 M241 T244L94-W171 HydrophobicContact CD1-CB 3.79Å; L94-W171 HydrophobicContact CD2-CB 4.21Å; V167-W171 PolarHBondContact O-N 3.09Å; L168-W171 WeakPolarHBondContact O-CB 3.32Å; L168-W171 PolarHBondContact O-N 3.4Å; L168-W171 VanDerWaalsContact O-N 3.14Å; V169-W171 VanDerWaalsContact C-N 3.35Å; V169-W171 PolarHBondContact O-N 3.38Å; W171-K173 VanDerWaalsContact C-N 3.28Å; W171-K173 PolarHBondContact O-N 3.34Å; W171-F174 PolarHBondContact O-N 3.42Å; W171-V175 HydrophobicContact CE3-CG2 4.02Å; W171-V175 VanDerWaalsContact O-CB 3.23Å; W171-V175 WeakPolarHBondContact O-CB 3.35Å; W171-V175 WeakPolarHBondContact O-CG2 3.49Å; W171-V175 PolarHBondContact O-N 3.49Å; W171-W237 HydrophobicContact CE3-CZ3 4.49Å; W171-W237 HydrophobicContact CH2-CE3 4.47Å; W171-W237 HydrophobicContact CH2-CH2 4.12Å; W171-W237 HydrophobicContact CH2-CZ2 4.17Å; W171-W237 HydrophobicContact CH2-CZ3 4.28Å; W171-W237 HydrophobicContact CZ3-CD2 4.15Å; W171-W237 AromaticContact CZ3-CE3 3.72Å; W171-W237 HydrophobicContact CZ3-CE3 3.72Å; W171-W237 AromaticContact CZ3-CH2 3.82Å; W171-W237 HydrophobicContact CZ3-CH2 3.82Å; W171-W237 HydrophobicContact CZ3-CZ2 4.25Å; W171-W237 AromaticContact CZ3-CZ3 3.55Å; W171-W237 HydrophobicContact CZ3-CZ3 3.55Å; W171-A240 HydrophobicContact CD2-CB 3.79Å; W171-A240 HydrophobicContact CE3-CB 3.78Å; W171-A240 HydrophobicContact CG-CB 4.37Å; W171-A240 HydrophobicContact CH2-CB 4.22Å; W171-A240 HydrophobicContact CZ2-CB 4.21Å; W171-A240 HydrophobicContact CZ3-CB 4Å; W171-M241 HydrophobicContact CH2-CG 3.84Å; W171-M241 HydrophobicContact CZ2-CG 4.29Å; W171-T244 PolarHBondContact NE1-OG1 3.48Å
172V86.9Confident77.7Confident5 Ų555.7 Ų55.73%0.0331%0.307CS..Hα-helixtrans-60.7-37.4178.6173.70000111.5V82 Y90 L94 F98 L168 V169 P176V82-V172 HydrophobicContact CG1-CG1 4.26Å; V82-V172 HydrophobicContact CG2-CG1 4.22Å; Y90-V172 WeakPolarHBondContact CE1-O 3.37Å; L94-V172 HydrophobicContact CD2-CG2 4.07Å; L94-V172 HydrophobicContact CG-CG2 4.14Å; F98-V172 HydrophobicContact CG-CG2 4.42Å; L168-V172 WeakPolarHBondContact O-CG2 3.33Å; L168-V172 PolarHBondContact O-N 3.16Å; V169-V172 PolarHBondContact O-N 3.36Å; V172-P176 WeakPolarHBondContact O-CD 3.46Å
173K84.3Confident75Confident104 Ų10462.5 Ų62.545%0.45234%0.337SS..Hα-helixtrans-78.9-36.6179.1-79.6-84164.973.10114.1V82 V169 G170 W171V82-K173 HydrophobicContact CG2-CG 4.49Å; V169-K173 HydrophobicContact CG1-CG 4.5Å; V169-K173 WeakPolarHBondContact O-CB 3.29Å; V169-K173 PolarHBondContact O-N 3.14Å; G170-K173 PolarHBondContact O-N 2.9Å; W171-K173 VanDerWaalsContact C-N 3.28Å; W171-K173 PolarHBondContact O-N 3.34Å
174F81.1Confident72.5Confident79 Ų7966.6 Ų66.635%0.34637%0.366SS..Hα-helixtrans-95.5-17.5-172.7-64.5-58.6000114G170 W171 I177 G236 A239 A240G170-F174 VanDerWaalsContact O-CB 3.28Å; G170-F174 WeakPolarHBondContact O-CB 3.41Å; G170-F174 WeakPolarHBondContact O-CD2 3.41Å; G170-F174 WeakPolarHBondContact O-CG 3.34Å; G170-F174 PolarHBondContact O-N 3.36Å; W171-F174 PolarHBondContact O-N 3.42Å; F174-I177 HydrophobicContact CD1-CD1 3.97Å; F174-I177 PolarHBondContact O-N 3.02Å; F174-G236 WeakPolarHBondContact CB-O 3.39Å; F174-G236 CarbonylContact O-C 3.6Å; F174-G236 VanDerWaalsContact O-CA 3.25Å; F174-G236 WeakPolarHBondContact O-CA 3.5Å; F174-A239 HydrophobicContact CD1-CB 4.45Å; F174-A239 HydrophobicContact CG-CB 4.46Å; F174-A240 HydrophobicContact CB-CB 4.12Å
175V77.1Confident70.1Confident32 Ų3269 Ų6919%0.19439%0.385CS..SBendtrans-58.4-45.2174.31640000112.9L94 W171 I177 G178L94-V175 HydrophobicContact CD2-CG2 4.18Å; W171-V175 HydrophobicContact CE3-CG2 4.02Å; W171-V175 VanDerWaalsContact O-CB 3.23Å; W171-V175 WeakPolarHBondContact O-CB 3.35Å; W171-V175 WeakPolarHBondContact O-CG2 3.49Å; W171-V175 PolarHBondContact O-N 3.49Å; V175-I177 PolarHBondContact O-N 2.9Å; V175-G178 PolarHBondContact O-N 3.24Å
176P69.6Low67.4Low25 Ų2574.5 Ų74.516%0.16242%0.421CS..G310 helixtrans-60.9-27.8179.2-25.935.8000114.7Y90 V172 G178Y90-P176 HydrophobicContact CE1-CG 3.51Å; Y90-P176 VanDerWaalsContact OH-CG 3.31Å; Y90-P176 WeakPolarHBondContact OH-CG 3.42Å; V172-P176 WeakPolarHBondContact O-CD 3.46Å; P176-G178 PolarHBondContact O-N 2.99Å
177I63.7Low65.1Low102 Ų10277.3 Ų77.352%0.52344%0.438SS..G310 helixtrans-73.6-18.1-176.6-55178.7000111.7F174 V175F174-I177 HydrophobicContact CD1-CD1 3.97Å; F174-I177 PolarHBondContact O-N 3.02Å; V175-I177 PolarHBondContact O-N 2.9Å
178G55.8Low62.6Low19 Ų1982.3 Ų82.320%0.19647%0.469CS..G310 helixtrans-91.4-9.5-176.600000115.4V175 P176V175-G178 PolarHBondContact O-N 3.24Å; P176-G178 PolarHBondContact O-N 2.99Å
179A57.1Low60Low38 Ų3886.3 Ų86.331%0.31450%0.497SS..SBendtrans-81.9123.3-176.100000111.1H88 M181H88-A179 VanDerWaalsContact CE1-CB 3.46Å; H88-A179 WeakPolarHBondContact CE1-CB 3.44Å; H88-A179 WeakPolarHBondContact NE2-CB 3.43Å; A179-M181 PolarHBondContact O-N 3.21Å; A179-M181 VanDerWaalsContact O-N 3.15Å
180P49.5Very low57.4Low110 Ų11094.1 Ų94.171%0.71453%0.533SS*.  trans-6511817125.7-30.2000108.8N182P180-N182 PolarHBondContact O-N 3.2Å
181M48.2Very low54.8Low182 Ų18299 Ų9990%0.89757%0.566SS**  trans-62.483.6163.2-83.9-163.183.300109.2A179A179-M181 PolarHBondContact O-N 3.21Å; A179-M181 VanDerWaalsContact O-N 3.15Å
182N47.5Very low52.3Low150 Ų150105.3 Ų105.380%0.80260%0.597SS**  trans-120.967.1161.3-87.3-24.2000108.2P180P180-N182 PolarHBondContact O-N 3.2Å
183K36.5Very low49.5Very low192 Ų192111.5 Ų111.584%0.83564%0.635SS**  trans-110.3111.4150.8-123.2172.6-176.7166.70105.4A185K183-A185 PolarHBondContact O-N 2.86Å
184P41.4Very low47.3Very low119 Ų119111.2 Ų111.277%0.77364%0.644SS**  trans-56.2118.2167.2-14.326.6000106.4
185A40.1Very low45.1Very low77 Ų77113.1 Ų113.164%0.63666%0.664SS**  trans-52.2136164.900000107.4K183 V187K183-A185 PolarHBondContact O-N 2.86Å; A185-V187 PolarHBondContact O-N 3.1Å
186P37.5Very low42.9Very low120 Ų120117.9 Ų117.978%0.77969%0.693SS**  trans-57.1112.5169.4-1829.8000107.3V188P186-V188 VanDerWaalsContact C-N 3.34Å; P186-V188 PolarHBondContact O-N 2.88Å
187V42.9Very low40.9Very low134 Ų134123 Ų12381%0.81272%0.723SS**  trans-61.3102170.3179.80000105.7A185 P189A185-V187 PolarHBondContact O-N 3.1Å; V187-P189 WeakPolarHBondContact O-CD 3.35Å
188V39.7Very low39.4Very low127 Ų127123.7 Ų123.777%0.7773%0.732SS**PPolyproline II helixtrans-65.3121.2165.9179.30000106P186 M190P186-V188 VanDerWaalsContact C-N 3.34Å; P186-V188 PolarHBondContact O-N 2.88Å; V188-M190 PolarHBondContact O-N 3.08Å
189P35.9Very low38.1Very low113 Ų113127.2 Ų127.273%0.73475%0.754SS**PPolyproline II helixtrans-65.6129.2-179.5-17.830.8000110.3V187 S191V187-P189 WeakPolarHBondContact O-CD 3.35Å; P189-S191 PolarHBondContact O-N 3.11Å
190M34.2Very low36.7Very low194 Ų194133.4 Ų133.496%0.95678%0.781SS**PPolyproline II helixtrans-57.9127170.7-165.5153.3-168.800110.1V188V188-M190 PolarHBondContact O-N 3.08Å
191S33.9Very low35.6Very low114 Ų114133.4 Ų133.480%0.79778%0.784SS**  trans-129127.6164.3-155.10000109.1P189P189-S191 PolarHBondContact O-N 3.11Å
192Q34.6Very low34.6Very low175 Ų175133 Ų13382%0.81878%0.784SS**  trans-51.1156.4175.7-67153.4-58.900110.7
193V29.7Very low33.6Very low135 Ų135129.6 Ų129.682%0.81878%0.777SS**  -170.8-17763.8-1510000109.6
194P37.3Very low33.2Very low99 Ų99126 Ų12664%0.64378%0.776SS**  -104.1173.9-108.640.2-22.5000115.7
195P35.3Very low32.5Very low118 Ų118127.1 Ų127.177%0.76678%0.776SS**PPolyproline II helixtrans-86.7126.4162.332.7-26.6000111T197P195-T197 PolarHBondContact O-N 3.43Å
196V31.1Very low31.9Very low132 Ų132130.8 Ų130.880%0.878%0.784SS**PPolyproline II helixtrans-66.2120.9173.9177.30000109.2V198V196-V198 HydrophobicContact CG1-CG2 4.17Å
197T27.5Very low31.4Very low132 Ų132131.2 Ų131.281%0.8178%0.784SS**PPolyproline II helixtrans-95126.7171.5-54.20000108.5P195P195-T197 PolarHBondContact O-N 3.43Å
198V31.5Very low31.2Very low117 Ų117130.4 Ų130.471%0.70978%0.782SS**  trans-125.7108.8165.4179.70000108.7V196V196-V198 HydrophobicContact CG1-CG2 4.17Å
199S28.2Very low30.5Very low94 Ų94129.2 Ų129.266%0.65778%0.779SS**  trans59.7144.5145.2-59.60000119.3
200L27.1Very low30.1Very low167 Ų167129.1 Ų129.187%0.87478%0.781SS**  cis-145.815218.6-87.699.5000110.4
201S28.3Very low29.8Very low110 Ų110124.3 Ų124.377%0.76977%0.772SS**  trans-67.1140.5165.846.10000113.8
202L25.8Very low29.4Very low173 Ų173123.5 Ų123.591%0.90677%0.766SS**  -172.4144125.7-16259.2000111.9
203A26.4Very low29.1Very low80 Ų80123 Ų12366%0.66177%0.768SS**  trans-58.1154-176.200000115.8
204S29.1Very low29.1Very low115 Ų115120.4 Ų120.480%0.80476%0.761SS**  166.4118.7122.1-69.80000112.8
205N25.6Very low28.5Very low144 Ų144122.2 Ų122.277%0.7777%0.77SS**  trans39.1128.8133.9-84.8-5.9000123.3
206L28.2Very low28.2Very low153 Ų153121.4 Ų121.480%0.80177%0.767SS**  trans72.1107.5134.6-61.1165.5000119.1
207T27.7Very low28Very low129 Ų129123.5 Ų123.579%0.79177%0.768SS**  trans-58.5148.4143.544.30000110
208P38.7Very low28.2Very low117 Ų117125.5 Ų125.576%0.7677%0.768SS**  -151.3174.658.338-16.6000116.9
209S25.2Very low28.1Very low103 Ų103125.5 Ų125.572%0.7277%0.771SS**  trans121.6111.6150.3-61.60000116.7
210S27.1Very low28.2Very low111 Ų111126 Ų12678%0.77677%0.774SS**  73.2120.6120.8-50.60000120.8
211A26.9Very low28.5Very low93 Ų93127.8 Ų127.877%0.76978%0.775SS**  trans77.6136.3144.200000114.9
212S26.8Very low28.5Very low96 Ų96127.2 Ų127.267%0.67178%0.777SS**  cis-170.6155.922.7-27.90000110
213I28Very low28.7Very low165 Ų165124.7 Ų124.785%0.84677%0.772SS**  trans81.2107.7140.2-62.1159.4000120
214A29Very low29.6Very low81 Ų81126.2 Ų126.267%0.66978%0.775SS**  143.794.4122.900000111.2
215T24.8Very low30.5Very low136 Ų136126.5 Ų126.583%0.83477%0.774SS**  44.1128.297-5.70000113.3
216S29.5Very low31.4Very low102 Ų102131.1 Ų131.171%0.71378%0.781SS**  cis-162.5154.527.5-1580000112.8
217Q27.1Very low31.9Very low176 Ų176132 Ų13282%0.82278%0.781SS**  trans-46.2141.1176-76.7152.7-19.900117.6
218Q30.7Very low32.8Very low173 Ų173132.1 Ų132.181%0.80878%0.782SS**  trans-49.1140.8150.9-179.9165.4-67.100113.7
219P30.1Very low32.9Very low118 Ų118130.5 Ų130.577%0.76677%0.772SS**  trans-117.8108.8143.321.3-3.6000109.6K221P219-K221 PolarHBondContact O-N 2.98Å
220S29.2Very low33.8Very low103 Ų103129.6 Ų129.672%0.7278%0.779SS**  trans-57.1110.6167.343.50000110.5
221K33.7Very low34.6Very low206 Ų206126.8 Ų126.890%0.89677%0.768SS**PPolyproline II helixtrans-83.4120.4164-92.5-173.9176.8172.10109.3P219P219-K221 PolarHBondContact O-N 2.98Å
222A28.7Very low36Very low98 Ų98127.5 Ų127.581%0.8177%0.773SS**PPolyproline II helixtrans-53.3131.8-178.600000113.3
223C30.3Very low37.6Very low119 Ų119127.7 Ų127.780%0.80476%0.764SS**PPolyproline II helixtrans-69.1140.6158.2-72.40000109.5
224P45Very low39.8Very low112 Ų112120.9 Ų120.973%0.72773%0.734SS**PPolyproline II helixtrans-69.4160.9170.430.7-31.6000110.5R226P224-R226 PolarHBondContact O-N 3.39Å
225P48.1Very low42.1Very low121 Ų121121.6 Ų121.679%0.78673%0.731SS**PPolyproline II helixtrans-66.5138.5-166.228.5-33.4000110.7Q227P225-Q227 PolarHBondContact O-N 3.38Å
226R44.4Very low44.6Very low241 Ų241115.2 Ų115.291%0.90969%0.693SS**  trans-48.496171.1-166.4177.3179.8172.8-0.5109.6P224 V228P224-R226 PolarHBondContact O-N 3.39Å; R226-V228 PolarHBondContact O-N 2.95Å; R226-V228 VanDerWaalsContact O-N 3.07Å
227Q39.7Very low47Very low172 Ų172114.9 Ų114.980%0.80468%0.676SS**  trans-73.1103176.9-165.4164.4-12.800108.2P225 C229P225-Q227 PolarHBondContact O-N 3.38Å; Q227-C229 PolarHBondContact O-N 3.41Å; Q227-C229 VanDerWaalsContact O-N 3.12Å
228V45.5Very low49.8Very low132 Ų132111.4 Ų111.480%0.866%0.66SS**  trans-66.999.9166.3174.50000107R226R226-V228 PolarHBondContact O-N 2.95Å; R226-V228 VanDerWaalsContact O-N 3.07Å
229C40.7Very low52.4Low82 Ų82105.2 Ų105.255%0.55464%0.638SS**  trans-127.4102.8159.6-74.30000107.9Q227 G231Q227-C229 PolarHBondContact O-N 3.41Å; Q227-C229 VanDerWaalsContact O-N 3.12Å; C229-G231 PolarHBondContact O-N 2.7Å
230G44.9Very low55.1Low85 Ų8599.7 Ų99.788%0.87660%0.603SS**  trans-61119.7169.600000109.9
231G42.9Very low57.9Low52 Ų5299.4 Ų99.454%0.53659%0.591SS.*  trans-168.5133.317000000107.7C229 H233C229-G231 PolarHBondContact O-N 2.7Å; G231-H233 PolarHBondContact O-N 3.07Å
232A57.2Low60.5Low107 Ų10792.1 Ų92.188%0.88457%0.569SS**SBendtrans-65.217.5-177.900000114.8
233H60.5Low63.2Low101 Ų10189.5 Ų89.547%0.46855%0.545SS..SBendtrans-127.7125.7-171.9-63.595.6000110.3G231 W237G231-H233 PolarHBondContact O-N 3.07Å; H233-W237 HydrophobicContact CB-CB 4.06Å; H233-W237 VanDerWaalsContact CB-CD1 3.42Å; H233-W237 HydrophobicContact CB-CG 3.76Å; H233-W237 AromaticContact CD2-CD1 3.71Å; H233-W237 AromaticContact CD2-CD2 3.78Å; H233-W237 AromaticContact CD2-CE2 3.61Å; H233-W237 AromaticContact CD2-CG 3.86Å; H233-W237 AromaticContact CD2-NE1 3.53Å; H233-W237 AromaticContact CG-CD1 3.66Å; H233-W237 AromaticContact CG-NE1 3.76Å
234G73.7Confident66Low21 Ų2185.5 Ų85.522%0.21652%0.517CS..  trans-67.6170.9-176.700000114.8G236 W237 Q238G234-G236 VanDerWaalsContact C-N 3.27Å; G234-G236 PolarHBondContact O-N 3.33Å; G234-W237 WeakPolarHBondContact O-CB 3.38Å; G234-W237 PolarHBondContact O-N 3.46Å; G234-Q238 PolarHBondContact O-N 3.23Å
235P77.6Confident68.3Low96 Ų9683.1 Ų83.162%0.62351%0.507SS*.Hα-helixtrans-60.2-33.2-175.522.3-32.3000113.4Q238 A239P235-Q238 PolarHBondContact O-N 3.33Å; P235-A239 PolarHBondContact O-N 2.94Å
236G77.9Confident70.3Confident2 Ų283.7 Ų83.72%0.02150%0.502CS..Hα-helixtrans-63.8-39.9174.400000113.7F174 G234 Q238 A239 A240F174-G236 WeakPolarHBondContact CB-O 3.39Å; F174-G236 CarbonylContact O-C 3.6Å; F174-G236 VanDerWaalsContact O-CA 3.25Å; F174-G236 WeakPolarHBondContact O-CA 3.5Å; G234-G236 VanDerWaalsContact C-N 3.27Å; G234-G236 PolarHBondContact O-N 3.33Å; G236-Q238 PolarHBondContact O-N 3.33Å; G236-A239 PolarHBondContact O-N 3.11Å; G236-A240 PolarHBondContact O-N 2.9Å
237W79.9Confident72.5Confident95 Ų9574.2 Ų74.236%0.3647%0.468SS..Hα-helixtrans-63.5-43.2175.2179.5-86.2000111.4W171 H233 G234 A239 A240 M241W171-W237 HydrophobicContact CE3-CZ3 4.49Å; W171-W237 HydrophobicContact CH2-CE3 4.47Å; W171-W237 HydrophobicContact CH2-CH2 4.12Å; W171-W237 HydrophobicContact CH2-CZ2 4.17Å; W171-W237 HydrophobicContact CH2-CZ3 4.28Å; W171-W237 HydrophobicContact CZ3-CD2 4.15Å; W171-W237 AromaticContact CZ3-CE3 3.72Å; W171-W237 HydrophobicContact CZ3-CE3 3.72Å; W171-W237 AromaticContact CZ3-CH2 3.82Å; W171-W237 HydrophobicContact CZ3-CH2 3.82Å; W171-W237 HydrophobicContact CZ3-CZ2 4.25Å; W171-W237 AromaticContact CZ3-CZ3 3.55Å; W171-W237 HydrophobicContact CZ3-CZ3 3.55Å; H233-W237 HydrophobicContact CB-CB 4.06Å; H233-W237 VanDerWaalsContact CB-CD1 3.42Å; H233-W237 HydrophobicContact CB-CG 3.76Å; H233-W237 AromaticContact CD2-CD1 3.71Å; H233-W237 AromaticContact CD2-CD2 3.78Å; H233-W237 AromaticContact CD2-CE2 3.61Å; H233-W237 AromaticContact CD2-CG 3.86Å; H233-W237 AromaticContact CD2-NE1 3.53Å; H233-W237 AromaticContact CG-CD1 3.66Å; H233-W237 AromaticContact CG-NE1 3.76Å; G234-W237 WeakPolarHBondContact O-CB 3.38Å; G234-W237 PolarHBondContact O-N 3.46Å; W237-A239 VanDerWaalsContact C-N 3.34Å; W237-A239 PolarHBondContact O-N 2.97Å; W237-A240 PolarHBondContact O-N 3.48Å; W237-M241 HydrophobicContact CZ2-SD 4.35Å; W237-M241 PolarHBondContact NE1-SD 3.45Å; W237-M241 WeakPolarHBondContact O-CB 2.92Å; W237-M241 WeakPolarHBondContact O-CG 3.4Å; W237-M241 PolarHBondContact O-N 3.36Å
238Q85.5Confident74.9Confident104 Ų10469.5 Ų69.549%0.48645%0.451SS..Hα-helixtrans-63.6-39.6177.2-64.4-167.61.200112.1G234 P235 G236 M241 A242G234-Q238 PolarHBondContact O-N 3.23Å; P235-Q238 PolarHBondContact O-N 3.33Å; G236-Q238 PolarHBondContact O-N 3.33Å; Q238-M241 PolarHBondContact O-N 3.32Å; Q238-A242 WeakPolarHBondContact O-CB 3.45Å; Q238-A242 PolarHBondContact O-N 3.39Å
239A86.1Confident77.1Confident43 Ų4366.7 Ų66.736%0.35544%0.435SS..Hα-helixtrans-63.1-45.417600000112.2F174 P235 G236 W237 M241 A242 S243F174-A239 HydrophobicContact CD1-CB 4.45Å; F174-A239 HydrophobicContact CG-CB 4.46Å; P235-A239 PolarHBondContact O-N 2.94Å; G236-A239 PolarHBondContact O-N 3.11Å; W237-A239 VanDerWaalsContact C-N 3.34Å; W237-A239 PolarHBondContact O-N 2.97Å; A239-M241 PolarHBondContact O-N 2.83Å; A239-A242 PolarHBondContact O-N 3.36Å; A239-S243 WeakPolarHBondContact O-CB 3.18Å; A239-S243 PolarHBondContact O-N 3.38Å
240A85.8Confident79.5Confident2 Ų266 Ų662%0.01743%0.429CS..Hα-helixtrans-62.8-42176.300000112.2W171 F174 G236 W237 S243 T244W171-A240 HydrophobicContact CD2-CB 3.79Å; W171-A240 HydrophobicContact CE3-CB 3.78Å; W171-A240 HydrophobicContact CG-CB 4.37Å; W171-A240 HydrophobicContact CH2-CB 4.22Å; W171-A240 HydrophobicContact CZ2-CB 4.21Å; W171-A240 HydrophobicContact CZ3-CB 4Å; F174-A240 HydrophobicContact CB-CB 4.12Å; G236-A240 PolarHBondContact O-N 2.9Å; W237-A240 PolarHBondContact O-N 3.48Å; A240-S243 PolarHBondContact O-N 3.04Å; A240-T244 WeakPolarHBondContact O-CB 3.45Å; A240-T244 PolarHBondContact O-N 3.01Å; A240-T244 PolarHBondContact O-OG1 3.05Å
241M87.1Confident81.6Confident96 Ų9662.6 Ų62.647%0.47339%0.394SS..Hα-helixtrans-64.6-42.7175.8-73.3-141.87500112.4W171 W237 Q238 A239 T244 A245W171-M241 HydrophobicContact CH2-CG 3.84Å; W171-M241 HydrophobicContact CZ2-CG 4.29Å; W237-M241 HydrophobicContact CZ2-SD 4.35Å; W237-M241 PolarHBondContact NE1-SD 3.45Å; W237-M241 WeakPolarHBondContact O-CB 2.92Å; W237-M241 WeakPolarHBondContact O-CG 3.4Å; W237-M241 PolarHBondContact O-N 3.36Å; Q238-M241 PolarHBondContact O-N 3.32Å; A239-M241 PolarHBondContact O-N 2.83Å; M241-T244 PolarHBondContact O-N 3.46Å; M241-A245 WeakPolarHBondContact O-CB 3.47Å; M241-A245 PolarHBondContact O-N 2.99Å
242A88.9Confident83.9Confident54 Ų5465.5 Ų65.545%0.44640%0.396SS..Hα-helixtrans-63.5-43.6177.100000111.7Q238 A239 T244 A245 I246Q238-A242 WeakPolarHBondContact O-CB 3.45Å; Q238-A242 PolarHBondContact O-N 3.39Å; A239-A242 PolarHBondContact O-N 3.36Å; A242-T244 VanDerWaalsContact C-N 3.34Å; A242-T244 PolarHBondContact O-N 3.33Å; A242-A245 PolarHBondContact O-N 3.37Å; A242-I246 WeakPolarHBondContact O-CG1 3.34Å; A242-I246 PolarHBondContact O-N 3.45Å
243S86.3Confident85.5Confident43 Ų4364.3 Ų64.330%0.30138%0.378SS..Hα-helixtrans-59.9-44.5174.7177.60000111.7A239 A240 I246 M247A239-S243 WeakPolarHBondContact O-CB 3.18Å; A239-S243 PolarHBondContact O-N 3.38Å; A240-S243 PolarHBondContact O-N 3.04Å; S243-I246 PolarHBondContact O-N 2.99Å; S243-M247 PolarHBondContact O-N 3.07Å
244T89.5Confident86.9Confident35 Ų3562.5 Ų62.522%0.21537%0.368CS..Hα-helixtrans-63.1-45.3176.8-54.50000111.2V167 W171 A240 M241 A242 I246 M247 V248V167-T244 HydrophobicContact CG1-CG2 4.25Å; W171-T244 PolarHBondContact NE1-OG1 3.48Å; A240-T244 WeakPolarHBondContact O-CB 3.45Å; A240-T244 PolarHBondContact O-N 3.01Å; A240-T244 PolarHBondContact O-OG1 3.05Å; M241-T244 PolarHBondContact O-N 3.46Å; A242-T244 VanDerWaalsContact C-N 3.34Å; A242-T244 PolarHBondContact O-N 3.33Å; T244-I246 VanDerWaalsContact C-N 3.27Å; T244-I246 PolarHBondContact O-N 2.94Å; T244-M247 PolarHBondContact O-N 3.22Å; T244-V248 HydrophobicContact CG2-CG2 4.26Å; T244-V248 VanDerWaalsContact O-CG2 3.29Å; T244-V248 WeakPolarHBondContact O-CG2 3.49Å; T244-V248 PolarHBondContact O-N 2.98Å
245A91.6Very high87.6Confident62 Ų6265 Ų6551%0.51238%0.376SS..Hα-helixtrans-58.5-37.4-178.600000113M241 A242 P249M241-A245 WeakPolarHBondContact O-CB 3.47Å; M241-A245 PolarHBondContact O-N 2.99Å; A242-A245 PolarHBondContact O-N 3.37Å; A245-P249 WeakPolarHBondContact O-CD 3.49Å
246I91.2Very high88.1Confident132 Ų13263.3 Ų63.368%0.67737%0.369SS*.Hα-helixtrans-69.7-35.4176.7-64.4166.4000111.3A242 S243 T244 P249A242-I246 WeakPolarHBondContact O-CG1 3.34Å; A242-I246 PolarHBondContact O-N 3.45Å; S243-I246 PolarHBondContact O-N 2.99Å; T244-I246 VanDerWaalsContact C-N 3.27Å; T244-I246 PolarHBondContact O-N 2.94Å; I246-P249 WeakPolarHBondContact O-CD 3.45Å; I246-P249 WeakPolarHBondContact O-CG 3.2Å
247M89.6Confident88.4Confident43 Ų4368.6 Ų68.621%0.21239%0.392CS..Hα-helixtrans-82.1-22.5-179.2-75.7-16362.700114.5L163 V166 V167 S243 T244 V250 G251L163-M247 HydrophobicContact CB-CE 3.35Å; L163-M247 HydrophobicContact CD2-CE 3.63Å; L163-M247 HydrophobicContact CG-CE 3.35Å; L163-M247 VanDerWaalsContact O-CE 3.26Å; L163-M247 WeakPolarHBondContact O-CE 3.3Å; V166-M247 HydrophobicContact CG1-SD 4.47Å; V167-M247 HydrophobicContact CG2-CB 4.05Å; V167-M247 HydrophobicContact CG2-CE 3.9Å; V167-M247 HydrophobicContact CG2-CG 4.24Å; V167-M247 HydrophobicContact CG2-SD 3.38Å; V167-M247 WeakPolarHBondContact CG2-SD 3.47Å; S243-M247 PolarHBondContact O-N 3.07Å; T244-M247 PolarHBondContact O-N 3.22Å; M247-V250 PolarHBondContact O-N 3.28Å; M247-G251 PolarHBondContact O-N 3.28Å
248V90.9Very high88.6Confident72 Ų7264.3 Ų64.344%0.43638%0.377SS..Hα-helixtrans-49.9-52.3178.3165.30000113.8T244 V250 G251 L252T244-V248 HydrophobicContact CG2-CG2 4.26Å; T244-V248 VanDerWaalsContact O-CG2 3.29Å; T244-V248 WeakPolarHBondContact O-CG2 3.49Å; T244-V248 PolarHBondContact O-N 2.98Å; V248-V250 VanDerWaalsContact C-N 3.31Å; V248-V250 PolarHBondContact O-N 3.36Å; V248-G251 PolarHBondContact O-N 3.39Å; V248-L252 HydrophobicContact CG1-CD1 3.92Å; V248-L252 HydrophobicContact CG1-CG 4.24Å; V248-L252 WeakPolarHBondContact O-CB 3.49Å; V248-L252 WeakPolarHBondContact O-CG 3.36Å; V248-L252 PolarHBondContact O-N 3.49Å
249P91.4Very high88.5Confident73 Ų7363.2 Ų63.247%0.47437%0.374SS..Hα-helixtrans-62.2-39.6-17822.8-34000112.3A245 I246 L252 V253A245-P249 WeakPolarHBondContact O-CD 3.49Å; I246-P249 WeakPolarHBondContact O-CD 3.45Å; I246-P249 WeakPolarHBondContact O-CG 3.2Å; P249-L252 PolarHBondContact O-N 3.05Å; P249-V253 WeakPolarHBondContact O-CG2 3.31Å; P249-V253 PolarHBondContact O-N 3.37Å
250V91.8Very high88.4Confident69 Ų6966.9 Ų66.942%0.41838%0.384SS..Hα-helixtrans-65.7-46.7177-175.20000110L163 M247 V248 L252 V253 F254L163-V250 HydrophobicContact CD2-CB 4.28Å; L163-V250 HydrophobicContact CD2-CG1 3.59Å; M247-V250 PolarHBondContact O-N 3.28Å; V248-V250 VanDerWaalsContact C-N 3.31Å; V248-V250 PolarHBondContact O-N 3.36Å; V250-L252 VanDerWaalsContact C-N 3.34Å; V250-L252 PolarHBondContact O-N 2.77Å; V250-V253 PolarHBondContact O-N 3.42Å; V250-F254 HydrophobicContact CG1-CD2 3.9Å; V250-F254 HydrophobicContact CG1-CE2 3.73Å; V250-F254 VanDerWaalsContact O-CD2 3.27Å; V250-F254 WeakPolarHBondContact O-CD2 3.34Å; V250-F254 PolarHBondContact O-N 2.95Å; V250-F254 VanDerWaalsContact O-N 3.13Å
251G88.4Confident88.1Confident13 Ų1369.4 Ų69.413%0.13439%0.394CS..Hα-helixtrans-59.5-40.4176.700000113.1M247 V248 F254 M255M247-G251 PolarHBondContact O-N 3.28Å; V248-G251 PolarHBondContact O-N 3.39Å; G251-F254 PolarHBondContact O-N 3.02Å; G251-M255 VanDerWaalsContact O-CB 3.29Å; G251-M255 WeakPolarHBondContact O-CB 3.47Å; G251-M255 PolarHBondContact O-N 2.95Å
252L90.8Very high87.9Confident112 Ų11271.1 Ų71.159%0.58640%0.397SS*.Hα-helixtrans-64.5-40.2177.2-74.6177.3000112.4V248 P249 V250 M255 A256V248-L252 HydrophobicContact CG1-CD1 3.92Å; V248-L252 HydrophobicContact CG1-CG 4.24Å; V248-L252 WeakPolarHBondContact O-CB 3.49Å; V248-L252 WeakPolarHBondContact O-CG 3.36Å; V248-L252 PolarHBondContact O-N 3.49Å; P249-L252 PolarHBondContact O-N 3.05Å; V250-L252 VanDerWaalsContact C-N 3.34Å; V250-L252 PolarHBondContact O-N 2.77Å; L252-M255 PolarHBondContact O-N 3.39Å; L252-A256 WeakPolarHBondContact O-CB 3.47Å; L252-A256 PolarHBondContact O-N 3.29Å
253V91.9Very high87.6Confident83 Ų8377 Ų7750%0.50341%0.407SS..Hα-helixtrans-61.8-48.3175.1172.30000110.2P249 V250 M255 A256 F257P249-V253 WeakPolarHBondContact O-CG2 3.31Å; P249-V253 PolarHBondContact O-N 3.37Å; V250-V253 PolarHBondContact O-N 3.42Å; V253-M255 PolarHBondContact O-N 2.9Å; V253-A256 PolarHBondContact O-N 3.19Å; V253-F257 HydrophobicContact CG1-CD2 3.85Å; V253-F257 HydrophobicContact CG1-CE2 3.54Å; V253-F257 WeakPolarHBondContact O-CD2 3.47Å; V253-F257 PolarHBondContact O-N 3.23Å
254F89.2Confident87.2Confident62 Ų6277 Ų7727%0.27241%0.407SS..Hα-helixtrans-63-39.8176.3-81.4-72.9000112.9T159 F160 L163 V250 G251 F257 A258T159-F254 HydrophobicContact CG2-CE1 3.97Å; T159-F254 HydrophobicContact CG2-CZ 4.01Å; F160-F254 HydrophobicContact CB-CB 4.2Å; F160-F254 HydrophobicContact CD2-CB 3.92Å; L163-F254 HydrophobicContact CD2-CD2 4.26Å; L163-F254 HydrophobicContact CD2-CE2 4.33Å; V250-F254 HydrophobicContact CG1-CD2 3.9Å; V250-F254 HydrophobicContact CG1-CE2 3.73Å; V250-F254 VanDerWaalsContact O-CD2 3.27Å; V250-F254 WeakPolarHBondContact O-CD2 3.34Å; V250-F254 PolarHBondContact O-N 2.95Å; V250-F254 VanDerWaalsContact O-N 3.13Å; G251-F254 PolarHBondContact O-N 3.02Å; F254-F257 PolarHBondContact O-N 3.05Å; F254-A258 WeakPolarHBondContact O-CB 3.32Å; F254-A258 PolarHBondContact O-N 2.86Å
255M87.8Confident86.4Confident75 Ų7577.2 Ų77.237%0.36941%0.407SS..Hα-helixtrans-62.9-42.4175.6-172.571.178.100111.3F160 G251 L252 V253 F257 A258 L259F160-M255 HydrophobicContact CE1-CE 3.77Å; F160-M255 HydrophobicContact CE2-CB 4.38Å; F160-M255 HydrophobicContact CE2-CE 3.77Å; F160-M255 HydrophobicContact CZ-CE 3.21Å; F160-M255 HydrophobicContact CZ-SD 4.4Å; G251-M255 VanDerWaalsContact O-CB 3.29Å; G251-M255 WeakPolarHBondContact O-CB 3.47Å; G251-M255 PolarHBondContact O-N 2.95Å; L252-M255 PolarHBondContact O-N 3.39Å; V253-M255 PolarHBondContact O-N 2.9Å; M255-F257 VanDerWaalsContact C-N 3.35Å; M255-F257 PolarHBondContact O-N 3.4Å; M255-A258 PolarHBondContact O-N 3.44Å; M255-L259 HydrophobicContact CG-CD1 4.05Å; M255-L259 HydrophobicContact CG-CG 4.38Å; M255-L259 WeakPolarHBondContact O-CB 3.45Å; M255-L259 VanDerWaalsContact O-CG 3.31Å; M255-L259 WeakPolarHBondContact O-CG 3.37Å; M255-L259 PolarHBondContact O-N 2.98Å
256A88Confident85.7Confident59 Ų5976.9 Ų76.949%0.48840%0.398SS..Hα-helixtrans-62-43.6176.700000111.3L252 V253 L259 H260L252-A256 WeakPolarHBondContact O-CB 3.47Å; L252-A256 PolarHBondContact O-N 3.29Å; V253-A256 PolarHBondContact O-N 3.19Å; A256-L259 PolarHBondContact O-N 3.5Å; A256-H260 VanDerWaalsContact O-CB 3.28Å; A256-H260 WeakPolarHBondContact O-CB 3.42Å; A256-H260 PolarHBondContact O-N 3.41Å
257F84.7Confident85Confident113 Ų11373.2 Ų73.250%0.49639%0.388SS..Hα-helixtrans-61.4-49.5172.4-77-64.3000111.5V253 F254 M255 L259 H260 F261V253-F257 HydrophobicContact CG1-CD2 3.85Å; V253-F257 HydrophobicContact CG1-CE2 3.54Å; V253-F257 WeakPolarHBondContact O-CD2 3.47Å; V253-F257 PolarHBondContact O-N 3.23Å; F254-F257 PolarHBondContact O-N 3.05Å; M255-F257 VanDerWaalsContact C-N 3.35Å; M255-F257 PolarHBondContact O-N 3.4Å; F257-L259 VanDerWaalsContact C-N 3.32Å; F257-L259 PolarHBondContact O-N 3.39Å; F257-H260 WeakPolarHBondContact O-CB 3.27Å; F257-H260 PolarHBondContact O-N 3.01Å; F257-H260 VanDerWaalsContact O-N 3.17Å; F257-F261 HydrophobicContact CB-CD2 4.42Å; F257-F261 HydrophobicContact CB-CE2 4.27Å; F257-F261 HydrophobicContact CD1-CE2 4.39Å; F257-F261 WeakPolarHBondContact O-CD2 3.27Å; F257-F261 PolarHBondContact O-N 3.38Å
258A83.6Confident83.9Confident6 Ų672.2 Ų72.25%0.0538%0.383CS..Hα-helixtrans-57.4-43.5178.300000112F153 F254 M255 F261 Y262F153-A258 HydrophobicContact CE2-CB 4.2Å; F153-A258 WeakPolarHBondContact CE2-O 3.5Å; F254-A258 WeakPolarHBondContact O-CB 3.32Å; F254-A258 PolarHBondContact O-N 2.86Å; M255-A258 PolarHBondContact O-N 3.44Å; A258-F261 PolarHBondContact O-N 3.42Å; A258-Y262 VanDerWaalsContact O-CB 3.32Å; A258-Y262 WeakPolarHBondContact O-CB 3.36Å; A258-Y262 PolarHBondContact O-N 3.34Å
259L83.4Confident82.9Confident81 Ų8175.4 Ų75.442%0.42439%0.391SS..Hα-helixtrans-68.1-38.6176.4-73.2173.8000112.7M255 A256 F257 F261 Y262 R263M255-L259 HydrophobicContact CG-CD1 4.05Å; M255-L259 HydrophobicContact CG-CG 4.38Å; M255-L259 WeakPolarHBondContact O-CB 3.45Å; M255-L259 VanDerWaalsContact O-CG 3.31Å; M255-L259 WeakPolarHBondContact O-CG 3.37Å; M255-L259 PolarHBondContact O-N 2.98Å; A256-L259 PolarHBondContact O-N 3.5Å; F257-L259 VanDerWaalsContact C-N 3.32Å; F257-L259 PolarHBondContact O-N 3.39Å; L259-F261 VanDerWaalsContact C-N 3.33Å; L259-Y262 PolarHBondContact O-N 3.26Å; L259-R263 WeakPolarHBondContact O-CB 3.46Å; L259-R263 WeakPolarHBondContact O-CG 3.32Å; L259-R263 PolarHBondContact O-N 2.92Å
260H85.2Confident82Confident119 Ų11975 Ų7555%0.55139%0.387SS*.Hα-helixtrans-60.1-45.4173.5176.6-85.4000110.8A256 F257 S264A256-H260 VanDerWaalsContact O-CB 3.28Å; A256-H260 WeakPolarHBondContact O-CB 3.42Å; A256-H260 PolarHBondContact O-N 3.41Å; F257-H260 WeakPolarHBondContact O-CB 3.27Å; F257-H260 PolarHBondContact O-N 3.01Å; F257-H260 VanDerWaalsContact O-N 3.17Å; H260-S264 WeakPolarHBondContact O-CB 3.36Å; H260-S264 PolarHBondContact O-N 3.44Å; H260-S264 PolarHBondContact O-OG 3.37Å
261F79.4Confident81.1Confident56 Ų5675.9 Ų75.925%0.24639%0.389CS..Hα-helixtrans-68.2-41.9176.2-73.8-64.9000112.4L149 F153 F257 A258 L259 R263 S264 L265L149-F261 HydrophobicContact CD2-CD1 4.07Å; L149-F261 HydrophobicContact CD2-CE1 4.04Å; F153-F261 HydrophobicContact CB-CB 4.21Å; F153-F261 HydrophobicContact CD2-CB 3.72Å; F153-F261 HydrophobicContact CG-CB 4.39Å; F257-F261 HydrophobicContact CB-CD2 4.42Å; F257-F261 HydrophobicContact CB-CE2 4.27Å; F257-F261 HydrophobicContact CD1-CE2 4.39Å; F257-F261 WeakPolarHBondContact O-CD2 3.27Å; F257-F261 PolarHBondContact O-N 3.38Å; A258-F261 PolarHBondContact O-N 3.42Å; L259-F261 VanDerWaalsContact C-N 3.33Å; F261-R263 PolarHBondContact O-N 3.48Å; F261-S264 WeakPolarHBondContact O-CB 3.31Å; F261-S264 PolarHBondContact O-N 2.88Å; F261-S264 VanDerWaalsContact O-N 3.15Å; F261-L265 WeakPolarHBondContact O-CG 3.28Å; F261-L265 PolarHBondContact O-N 3.38Å
262Y83.3Confident80.3Confident132 Ų13280.7 Ų80.752%0.51840%0.403SS..Hα-helixtrans-58-47.9174.6176-100.4000111.2A258 L259 S264 L265 V266A258-Y262 VanDerWaalsContact O-CB 3.32Å; A258-Y262 WeakPolarHBondContact O-CB 3.36Å; A258-Y262 PolarHBondContact O-N 3.34Å; L259-Y262 PolarHBondContact O-N 3.26Å; Y262-S264 VanDerWaalsContact C-N 3.32Å; Y262-S264 PolarHBondContact O-N 2.9Å; Y262-L265 PolarHBondContact O-N 2.86Å; Y262-V266 HydrophobicContact CD1-CG2 4.26Å; Y262-V266 HydrophobicContact CD2-CG2 4.23Å; Y262-V266 HydrophobicContact CE1-CG2 3.86Å; Y262-V266 HydrophobicContact CE2-CG2 3.84Å; Y262-V266 HydrophobicContact CG-CG2 4.43Å; Y262-V266 WeakPolarHBondContact O-CB 3.18Å; Y262-V266 VanDerWaalsContact O-CG2 3.31Å; Y262-V266 WeakPolarHBondContact O-CG2 3.27Å; Y262-V266 PolarHBondContact O-N 3.03Å
263R82.3Confident79.2Confident176 Ų17680.6 Ų80.666%0.66440%0.4SS*.Hα-helixtrans-62.1-39.2174.8-76.8-166.8163.2106.70.9112.5L259 F261 L265 V266 A267L259-R263 WeakPolarHBondContact O-CB 3.46Å; L259-R263 WeakPolarHBondContact O-CG 3.32Å; L259-R263 PolarHBondContact O-N 2.92Å; F261-R263 PolarHBondContact O-N 3.48Å; R263-L265 VanDerWaalsContact C-N 3.3Å; R263-L265 PolarHBondContact O-N 3.48Å; R263-V266 PolarHBondContact O-N 3.19Å; R263-A267 WeakPolarHBondContact O-CB 3.25Å; R263-A267 PolarHBondContact O-N 2.92Å
264S77.8Confident78.4Confident44 Ų4482.3 Ų82.331%0.30840%0.4SS..Hα-helixtrans-63.4-35.9176.4-59.90000112.3H260 F261 Y262H260-S264 WeakPolarHBondContact O-CB 3.36Å; H260-S264 PolarHBondContact O-N 3.44Å; H260-S264 PolarHBondContact O-OG 3.37Å; F261-S264 WeakPolarHBondContact O-CB 3.31Å; F261-S264 PolarHBondContact O-N 2.88Å; F261-S264 VanDerWaalsContact O-N 3.15Å; Y262-S264 VanDerWaalsContact C-N 3.32Å; Y262-S264 PolarHBondContact O-N 2.9Å
265L72.8Confident77.8Confident39 Ų3983.5 Ų83.520%0.20441%0.407CS..Hα-helixtrans-73.5-42.9175.4-68.6173.3000111.9Y146 L149 F153 F261 Y262 R263 K269Y146-L265 HydrophobicContact CD1-CD2 4.33Å; L149-L265 HydrophobicContact CB-CD2 4.07Å; F153-L265 HydrophobicContact CB-CD1 4.35Å; F153-L265 HydrophobicContact CD1-CD1 4.35Å; F153-L265 HydrophobicContact CG-CD1 4.28Å; F261-L265 WeakPolarHBondContact O-CG 3.28Å; F261-L265 PolarHBondContact O-N 3.38Å; Y262-L265 PolarHBondContact O-N 2.86Å; R263-L265 VanDerWaalsContact C-N 3.3Å; R263-L265 PolarHBondContact O-N 3.48Å; L265-K269 PolarHBondContact O-N 3.35Å; L265-K269 VanDerWaalsContact O-N 3.16Å
266V76.9Confident77.4Confident55 Ų5584.4 Ų84.433%0.33341%0.41SS..Hα-helixtrans-72.2-47.8-177.2172.90000111.9Y262 R263 H268 K269 T270Y262-V266 HydrophobicContact CD1-CG2 4.26Å; Y262-V266 HydrophobicContact CD2-CG2 4.23Å; Y262-V266 HydrophobicContact CE1-CG2 3.86Å; Y262-V266 HydrophobicContact CE2-CG2 3.84Å; Y262-V266 HydrophobicContact CG-CG2 4.43Å; Y262-V266 WeakPolarHBondContact O-CB 3.18Å; Y262-V266 VanDerWaalsContact O-CG2 3.31Å; Y262-V266 WeakPolarHBondContact O-CG2 3.27Å; Y262-V266 PolarHBondContact O-N 3.03Å; R263-V266 PolarHBondContact O-N 3.19Å; V266-H268 PolarHBondContact O-N 3.36Å; V266-K269 WeakPolarHBondContact O-CB 3.24Å; V266-K269 PolarHBondContact O-N 3.5Å; V266-T270 PolarHBondContact O-N 2.73Å; V266-T270 PolarHBondContact O-OG1 3.02Å; V266-T270 VanDerWaalsContact O-OG1 3.06Å
267A74.9Confident77.1Confident56 Ų5687.5 Ų87.546%0.46342%0.418SS..Hα-helixtrans-54.3-41.4-179.600000111.4R263 T270 D271R263-A267 WeakPolarHBondContact O-CB 3.25Å; R263-A267 PolarHBondContact O-N 2.92Å; A267-T270 PolarHBondContact O-N 2.93Å; A267-D271 PolarHBondContact O-N 3.46Å
268H67.3Low77.3Confident22 Ų2288.2 Ų88.210%0.10242%0.423CS..Hα-helixtrans-73.9-37.6177.5-175.7-92.2000114.2R142 Y146 V266 T270 D271 R272R142-H268 PolarHBondContact NH2-CD2 2.93Å; R142-H268 PolarHBondContact NH2-NE2 2.99Å; Y146-H268 HydrophobicContact CE1-CB 3.7Å; Y146-H268 AromaticContact CE1-CE1 3.87Å; Y146-H268 AromaticContact CE1-CG 3.41Å; Y146-H268 VanDerWaalsContact CE1-CG 3.41Å; Y146-H268 AromaticContact CE1-ND1 3.25Å; Y146-H268 VanDerWaalsContact CE1-ND1 3.25Å; Y146-H268 WeakPolarHBondContact CE1-ND1 3.33Å; Y146-H268 AromaticContact CE2-CE1 3.16Å; Y146-H268 WeakPolarHBondContact CE2-CE1 3.43Å; Y146-H268 AromaticContact CE2-ND1 3.46Å; Y146-H268 WeakPolarHBondContact CE2-ND1 3.44Å; Y146-H268 AromaticContact CE2-NE2 3.66Å; Y146-H268 AromaticContact CZ-CD2 3.48Å; Y146-H268 VanDerWaalsContact CZ-CD2 3.48Å; Y146-H268 AromaticContact CZ-CE1 3.08Å; Y146-H268 AromaticContact CZ-CG 3.17Å; Y146-H268 AromaticContact CZ-ND1 2.96Å; Y146-H268 AromaticContact CZ-NE2 3.39Å; Y146-H268 PolarHBondContact OH-CD2 3Å; Y146-H268 PolarHBondContact OH-CE1 3.48Å; Y146-H268 PolarHBondContact OH-ND1 3.1Å; Y146-H268 PolarHBondContact OH-NE2 2.88Å; V266-H268 PolarHBondContact O-N 3.36Å; H268-T270 VanDerWaalsContact C-N 3.26Å; H268-T270 PolarHBondContact O-N 3.32Å; H268-D271 PolarHBondContact O-N 3.23Å; H268-R272 WeakPolarHBondContact CE1-CG 3.42Å; H268-R272 PolarHBondContact O-N 3.04Å
269K69.5Low77.5Confident139 Ų13993.7 Ų93.760%0.60445%0.447SS*.Hα-helixtrans-58.6-42.7171.9-88.7-102.7-169.6169.40110.4L265 V266 R272 H273L265-K269 PolarHBondContact O-N 3.35Å; L265-K269 VanDerWaalsContact O-N 3.16Å; V266-K269 WeakPolarHBondContact O-CB 3.24Å; V266-K269 PolarHBondContact O-N 3.5Å; K269-R272 PolarHBondContact O-N 3.47Å; K269-H273 PolarHBondContact O-CD2 3.03Å; K269-H273 PolarHBondContact O-N 3.35Å; K269-H273 VanDerWaalsContact O-N 3.13Å
270T72.3Confident77.6Confident63 Ų6395.4 Ų95.439%0.38746%0.456SS..Hα-helixtrans-64.9-43.6176.6-55.80000111.8V266 A267 H268 R272 H273 K274V266-T270 PolarHBondContact O-N 2.73Å; V266-T270 PolarHBondContact O-OG1 3.02Å; V266-T270 VanDerWaalsContact O-OG1 3.06Å; A267-T270 PolarHBondContact O-N 2.93Å; H268-T270 VanDerWaalsContact C-N 3.26Å; H268-T270 PolarHBondContact O-N 3.32Å; T270-R272 PolarHBondContact O-N 2.81Å; T270-H273 PolarHBondContact O-N 3.06Å; T270-K274 WeakPolarHBondContact O-CG 3.46Å; T270-K274 PolarHBondContact O-N 3.36Å
271D73.5Confident77.6Confident88 Ų8893.1 Ų93.147%0.47145%0.453SS..Hα-helixtrans-64.4-39.3177.5-75.4-16.4000112.7A267 H268 K274 Q275A267-D271 PolarHBondContact O-N 3.46Å; H268-D271 PolarHBondContact O-N 3.23Å; D271-K274 PolarHBondContact O-N 3.08Å; D271-Q275 PolarHBondContact O-N 2.98Å
272R72.1Confident78Confident115 Ų11598.4 Ų98.443%0.43447%0.472SS..Hα-helixtrans-63.1-45.6175.2-79.4-115.693.81722.7112.3H268 K269 T270 K274 Q275 E276H268-R272 WeakPolarHBondContact CE1-CG 3.42Å; H268-R272 PolarHBondContact O-N 3.04Å; K269-R272 PolarHBondContact O-N 3.47Å; T270-R272 PolarHBondContact O-N 2.81Å; R272-K274 VanDerWaalsContact C-N 3.26Å; R272-K274 PolarHBondContact O-N 3.32Å; R272-Q275 PolarHBondContact O-N 3.47Å; R272-E276 WeakPolarHBondContact O-CG 3.45Å; R272-E276 PolarHBondContact O-N 3.17Å
273H66.6Low78.2Confident109 Ų10996.3 Ų96.351%0.50547%0.469SS..Hα-helixtrans-65.8-32179.1-75-51.4000112.4K269 T270 E276 L277K269-H273 PolarHBondContact O-CD2 3.03Å; K269-H273 PolarHBondContact O-N 3.35Å; K269-H273 VanDerWaalsContact O-N 3.13Å; T270-H273 PolarHBondContact O-N 3.06Å; H273-E276 IonicContact ND1-OE2 3.35Å; H273-E276 PolarHBondContact ND1-OE2 3.35Å; H273-L277 WeakPolarHBondContact O-CB 3.37Å; H273-L277 PolarHBondContact O-N 3.4Å
274K75.1Confident78.4Confident120 Ų12093.7 Ų93.752%0.52246%0.464SS..Hα-helixtrans-65.8-45.2171.9-74.2179177.9-179.70112T270 D271 R272 E276 L277 E278T270-K274 WeakPolarHBondContact O-CG 3.46Å; T270-K274 PolarHBondContact O-N 3.36Å; D271-K274 PolarHBondContact O-N 3.08Å; R272-K274 VanDerWaalsContact C-N 3.26Å; R272-K274 PolarHBondContact O-N 3.32Å; K274-E276 VanDerWaalsContact C-N 3.35Å; K274-E276 PolarHBondContact O-N 3.29Å; K274-L277 PolarHBondContact O-N 3.41Å; K274-E278 WeakPolarHBondContact O-CG 3.26Å; K274-E278 PolarHBondContact O-N 3.15Å
275Q77.2Confident78.8Confident86 Ų8693.4 Ų93.440%0.40247%0.469SS..Hα-helixtrans-60.3-43.6175.2-79.1-170-6500112.2D271 R272 L277 E278 E279D271-Q275 PolarHBondContact O-N 2.98Å; R272-Q275 PolarHBondContact O-N 3.47Å; Q275-L277 VanDerWaalsContact C-N 3.31Å; Q275-L277 PolarHBondContact O-N 3.44Å; Q275-E278 PolarHBondContact O-N 3.45Å; Q275-E279 WeakPolarHBondContact O-CG 3.34Å; Q275-E279 PolarHBondContact O-N 3.36Å
276E80.1Confident79.5Confident94 Ų9496.7 Ų96.744%0.43948%0.483SS..Hα-helixtrans-62.4-38.6176.7-73.5172.5175.600111.8R272 H273 K274 L280R272-E276 WeakPolarHBondContact O-CG 3.45Å; R272-E276 PolarHBondContact O-N 3.17Å; H273-E276 IonicContact ND1-OE2 3.35Å; H273-E276 PolarHBondContact ND1-OE2 3.35Å; K274-E276 VanDerWaalsContact C-N 3.35Å; K274-E276 PolarHBondContact O-N 3.29Å; E276-L280 VanDerWaalsContact O-CG 3.27Å; E276-L280 WeakPolarHBondContact O-CG 3.27Å; E276-L280 PolarHBondContact O-N 3.11Å
277L82.1Confident79.8Confident125 Ų125100.6 Ų100.665%0.65450%0.501SS*.Hα-helixtrans-70.3-38.3178.3-159.4120.2000112.3H273 K274 Q275 L280 S281H273-L277 WeakPolarHBondContact O-CB 3.37Å; H273-L277 PolarHBondContact O-N 3.4Å; K274-L277 PolarHBondContact O-N 3.41Å; Q275-L277 VanDerWaalsContact C-N 3.31Å; Q275-L277 PolarHBondContact O-N 3.44Å; L277-L280 PolarHBondContact O-N 3Å; L277-S281 WeakPolarHBondContact O-CB 3.12Å; L277-S281 PolarHBondContact O-N 3.46Å
278E87.9Confident80.1Confident127 Ų127104.9 Ų104.959%0.59351%0.512SS*.Hα-helixtrans-66-42.8174.5-75.7175.7-174.100111.4K274 Q275 L280 S281 R282K274-E278 WeakPolarHBondContact O-CG 3.26Å; K274-E278 PolarHBondContact O-N 3.15Å; Q275-E278 PolarHBondContact O-N 3.45Å; E278-L280 PolarHBondContact O-N 2.92Å; E278-S281 WeakPolarHBondContact CA-OG 3.32Å; E278-S281 PolarHBondContact O-N 3.2Å; E278-S281 PolarHBondContact O-OG 3.05Å; E278-R282 WeakPolarHBondContact O-CB 3.47Å; E278-R282 PolarHBondContact O-N 2.71Å
279E88.1Confident80.6Confident121 Ų121108 Ų10857%0.56554%0.541SS*.Hα-helixtrans-61.3-43.7175.1-75.1179.5-173.500111.9Q275 R282 L283Q275-E279 WeakPolarHBondContact O-CG 3.34Å; Q275-E279 PolarHBondContact O-N 3.36Å; E279-R282 WeakPolarHBondContact O-CB 3.25Å; E279-R282 PolarHBondContact O-N 3.08Å; E279-L283 WeakPolarHBondContact O-CG 3.43Å; E279-L283 PolarHBondContact O-N 3.38Å
280L85.2Confident80.2Confident117 Ų117110.1 Ų110.161%0.61357%0.565SS**Hα-helixtrans-63.9-41.7175.2-72.4170.9000112.2E276 L277 E278 R282 L283 Q284E276-L280 VanDerWaalsContact O-CG 3.27Å; E276-L280 WeakPolarHBondContact O-CG 3.27Å; E276-L280 PolarHBondContact O-N 3.11Å; L277-L280 PolarHBondContact O-N 3Å; E278-L280 PolarHBondContact O-N 2.92Å; L280-R282 VanDerWaalsContact C-N 3.26Å; L280-R282 PolarHBondContact O-N 2.85Å; L280-L283 PolarHBondContact O-N 3.44Å; L280-Q284 PolarHBondContact O-N 2.8Å
281S85.1Confident80.6Confident71 Ų71112.5 Ų112.550%0.49757%0.574SS.*Hα-helixtrans-63-35.4176.676.10000112.1L277 E278 G285L277-S281 WeakPolarHBondContact O-CB 3.12Å; L277-S281 PolarHBondContact O-N 3.46Å; E278-S281 WeakPolarHBondContact CA-OG 3.32Å; E278-S281 PolarHBondContact O-N 3.2Å; E278-S281 PolarHBondContact O-OG 3.05Å; S281-G285 PolarHBondContact O-N 2.89Å
282R88.3Confident80.9Confident167 Ų167113.7 Ų113.763%0.6358%0.58SS**Hα-helixtrans-69.4-44.1177.7-157.4-175.185.7153.810.8111.8E278 E279 L280 Q284 G285 E286E278-R282 WeakPolarHBondContact O-CB 3.47Å; E278-R282 PolarHBondContact O-N 2.71Å; E279-R282 WeakPolarHBondContact O-CB 3.25Å; E279-R282 PolarHBondContact O-N 3.08Å; L280-R282 VanDerWaalsContact C-N 3.26Å; L280-R282 PolarHBondContact O-N 2.85Å; R282-Q284 VanDerWaalsContact C-N 3.34Å; R282-G285 PolarHBondContact O-N 3.21Å; R282-E286 IonicContact NH2-OE1 3.97Å; R282-E286 PolarHBondContact O-N 2.86Å
283L86.9Confident81.4Confident88 Ų88113.7 Ų113.746%0.46159%0.588SS.*Hα-helixtrans-64.4-38.3176.2-69.5171.8000112.1E279 L280 G285 E286 L287E279-L283 WeakPolarHBondContact O-CG 3.43Å; E279-L283 PolarHBondContact O-N 3.38Å; L280-L283 PolarHBondContact O-N 3.44Å; L283-G285 VanDerWaalsContact C-N 3.33Å; L283-E286 PolarHBondContact O-N 3.28Å; L283-L287 WeakPolarHBondContact O-CD1 3.42Å; L283-L287 PolarHBondContact O-N 3.13Å; L283-L287 VanDerWaalsContact O-N 3.08Å
284Q86Confident82.3Confident121 Ų121113.9 Ų113.957%0.56559%0.593SS**Hα-helixtrans-63.3-40.6173.6-167.9-169.3-48.600111.6L280 R282 L287 Q288L280-Q284 PolarHBondContact O-N 2.8Å; R282-Q284 VanDerWaalsContact C-N 3.34Å; Q284-L287 PolarHBondContact O-N 3.06Å; Q284-Q288 PolarHBondContact O-N 3.34Å
285G86.2Confident82.7Confident39 Ų39113.6 Ų113.640%0.40260%0.597SS.*Hα-helixtrans-63-39.3175.100000113.3S281 R282 L283 Q288 A289S281-G285 PolarHBondContact O-N 2.89Å; R282-G285 PolarHBondContact O-N 3.21Å; L283-G285 VanDerWaalsContact C-N 3.33Å; G285-Q288 PolarHBondContact O-N 3.3Å; G285-A289 WeakPolarHBondContact O-CB 3.47Å; G285-A289 PolarHBondContact O-N 2.94Å
286E88.8Confident83.1Confident108 Ų108115.4 Ų115.451%0.50561%0.61SS.*Hα-helixtrans-67-37.1175.6-73.2-179.6175.800112.4R282 L283R282-E286 IonicContact NH2-OE1 3.97Å; R282-E286 PolarHBondContact O-N 2.86Å; L283-E286 PolarHBondContact O-N 3.28Å
287L82Confident83.3Confident137 Ų137116.9 Ų116.972%0.71762%0.623SS**Hα-helixtrans-73-30175.6-98.5108.4000114L283 Q284 A289L283-L287 WeakPolarHBondContact O-CD1 3.42Å; L283-L287 PolarHBondContact O-N 3.13Å; L283-L287 VanDerWaalsContact O-N 3.08Å; Q284-L287 PolarHBondContact O-N 3.06Å; L287-A289 VanDerWaalsContact C-N 3.32Å
288Q82.6Confident83.4Confident145 Ų145116.3 Ų116.368%0.67862%0.62SS**Hα-helixtrans-80.5-13.9176.1-76-175.9-74.200113.3Q284 G285Q284-Q288 PolarHBondContact O-N 3.34Å; G285-Q288 PolarHBondContact O-N 3.3Å
289A76.6Confident83Confident88 Ų88115.4 Ų115.473%0.72762%0.622SS**THydrogen-bonded Turntrans-90-3.4178.500000113.9G285 L287G285-A289 WeakPolarHBondContact O-CB 3.47Å; G285-A289 PolarHBondContact O-N 2.94Å; L287-A289 VanDerWaalsContact C-N 3.32Å
290V60.7Low82.6Confident183 Ų183114.9 Ų114.9100%1.10963%0.628SS**  trans-106.60175175.10000109.5

Retrieved 290 of 290 residues in 122.6 ms (Link to these results)