A0A3B3V1B4_9TELE Loading...

G protein-coupled receptor 27

AlphaFold DB , UniProt , Accession A0A3B3V1B4, Species 9TELE (Poecilia latipinna, sailfin molly), Gene n/a, Length 371 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
1M46.6Very low51.4Low234 Ų234115.4 Ų115.4100%1.15365%0.645SS**  031.40-67.6177.9-177.700112.4
2A45.9Very low52.4Low76 Ų76110.8 Ų110.863%0.62863%0.633SS**  trans-103.8-4.6-178.200000114.5
3N48Very low53.4Low138 Ų138106.1 Ų106.174%0.73861%0.611SS**Hα-helixtrans-88.5-10.7-174.8-108.619.6000114.8
4T52.8Low54.3Low113 Ų113107.5 Ų107.569%0.69361%0.614SS**Hα-helixtrans-91-21.4-173.939.60000113.5G8T4-G8 PolarHBondContact O-N 3.44Å
5T53.7Low55.4Low95 Ų95109.3 Ų109.358%0.58362%0.615SS**Hα-helixtrans-83.1-41.3179.544.60000112.5F7 G8 E9T5-F7 PolarHBondContact O-N 2.97Å; T5-G8 PolarHBondContact O-N 3.02Å; T5-E9 PolarHBondContact O-N 3.02Å; T5-E9 VanDerWaalsContact O-N 3.11Å
6E49.7Very low56.4Low139 Ų139107.1 Ų107.165%0.6561%0.608SS**Hα-helixtrans-67.3-34.6176.7-68.1-168.8147.700112.6G8 S10E6-G8 VanDerWaalsContact C-N 3.34Å; E6-S10 WeakPolarHBondContact O-CB 3.3Å; E6-S10 PolarHBondContact O-N 3.14Å
7F48.3Very low57.3Low166 Ų166111 Ų11173%0.72861%0.613SS**Hα-helixtrans-69.9-32.3175.8-142.1-88.4000111.9T5 S11T5-F7 PolarHBondContact O-N 2.97Å; F7-S11 VanDerWaalsContact O-CB 3.29Å; F7-S11 WeakPolarHBondContact O-CB 3.48Å; F7-S11 PolarHBondContact O-N 2.82Å; F7-S11 PolarHBondContact O-OG 2.84Å
8G50.5Low58.3Low34 Ų34108.1 Ų108.135%0.35161%0.606SS.*Hα-helixtrans-69.4-41.8175.100000113T4 T5 E6 S11 A12T4-G8 PolarHBondContact O-N 3.44Å; T5-G8 PolarHBondContact O-N 3.02Å; E6-G8 VanDerWaalsContact C-N 3.34Å; G8-S11 WeakPolarHBondContact CA-OG 3.19Å; G8-S11 PolarHBondContact O-OG 3.02Å; G8-S11 VanDerWaalsContact O-OG 3.04Å; G8-A12 VanDerWaalsContact O-CB 3.25Å; G8-A12 WeakPolarHBondContact O-CB 3.21Å; G8-A12 PolarHBondContact O-N 2.84Å
9E53Low59.5Low149 Ų149106.4 Ų106.470%0.69660%0.602SS**Hα-helixtrans-71.1-39175.8-72.7-177.5153.800112.5T5 S13T5-E9 PolarHBondContact O-N 3.02Å; T5-E9 VanDerWaalsContact O-N 3.11Å; E9-S13 WeakPolarHBondContact O-CB 3.3Å; E9-S13 PolarHBondContact O-N 3.32Å; E9-S13 PolarHBondContact O-OG 2.95Å
10S56Low60.7Low75 Ų75105 Ų10552%0.52460%0.595SS.*Hα-helixtrans-68.4-32.9176-167.90000112.9E6 S13 L14E6-S10 WeakPolarHBondContact O-CB 3.3Å; E6-S10 PolarHBondContact O-N 3.14Å; S10-S13 WeakPolarHBondContact CA-OG 3.46Å; S10-S13 PolarHBondContact O-OG 3.36Å; S10-L14 VanDerWaalsContact O-CB 3.3Å; S10-L14 WeakPolarHBondContact O-CB 3.38Å; S10-L14 PolarHBondContact O-N 3.31Å; S10-L14 VanDerWaalsContact O-N 3.15Å
11S61.3Low61.9Low50 Ų50102.2 Ų102.235%0.3559%0.586SS.*Hα-helixtrans-78.5-38.7176.651.60000112.5F7 G8 L14 H15F7-S11 VanDerWaalsContact O-CB 3.29Å; F7-S11 WeakPolarHBondContact O-CB 3.48Å; F7-S11 PolarHBondContact O-N 2.82Å; F7-S11 PolarHBondContact O-OG 2.84Å; G8-S11 WeakPolarHBondContact CA-OG 3.19Å; G8-S11 PolarHBondContact O-OG 3.02Å; G8-S11 VanDerWaalsContact O-OG 3.04Å; S11-L14 PolarHBondContact O-N 3.13Å; S11-H15 WeakPolarHBondContact O-CB 3.28Å; S11-H15 PolarHBondContact O-CD2 3.43Å; S11-H15 VanDerWaalsContact O-CD2 3.23Å; S11-H15 PolarHBondContact O-N 3.43Å
12A63.1Low63.9Low61 Ų6193 Ų9350%0.50454%0.544SS..Hα-helixtrans-65-41.4174.800000112.1G8 S16G8-A12 VanDerWaalsContact O-CB 3.25Å; G8-A12 WeakPolarHBondContact O-CB 3.21Å; G8-A12 PolarHBondContact O-N 2.84Å; A12-S16 WeakPolarHBondContact O-CB 3.22Å; A12-S16 PolarHBondContact O-N 2.9Å
13S65.2Low66Low49 Ų4991.9 Ų91.934%0.34354%0.535SS..Hα-helixtrans-65.2-45.9174.152.20000111.5E9 S10 H15 S16 Y17E9-S13 WeakPolarHBondContact O-CB 3.3Å; E9-S13 PolarHBondContact O-N 3.32Å; E9-S13 PolarHBondContact O-OG 2.95Å; S10-S13 WeakPolarHBondContact CA-OG 3.46Å; S10-S13 PolarHBondContact O-OG 3.36Å; S13-H15 PolarHBondContact O-N 3.44Å; S13-S16 PolarHBondContact O-N 3.37Å; S13-S16 VanDerWaalsContact O-N 3.16Å; S13-Y17 WeakPolarHBondContact O-CD2 3.44Å; S13-Y17 PolarHBondContact O-N 3.48Å
14L66.7Low68.1Low126 Ų12690.1 Ų90.166%0.6653%0.529SS*.Hα-helixtrans-60.2-42177.6-156.385.6000112.6S10 S11 Y17 A18S10-L14 VanDerWaalsContact O-CB 3.3Å; S10-L14 WeakPolarHBondContact O-CB 3.38Å; S10-L14 PolarHBondContact O-N 3.31Å; S10-L14 VanDerWaalsContact O-N 3.15Å; S11-L14 PolarHBondContact O-N 3.13Å; L14-Y17 PolarHBondContact O-N 3.27Å; L14-A18 WeakPolarHBondContact O-CB 3.14Å; L14-A18 PolarHBondContact O-N 3.36Å
15H69.6Low69.9Low135 Ų13586.5 Ų86.563%0.62550%0.504SS*.Hα-helixtrans-64.3-42.2174.2-86.2-64.4000112.2S11 S13 A18 S19S11-H15 WeakPolarHBondContact O-CB 3.28Å; S11-H15 PolarHBondContact O-CD2 3.43Å; S11-H15 VanDerWaalsContact O-CD2 3.23Å; S11-H15 PolarHBondContact O-N 3.43Å; S13-H15 PolarHBondContact O-N 3.44Å; H15-A18 PolarHBondContact O-N 2.88Å; H15-S19 WeakPolarHBondContact O-CB 3.45Å; H15-S19 PolarHBondContact O-N 2.85Å; H15-S19 PolarHBondContact O-OG 2.89Å; H15-S19 VanDerWaalsContact O-OG 3.06Å
16S72.6Confident71.9Confident73 Ų7384.4 Ų84.451%0.5149%0.489SS..Hα-helixtrans-63.9-42176.2-170.30000112.3A12 S13 S19 T20A12-S16 WeakPolarHBondContact O-CB 3.22Å; A12-S16 PolarHBondContact O-N 2.9Å; S13-S16 PolarHBondContact O-N 3.37Å; S13-S16 VanDerWaalsContact O-N 3.16Å; S16-S19 PolarHBondContact O-N 3.33Å; S16-T20 WeakPolarHBondContact O-CB 3.38Å; S16-T20 WeakPolarHBondContact O-CG2 3.47Å; S16-T20 PolarHBondContact O-N 2.84Å; S16-T20 PolarHBondContact O-OG1 3.13Å
17Y71.9Confident74Confident174 Ų17480.7 Ų80.768%0.68248%0.482SS*.Hα-helixtrans-64.1-42.5174.2-81.2-69.3000112.2S13 L14 T20 A21S13-Y17 WeakPolarHBondContact O-CD2 3.44Å; S13-Y17 PolarHBondContact O-N 3.48Å; L14-Y17 PolarHBondContact O-N 3.27Å; Y17-T20 WeakPolarHBondContact CA-OG1 3.31Å; Y17-T20 PolarHBondContact O-N 3.4Å; Y17-T20 PolarHBondContact O-OG1 3.44Å; Y17-A21 VanDerWaalsContact O-CB 3.28Å; Y17-A21 WeakPolarHBondContact O-CB 3.25Å; Y17-A21 PolarHBondContact O-N 2.87Å
18A75Confident76.2Confident59 Ų5974.4 Ų74.449%0.48846%0.459SS..Hα-helixtrans-65.3-42177.200000112.3L14 H15 A21 S22L14-A18 WeakPolarHBondContact O-CB 3.14Å; L14-A18 PolarHBondContact O-N 3.36Å; H15-A18 PolarHBondContact O-N 2.88Å; A18-A21 PolarHBondContact O-N 2.9Å; A18-S22 PolarHBondContact O-N 2.83Å; A18-S22 PolarHBondContact O-OG 3.41Å
19S80.1Confident78.3Confident76 Ų7672.8 Ų72.853%0.53144%0.442SS..Hα-helixtrans-68.1-36.8177.4-63.10000113.3H15 S16 S22 A23H15-S19 WeakPolarHBondContact O-CB 3.45Å; H15-S19 PolarHBondContact O-N 2.85Å; H15-S19 PolarHBondContact O-OG 2.89Å; H15-S19 VanDerWaalsContact O-OG 3.06Å; S16-S19 PolarHBondContact O-N 3.33Å; S19-S22 PolarHBondContact O-OG 3Å; S19-S22 VanDerWaalsContact O-OG 3.09Å; S19-A23 WeakPolarHBondContact O-CB 3.5Å; S19-A23 PolarHBondContact O-N 2.89Å; S19-A23 VanDerWaalsContact O-N 3.17Å
20T84.9Confident80.4Confident77 Ų7766.8 Ų66.847%0.47242%0.42SS..Hα-helixtrans-71.6-39.6175.548.60000111.7S16 Y17 A23 V24S16-T20 WeakPolarHBondContact O-CB 3.38Å; S16-T20 WeakPolarHBondContact O-CG2 3.47Å; S16-T20 PolarHBondContact O-N 2.84Å; S16-T20 PolarHBondContact O-OG1 3.13Å; Y17-T20 WeakPolarHBondContact CA-OG1 3.31Å; Y17-T20 PolarHBondContact O-N 3.4Å; Y17-T20 PolarHBondContact O-OG1 3.44Å; T20-A23 PolarHBondContact O-N 3.31Å; T20-V24 WeakPolarHBondContact O-CG2 3.43Å; T20-V24 PolarHBondContact O-N 3.33Å
21A85.1Confident82.3Confident48 Ų4869.4 Ų69.440%0.39743%0.427SS..Hα-helixtrans-62-47.9175.500000112.3Y17 A18 A23 V24 K25Y17-A21 VanDerWaalsContact O-CB 3.28Å; Y17-A21 WeakPolarHBondContact O-CB 3.25Å; Y17-A21 PolarHBondContact O-N 2.87Å; A18-A21 PolarHBondContact O-N 2.9Å; A21-A23 VanDerWaalsContact C-N 3.34Å; A21-A23 PolarHBondContact O-N 3.38Å; A21-V24 PolarHBondContact O-N 3.19Å; A21-K25 VanDerWaalsContact O-CG 3.29Å; A21-K25 WeakPolarHBondContact O-CG 3.46Å; A21-K25 PolarHBondContact O-N 3.41Å
22S87.7Confident83.9Confident39 Ų3968.5 Ų68.527%0.27342%0.418SS..Hα-helixtrans-63.7-38177.961.50000112.3A18 S19 K25 L26A18-S22 PolarHBondContact O-N 2.83Å; A18-S22 PolarHBondContact O-OG 3.41Å; S19-S22 PolarHBondContact O-OG 3Å; S19-S22 VanDerWaalsContact O-OG 3.09Å; S22-K25 WeakPolarHBondContact O-CB 3.48Å; S22-K25 PolarHBondContact O-N 3.14Å; S22-L26 WeakPolarHBondContact O-CB 3.47Å; S22-L26 WeakPolarHBondContact O-CG 3.44Å; S22-L26 PolarHBondContact O-N 3.44Å
23A91.1Very high85.5Confident54 Ų5467.6 Ų67.645%0.44640%0.404SS..Hα-helixtrans-61.9-43.4174.400000112.5S19 T20 A21 L26 A27S19-A23 WeakPolarHBondContact O-CB 3.5Å; S19-A23 PolarHBondContact O-N 2.89Å; S19-A23 VanDerWaalsContact O-N 3.17Å; T20-A23 PolarHBondContact O-N 3.31Å; A21-A23 VanDerWaalsContact C-N 3.34Å; A21-A23 PolarHBondContact O-N 3.38Å; A23-L26 PolarHBondContact O-N 3.48Å; A23-A27 WeakPolarHBondContact O-CB 3.34Å; A23-A27 PolarHBondContact O-N 2.96Å
24V91.8Very high87Confident101 Ų10166.5 Ų66.561%0.61240%0.401SS*.Hα-helixtrans-64.3-41.4176171.30000111.2T20 A21 A27 S28T20-V24 WeakPolarHBondContact O-CG2 3.43Å; T20-V24 PolarHBondContact O-N 3.33Å; A21-V24 PolarHBondContact O-N 3.19Å; V24-A27 PolarHBondContact O-N 3.09Å; V24-S28 VanDerWaalsContact O-CB 3.32Å; V24-S28 WeakPolarHBondContact O-CB 3.01Å; V24-S28 PolarHBondContact O-N 3.07Å; V24-S28 PolarHBondContact O-OG 3.07Å
25K91.5Very high88.4Confident36 Ų3663.3 Ų63.316%0.15739%0.392CS..Hα-helixtrans-60.8-47.8175.5-73.6-177172.4-162.50112A21 S22 S28 L29 I83 E172 W327A21-K25 VanDerWaalsContact O-CG 3.29Å; A21-K25 WeakPolarHBondContact O-CG 3.46Å; A21-K25 PolarHBondContact O-N 3.41Å; S22-K25 WeakPolarHBondContact O-CB 3.48Å; S22-K25 PolarHBondContact O-N 3.14Å; K25-S28 PolarHBondContact O-N 3.09Å; K25-S28 PolarHBondContact O-OG 3.23Å; K25-L29 VanDerWaalsContact O-CB 3.3Å; K25-L29 WeakPolarHBondContact O-CB 3.29Å; K25-L29 PolarHBondContact O-N 3.43Å; K25-I83 HydrophobicContact CB-CD1 4.31Å; K25-I83 HydrophobicContact CB-CG2 4.11Å; K25-E172 VanDerWaalsContact CD-OE2 3.31Å; K25-E172 WeakPolarHBondContact CD-OE2 3.49Å; K25-E172 IonicContact NZ-OE1 2.82Å; K25-E172 PolarHBondContact NZ-OE1 3.47Å; K25-E172 IonicContact NZ-OE2 3.33Å; K25-E172 PolarHBondContact NZ-OE2 3.2Å; K25-W327 HydrophobicContact CB-CH2 4.36Å; K25-W327 HydrophobicContact CB-CZ2 3.68Å; K25-W327 HydrophobicContact CD-CH2 3.8Å; K25-W327 HydrophobicContact CD-CZ2 3.91Å; K25-W327 HydrophobicContact CG-CH2 3.9Å; K25-W327 HydrophobicContact CG-CZ2 3.47Å; K25-W327 VanDerWaalsContact CG-CZ2 3.47Å
26L94Very high89.6Confident52 Ų5256.9 Ų56.927%0.27236%0.363SS..Hα-helixtrans-62.3-45.5176.7-72.7171.9000112.3S22 A23 G30 M80 I83S22-L26 WeakPolarHBondContact O-CB 3.47Å; S22-L26 WeakPolarHBondContact O-CG 3.44Å; S22-L26 PolarHBondContact O-N 3.44Å; A23-L26 PolarHBondContact O-N 3.48Å; L26-G30 PolarHBondContact O-N 3.5Å; L26-M80 HydrophobicContact CD2-CB 4.09Å; L26-M80 HydrophobicContact CD2-CE 4.42Å; L26-M80 HydrophobicContact CD2-CG 4.47Å; L26-M80 VanDerWaalsContact CD2-O 3.28Å; L26-M80 WeakPolarHBondContact CD2-O 3.29Å; L26-I83 HydrophobicContact CD1-CG2 4.46Å; L26-I83 HydrophobicContact CD2-CB 3.9Å; L26-I83 HydrophobicContact CD2-CG2 3.92Å; L26-I83 HydrophobicContact CG-CB 4.34Å; L26-I83 HydrophobicContact CG-CG2 3.77Å
27A95.1Very high90.8Very high60 Ų6055.8 Ų55.850%0.49635%0.351SS..Hα-helixtrans-63.9-46.7179.100000111.6A23 V24 G30 L31A23-A27 WeakPolarHBondContact O-CB 3.34Å; A23-A27 PolarHBondContact O-N 2.96Å; V24-A27 PolarHBondContact O-N 3.09Å; A27-G30 PolarHBondContact O-N 3.49Å; A27-L31 WeakPolarHBondContact O-CG 3.35Å; A27-L31 PolarHBondContact O-N 3.11Å
28S94.9Very high91.9Very high35 Ų3553.7 Ų53.725%0.24535%0.351CS..Hα-helixtrans-64.9-44.7179.1570000112.5V24 K25 L31 I32 W327V24-S28 VanDerWaalsContact O-CB 3.32Å; V24-S28 WeakPolarHBondContact O-CB 3.01Å; V24-S28 PolarHBondContact O-N 3.07Å; V24-S28 PolarHBondContact O-OG 3.07Å; K25-S28 PolarHBondContact O-N 3.09Å; K25-S28 PolarHBondContact O-OG 3.23Å; S28-L31 PolarHBondContact O-N 3.28Å; S28-I32 WeakPolarHBondContact O-CG1 3.33Å; S28-I32 PolarHBondContact O-N 3.05Å; S28-W327 PolarHBondContact OG-NE1 3.48Å
29L94.5Very high92.8Very high0 Ų051.6 Ų51.60%034%0.335CS..Hα-helixtrans-66.2-38.4176.4-175.958000111.8K25 L31 I32 M33 F76 V79 M80 I83 F330K25-L29 VanDerWaalsContact O-CB 3.3Å; K25-L29 WeakPolarHBondContact O-CB 3.29Å; K25-L29 PolarHBondContact O-N 3.43Å; L29-L31 PolarHBondContact O-N 3.05Å; L29-I32 PolarHBondContact O-N 3.37Å; L29-M33 WeakPolarHBondContact O-CB 3.35Å; L29-M33 PolarHBondContact O-N 3.43Å; L29-F76 HydrophobicContact CD1-CG 4.38Å; L29-V79 HydrophobicContact CD2-CB 3.97Å; L29-V79 HydrophobicContact CD2-CG1 3.62Å; L29-M80 HydrophobicContact CB-CG 4.35Å; L29-M80 HydrophobicContact CD2-CB 4.45Å; L29-M80 HydrophobicContact CD2-CG 3.46Å; L29-M80 VanDerWaalsContact CD2-CG 3.46Å; L29-M80 HydrophobicContact CG-CG 3.8Å; L29-M80 HydrophobicContact CG-SD 4.49Å; L29-I83 HydrophobicContact CD2-CD1 4.01Å; L29-F330 HydrophobicContact CD1-CB 4.45Å; L29-F330 HydrophobicContact CD1-CD2 3.83Å; L29-F330 HydrophobicContact CD1-CE2 4.35Å; L29-F330 HydrophobicContact CD1-CG 4.29Å
30G96Very high93.6Very high22 Ų2248 Ų4823%0.22731%0.31CS..Hα-helixtrans-61.1-41173.700000112.7L26 A27 M33 G34L26-G30 PolarHBondContact O-N 3.5Å; A27-G30 PolarHBondContact O-N 3.49Å; G30-M33 PolarHBondContact O-N 3.18Å; G30-G34 PolarHBondContact O-N 3.42Å
31L95.9Very high94.1Very high131 Ų13146.2 Ų46.269%0.68630%0.302SS*.Hα-helixtrans-64.8-43.6173.6-72.5172.5000112A27 S28 L29 G34 A35A27-L31 WeakPolarHBondContact O-CG 3.35Å; A27-L31 PolarHBondContact O-N 3.11Å; S28-L31 PolarHBondContact O-N 3.28Å; L29-L31 PolarHBondContact O-N 3.05Å; L31-G34 PolarHBondContact O-N 2.88Å; L31-A35 VanDerWaalsContact O-CB 3.27Å; L31-A35 WeakPolarHBondContact O-CB 3.47Å; L31-A35 PolarHBondContact O-N 3.44Å
32I95.8Very high94.4Very high31 Ų3145.7 Ų45.716%0.15930%0.296CS..Hα-helixtrans-61-46.6176-69.1167000110.4S28 L29 A35 S36 F76 F330 A331S28-I32 WeakPolarHBondContact O-CG1 3.33Å; S28-I32 PolarHBondContact O-N 3.05Å; L29-I32 PolarHBondContact O-N 3.37Å; I32-A35 PolarHBondContact O-N 3.23Å; I32-S36 WeakPolarHBondContact O-CB 3.2Å; I32-S36 PolarHBondContact O-N 2.99Å; I32-F76 HydrophobicContact CG2-CE2 4.03Å; I32-F330 HydrophobicContact CG2-CB 4.33Å; I32-A331 HydrophobicContact CD1-CB 4.48Å
33M96.3Very high94.8Very high42 Ų4243.8 Ų43.821%0.20728%0.283CS..Hα-helixtrans-60.2-49.8178-177.2-179.966.900111.2L29 G30 S36 L37 F76 P77 M80L29-M33 WeakPolarHBondContact O-CB 3.35Å; L29-M33 PolarHBondContact O-N 3.43Å; G30-M33 PolarHBondContact O-N 3.18Å; M33-S36 PolarHBondContact O-N 3.34Å; M33-L37 HydrophobicContact CG-CD1 3.84Å; M33-L37 HydrophobicContact CG-CG 4.41Å; M33-L37 WeakPolarHBondContact O-CB 3.49Å; M33-L37 VanDerWaalsContact O-CG 3.32Å; M33-L37 WeakPolarHBondContact O-CG 3.37Å; M33-L37 PolarHBondContact O-N 2.87Å; M33-F76 HydrophobicContact CB-CB 4.43Å; M33-F76 HydrophobicContact CB-CD2 3.91Å; M33-F76 HydrophobicContact CG-CB 4.28Å; M33-F76 HydrophobicContact CG-CD2 4.16Å; M33-F76 HydrophobicContact SD-CB 4.19Å; M33-P77 HydrophobicContact SD-CG 3.97Å; M33-M80 HydrophobicContact CE-SD 3.83Å; M33-M80 HydrophobicContact SD-SD 4.16Å
34G96.3Very high95Very high26 Ų2641.5 Ų41.527%0.26826%0.263SS..Hα-helixtrans-60.6-48178.600000112.4G30 L31 S36 L37 L38G30-G34 PolarHBondContact O-N 3.42Å; L31-G34 PolarHBondContact O-N 2.88Å; G34-S36 PolarHBondContact O-N 2.87Å; G34-L37 PolarHBondContact O-N 3.21Å; G34-L38 VanDerWaalsContact O-CB 3.3Å; G34-L38 WeakPolarHBondContact O-CB 3.26Å; G34-L38 VanDerWaalsContact O-CG 3.24Å; G34-L38 WeakPolarHBondContact O-CG 3.33Å; G34-L38 PolarHBondContact O-N 3.2Å
35A95.6Very high95Very high59 Ų5942.3 Ų42.349%0.48826%0.264SS..Hα-helixtrans-62.4-42.317800000112.2L31 I32 G39L31-A35 VanDerWaalsContact O-CB 3.27Å; L31-A35 WeakPolarHBondContact O-CB 3.47Å; L31-A35 PolarHBondContact O-N 3.44Å; I32-A35 PolarHBondContact O-N 3.23Å; A35-G39 PolarHBondContact O-N 3.43Å
36S95.9Very high95.1Very high0 Ų041 Ų410%026%0.258CS..Hα-helixtrans-64.1-49.9177.6179.70000112.1I32 M33 G34 N40 S72 A333I32-S36 WeakPolarHBondContact O-CB 3.2Å; I32-S36 PolarHBondContact O-N 2.99Å; M33-S36 PolarHBondContact O-N 3.34Å; G34-S36 PolarHBondContact O-N 2.87Å; S36-N40 VanDerWaalsContact O-CB 3.29Å; S36-N40 WeakPolarHBondContact O-CB 3.45Å; S36-N40 PolarHBondContact O-N 3.18Å; S36-N40 PolarHBondContact O-ND2 3.49Å; S36-N40 PolarHBondContact OG-ND2 2.88Å; S36-S72 WeakPolarHBondContact CB-OG 3.19Å; S36-S72 PolarHBondContact OG-OG 3.37Å; S36-A333 WeakPolarHBondContact OG-CB 3.35Å; S36-A333 PolarHBondContact OG-O 3.25Å
37L96.7Very high95Very high50 Ų5038.8 Ų38.826%0.26225%0.247SC..Hα-helixtrans-63-50.5-179.4-73.1173.3000111.1M33 G34 A41 V69 A73M33-L37 HydrophobicContact CG-CD1 3.84Å; M33-L37 HydrophobicContact CG-CG 4.41Å; M33-L37 WeakPolarHBondContact O-CB 3.49Å; M33-L37 VanDerWaalsContact O-CG 3.32Å; M33-L37 WeakPolarHBondContact O-CG 3.37Å; M33-L37 PolarHBondContact O-N 2.87Å; G34-L37 PolarHBondContact O-N 3.21Å; L37-A41 WeakPolarHBondContact O-CB 3.29Å; L37-A41 PolarHBondContact O-N 3.29Å; L37-V69 HydrophobicContact CD2-CG1 4.19Å; L37-A73 HydrophobicContact CD2-CB 4.02Å
38L95.4Very high94.9Very high130 Ų13040.7 Ų40.768%0.68125%0.248SC*.Hα-helixtrans-63.1-46.1-179.9-68.6173.6000111.4G34 S42G34-L38 VanDerWaalsContact O-CB 3.3Å; G34-L38 WeakPolarHBondContact O-CB 3.26Å; G34-L38 VanDerWaalsContact O-CG 3.24Å; G34-L38 WeakPolarHBondContact O-CG 3.33Å; G34-L38 PolarHBondContact O-N 3.2Å; L38-S42 VanDerWaalsContact O-CB 3.22Å; L38-S42 WeakPolarHBondContact O-CB 3.37Å; L38-S42 PolarHBondContact O-N 3.06Å; L38-S42 PolarHBondContact O-OG 3.34Å
39G94.7Very high94.7Very high15 Ų1545.6 Ų45.616%0.15527%0.265CS..Hα-helixtrans-65.2-50.9-178.600000112.7A35 S42 L43 P337A35-G39 PolarHBondContact O-N 3.43Å; G39-S42 PolarHBondContact O-OG 2.9Å; G39-L43 WeakPolarHBondContact O-CB 3.33Å; G39-L43 PolarHBondContact O-N 3.28Å; G39-P337 WeakPolarHBondContact O-CG 3.29Å
40N96.3Very high94.4Very high0 Ų046.9 Ų46.90%027%0.272CS..Hα-helixtrans-72.9-37.2-177.4-71-67.7000111.6S36 S44 C65 V69 A333 P337S36-N40 VanDerWaalsContact O-CB 3.29Å; S36-N40 WeakPolarHBondContact O-CB 3.45Å; S36-N40 PolarHBondContact O-N 3.18Å; S36-N40 PolarHBondContact O-ND2 3.49Å; S36-N40 PolarHBondContact OG-ND2 2.88Å; N40-S44 VanDerWaalsContact O-CB 3.31Å; N40-S44 WeakPolarHBondContact O-CB 3.27Å; N40-S44 PolarHBondContact O-N 3.32Å; N40-S44 PolarHBondContact O-OG 2.9Å; N40-C65 HydrophobicContact CB-CB 4.12Å; N40-C65 PolarHBondContact OD1-SG 3.27Å; N40-C65 VanDerWaalsContact OD1-SG 3.35Å; N40-V69 HydrophobicContact CB-CG2 3.58Å; N40-A333 PolarHBondContact ND2-O 3.34Å; N40-P337 HydrophobicContact CB-CG 4.25Å; N40-P337 WeakPolarHBondContact OD1-CD 3.18Å; N40-P337 VanDerWaalsContact OD1-CG 3.23Å; N40-P337 WeakPolarHBondContact OD1-CG 3.37Å
41A95.2Very high93.9Very high39 Ų3950.2 Ų50.232%0.32229%0.292SS..Hα-helixtrans-65.4-44.7175.500000111.8L37 L43 S44 L45 V69L37-A41 WeakPolarHBondContact O-CB 3.29Å; L37-A41 PolarHBondContact O-N 3.29Å; A41-L43 PolarHBondContact O-N 3Å; A41-S44 PolarHBondContact O-N 3.42Å; A41-L45 WeakPolarHBondContact O-CB 3.31Å; A41-L45 VanDerWaalsContact O-CG 3.26Å; A41-L45 WeakPolarHBondContact O-CG 3.35Å; A41-L45 PolarHBondContact O-N 3.48Å; A41-V69 HydrophobicContact CB-CG2 4.41Å
42S92.7Very high93.3Very high37 Ų3746.4 Ų46.426%0.25928%0.276SS..Hα-helixtrans-64.4-4017855.30000112.6L38 G39 L46L38-S42 VanDerWaalsContact O-CB 3.22Å; L38-S42 WeakPolarHBondContact O-CB 3.37Å; L38-S42 PolarHBondContact O-N 3.06Å; L38-S42 PolarHBondContact O-OG 3.34Å; G39-S42 PolarHBondContact O-OG 2.9Å; S42-L46 WeakPolarHBondContact O-CB 3.35Å; S42-L46 PolarHBondContact O-N 3.06Å
43L94.4Very high92.8Very high0 Ų045.1 Ų45.10%027%0.27CS..Hα-helixtrans-64.9-46.1173.4-179.554.3000111.6G39 A41 L45 L46 L47 L61 C65 P337 F341 L347G39-L43 WeakPolarHBondContact O-CB 3.33Å; G39-L43 PolarHBondContact O-N 3.28Å; A41-L43 PolarHBondContact O-N 3Å; L43-L45 PolarHBondContact O-N 3.38Å; L43-L46 WeakPolarHBondContact O-CB 3.3Å; L43-L46 PolarHBondContact O-N 3.45Å; L43-L47 HydrophobicContact CD1-CD1 4.29Å; L43-L47 HydrophobicContact CD1-CD2 4.47Å; L43-L47 HydrophobicContact CD1-CG 4.15Å; L43-L47 HydrophobicContact CG-CD1 4.25Å; L43-L47 VanDerWaalsContact O-CG 3.31Å; L43-L47 WeakPolarHBondContact O-CG 3.49Å; L43-L47 PolarHBondContact O-N 2.96Å; L43-L61 HydrophobicContact CD2-CD1 4.48Å; L43-L61 HydrophobicContact CD2-CD2 4.19Å; L43-L61 HydrophobicContact CD2-CG 4.27Å; L43-C65 VanDerWaalsContact CD2-SG 3.56Å; L43-P337 HydrophobicContact CB-CB 4.48Å; L43-P337 HydrophobicContact CD2-CB 4.22Å; L43-P337 HydrophobicContact CD2-CG 4.46Å; L43-F341 HydrophobicContact CB-CE2 4.42Å; L43-F341 HydrophobicContact CB-CZ 4.09Å; L43-F341 HydrophobicContact CD1-CE1 4.17Å; L43-F341 HydrophobicContact CD1-CZ 4.03Å; L43-L347 HydrophobicContact CD1-CD1 4.12Å
44S95.1Very high92.4Very high5 Ų547.2 Ų47.24%0.03528%0.279CS..Hα-helixtrans-58.1-45175.9-67.60000112.3N40 A41 L46 L47 L48 C65N40-S44 VanDerWaalsContact O-CB 3.31Å; N40-S44 WeakPolarHBondContact O-CB 3.27Å; N40-S44 PolarHBondContact O-N 3.32Å; N40-S44 PolarHBondContact O-OG 2.9Å; A41-S44 PolarHBondContact O-N 3.42Å; S44-L46 VanDerWaalsContact C-N 3.33Å; S44-L46 PolarHBondContact O-N 3.26Å; S44-L47 PolarHBondContact O-N 3.04Å; S44-L48 WeakPolarHBondContact O-CB 3.43Å; S44-L48 VanDerWaalsContact O-CG 3.3Å; S44-L48 WeakPolarHBondContact O-CG 3.45Å; S44-L48 PolarHBondContact O-N 3.5Å; S44-C65 WeakPolarHBondContact OG-CB 3.32Å
45L93.4Very high92.1Very high119 Ų11951.3 Ų51.362%0.62329%0.289SS*.Hα-helixtrans-61.4-40.7176.6-72.5172.9000112.2A41 L43 L48 K49A41-L45 WeakPolarHBondContact O-CB 3.31Å; A41-L45 VanDerWaalsContact O-CG 3.26Å; A41-L45 WeakPolarHBondContact O-CG 3.35Å; A41-L45 PolarHBondContact O-N 3.48Å; L43-L45 PolarHBondContact O-N 3.38Å; L45-L48 PolarHBondContact O-N 3.36Å; L45-K49 VanDerWaalsContact O-CB 3.25Å; L45-K49 WeakPolarHBondContact O-CB 3.44Å; L45-K49 PolarHBondContact O-N 3.01Å
46L92.4Very high91.8Very high7 Ų749 Ų494%0.03727%0.27CS..Hα-helixtrans-61.7-45.8175.8179.265.7000111.5S42 L43 S44 L48 K49 D50 L53 F341 L347 R350 L351S42-L46 WeakPolarHBondContact O-CB 3.35Å; S42-L46 PolarHBondContact O-N 3.06Å; L43-L46 WeakPolarHBondContact O-CB 3.3Å; L43-L46 PolarHBondContact O-N 3.45Å; S44-L46 VanDerWaalsContact C-N 3.33Å; S44-L46 PolarHBondContact O-N 3.26Å; L46-L48 VanDerWaalsContact C-N 3.32Å; L46-L48 PolarHBondContact O-N 3.07Å; L46-K49 PolarHBondContact O-N 3.46Å; L46-D50 PolarHBondContact O-N 3.4Å; L46-D50 VanDerWaalsContact O-N 3.1Å; L46-L53 HydrophobicContact CG-CD1 4.33Å; L46-F341 HydrophobicContact CD2-CE1 4.17Å; L46-L347 HydrophobicContact CD2-CB 4.35Å; L46-L347 HydrophobicContact CD2-CD2 4.07Å; L46-R350 HydrophobicContact CD1-CB 3.86Å; L46-L351 HydrophobicContact CD2-CB 4.11Å; L46-L351 HydrophobicContact CD2-CD1 4.23Å
47L93.3Very high91.5Very high6 Ų649 Ų493%0.03127%0.27CS..Hα-helixtrans-67.1-32.2-179.4-65.7178.2000112.8L43 S44 L53 Y58 L61 L62 L347L43-L47 HydrophobicContact CD1-CD1 4.29Å; L43-L47 HydrophobicContact CD1-CD2 4.47Å; L43-L47 HydrophobicContact CD1-CG 4.15Å; L43-L47 HydrophobicContact CG-CD1 4.25Å; L43-L47 VanDerWaalsContact O-CG 3.31Å; L43-L47 WeakPolarHBondContact O-CG 3.49Å; L43-L47 PolarHBondContact O-N 2.96Å; S44-L47 PolarHBondContact O-N 3.04Å; L47-L53 HydrophobicContact CD2-CB 4.39Å; L47-L53 HydrophobicContact CD2-CD1 4.02Å; L47-Y58 HydrophobicContact CD2-CD1 3.82Å; L47-Y58 HydrophobicContact CD2-CG 4.24Å; L47-L61 HydrophobicContact CD1-CB 3.99Å; L47-L61 HydrophobicContact CD1-CD2 4.06Å; L47-L61 HydrophobicContact CD1-CG 3.95Å; L47-L62 HydrophobicContact CB-CD1 4.39Å; L47-L62 HydrophobicContact CD1-CB 4.04Å; L47-L347 HydrophobicContact CD2-CD2 4.05Å
48L92.4Very high91.4Very high101 Ų10147.2 Ų47.253%0.52926%0.26SS..Hα-helixtrans-77.5-34.1176.7-72.1171.3000113S44 L45 L46 L62S44-L48 WeakPolarHBondContact O-CB 3.43Å; S44-L48 VanDerWaalsContact O-CG 3.3Å; S44-L48 WeakPolarHBondContact O-CG 3.45Å; S44-L48 PolarHBondContact O-N 3.5Å; L45-L48 PolarHBondContact O-N 3.36Å; L46-L48 VanDerWaalsContact C-N 3.32Å; L46-L48 PolarHBondContact O-N 3.07Å; L48-L62 HydrophobicContact CD1-CD1 4.46Å; L48-L62 HydrophobicContact CD2-CD1 4.39Å; L48-L62 HydrophobicContact CD2-CD2 3.69Å; L48-L62 HydrophobicContact CG-CD1 4.07Å; L48-L62 HydrophobicContact CG-CD2 4.24Å
49K89.9Confident91.3Very high137 Ų13743.6 Ų43.660%0.59624%0.237SC*.Hα-helixtrans-82.5-36.4-175.1-173.3171.2178176.50112.6L45 L46 S51L45-K49 VanDerWaalsContact O-CB 3.25Å; L45-K49 WeakPolarHBondContact O-CB 3.44Å; L45-K49 PolarHBondContact O-N 3.01Å; L46-K49 PolarHBondContact O-N 3.46Å; K49-S51 PolarHBondContact O-N 2.95Å
50D88.3Confident91.4Very high27 Ų2742.9 Ų42.914%0.14423%0.23CC..  trans-92.2103-175.7-166.9-20.9000111.9L46 S52 L53 R350L46-D50 PolarHBondContact O-N 3.4Å; L46-D50 VanDerWaalsContact O-N 3.1Å; D50-S52 PolarHBondContact O-N 2.93Å; D50-S52 VanDerWaalsContact O-N 3.16Å; D50-S52 VanDerWaalsContact OD1-CB 3.23Å; D50-S52 WeakPolarHBondContact OD1-CB 3.4Å; D50-S52 PolarHBondContact OD1-N 3.19Å; D50-S52 PolarHBondContact OD1-OG 3.04Å; D50-S52 PolarHBondContact OD2-OG 2.9Å; D50-L53 HydrophobicContact CB-CD1 3.96Å; D50-L53 HydrophobicContact CB-CG 4.12Å; D50-L53 WeakPolarHBondContact O-CB 3.4Å; D50-L53 PolarHBondContact O-N 3.09Å; D50-R350 WeakPolarHBondContact OD2-CD 3.36Å; D50-R350 WeakPolarHBondContact OD2-CG 3.34Å; D50-R350 IonicContact OD2-NE 3.63Å
51S86.4Confident91.4Very high93 Ų9342.9 Ų42.965%0.6523%0.23SC*.G310 helixtrans-63.2-20.3178.662.70000113.9K49 L53 H54K49-S51 PolarHBondContact O-N 2.95Å; S51-L53 PolarHBondContact O-N 3.05Å; S51-H54 WeakPolarHBondContact O-CB 3.43Å; S51-H54 PolarHBondContact O-N 3.47Å
52S82.9Confident91.4Very high50 Ų5042.2 Ų42.235%0.3522%0.221SC..G310 helixtrans-70.3-20.7175.775.90000112.8D50D50-S52 PolarHBondContact O-N 2.93Å; D50-S52 VanDerWaalsContact O-N 3.16Å; D50-S52 VanDerWaalsContact OD1-CB 3.23Å; D50-S52 WeakPolarHBondContact OD1-CB 3.4Å; D50-S52 PolarHBondContact OD1-N 3.19Å; D50-S52 PolarHBondContact OD1-OG 3.04Å; D50-S52 PolarHBondContact OD2-OG 2.9Å
53L85.9Confident91.7Very high5 Ų541.2 Ų41.23%0.02621%0.213CC..G310 helixtrans-91.2-0176.5-59.8177.5000112.8L46 L47 D50 S51 K55 Y58 E346 L347L46-L53 HydrophobicContact CG-CD1 4.33Å; L47-L53 HydrophobicContact CD2-CB 4.39Å; L47-L53 HydrophobicContact CD2-CD1 4.02Å; D50-L53 HydrophobicContact CB-CD1 3.96Å; D50-L53 HydrophobicContact CB-CG 4.12Å; D50-L53 WeakPolarHBondContact O-CB 3.4Å; D50-L53 PolarHBondContact O-N 3.09Å; S51-L53 PolarHBondContact O-N 3.05Å; L53-K55 PolarHBondContact O-N 3.32Å; L53-Y58 HydrophobicContact CB-CD2 4.28Å; L53-Y58 HydrophobicContact CB-CG 4.4Å; L53-Y58 HydrophobicContact CD2-CD2 4.46Å; L53-Y58 HydrophobicContact CD2-CE1 4.38Å; L53-Y58 HydrophobicContact CD2-CE2 4.01Å; L53-Y58 WeakPolarHBondContact O-CB 3.38Å; L53-Y58 WeakPolarHBondContact O-CD2 3.26Å; L53-E346 HydrophobicContact CD2-CG 4.25Å; L53-L347 HydrophobicContact CD1-CD2 3.6Å; L53-L347 HydrophobicContact CD2-CD2 4.25Å
54H87.6Confident91.7Very high86 Ų8641.4 Ų41.440%0.39821%0.214SC..  trans-71.770.5176.4-69.7171.7000112.2S51 Y59S51-H54 WeakPolarHBondContact O-CB 3.43Å; S51-H54 PolarHBondContact O-N 3.47Å; H54-Y59 HydrophobicContact CB-CE1 4.48Å; H54-Y59 WeakPolarHBondContact CB-OH 3.44Å
55K88.6Confident91.8Very high112 Ų11241.1 Ų41.149%0.48721%0.212SC..SBendtrans-128.8153.9176.8-52.1-179.5-179.9179.20109.3L53 P57 Y58 Y59L53-K55 PolarHBondContact O-N 3.32Å; K55-P57 VanDerWaalsContact C-CD 3.45Å; K55-P57 HydrophobicContact CB-CG 4.3Å; K55-P57 VanDerWaalsContact O-N 3.16Å; K55-Y58 HydrophobicContact CB-CD2 4.01Å; K55-Y58 HydrophobicContact CD-CE2 4.49Å; K55-Y58 HydrophobicContact CG-CD2 4.5Å; K55-Y58 PolarHBondContact O-N 3.5Å; K55-Y59 PolarHBondContact O-N 2.94Å
56A89.6Confident92Very high10 Ų1039.5 Ų39.58%0.08320%0.203CC..Hα-helixtrans-42.6-49.2179.100000115.9Y58 Y59 F60 M135 C140A56-Y58 PolarHBondContact O-N 3.34Å; A56-Y59 PolarHBondContact O-N 3.46Å; A56-F60 VanDerWaalsContact O-CD2 3.25Å; A56-F60 WeakPolarHBondContact O-CD2 3.44Å; A56-F60 PolarHBondContact O-N 3.14Å; A56-M135 HydrophobicContact CB-CB 4.3Å; A56-C140 VanDerWaalsContact CB-SG 3.54Å
57P90.8Very high92.2Very high0 Ų039.5 Ų39.50%020%0.204CC..Hα-helixtrans-60.9-31.2178.221.5-32.2000113K55 L61 Y131 I284 Y288K55-P57 VanDerWaalsContact C-CD 3.45Å; K55-P57 HydrophobicContact CB-CG 4.3Å; K55-P57 VanDerWaalsContact O-N 3.16Å; P57-L61 PolarHBondContact O-N 2.89Å; P57-Y131 WeakPolarHBondContact CD-OH 3.08Å; P57-I284 HydrophobicContact CB-CG2 3.71Å; P57-I284 HydrophobicContact CG-CD1 4.26Å; P57-I284 HydrophobicContact CG-CG2 4.26Å; P57-Y288 HydrophobicContact CB-CE2 4.02Å; P57-Y288 PolarHBondContact O-OH 2.81Å
58Y93.3Very high92.4Very high13 Ų1339.5 Ų39.55%0.05120%0.204CC..Hα-helixtrans-82.8-23.1-177.3-64.6-66.2000112.6L47 L53 K55 A56 L61 L62 I284 N344 L347L47-Y58 HydrophobicContact CD2-CD1 3.82Å; L47-Y58 HydrophobicContact CD2-CG 4.24Å; L53-Y58 HydrophobicContact CB-CD2 4.28Å; L53-Y58 HydrophobicContact CB-CG 4.4Å; L53-Y58 HydrophobicContact CD2-CD2 4.46Å; L53-Y58 HydrophobicContact CD2-CE1 4.38Å; L53-Y58 HydrophobicContact CD2-CE2 4.01Å; L53-Y58 WeakPolarHBondContact O-CB 3.38Å; L53-Y58 WeakPolarHBondContact O-CD2 3.26Å; K55-Y58 HydrophobicContact CB-CD2 4.01Å; K55-Y58 HydrophobicContact CD-CE2 4.49Å; K55-Y58 HydrophobicContact CG-CD2 4.5Å; K55-Y58 PolarHBondContact O-N 3.5Å; A56-Y58 PolarHBondContact O-N 3.34Å; Y58-L61 HydrophobicContact CD1-CD2 4.32Å; Y58-L61 WeakPolarHBondContact O-CB 3.03Å; Y58-L61 PolarHBondContact O-N 3.17Å; Y58-L62 WeakPolarHBondContact O-CB 3.18Å; Y58-L62 PolarHBondContact O-N 2.85Å; Y58-I284 HydrophobicContact CE2-CD1 4.4Å; Y58-N344 PolarHBondContact OH-ND2 3.03Å; Y58-L347 HydrophobicContact CE1-CD2 4.19Å
59Y95.1Very high92.6Very high53 Ų5336.5 Ų36.521%0.20819%0.19CC..Hα-helixtrans-66.2-41171-62.9-45.4000112.5H54 K55 A56 L61 L62 D63 L137 C140H54-Y59 HydrophobicContact CB-CE1 4.48Å; H54-Y59 WeakPolarHBondContact CB-OH 3.44Å; K55-Y59 PolarHBondContact O-N 2.94Å; A56-Y59 PolarHBondContact O-N 3.46Å; Y59-L61 VanDerWaalsContact C-N 3.3Å; Y59-L61 PolarHBondContact O-N 2.92Å; Y59-L62 PolarHBondContact O-N 2.92Å; Y59-D63 PolarHBondContact O-N 2.82Å; Y59-L137 HydrophobicContact CD2-CD1 4.05Å; Y59-L137 HydrophobicContact CE1-CD1 4.2Å; Y59-L137 HydrophobicContact CE2-CD1 3.64Å; Y59-C140 HydrophobicContact CD2-CB 4.18Å
60F96.1Very high92.9Very high1 Ų133.9 Ų33.90%0.00418%0.182CC..Hα-helixtrans-67.1-33.2173.2-58.6-54000112.3A56 L62 L64 L113 V117 T120 C140 V143 I144A56-F60 VanDerWaalsContact O-CD2 3.25Å; A56-F60 WeakPolarHBondContact O-CD2 3.44Å; A56-F60 PolarHBondContact O-N 3.14Å; F60-L62 VanDerWaalsContact C-N 3.34Å; F60-L64 WeakPolarHBondContact O-CB 3.37Å; F60-L64 PolarHBondContact O-N 3.39Å; F60-L113 HydrophobicContact CB-CD1 4.36Å; F60-L113 HydrophobicContact CD1-CD1 3.97Å; F60-V117 HydrophobicContact CB-CG2 3.61Å; F60-V117 HydrophobicContact CD2-CG2 4.2Å; F60-V117 HydrophobicContact CG-CG2 3.92Å; F60-T120 HydrophobicContact CE2-CG2 3.95Å; F60-C140 HydrophobicContact CE1-CB 4.44Å; F60-C140 HydrophobicContact CZ-CB 4.25Å; F60-V143 HydrophobicContact CE1-CB 4.06Å; F60-V143 HydrophobicContact CE1-CG1 3.74Å; F60-V143 HydrophobicContact CZ-CB 4.34Å; F60-V143 HydrophobicContact CZ-CG1 4.13Å; F60-I144 HydrophobicContact CD1-CD1 4.32Å; F60-I144 HydrophobicContact CD1-CG1 4.02Å; F60-I144 HydrophobicContact CE1-CG1 4.1Å
61L95.6Very high93.3Very high0 Ų033.6 Ų33.60%018%0.179CC..Hα-helixtrans-66.1-41174.5-168.755.6000111.1L43 L47 P57 Y58 Y59 L64 C65 M287 Y288 I291 L347L43-L61 HydrophobicContact CD2-CD1 4.48Å; L43-L61 HydrophobicContact CD2-CD2 4.19Å; L43-L61 HydrophobicContact CD2-CG 4.27Å; L47-L61 HydrophobicContact CD1-CB 3.99Å; L47-L61 HydrophobicContact CD1-CD2 4.06Å; L47-L61 HydrophobicContact CD1-CG 3.95Å; P57-L61 PolarHBondContact O-N 2.89Å; Y58-L61 HydrophobicContact CD1-CD2 4.32Å; Y58-L61 WeakPolarHBondContact O-CB 3.03Å; Y58-L61 PolarHBondContact O-N 3.17Å; Y59-L61 VanDerWaalsContact C-N 3.3Å; Y59-L61 PolarHBondContact O-N 2.92Å; L61-L64 PolarHBondContact O-N 3.17Å; L61-C65 PolarHBondContact O-N 3.21Å; L61-C65 PolarHBondContact O-SG 2.95Å; L61-C65 VanDerWaalsContact O-SG 3.36Å; L61-M287 HydrophobicContact CD2-CE 4.13Å; L61-Y288 WeakPolarHBondContact CA-OH 3.35Å; L61-Y288 VanDerWaalsContact CB-OH 3.27Å; L61-Y288 WeakPolarHBondContact CB-OH 3.38Å; L61-Y288 HydrophobicContact CD1-CE1 4.46Å; L61-Y288 PolarHBondContact N-OH 2.68Å; L61-Y288 VanDerWaalsContact N-OH 3.1Å; L61-I291 HydrophobicContact CD1-CD1 4.27Å; L61-L347 HydrophobicContact CD2-CD1 4.42Å
62L96.3Very high93.7Very high24 Ų2429.2 Ų29.213%0.12615%0.148CC..Hα-helixtrans-63-47.8177.6177.864.6000111.3L47 L48 Y58 Y59 F60 L64 C65 L66L47-L62 HydrophobicContact CB-CD1 4.39Å; L47-L62 HydrophobicContact CD1-CB 4.04Å; L48-L62 HydrophobicContact CD1-CD1 4.46Å; L48-L62 HydrophobicContact CD2-CD1 4.39Å; L48-L62 HydrophobicContact CD2-CD2 3.69Å; L48-L62 HydrophobicContact CG-CD1 4.07Å; L48-L62 HydrophobicContact CG-CD2 4.24Å; Y58-L62 WeakPolarHBondContact O-CB 3.18Å; Y58-L62 PolarHBondContact O-N 2.85Å; Y59-L62 PolarHBondContact O-N 2.92Å; F60-L62 VanDerWaalsContact C-N 3.34Å; L62-L64 VanDerWaalsContact C-N 3.33Å; L62-L64 PolarHBondContact O-N 3.07Å; L62-C65 PolarHBondContact O-N 2.98Å; L62-L66 HydrophobicContact CD1-CD1 4.14Å; L62-L66 HydrophobicContact CD1-CG 4.16Å; L62-L66 HydrophobicContact CG-CD1 3.99Å; L62-L66 HydrophobicContact CG-CG 4.4Å; L62-L66 WeakPolarHBondContact O-CB 3.43Å; L62-L66 VanDerWaalsContact O-CG 3.28Å; L62-L66 WeakPolarHBondContact O-CG 3.37Å; L62-L66 PolarHBondContact O-N 2.96Å
63D97.3Very high94.3Very high17 Ų1729.2 Ų29.29%0.09115%0.151CC..Hα-helixtrans-58-45.4175.8-175.759.3000111.4Y59 C65 L66 A67 H109 L113 I144 W148Y59-D63 PolarHBondContact O-N 2.82Å; D63-C65 PolarHBondContact O-N 3.4Å; D63-L66 PolarHBondContact O-N 3.48Å; D63-A67 WeakPolarHBondContact O-CB 3.44Å; D63-A67 PolarHBondContact O-N 2.81Å; D63-H109 IonicContact OD1-CE1 3.91Å; D63-H109 IonicContact OD2-CE1 3.13Å; D63-H109 PolarHBondContact OD2-CE1 2.84Å; D63-H109 IonicContact OD2-NE2 3.25Å; D63-H109 PolarHBondContact OD2-NE2 2.96Å; D63-L113 HydrophobicContact CB-CD2 4.37Å; D63-L113 WeakPolarHBondContact OD2-CD2 3.4Å; D63-I144 HydrophobicContact CB-CD1 4.08Å; D63-I144 HydrophobicContact CB-CG1 4.3Å; D63-I144 HydrophobicContact CB-CG2 4.5Å; D63-I144 WeakPolarHBondContact OD1-CG2 3.37Å; D63-W148 PolarHBondContact OD1-NE1 3.43Å; D63-W148 VanDerWaalsContact OD1-NE1 3.14Å
64L96.2Very high94.7Very high3 Ų331.1 Ų31.12%0.01616%0.163CC..Hα-helixtrans-57.6-47.2175.6-175.963000112.2F60 L61 L62 A67 D68 V110 L113 I291 N336F60-L64 WeakPolarHBondContact O-CB 3.37Å; F60-L64 PolarHBondContact O-N 3.39Å; L61-L64 PolarHBondContact O-N 3.17Å; L62-L64 VanDerWaalsContact C-N 3.33Å; L62-L64 PolarHBondContact O-N 3.07Å; L64-A67 PolarHBondContact O-N 3.38Å; L64-D68 PolarHBondContact O-N 3.49Å; L64-V110 HydrophobicContact CD1-CB 4.24Å; L64-V110 HydrophobicContact CD1-CG2 3.54Å; L64-L113 HydrophobicContact CB-CD2 3.76Å; L64-L113 HydrophobicContact CD1-CD2 4.15Å; L64-I291 HydrophobicContact CD2-CG2 4.13Å; L64-N336 HydrophobicContact CD2-CB 4.36Å; L64-N336 WeakPolarHBondContact CD2-ND2 3.48Å; L64-N336 WeakPolarHBondContact CG-ND2 3.41Å
65C96.8Very high95Very high0 Ų027.1 Ų27.10%015%0.145CC..Hα-helixtrans-67.5-39178.5-71.90000112.7N40 L43 S44 L61 L62 D63 D68 V69N40-C65 HydrophobicContact CB-CB 4.12Å; N40-C65 PolarHBondContact OD1-SG 3.27Å; N40-C65 VanDerWaalsContact OD1-SG 3.35Å; L43-C65 VanDerWaalsContact CD2-SG 3.56Å; S44-C65 WeakPolarHBondContact OG-CB 3.32Å; L61-C65 PolarHBondContact O-N 3.21Å; L61-C65 PolarHBondContact O-SG 2.95Å; L61-C65 VanDerWaalsContact O-SG 3.36Å; L62-C65 PolarHBondContact O-N 2.98Å; D63-C65 PolarHBondContact O-N 3.4Å; C65-D68 PolarHBondContact O-N 3.33Å; C65-V69 WeakPolarHBondContact O-CG2 3.46Å; C65-V69 PolarHBondContact O-N 3.44Å
66L96.9Very high95.3Very high85 Ų8521.9 Ų21.945%0.44512%0.122SC..Hα-helixtrans-65.5-41.7176.8-71.2174.5000111.5L62 D63 V69 L70L62-L66 HydrophobicContact CD1-CD1 4.14Å; L62-L66 HydrophobicContact CD1-CG 4.16Å; L62-L66 HydrophobicContact CG-CD1 3.99Å; L62-L66 HydrophobicContact CG-CG 4.4Å; L62-L66 WeakPolarHBondContact O-CB 3.43Å; L62-L66 VanDerWaalsContact O-CG 3.28Å; L62-L66 WeakPolarHBondContact O-CG 3.37Å; L62-L66 PolarHBondContact O-N 2.96Å; D63-L66 PolarHBondContact O-N 3.48Å; L66-V69 PolarHBondContact O-N 2.88Å; L66-L70 WeakPolarHBondContact O-CB 3.49Å; L66-L70 PolarHBondContact O-N 3.44Å
67A97.1Very high95.5Very high6 Ų624 Ų245%0.0513%0.134CC..Hα-helixtrans-62.1-42.1174.600000111.8D63 L64 L70 R71 F106D63-A67 WeakPolarHBondContact O-CB 3.44Å; D63-A67 PolarHBondContact O-N 2.81Å; L64-A67 PolarHBondContact O-N 3.38Å; A67-L70 PolarHBondContact O-N 3.05Å; A67-R71 WeakPolarHBondContact O-CB 3.4Å; A67-R71 PolarHBondContact O-N 3.1Å; A67-F106 HydrophobicContact CB-CD1 4.28Å
68D96.6Very high95.6Very high7 Ų727 Ų274%0.03715%0.148CC..Hα-helixtrans-68.9-37.2176.3-83.3-40.2000113.4L64 C65 L70 R71 S72 N336L64-D68 PolarHBondContact O-N 3.49Å; C65-D68 PolarHBondContact O-N 3.33Å; D68-L70 VanDerWaalsContact C-N 3.34Å; D68-R71 IonicContact OD1-CZ 3.57Å; D68-R71 IonicContact OD1-NE 3.47Å; D68-R71 PolarHBondContact OD1-NE 3.04Å; D68-R71 IonicContact OD1-NH2 2.77Å; D68-R71 PolarHBondContact OD1-NH2 2.99Å; D68-S72 VanDerWaalsContact O-CB 3.23Å; D68-S72 WeakPolarHBondContact O-CB 3.29Å; D68-S72 PolarHBondContact O-N 2.91Å; D68-S72 PolarHBondContact O-OG 2.96Å; D68-N336 PolarHBondContact OD2-ND2 3.43Å
69V97.3Very high95.6Very high37 Ų3726.5 Ų26.522%0.22415%0.146CC..Hα-helixtrans-59.7-48.4171.2167.30000109.5L37 N40 A41 C65 L66 S72 A73L37-V69 HydrophobicContact CD2-CG1 4.19Å; N40-V69 HydrophobicContact CB-CG2 3.58Å; A41-V69 HydrophobicContact CB-CG2 4.41Å; C65-V69 WeakPolarHBondContact O-CG2 3.46Å; C65-V69 PolarHBondContact O-N 3.44Å; L66-V69 PolarHBondContact O-N 2.88Å; V69-S72 PolarHBondContact O-N 3.36Å; V69-A73 WeakPolarHBondContact O-CB 3.41Å; V69-A73 PolarHBondContact O-N 3.45Å
70L96.4Very high95.5Very high82 Ų8226.1 Ų26.143%0.42915%0.147SC..Hα-helixtrans-63.6-44.9-178.8-17359.4000111.5L66 A67 D68 S72 A73 V74 F106L66-L70 WeakPolarHBondContact O-CB 3.49Å; L66-L70 PolarHBondContact O-N 3.44Å; A67-L70 PolarHBondContact O-N 3.05Å; D68-L70 VanDerWaalsContact C-N 3.34Å; L70-S72 PolarHBondContact O-N 3.39Å; L70-A73 PolarHBondContact O-N 3.15Å; L70-V74 HydrophobicContact CD1-CG2 3.84Å; L70-V74 WeakPolarHBondContact O-CB 3.29Å; L70-V74 WeakPolarHBondContact O-CG2 3.37Å; L70-V74 PolarHBondContact O-N 2.94Å; L70-F106 HydrophobicContact CB-CE1 4.16Å; L70-F106 HydrophobicContact CB-CZ 4Å; L70-F106 HydrophobicContact CD2-CE1 3.81Å; L70-F106 HydrophobicContact CD2-CZ 3.51Å; L70-F106 HydrophobicContact CG-CE1 4.08Å; L70-F106 HydrophobicContact CG-CE2 4.44Å; L70-F106 HydrophobicContact CG-CZ 3.54Å
71R95.6Very high95.3Very high22 Ų2227.3 Ų27.38%0.08316%0.157CC..Hα-helixtrans-60.9-45.6175.2-176.1175.758.897.4-6.3112.1A67 D68 C75 F76 F106A67-R71 WeakPolarHBondContact O-CB 3.4Å; A67-R71 PolarHBondContact O-N 3.1Å; D68-R71 IonicContact OD1-CZ 3.57Å; D68-R71 IonicContact OD1-NE 3.47Å; D68-R71 PolarHBondContact OD1-NE 3.04Å; D68-R71 IonicContact OD1-NH2 2.77Å; D68-R71 PolarHBondContact OD1-NH2 2.99Å; R71-C75 HydrophobicContact CG-CB 4.33Å; R71-C75 WeakPolarHBondContact O-CA 3.45Å; R71-C75 VanDerWaalsContact O-CB 3.23Å; R71-C75 WeakPolarHBondContact O-CB 3.36Å; R71-C75 PolarHBondContact O-N 3.16Å; R71-F76 VanDerWaalsContact NH1-CZ 3.3Å; R71-F106 HydrophobicContact CB-CB 4.23Å; R71-F106 HydrophobicContact CB-CD1 4.41Å; R71-F106 HydrophobicContact CB-CD2 3.63Å; R71-F106 HydrophobicContact CB-CE2 4.12Å; R71-F106 HydrophobicContact CB-CG 3.85Å; R71-F106 HydrophobicContact CG-CB 4.22Å; R71-F106 HydrophobicContact CG-CD2 3.84Å; R71-F106 HydrophobicContact CG-CG 4.21Å
72S95.9Very high95.1Very high0 Ų027.3 Ų27.30%016%0.157CC..Hα-helixtrans-70-35.9-178.2-530000112S36 D68 V69 L70 F76 P77S36-S72 WeakPolarHBondContact CB-OG 3.19Å; S36-S72 PolarHBondContact OG-OG 3.37Å; D68-S72 VanDerWaalsContact O-CB 3.23Å; D68-S72 WeakPolarHBondContact O-CB 3.29Å; D68-S72 PolarHBondContact O-N 2.91Å; D68-S72 PolarHBondContact O-OG 2.96Å; V69-S72 PolarHBondContact O-N 3.36Å; L70-S72 PolarHBondContact O-N 3.39Å; S72-F76 WeakPolarHBondContact O-CB 3.42Å; S72-P77 WeakPolarHBondContact O-CD 3.42Å
73A95.7Very high94.8Very high50 Ų5026.4 Ų26.441%0.41315%0.152SC..Hα-helixtrans-75.7-31.6179.400000112.8L37 V69 L70 P77L37-A73 HydrophobicContact CD2-CB 4.02Å; V69-A73 WeakPolarHBondContact O-CB 3.41Å; V69-A73 PolarHBondContact O-N 3.45Å; L70-A73 PolarHBondContact O-N 3.15Å; A73-P77 WeakPolarHBondContact O-CG 3.43Å
74V93.9Very high94.3Very high45 Ų4528.3 Ų28.327%0.27318%0.176SC..Hα-helixtrans-97.9-54.1-176.6-179.50000111.4L70 F78 L102L70-V74 HydrophobicContact CD1-CG2 3.84Å; L70-V74 WeakPolarHBondContact O-CB 3.29Å; L70-V74 WeakPolarHBondContact O-CG2 3.37Å; L70-V74 PolarHBondContact O-N 2.94Å; V74-F78 HydrophobicContact CG1-CE2 4.44Å; V74-F78 WeakPolarHBondContact O-CD2 3.3Å; V74-L102 HydrophobicContact CG1-CD1 3.81Å
75C93.6Very high93.9Very high3 Ų330.3 Ų30.32%0.0219%0.193CC..Hα-helixtrans-78.9-42.2-168.4-54.90000112.6R71 F78 V79R71-C75 HydrophobicContact CG-CB 4.33Å; R71-C75 WeakPolarHBondContact O-CA 3.45Å; R71-C75 VanDerWaalsContact O-CB 3.23Å; R71-C75 WeakPolarHBondContact O-CB 3.36Å; R71-C75 PolarHBondContact O-N 3.16Å; C75-F78 PolarHBondContact O-N 3.07Å; C75-V79 PolarHBondContact O-N 3.42Å
76F94.8Very high93.3Very high2 Ų233 Ų331%0.00922%0.221CC..Hα-helixtrans-65.3-39.1-174.7-62.6-8.4000114.1L29 I32 M33 R71 S72 F78 V79 M80 F330 A333L29-F76 HydrophobicContact CD1-CG 4.38Å; I32-F76 HydrophobicContact CG2-CE2 4.03Å; M33-F76 HydrophobicContact CB-CB 4.43Å; M33-F76 HydrophobicContact CB-CD2 3.91Å; M33-F76 HydrophobicContact CG-CB 4.28Å; M33-F76 HydrophobicContact CG-CD2 4.16Å; M33-F76 HydrophobicContact SD-CB 4.19Å; R71-F76 VanDerWaalsContact NH1-CZ 3.3Å; S72-F76 WeakPolarHBondContact O-CB 3.42Å; F76-F78 VanDerWaalsContact C-N 3.28Å; F76-F78 PolarHBondContact O-N 3.11Å; F76-V79 PolarHBondContact O-N 3.01Å; F76-M80 WeakPolarHBondContact O-CG 3.48Å; F76-M80 PolarHBondContact O-N 3.42Å; F76-F330 HydrophobicContact CD1-CD1 4.25Å; F76-F330 HydrophobicContact CE1-CB 4.25Å; F76-F330 AromaticContact CE1-CD1 3.54Å; F76-F330 HydrophobicContact CE1-CD1 3.54Å; F76-F330 HydrophobicContact CE1-CE1 4.14Å; F76-F330 HydrophobicContact CE1-CG 4.07Å; F76-F330 HydrophobicContact CZ-CB 4.04Å; F76-F330 HydrophobicContact CZ-CD1 4.16Å; F76-F330 HydrophobicContact CZ-CG 4.37Å; F76-A333 HydrophobicContact CE2-CB 4.04Å; F76-A333 HydrophobicContact CZ-CB 3.92Å
77P94.6Very high92.7Very high53 Ų5330.6 Ų30.634%0.34421%0.211SC..Hα-helixtrans-59.4-36.5174.5-28.937.7000113.7M33 S72 A73 M80 A81M33-P77 HydrophobicContact SD-CG 3.97Å; S72-P77 WeakPolarHBondContact O-CD 3.42Å; A73-P77 WeakPolarHBondContact O-CG 3.43Å; P77-M80 PolarHBondContact O-N 3.18Å; P77-A81 WeakPolarHBondContact O-CB 3.46Å; P77-A81 PolarHBondContact O-N 3.01Å
78F93.4Very high92.2Very high63 Ų6335.3 Ų35.328%0.27624%0.235SC..Hα-helixtrans-68-38.1176-76.3-69000112.4V74 C75 F76 A81 S82 W89 Y91 V99V74-F78 HydrophobicContact CG1-CE2 4.44Å; V74-F78 WeakPolarHBondContact O-CD2 3.3Å; C75-F78 PolarHBondContact O-N 3.07Å; F76-F78 VanDerWaalsContact C-N 3.28Å; F76-F78 PolarHBondContact O-N 3.11Å; F78-A81 PolarHBondContact O-N 3.28Å; F78-S82 PolarHBondContact O-N 3.43Å; F78-W89 HydrophobicContact CB-CH2 3.79Å; F78-W89 HydrophobicContact CB-CZ3 4.13Å; F78-W89 AromaticContact CD1-CH2 3.94Å; F78-W89 HydrophobicContact CD1-CH2 3.94Å; F78-W89 HydrophobicContact CD1-CZ2 4.37Å; F78-W89 HydrophobicContact CG-CH2 4.07Å; F78-Y91 HydrophobicContact CD1-CD2 4.08Å; F78-Y91 HydrophobicContact CD1-CE2 4.18Å; F78-Y91 HydrophobicContact CE1-CD2 4.4Å; F78-Y91 HydrophobicContact CE1-CG 4.49Å; F78-V99 HydrophobicContact CB-CG1 4.26Å; F78-V99 HydrophobicContact CB-CG2 4.25Å; F78-V99 HydrophobicContact CD1-CG2 4.37Å; F78-V99 HydrophobicContact CD2-CG2 3.5Å; F78-V99 HydrophobicContact CE2-CG2 3.91Å; F78-V99 HydrophobicContact CG-CG2 3.8Å; F78-V99 HydrophobicContact CZ-CG2 4.49Å
79V92.2Very high91.8Very high4 Ų436.8 Ų36.82%0.02424%0.24CC..Hα-helixtrans-64.7-45.1173.6179.30000110.3L29 C75 F76 A81 S82 I83 Q173 F330L29-V79 HydrophobicContact CD2-CB 3.97Å; L29-V79 HydrophobicContact CD2-CG1 3.62Å; C75-V79 PolarHBondContact O-N 3.42Å; F76-V79 PolarHBondContact O-N 3.01Å; V79-A81 VanDerWaalsContact C-N 3.3Å; V79-A81 PolarHBondContact O-N 2.93Å; V79-S82 PolarHBondContact O-N 3.25Å; V79-S82 VanDerWaalsContact O-N 3.16Å; V79-I83 HydrophobicContact CG1-CD1 4.13Å; V79-I83 WeakPolarHBondContact O-CG1 3.5Å; V79-I83 PolarHBondContact O-N 3.24Å; V79-Q173 HydrophobicContact CG2-CB 3.97Å; V79-F330 HydrophobicContact CG1-CE2 4.12Å; V79-F330 HydrophobicContact CG1-CZ 4.18Å; V79-F330 HydrophobicContact CG2-CZ 4.19Å
80M92.4Very high91.4Very high45 Ų4538.9 Ų38.922%0.22226%0.255CS..Hα-helixtrans-58.5-42.3174.5-71-177.369.900112.1L26 L29 M33 F76 P77 S82 I83 G84L26-M80 HydrophobicContact CD2-CB 4.09Å; L26-M80 HydrophobicContact CD2-CE 4.42Å; L26-M80 HydrophobicContact CD2-CG 4.47Å; L26-M80 VanDerWaalsContact CD2-O 3.28Å; L26-M80 WeakPolarHBondContact CD2-O 3.29Å; L29-M80 HydrophobicContact CB-CG 4.35Å; L29-M80 HydrophobicContact CD2-CB 4.45Å; L29-M80 HydrophobicContact CD2-CG 3.46Å; L29-M80 VanDerWaalsContact CD2-CG 3.46Å; L29-M80 HydrophobicContact CG-CG 3.8Å; L29-M80 HydrophobicContact CG-SD 4.49Å; M33-M80 HydrophobicContact CE-SD 3.83Å; M33-M80 HydrophobicContact SD-SD 4.16Å; F76-M80 WeakPolarHBondContact O-CG 3.48Å; F76-M80 PolarHBondContact O-N 3.42Å; P77-M80 PolarHBondContact O-N 3.18Å; M80-S82 VanDerWaalsContact C-N 3.33Å; M80-S82 PolarHBondContact O-N 3.32Å; M80-I83 PolarHBondContact O-N 3.07Å; M80-G84 PolarHBondContact O-N 3.38Å
81A92.1Very high90.9Very high26 Ų2640.9 Ų40.922%0.21526%0.257CS..Hα-helixtrans-65.2-36.7177.700000112.4P77 F78 V79 G84 A85 Y91P77-A81 WeakPolarHBondContact O-CB 3.46Å; P77-A81 PolarHBondContact O-N 3.01Å; F78-A81 PolarHBondContact O-N 3.28Å; V79-A81 VanDerWaalsContact C-N 3.3Å; V79-A81 PolarHBondContact O-N 2.93Å; A81-G84 PolarHBondContact O-N 3.32Å; A81-A85 WeakPolarHBondContact O-CB 3.03Å; A81-A85 PolarHBondContact O-N 2.87Å; A81-Y91 HydrophobicContact CB-CE2 3.66Å; A81-Y91 VanDerWaalsContact CB-OH 3.29Å; A81-Y91 WeakPolarHBondContact CB-OH 3.33Å
82S91.5Very high90.5Very high0 Ų041.7 Ų41.70%027%0.273CS..Hα-helixtrans-65.5-41.9174.9-173.40000112.3F78 V79 M80 G84 A85 G86 S87 D88 F167F78-S82 PolarHBondContact O-N 3.43Å; V79-S82 PolarHBondContact O-N 3.25Å; V79-S82 VanDerWaalsContact O-N 3.16Å; M80-S82 VanDerWaalsContact C-N 3.33Å; M80-S82 PolarHBondContact O-N 3.32Å; S82-G84 VanDerWaalsContact C-N 3.33Å; S82-G84 PolarHBondContact O-N 3.38Å; S82-A85 PolarHBondContact O-N 2.74Å; S82-G86 PolarHBondContact O-N 3.43Å; S82-S87 WeakPolarHBondContact O-CA 3.45Å; S82-S87 PolarHBondContact O-N 2.9Å; S82-D88 WeakPolarHBondContact CA-O 3.16Å; S82-D88 PolarHBondContact OG-O 3.43Å; S82-F167 WeakPolarHBondContact OG-CE2 3.41Å; S82-F167 VanDerWaalsContact OG-CZ 3.28Å; S82-F167 WeakPolarHBondContact OG-CZ 3.31Å
83I90.2Very high90.1Very high4 Ų445.4 Ų45.42%0.02130%0.304CS..Hα-helixtrans-62.4-42.9174.5-61.6162.2000110.5K25 L26 L29 V79 M80 A85 G86 E172K25-I83 HydrophobicContact CB-CD1 4.31Å; K25-I83 HydrophobicContact CB-CG2 4.11Å; L26-I83 HydrophobicContact CD1-CG2 4.46Å; L26-I83 HydrophobicContact CD2-CB 3.9Å; L26-I83 HydrophobicContact CD2-CG2 3.92Å; L26-I83 HydrophobicContact CG-CB 4.34Å; L26-I83 HydrophobicContact CG-CG2 3.77Å; L29-I83 HydrophobicContact CD2-CD1 4.01Å; V79-I83 HydrophobicContact CG1-CD1 4.13Å; V79-I83 WeakPolarHBondContact O-CG1 3.5Å; V79-I83 PolarHBondContact O-N 3.24Å; M80-I83 PolarHBondContact O-N 3.07Å; I83-A85 PolarHBondContact O-N 3.09Å; I83-G86 PolarHBondContact O-N 2.93Å; I83-E172 HydrophobicContact CG1-CB 4.02Å; I83-E172 HydrophobicContact CG1-CG 4.46Å
84G88.1Confident89.7Confident57 Ų5749.2 Ų49.259%0.58832%0.317SS*.Hα-helixtrans-65.3-26177.500000114M80 A81 S82 G86M80-G84 PolarHBondContact O-N 3.38Å; A81-G84 PolarHBondContact O-N 3.32Å; S82-G84 VanDerWaalsContact C-N 3.33Å; S82-G84 PolarHBondContact O-N 3.38Å; G84-G86 VanDerWaalsContact C-N 3.3Å
85A87.4Confident89.5Confident46 Ų4648.3 Ų48.338%0.3831%0.312SS..THydrogen-bonded Turntrans-84.52.6176.300000113.8A81 S82 I83 P90A81-A85 WeakPolarHBondContact O-CB 3.03Å; A81-A85 PolarHBondContact O-N 2.87Å; S82-A85 PolarHBondContact O-N 2.74Å; I83-A85 PolarHBondContact O-N 3.09Å; A85-P90 HydrophobicContact CB-CG 4.29Å
86G84.5Confident89.4Confident56 Ų5648.6 Ų48.658%0.57731%0.314SS*.THydrogen-bonded Turntrans86.436.8-178.300000113.8S82 I83 G84 D88S82-G86 PolarHBondContact O-N 3.43Å; I83-G86 PolarHBondContact O-N 2.93Å; G84-G86 VanDerWaalsContact C-N 3.3Å; G86-D88 VanDerWaalsContact C-N 3.29Å; G86-D88 PolarHBondContact O-N 3.26Å
87S84.1Confident89.1Confident35 Ų3552.2 Ų52.225%0.24533%0.33CS..SBendtrans63.935.3-177.5-46.80000112.5S82 F167 E172S82-S87 WeakPolarHBondContact O-CA 3.45Å; S82-S87 PolarHBondContact O-N 2.9Å; S87-F167 WeakPolarHBondContact O-CE1 3.41Å; S87-F167 WeakPolarHBondContact O-CZ 3.16Å; S87-E172 PolarHBondContact OG-OE1 3.09Å
88D86.6Confident89Confident105 Ų10553.8 Ų53.856%0.56133%0.334SS*.  trans-118.7161.8174.6-86.8-27.6000111.1S82 G86 P90S82-D88 WeakPolarHBondContact CA-O 3.16Å; S82-D88 PolarHBondContact OG-O 3.43Å; G86-D88 VanDerWaalsContact C-N 3.29Å; G86-D88 PolarHBondContact O-N 3.26Å; D88-P90 WeakPolarHBondContact O-CD 3.13Å
89W88.2Confident88.9Confident37 Ų3751 Ų5114%0.1432%0.323CS..  trans-110.299.5178.8-171.7-93.5000112.5F78 Y91 G92 S95 C96 V99 F167 C174F78-W89 HydrophobicContact CB-CH2 3.79Å; F78-W89 HydrophobicContact CB-CZ3 4.13Å; F78-W89 AromaticContact CD1-CH2 3.94Å; F78-W89 HydrophobicContact CD1-CH2 3.94Å; F78-W89 HydrophobicContact CD1-CZ2 4.37Å; F78-W89 HydrophobicContact CG-CH2 4.07Å; W89-Y91 HydrophobicContact CZ2-CD2 4.26Å; W89-G92 VanDerWaalsContact CD1-O 3.23Å; W89-G92 PolarHBondContact NE1-O 3.07Å; W89-S95 PolarHBondContact NE1-OG 3.27Å; W89-C96 HydrophobicContact CD2-CB 4.29Å; W89-C96 HydrophobicContact CG-CB 4.39Å; W89-C96 HydrophobicContact CZ2-CB 4.18Å; W89-V99 HydrophobicContact CH2-CB 4.17Å; W89-V99 HydrophobicContact CH2-CG1 4.27Å; W89-V99 HydrophobicContact CH2-CG2 4.03Å; W89-V99 HydrophobicContact CZ2-CG2 4.38Å; W89-F167 HydrophobicContact CB-CB 4.27Å; W89-F167 HydrophobicContact CB-CD1 4.3Å; W89-F167 HydrophobicContact CB-CD2 3.96Å; W89-F167 HydrophobicContact CB-CE2 4.41Å; W89-F167 HydrophobicContact CB-CG 3.89Å; W89-F167 HydrophobicContact CE3-CD2 4.13Å; W89-F167 HydrophobicContact CE3-CE2 4.39Å; W89-C174 VanDerWaalsContact CD2-SG 3.6Å; W89-C174 VanDerWaalsContact CE3-SG 3.58Å
90P87.3Confident88.9Confident82 Ų8250.9 Ų50.953%0.53232%0.322SS..THydrogen-bonded Turntrans-84-13.2-174.432-35.4000114.3A85 D88 G92A85-P90 HydrophobicContact CB-CG 4.29Å; D88-P90 WeakPolarHBondContact O-CD 3.13Å; P90-G92 VanDerWaalsContact C-N 3.32Å; P90-G92 PolarHBondContact O-N 2.99Å
91Y86.3Confident88.9Confident123 Ų12350.6 Ų50.648%0.48232%0.319SS..THydrogen-bonded Turntrans-87.69.3-169-58.1-74.1000114.8F78 A81 W89 S95F78-Y91 HydrophobicContact CD1-CD2 4.08Å; F78-Y91 HydrophobicContact CD1-CE2 4.18Å; F78-Y91 HydrophobicContact CE1-CD2 4.4Å; F78-Y91 HydrophobicContact CE1-CG 4.49Å; A81-Y91 HydrophobicContact CB-CE2 3.66Å; A81-Y91 VanDerWaalsContact CB-OH 3.29Å; A81-Y91 WeakPolarHBondContact CB-OH 3.33Å; W89-Y91 HydrophobicContact CZ2-CD2 4.26Å; Y91-S95 WeakPolarHBondContact CB-OG 3.21Å; Y91-S95 PolarHBondContact O-OG 3Å
92G88.1Confident89Confident40 Ų4051.2 Ų51.241%0.41232%0.319SS..Hα-helixtrans79.5171-179.100000115W89 P90 S95 C96W89-G92 VanDerWaalsContact CD1-O 3.23Å; W89-G92 PolarHBondContact NE1-O 3.07Å; P90-G92 VanDerWaalsContact C-N 3.32Å; P90-G92 PolarHBondContact O-N 2.99Å; G92-S95 PolarHBondContact O-OG 3.23Å; G92-C96 PolarHBondContact O-N 3.48Å
93A86.4Confident89.1Confident78 Ų7852.5 Ų52.565%0.64533%0.328SS*.Hα-helixtrans-71-34.2-171.200000114.2C96 K97A93-C96 WeakPolarHBondContact O-CB 3.33Å; A93-C96 PolarHBondContact O-N 3.49Å; A93-K97 PolarHBondContact O-N 3.37Å; A93-K97 VanDerWaalsContact O-N 3.09Å
94L88.5Confident89.1Confident130 Ų13053.5 Ų53.568%0.68133%0.334SS*.Hα-helixtrans-65.9-44.8-178.3178.661.9000111.8C96 K97 I98L94-C96 VanDerWaalsContact C-N 3.3Å; L94-C96 PolarHBondContact O-N 3.47Å; L94-K97 PolarHBondContact O-N 3.49Å; L94-I98 HydrophobicContact CD1-CD1 4.21Å; L94-I98 HydrophobicContact CD1-CG1 4.46Å; L94-I98 HydrophobicContact CG-CD1 4Å; L94-I98 WeakPolarHBondContact O-CG1 3.28Å; L94-I98 PolarHBondContact O-N 2.81Å
95S89.9Confident89.4Confident25 Ų2551.3 Ų51.318%0.17531%0.309CS..Hα-helixtrans-62.8-38.7177.558.90000111.4W89 Y91 G92 K97 I98 V99W89-S95 PolarHBondContact NE1-OG 3.27Å; Y91-S95 WeakPolarHBondContact CB-OG 3.21Å; Y91-S95 PolarHBondContact O-OG 3Å; G92-S95 PolarHBondContact O-OG 3.23Å; S95-K97 PolarHBondContact O-N 3.37Å; S95-I98 PolarHBondContact O-N 2.91Å; S95-V99 WeakPolarHBondContact O-CB 3.36Å; S95-V99 WeakPolarHBondContact O-CG2 3.32Å; S95-V99 PolarHBondContact O-N 3.48Å
96C90.4Very high89.8Confident9 Ų949.5 Ų49.56%0.06129%0.292CS..Hα-helixtrans-60.1-46.7174.5-173.60000111.7W89 G92 A93 L94 I98 V99 A100 F167 C174W89-C96 HydrophobicContact CD2-CB 4.29Å; W89-C96 HydrophobicContact CG-CB 4.39Å; W89-C96 HydrophobicContact CZ2-CB 4.18Å; G92-C96 PolarHBondContact O-N 3.48Å; A93-C96 WeakPolarHBondContact O-CB 3.33Å; A93-C96 PolarHBondContact O-N 3.49Å; L94-C96 VanDerWaalsContact C-N 3.3Å; L94-C96 PolarHBondContact O-N 3.47Å; C96-I98 VanDerWaalsContact C-N 3.34Å; C96-I98 PolarHBondContact O-N 3.39Å; C96-V99 PolarHBondContact O-N 2.88Å; C96-A100 VanDerWaalsContact O-CB 3.29Å; C96-A100 WeakPolarHBondContact O-CB 3.34Å; C96-A100 PolarHBondContact O-N 3.12Å; C96-F167 PolarHBondContact SG-N 3.04Å; C96-C174 WeakPolarHBondContact CA-SG 3.19Å; C96-C174 HydrophobicContact CB-CB 4.04Å; C96-C174 WeakPolarHBondContact CB-SG 3.32Å; C96-C174 VanDerWaalsContact O-CB 3.31Å; C96-C174 WeakPolarHBondContact O-CB 3.41Å; C96-C174 WeakPolarHBondContact SG-CB 3.31Å; C96-C174 CovalentContact SG-SG 2.03Å; C96-C174 PolarHBondContact SG-SG 3.31Å
97K89.6Confident90.2Very high78 Ų7847.5 Ų47.534%0.33927%0.269SS..Hα-helixtrans-60.4-42.1175.9-71.5-171175.1-163.20112A93 L94 S95 F101 D161A93-K97 PolarHBondContact O-N 3.37Å; A93-K97 VanDerWaalsContact O-N 3.09Å; L94-K97 PolarHBondContact O-N 3.49Å; S95-K97 PolarHBondContact O-N 3.37Å; K97-F101 VanDerWaalsContact O-CB 3.32Å; K97-F101 WeakPolarHBondContact O-CB 3.29Å; K97-F101 PolarHBondContact O-N 2.94Å; K97-D161 IonicContact NZ-OD1 3.72Å
98I91.3Very high90.7Very high87 Ų8746.3 Ų46.345%0.44626%0.26SS..Hα-helixtrans-65.6-46.9178.7-67.3167.2000111.2L94 S95 C96 F101 L102L94-I98 HydrophobicContact CD1-CD1 4.21Å; L94-I98 HydrophobicContact CD1-CG1 4.46Å; L94-I98 HydrophobicContact CG-CD1 4Å; L94-I98 WeakPolarHBondContact O-CG1 3.28Å; L94-I98 PolarHBondContact O-N 2.81Å; S95-I98 PolarHBondContact O-N 2.91Å; C96-I98 VanDerWaalsContact C-N 3.34Å; C96-I98 PolarHBondContact O-N 3.39Å; I98-F101 PolarHBondContact O-N 3.18Å; I98-L102 HydrophobicContact CG2-CD1 4.08Å; I98-L102 HydrophobicContact CG2-CG 4.45Å; I98-L102 WeakPolarHBondContact O-CG 3.44Å; I98-L102 PolarHBondContact O-N 2.88Å
99V92.8Very high91.1Very high5 Ų541.3 Ų41.33%0.0323%0.233CC..Hα-helixtrans-65.9-39.3-179.6171.60000111.3F78 W89 S95 C96 L102 S103F78-V99 HydrophobicContact CB-CG1 4.26Å; F78-V99 HydrophobicContact CB-CG2 4.25Å; F78-V99 HydrophobicContact CD1-CG2 4.37Å; F78-V99 HydrophobicContact CD2-CG2 3.5Å; F78-V99 HydrophobicContact CE2-CG2 3.91Å; F78-V99 HydrophobicContact CG-CG2 3.8Å; F78-V99 HydrophobicContact CZ-CG2 4.49Å; W89-V99 HydrophobicContact CH2-CB 4.17Å; W89-V99 HydrophobicContact CH2-CG1 4.27Å; W89-V99 HydrophobicContact CH2-CG2 4.03Å; W89-V99 HydrophobicContact CZ2-CG2 4.38Å; S95-V99 WeakPolarHBondContact O-CB 3.36Å; S95-V99 WeakPolarHBondContact O-CG2 3.32Å; S95-V99 PolarHBondContact O-N 3.48Å; C96-V99 PolarHBondContact O-N 2.88Å; V99-L102 PolarHBondContact O-N 3.37Å; V99-S103 WeakPolarHBondContact O-CB 3.08Å; V99-S103 PolarHBondContact O-N 3.36Å; V99-S103 PolarHBondContact O-OG 3.18Å
100A91.3Very high91.5Very high0 Ų040.2 Ų40.20%023%0.23CC..Hα-helixtrans-63-47173.500000111.5C96 L102 S103 V104 Y165 C174C96-A100 VanDerWaalsContact O-CB 3.29Å; C96-A100 WeakPolarHBondContact O-CB 3.34Å; C96-A100 PolarHBondContact O-N 3.12Å; A100-L102 PolarHBondContact O-N 2.92Å; A100-S103 PolarHBondContact O-N 3.3Å; A100-V104 WeakPolarHBondContact O-CG2 3.29Å; A100-V104 PolarHBondContact O-N 3.49Å; A100-Y165 HydrophobicContact CB-CD1 3.44Å; A100-Y165 VanDerWaalsContact CB-CD1 3.44Å; A100-Y165 HydrophobicContact CB-CD2 4.37Å; A100-Y165 HydrophobicContact CB-CE1 4.06Å; A100-Y165 HydrophobicContact CB-CG 3.64Å; A100-C174 VanDerWaalsContact CA-O 3.31Å; A100-C174 WeakPolarHBondContact CA-O 3.39Å; A100-C174 HydrophobicContact CB-CB 4.08Å; A100-C174 WeakPolarHBondContact CB-O 3.23Å
101F92.8Very high91.8Very high39 Ų3936.4 Ų36.417%0.17121%0.206CC..Hα-helixtrans-57.2-48.2175.7169.4-95.9000112K97 I98 S103 V104 L105 A155 F156 V159 Y165K97-F101 VanDerWaalsContact O-CB 3.32Å; K97-F101 WeakPolarHBondContact O-CB 3.29Å; K97-F101 PolarHBondContact O-N 2.94Å; I98-F101 PolarHBondContact O-N 3.18Å; F101-S103 PolarHBondContact O-N 3.05Å; F101-V104 PolarHBondContact O-N 3.02Å; F101-L105 HydrophobicContact CE1-CD2 4Å; F101-L105 HydrophobicContact CZ-CD2 4.31Å; F101-L105 WeakPolarHBondContact O-CB 3.33Å; F101-L105 PolarHBondContact O-N 2.99Å; F101-A155 HydrophobicContact CD2-CB 3.93Å; F101-A155 WeakPolarHBondContact CD2-O 3.21Å; F101-A155 HydrophobicContact CE2-CB 3.66Å; F101-A155 HydrophobicContact CZ-CB 4.43Å; F101-F156 HydrophobicContact CE2-CD2 4.14Å; F101-V159 HydrophobicContact CD2-CG2 3.81Å; F101-V159 HydrophobicContact CE2-CG2 4.49Å; F101-V159 HydrophobicContact CG-CG2 4.47Å; F101-Y165 HydrophobicContact CB-CE2 4.02Å
102L94.4Very high92.3Very high39 Ų3931.7 Ų31.720%0.20419%0.188CC..Hα-helixtrans-62-43.9178.7-73.1175.9000111.6V74 I98 V99 A100 V104 L105 F106V74-L102 HydrophobicContact CG1-CD1 3.81Å; I98-L102 HydrophobicContact CG2-CD1 4.08Å; I98-L102 HydrophobicContact CG2-CG 4.45Å; I98-L102 WeakPolarHBondContact O-CG 3.44Å; I98-L102 PolarHBondContact O-N 2.88Å; V99-L102 PolarHBondContact O-N 3.37Å; A100-L102 PolarHBondContact O-N 2.92Å; L102-V104 VanDerWaalsContact C-N 3.35Å; L102-V104 PolarHBondContact O-N 2.65Å; L102-L105 HydrophobicContact CD2-CD2 4.34Å; L102-L105 WeakPolarHBondContact O-CB 3.4Å; L102-L105 PolarHBondContact O-N 3.45Å; L102-F106 HydrophobicContact CB-CD2 4.45Å; L102-F106 HydrophobicContact CB-CE2 4.07Å; L102-F106 HydrophobicContact CD2-CE2 4.33Å; L102-F106 WeakPolarHBondContact O-CD2 3.37Å; L102-F106 WeakPolarHBondContact O-CG 3.44Å; L102-F106 PolarHBondContact O-N 3.01Å
103S92.4Very high92.7Very high27 Ų2729.8 Ų29.819%0.18917%0.168CC..Hα-helixtrans-60.6-44.4178.8-59.80000111.7V99 A100 F101 C107V99-S103 WeakPolarHBondContact O-CB 3.08Å; V99-S103 PolarHBondContact O-N 3.36Å; V99-S103 PolarHBondContact O-OG 3.18Å; A100-S103 PolarHBondContact O-N 3.3Å; F101-S103 PolarHBondContact O-N 3.05Å; S103-C107 WeakPolarHBondContact O-CB 3.42Å; S103-C107 PolarHBondContact O-N 3.05Å; S103-C107 VanDerWaalsContact O-N 3.15Å
104V91.1Very high93.2Very high25 Ų2526.3 Ų26.315%0.15214%0.139CC..Hα-helixtrans-68.9-40.8176.6173.60000111.7A100 F101 L102 F106 C107 F108 A155 Y165A100-V104 WeakPolarHBondContact O-CG2 3.29Å; A100-V104 PolarHBondContact O-N 3.49Å; F101-V104 PolarHBondContact O-N 3.02Å; L102-V104 VanDerWaalsContact C-N 3.35Å; L102-V104 PolarHBondContact O-N 2.65Å; V104-F106 PolarHBondContact O-N 3.48Å; V104-C107 WeakPolarHBondContact O-CB 3.46Å; V104-C107 PolarHBondContact O-N 3.34Å; V104-F108 HydrophobicContact CG1-CD2 3.61Å; V104-F108 HydrophobicContact CG1-CE2 3.54Å; V104-F108 WeakPolarHBondContact O-CD2 3.28Å; V104-F108 PolarHBondContact O-N 2.87Å; V104-A155 HydrophobicContact CG1-CB 4.05Å; V104-Y165 HydrophobicContact CG2-CE1 3.94Å
105L94.6Very high93.6Very high12 Ų1223.3 Ų23.36%0.06312%0.121CC..Hα-helixtrans-56.5-51175.7173.265.5000111.4F101 L102 C107 F108 H109 W148 V152 A155F101-L105 HydrophobicContact CE1-CD2 4Å; F101-L105 HydrophobicContact CZ-CD2 4.31Å; F101-L105 WeakPolarHBondContact O-CB 3.33Å; F101-L105 PolarHBondContact O-N 2.99Å; L102-L105 HydrophobicContact CD2-CD2 4.34Å; L102-L105 WeakPolarHBondContact O-CB 3.4Å; L102-L105 PolarHBondContact O-N 3.45Å; L105-C107 VanDerWaalsContact C-N 3.31Å; L105-C107 PolarHBondContact O-N 3.47Å; L105-F108 PolarHBondContact O-N 3.06Å; L105-H109 VanDerWaalsContact O-CB 3.27Å; L105-H109 WeakPolarHBondContact O-CB 3.42Å; L105-H109 PolarHBondContact O-N 3.25Å; L105-W148 HydrophobicContact CD2-CZ3 4.21Å; L105-W148 HydrophobicContact CG-CZ3 4.45Å; L105-V152 HydrophobicContact CD1-CB 4.31Å; L105-V152 HydrophobicContact CD1-CG2 3.6Å; L105-A155 HydrophobicContact CB-CB 4.03Å; L105-A155 HydrophobicContact CD1-CB 4.46Å
106F95.5Very high93.9Very high7 Ų723 Ų233%0.03112%0.118CC..Hα-helixtrans-65.6-35.2179.5-68.1-59000112.4A67 L70 R71 L102 V104 H109 V110 W148A67-F106 HydrophobicContact CB-CD1 4.28Å; L70-F106 HydrophobicContact CB-CE1 4.16Å; L70-F106 HydrophobicContact CB-CZ 4Å; L70-F106 HydrophobicContact CD2-CE1 3.81Å; L70-F106 HydrophobicContact CD2-CZ 3.51Å; L70-F106 HydrophobicContact CG-CE1 4.08Å; L70-F106 HydrophobicContact CG-CE2 4.44Å; L70-F106 HydrophobicContact CG-CZ 3.54Å; R71-F106 HydrophobicContact CB-CB 4.23Å; R71-F106 HydrophobicContact CB-CD1 4.41Å; R71-F106 HydrophobicContact CB-CD2 3.63Å; R71-F106 HydrophobicContact CB-CE2 4.12Å; R71-F106 HydrophobicContact CB-CG 3.85Å; R71-F106 HydrophobicContact CG-CB 4.22Å; R71-F106 HydrophobicContact CG-CD2 3.84Å; R71-F106 HydrophobicContact CG-CG 4.21Å; L102-F106 HydrophobicContact CB-CD2 4.45Å; L102-F106 HydrophobicContact CB-CE2 4.07Å; L102-F106 HydrophobicContact CD2-CE2 4.33Å; L102-F106 WeakPolarHBondContact O-CD2 3.37Å; L102-F106 WeakPolarHBondContact O-CG 3.44Å; L102-F106 PolarHBondContact O-N 3.01Å; V104-F106 PolarHBondContact O-N 3.48Å; F106-H109 PolarHBondContact O-N 3.26Å; F106-V110 WeakPolarHBondContact O-CG1 3.22Å; F106-V110 PolarHBondContact O-N 3.47Å; F106-W148 HydrophobicContact CD1-CH2 4.39Å; F106-W148 AromaticContact CE1-CH2 3.89Å; F106-W148 HydrophobicContact CE1-CH2 3.89Å; F106-W148 HydrophobicContact CE1-CZ3 4.4Å
107C92.9Very high94.1Very high14 Ų1422.6 Ų22.610%0.09512%0.115CC..Hα-helixtrans-62.3-47.2175-178.40000112S103 V104 L105 V110 A111 W299S103-C107 WeakPolarHBondContact O-CB 3.42Å; S103-C107 PolarHBondContact O-N 3.05Å; S103-C107 VanDerWaalsContact O-N 3.15Å; V104-C107 WeakPolarHBondContact O-CB 3.46Å; V104-C107 PolarHBondContact O-N 3.34Å; L105-C107 VanDerWaalsContact C-N 3.31Å; L105-C107 PolarHBondContact O-N 3.47Å; C107-V110 WeakPolarHBondContact O-CG1 3.39Å; C107-A111 PolarHBondContact O-N 3.33Å; C107-W299 HydrophobicContact CB-CH2 3.99Å; C107-W299 WeakPolarHBondContact SG-CH2 3.35Å; C107-W299 VanDerWaalsContact SG-CZ3 3.58Å
108F93.6Very high94.4Very high11 Ų1118.9 Ų18.95%0.04810%0.099CC..Hα-helixtrans-68.8-37.6175.9-79.5-64000112.2V104 L105 A111 F112 M154 F189 M192 L193V104-F108 HydrophobicContact CG1-CD2 3.61Å; V104-F108 HydrophobicContact CG1-CE2 3.54Å; V104-F108 WeakPolarHBondContact O-CD2 3.28Å; V104-F108 PolarHBondContact O-N 2.87Å; L105-F108 PolarHBondContact O-N 3.06Å; F108-A111 PolarHBondContact O-N 2.58Å; F108-F112 HydrophobicContact CB-CD2 4.25Å; F108-F112 HydrophobicContact CB-CE2 4.2Å; F108-F112 HydrophobicContact CD1-CE2 4.29Å; F108-F112 WeakPolarHBondContact O-CD2 3.26Å; F108-F112 PolarHBondContact O-N 3.09Å; F108-M154 HydrophobicContact CD1-CB 4.44Å; F108-M154 HydrophobicContact CD2-CB 4.11Å; F108-M154 HydrophobicContact CE2-CB 4.34Å; F108-M154 HydrophobicContact CG-CB 4.17Å; F108-F189 HydrophobicContact CZ-CD1 4.45Å; F108-M192 HydrophobicContact CD1-CE 3.91Å; F108-M192 HydrophobicContact CE1-CE 3.25Å; F108-M192 HydrophobicContact CE2-CE 4.47Å; F108-M192 HydrophobicContact CZ-CE 3.59Å; F108-L193 HydrophobicContact CD1-CD1 4.26Å; F108-L193 HydrophobicContact CE1-CB 4.11Å; F108-L193 HydrophobicContact CE1-CD1 4.1Å
109H96.2Very high94.5Very high0 Ų017.3 Ų17.30%09%0.094CC..Hα-helixtrans-57.8-50.8176.3175.182.6000111.9D63 L105 F106 A111 F112 L113 W148 S151D63-H109 IonicContact OD1-CE1 3.91Å; D63-H109 IonicContact OD2-CE1 3.13Å; D63-H109 PolarHBondContact OD2-CE1 2.84Å; D63-H109 IonicContact OD2-NE2 3.25Å; D63-H109 PolarHBondContact OD2-NE2 2.96Å; L105-H109 VanDerWaalsContact O-CB 3.27Å; L105-H109 WeakPolarHBondContact O-CB 3.42Å; L105-H109 PolarHBondContact O-N 3.25Å; F106-H109 PolarHBondContact O-N 3.26Å; H109-A111 VanDerWaalsContact C-N 3.33Å; H109-A111 PolarHBondContact O-N 3.47Å; H109-F112 PolarHBondContact O-N 3.33Å; H109-L113 WeakPolarHBondContact O-CB 3.18Å; H109-L113 PolarHBondContact O-N 2.91Å; H109-W148 AromaticContact CE1-CD1 3.76Å; H109-W148 AromaticContact CE1-CD2 3.94Å; H109-W148 AromaticContact CE1-CE2 3.41Å; H109-W148 VanDerWaalsContact CE1-CE2 3.41Å; H109-W148 AromaticContact CE1-CZ2 3.82Å; H109-W148 AromaticContact CE1-NE1 3.26Å; H109-W148 PolarHBondContact CE1-NE1 3.5Å; H109-W148 VanDerWaalsContact CE1-NE1 3.26Å; H109-W148 AromaticContact ND1-CD2 3.68Å; H109-W148 AromaticContact ND1-CE2 3.6Å; H109-W148 AromaticContact ND1-CG 3.98Å; H109-W148 AromaticContact ND1-NE1 3.79Å; H109-S151 WeakPolarHBondContact CA-OG 3.3Å; H109-S151 PolarHBondContact N-OG 3.21Å
110V95.8Very high94.6Very high13 Ų1317.4 Ų17.48%0.0799%0.094CC..Hα-helixtrans-62.5-40.5176.8640000111.6L64 F106 C107 L113 L114 F295L64-V110 HydrophobicContact CD1-CB 4.24Å; L64-V110 HydrophobicContact CD1-CG2 3.54Å; F106-V110 WeakPolarHBondContact O-CG1 3.22Å; F106-V110 PolarHBondContact O-N 3.47Å; C107-V110 WeakPolarHBondContact O-CG1 3.39Å; V110-L113 PolarHBondContact O-N 3.01Å; V110-L114 HydrophobicContact CG2-CD1 3.89Å; V110-L114 HydrophobicContact CG2-CG 4.11Å; V110-L114 WeakPolarHBondContact O-CB 3.47Å; V110-L114 WeakPolarHBondContact O-CG 3.35Å; V110-L114 PolarHBondContact O-N 2.76Å; V110-F295 HydrophobicContact CG1-CD2 4.16Å; V110-F295 HydrophobicContact CG1-CE2 3.48Å; V110-F295 VanDerWaalsContact CG1-CE2 3.48Å; V110-F295 HydrophobicContact CG1-CZ 4.21Å; V110-F295 HydrophobicContact CG2-CD2 4.17Å; V110-F295 HydrophobicContact CG2-CE2 4.29Å
111A94.8Very high94.7Very high3 Ų317.5 Ų17.53%0.0259%0.094CC..Hα-helixtrans-62.5-48.617900000112.4C107 F108 H109 L114 F115 L193 I196 F295C107-A111 PolarHBondContact O-N 3.33Å; F108-A111 PolarHBondContact O-N 2.58Å; H109-A111 VanDerWaalsContact C-N 3.33Å; H109-A111 PolarHBondContact O-N 3.47Å; A111-L114 PolarHBondContact O-N 3.3Å; A111-F115 PolarHBondContact O-N 3.01Å; A111-F115 VanDerWaalsContact O-N 3.08Å; A111-L193 HydrophobicContact CB-CD1 3.9Å; A111-I196 HydrophobicContact CB-CG2 4.08Å; A111-F295 HydrophobicContact CB-CZ 4.46Å
112F96.4Very high94.6Very high23 Ų2318.7 Ų18.710%0.10110%0.098CC..Hα-helixtrans-67.1-39.3177.3-75.7-55.9000112.4F108 H109 F115 C116 V147 L150 M154 I196F108-F112 HydrophobicContact CB-CD2 4.25Å; F108-F112 HydrophobicContact CB-CE2 4.2Å; F108-F112 HydrophobicContact CD1-CE2 4.29Å; F108-F112 WeakPolarHBondContact O-CD2 3.26Å; F108-F112 PolarHBondContact O-N 3.09Å; H109-F112 PolarHBondContact O-N 3.33Å; F112-F115 WeakPolarHBondContact O-CB 3.38Å; F112-F115 PolarHBondContact O-N 3.13Å; F112-C116 PolarHBondContact O-N 2.79Å; F112-C116 PolarHBondContact O-SG 3.27Å; F112-C116 VanDerWaalsContact O-SG 3.41Å; F112-V147 HydrophobicContact CB-CG1 3.89Å; F112-V147 HydrophobicContact CB-CG2 4.42Å; F112-L150 HydrophobicContact CD2-CB 4.22Å; F112-L150 HydrophobicContact CE2-CB 4.12Å; F112-L150 HydrophobicContact CZ-CB 4.44Å; F112-M154 HydrophobicContact CE2-CG 3.97Å; F112-M154 HydrophobicContact CZ-CG 4.08Å; F112-I196 HydrophobicContact CD1-CD1 3.96Å; F112-I196 HydrophobicContact CD1-CG1 4.41Å; F112-I196 HydrophobicContact CD1-CG2 4.35Å; F112-I196 HydrophobicContact CE1-CD1 3.27Å; F112-I196 HydrophobicContact CE1-CG1 3.89Å; F112-I196 HydrophobicContact CE2-CD1 4.23Å; F112-I196 HydrophobicContact CZ-CD1 3.43Å; F112-I196 VanDerWaalsContact CZ-CD1 3.43Å; F112-I196 HydrophobicContact CZ-CG1 4.49Å
113L96.9Very high94.5Very high1 Ų119.8 Ų19.81%0.00510%0.103CC..Hα-helixtrans-62.6-46176.7-173.961000111F60 D63 L64 H109 V110 F115 C116 V117 V147F60-L113 HydrophobicContact CB-CD1 4.36Å; F60-L113 HydrophobicContact CD1-CD1 3.97Å; D63-L113 HydrophobicContact CB-CD2 4.37Å; D63-L113 WeakPolarHBondContact OD2-CD2 3.4Å; L64-L113 HydrophobicContact CB-CD2 3.76Å; L64-L113 HydrophobicContact CD1-CD2 4.15Å; H109-L113 WeakPolarHBondContact O-CB 3.18Å; H109-L113 PolarHBondContact O-N 2.91Å; V110-L113 PolarHBondContact O-N 3.01Å; L113-F115 VanDerWaalsContact C-N 3.29Å; L113-F115 PolarHBondContact O-N 2.83Å; L113-C116 PolarHBondContact O-N 3.45Å; L113-V117 HydrophobicContact CD1-CG2 4.45Å; L113-V117 HydrophobicContact CG-CG2 4.41Å; L113-V117 WeakPolarHBondContact O-CB 3.38Å; L113-V117 VanDerWaalsContact O-CG2 3.23Å; L113-V117 WeakPolarHBondContact O-CG2 3.38Å; L113-V117 PolarHBondContact O-N 3.43Å; L113-V147 HydrophobicContact CB-CG1 4.08Å
114L95.6Very high94.4Very high4 Ų418.5 Ų18.52%0.0219%0.094CC..Hα-helixtrans-61.8-37.3176.6-69.2176.9000111.9V110 A111 V117 S118 T200 I291 F295V110-L114 HydrophobicContact CG2-CD1 3.89Å; V110-L114 HydrophobicContact CG2-CG 4.11Å; V110-L114 WeakPolarHBondContact O-CB 3.47Å; V110-L114 WeakPolarHBondContact O-CG 3.35Å; V110-L114 PolarHBondContact O-N 2.76Å; A111-L114 PolarHBondContact O-N 3.3Å; L114-V117 PolarHBondContact O-N 2.79Å; L114-S118 WeakPolarHBondContact O-CB 3.22Å; L114-S118 PolarHBondContact O-N 2.97Å; L114-T200 HydrophobicContact CB-CG2 4.47Å; L114-I291 HydrophobicContact CD2-CG2 3.89Å; L114-F295 HydrophobicContact CD1-CB 3.81Å; L114-F295 HydrophobicContact CD1-CD1 4.29Å; L114-F295 HydrophobicContact CD1-CD2 4.16Å; L114-F295 HydrophobicContact CD1-CG 3.81Å
115F96.4Very high94.3Very high68 Ų6817.9 Ų17.930%0.2989%0.09SC..Hα-helixtrans-60.2-53.6171.3177-105.6000111.5A111 F112 L113 V117 S118 V119 I196 T200 V203A111-F115 PolarHBondContact O-N 3.01Å; A111-F115 VanDerWaalsContact O-N 3.08Å; F112-F115 WeakPolarHBondContact O-CB 3.38Å; F112-F115 PolarHBondContact O-N 3.13Å; L113-F115 VanDerWaalsContact C-N 3.29Å; L113-F115 PolarHBondContact O-N 2.83Å; F115-V117 VanDerWaalsContact C-N 3.29Å; F115-V117 PolarHBondContact O-N 3.27Å; F115-S118 WeakPolarHBondContact O-CB 3.33Å; F115-S118 PolarHBondContact O-N 3.32Å; F115-S118 VanDerWaalsContact O-N 3.07Å; F115-S118 PolarHBondContact O-OG 3.5Å; F115-V119 HydrophobicContact CE1-CG2 4.23Å; F115-V119 HydrophobicContact CE2-CG2 4.26Å; F115-V119 HydrophobicContact CZ-CG2 4.01Å; F115-V119 PolarHBondContact O-N 3.27Å; F115-V119 VanDerWaalsContact O-N 3.11Å; F115-I196 HydrophobicContact CB-CG2 4.36Å; F115-T200 WeakPolarHBondContact CA-OG1 3.3Å; F115-T200 WeakPolarHBondContact CB-OG1 3.49Å; F115-V203 HydrophobicContact CE2-CG2 4.32Å
116C96.3Very high94Very high17 Ų1718.2 Ų18.212%0.11510%0.095CC..Hα-helixtrans-60.8-37.4179.1-69.90000112.6F112 L113 V119 T120 V143 M146 V147F112-C116 PolarHBondContact O-N 2.79Å; F112-C116 PolarHBondContact O-SG 3.27Å; F112-C116 VanDerWaalsContact O-SG 3.41Å; L113-C116 PolarHBondContact O-N 3.45Å; C116-V119 PolarHBondContact O-N 2.72Å; C116-T120 WeakPolarHBondContact O-CB 3.5Å; C116-T120 PolarHBondContact O-N 3.27Å; C116-T120 PolarHBondContact O-OG1 3.42Å; C116-V143 HydrophobicContact CB-CG1 3.88Å; C116-M146 VanDerWaalsContact SG-CE 3.58Å; C116-V147 HydrophobicContact CB-CG2 4.36Å
117V95.6Very high93.6Very high2 Ų222.5 Ų22.51%0.01211%0.114CC..Hα-helixtrans-63.6-44.1173.71700000110.6F60 L113 L114 F115 V119 T120 R121 Y288F60-V117 HydrophobicContact CB-CG2 3.61Å; F60-V117 HydrophobicContact CD2-CG2 4.2Å; F60-V117 HydrophobicContact CG-CG2 3.92Å; L113-V117 HydrophobicContact CD1-CG2 4.45Å; L113-V117 HydrophobicContact CG-CG2 4.41Å; L113-V117 WeakPolarHBondContact O-CB 3.38Å; L113-V117 VanDerWaalsContact O-CG2 3.23Å; L113-V117 WeakPolarHBondContact O-CG2 3.38Å; L113-V117 PolarHBondContact O-N 3.43Å; L114-V117 PolarHBondContact O-N 2.79Å; F115-V117 VanDerWaalsContact C-N 3.29Å; F115-V117 PolarHBondContact O-N 3.27Å; V117-V119 VanDerWaalsContact C-N 3.33Å; V117-V119 PolarHBondContact O-N 3.36Å; V117-T120 WeakPolarHBondContact O-CB 3.46Å; V117-T120 PolarHBondContact O-N 3Å; V117-T120 VanDerWaalsContact O-N 3.16Å; V117-R121 HydrophobicContact CG1-CG 4.09Å; V117-R121 VanDerWaalsContact O-CG 3.3Å; V117-R121 WeakPolarHBondContact O-CG 3.34Å; V117-R121 PolarHBondContact O-N 3.42Å; V117-Y288 HydrophobicContact CG1-CD1 3.44Å; V117-Y288 VanDerWaalsContact CG1-CD1 3.44Å; V117-Y288 HydrophobicContact CG1-CD2 4.09Å; V117-Y288 HydrophobicContact CG1-CE1 3.73Å; V117-Y288 HydrophobicContact CG1-CE2 4.33Å; V117-Y288 HydrophobicContact CG1-CG 3.6Å; V117-Y288 HydrophobicContact CG2-CE1 4.43Å
118S95.4Very high93.2Very high0 Ų024.1 Ų24.10%012%0.121CC..Hα-helixtrans-57.8-45.4177.980.20000112.1L114 F115 R121 Y122 V203L114-S118 WeakPolarHBondContact O-CB 3.22Å; L114-S118 PolarHBondContact O-N 2.97Å; F115-S118 WeakPolarHBondContact O-CB 3.33Å; F115-S118 PolarHBondContact O-N 3.32Å; F115-S118 VanDerWaalsContact O-N 3.07Å; F115-S118 PolarHBondContact O-OG 3.5Å; S118-R121 PolarHBondContact O-N 3.43Å; S118-Y122 WeakPolarHBondContact O-CB 3.31Å; S118-Y122 PolarHBondContact O-N 2.84Å; S118-V203 WeakPolarHBondContact OG-CG1 3.33Å
119V94.6Very high92.8Very high54 Ų5434.1 Ų34.133%0.32716%0.158SC..Hα-helixtrans-63.7-44.8176.3176.60000110.2F115 C116 V117 R121 Y122 M123 V203F115-V119 HydrophobicContact CE1-CG2 4.23Å; F115-V119 HydrophobicContact CE2-CG2 4.26Å; F115-V119 HydrophobicContact CZ-CG2 4.01Å; F115-V119 PolarHBondContact O-N 3.27Å; F115-V119 VanDerWaalsContact O-N 3.11Å; C116-V119 PolarHBondContact O-N 2.72Å; V117-V119 VanDerWaalsContact C-N 3.33Å; V117-V119 PolarHBondContact O-N 3.36Å; V119-R121 PolarHBondContact O-N 3.44Å; V119-Y122 WeakPolarHBondContact O-CB 3.43Å; V119-Y122 PolarHBondContact O-N 2.87Å; V119-M123 HydrophobicContact CG1-CG 4.4Å; V119-M123 VanDerWaalsContact O-CG 3.28Å; V119-M123 WeakPolarHBondContact O-CG 3.33Å; V119-M123 PolarHBondContact O-N 2.64Å; V119-V203 HydrophobicContact CG2-CG1 4.41Å
120T93.4Very high92.4Very high7 Ų739.3 Ų39.34%0.04318%0.181CC..Hα-helixtrans-61.3-44.5178.6-61.40000111.7F60 C116 V117 M123 A124 Y131 M135F60-T120 HydrophobicContact CE2-CG2 3.95Å; C116-T120 WeakPolarHBondContact O-CB 3.5Å; C116-T120 PolarHBondContact O-N 3.27Å; C116-T120 PolarHBondContact O-OG1 3.42Å; V117-T120 WeakPolarHBondContact O-CB 3.46Å; V117-T120 PolarHBondContact O-N 3Å; V117-T120 VanDerWaalsContact O-N 3.16Å; T120-M123 PolarHBondContact O-N 3.07Å; T120-A124 WeakPolarHBondContact O-CB 3.27Å; T120-A124 PolarHBondContact O-N 3.33Å; T120-Y131 HydrophobicContact CG2-CD2 4.45Å; T120-Y131 HydrophobicContact CG2-CE2 3.72Å; T120-M135 HydrophobicContact CG2-CE 3.75Å
121R93.4Very high92Very high1 Ų139.8 Ų39.80%0.00418%0.181CC..Hα-helixtrans-65.4-41.2177.9-67.3-54.685.9-158-1.7111.3V117 S118 V119 A124 I125 Y131 M207 E281 Y288V117-R121 HydrophobicContact CG1-CG 4.09Å; V117-R121 VanDerWaalsContact O-CG 3.3Å; V117-R121 WeakPolarHBondContact O-CG 3.34Å; V117-R121 PolarHBondContact O-N 3.42Å; S118-R121 PolarHBondContact O-N 3.43Å; V119-R121 PolarHBondContact O-N 3.44Å; R121-A124 PolarHBondContact O-N 2.97Å; R121-I125 WeakPolarHBondContact O-CG1 3.5Å; R121-I125 PolarHBondContact O-N 3.11Å; R121-Y131 PolarHBondContact NH2-OH 2.91Å; R121-M207 HydrophobicContact CB-SD 3.89Å; R121-E281 IonicContact CZ-OE2 3.7Å; R121-E281 IonicContact NH1-OE2 2.65Å; R121-E281 PolarHBondContact NH1-OE2 2.7Å; R121-Y288 HydrophobicContact CG-CD2 4.32Å
122Y92.1Very high91.5Very high65 Ų6543.4 Ų43.426%0.25521%0.206SC..Hα-helixtrans-58.3-48.6172.5175.9-100.8000111.3S118 V119 A124 I125 A126 M207S118-Y122 WeakPolarHBondContact O-CB 3.31Å; S118-Y122 PolarHBondContact O-N 2.84Å; V119-Y122 WeakPolarHBondContact O-CB 3.43Å; V119-Y122 PolarHBondContact O-N 2.87Å; Y122-A124 PolarHBondContact O-N 3.31Å; Y122-I125 PolarHBondContact O-N 2.97Å; Y122-A126 HydrophobicContact CD2-CB 4.39Å; Y122-A126 HydrophobicContact CE1-CB 4.24Å; Y122-A126 HydrophobicContact CE2-CB 4Å; Y122-A126 VanDerWaalsContact O-CB 3.3Å; Y122-A126 WeakPolarHBondContact O-CB 3.39Å; Y122-A126 PolarHBondContact O-N 3.45Å; Y122-M207 HydrophobicContact CD2-CB 4.02Å
123M91.6Very high91Very high61 Ų6151.1 Ų51.130%0.324%0.24SC..Hα-helixtrans-63.3-38.4178.4-69.2-61-124.700113V119 T120 I125 H127 F130V119-M123 HydrophobicContact CG1-CG 4.4Å; V119-M123 VanDerWaalsContact O-CG 3.28Å; V119-M123 WeakPolarHBondContact O-CG 3.33Å; V119-M123 PolarHBondContact O-N 2.64Å; T120-M123 PolarHBondContact O-N 3.07Å; M123-I125 VanDerWaalsContact C-N 3.31Å; M123-I125 PolarHBondContact O-N 3.3Å; M123-H127 CarbonylContact O-C 3.54Å; M123-H127 VanDerWaalsContact O-CA 3.29Å; M123-H127 WeakPolarHBondContact O-CA 3.44Å; M123-H127 PolarHBondContact O-N 3.4Å; M123-H127 HydrophobicContact SD-CB 4.46Å; M123-F130 HydrophobicContact CE-CD1 4.31Å; M123-F130 HydrophobicContact CE-CE1 4.12Å
124A90.5Very high90.5Very high0 Ų059 Ų590%027%0.269CS..Hα-helixtrans-61.3-39.4176.700000112.4T120 R121 Y122 H128 Y131T120-A124 WeakPolarHBondContact O-CB 3.27Å; T120-A124 PolarHBondContact O-N 3.33Å; R121-A124 PolarHBondContact O-N 2.97Å; Y122-A124 PolarHBondContact O-N 3.31Å; A124-H128 WeakPolarHBondContact O-CA 3.25Å; A124-Y131 HydrophobicContact CB-CD1 3.97Å; A124-Y131 HydrophobicContact CB-CD2 3.77Å; A124-Y131 HydrophobicContact CB-CE1 3.99Å; A124-Y131 HydrophobicContact CB-CE2 3.78Å; A124-Y131 HydrophobicContact CB-CG 3.86Å
125I88.8Confident90.2Very high12 Ų1261 Ų616%0.06228%0.279CS..Hα-helixtrans-85.8-47.4-177-63.6175.1000111.8R121 Y122 M123 M207 F210 V211 F278R121-I125 WeakPolarHBondContact O-CG1 3.5Å; R121-I125 PolarHBondContact O-N 3.11Å; Y122-I125 PolarHBondContact O-N 2.97Å; M123-I125 VanDerWaalsContact C-N 3.31Å; M123-I125 PolarHBondContact O-N 3.3Å; I125-M207 HydrophobicContact CD1-CG 4.06Å; I125-M207 HydrophobicContact CD1-SD 3.84Å; I125-F210 HydrophobicContact CG2-CD1 4.09Å; I125-F210 HydrophobicContact CG2-CE1 4.11Å; I125-V211 HydrophobicContact CD1-CG2 4.32Å; I125-V211 HydrophobicContact CG2-CG2 3.65Å; I125-F278 HydrophobicContact CG2-CE2 4.08Å; I125-F278 HydrophobicContact CG2-CZ 4.47Å
126A88.2Confident89.9Confident20 Ų2061.9 Ų61.917%0.16529%0.287CS..Hα-helixtrans-80.9-35.7-17500000113.2Y122 F210Y122-A126 HydrophobicContact CD2-CB 4.39Å; Y122-A126 HydrophobicContact CE1-CB 4.24Å; Y122-A126 HydrophobicContact CE2-CB 4Å; Y122-A126 VanDerWaalsContact O-CB 3.3Å; Y122-A126 WeakPolarHBondContact O-CB 3.39Å; Y122-A126 PolarHBondContact O-N 3.45Å; A126-F210 VanDerWaalsContact CA-CE1 3.45Å; A126-F210 HydrophobicContact CB-CD1 4.14Å; A126-F210 HydrophobicContact CB-CD2 4.44Å; A126-F210 HydrophobicContact CB-CE1 3.79Å; A126-F210 HydrophobicContact CB-CE2 4.09Å; A126-F210 HydrophobicContact CB-CG 4.45Å; A126-F210 HydrophobicContact CB-CZ 3.74Å
127H87.6Confident89.6Confident97 Ų9765.6 Ų65.645%0.44931%0.305SS..  trans-128.650.5-175-61.9-64000111.8M123 R129 F130 Y131M123-H127 CarbonylContact O-C 3.54Å; M123-H127 VanDerWaalsContact O-CA 3.29Å; M123-H127 WeakPolarHBondContact O-CA 3.44Å; M123-H127 PolarHBondContact O-N 3.4Å; M123-H127 HydrophobicContact SD-CB 4.46Å; H127-R129 VanDerWaalsContact C-N 3.26Å; H127-R129 PolarHBondContact O-N 3.47Å; H127-R129 VanDerWaalsContact O-N 3.07Å; H127-F130 HydrophobicContact CB-CB 4.19Å; H127-F130 WeakPolarHBondContact O-CB 3.49Å; H127-F130 PolarHBondContact O-N 2.87Å; H127-Y131 PolarHBondContact O-N 3.46Å
128H84.9Confident89.5Confident48 Ų4870 Ų7022%0.22234%0.335CS..Hα-helixtrans-47-42.8-176.5-175.3-91.4000114.4A124 F130 Y131 S132A124-H128 WeakPolarHBondContact O-CA 3.25Å; H128-F130 VanDerWaalsContact C-N 3.34Å; H128-F130 PolarHBondContact O-N 2.88Å; H128-Y131 PolarHBondContact O-N 2.87Å; H128-S132 WeakPolarHBondContact O-CB 3.27Å; H128-S132 PolarHBondContact O-N 3.43Å
129R84.4Confident89.4Confident220 Ų22072.4 Ų72.483%0.8335%0.35SS*.Hα-helixtrans-62.8-38.3179-74.3-175.1-81.8176.9-5112.9H127H127-R129 VanDerWaalsContact C-N 3.26Å; H127-R129 PolarHBondContact O-N 3.47Å; H127-R129 VanDerWaalsContact O-N 3.07Å
130F87Confident89.4Confident110 Ų11069.9 Ų69.948%0.48233%0.334SS..Hα-helixtrans-73-46.3176.9-179.9-94.4000110.3M123 H127 H128 S132 K133 R134M123-F130 HydrophobicContact CE-CD1 4.31Å; M123-F130 HydrophobicContact CE-CE1 4.12Å; H127-F130 HydrophobicContact CB-CB 4.19Å; H127-F130 WeakPolarHBondContact O-CB 3.49Å; H127-F130 PolarHBondContact O-N 2.87Å; H128-F130 VanDerWaalsContact C-N 3.34Å; H128-F130 PolarHBondContact O-N 2.88Å; F130-S132 PolarHBondContact O-N 3.18Å; F130-K133 PolarHBondContact O-N 3.46Å; F130-R134 HydrophobicContact CD1-CB 4.5Å; F130-R134 HydrophobicContact CD1-CG 4.37Å; F130-R134 HydrophobicContact CD2-CG 4.2Å; F130-R134 HydrophobicContact CE1-CB 4.22Å; F130-R134 HydrophobicContact CE1-CG 4Å; F130-R134 HydrophobicContact CE2-CG 3.83Å; F130-R134 HydrophobicContact CG-CG 4.47Å; F130-R134 HydrophobicContact CZ-CB 4.42Å; F130-R134 HydrophobicContact CZ-CG 3.73Å; F130-R134 WeakPolarHBondContact O-CB 3.13Å; F130-R134 PolarHBondContact O-N 3.13Å
131Y88.3Confident89.4Confident23 Ų2373 Ų739%0.0935%0.353CS..Hα-helixtrans-55.9-51.9177.6174-94.1000112.1P57 T120 R121 A124 H127 H128 K133 R134 M135P57-Y131 WeakPolarHBondContact CD-OH 3.08Å; T120-Y131 HydrophobicContact CG2-CD2 4.45Å; T120-Y131 HydrophobicContact CG2-CE2 3.72Å; R121-Y131 PolarHBondContact NH2-OH 2.91Å; A124-Y131 HydrophobicContact CB-CD1 3.97Å; A124-Y131 HydrophobicContact CB-CD2 3.77Å; A124-Y131 HydrophobicContact CB-CE1 3.99Å; A124-Y131 HydrophobicContact CB-CE2 3.78Å; A124-Y131 HydrophobicContact CB-CG 3.86Å; H127-Y131 PolarHBondContact O-N 3.46Å; H128-Y131 PolarHBondContact O-N 2.87Å; Y131-K133 PolarHBondContact O-N 2.99Å; Y131-R134 PolarHBondContact O-N 3.5Å; Y131-M135 HydrophobicContact CD2-CB 4.02Å; Y131-M135 HydrophobicContact CD2-CG 3.53Å; Y131-M135 HydrophobicContact CE2-CB 3.86Å; Y131-M135 HydrophobicContact CE2-CG 3.5Å; Y131-M135 HydrophobicContact CG-CB 4.5Å; Y131-M135 HydrophobicContact CG-CG 4.37Å; Y131-M135 WeakPolarHBondContact O-CB 3.26Å; Y131-M135 PolarHBondContact O-N 3.49Å
132S83.9Confident89.6Confident78 Ų7875.7 Ų75.755%0.54538%0.376SS..Hα-helixtrans-60.4-30.4-179.1174.30000113.4H128 F130H128-S132 WeakPolarHBondContact O-CB 3.27Å; H128-S132 PolarHBondContact O-N 3.43Å; F130-S132 PolarHBondContact O-N 3.18Å
133K86.4Confident89.8Confident186 Ų18673.9 Ų73.981%0.80937%0.371SS*.Hα-helixtrans-84.9-32.5177.5-72.6-171176.6-169.70114F130 Y131F130-K133 PolarHBondContact O-N 3.46Å; Y131-K133 PolarHBondContact O-N 2.99Å
134R87.1Confident90Very high165 Ų16572.2 Ų72.262%0.62336%0.364SS*.Hα-helixtrans-99-32.2-171.4-76.5-73.9-168.3168.80.4113.6F130 Y131 N136 T139F130-R134 HydrophobicContact CD1-CB 4.5Å; F130-R134 HydrophobicContact CD1-CG 4.37Å; F130-R134 HydrophobicContact CD2-CG 4.2Å; F130-R134 HydrophobicContact CE1-CB 4.22Å; F130-R134 HydrophobicContact CE1-CG 4Å; F130-R134 HydrophobicContact CE2-CG 3.83Å; F130-R134 HydrophobicContact CG-CG 4.47Å; F130-R134 HydrophobicContact CZ-CB 4.42Å; F130-R134 HydrophobicContact CZ-CG 3.73Å; F130-R134 WeakPolarHBondContact O-CB 3.13Å; F130-R134 PolarHBondContact O-N 3.13Å; Y131-R134 PolarHBondContact O-N 3.5Å; R134-N136 PolarHBondContact O-N 2.91Å; R134-T139 PolarHBondContact O-OG1 2.92Å; R134-T139 VanDerWaalsContact O-OG1 3.1Å
135M87.4Confident90.4Very high48 Ų4875.5 Ų75.524%0.23639%0.386CS..  trans-82.790.7-178.5-80.1-61.4-168.300111.1A56 T120 Y131 T139A56-M135 HydrophobicContact CB-CB 4.3Å; T120-M135 HydrophobicContact CG2-CE 3.75Å; Y131-M135 HydrophobicContact CD2-CB 4.02Å; Y131-M135 HydrophobicContact CD2-CG 3.53Å; Y131-M135 HydrophobicContact CE2-CB 3.86Å; Y131-M135 HydrophobicContact CE2-CG 3.5Å; Y131-M135 HydrophobicContact CG-CB 4.5Å; Y131-M135 HydrophobicContact CG-CG 4.37Å; Y131-M135 WeakPolarHBondContact O-CB 3.26Å; Y131-M135 PolarHBondContact O-N 3.49Å; M135-T139 HydrophobicContact SD-CG2 3.81Å
136N90.3Very high90.8Very high85 Ų8578.8 Ų78.846%0.45540%0.402SS..  trans-111.6174.3168.662.316.1000110.5R134 C138 T139 C140R134-N136 PolarHBondContact O-N 2.91Å; N136-C138 VanDerWaalsContact C-N 3.32Å; N136-C138 PolarHBondContact O-N 2.81Å; N136-C138 PolarHBondContact OD1-N 3.39Å; N136-T139 PolarHBondContact O-N 3.28Å; N136-T139 VanDerWaalsContact OD1-CB 3.31Å; N136-T139 WeakPolarHBondContact OD1-CB 3.36Å; N136-T139 PolarHBondContact OD1-N 2.79Å; N136-T139 PolarHBondContact OD1-OG1 2.85Å; N136-C140 PolarHBondContact O-N 3.22Å; N136-C140 PolarHBondContact O-SG 2.96Å
137L90.2Very high91.2Very high96 Ų9677.8 Ų77.850%0.50339%0.394SS..Hα-helixtrans-55.9-45.1180177.661.9000112.2Y59 T139 C140 V141Y59-L137 HydrophobicContact CD2-CD1 4.05Å; Y59-L137 HydrophobicContact CE1-CD1 4.2Å; Y59-L137 HydrophobicContact CE2-CD1 3.64Å; L137-T139 VanDerWaalsContact C-N 3.32Å; L137-T139 PolarHBondContact O-N 3.16Å; L137-C140 WeakPolarHBondContact O-CB 3.23Å; L137-C140 PolarHBondContact O-N 3.2Å; L137-C140 VanDerWaalsContact O-N 3.11Å; L137-V141 HydrophobicContact CD1-CG2 4.11Å; L137-V141 HydrophobicContact CG-CG2 4.38Å; L137-V141 WeakPolarHBondContact O-CG2 3.44Å; L137-V141 PolarHBondContact O-N 3.24Å
138C93.6Very high91.7Very high94 Ų9476.7 Ų76.764%0.63539%0.386SS*.Hα-helixtrans-59.3-42.8179.9-176.30000111.9N136 V141 A142N136-C138 VanDerWaalsContact C-N 3.32Å; N136-C138 PolarHBondContact O-N 2.81Å; N136-C138 PolarHBondContact OD1-N 3.39Å; C138-V141 PolarHBondContact O-N 2.94Å; C138-A142 WeakPolarHBondContact O-CB 3.39Å; C138-A142 PolarHBondContact O-N 3.35Å
139T93.3Very high92.3Very high50 Ų5078.7 Ų78.731%0.30740%0.401SS..Hα-helixtrans-65.1-40.6176.2-55.70000111.3R134 M135 N136 L137 A142 V143R134-T139 PolarHBondContact O-OG1 2.92Å; R134-T139 VanDerWaalsContact O-OG1 3.1Å; M135-T139 HydrophobicContact SD-CG2 3.81Å; N136-T139 PolarHBondContact O-N 3.28Å; N136-T139 VanDerWaalsContact OD1-CB 3.31Å; N136-T139 WeakPolarHBondContact OD1-CB 3.36Å; N136-T139 PolarHBondContact OD1-N 2.79Å; N136-T139 PolarHBondContact OD1-OG1 2.85Å; L137-T139 VanDerWaalsContact C-N 3.32Å; L137-T139 PolarHBondContact O-N 3.16Å; T139-A142 PolarHBondContact O-N 3.27Å; T139-V143 WeakPolarHBondContact O-CG2 3.49Å; T139-V143 PolarHBondContact O-N 3.31Å
140C94.3Very high92.8Very high1 Ų171.4 Ų71.41%0.00738%0.379CS..Hα-helixtrans-62.9-45.7176.6-60.80000111.3A56 Y59 F60 N136 L137 V143 I144A56-C140 VanDerWaalsContact CB-SG 3.54Å; Y59-C140 HydrophobicContact CD2-CB 4.18Å; F60-C140 HydrophobicContact CE1-CB 4.44Å; F60-C140 HydrophobicContact CZ-CB 4.25Å; N136-C140 PolarHBondContact O-N 3.22Å; N136-C140 PolarHBondContact O-SG 2.96Å; L137-C140 WeakPolarHBondContact O-CB 3.23Å; L137-C140 PolarHBondContact O-N 3.2Å; L137-C140 VanDerWaalsContact O-N 3.11Å; C140-V143 PolarHBondContact O-N 3.06Å; C140-I144 WeakPolarHBondContact O-CG1 3.31Å; C140-I144 PolarHBondContact O-N 3.5Å
141V94.9Very high93.2Very high73 Ų7366.2 Ų66.244%0.44236%0.356SS..Hα-helixtrans-61.6-44.2176172.80000110.8L137 C138 V143 I144 C145L137-V141 HydrophobicContact CD1-CG2 4.11Å; L137-V141 HydrophobicContact CG-CG2 4.38Å; L137-V141 WeakPolarHBondContact O-CG2 3.44Å; L137-V141 PolarHBondContact O-N 3.24Å; C138-V141 PolarHBondContact O-N 2.94Å; V141-V143 VanDerWaalsContact C-N 3.34Å; V141-V143 PolarHBondContact O-N 3.1Å; V141-I144 PolarHBondContact O-N 3.27Å; V141-C145 WeakPolarHBondContact O-CB 3.36Å; V141-C145 PolarHBondContact O-N 3.12Å; V141-C145 PolarHBondContact O-SG 2.94Å
142A96.4Very high93.5Very high58 Ų5868 Ų6848%0.47937%0.369SS..Hα-helixtrans-60.3-41.7176.700000112.4C138 T139 C145 M146C138-A142 WeakPolarHBondContact O-CB 3.39Å; C138-A142 PolarHBondContact O-N 3.35Å; T139-A142 PolarHBondContact O-N 3.27Å; A142-C145 PolarHBondContact O-N 3.26Å; A142-M146 WeakPolarHBondContact O-CB 3.5Å; A142-M146 PolarHBondContact O-N 3.45Å
143V96.3Very high93.9Very high26 Ų2667 Ų6716%0.15837%0.365CS..Hα-helixtrans-63.2-45.2174.5170.40000110.9F60 C116 T139 C140 V141 M146 V147F60-V143 HydrophobicContact CE1-CB 4.06Å; F60-V143 HydrophobicContact CE1-CG1 3.74Å; F60-V143 HydrophobicContact CZ-CB 4.34Å; F60-V143 HydrophobicContact CZ-CG1 4.13Å; C116-V143 HydrophobicContact CB-CG1 3.88Å; T139-V143 WeakPolarHBondContact O-CG2 3.49Å; T139-V143 PolarHBondContact O-N 3.31Å; C140-V143 PolarHBondContact O-N 3.06Å; V141-V143 VanDerWaalsContact C-N 3.34Å; V141-V143 PolarHBondContact O-N 3.1Å; V143-M146 HydrophobicContact CG1-CE 4.22Å; V143-M146 PolarHBondContact O-N 2.49Å; V143-V147 HydrophobicContact CG1-CG2 4.5Å; V143-V147 WeakPolarHBondContact O-CG2 3.28Å; V143-V147 PolarHBondContact O-N 3.32Å
144I97.1Very high94.1Very high27 Ų2760.8 Ų60.814%0.13834%0.34CS..Hα-helixtrans-60.9-48.4177.4-70.1164.6000110.5F60 D63 C140 V141 M146 V147 W148F60-I144 HydrophobicContact CD1-CD1 4.32Å; F60-I144 HydrophobicContact CD1-CG1 4.02Å; F60-I144 HydrophobicContact CE1-CG1 4.1Å; D63-I144 HydrophobicContact CB-CD1 4.08Å; D63-I144 HydrophobicContact CB-CG1 4.3Å; D63-I144 HydrophobicContact CB-CG2 4.5Å; D63-I144 WeakPolarHBondContact OD1-CG2 3.37Å; C140-I144 WeakPolarHBondContact O-CG1 3.31Å; C140-I144 PolarHBondContact O-N 3.5Å; V141-I144 PolarHBondContact O-N 3.27Å; I144-M146 VanDerWaalsContact C-N 3.32Å; I144-M146 PolarHBondContact O-N 3.24Å; I144-V147 WeakPolarHBondContact O-CB 3.23Å; I144-V147 PolarHBondContact O-N 3.12Å; I144-V147 VanDerWaalsContact O-N 3.1Å; I144-W148 VanDerWaalsContact O-CD1 3.26Å; I144-W148 PolarHBondContact O-N 2.88Å
145C97.4Very high94.1Very high69 Ų6952.9 Ų52.947%0.46631%0.31SS..Hα-helixtrans-57.9-44.1176.6-69.50000111.9V141 A142 V147 W148 T149V141-C145 WeakPolarHBondContact O-CB 3.36Å; V141-C145 PolarHBondContact O-N 3.12Å; V141-C145 PolarHBondContact O-SG 2.94Å; A142-C145 PolarHBondContact O-N 3.26Å; C145-V147 VanDerWaalsContact C-N 3.34Å; C145-V147 PolarHBondContact O-N 3.26Å; C145-W148 PolarHBondContact O-N 2.85Å; C145-T149 WeakPolarHBondContact O-CG2 3.36Å; C145-T149 PolarHBondContact O-N 3.35Å; C145-T149 PolarHBondContact O-OG1 3.24Å
146M97.4Very high94.1Very high80 Ų8054.9 Ų54.939%0.39432%0.318SS..Hα-helixtrans-61.3-41175.1175.9-152.963.300111.9C116 A142 V143 I144 T149 L150C116-M146 VanDerWaalsContact SG-CE 3.58Å; A142-M146 WeakPolarHBondContact O-CB 3.5Å; A142-M146 PolarHBondContact O-N 3.45Å; V143-M146 HydrophobicContact CG1-CE 4.22Å; V143-M146 PolarHBondContact O-N 2.49Å; I144-M146 VanDerWaalsContact C-N 3.32Å; I144-M146 PolarHBondContact O-N 3.24Å; M146-T149 WeakPolarHBondContact CA-OG1 3.47Å; M146-T149 PolarHBondContact O-N 3.11Å; M146-T149 PolarHBondContact O-OG1 3.06Å; M146-L150 HydrophobicContact CG-CD1 3.99Å; M146-L150 HydrophobicContact CG-CG 4.46Å; M146-L150 WeakPolarHBondContact O-CB 3.32Å; M146-L150 VanDerWaalsContact O-CG 3.27Å; M146-L150 WeakPolarHBondContact O-CG 3.24Å; M146-L150 PolarHBondContact O-N 3.04Å; M146-L150 HydrophobicContact SD-CD1 4.44Å
147V97.9Very high93.9Very high0 Ų052.8 Ų52.80%031%0.309CS..Hα-helixtrans-63.1-45.8176.61690000110.6F112 L113 C116 V143 I144 C145 T149 L150 S151F112-V147 HydrophobicContact CB-CG1 3.89Å; F112-V147 HydrophobicContact CB-CG2 4.42Å; L113-V147 HydrophobicContact CB-CG1 4.08Å; C116-V147 HydrophobicContact CB-CG2 4.36Å; V143-V147 HydrophobicContact CG1-CG2 4.5Å; V143-V147 WeakPolarHBondContact O-CG2 3.28Å; V143-V147 PolarHBondContact O-N 3.32Å; I144-V147 WeakPolarHBondContact O-CB 3.23Å; I144-V147 PolarHBondContact O-N 3.12Å; I144-V147 VanDerWaalsContact O-N 3.1Å; C145-V147 VanDerWaalsContact C-N 3.34Å; C145-V147 PolarHBondContact O-N 3.26Å; V147-T149 PolarHBondContact O-N 2.73Å; V147-L150 PolarHBondContact O-N 3.36Å; V147-S151 WeakPolarHBondContact O-CB 3.28Å; V147-S151 PolarHBondContact O-N 3.16Å; V147-S151 PolarHBondContact O-OG 3.41Å
148W97.8Very high93.3Very high73 Ų7348.4 Ų48.428%0.27729%0.286SS..Hα-helixtrans-60-45.5176.1-82.9101.9000112.5D63 L105 F106 H109 I144 C145 S151 V152D63-W148 PolarHBondContact OD1-NE1 3.43Å; D63-W148 VanDerWaalsContact OD1-NE1 3.14Å; L105-W148 HydrophobicContact CD2-CZ3 4.21Å; L105-W148 HydrophobicContact CG-CZ3 4.45Å; F106-W148 HydrophobicContact CD1-CH2 4.39Å; F106-W148 AromaticContact CE1-CH2 3.89Å; F106-W148 HydrophobicContact CE1-CH2 3.89Å; F106-W148 HydrophobicContact CE1-CZ3 4.4Å; H109-W148 AromaticContact CE1-CD1 3.76Å; H109-W148 AromaticContact CE1-CD2 3.94Å; H109-W148 AromaticContact CE1-CE2 3.41Å; H109-W148 VanDerWaalsContact CE1-CE2 3.41Å; H109-W148 AromaticContact CE1-CZ2 3.82Å; H109-W148 AromaticContact CE1-NE1 3.26Å; H109-W148 PolarHBondContact CE1-NE1 3.5Å; H109-W148 VanDerWaalsContact CE1-NE1 3.26Å; H109-W148 AromaticContact ND1-CD2 3.68Å; H109-W148 AromaticContact ND1-CE2 3.6Å; H109-W148 AromaticContact ND1-CG 3.98Å; H109-W148 AromaticContact ND1-NE1 3.79Å; I144-W148 VanDerWaalsContact O-CD1 3.26Å; I144-W148 PolarHBondContact O-N 2.88Å; C145-W148 PolarHBondContact O-N 2.85Å; W148-S151 PolarHBondContact O-N 3.47Å; W148-V152 WeakPolarHBondContact O-CG2 3.36Å; W148-V152 PolarHBondContact O-N 3.09Å
149T97Very high92.6Very high90 Ų9046.4 Ų46.455%0.55227%0.271SS*.Hα-helixtrans-65.6-43.1179.755.70000112.3C145 M146 V147 S151 V152 A153C145-T149 WeakPolarHBondContact O-CG2 3.36Å; C145-T149 PolarHBondContact O-N 3.35Å; C145-T149 PolarHBondContact O-OG1 3.24Å; M146-T149 WeakPolarHBondContact CA-OG1 3.47Å; M146-T149 PolarHBondContact O-N 3.11Å; M146-T149 PolarHBondContact O-OG1 3.06Å; V147-T149 PolarHBondContact O-N 2.73Å; T149-S151 VanDerWaalsContact C-N 3.3Å; T149-S151 PolarHBondContact O-N 2.96Å; T149-V152 PolarHBondContact O-N 3.28Å; T149-A153 WeakPolarHBondContact O-CB 3.34Å; T149-A153 PolarHBondContact O-N 2.74Å
150L95.3Very high91.7Very high68 Ų6850.4 Ų50.436%0.35628%0.284SS..Hα-helixtrans-61.8-39.6174.7-72.8172.5000111.7F112 M146 V147 A153 M154F112-L150 HydrophobicContact CD2-CB 4.22Å; F112-L150 HydrophobicContact CE2-CB 4.12Å; F112-L150 HydrophobicContact CZ-CB 4.44Å; M146-L150 HydrophobicContact CG-CD1 3.99Å; M146-L150 HydrophobicContact CG-CG 4.46Å; M146-L150 WeakPolarHBondContact O-CB 3.32Å; M146-L150 VanDerWaalsContact O-CG 3.27Å; M146-L150 WeakPolarHBondContact O-CG 3.24Å; M146-L150 PolarHBondContact O-N 3.04Å; M146-L150 HydrophobicContact SD-CD1 4.44Å; V147-L150 PolarHBondContact O-N 3.36Å; L150-A153 PolarHBondContact O-N 2.91Å; L150-M154 VanDerWaalsContact O-CG 3.29Å; L150-M154 WeakPolarHBondContact O-CG 3.25Å; L150-M154 PolarHBondContact O-N 3.09Å
151S95.9Very high90.4Very high0 Ų055.4 Ų55.40%031%0.311CS..Hα-helixtrans-66.9-42.6179.7-53.10000111.8H109 V147 W148 T149 M154 A155H109-S151 WeakPolarHBondContact CA-OG 3.3Å; H109-S151 PolarHBondContact N-OG 3.21Å; V147-S151 WeakPolarHBondContact O-CB 3.28Å; V147-S151 PolarHBondContact O-N 3.16Å; V147-S151 PolarHBondContact O-OG 3.41Å; W148-S151 PolarHBondContact O-N 3.47Å; T149-S151 VanDerWaalsContact C-N 3.3Å; T149-S151 PolarHBondContact O-N 2.96Å; S151-M154 PolarHBondContact O-N 2.9Å; S151-A155 WeakPolarHBondContact O-CB 3.22Å; S151-A155 PolarHBondContact O-N 3.22Å
152V94.5Very high88.7Confident60 Ų6055.2 Ų55.236%0.36431%0.31SS..Hα-helixtrans-62.4-47.7173.4171.90000110.3L105 W148 T149 M154 A155 F156L105-V152 HydrophobicContact CD1-CB 4.31Å; L105-V152 HydrophobicContact CD1-CG2 3.6Å; W148-V152 WeakPolarHBondContact O-CG2 3.36Å; W148-V152 PolarHBondContact O-N 3.09Å; T149-V152 PolarHBondContact O-N 3.28Å; V152-M154 PolarHBondContact O-N 3.39Å; V152-M154 VanDerWaalsContact O-N 3.16Å; V152-A155 PolarHBondContact O-N 3.37Å; V152-A155 VanDerWaalsContact O-N 3.12Å; V152-F156 VanDerWaalsContact O-CB 3.28Å; V152-F156 WeakPolarHBondContact O-CB 3.27Å; V152-F156 PolarHBondContact O-N 3Å
153A92.4Very high87Confident57 Ų5753 Ų5347%0.47129%0.293SS..Hα-helixtrans-56.6-33.5179.100000112.6T149 L150 P157T149-A153 WeakPolarHBondContact O-CB 3.34Å; T149-A153 PolarHBondContact O-N 2.74Å; L150-A153 PolarHBondContact O-N 2.91Å; A153-P157 WeakPolarHBondContact O-CD 3.28Å
154M88.6Confident85.9Confident56 Ų5653.3 Ų53.328%0.27629%0.294SS..Hα-helixtrans-83.5-31.4177.3-65.8-52.2178.500114.1F108 F112 L150 S151 V152 P157 F189 M192F108-M154 HydrophobicContact CD1-CB 4.44Å; F108-M154 HydrophobicContact CD2-CB 4.11Å; F108-M154 HydrophobicContact CE2-CB 4.34Å; F108-M154 HydrophobicContact CG-CB 4.17Å; F112-M154 HydrophobicContact CE2-CG 3.97Å; F112-M154 HydrophobicContact CZ-CG 4.08Å; L150-M154 VanDerWaalsContact O-CG 3.29Å; L150-M154 WeakPolarHBondContact O-CG 3.25Å; L150-M154 PolarHBondContact O-N 3.09Å; S151-M154 PolarHBondContact O-N 2.9Å; V152-M154 PolarHBondContact O-N 3.39Å; V152-M154 VanDerWaalsContact O-N 3.16Å; M154-P157 WeakPolarHBondContact O-CD 3.5Å; M154-F189 WeakPolarHBondContact O-CE1 3.39Å; M154-M192 HydrophobicContact CB-CE 3.73Å; M154-M192 HydrophobicContact CE-CE 4.12Å; M154-M192 HydrophobicContact CE-SD 3.33Å; M154-M192 WeakPolarHBondContact CE-SD 3.42Å; M154-M192 HydrophobicContact CG-CE 3.38Å; M154-M192 HydrophobicContact CG-SD 3.94Å; M154-M192 HydrophobicContact SD-CE 3.38Å; M154-M192 WeakPolarHBondContact SD-CE 3.47Å; M154-M192 HydrophobicContact SD-SD 3.32Å
155A89.1Confident85.3Confident0 Ų052.4 Ų52.40%029%0.29CS..Hα-helixtrans-81.8-1817900000113.6F101 V104 L105 S151 V152 Y165F101-A155 HydrophobicContact CD2-CB 3.93Å; F101-A155 WeakPolarHBondContact CD2-O 3.21Å; F101-A155 HydrophobicContact CE2-CB 3.66Å; F101-A155 HydrophobicContact CZ-CB 4.43Å; V104-A155 HydrophobicContact CG1-CB 4.05Å; L105-A155 HydrophobicContact CB-CB 4.03Å; L105-A155 HydrophobicContact CD1-CB 4.46Å; S151-A155 WeakPolarHBondContact O-CB 3.22Å; S151-A155 PolarHBondContact O-N 3.22Å; V152-A155 PolarHBondContact O-N 3.37Å; V152-A155 VanDerWaalsContact O-N 3.12Å; A155-Y165 PolarHBondContact O-OH 2.99Å
156F87.4Confident84.8Confident90 Ų9053.5 Ų53.540%0.39529%0.286SS..SBendtrans-76.8-36.7-172.2-155.8-123.1000116.4F101 V152 V159 F160F101-F156 HydrophobicContact CE2-CD2 4.14Å; V152-F156 VanDerWaalsContact O-CB 3.28Å; V152-F156 WeakPolarHBondContact O-CB 3.27Å; V152-F156 PolarHBondContact O-N 3Å; F156-V159 HydrophobicContact CD2-CG2 4.31Å; F156-V159 WeakPolarHBondContact O-CB 3.47Å; F156-V159 WeakPolarHBondContact O-CG2 3.45Å; F156-V159 PolarHBondContact O-N 2.82Å; F156-F160 HydrophobicContact CD1-CD2 4.11Å; F156-F160 AromaticContact CD1-CE2 3.42Å; F156-F160 HydrophobicContact CD1-CE2 3.42Å; F156-F160 VanDerWaalsContact CD1-CE2 3.42Å; F156-F160 HydrophobicContact CD1-CZ 4.18Å; F156-F160 HydrophobicContact CE1-CD2 4.08Å; F156-F160 AromaticContact CE1-CE2 3.03Å; F156-F160 HydrophobicContact CE1-CE2 3.03Å; F156-F160 AromaticContact CE1-CZ 3.34Å; F156-F160 HydrophobicContact CE1-CZ 3.34Å; F156-F160 HydrophobicContact CG-CE2 4.48Å; F156-F160 AromaticContact CZ-CE2 3.81Å; F156-F160 HydrophobicContact CZ-CE2 3.81Å; F156-F160 AromaticContact CZ-CZ 3.71Å; F156-F160 HydrophobicContact CZ-CZ 3.71Å
157P84.3Confident84.3Confident40 Ų4051.8 Ų51.826%0.2628%0.277SS..G310 helixtrans-58.5-37.6-173.6-21.229.6000115.3A153 M154 V159 F160 V162 F189A153-P157 WeakPolarHBondContact O-CD 3.28Å; M154-P157 WeakPolarHBondContact O-CD 3.5Å; P157-V159 PolarHBondContact O-N 3.36Å; P157-V159 VanDerWaalsContact O-N 3.12Å; P157-F160 PolarHBondContact O-N 3.49Å; P157-F160 VanDerWaalsContact O-N 3.1Å; P157-V162 HydrophobicContact CB-CB 4.49Å; P157-F189 HydrophobicContact CB-CZ 3.79Å; P157-F189 HydrophobicContact CG-CE1 4.2Å; P157-F189 HydrophobicContact CG-CZ 3.86Å
158P78.6Confident83.7Confident5 Ų552.5 Ų52.53%0.03228%0.281CS..G310 helixtrans-65.9-9.5174.2-21.633.6000114.9G163 Y165 F176 F189P158-G163 WeakPolarHBondContact CA-O 3.48Å; P158-Y165 HydrophobicContact CB-CD1 4.39Å; P158-Y165 HydrophobicContact CB-CD2 4.09Å; P158-Y165 HydrophobicContact CB-CE1 3.98Å; P158-Y165 HydrophobicContact CB-CE2 3.66Å; P158-Y165 HydrophobicContact CB-CG 4.43Å; P158-Y165 HydrophobicContact CG-CE1 4.43Å; P158-Y165 HydrophobicContact CG-CE2 4.46Å; P158-F176 HydrophobicContact CB-CD2 3.76Å; P158-F176 HydrophobicContact CB-CE2 3.71Å; P158-F176 HydrophobicContact CG-CD2 3.78Å; P158-F176 HydrophobicContact CG-CE2 3.61Å; P158-F189 HydrophobicContact CG-CE2 4.18Å; P158-F189 HydrophobicContact CG-CZ 4.19Å
159V78Confident82.9Confident51 Ų5152.1 Ų52.131%0.30929%0.288SS..G310 helixtrans-74.8-31.4172.9-176.50000111.2F101 F156 P157 D161 Y165F101-V159 HydrophobicContact CD2-CG2 3.81Å; F101-V159 HydrophobicContact CE2-CG2 4.49Å; F101-V159 HydrophobicContact CG-CG2 4.47Å; F156-V159 HydrophobicContact CD2-CG2 4.31Å; F156-V159 WeakPolarHBondContact O-CB 3.47Å; F156-V159 WeakPolarHBondContact O-CG2 3.45Å; F156-V159 PolarHBondContact O-N 2.82Å; P157-V159 PolarHBondContact O-N 3.36Å; P157-V159 VanDerWaalsContact O-N 3.12Å; V159-D161 VanDerWaalsContact C-N 3.3Å; V159-D161 PolarHBondContact O-N 2.99Å; V159-Y165 HydrophobicContact CG2-CD2 4.37Å; V159-Y165 HydrophobicContact CG2-CE2 3.82Å
160F75.4Confident82.2Confident134 Ų13451.9 Ų51.959%0.58828%0.281SS*.G310 helixtrans-93.226.8177.7-63.4-63.4000113.4F156 P157 V162F156-F160 HydrophobicContact CD1-CD2 4.11Å; F156-F160 AromaticContact CD1-CE2 3.42Å; F156-F160 HydrophobicContact CD1-CE2 3.42Å; F156-F160 VanDerWaalsContact CD1-CE2 3.42Å; F156-F160 HydrophobicContact CD1-CZ 4.18Å; F156-F160 HydrophobicContact CE1-CD2 4.08Å; F156-F160 AromaticContact CE1-CE2 3.03Å; F156-F160 HydrophobicContact CE1-CE2 3.03Å; F156-F160 AromaticContact CE1-CZ 3.34Å; F156-F160 HydrophobicContact CE1-CZ 3.34Å; F156-F160 HydrophobicContact CG-CE2 4.48Å; F156-F160 AromaticContact CZ-CE2 3.81Å; F156-F160 HydrophobicContact CZ-CE2 3.81Å; F156-F160 AromaticContact CZ-CZ 3.71Å; F156-F160 HydrophobicContact CZ-CZ 3.71Å; P157-F160 PolarHBondContact O-N 3.49Å; P157-F160 VanDerWaalsContact O-N 3.1Å; F160-V162 PolarHBondContact O-N 2.95Å
161D67.5Low81.6Confident106 Ų10648.8 Ų48.857%0.56726%0.264SS*.THydrogen-bonded Turntrans62.718.5178.6-57-52.6000115.2K97 V159 G163K97-D161 IonicContact NZ-OD1 3.72Å; V159-D161 VanDerWaalsContact C-N 3.3Å; V159-D161 PolarHBondContact O-N 2.99Å; D161-G163 PolarHBondContact O-N 2.9Å
162V58.3Low81Confident69 Ų6949.2 Ų49.242%0.41827%0.266SS..SBendtrans-79.352.3165.9-167.40000109.9P157 F160 D185P157-V162 HydrophobicContact CB-CB 4.49Å; F160-V162 PolarHBondContact O-N 2.95Å; V162-D185 HydrophobicContact CG1-CB 4.22Å
163G59.9Low80.6Confident12 Ų1247 Ų4712%0.12425%0.252CS..SBendtrans111141.6-16200000111.1P158 D161P158-G163 WeakPolarHBondContact CA-O 3.48Å; D161-G163 PolarHBondContact O-N 2.9Å
164T74.3Confident80.3Confident32 Ų3244.3 Ų44.320%0.19623%0.23CC..  trans-109.4116.5-168.550.40000112.6K166 E177 R179T164-K166 PolarHBondContact O-N 3.47Å; T164-E177 VanDerWaalsContact O-CB 3.29Å; T164-E177 WeakPolarHBondContact O-CB 3.31Å; T164-E177 PolarHBondContact O-N 2.85Å; T164-E177 VanDerWaalsContact O-N 3.17Å; T164-E177 PolarHBondContact OG1-OE2 3.48Å; T164-R179 PolarHBondContact OG1-NH2 3.21Å
165Y84.9Confident80.1Confident9 Ų942.2 Ų42.24%0.03522%0.22CC..EExtended strand (participates in β ladder)trans-65.5121.5163-72-47.3000109.9A100 F101 V104 A155 P158 V159 F176A100-Y165 HydrophobicContact CB-CD1 3.44Å; A100-Y165 VanDerWaalsContact CB-CD1 3.44Å; A100-Y165 HydrophobicContact CB-CD2 4.37Å; A100-Y165 HydrophobicContact CB-CE1 4.06Å; A100-Y165 HydrophobicContact CB-CG 3.64Å; F101-Y165 HydrophobicContact CB-CE2 4.02Å; V104-Y165 HydrophobicContact CG2-CE1 3.94Å; A155-Y165 PolarHBondContact O-OH 2.99Å; P158-Y165 HydrophobicContact CB-CD1 4.39Å; P158-Y165 HydrophobicContact CB-CD2 4.09Å; P158-Y165 HydrophobicContact CB-CE1 3.98Å; P158-Y165 HydrophobicContact CB-CE2 3.66Å; P158-Y165 HydrophobicContact CB-CG 4.43Å; P158-Y165 HydrophobicContact CG-CE1 4.43Å; P158-Y165 HydrophobicContact CG-CE2 4.46Å; V159-Y165 HydrophobicContact CG2-CD2 4.37Å; V159-Y165 HydrophobicContact CG2-CE2 3.82Å; Y165-F176 HydrophobicContact CD1-CB 4.26Å; Y165-F176 HydrophobicContact CD1-CD2 4.37Å; Y165-F176 HydrophobicContact CE1-CB 4.15Å; Y165-F176 HydrophobicContact CE1-CD2 4.21Å
166K85.4Confident79.5Confident91 Ų9143 Ų4340%0.39622%0.223SC..EExtended strand (participates in β ladder)trans-143.9160.2-179.9-69.6-166.9-171.41620111.1T164 T175 E177T164-K166 PolarHBondContact O-N 3.47Å; K166-T175 PolarHBondContact N-O 3.34Å; K166-T175 PolarHBondContact O-N 3.23Å; K166-E177 VanDerWaalsContact CD-OE2 3.29Å; K166-E177 WeakPolarHBondContact CD-OE2 3.47Å; K166-E177 VanDerWaalsContact CE-OE2 3.25Å; K166-E177 WeakPolarHBondContact CE-OE2 3.5Å; K166-E177 IonicContact NZ-OE2 2.9Å; K166-E177 PolarHBondContact NZ-OE2 3.45Å
167F87Confident78.8Confident44 Ų4441 Ų4119%0.19322%0.216CC..EExtended strand (participates in β ladder)trans-72.3126.7168.3-178.8-109000109.4S82 S87 W89 C96 P169S82-F167 WeakPolarHBondContact OG-CE2 3.41Å; S82-F167 VanDerWaalsContact OG-CZ 3.28Å; S82-F167 WeakPolarHBondContact OG-CZ 3.31Å; S87-F167 WeakPolarHBondContact O-CE1 3.41Å; S87-F167 WeakPolarHBondContact O-CZ 3.16Å; W89-F167 HydrophobicContact CB-CB 4.27Å; W89-F167 HydrophobicContact CB-CD1 4.3Å; W89-F167 HydrophobicContact CB-CD2 3.96Å; W89-F167 HydrophobicContact CB-CE2 4.41Å; W89-F167 HydrophobicContact CB-CG 3.89Å; W89-F167 HydrophobicContact CE3-CD2 4.13Å; W89-F167 HydrophobicContact CE3-CE2 4.39Å; C96-F167 PolarHBondContact SG-N 3.04Å; F167-P169 HydrophobicContact CD1-CG 4.16Å; F167-P169 HydrophobicContact CE1-CB 4.15Å; F167-P169 HydrophobicContact CE1-CG 3.96Å
168V85.4Confident78Confident16 Ų1640.4 Ų40.410%0.09721%0.209CC..EExtended strand (participates in β ladder)trans-110104.2177.3178.70000107E170 E171 E172 Q173 T175V168-E170 WeakPolarHBondContact CG1-OE2 3.48Å; V168-E170 PolarHBondContact O-N 3.29Å; V168-E171 HydrophobicContact CB-CB 4.3Å; V168-E171 HydrophobicContact CG1-CB 4.15Å; V168-E171 HydrophobicContact CG1-CG 3.93Å; V168-E171 PolarHBondContact O-N 3.18Å; V168-E172 PolarHBondContact O-N 3.44Å; V168-Q173 PolarHBondContact N-O 3.42Å; V168-Q173 VanDerWaalsContact N-O 3.09Å; V168-T175 HydrophobicContact CB-CG2 4.2Å; V168-T175 HydrophobicContact CG2-CG2 3.68Å
169P82.6Confident77.3Confident65 Ų6545.1 Ų45.142%0.42223%0.226SC..G310 helixtrans-57.2-34.4-174.9-25.534.3000113.3F167 E171 E172F167-P169 HydrophobicContact CD1-CG 4.16Å; F167-P169 HydrophobicContact CE1-CB 4.15Å; F167-P169 HydrophobicContact CE1-CG 3.96Å; P169-E171 VanDerWaalsContact C-N 3.27Å; P169-E171 PolarHBondContact O-N 3.32Å; P169-E172 WeakPolarHBondContact O-CG 3.4Å; P169-E172 PolarHBondContact O-N 2.94Å
170E81.6Confident76.5Confident85 Ų8547.9 Ų47.940%0.39723%0.232SC..G310 helixtrans-71.1-22.9-179.2-53.580.7-177.600112.8V168 L322V168-E170 WeakPolarHBondContact CG1-OE2 3.48Å; V168-E170 PolarHBondContact O-N 3.29Å; E170-L322 HydrophobicContact CB-CD2 3.53Å; E170-L322 WeakPolarHBondContact O-CD2 3.43Å
171E81.5Confident75.6Confident2 Ų244 Ų441%0.00922%0.219CC..G310 helixtrans-101.4-6.6174.8-62.7-175.6-148.700112.6V168 P169 Q173 Y302 R309 L322 V326V168-E171 HydrophobicContact CB-CB 4.3Å; V168-E171 HydrophobicContact CG1-CB 4.15Å; V168-E171 HydrophobicContact CG1-CG 3.93Å; V168-E171 PolarHBondContact O-N 3.18Å; P169-E171 VanDerWaalsContact C-N 3.27Å; P169-E171 PolarHBondContact O-N 3.32Å; E171-Q173 HydrophobicContact CB-CG 3.8Å; E171-Q173 PolarHBondContact O-N 3.01Å; E171-Q173 PolarHBondContact OE2-NE2 3.25Å; E171-Y302 WeakPolarHBondContact OE2-CE2 3.4Å; E171-Y302 PolarHBondContact OE2-OH 2.94Å; E171-R309 IonicContact OE1-CZ 3.8Å; E171-R309 IonicContact OE1-NH1 2.68Å; E171-R309 PolarHBondContact OE1-NH1 2.97Å; E171-L322 HydrophobicContact CG-CD1 4.12Å; E171-L322 HydrophobicContact CG-CD2 4.1Å; E171-L322 HydrophobicContact CG-CG 4.27Å; E171-V326 HydrophobicContact CB-CG2 4.23Å; E171-V326 HydrophobicContact CG-CG2 4.05Å
172E83.9Confident74.9Confident10 Ų1048.8 Ų48.85%0.04724%0.235CC..THydrogen-bonded Turntrans54.125.5-179.1-59.2171.5150.600113.3K25 I83 S87 V168 P169 W327K25-E172 VanDerWaalsContact CD-OE2 3.31Å; K25-E172 WeakPolarHBondContact CD-OE2 3.49Å; K25-E172 IonicContact NZ-OE1 2.82Å; K25-E172 PolarHBondContact NZ-OE1 3.47Å; K25-E172 IonicContact NZ-OE2 3.33Å; K25-E172 PolarHBondContact NZ-OE2 3.2Å; I83-E172 HydrophobicContact CG1-CB 4.02Å; I83-E172 HydrophobicContact CG1-CG 4.46Å; S87-E172 PolarHBondContact OG-OE1 3.09Å; V168-E172 PolarHBondContact O-N 3.44Å; P169-E172 WeakPolarHBondContact O-CG 3.4Å; P169-E172 PolarHBondContact O-N 2.94Å; E172-W327 WeakPolarHBondContact OE2-CH2 3.16Å
173Q87.3Confident74.8Confident13 Ų1347.7 Ų47.76%0.06123%0.231CC..EExtended strand (participates in β ladder)trans-142.6155.8-177.467.6-179-19.900111.7V79 V168 E171 T175 F330V79-Q173 HydrophobicContact CG2-CB 3.97Å; V168-Q173 PolarHBondContact N-O 3.42Å; V168-Q173 VanDerWaalsContact N-O 3.09Å; E171-Q173 HydrophobicContact CB-CG 3.8Å; E171-Q173 PolarHBondContact O-N 3.01Å; E171-Q173 PolarHBondContact OE2-NE2 3.25Å; Q173-T175 HydrophobicContact CG-CG2 4.45Å; Q173-T175 PolarHBondContact O-N 3.03Å; Q173-F330 VanDerWaalsContact OE1-CZ 3.32Å
174C85.6Confident74.7Confident1 Ų153.8 Ų53.81%0.00726%0.26CS..EExtended strand (participates in β ladder)trans-80.3115167.4-71.80000109.4W89 C96 A100W89-C174 VanDerWaalsContact CD2-SG 3.6Å; W89-C174 VanDerWaalsContact CE3-SG 3.58Å; C96-C174 WeakPolarHBondContact CA-SG 3.19Å; C96-C174 HydrophobicContact CB-CB 4.04Å; C96-C174 WeakPolarHBondContact CB-SG 3.32Å; C96-C174 VanDerWaalsContact O-CB 3.31Å; C96-C174 WeakPolarHBondContact O-CB 3.41Å; C96-C174 WeakPolarHBondContact SG-CB 3.31Å; C96-C174 CovalentContact SG-SG 2.03Å; C96-C174 PolarHBondContact SG-SG 3.31Å; A100-C174 VanDerWaalsContact CA-O 3.31Å; A100-C174 WeakPolarHBondContact CA-O 3.39Å; A100-C174 HydrophobicContact CB-CB 4.08Å; A100-C174 WeakPolarHBondContact CB-O 3.23Å
175T83.3Confident74.1Confident12 Ų1255.1 Ų55.17%0.07427%0.266CS..EExtended strand (participates in β ladder)trans-141.3-179.3-178.6-1690000110.5K166 V168 Q173K166-T175 PolarHBondContact N-O 3.34Å; K166-T175 PolarHBondContact O-N 3.23Å; V168-T175 HydrophobicContact CB-CG2 4.2Å; V168-T175 HydrophobicContact CG2-CG2 3.68Å; Q173-T175 HydrophobicContact CG-CG2 4.45Å; Q173-T175 PolarHBondContact O-N 3.03Å
176F76.6Confident73.3Confident15 Ų1554.9 Ų54.97%0.06627%0.266CS..EExtended strand (participates in β ladder)trans-72.1125.9174.7-175.2-99.6000110.6P158 Y165 H178 T186 F189P158-F176 HydrophobicContact CB-CD2 3.76Å; P158-F176 HydrophobicContact CB-CE2 3.71Å; P158-F176 HydrophobicContact CG-CD2 3.78Å; P158-F176 HydrophobicContact CG-CE2 3.61Å; Y165-F176 HydrophobicContact CD1-CB 4.26Å; Y165-F176 HydrophobicContact CD1-CD2 4.37Å; Y165-F176 HydrophobicContact CE1-CB 4.15Å; Y165-F176 HydrophobicContact CE1-CD2 4.21Å; F176-H178 PolarHBondContact O-N 3.31Å; F176-H178 VanDerWaalsContact O-N 3.12Å; F176-T186 HydrophobicContact CD1-CG2 4.48Å; F176-T186 HydrophobicContact CE1-CG2 3.33Å; F176-T186 HydrophobicContact CZ-CG2 3.57Å; F176-F189 HydrophobicContact CZ-CD2 4.16Å
177E74.1Confident72.6Confident49 Ų4952.9 Ų52.923%0.22926%0.259CS..  trans-67.8110.8-179.4-169-171.5157.700110.8T164 K166 R179T164-E177 VanDerWaalsContact O-CB 3.29Å; T164-E177 WeakPolarHBondContact O-CB 3.31Å; T164-E177 PolarHBondContact O-N 2.85Å; T164-E177 VanDerWaalsContact O-N 3.17Å; T164-E177 PolarHBondContact OG1-OE2 3.48Å; K166-E177 VanDerWaalsContact CD-OE2 3.29Å; K166-E177 WeakPolarHBondContact CD-OE2 3.47Å; K166-E177 VanDerWaalsContact CE-OE2 3.25Å; K166-E177 WeakPolarHBondContact CE-OE2 3.5Å; K166-E177 IonicContact NZ-OE2 2.9Å; K166-E177 PolarHBondContact NZ-OE2 3.45Å; E177-R179 VanDerWaalsContact CD-NE 3.26Å; E177-R179 HydrophobicContact CG-CG 4.07Å; E177-R179 PolarHBondContact O-N 3.1Å; E177-R179 WeakPolarHBondContact OE1-CG 3.37Å; E177-R179 IonicContact OE1-CZ 2.68Å; E177-R179 IonicContact OE1-NE 3.5Å; E177-R179 PolarHBondContact OE1-NE 2.91Å; E177-R179 IonicContact OE1-NH2 3.59Å; E177-R179 IonicContact OE2-CZ 2.81Å; E177-R179 IonicContact OE2-NE 2.82Å; E177-R179 PolarHBondContact OE2-NE 3.33Å; E177-R179 IonicContact OE2-NH2 3.52Å; E177-R179 PolarHBondContact OE2-NH2 3.37Å
178H67.9Low72Confident27 Ų2752.7 Ų52.713%0.12527%0.27CS..  trans-76.985.5175.7-61.2-66.8000111.1F176 C306 R309 I310F176-H178 PolarHBondContact O-N 3.31Å; F176-H178 VanDerWaalsContact O-N 3.12Å; H178-C306 PolarHBondContact NE2-SG 3Å; H178-R309 HydrophobicContact CB-CB 4.28Å; H178-I310 HydrophobicContact CB-CG1 4.41Å
179R63Low71.6Confident105 Ų10553.7 Ų53.740%0.39627%0.273SS..  trans-79.3147173.7-68.1-168.3-179.416120.5112.3T164 E177T164-R179 PolarHBondContact OG1-NH2 3.21Å; E177-R179 VanDerWaalsContact CD-NE 3.26Å; E177-R179 HydrophobicContact CG-CG 4.07Å; E177-R179 PolarHBondContact O-N 3.1Å; E177-R179 WeakPolarHBondContact OE1-CG 3.37Å; E177-R179 IonicContact OE1-CZ 2.68Å; E177-R179 IonicContact OE1-NE 3.5Å; E177-R179 PolarHBondContact OE1-NE 2.91Å; E177-R179 IonicContact OE1-NH2 3.59Å; E177-R179 IonicContact OE2-CZ 2.81Å; E177-R179 IonicContact OE2-NE 2.82Å; E177-R179 PolarHBondContact OE2-NE 3.33Å; E177-R179 IonicContact OE2-NH2 3.52Å; E177-R179 PolarHBondContact OE2-NH2 3.37Å
180Y60.5Low71.4Confident108 Ų10851.4 Ų51.442%0.42426%0.257SS..  trans-53.4142.3170.8-179.8-105.8000110.8K182 I310 R313Y180-K182 PolarHBondContact O-N 3.09Å; Y180-I310 VanDerWaalsContact CD2-O 3.22Å; Y180-I310 WeakPolarHBondContact CD2-O 3.46Å; Y180-R313 HydrophobicContact CD2-CB 3.83Å; Y180-R313 HydrophobicContact CD2-CG 4.3Å; Y180-R313 HydrophobicContact CE2-CB 3.6Å; Y180-R313 HydrophobicContact CE2-CG 4.37Å; Y180-R313 HydrophobicContact CG-CB 4.45Å; Y180-R313 HydrophobicContact CG-CG 4.44Å
181V57.8Low71.5Confident54 Ų5451 Ų5133%0.32726%0.257SS..THydrogen-bonded Turntrans-31.4-16.5-170.2-178.10000118.9S183 I310 F311V181-S183 PolarHBondContact O-N 2.96Å; V181-S183 VanDerWaalsContact O-N 3.14Å; V181-I310 HydrophobicContact CG2-CG2 3.88Å; V181-I310 WeakPolarHBondContact CG2-O 3.4Å; V181-I310 PolarHBondContact N-O 2.91Å; V181-F311 HydrophobicContact CG2-CD1 4.1Å
182K52.3Low71.7Confident205 Ų20552.9 Ų52.989%0.89127%0.266SS*.THydrogen-bonded Turntrans-69.5-7.8-174.9-144.5177.4-178.7-175.90115.4Y180Y180-K182 PolarHBondContact O-N 3.09Å
183S55.6Low71.9Confident47 Ų4752.9 Ų52.933%0.32927%0.266SS..SBendtrans-113.8110.4168.1-148.70000108.3V181 D185V181-S183 PolarHBondContact O-N 2.96Å; V181-S183 VanDerWaalsContact O-N 3.14Å; S183-D185 PolarHBondContact O-N 2.93Å; S183-D185 PolarHBondContact OG-OD2 3.18Å
184N58Low72Confident139 Ų13954.3 Ų54.374%0.74328%0.276SS*.THydrogen-bonded Turntrans-58.6-12.3-174.3-80.4-17000114.5
185D62.1Low72.4Confident61 Ų6158.2 Ų58.233%0.32630%0.3SS..Hα-helixtrans-78.2-32.2-168.4-44.7-55.8000113.3V162 S183 F189V162-D185 HydrophobicContact CG1-CB 4.22Å; S183-D185 PolarHBondContact O-N 2.93Å; S183-D185 PolarHBondContact OG-OD2 3.18Å; D185-F189 WeakPolarHBondContact O-CD2 3.37Å
186T66.9Low72.8Confident4 Ų458.4 Ų58.43%0.02530%0.3CS..Hα-helixtrans-77.3-32.9-174.963.40000113.5F176F176-T186 HydrophobicContact CD1-CG2 4.48Å; F176-T186 HydrophobicContact CE1-CG2 3.33Å; F176-T186 HydrophobicContact CZ-CG2 3.57Å
187L70.8Confident73.5Confident48 Ų4858.2 Ų58.225%0.25130%0.3SS..Hα-helixtrans-68.4-38.1-178-175.9116.6000111.4M190 L191 I310 F311L187-M190 PolarHBondContact O-N 3.49Å; L187-L191 HydrophobicContact CD2-CD1 3.42Å; L187-L191 VanDerWaalsContact CD2-CD1 3.42Å; L187-L191 HydrophobicContact CD2-CG 4.4Å; L187-L191 HydrophobicContact CG-CD1 3.76Å; L187-L191 HydrophobicContact CG-CG 4.22Å; L187-L191 VanDerWaalsContact O-CB 3.3Å; L187-L191 WeakPolarHBondContact O-CB 3.08Å; L187-L191 VanDerWaalsContact O-CG 3.24Å; L187-L191 WeakPolarHBondContact O-CG 3.26Å; L187-L191 PolarHBondContact O-N 3.08Å; L187-I310 HydrophobicContact CD1-CG2 4.34Å; L187-F311 HydrophobicContact CD1-CE1 4.12Å; L187-F311 HydrophobicContact CD1-CZ 3.98Å
188G75.8Confident74.4Confident41 Ų4159.1 Ų59.142%0.42331%0.311SS..Hα-helixtrans-60.3-47.4179.500000113M190 L191 M192G188-M190 PolarHBondContact O-N 3.2Å; G188-L191 PolarHBondContact O-N 2.93Å; G188-M192 WeakPolarHBondContact O-CB 3.45Å; G188-M192 PolarHBondContact O-N 3.41Å
189F75.4Confident75.7Confident36 Ų3660.6 Ų60.616%0.15832%0.322CS..Hα-helixtrans-61.7-46.2179.6-71.8-70.4000112.6F108 M154 P157 P158 F176 D185 M192 L193F108-F189 HydrophobicContact CZ-CD1 4.45Å; M154-F189 WeakPolarHBondContact O-CE1 3.39Å; P157-F189 HydrophobicContact CB-CZ 3.79Å; P157-F189 HydrophobicContact CG-CE1 4.2Å; P157-F189 HydrophobicContact CG-CZ 3.86Å; P158-F189 HydrophobicContact CG-CE2 4.18Å; P158-F189 HydrophobicContact CG-CZ 4.19Å; F176-F189 HydrophobicContact CZ-CD2 4.16Å; D185-F189 WeakPolarHBondContact O-CD2 3.37Å; F189-M192 PolarHBondContact O-N 2.85Å; F189-L193 PolarHBondContact O-N 2.93Å; F189-L193 VanDerWaalsContact O-N 3.1Å
190M79.2Confident77.2Confident17 Ų1755.8 Ų55.88%0.08431%0.305CS..Hα-helixtrans-67.9-43.4179.9-66.4-60.2-62.800111.6L187 G188 M192 L193 V194 I303 C306 Y307 I310L187-M190 PolarHBondContact O-N 3.49Å; G188-M190 PolarHBondContact O-N 3.2Å; M190-M192 VanDerWaalsContact C-N 3.31Å; M190-M192 PolarHBondContact O-N 3.41Å; M190-L193 PolarHBondContact O-N 3.17Å; M190-V194 PolarHBondContact O-N 3.11Å; M190-I303 HydrophobicContact CE-CG2 4.23Å; M190-C306 HydrophobicContact CE-CB 3.44Å; M190-C306 VanDerWaalsContact CE-CB 3.44Å; M190-C306 HydrophobicContact SD-CB 4.34Å; M190-Y307 HydrophobicContact CB-CE1 4.09Å; M190-Y307 HydrophobicContact CB-CE2 4.39Å; M190-Y307 HydrophobicContact CE-CE2 4.38Å; M190-Y307 PolarHBondContact O-OH 2.94Å; M190-Y307 VanDerWaalsContact O-OH 3.09Å; M190-I310 HydrophobicContact CB-CD1 4.5Å; M190-I310 HydrophobicContact CG-CD1 3.93Å
191L83.8Confident78.8Confident77 Ų7752.3 Ų52.340%0.40329%0.292SS..Hα-helixtrans-60-42.2175.9-77.3175.8000111.8L187 G188 V194 V195 Y307L187-L191 HydrophobicContact CD2-CD1 3.42Å; L187-L191 VanDerWaalsContact CD2-CD1 3.42Å; L187-L191 HydrophobicContact CD2-CG 4.4Å; L187-L191 HydrophobicContact CG-CD1 3.76Å; L187-L191 HydrophobicContact CG-CG 4.22Å; L187-L191 VanDerWaalsContact O-CB 3.3Å; L187-L191 WeakPolarHBondContact O-CB 3.08Å; L187-L191 VanDerWaalsContact O-CG 3.24Å; L187-L191 WeakPolarHBondContact O-CG 3.26Å; L187-L191 PolarHBondContact O-N 3.08Å; G188-L191 PolarHBondContact O-N 2.93Å; L191-V194 PolarHBondContact O-N 3.18Å; L191-V195 WeakPolarHBondContact O-CB 3.41Å; L191-V195 VanDerWaalsContact O-CG2 3.25Å; L191-V195 WeakPolarHBondContact O-CG2 3.37Å; L191-V195 PolarHBondContact O-N 3.41Å; L191-Y307 WeakPolarHBondContact CA-OH 3.46Å; L191-Y307 PolarHBondContact N-OH 3.33Å
192M86.4Confident80.5Confident41 Ų4154 Ų5420%0.20230%0.302CS..Hα-helixtrans-62.9-43.3177.5-177.9-176.873.600111.9F108 M154 G188 F189 M190 V194 V195 I196F108-M192 HydrophobicContact CD1-CE 3.91Å; F108-M192 HydrophobicContact CE1-CE 3.25Å; F108-M192 HydrophobicContact CE2-CE 4.47Å; F108-M192 HydrophobicContact CZ-CE 3.59Å; M154-M192 HydrophobicContact CB-CE 3.73Å; M154-M192 HydrophobicContact CE-CE 4.12Å; M154-M192 HydrophobicContact CE-SD 3.33Å; M154-M192 WeakPolarHBondContact CE-SD 3.42Å; M154-M192 HydrophobicContact CG-CE 3.38Å; M154-M192 HydrophobicContact CG-SD 3.94Å; M154-M192 HydrophobicContact SD-CE 3.38Å; M154-M192 WeakPolarHBondContact SD-CE 3.47Å; M154-M192 HydrophobicContact SD-SD 3.32Å; G188-M192 WeakPolarHBondContact O-CB 3.45Å; G188-M192 PolarHBondContact O-N 3.41Å; F189-M192 PolarHBondContact O-N 2.85Å; M190-M192 VanDerWaalsContact C-N 3.31Å; M190-M192 PolarHBondContact O-N 3.41Å; M192-V194 VanDerWaalsContact C-N 3.34Å; M192-V194 PolarHBondContact O-N 3.47Å; M192-V195 PolarHBondContact O-N 3.22Å; M192-I196 HydrophobicContact CG-CD1 3.83Å; M192-I196 HydrophobicContact CG-CG1 4.48Å; M192-I196 WeakPolarHBondContact O-CD1 3.19Å; M192-I196 VanDerWaalsContact O-CG1 3.28Å; M192-I196 WeakPolarHBondContact O-CG1 3.21Å; M192-I196 PolarHBondContact O-N 2.91Å
193L87.2Confident82.6Confident10 Ų1045.8 Ų45.85%0.05227%0.269CS..Hα-helixtrans-59.1-45.9175.5-175.765000111.1F108 A111 F189 M190 V195 I196 V197 I303F108-L193 HydrophobicContact CD1-CD1 4.26Å; F108-L193 HydrophobicContact CE1-CB 4.11Å; F108-L193 HydrophobicContact CE1-CD1 4.1Å; A111-L193 HydrophobicContact CB-CD1 3.9Å; F189-L193 PolarHBondContact O-N 2.93Å; F189-L193 VanDerWaalsContact O-N 3.1Å; M190-L193 PolarHBondContact O-N 3.17Å; L193-V195 PolarHBondContact O-N 3.18Å; L193-I196 PolarHBondContact O-N 3.43Å; L193-V197 VanDerWaalsContact O-CG2 3.29Å; L193-V197 WeakPolarHBondContact O-CG2 3.36Å; L193-V197 PolarHBondContact O-N 2.85Å; L193-I303 HydrophobicContact CD2-CD1 4.11Å; L193-I303 HydrophobicContact CD2-CG1 4.34Å
194V90.1Very high84.3Confident43 Ų4343.6 Ų43.626%0.26125%0.254SS..Hα-helixtrans-60.4-45.4175.3171.30000111.5M190 L191 M192 I196 V197 C198 I303 Y307M190-V194 PolarHBondContact O-N 3.11Å; L191-V194 PolarHBondContact O-N 3.18Å; M192-V194 VanDerWaalsContact C-N 3.34Å; M192-V194 PolarHBondContact O-N 3.47Å; V194-I196 PolarHBondContact O-N 3.44Å; V194-V197 PolarHBondContact O-N 2.88Å; V194-C198 VanDerWaalsContact O-CB 3.29Å; V194-C198 WeakPolarHBondContact O-CB 3.48Å; V194-C198 PolarHBondContact O-N 3.1Å; V194-C198 PolarHBondContact O-SG 3.33Å; V194-I303 HydrophobicContact CG2-CG2 4.05Å; V194-Y307 HydrophobicContact CG2-CE2 3.54Å; V194-Y307 VanDerWaalsContact CG2-OH 3.27Å; V194-Y307 WeakPolarHBondContact CG2-OH 3.35Å
195V92.4Very high85.9Confident84 Ų8440.9 Ų40.951%0.50924%0.242SC..Hα-helixtrans-59.9-45.1178.3168.60000110.9L191 M192 L193 V197 C198 T199L191-V195 WeakPolarHBondContact O-CB 3.41Å; L191-V195 VanDerWaalsContact O-CG2 3.25Å; L191-V195 WeakPolarHBondContact O-CG2 3.37Å; L191-V195 PolarHBondContact O-N 3.41Å; M192-V195 PolarHBondContact O-N 3.22Å; L193-V195 PolarHBondContact O-N 3.18Å; V195-V197 PolarHBondContact O-N 2.92Å; V195-C198 PolarHBondContact O-N 2.73Å; V195-T199 HydrophobicContact CG1-CG2 4.26Å; V195-T199 WeakPolarHBondContact O-CB 3.32Å; V195-T199 VanDerWaalsContact O-CG2 3.28Å; V195-T199 WeakPolarHBondContact O-CG2 3.35Å; V195-T199 PolarHBondContact O-N 2.98Å; V195-T199 PolarHBondContact O-OG1 3.36Å
196I93.6Very high87.4Confident15 Ų1544.7 Ų44.78%0.07726%0.256CS..Hα-helixtrans-63.1-45.1178.1-65.8158.9000110.6A111 F112 F115 M192 L193 V194 T199 T200A111-I196 HydrophobicContact CB-CG2 4.08Å; F112-I196 HydrophobicContact CD1-CD1 3.96Å; F112-I196 HydrophobicContact CD1-CG1 4.41Å; F112-I196 HydrophobicContact CD1-CG2 4.35Å; F112-I196 HydrophobicContact CE1-CD1 3.27Å; F112-I196 HydrophobicContact CE1-CG1 3.89Å; F112-I196 HydrophobicContact CE2-CD1 4.23Å; F112-I196 HydrophobicContact CZ-CD1 3.43Å; F112-I196 VanDerWaalsContact CZ-CD1 3.43Å; F112-I196 HydrophobicContact CZ-CG1 4.49Å; F115-I196 HydrophobicContact CB-CG2 4.36Å; M192-I196 HydrophobicContact CG-CD1 3.83Å; M192-I196 HydrophobicContact CG-CG1 4.48Å; M192-I196 WeakPolarHBondContact O-CD1 3.19Å; M192-I196 VanDerWaalsContact O-CG1 3.28Å; M192-I196 WeakPolarHBondContact O-CG1 3.21Å; M192-I196 PolarHBondContact O-N 2.91Å; L193-I196 PolarHBondContact O-N 3.43Å; V194-I196 PolarHBondContact O-N 3.44Å; I196-T199 WeakPolarHBondContact CA-OG1 3.27Å; I196-T199 PolarHBondContact O-OG1 2.85Å; I196-T200 WeakPolarHBondContact O-CB 3.19Å; I196-T200 PolarHBondContact O-N 3.24Å; I196-T200 PolarHBondContact O-OG1 3.48Å
197V91.4Very high88.5Confident12 Ų1244.7 Ų44.77%0.07326%0.255CS..Hα-helixtrans-63.5-48.7178.2173.40000110.7L193 V194 V195 T200 H201 F295 L296L193-V197 VanDerWaalsContact O-CG2 3.29Å; L193-V197 WeakPolarHBondContact O-CG2 3.36Å; L193-V197 PolarHBondContact O-N 2.85Å; V194-V197 PolarHBondContact O-N 2.88Å; V195-V197 PolarHBondContact O-N 2.92Å; V197-T200 WeakPolarHBondContact O-CB 3.29Å; V197-T200 PolarHBondContact O-N 3.16Å; V197-H201 PolarHBondContact O-N 3.06Å; V197-H201 PolarHBondContact O-ND1 3.11Å; V197-F295 HydrophobicContact CG2-CD1 4.37Å; V197-F295 HydrophobicContact CG2-CE1 3.69Å; V197-L296 HydrophobicContact CG1-CD1 3.75Å
198C92.7Very high89.5Confident68 Ų6846 Ų4646%0.45926%0.262SS..Hα-helixtrans-61.1-46.9178.6-72.10000112V194 V195 T200 H201 V202V194-C198 VanDerWaalsContact O-CB 3.29Å; V194-C198 WeakPolarHBondContact O-CB 3.48Å; V194-C198 PolarHBondContact O-N 3.1Å; V194-C198 PolarHBondContact O-SG 3.33Å; V195-C198 PolarHBondContact O-N 2.73Å; C198-T200 VanDerWaalsContact C-N 3.32Å; C198-T200 PolarHBondContact O-N 3.07Å; C198-H201 PolarHBondContact O-N 3.35Å; C198-V202 WeakPolarHBondContact O-CG2 3.44Å; C198-V202 PolarHBondContact O-N 3.05Å
199T94.7Very high90.2Very high58 Ų5847.1 Ų47.136%0.35626%0.263SS..Hα-helixtrans-62.4-39.617852.20000111.8V195 I196 H201 V202 V203V195-T199 HydrophobicContact CG1-CG2 4.26Å; V195-T199 WeakPolarHBondContact O-CB 3.32Å; V195-T199 VanDerWaalsContact O-CG2 3.28Å; V195-T199 WeakPolarHBondContact O-CG2 3.35Å; V195-T199 PolarHBondContact O-N 2.98Å; V195-T199 PolarHBondContact O-OG1 3.36Å; I196-T199 WeakPolarHBondContact CA-OG1 3.27Å; I196-T199 PolarHBondContact O-OG1 2.85Å; T199-H201 VanDerWaalsContact C-N 3.34Å; T199-H201 PolarHBondContact O-N 3.09Å; T199-V202 PolarHBondContact O-N 3.5Å; T199-V203 WeakPolarHBondContact O-CG2 3.24Å; T199-V203 PolarHBondContact O-N 3.01Å
200T95.1Very high90.8Very high4 Ų448 Ų483%0.02527%0.267CS..Hα-helixtrans-57.7-45.7173.5-57.20000111.6L114 F115 I196 V197 C198 V203 Y204 T292L114-T200 HydrophobicContact CB-CG2 4.47Å; F115-T200 WeakPolarHBondContact CA-OG1 3.3Å; F115-T200 WeakPolarHBondContact CB-OG1 3.49Å; I196-T200 WeakPolarHBondContact O-CB 3.19Å; I196-T200 PolarHBondContact O-N 3.24Å; I196-T200 PolarHBondContact O-OG1 3.48Å; V197-T200 WeakPolarHBondContact O-CB 3.29Å; V197-T200 PolarHBondContact O-N 3.16Å; C198-T200 VanDerWaalsContact C-N 3.32Å; C198-T200 PolarHBondContact O-N 3.07Å; T200-V203 PolarHBondContact O-N 2.9Å; T200-Y204 HydrophobicContact CG2-CD2 4Å; T200-Y204 HydrophobicContact CG2-CE2 3.86Å; T200-Y204 WeakPolarHBondContact O-CD2 3.31Å; T200-Y204 PolarHBondContact O-N 3.44Å; T200-Y204 VanDerWaalsContact O-N 3.09Å; T200-T292 HydrophobicContact CG2-CG2 3.71Å
201H92.6Very high91.2Very high34 Ų3447.7 Ų47.716%0.15727%0.266CS..Hα-helixtrans-66.9-38.7178.5-73.175.2000112V197 C198 T199 V203 Y204 V205 L296V197-H201 PolarHBondContact O-N 3.06Å; V197-H201 PolarHBondContact O-ND1 3.11Å; C198-H201 PolarHBondContact O-N 3.35Å; T199-H201 VanDerWaalsContact C-N 3.34Å; T199-H201 PolarHBondContact O-N 3.09Å; H201-V203 VanDerWaalsContact C-N 3.33Å; H201-V203 PolarHBondContact O-N 3.01Å; H201-Y204 PolarHBondContact O-N 3.23Å; H201-V205 VanDerWaalsContact O-CG2 3.31Å; H201-V205 WeakPolarHBondContact O-CG2 3.26Å; H201-V205 PolarHBondContact O-N 3.45Å; H201-L296 WeakPolarHBondContact NE2-CD2 3.32Å
202V94.6Very high91.4Very high90 Ų9050.3 Ų50.355%0.54527%0.271SS..Hα-helixtrans-59.7-42.9174.31700000111.3C198 T199 V205 K206C198-V202 WeakPolarHBondContact O-CG2 3.44Å; C198-V202 PolarHBondContact O-N 3.05Å; T199-V202 PolarHBondContact O-N 3.5Å; V202-V205 PolarHBondContact O-N 3.36Å; V202-K206 PolarHBondContact O-N 2.77Å
203V95.3Very high91.3Very high32 Ų3252.7 Ų52.719%0.19429%0.285CS..Hα-helixtrans-62.7-43.5176.4174.60000111.2F115 S118 V119 T199 T200 H201 K206 M207F115-V203 HydrophobicContact CE2-CG2 4.32Å; S118-V203 WeakPolarHBondContact OG-CG1 3.33Å; V119-V203 HydrophobicContact CG2-CG1 4.41Å; T199-V203 WeakPolarHBondContact O-CG2 3.24Å; T199-V203 PolarHBondContact O-N 3.01Å; T200-V203 PolarHBondContact O-N 2.9Å; H201-V203 VanDerWaalsContact C-N 3.33Å; H201-V203 PolarHBondContact O-N 3.01Å; V203-K206 PolarHBondContact O-N 2.65Å; V203-M207 PolarHBondContact O-N 3.36Å
204Y92.6Very high90.9Very high1 Ų155.8 Ų55.80%0.00430%0.299CS..Hα-helixtrans-64.5-42.4175.8-85.2-63.5000113.1T200 H201 K206 M207 L208 F289 T292T200-Y204 HydrophobicContact CG2-CD2 4Å; T200-Y204 HydrophobicContact CG2-CE2 3.86Å; T200-Y204 WeakPolarHBondContact O-CD2 3.31Å; T200-Y204 PolarHBondContact O-N 3.44Å; T200-Y204 VanDerWaalsContact O-N 3.09Å; H201-Y204 PolarHBondContact O-N 3.23Å; Y204-K206 VanDerWaalsContact C-N 3.32Å; Y204-K206 PolarHBondContact O-N 3.35Å; Y204-M207 HydrophobicContact CD1-CE 3.74Å; Y204-M207 HydrophobicContact CD1-SD 4.29Å; Y204-M207 HydrophobicContact CE1-CE 4.18Å; Y204-M207 HydrophobicContact CE1-SD 4.5Å; Y204-M207 WeakPolarHBondContact O-CB 3.3Å; Y204-M207 PolarHBondContact O-N 3.41Å; Y204-L208 WeakPolarHBondContact O-CG 3.02Å; Y204-L208 PolarHBondContact O-N 2.97Å; Y204-F289 HydrophobicContact CD1-CB 4.02Å; Y204-F289 AromaticContact CD1-CD2 3.93Å; Y204-F289 HydrophobicContact CD1-CD2 3.93Å; Y204-F289 HydrophobicContact CD1-CG 4.47Å; Y204-F289 HydrophobicContact CD2-CD2 4.46Å; Y204-F289 HydrophobicContact CE1-CB 4.07Å; Y204-F289 AromaticContact CG-CD2 3.83Å; Y204-F289 HydrophobicContact CG-CD2 3.83Å; Y204-T292 HydrophobicContact CD2-CG2 3.99Å; Y204-T292 HydrophobicContact CE2-CG2 3.75Å; Y204-T292 WeakPolarHBondContact CE2-OG1 3.22Å; Y204-T292 PolarHBondContact OH-OG1 2.8Å
205V92.3Very high90.2Very high82 Ų8262.2 Ų62.250%0.49732%0.318SS..Hα-helixtrans-59.7-45.5175.1170.70000109.9H201 V202 M207 L208 C209H201-V205 VanDerWaalsContact O-CG2 3.31Å; H201-V205 WeakPolarHBondContact O-CG2 3.26Å; H201-V205 PolarHBondContact O-N 3.45Å; V202-V205 PolarHBondContact O-N 3.36Å; V205-M207 VanDerWaalsContact C-N 3.33Å; V205-M207 PolarHBondContact O-N 3.25Å; V205-L208 PolarHBondContact O-N 3.06Å; V205-L208 VanDerWaalsContact O-N 3.14Å; V205-C209 PolarHBondContact O-N 3.03Å; V205-C209 PolarHBondContact O-SG 2.91Å; V205-C209 VanDerWaalsContact O-SG 3.32Å
206K92.7Very high88.9Confident141 Ų14164.7 Ų64.761%0.61332%0.322SS*.Hα-helixtrans-58.5-42.4173.8-78.9-147.8166.8-175.60112.9V202 V203 Y204 L208 C209 F210V202-K206 PolarHBondContact O-N 2.77Å; V203-K206 PolarHBondContact O-N 2.65Å; Y204-K206 VanDerWaalsContact C-N 3.32Å; Y204-K206 PolarHBondContact O-N 3.35Å; K206-L208 PolarHBondContact O-N 3.49Å; K206-C209 PolarHBondContact O-N 3.31Å; K206-F210 WeakPolarHBondContact O-CB 3.25Å; K206-F210 PolarHBondContact O-N 3.49Å
207M90.7Very high87.2Confident4 Ų469.2 Ų69.22%0.0235%0.345CS..Hα-helixtrans-60.1-44.2174.3-176.2-166.776.800111.9R121 Y122 I125 V203 Y204 V205 F210 V211R121-M207 HydrophobicContact CB-SD 3.89Å; Y122-M207 HydrophobicContact CD2-CB 4.02Å; I125-M207 HydrophobicContact CD1-CG 4.06Å; I125-M207 HydrophobicContact CD1-SD 3.84Å; V203-M207 PolarHBondContact O-N 3.36Å; Y204-M207 HydrophobicContact CD1-CE 3.74Å; Y204-M207 HydrophobicContact CD1-SD 4.29Å; Y204-M207 HydrophobicContact CE1-CE 4.18Å; Y204-M207 HydrophobicContact CE1-SD 4.5Å; Y204-M207 WeakPolarHBondContact O-CB 3.3Å; Y204-M207 PolarHBondContact O-N 3.41Å; V205-M207 VanDerWaalsContact C-N 3.33Å; V205-M207 PolarHBondContact O-N 3.25Å; M207-F210 PolarHBondContact O-N 3.31Å; M207-V211 WeakPolarHBondContact O-CG2 3.44Å; M207-V211 PolarHBondContact O-N 2.85Å
208L90.3Very high85.3Confident75 Ų7577.9 Ų77.939%0.39338%0.381SS..Hα-helixtrans-67.2-43.3180-69174.8000112Y204 V205 K206 V211 Y212 F289Y204-L208 WeakPolarHBondContact O-CG 3.02Å; Y204-L208 PolarHBondContact O-N 2.97Å; V205-L208 PolarHBondContact O-N 3.06Å; V205-L208 VanDerWaalsContact O-N 3.14Å; K206-L208 PolarHBondContact O-N 3.49Å; L208-V211 PolarHBondContact O-N 3.43Å; L208-Y212 WeakPolarHBondContact O-CB 3.22Å; L208-Y212 PolarHBondContact O-N 3.45Å; L208-F289 HydrophobicContact CD1-CD2 4.34Å; L208-F289 HydrophobicContact CD1-CE1 4.4Å; L208-F289 HydrophobicContact CD1-CE2 3.99Å; L208-F289 HydrophobicContact CD1-CZ 4.01Å
209C90.6Very high83.5Confident65 Ų6580.2 Ų80.244%0.43940%0.395SS..Hα-helixtrans-58.4-48.5173.4-68.30000111V205 K206 V211 Y212 D213V205-C209 PolarHBondContact O-N 3.03Å; V205-C209 PolarHBondContact O-SG 2.91Å; V205-C209 VanDerWaalsContact O-SG 3.32Å; K206-C209 PolarHBondContact O-N 3.31Å; C209-V211 VanDerWaalsContact C-N 3.32Å; C209-V211 PolarHBondContact O-N 3.42Å; C209-Y212 WeakPolarHBondContact O-CB 3.13Å; C209-Y212 PolarHBondContact O-N 3.06Å; C209-D213 PolarHBondContact O-N 2.98Å
210F89.5Confident81.4Confident55 Ų5581.3 Ų81.324%0.24141%0.41CS..Hα-helixtrans-56.6-45176.4179.4-92.2000112.2I125 A126 K206 M207 Y212 D213 H214I125-F210 HydrophobicContact CG2-CD1 4.09Å; I125-F210 HydrophobicContact CG2-CE1 4.11Å; A126-F210 VanDerWaalsContact CA-CE1 3.45Å; A126-F210 HydrophobicContact CB-CD1 4.14Å; A126-F210 HydrophobicContact CB-CD2 4.44Å; A126-F210 HydrophobicContact CB-CE1 3.79Å; A126-F210 HydrophobicContact CB-CE2 4.09Å; A126-F210 HydrophobicContact CB-CG 4.45Å; A126-F210 HydrophobicContact CB-CZ 3.74Å; K206-F210 WeakPolarHBondContact O-CB 3.25Å; K206-F210 PolarHBondContact O-N 3.49Å; M207-F210 PolarHBondContact O-N 3.31Å; F210-Y212 VanDerWaalsContact C-N 3.33Å; F210-Y212 PolarHBondContact O-N 3.31Å; F210-D213 PolarHBondContact O-N 3.27Å; F210-H214 AromaticContact CD1-CD2 3.81Å; F210-H214 AromaticContact CD2-CD2 3.98Å; F210-H214 AromaticContact CE1-CD2 3.33Å; F210-H214 WeakPolarHBondContact CE1-CD2 3.29Å; F210-H214 AromaticContact CE1-NE2 3.65Å; F210-H214 AromaticContact CE2-CD2 3.55Å; F210-H214 AromaticContact CE2-NE2 3.35Å; F210-H214 WeakPolarHBondContact CE2-NE2 3.33Å; F210-H214 AromaticContact CZ-CD2 3.2Å; F210-H214 WeakPolarHBondContact CZ-CD2 3.38Å; F210-H214 AromaticContact CZ-NE2 3.01Å; F210-H214 WeakPolarHBondContact CZ-NE2 3.37Å; F210-H214 WeakPolarHBondContact O-CB 3.47Å; F210-H214 PolarHBondContact O-CD2 3Å; F210-H214 PolarHBondContact O-N 2.94Å
211V87Confident78.9Confident11 Ų1189.6 Ų89.67%0.06745%0.449CS..Hα-helixtrans-65.1-37.7176.81690000111.9I125 M207 L208 C209 R215 K282I125-V211 HydrophobicContact CD1-CG2 4.32Å; I125-V211 HydrophobicContact CG2-CG2 3.65Å; M207-V211 WeakPolarHBondContact O-CG2 3.44Å; M207-V211 PolarHBondContact O-N 2.85Å; L208-V211 PolarHBondContact O-N 3.43Å; C209-V211 VanDerWaalsContact C-N 3.32Å; C209-V211 PolarHBondContact O-N 3.42Å; V211-R215 WeakPolarHBondContact O-CG 3.2Å; V211-R215 PolarHBondContact O-N 2.97Å; V211-K282 HydrophobicContact CG1-CD 4.45Å
212Y86.7Confident77Confident132 Ų13294 Ų9452%0.51847%0.473SS..Hα-helixtrans-66.3-46.3178.2177.3-98.4000111.3L208 C209 F210 H214 R215 K216L208-Y212 WeakPolarHBondContact O-CB 3.22Å; L208-Y212 PolarHBondContact O-N 3.45Å; C209-Y212 WeakPolarHBondContact O-CB 3.13Å; C209-Y212 PolarHBondContact O-N 3.06Å; F210-Y212 VanDerWaalsContact C-N 3.33Å; F210-Y212 PolarHBondContact O-N 3.31Å; Y212-H214 VanDerWaalsContact C-N 3.34Å; Y212-H214 PolarHBondContact O-N 2.81Å; Y212-R215 WeakPolarHBondContact O-CB 3.34Å; Y212-R215 PolarHBondContact O-N 2.9Å; Y212-R215 VanDerWaalsContact O-N 3.07Å; Y212-K216 HydrophobicContact CE1-CD 4.25Å; Y212-K216 PolarHBondContact O-N 3.47Å; Y212-K216 WeakPolarHBondContact OH-CE 3.35Å; Y212-K216 PolarHBondContact OH-NZ 3.27Å
213D84.4Confident74.7Confident90 Ų9094.8 Ų94.848%0.48148%0.478SS..Hα-helixtrans-62.9-41177.8-66.6-21.9000111.5C209 F210 R215 K216C209-D213 PolarHBondContact O-N 2.98Å; F210-D213 PolarHBondContact O-N 3.27Å; D213-R215 VanDerWaalsContact C-N 3.26Å; D213-R215 PolarHBondContact O-N 3.49Å; D213-K216 WeakPolarHBondContact O-CB 3.27Å; D213-K216 PolarHBondContact O-N 3.01Å; D213-K216 VanDerWaalsContact O-N 3.09Å
214H79.7Confident72.6Confident76 Ų7698 Ų9835%0.35250%0.5SS..Hα-helixtrans-65.7-21.9174.4-91.8-75.7000114.7F210 Y212 M217F210-H214 AromaticContact CD1-CD2 3.81Å; F210-H214 AromaticContact CD2-CD2 3.98Å; F210-H214 AromaticContact CE1-CD2 3.33Å; F210-H214 WeakPolarHBondContact CE1-CD2 3.29Å; F210-H214 AromaticContact CE1-NE2 3.65Å; F210-H214 AromaticContact CE2-CD2 3.55Å; F210-H214 AromaticContact CE2-NE2 3.35Å; F210-H214 WeakPolarHBondContact CE2-NE2 3.33Å; F210-H214 AromaticContact CZ-CD2 3.2Å; F210-H214 WeakPolarHBondContact CZ-CD2 3.38Å; F210-H214 AromaticContact CZ-NE2 3.01Å; F210-H214 WeakPolarHBondContact CZ-NE2 3.37Å; F210-H214 WeakPolarHBondContact O-CB 3.47Å; F210-H214 PolarHBondContact O-CD2 3Å; F210-H214 PolarHBondContact O-N 2.94Å; Y212-H214 VanDerWaalsContact C-N 3.34Å; Y212-H214 PolarHBondContact O-N 2.81Å; H214-M217 HydrophobicContact CB-CE 4.49Å; H214-M217 WeakPolarHBondContact CE1-CE 3.37Å; H214-M217 WeakPolarHBondContact ND1-CE 3.37Å; H214-M217 PolarHBondContact ND1-SD 2.88Å; H214-M217 VanDerWaalsContact ND1-SD 3.44Å
215R75.1Confident70.5Confident177 Ų177103 Ų10367%0.66854%0.541SS*.Hα-helixtrans-76.5-26.4172.2-72.9-176.6-138.7-120.28.3112.6V211 Y212 D213 M217V211-R215 WeakPolarHBondContact O-CG 3.2Å; V211-R215 PolarHBondContact O-N 2.97Å; Y212-R215 WeakPolarHBondContact O-CB 3.34Å; Y212-R215 PolarHBondContact O-N 2.9Å; Y212-R215 VanDerWaalsContact O-N 3.07Å; D213-R215 VanDerWaalsContact C-N 3.26Å; D213-R215 PolarHBondContact O-N 3.49Å; R215-M217 VanDerWaalsContact C-N 3.25Å; R215-M217 PolarHBondContact O-N 3.31Å
216K66.1Low68.6Low136 Ų136105.9 Ų105.959%0.59155%0.552SS**Hα-helixtrans-74.5-17.5177-69.8-169.9175.6177.70112.8Y212 D213 K218Y212-K216 HydrophobicContact CE1-CD 4.25Å; Y212-K216 PolarHBondContact O-N 3.47Å; Y212-K216 WeakPolarHBondContact OH-CE 3.35Å; Y212-K216 PolarHBondContact OH-NZ 3.27Å; D213-K216 WeakPolarHBondContact O-CB 3.27Å; D213-K216 PolarHBondContact O-N 3.01Å; D213-K216 VanDerWaalsContact O-N 3.09Å; K216-K218 PolarHBondContact O-N 3.37Å; K216-K218 VanDerWaalsContact O-N 3.14Å
217M57Low66.5Low111 Ų111101.9 Ų101.955%0.54754%0.542SS..SBendtrans-65.5114.4173.2-59.1-174.2-163.400109.2H214 R215H214-M217 HydrophobicContact CB-CE 4.49Å; H214-M217 WeakPolarHBondContact CE1-CE 3.37Å; H214-M217 WeakPolarHBondContact ND1-CE 3.37Å; H214-M217 PolarHBondContact ND1-SD 2.88Å; H214-M217 VanDerWaalsContact ND1-SD 3.44Å; R215-M217 VanDerWaalsContact C-N 3.25Å; R215-M217 PolarHBondContact O-N 3.31Å
218K51.5Low64.8Low194 Ų194110.7 Ų110.784%0.84358%0.583SS**  trans-56.6134.8170.2-67.5-177.7179.8-177.90107.8K216 A220K216-K218 PolarHBondContact O-N 3.37Å; K216-K218 VanDerWaalsContact O-N 3.14Å; K218-A220 PolarHBondContact O-N 3.47Å; K218-A220 VanDerWaalsContact O-N 3.11Å
219P55.9Low62.9Low116 Ų116114.1 Ų114.175%0.75360%0.601SS**  trans-54.2126174.622.2-30.7000107.5Q221P219-Q221 PolarHBondContact O-N 2.84Å
220A50.7Low61Low81 Ų81121.3 Ų121.367%0.66962%0.619SS**  trans-52.4111.3179.500000108.1K218 L222K218-A220 PolarHBondContact O-N 3.47Å; K218-A220 VanDerWaalsContact O-N 3.11Å; A220-L222 VanDerWaalsContact C-N 3.26Å; A220-L222 PolarHBondContact O-N 3.49Å
221Q42.3Very low58.9Low179 Ų179124.3 Ų124.384%0.83664%0.642SS**  trans-66.397.4170-82.2-171-24.700105.6P219 V223P219-Q221 PolarHBondContact O-N 2.84Å; Q221-V223 PolarHBondContact O-N 3.46Å
222L51.2Low57.1Low125 Ų125130.2 Ų130.265%0.65467%0.668SS**  trans-68.686.5167-76.6143.8000105.7A220A220-L222 VanDerWaalsContact C-N 3.26Å; A220-L222 PolarHBondContact O-N 3.49Å
223V46.5Very low55.1Low108 Ų108127 Ų12766%0.65566%0.657SS**  trans-60.2122.8163.7-174.40000104.8Q221 A225Q221-V223 PolarHBondContact O-N 3.46Å; V223-A225 PolarHBondContact O-N 2.9Å
224P52.5Low53.1Low100 Ų100124.5 Ų124.565%0.64965%0.653SS**  trans-53.4136.6175.822.3-31.4000107.9I226P224-I226 PolarHBondContact O-N 3.44Å
225A48.6Very low51.3Low105 Ų105127.8 Ų127.887%0.86868%0.681SS**  trans-62.2102179.200000108.5V223 S227V223-A225 PolarHBondContact O-N 2.9Å; A225-S227 PolarHBondContact O-N 3.31Å
226I51.5Low50.5Low143 Ų143121.3 Ų121.373%0.73367%0.67SS**  trans-85.698.2171.5-64.7169.2000105.5P224P224-I226 PolarHBondContact O-N 3.44Å
227S48.7Very low49.9Very low57 Ų57119 Ų11940%0.39968%0.676SS.*  trans-79.9124.7169.81260000107.9A225 N229 W230A225-S227 PolarHBondContact O-N 3.31Å; S227-N229 VanDerWaalsContact C-N 3.25Å; S227-N229 PolarHBondContact OG-N 2.89Å; S227-W230 WeakPolarHBondContact OG-CA 3.46Å; S227-W230 WeakPolarHBondContact OG-CB 3.47Å; S227-W230 PolarHBondContact OG-N 3.48Å; S227-W230 PolarHBondContact OG-O 2.92Å
228Q55.8Low49.8Very low188 Ų188118.1 Ų118.188%0.87968%0.676SS**SBendtrans-74.3-17.1171.9-71.5-171.9-25.200112.7
229N48.9Very low50.2Low147 Ų147109.5 Ų109.579%0.78664%0.643SS**SBendtrans-108.2-7.6-169.7-68-0.1000114.8S227S227-N229 VanDerWaalsContact C-N 3.25Å; S227-N229 PolarHBondContact OG-N 2.89Å
230W50.8Low50.5Low216 Ų216110.2 Ų110.282%0.81864%0.636SS**  trans-123.1104.2174.7-55.366.2000107.5S227 F232S227-W230 WeakPolarHBondContact OG-CA 3.46Å; S227-W230 WeakPolarHBondContact OG-CB 3.47Å; S227-W230 PolarHBondContact OG-N 3.48Å; S227-W230 PolarHBondContact OG-O 2.92Å; W230-F232 VanDerWaalsContact C-N 3.3Å; W230-F232 PolarHBondContact O-N 2.92Å
231T46.7Very low51Low118 Ų118108.7 Ų108.772%0.72462%0.623SS**  trans-67.695.6159.747.80000106.8H233T231-H233 PolarHBondContact O-N 2.9Å
232F47.8Very low52.1Low136 Ų136100.2 Ų100.260%0.59658%0.584SS**SBendtrans-66.195.1165.5-174.5-102.9000107W230 I261W230-F232 VanDerWaalsContact C-N 3.3Å; W230-F232 PolarHBondContact O-N 2.92Å; F232-I261 HydrophobicContact CE2-CD1 3.98Å; F232-I261 HydrophobicContact CZ-CD1 3.55Å
233H45.8Very low52.7Low63 Ų6396.6 Ų96.629%0.29257%0.572SS.*SBendtrans66.1119.4-167.9-53.4-72.6000114.2T231T231-H233 PolarHBondContact O-N 2.9Å
234G42.3Very low53.7Low38 Ų3895.3 Ų95.339%0.39256%0.562SS.*  trans-60.9-178.6-17700000114.8G236G234-G236 PolarHBondContact O-N 2.91Å
235P41.8Very low54.4Low145 Ų14593 Ų9394%0.94254%0.54SS*.SBendtrans-66.4107.5-172.627.9-32.2000110.3
236G57.1Low55.2Low42 Ų4293 Ų9343%0.43352%0.524SS..SBendtrans170.9160.4176.900000114.1G234 T238 G239G234-G236 PolarHBondContact O-N 2.91Å; G236-T238 PolarHBondContact O-N 2.96Å; G236-G239 PolarHBondContact O-N 2.88Å; G236-G239 VanDerWaalsContact O-N 3.14Å
237A53.7Low55.8Low87 Ų8789.2 Ų89.272%0.71952%0.515SS*.Hα-helixtrans-54.7-20.1-178.100000114.6A241A237-A241 VanDerWaalsContact O-CB 3.3Å; A237-A241 WeakPolarHBondContact O-CB 3.08Å; A237-A241 PolarHBondContact O-N 3.05Å
238T56.1Low56.5Low92 Ų9289.7 Ų89.756%0.56453%0.528SS*.Hα-helixtrans-72.2-33.8179.4440000113.8G236 A242G236-T238 PolarHBondContact O-N 2.96Å; T238-A242 PolarHBondContact O-N 3.02Å; T238-A242 VanDerWaalsContact O-N 3.13Å
239G59.5Low57Low13 Ų1388.6 Ų88.613%0.13452%0.521CS..Hα-helixtrans-71.4-42.3175.100000112.1G236 A242 A243G236-G239 PolarHBondContact O-N 2.88Å; G236-G239 VanDerWaalsContact O-N 3.14Å; G239-A242 PolarHBondContact O-N 3.43Å; G239-A243 PolarHBondContact O-N 2.98Å
240Q62.1Low57.5Low132 Ų13283.2 Ų83.262%0.61750%0.5SS*.Hα-helixtrans-66.4-38.7175.9-141.775.56.400111.8A243 N244Q240-A243 PolarHBondContact O-N 3.26Å; Q240-N244 VanDerWaalsContact O-CB 3.28Å; Q240-N244 WeakPolarHBondContact O-CB 3.36Å; Q240-N244 PolarHBondContact O-N 3Å; Q240-N244 PolarHBondContact O-ND2 2.63Å
241A62.3Low57.8Low48 Ų4885.2 Ų85.240%0.39751%0.507SS..Hα-helixtrans-62.7-41.9174.500000111.8A237 W245A237-A241 VanDerWaalsContact O-CB 3.3Å; A237-A241 WeakPolarHBondContact O-CB 3.08Å; A237-A241 PolarHBondContact O-N 3.05Å; A241-W245 WeakPolarHBondContact O-CB 3.27Å; A241-W245 PolarHBondContact O-N 3.01Å
242A64.8Low58.6Low2 Ų281.6 Ų81.62%0.01749%0.494CS..Hα-helixtrans-64.8-43.3174.500000112.2T238 G239 W245 I246 L258T238-A242 PolarHBondContact O-N 3.02Å; T238-A242 VanDerWaalsContact O-N 3.13Å; G239-A242 PolarHBondContact O-N 3.43Å; A242-W245 PolarHBondContact O-N 2.89Å; A242-I246 WeakPolarHBondContact O-CD1 3.41Å; A242-I246 WeakPolarHBondContact O-CG1 3.41Å; A242-I246 PolarHBondContact O-N 3.06Å; A242-L258 HydrophobicContact CB-CD1 3.83Å; A242-L258 HydrophobicContact CB-CG 4.5Å
243A63.8Low59.1Low49 Ų4981.1 Ų81.141%0.40550%0.504SS..Hα-helixtrans-63.3-44.5176.200000112.5G239 Q240 W245 I246 A247G239-A243 PolarHBondContact O-N 2.98Å; Q240-A243 PolarHBondContact O-N 3.26Å; A243-W245 VanDerWaalsContact C-N 3.33Å; A243-W245 PolarHBondContact O-N 3.33Å; A243-I246 PolarHBondContact O-N 3.2Å; A243-A247 VanDerWaalsContact O-CB 3.3Å; A243-A247 WeakPolarHBondContact O-CB 3.32Å; A243-A247 PolarHBondContact O-N 3.42Å
244N66.3Low59.8Low81 Ų8181.5 Ų81.543%0.43351%0.511SS..Hα-helixtrans-65-36.9175.7-72-13.2000111.7Q240 A247 G248 F249 G250Q240-N244 VanDerWaalsContact O-CB 3.28Å; Q240-N244 WeakPolarHBondContact O-CB 3.36Å; Q240-N244 PolarHBondContact O-N 3Å; Q240-N244 PolarHBondContact O-ND2 2.63Å; N244-A247 PolarHBondContact O-N 2.96Å; N244-G248 PolarHBondContact O-N 2.97Å; N244-F249 HydrophobicContact CB-CB 4.37Å; N244-F249 WeakPolarHBondContact O-CA 3.48Å; N244-F249 WeakPolarHBondContact O-CB 3.36Å; N244-F249 PolarHBondContact O-N 2.9Å; N244-G250 PolarHBondContact O-N 3.49Å
245W68.4Low60.8Low52 Ų5280.8 Ų80.820%0.19750%0.499CS..Hα-helixtrans-67.7-43.5175.7-161.699.3000111.5A241 A242 A243 A247 G248 G252 T254 P255 L258A241-W245 WeakPolarHBondContact O-CB 3.27Å; A241-W245 PolarHBondContact O-N 3.01Å; A242-W245 PolarHBondContact O-N 2.89Å; A243-W245 VanDerWaalsContact C-N 3.33Å; A243-W245 PolarHBondContact O-N 3.33Å; W245-A247 VanDerWaalsContact C-N 3.32Å; W245-A247 PolarHBondContact O-N 3.42Å; W245-G248 PolarHBondContact O-N 2.99Å; W245-G248 VanDerWaalsContact O-N 3.13Å; W245-G252 PolarHBondContact NE1-O 3.41Å; W245-T254 HydrophobicContact CH2-CG2 3.16Å; W245-T254 HydrophobicContact CZ2-CG2 3.38Å; W245-T254 HydrophobicContact CZ3-CG2 3.81Å; W245-P255 HydrophobicContact CB-CG 4.15Å; W245-P255 HydrophobicContact CG-CG 4.1Å; W245-L258 HydrophobicContact CB-CD1 4.48Å; W245-L258 HydrophobicContact CD2-CD1 4.48Å; W245-L258 HydrophobicContact CE3-CD1 3.87Å
246I64.9Low61.6Low104 Ų10479.4 Ų79.453%0.53349%0.49SS..Hα-helixtrans-63.1-36.4173.3-66.2161.8000111.9A242 A243 G248 L258A242-I246 WeakPolarHBondContact O-CD1 3.41Å; A242-I246 WeakPolarHBondContact O-CG1 3.41Å; A242-I246 PolarHBondContact O-N 3.06Å; A243-I246 PolarHBondContact O-N 3.2Å; I246-G248 PolarHBondContact O-N 3.47Å; I246-L258 HydrophobicContact CD1-CD1 4.35Å; I246-L258 HydrophobicContact CD1-CD2 3.97Å; I246-L258 HydrophobicContact CG1-CD1 4.05Å; I246-L258 HydrophobicContact CG1-CD2 3.87Å
247A64.9Low61.7Low64 Ų6479.5 Ų79.553%0.52948%0.482SS..THydrogen-bonded Turntrans-77.11.4176.600000113.9A243 N244 W245 F249A243-A247 VanDerWaalsContact O-CB 3.3Å; A243-A247 WeakPolarHBondContact O-CB 3.32Å; A243-A247 PolarHBondContact O-N 3.42Å; N244-A247 PolarHBondContact O-N 2.96Å; W245-A247 VanDerWaalsContact C-N 3.32Å; W245-A247 PolarHBondContact O-N 3.42Å; A247-F249 HydrophobicContact CB-CD2 3.84Å; A247-F249 HydrophobicContact CB-CE2 4.11Å
248G62.5Low61.9Low67 Ų6776 Ų7669%0.69145%0.452SS*.THydrogen-bonded Turntrans86.58175.200000115.5N244 W245 I246N244-G248 PolarHBondContact O-N 2.97Å; W245-G248 PolarHBondContact O-N 2.99Å; W245-G248 VanDerWaalsContact O-N 3.13Å; I246-G248 PolarHBondContact O-N 3.47Å
249F66.6Low61.7Low165 Ų16576.5 Ų76.572%0.72445%0.454SS*.  trans-91-8177.8-64-78.4000113.7N244 A247 R251N244-F249 HydrophobicContact CB-CB 4.37Å; N244-F249 WeakPolarHBondContact O-CA 3.48Å; N244-F249 WeakPolarHBondContact O-CB 3.36Å; N244-F249 PolarHBondContact O-N 2.9Å; A247-F249 HydrophobicContact CB-CD2 3.84Å; A247-F249 HydrophobicContact CB-CE2 4.11Å; F249-R251 PolarHBondContact O-N 3.44Å
250G59.5Low61.2Low33 Ų3379.8 Ų79.834%0.3449%0.488SS..  trans-82.6107179.900000112.7N244 G252N244-G250 PolarHBondContact O-N 3.49Å; G250-G252 PolarHBondContact O-N 3.1Å
251R56.8Low60.8Low259 Ų25977 Ų7798%0.97748%0.477SS*.  trans-93.286.9167.3-71.5-168.1177.3170.20.5109.6F249F249-R251 PolarHBondContact O-N 3.44Å
252G63.3Low60.1Low42 Ų4286 Ų8643%0.43350%0.5SS..SBendtrans172172178.800000112.7W245 G250W245-G252 PolarHBondContact NE1-O 3.41Å; G250-G252 PolarHBondContact O-N 3.1Å
253P59.5Low59.6Low126 Ų12691.2 Ų91.282%0.81852%0.524SS*.SBendtrans-57.114817623.4-31.6000111.1
254T60Low59Low70 Ų7092.5 Ų92.543%0.42954%0.535SS..PPolyproline II helixtrans-48.6126.217941.80000110.3W245W245-T254 HydrophobicContact CH2-CG2 3.16Å; W245-T254 HydrophobicContact CZ2-CG2 3.38Å; W245-T254 HydrophobicContact CZ3-CG2 3.81Å
255P62.6Low58.2Low23 Ų2391.9 Ų91.915%0.14954%0.537CS..PPolyproline II helixtrans-55142.2175.3-22.531.1000110.1W245 T257 L258 V259W245-P255 HydrophobicContact CB-CG 4.15Å; W245-P255 HydrophobicContact CG-CG 4.1Å; P255-T257 PolarHBondContact O-N 3.18Å; P255-L258 HydrophobicContact CB-CD1 4.46Å; P255-L258 HydrophobicContact CG-CD1 4.01Å; P255-L258 WeakPolarHBondContact O-CB 3.34Å; P255-L258 PolarHBondContact O-N 2.94Å; P255-V259 PolarHBondContact O-N 3.49Å
256P60.2Low57.3Low117 Ų11796.8 Ų96.876%0.7656%0.562SS**THydrogen-bonded Turntrans-57.9-21.5-179.420-30.5000113.2L258 V259P256-L258 VanDerWaalsContact C-N 3.28Å; P256-L258 PolarHBondContact O-N 3.49Å; P256-V259 PolarHBondContact O-N 3.34Å
257T58.6Low56.7Low43 Ų4395.4 Ų95.426%0.26456%0.562SS.*THydrogen-bonded Turntrans-69.9-19.6172.849.80000114.4P255P255-T257 PolarHBondContact O-N 3.18Å
258L56.7Low56.2Low14 Ų1494.4 Ų94.47%0.07356%0.557CS.*THydrogen-bonded Turntrans-99-12.5176.2-91.1147.4000112.7A242 W245 I246 P255 P256 G260 I261A242-L258 HydrophobicContact CB-CD1 3.83Å; A242-L258 HydrophobicContact CB-CG 4.5Å; W245-L258 HydrophobicContact CB-CD1 4.48Å; W245-L258 HydrophobicContact CD2-CD1 4.48Å; W245-L258 HydrophobicContact CE3-CD1 3.87Å; I246-L258 HydrophobicContact CD1-CD1 4.35Å; I246-L258 HydrophobicContact CD1-CD2 3.97Å; I246-L258 HydrophobicContact CG1-CD1 4.05Å; I246-L258 HydrophobicContact CG1-CD2 3.87Å; P255-L258 HydrophobicContact CB-CD1 4.46Å; P255-L258 HydrophobicContact CG-CD1 4.01Å; P255-L258 WeakPolarHBondContact O-CB 3.34Å; P255-L258 PolarHBondContact O-N 2.94Å; P256-L258 VanDerWaalsContact C-N 3.28Å; P256-L258 PolarHBondContact O-N 3.49Å; L258-G260 PolarHBondContact O-N 2.94Å; L258-G260 VanDerWaalsContact O-N 3.09Å; L258-I261 HydrophobicContact CD2-CB 4.45Å; L258-I261 HydrophobicContact CD2-CD1 4.48Å; L258-I261 PolarHBondContact O-N 3.45Å
259V52.2Low56Low103 Ų10396.1 Ų96.162%0.62455%0.551SS**THydrogen-bonded Turntrans-70.6105.4178178.90000108.3P255 P256P255-V259 PolarHBondContact O-N 3.49Å; P256-V259 PolarHBondContact O-N 3.34Å
260G49.6Very low55.8Low81 Ų8197 Ų9784%0.83555%0.549SS*.THydrogen-bonded Turntrans118.1-18.8-174.800000113.8L258 R262L258-G260 PolarHBondContact O-N 2.94Å; L258-G260 VanDerWaalsContact O-N 3.09Å; G260-R262 PolarHBondContact O-N 3.5Å
261I54.3Low56Low75 Ų75102.6 Ų102.639%0.38556%0.56SS.*SBendtrans-82.9104.3171.1-58.5-179.8000107.5F232 L258 Q263F232-I261 HydrophobicContact CE2-CD1 3.98Å; F232-I261 HydrophobicContact CZ-CD1 3.55Å; L258-I261 HydrophobicContact CD2-CB 4.45Å; L258-I261 HydrophobicContact CD2-CD1 4.48Å; L258-I261 PolarHBondContact O-N 3.45Å; I261-Q263 PolarHBondContact O-N 3.06Å
262R47.4Very low56.4Low236 Ų23696.1 Ų96.189%0.89154%0.544SS*.  trans-58.9105.9173.8-164.1175.3-170.1173.93.5108.2G260 A264G260-R262 PolarHBondContact O-N 3.5Å; R262-A264 PolarHBondContact O-N 3.43Å
263Q53.6Low56.7Low112 Ų11299.7 Ų99.752%0.52355%0.553SS.*  trans-50.8127.5178.6-83.7-174.1-28.700109.9I261 S265I261-Q263 PolarHBondContact O-N 3.06Å; Q263-S265 PolarHBondContact O-N 2.68Å
264A50.9Low57.2Low75 Ų7597 Ų9762%0.6253%0.534SS*.THydrogen-bonded Turntrans-6817.3172.200000113.3R262 H266 S267 G268R262-A264 PolarHBondContact O-N 3.43Å; A264-H266 PolarHBondContact O-N 3.04Å; A264-S267 WeakPolarHBondContact O-CA 3.39Å; A264-S267 VanDerWaalsContact O-CB 3.29Å; A264-S267 WeakPolarHBondContact O-CB 3.38Å; A264-S267 PolarHBondContact O-N 3.38Å; A264-G268 PolarHBondContact O-N 2.98Å
265S49.3Very low57.8Low69 Ų6998.1 Ų98.148%0.48354%0.537SS..Hα-helixtrans-51.3-37.2172.2179.80000111.2Q263 S267 G268 N269Q263-S265 PolarHBondContact O-N 2.68Å; S265-S267 VanDerWaalsContact C-N 3.31Å; S265-S267 PolarHBondContact O-N 3.24Å; S265-G268 PolarHBondContact O-N 3.36Å; S265-N269 PolarHBondContact O-N 3.44Å
266H49.1Very low58.4Low154 Ų154101.3 Ų101.371%0.71355%0.552SS**Hα-helixtrans-66.3-27.7175.6-135.3-55000114.3A264 R270A264-H266 PolarHBondContact O-N 3.04Å; H266-R270 VanDerWaalsContact O-CB 3.27Å; H266-R270 WeakPolarHBondContact O-CB 3.3Å; H266-R270 PolarHBondContact O-N 2.98Å
267S53.2Low59.3Low76 Ų76100.1 Ų100.153%0.53154%0.536SS..Hα-helixtrans-78-41.6177.8174.80000111.7A264 S265 R270 R271A264-S267 WeakPolarHBondContact O-CA 3.39Å; A264-S267 VanDerWaalsContact O-CB 3.29Å; A264-S267 WeakPolarHBondContact O-CB 3.38Å; A264-S267 PolarHBondContact O-N 3.38Å; S265-S267 VanDerWaalsContact C-N 3.31Å; S265-S267 PolarHBondContact O-N 3.24Å; S267-R270 PolarHBondContact O-N 2.82Å; S267-R271 WeakPolarHBondContact O-CB 3.36Å; S267-R271 PolarHBondContact O-N 2.98Å
268G54.8Low60.3Low42 Ų42100.8 Ų100.843%0.43354%0.536SS..Hα-helixtrans-61.9-49.417600000112.6A264 S265 R270 R271 L272A264-G268 PolarHBondContact O-N 2.98Å; S265-G268 PolarHBondContact O-N 3.36Å; G268-R270 VanDerWaalsContact C-N 3.34Å; G268-R270 PolarHBondContact O-N 3.25Å; G268-R271 PolarHBondContact O-N 3.15Å; G268-L272 PolarHBondContact O-N 2.62Å
269N58Low61.5Low104 Ų104106.6 Ų106.656%0.55656%0.561SS**Hα-helixtrans-62.1-41.1177.6-71.2-7.1000111.8S265 R271 L272 L273S265-N269 PolarHBondContact O-N 3.44Å; N269-R271 PolarHBondContact O-N 3.42Å; N269-L272 PolarHBondContact O-N 2.87Å; N269-L273 VanDerWaalsContact O-CG 3.29Å; N269-L273 WeakPolarHBondContact O-CG 3.37Å; N269-L273 PolarHBondContact O-N 3.5Å
270R61.5Low62.9Low184 Ų184103.9 Ų103.969%0.69454%0.544SS*.Hα-helixtrans-64.7-38.2176.9-170.5174.9178.2179.80.2112.3H266 S267 G268 V274H266-R270 VanDerWaalsContact O-CB 3.27Å; H266-R270 WeakPolarHBondContact O-CB 3.3Å; H266-R270 PolarHBondContact O-N 2.98Å; S267-R270 PolarHBondContact O-N 2.82Å; G268-R270 VanDerWaalsContact C-N 3.34Å; G268-R270 PolarHBondContact O-N 3.25Å; R270-V274 VanDerWaalsContact O-CG2 3.26Å; R270-V274 WeakPolarHBondContact O-CG2 3.31Å; R270-V274 PolarHBondContact O-N 2.91Å; R270-V274 VanDerWaalsContact O-N 3.09Å
271R64Low64.6Low150 Ų150100.7 Ų100.757%0.56651%0.507SS*.Hα-helixtrans-68.8-38.4177.5-167.9176-177.8179.20.5112.1S267 G268 N269 V274 L275S267-R271 WeakPolarHBondContact O-CB 3.36Å; S267-R271 PolarHBondContact O-N 2.98Å; G268-R271 PolarHBondContact O-N 3.15Å; N269-R271 PolarHBondContact O-N 3.42Å; R271-V274 PolarHBondContact O-N 3.24Å; R271-L275 WeakPolarHBondContact O-CG 3.43Å; R271-L275 PolarHBondContact O-N 3.37Å; R271-L275 VanDerWaalsContact O-N 3.07Å
272L65.8Low66.1Low123 Ų12399.5 Ų99.564%0.64450%0.5SS*.Hα-helixtrans-67.5-40.3177.9-161.2139.9000111.5G268 N269 L275 D276G268-L272 PolarHBondContact O-N 2.62Å; N269-L272 PolarHBondContact O-N 2.87Å; L272-L275 PolarHBondContact O-N 2.94Å; L272-D276 PolarHBondContact O-N 2.95Å
273L68.9Low68Low117 Ų11794 Ų9461%0.61348%0.479SS*.Hα-helixtrans-61.9-45.3173.1-71.1169.2000112.5N269 L275 D276 E277N269-L273 VanDerWaalsContact O-CG 3.29Å; N269-L273 WeakPolarHBondContact O-CG 3.37Å; N269-L273 PolarHBondContact O-N 3.5Å; L273-L275 VanDerWaalsContact C-N 3.31Å; L273-L275 PolarHBondContact O-N 3.2Å; L273-D276 PolarHBondContact O-N 3.3Å; L273-E277 WeakPolarHBondContact O-CB 3.28Å; L273-E277 PolarHBondContact O-N 3.1Å
274V71.5Confident69.6Low70 Ų7088.9 Ų88.942%0.42446%0.455SS..Hα-helixtrans-63.4-36.9177.7170.70000111.8R270 R271 F278R270-V274 VanDerWaalsContact O-CG2 3.26Å; R270-V274 WeakPolarHBondContact O-CG2 3.31Å; R270-V274 PolarHBondContact O-N 2.91Å; R270-V274 VanDerWaalsContact O-N 3.09Å; R271-V274 PolarHBondContact O-N 3.24Å; V274-F278 WeakPolarHBondContact O-CB 3.46Å; V274-F278 PolarHBondContact O-N 3.48Å
275L72.6Confident71.5Confident93 Ų9385.3 Ų85.349%0.48743%0.426SS..Hα-helixtrans-68-37175.5-74.2170.9000112.3R271 L272 L273 K279R271-L275 WeakPolarHBondContact O-CG 3.43Å; R271-L275 PolarHBondContact O-N 3.37Å; R271-L275 VanDerWaalsContact O-N 3.07Å; L272-L275 PolarHBondContact O-N 2.94Å; L273-L275 VanDerWaalsContact C-N 3.31Å; L273-L275 PolarHBondContact O-N 3.2Å; L275-K279 WeakPolarHBondContact O-CG 3.5Å; L275-K279 PolarHBondContact O-N 2.86Å
276D74.3Confident73.4Confident89 Ų8987.9 Ų87.948%0.47643%0.428SS..Hα-helixtrans-71.9-39.9177.4-163.550.4000112.3L272 L273 F278 K279 T280L272-D276 PolarHBondContact O-N 2.95Å; L273-D276 PolarHBondContact O-N 3.3Å; D276-F278 VanDerWaalsContact C-N 3.34Å; D276-F278 PolarHBondContact O-N 3.41Å; D276-K279 PolarHBondContact O-N 2.88Å; D276-T280 WeakPolarHBondContact O-CB 3.29Å; D276-T280 PolarHBondContact O-N 2.94Å; D276-T280 PolarHBondContact O-OG1 3.48Å
277E78.8Confident75.5Confident92 Ų9280.6 Ų80.643%0.4339%0.394SS..Hα-helixtrans-58.2-46.4171.2-172.1171.3-162.800110.7L273 K279 T280 E281L273-E277 WeakPolarHBondContact O-CB 3.28Å; L273-E277 PolarHBondContact O-N 3.1Å; E277-K279 PolarHBondContact O-N 3.22Å; E277-T280 WeakPolarHBondContact O-CB 3.48Å; E277-T280 PolarHBondContact O-N 2.96Å; E277-T280 VanDerWaalsContact O-N 3.15Å; E277-E281 WeakPolarHBondContact O-CG 3.23Å; E277-E281 PolarHBondContact O-N 3.37Å
278F79.5Confident77.4Confident58 Ų5877.1 Ų77.125%0.25437%0.369SS..Hα-helixtrans-63.9-38.5177-175-115.7000113.7I125 V274 D276 T280 E281 K282I125-F278 HydrophobicContact CG2-CE2 4.08Å; I125-F278 HydrophobicContact CG2-CZ 4.47Å; V274-F278 WeakPolarHBondContact O-CB 3.46Å; V274-F278 PolarHBondContact O-N 3.48Å; D276-F278 VanDerWaalsContact C-N 3.34Å; D276-F278 PolarHBondContact O-N 3.41Å; F278-T280 VanDerWaalsContact C-N 3.31Å; F278-E281 PolarHBondContact O-N 3.29Å; F278-K282 HydrophobicContact CD1-CD 4.38Å; F278-K282 HydrophobicContact CE1-CD 4.08Å; F278-K282 HydrophobicContact CZ-CD 4.41Å; F278-K282 WeakPolarHBondContact O-CG 3.43Å; F278-K282 PolarHBondContact O-N 3.37Å
279K81.6Confident79.3Confident136 Ų13677.3 Ų77.359%0.59136%0.359SS*.Hα-helixtrans-63.5-39.9173.5-76.2173.5-174.7175.20111.3L275 D276 E277 K282 R283L275-K279 WeakPolarHBondContact O-CG 3.5Å; L275-K279 PolarHBondContact O-N 2.86Å; D276-K279 PolarHBondContact O-N 2.88Å; E277-K279 PolarHBondContact O-N 3.22Å; K279-K282 PolarHBondContact O-N 3.47Å; K279-R283 PolarHBondContact O-N 3.13Å; K279-R283 VanDerWaalsContact O-N 3.1Å
280T82.4Confident81Confident46 Ų4674.2 Ų74.228%0.28234%0.342SS..Hα-helixtrans-64.8-47.6177.6-61.30000110.8D276 E277 F278 K282 R283 I284D276-T280 WeakPolarHBondContact O-CB 3.29Å; D276-T280 PolarHBondContact O-N 2.94Å; D276-T280 PolarHBondContact O-OG1 3.48Å; E277-T280 WeakPolarHBondContact O-CB 3.48Å; E277-T280 PolarHBondContact O-N 2.96Å; E277-T280 VanDerWaalsContact O-N 3.15Å; F278-T280 VanDerWaalsContact C-N 3.31Å; T280-K282 VanDerWaalsContact C-N 3.3Å; T280-K282 PolarHBondContact O-N 3.25Å; T280-R283 WeakPolarHBondContact O-CB 3.34Å; T280-R283 PolarHBondContact O-N 3.26Å; T280-I284 HydrophobicContact CG2-CD1 3.91Å; T280-I284 HydrophobicContact CG2-CG1 4.5Å; T280-I284 WeakPolarHBondContact O-CG1 3.38Å; T280-I284 PolarHBondContact O-N 3.14Å
281E85.2Confident82.6Confident13 Ų1365.4 Ų65.46%0.06131%0.309CS..Hα-helixtrans-59.2-38.5176-71.5-59.4131.500112.4R121 E277 F278 I284 G285R121-E281 IonicContact CZ-OE2 3.7Å; R121-E281 IonicContact NH1-OE2 2.65Å; R121-E281 PolarHBondContact NH1-OE2 2.7Å; E277-E281 WeakPolarHBondContact O-CG 3.23Å; E277-E281 PolarHBondContact O-N 3.37Å; F278-E281 PolarHBondContact O-N 3.29Å; E281-I284 PolarHBondContact O-N 3.06Å; E281-G285 PolarHBondContact O-N 3.29Å
282K85.7Confident84Confident51 Ų5158.4 Ų58.422%0.22228%0.282CS..Hα-helixtrans-63.8-40.4172.9-79-179.3173.9177.20113.1V211 F278 K279 T280 G285 K286V211-K282 HydrophobicContact CG1-CD 4.45Å; F278-K282 HydrophobicContact CD1-CD 4.38Å; F278-K282 HydrophobicContact CE1-CD 4.08Å; F278-K282 HydrophobicContact CZ-CD 4.41Å; F278-K282 WeakPolarHBondContact O-CG 3.43Å; F278-K282 PolarHBondContact O-N 3.37Å; K279-K282 PolarHBondContact O-N 3.47Å; T280-K282 VanDerWaalsContact C-N 3.3Å; T280-K282 PolarHBondContact O-N 3.25Å; K282-G285 PolarHBondContact O-N 3.38Å; K282-K286 PolarHBondContact O-N 3.05Å
283R86.9Confident85.4Confident121 Ų12155.6 Ų55.646%0.45727%0.268SS..Hα-helixtrans-65.3-44.8177.5-172.7-174.3-62.7165.82.4110.6K279 T280 K286 M287K279-R283 PolarHBondContact O-N 3.13Å; K279-R283 VanDerWaalsContact O-N 3.1Å; T280-R283 WeakPolarHBondContact O-CB 3.34Å; T280-R283 PolarHBondContact O-N 3.26Å; R283-K286 PolarHBondContact O-N 2.95Å; R283-M287 PolarHBondContact O-N 2.73Å
284I88.2Confident86.6Confident4 Ų451 Ų512%0.02125%0.246CC..Hα-helixtrans-62.3-44.1175.6-65.8170000110.3P57 Y58 T280 E281 K286 M287 Y288P57-I284 HydrophobicContact CB-CG2 3.71Å; P57-I284 HydrophobicContact CG-CD1 4.26Å; P57-I284 HydrophobicContact CG-CG2 4.26Å; Y58-I284 HydrophobicContact CE2-CD1 4.4Å; T280-I284 HydrophobicContact CG2-CD1 3.91Å; T280-I284 HydrophobicContact CG2-CG1 4.5Å; T280-I284 WeakPolarHBondContact O-CG1 3.38Å; T280-I284 PolarHBondContact O-N 3.14Å; E281-I284 PolarHBondContact O-N 3.06Å; I284-K286 VanDerWaalsContact C-N 3.33Å; I284-K286 PolarHBondContact O-N 3.41Å; I284-M287 WeakPolarHBondContact O-CB 3.46Å; I284-M287 PolarHBondContact O-N 2.91Å; I284-Y288 HydrophobicContact CG2-CD2 3.8Å; I284-Y288 HydrophobicContact CG2-CE2 3.91Å; I284-Y288 WeakPolarHBondContact O-CD2 3.25Å; I284-Y288 PolarHBondContact O-N 3.45Å
285G89.9Confident87.7Confident0 Ų047.8 Ų47.80%023%0.226CC..Hα-helixtrans-58.7-41.4174.800000112.9E281 K282 Y288 F289E281-G285 PolarHBondContact O-N 3.29Å; K282-G285 PolarHBondContact O-N 3.38Å; G285-Y288 PolarHBondContact O-N 2.88Å; G285-F289 WeakPolarHBondContact O-CB 3.44Å; G285-F289 PolarHBondContact O-N 3Å
286K89.8Confident88.7Confident123 Ų12346.3 Ų46.354%0.53522%0.219SC..Hα-helixtrans-64.4-43.3174.4-178.6178.9175.5178.20112.2K282 R283 I284 Y288 F289 L290K282-K286 PolarHBondContact O-N 3.05Å; R283-K286 PolarHBondContact O-N 2.95Å; I284-K286 VanDerWaalsContact C-N 3.33Å; I284-K286 PolarHBondContact O-N 3.41Å; K286-Y288 VanDerWaalsContact C-N 3.34Å; K286-Y288 PolarHBondContact O-N 3.15Å; K286-F289 PolarHBondContact O-N 3.42Å; K286-L290 HydrophobicContact CG-CD1 4.29Å; K286-L290 WeakPolarHBondContact O-CG 3.35Å; K286-L290 PolarHBondContact O-N 3.04Å; K286-L290 VanDerWaalsContact O-N 3.07Å
287M93Very high89.6Confident1 Ų146.4 Ų46.41%0.00522%0.223CC..Hα-helixtrans-56.7-50176.6-179.7-169.184.800110.5L61 R283 I284 F289 L290 I291 F343 N344L61-M287 HydrophobicContact CD2-CE 4.13Å; R283-M287 PolarHBondContact O-N 2.73Å; I284-M287 WeakPolarHBondContact O-CB 3.46Å; I284-M287 PolarHBondContact O-N 2.91Å; M287-F289 PolarHBondContact O-N 3.37Å; M287-L290 WeakPolarHBondContact O-CB 3.37Å; M287-L290 PolarHBondContact O-N 2.68Å; M287-I291 HydrophobicContact CE-CD1 4.46Å; M287-I291 HydrophobicContact CG-CD1 4.38Å; M287-I291 WeakPolarHBondContact O-CG1 3.33Å; M287-I291 PolarHBondContact O-N 2.86Å; M287-F343 HydrophobicContact CB-CB 4.26Å; M287-F343 HydrophobicContact CG-CB 4.37Å; M287-N344 HydrophobicContact SD-CB 3.93Å
288Y93.9Very high90.4Very high2 Ų243.9 Ų43.91%0.00821%0.212CC..Hα-helixtrans-65.2-39.2179-87.2-63.4000114.1P57 L61 V117 R121 I284 G285 K286 L290 I291 T292P57-Y288 HydrophobicContact CB-CE2 4.02Å; P57-Y288 PolarHBondContact O-OH 2.81Å; L61-Y288 WeakPolarHBondContact CA-OH 3.35Å; L61-Y288 VanDerWaalsContact CB-OH 3.27Å; L61-Y288 WeakPolarHBondContact CB-OH 3.38Å; L61-Y288 HydrophobicContact CD1-CE1 4.46Å; L61-Y288 PolarHBondContact N-OH 2.68Å; L61-Y288 VanDerWaalsContact N-OH 3.1Å; V117-Y288 HydrophobicContact CG1-CD1 3.44Å; V117-Y288 VanDerWaalsContact CG1-CD1 3.44Å; V117-Y288 HydrophobicContact CG1-CD2 4.09Å; V117-Y288 HydrophobicContact CG1-CE1 3.73Å; V117-Y288 HydrophobicContact CG1-CE2 4.33Å; V117-Y288 HydrophobicContact CG1-CG 3.6Å; V117-Y288 HydrophobicContact CG2-CE1 4.43Å; R121-Y288 HydrophobicContact CG-CD2 4.32Å; I284-Y288 HydrophobicContact CG2-CD2 3.8Å; I284-Y288 HydrophobicContact CG2-CE2 3.91Å; I284-Y288 WeakPolarHBondContact O-CD2 3.25Å; I284-Y288 PolarHBondContact O-N 3.45Å; G285-Y288 PolarHBondContact O-N 2.88Å; K286-Y288 VanDerWaalsContact C-N 3.34Å; K286-Y288 PolarHBondContact O-N 3.15Å; Y288-L290 VanDerWaalsContact C-N 3.26Å; Y288-L290 PolarHBondContact O-N 2.73Å; Y288-I291 HydrophobicContact CD1-CD1 4.08Å; Y288-I291 HydrophobicContact CE1-CD1 4.32Å; Y288-I291 WeakPolarHBondContact O-CB 3.28Å; Y288-I291 PolarHBondContact O-N 3.5Å; Y288-T292 PolarHBondContact O-N 3.32Å; Y288-T292 PolarHBondContact O-OG1 3.39Å
289F93.7Very high91Very high47 Ų4742.4 Ų42.421%0.20621%0.205CC..Hα-helixtrans-57.2-41.7172.7171.1-105.9000111.9Y204 L208 G285 K286 M287 T292 L293Y204-F289 HydrophobicContact CD1-CB 4.02Å; Y204-F289 AromaticContact CD1-CD2 3.93Å; Y204-F289 HydrophobicContact CD1-CD2 3.93Å; Y204-F289 HydrophobicContact CD1-CG 4.47Å; Y204-F289 HydrophobicContact CD2-CD2 4.46Å; Y204-F289 HydrophobicContact CE1-CB 4.07Å; Y204-F289 AromaticContact CG-CD2 3.83Å; Y204-F289 HydrophobicContact CG-CD2 3.83Å; L208-F289 HydrophobicContact CD1-CD2 4.34Å; L208-F289 HydrophobicContact CD1-CE1 4.4Å; L208-F289 HydrophobicContact CD1-CE2 3.99Å; L208-F289 HydrophobicContact CD1-CZ 4.01Å; G285-F289 WeakPolarHBondContact O-CB 3.44Å; G285-F289 PolarHBondContact O-N 3Å; K286-F289 PolarHBondContact O-N 3.42Å; M287-F289 PolarHBondContact O-N 3.37Å; F289-T292 PolarHBondContact O-N 2.92Å; F289-L293 HydrophobicContact CE1-CD2 4.46Å; F289-L293 WeakPolarHBondContact O-CB 3.36Å; F289-L293 PolarHBondContact O-N 3.35Å
290L93.9Very high91.5Very high38 Ų3838 Ų3820%0.19919%0.193CC..Hα-helixtrans-68.1-36.5177.4-68170000112.4K286 M287 Y288 L293 A294 I339 F343K286-L290 HydrophobicContact CG-CD1 4.29Å; K286-L290 WeakPolarHBondContact O-CG 3.35Å; K286-L290 PolarHBondContact O-N 3.04Å; K286-L290 VanDerWaalsContact O-N 3.07Å; M287-L290 WeakPolarHBondContact O-CB 3.37Å; M287-L290 PolarHBondContact O-N 2.68Å; Y288-L290 VanDerWaalsContact C-N 3.26Å; Y288-L290 PolarHBondContact O-N 2.73Å; L290-L293 PolarHBondContact O-N 2.87Å; L290-A294 WeakPolarHBondContact O-CB 3.39Å; L290-A294 PolarHBondContact O-N 2.87Å; L290-I339 HydrophobicContact CB-CG2 3.78Å; L290-F343 HydrophobicContact CD1-CD1 3.61Å; L290-F343 HydrophobicContact CD1-CD2 3.53Å; L290-F343 HydrophobicContact CD1-CE1 3.47Å; L290-F343 VanDerWaalsContact CD1-CE1 3.47Å; L290-F343 HydrophobicContact CD1-CE2 3.4Å; L290-F343 VanDerWaalsContact CD1-CE2 3.4Å; L290-F343 HydrophobicContact CD1-CG 3.64Å; L290-F343 HydrophobicContact CD1-CZ 3.36Å
291I94.6Very high92Very high0 Ų037.2 Ų37.20%019%0.189CC..Hα-helixtrans-60.3-48.2172.5-68.6170.6000110.3L61 L64 L114 M287 Y288 L293 A294 F295 N336 I339L61-I291 HydrophobicContact CD1-CD1 4.27Å; L64-I291 HydrophobicContact CD2-CG2 4.13Å; L114-I291 HydrophobicContact CD2-CG2 3.89Å; M287-I291 HydrophobicContact CE-CD1 4.46Å; M287-I291 HydrophobicContact CG-CD1 4.38Å; M287-I291 WeakPolarHBondContact O-CG1 3.33Å; M287-I291 PolarHBondContact O-N 2.86Å; Y288-I291 HydrophobicContact CD1-CD1 4.08Å; Y288-I291 HydrophobicContact CE1-CD1 4.32Å; Y288-I291 WeakPolarHBondContact O-CB 3.28Å; Y288-I291 PolarHBondContact O-N 3.5Å; I291-L293 PolarHBondContact O-N 2.9Å; I291-A294 PolarHBondContact O-N 3.11Å; I291-F295 PolarHBondContact O-N 2.86Å; I291-N336 VanDerWaalsContact CG2-OD1 3.31Å; I291-N336 WeakPolarHBondContact CG2-OD1 3.49Å; I291-I339 HydrophobicContact CG1-CB 4.04Å; I291-I339 HydrophobicContact CG1-CD1 4.25Å; I291-I339 HydrophobicContact CG1-CG2 3.7Å
292T94.4Very high92.3Very high2 Ų237.5 Ų37.51%0.01219%0.189CC..Hα-helixtrans-64.1-39177.5-57.40000112.6T200 Y204 Y288 F289 F295 L296T200-T292 HydrophobicContact CG2-CG2 3.71Å; Y204-T292 HydrophobicContact CD2-CG2 3.99Å; Y204-T292 HydrophobicContact CE2-CG2 3.75Å; Y204-T292 WeakPolarHBondContact CE2-OG1 3.22Å; Y204-T292 PolarHBondContact OH-OG1 2.8Å; Y288-T292 PolarHBondContact O-N 3.32Å; Y288-T292 PolarHBondContact O-OG1 3.39Å; F289-T292 PolarHBondContact O-N 2.92Å; T292-F295 WeakPolarHBondContact O-CB 3.3Å; T292-F295 PolarHBondContact O-N 3.38Å; T292-L296 PolarHBondContact O-N 2.91Å; T292-L296 VanDerWaalsContact O-N 3.12Å
293L93.9Very high92.4Very high65 Ų6536 Ų3634%0.3418%0.184SC..Hα-helixtrans-65.5-40.3176.5-176.165.4000111.5F289 L290 I291 F295 L296 V297F289-L293 HydrophobicContact CE1-CD2 4.46Å; F289-L293 WeakPolarHBondContact O-CB 3.36Å; F289-L293 PolarHBondContact O-N 3.35Å; L290-L293 PolarHBondContact O-N 2.87Å; I291-L293 PolarHBondContact O-N 2.9Å; L293-F295 VanDerWaalsContact C-N 3.31Å; L293-F295 PolarHBondContact O-N 2.94Å; L293-L296 PolarHBondContact O-N 3.27Å; L293-V297 WeakPolarHBondContact O-CG2 3.14Å; L293-V297 PolarHBondContact O-N 2.99Å
294A94.4Very high92.4Very high19 Ų1932.6 Ų32.616%0.15718%0.178CC..Hα-helixtrans-61.4-41.5174.800000111.4L290 I291 L296 V297 L298 Q332 I339L290-A294 WeakPolarHBondContact O-CB 3.39Å; L290-A294 PolarHBondContact O-N 2.87Å; I291-A294 PolarHBondContact O-N 3.11Å; A294-L296 VanDerWaalsContact C-N 3.35Å; A294-L296 PolarHBondContact O-N 3.16Å; A294-V297 PolarHBondContact O-N 2.96Å; A294-L298 WeakPolarHBondContact O-CB 3.49Å; A294-L298 WeakPolarHBondContact O-CG 3.29Å; A294-L298 PolarHBondContact O-N 2.98Å; A294-Q332 PolarHBondContact O-OE1 3Å; A294-I339 HydrophobicContact CB-CD1 3.55Å
295F94.1Very high92.4Very high3 Ų332.4 Ų32.41%0.01318%0.178CC..Hα-helixtrans-56-48.2173.1-179.2-91000111.6V110 A111 L114 V197 I291 T292 L293 V297 W299 Q332V110-F295 HydrophobicContact CG1-CD2 4.16Å; V110-F295 HydrophobicContact CG1-CE2 3.48Å; V110-F295 VanDerWaalsContact CG1-CE2 3.48Å; V110-F295 HydrophobicContact CG1-CZ 4.21Å; V110-F295 HydrophobicContact CG2-CD2 4.17Å; V110-F295 HydrophobicContact CG2-CE2 4.29Å; A111-F295 HydrophobicContact CB-CZ 4.46Å; L114-F295 HydrophobicContact CD1-CB 3.81Å; L114-F295 HydrophobicContact CD1-CD1 4.29Å; L114-F295 HydrophobicContact CD1-CD2 4.16Å; L114-F295 HydrophobicContact CD1-CG 3.81Å; V197-F295 HydrophobicContact CG2-CD1 4.37Å; V197-F295 HydrophobicContact CG2-CE1 3.69Å; I291-F295 PolarHBondContact O-N 2.86Å; T292-F295 WeakPolarHBondContact O-CB 3.3Å; T292-F295 PolarHBondContact O-N 3.38Å; L293-F295 VanDerWaalsContact C-N 3.31Å; L293-F295 PolarHBondContact O-N 2.94Å; F295-V297 PolarHBondContact O-N 3.49Å; F295-W299 AromaticContact CD2-CD1 3.48Å; F295-W299 VanDerWaalsContact CD2-CD1 3.48Å; F295-W299 HydrophobicContact CD2-CG 4.31Å; F295-W299 AromaticContact CD2-NE1 3.61Å; F295-W299 HydrophobicContact CE1-CG 4.4Å; F295-W299 AromaticContact CE2-CD1 3.43Å; F295-W299 VanDerWaalsContact CE2-CD1 3.43Å; F295-W299 HydrophobicContact CE2-CD2 4.17Å; F295-W299 AromaticContact CE2-CE2 3.81Å; F295-W299 AromaticContact CE2-CG 3.94Å; F295-W299 HydrophobicContact CE2-CG 3.94Å; F295-W299 AromaticContact CE2-NE1 3.33Å; F295-W299 VanDerWaalsContact CE2-NE1 3.33Å; F295-W299 AromaticContact CZ-CD1 3.92Å; F295-W299 HydrophobicContact CZ-CD2 4.24Å; F295-W299 AromaticContact CZ-CG 3.99Å; F295-W299 HydrophobicContact CZ-CG 3.99Å; F295-W299 VanDerWaalsContact O-CB 3.26Å; F295-W299 WeakPolarHBondContact O-CB 3.4Å; F295-W299 VanDerWaalsContact O-CD1 3.26Å; F295-W299 PolarHBondContact O-N 3.06Å; F295-Q332 HydrophobicContact CD2-CG 4.14Å
296L93.6Very high92.1Very high63 Ų6332.5 Ų32.533%0.3318%0.178SC..Hα-helixtrans-59.8-48.8177.2178.767.1000112.1V197 H201 T292 L293 A294 L298 A300V197-L296 HydrophobicContact CG1-CD1 3.75Å; H201-L296 WeakPolarHBondContact NE2-CD2 3.32Å; T292-L296 PolarHBondContact O-N 2.91Å; T292-L296 VanDerWaalsContact O-N 3.12Å; L293-L296 PolarHBondContact O-N 3.27Å; A294-L296 VanDerWaalsContact C-N 3.35Å; A294-L296 PolarHBondContact O-N 3.16Å; L296-L298 PolarHBondContact O-N 3.48Å; L296-A300 WeakPolarHBondContact O-CB 3.4Å; L296-A300 PolarHBondContact O-N 2.93Å
297V94.5Very high91.8Very high91 Ų9128.5 Ų28.555%0.55216%0.16SC*.Hα-helixtrans-65.2-41.8-175.7171.60000111.6L293 A294 F295 P301L293-V297 WeakPolarHBondContact O-CG2 3.14Å; L293-V297 PolarHBondContact O-N 2.99Å; A294-V297 PolarHBondContact O-N 2.96Å; F295-V297 PolarHBondContact O-N 3.49Å; V297-P301 VanDerWaalsContact O-CD 3.29Å; V297-P301 WeakPolarHBondContact O-CD 3.18Å
298L94.8Very high91.3Very high38 Ų3832.4 Ų32.420%0.19918%0.18CC..Hα-helixtrans-78.6-27.7-176.9-71.3172.2000112.9A294 L296 M328 Q332 A335A294-L298 WeakPolarHBondContact O-CB 3.49Å; A294-L298 WeakPolarHBondContact O-CG 3.29Å; A294-L298 PolarHBondContact O-N 2.98Å; L296-L298 PolarHBondContact O-N 3.48Å; L298-M328 HydrophobicContact CD2-CB 4.08Å; L298-M328 HydrophobicContact CD2-CG 4.27Å; L298-M328 CarbonylContact O-C 3.06Å; L298-M328 WeakPolarHBondContact O-CB 3.17Å; L298-Q332 HydrophobicContact CB-CB 4.29Å; L298-Q332 HydrophobicContact CD1-CB 4.18Å; L298-Q332 VanDerWaalsContact CD1-OE1 3.24Å; L298-A335 HydrophobicContact CD1-CB 4.3Å
299W92.8Very high90.6Very high28 Ų2835 Ų3511%0.10619%0.19CC..Hα-helixtrans-93.1-22.8177.4-7780.7000114.5C107 F295 Y302 I303C107-W299 HydrophobicContact CB-CH2 3.99Å; C107-W299 WeakPolarHBondContact SG-CH2 3.35Å; C107-W299 VanDerWaalsContact SG-CZ3 3.58Å; F295-W299 AromaticContact CD2-CD1 3.48Å; F295-W299 VanDerWaalsContact CD2-CD1 3.48Å; F295-W299 HydrophobicContact CD2-CG 4.31Å; F295-W299 AromaticContact CD2-NE1 3.61Å; F295-W299 HydrophobicContact CE1-CG 4.4Å; F295-W299 AromaticContact CE2-CD1 3.43Å; F295-W299 VanDerWaalsContact CE2-CD1 3.43Å; F295-W299 HydrophobicContact CE2-CD2 4.17Å; F295-W299 AromaticContact CE2-CE2 3.81Å; F295-W299 AromaticContact CE2-CG 3.94Å; F295-W299 HydrophobicContact CE2-CG 3.94Å; F295-W299 AromaticContact CE2-NE1 3.33Å; F295-W299 VanDerWaalsContact CE2-NE1 3.33Å; F295-W299 AromaticContact CZ-CD1 3.92Å; F295-W299 HydrophobicContact CZ-CD2 4.24Å; F295-W299 AromaticContact CZ-CG 3.99Å; F295-W299 HydrophobicContact CZ-CG 3.99Å; F295-W299 VanDerWaalsContact O-CB 3.26Å; F295-W299 WeakPolarHBondContact O-CB 3.4Å; F295-W299 VanDerWaalsContact O-CD1 3.26Å; F295-W299 PolarHBondContact O-N 3.06Å; W299-Y302 HydrophobicContact CE3-CD1 4.01Å; W299-Y302 AromaticContact CZ3-CD1 3.91Å; W299-Y302 HydrophobicContact CZ3-CD1 3.91Å; W299-Y302 HydrophobicContact CZ3-CE1 4.24Å; W299-Y302 PolarHBondContact O-N 3.49Å; W299-Y302 VanDerWaalsContact O-N 3.13Å; W299-I303 HydrophobicContact CB-CD1 4.14Å; W299-I303 WeakPolarHBondContact O-CG1 3.18Å; W299-I303 PolarHBondContact O-N 3.43Å
300A91.9Very high89.8Confident43 Ų4332.8 Ų32.836%0.35518%0.18SC..Hα-helixtrans-55.2-43.8-177.200000113.9L296 Y302 I303 S304L296-A300 WeakPolarHBondContact O-CB 3.4Å; L296-A300 PolarHBondContact O-N 2.93Å; A300-Y302 VanDerWaalsContact C-N 3.33Å; A300-Y302 PolarHBondContact O-N 3.09Å; A300-I303 PolarHBondContact O-N 3.17Å; A300-S304 WeakPolarHBondContact O-CB 3.36Å; A300-S304 PolarHBondContact O-N 3.44Å; A300-S304 PolarHBondContact O-OG 3.48Å
301P93.4Very high89.1Confident29 Ų2936.3 Ų36.319%0.18819%0.194CC..Hα-helixtrans-61.7-40.7177.5-25.938.1000112.4V297 S304 A305 A325 M328V297-P301 VanDerWaalsContact O-CD 3.29Å; V297-P301 WeakPolarHBondContact O-CD 3.18Å; P301-S304 PolarHBondContact O-N 2.9Å; P301-S304 PolarHBondContact O-OG 2.83Å; P301-A305 PolarHBondContact O-N 3.03Å; P301-A325 HydrophobicContact CB-CB 3.94Å; P301-M328 HydrophobicContact CB-CE 3.45Å; P301-M328 VanDerWaalsContact CB-CE 3.45Å; P301-M328 HydrophobicContact CG-CE 3.39Å; P301-M328 HydrophobicContact CG-SD 3.97Å
302Y90.1Very high88.3Confident19 Ų1939.7 Ų39.78%0.07522%0.215CC..Hα-helixtrans-65.7-50.5177.2-174.2-108000111.5E171 W299 A300 S304 A305 C306 V326E171-Y302 WeakPolarHBondContact OE2-CE2 3.4Å; E171-Y302 PolarHBondContact OE2-OH 2.94Å; W299-Y302 HydrophobicContact CE3-CD1 4.01Å; W299-Y302 AromaticContact CZ3-CD1 3.91Å; W299-Y302 HydrophobicContact CZ3-CD1 3.91Å; W299-Y302 HydrophobicContact CZ3-CE1 4.24Å; W299-Y302 PolarHBondContact O-N 3.49Å; W299-Y302 VanDerWaalsContact O-N 3.13Å; A300-Y302 VanDerWaalsContact C-N 3.33Å; A300-Y302 PolarHBondContact O-N 3.09Å; Y302-S304 VanDerWaalsContact C-N 3.25Å; Y302-S304 PolarHBondContact O-N 2.87Å; Y302-A305 WeakPolarHBondContact O-CB 3.31Å; Y302-A305 PolarHBondContact O-N 2.63Å; Y302-A305 VanDerWaalsContact O-N 3.09Å; Y302-C306 PolarHBondContact O-N 3.14Å; Y302-C306 PolarHBondContact O-SG 3.17Å; Y302-V326 HydrophobicContact CD2-CG2 4.01Å; Y302-V326 HydrophobicContact CE2-CG2 3.86Å
303I88.6Confident87.1Confident20 Ų2049.4 Ų49.410%0.10325%0.251CS..Hα-helixtrans-57.3-42.3177.4-67172000110.5M190 L193 V194 W299 A300 C306 Y307M190-I303 HydrophobicContact CE-CG2 4.23Å; L193-I303 HydrophobicContact CD2-CD1 4.11Å; L193-I303 HydrophobicContact CD2-CG1 4.34Å; V194-I303 HydrophobicContact CG2-CG2 4.05Å; W299-I303 HydrophobicContact CB-CD1 4.14Å; W299-I303 WeakPolarHBondContact O-CG1 3.18Å; W299-I303 PolarHBondContact O-N 3.43Å; A300-I303 PolarHBondContact O-N 3.17Å; I303-C306 PolarHBondContact O-N 2.94Å; I303-Y307 HydrophobicContact CG2-CD2 3.66Å; I303-Y307 HydrophobicContact CG2-CE2 3.55Å; I303-Y307 WeakPolarHBondContact O-CD2 3.38Å; I303-Y307 PolarHBondContact O-N 3.12Å
304S88Confident85.7Confident49 Ų4949.9 Ų49.934%0.34327%0.272SS..Hα-helixtrans-63.3-42.2177.4760000112.5A300 P301 Y302 Y307 L308A300-S304 WeakPolarHBondContact O-CB 3.36Å; A300-S304 PolarHBondContact O-N 3.44Å; A300-S304 PolarHBondContact O-OG 3.48Å; P301-S304 PolarHBondContact O-N 2.9Å; P301-S304 PolarHBondContact O-OG 2.83Å; Y302-S304 VanDerWaalsContact C-N 3.25Å; Y302-S304 PolarHBondContact O-N 2.87Å; S304-Y307 PolarHBondContact O-N 3.4Å; S304-L308 VanDerWaalsContact O-CG 3.31Å; S304-L308 WeakPolarHBondContact O-CG 3.47Å; S304-L308 PolarHBondContact O-N 3.04Å
305A86.4Confident84.4Confident1 Ų150.8 Ų50.81%0.00828%0.279CS..Hα-helixtrans-63.1-43.2176.300000111.6P301 Y302 Y307 L308 R309 L322P301-A305 PolarHBondContact O-N 3.03Å; Y302-A305 WeakPolarHBondContact O-CB 3.31Å; Y302-A305 PolarHBondContact O-N 2.63Å; Y302-A305 VanDerWaalsContact O-N 3.09Å; A305-Y307 PolarHBondContact O-N 3.17Å; A305-L308 PolarHBondContact O-N 3.16Å; A305-R309 WeakPolarHBondContact O-CG 3.4Å; A305-R309 PolarHBondContact O-N 2.95Å; A305-L322 HydrophobicContact CB-CD1 4.38Å
306C83.6Confident83.2Confident1 Ų156.6 Ų56.61%0.00732%0.317CS..Hα-helixtrans-60-44.5175.5-61.10000111.7H178 M190 Y302 I303 R309 I310H178-C306 PolarHBondContact NE2-SG 3Å; M190-C306 HydrophobicContact CE-CB 3.44Å; M190-C306 VanDerWaalsContact CE-CB 3.44Å; M190-C306 HydrophobicContact SD-CB 4.34Å; Y302-C306 PolarHBondContact O-N 3.14Å; Y302-C306 PolarHBondContact O-SG 3.17Å; I303-C306 PolarHBondContact O-N 2.94Å; C306-R309 PolarHBondContact O-N 3.44Å; C306-I310 WeakPolarHBondContact O-CD1 3.47Å; C306-I310 VanDerWaalsContact O-CG1 3.29Å; C306-I310 WeakPolarHBondContact O-CG1 3.21Å; C306-I310 PolarHBondContact O-N 3.46Å
307Y83.6Confident82.5Confident39 Ų3955 Ų5515%0.15331%0.309CS..Hα-helixtrans-66.2-38.5176.7-84.9-64.3000113.3M190 L191 V194 I303 S304 A305 R309 I310 F311M190-Y307 HydrophobicContact CB-CE1 4.09Å; M190-Y307 HydrophobicContact CB-CE2 4.39Å; M190-Y307 HydrophobicContact CE-CE2 4.38Å; M190-Y307 PolarHBondContact O-OH 2.94Å; M190-Y307 VanDerWaalsContact O-OH 3.09Å; L191-Y307 WeakPolarHBondContact CA-OH 3.46Å; L191-Y307 PolarHBondContact N-OH 3.33Å; V194-Y307 HydrophobicContact CG2-CE2 3.54Å; V194-Y307 VanDerWaalsContact CG2-OH 3.27Å; V194-Y307 WeakPolarHBondContact CG2-OH 3.35Å; I303-Y307 HydrophobicContact CG2-CD2 3.66Å; I303-Y307 HydrophobicContact CG2-CE2 3.55Å; I303-Y307 WeakPolarHBondContact O-CD2 3.38Å; I303-Y307 PolarHBondContact O-N 3.12Å; S304-Y307 PolarHBondContact O-N 3.4Å; A305-Y307 PolarHBondContact O-N 3.17Å; Y307-R309 VanDerWaalsContact C-N 3.32Å; Y307-R309 PolarHBondContact O-N 3.37Å; Y307-I310 PolarHBondContact O-N 3.12Å; Y307-F311 AromaticContact CD1-CD2 3.99Å; Y307-F311 HydrophobicContact CD1-CD2 3.99Å; Y307-F311 AromaticContact CD1-CE2 3.43Å; Y307-F311 HydrophobicContact CD1-CE2 3.43Å; Y307-F311 VanDerWaalsContact CD1-CE2 3.43Å; Y307-F311 HydrophobicContact CD1-CZ 4.41Å; Y307-F311 HydrophobicContact CE1-CE2 4.04Å; Y307-F311 HydrophobicContact CG-CE2 4.34Å; Y307-F311 VanDerWaalsContact O-CD2 3.32Å; Y307-F311 WeakPolarHBondContact O-CD2 3.38Å; Y307-F311 PolarHBondContact O-N 3.41Å
308L83.1Confident82Confident83 Ų8354.7 Ų54.744%0.43531%0.309SS..Hα-helixtrans-60.6-42.5174.7-73.4173.1000111.2S304 A305 I310 V312 I317S304-L308 VanDerWaalsContact O-CG 3.31Å; S304-L308 WeakPolarHBondContact O-CG 3.47Å; S304-L308 PolarHBondContact O-N 3.04Å; A305-L308 PolarHBondContact O-N 3.16Å; L308-I310 VanDerWaalsContact C-N 3.31Å; L308-I310 PolarHBondContact O-N 3.28Å; L308-V312 HydrophobicContact CD2-CG2 4.45Å; L308-V312 WeakPolarHBondContact O-CB 2.93Å; L308-V312 PolarHBondContact O-N 3.44Å; L308-I317 HydrophobicContact CB-CD1 4.31Å
309R79Confident81.4Confident57 Ų5758.4 Ų58.422%0.21533%0.325CS..Hα-helixtrans-62.1-37.2173.8-70.6-175.5168.4173.9-9.4113E171 H178 A305 C306 Y307 I317E171-R309 IonicContact OE1-CZ 3.8Å; E171-R309 IonicContact OE1-NH1 2.68Å; E171-R309 PolarHBondContact OE1-NH1 2.97Å; H178-R309 HydrophobicContact CB-CB 4.28Å; A305-R309 WeakPolarHBondContact O-CG 3.4Å; A305-R309 PolarHBondContact O-N 2.95Å; C306-R309 PolarHBondContact O-N 3.44Å; Y307-R309 VanDerWaalsContact C-N 3.32Å; Y307-R309 PolarHBondContact O-N 3.37Å; R309-I317 HydrophobicContact CG-CD1 3.39Å
310I78Confident81.1Confident0 Ų063.9 Ų63.90%036%0.355CS..Hα-helixtrans-70.3-51.4179.7-69.6162.7000110.6H178 Y180 V181 L187 M190 C306 Y307 L308H178-I310 HydrophobicContact CB-CG1 4.41Å; Y180-I310 VanDerWaalsContact CD2-O 3.22Å; Y180-I310 WeakPolarHBondContact CD2-O 3.46Å; V181-I310 HydrophobicContact CG2-CG2 3.88Å; V181-I310 WeakPolarHBondContact CG2-O 3.4Å; V181-I310 PolarHBondContact N-O 2.91Å; L187-I310 HydrophobicContact CD1-CG2 4.34Å; M190-I310 HydrophobicContact CB-CD1 4.5Å; M190-I310 HydrophobicContact CG-CD1 3.93Å; C306-I310 WeakPolarHBondContact O-CD1 3.47Å; C306-I310 VanDerWaalsContact O-CG1 3.29Å; C306-I310 WeakPolarHBondContact O-CG1 3.21Å; C306-I310 PolarHBondContact O-N 3.46Å; Y307-I310 PolarHBondContact O-N 3.12Å; L308-I310 VanDerWaalsContact C-N 3.31Å; L308-I310 PolarHBondContact O-N 3.28Å
311F78.8Confident80.9Confident112 Ų11265.5 Ų65.549%0.49136%0.356SS..Hα-helixtrans-86.3-31.8-170-73.3-64.9000114.9V181 L187 Y307V181-F311 HydrophobicContact CG2-CD1 4.1Å; L187-F311 HydrophobicContact CD1-CE1 4.12Å; L187-F311 HydrophobicContact CD1-CZ 3.98Å; Y307-F311 AromaticContact CD1-CD2 3.99Å; Y307-F311 HydrophobicContact CD1-CD2 3.99Å; Y307-F311 AromaticContact CD1-CE2 3.43Å; Y307-F311 HydrophobicContact CD1-CE2 3.43Å; Y307-F311 VanDerWaalsContact CD1-CE2 3.43Å; Y307-F311 HydrophobicContact CD1-CZ 4.41Å; Y307-F311 HydrophobicContact CE1-CE2 4.04Å; Y307-F311 HydrophobicContact CG-CE2 4.34Å; Y307-F311 VanDerWaalsContact O-CD2 3.32Å; Y307-F311 WeakPolarHBondContact O-CD2 3.38Å; Y307-F311 PolarHBondContact O-N 3.41Å
312V77.6Confident80.7Confident71 Ų7164.3 Ų64.343%0.4335%0.348SS..SBendtrans-106.2109.3-175.5-167.90000109.7L308 G314 A315L308-V312 HydrophobicContact CD2-CG2 4.45Å; L308-V312 WeakPolarHBondContact O-CB 2.93Å; L308-V312 PolarHBondContact O-N 3.44Å; V312-G314 PolarHBondContact O-N 3.21Å; V312-A315 HydrophobicContact CB-CB 3.79Å; V312-A315 HydrophobicContact CG1-CB 3.65Å; V312-A315 PolarHBondContact O-N 2.93Å
313R68.3Low80.6Confident207 Ų20764.8 Ų64.878%0.78135%0.353SS*.THydrogen-bonded Turntrans-65.8117.3179.6-167.7175.4179.1179.2-2.2110Y180 A315Y180-R313 HydrophobicContact CD2-CB 3.83Å; Y180-R313 HydrophobicContact CD2-CG 4.3Å; Y180-R313 HydrophobicContact CE2-CB 3.6Å; Y180-R313 HydrophobicContact CE2-CG 4.37Å; Y180-R313 HydrophobicContact CG-CB 4.45Å; Y180-R313 HydrophobicContact CG-CG 4.44Å; R313-A315 VanDerWaalsContact C-N 3.31Å; R313-A315 PolarHBondContact O-N 3.23Å
314G65.6Low80.7Confident75 Ų7565.9 Ų65.977%0.77337%0.365SS*.THydrogen-bonded Turntrans69.523.4174.300000114.5V312 P316V312-G314 PolarHBondContact O-N 3.21Å; G314-P316 VanDerWaalsContact O-CD 3.22Å; G314-P316 WeakPolarHBondContact O-CD 3.49Å
315A66.4Low80.9Confident37 Ų3763.6 Ų63.631%0.30635%0.349SS..  trans-62.2118.1170.600000109.8V312 R313 I317V312-A315 HydrophobicContact CB-CB 3.79Å; V312-A315 HydrophobicContact CG1-CB 3.65Å; V312-A315 PolarHBondContact O-N 2.93Å; R313-A315 VanDerWaalsContact C-N 3.31Å; R313-A315 PolarHBondContact O-N 3.23Å; A315-I317 PolarHBondContact O-N 3.09Å
316P69.9Low81.2Confident125 Ų12563.6 Ų63.681%0.81235%0.348SS*.  trans-69.4102.9169.428.8-30.9000107.4G314G314-P316 VanDerWaalsContact O-CD 3.22Å; G314-P316 WeakPolarHBondContact O-CD 3.49Å
317I77.6Confident81.6Confident29 Ų2965.3 Ų65.315%0.14936%0.355CS..  trans-76.2126.4170.5-62.9175.4000106.3L308 R309 A315 E319 H321 L322L308-I317 HydrophobicContact CB-CD1 4.31Å; R309-I317 HydrophobicContact CG-CD1 3.39Å; A315-I317 PolarHBondContact O-N 3.09Å; I317-E319 PolarHBondContact O-N 3.47Å; I317-H321 HydrophobicContact CG2-CB 4.47Å; I317-L322 HydrophobicContact CG2-CB 4.27Å
318P85.3Confident82.2Confident85 Ų8566.4 Ų66.455%0.55236%0.362SS*.  trans-54.9127.2175.8-24.533.4000110.6L320 H321 L322P318-L320 PolarHBondContact O-N 2.99Å; P318-L320 VanDerWaalsContact O-N 3.11Å; P318-H321 HydrophobicContact CB-CB 4.27Å; P318-H321 WeakPolarHBondContact O-CB 3.45Å; P318-H321 PolarHBondContact O-N 3.38Å; P318-L322 PolarHBondContact O-N 2.95Å
319E82.8Confident82.7Confident117 Ų11762.7 Ų62.755%0.54734%0.343SS..Hα-helixtrans-47.5-40.7176.9-74.2-70.4148.100112.1I317 H321 L322 T323I317-E319 PolarHBondContact O-N 3.47Å; E319-H321 PolarHBondContact O-N 3.29Å; E319-L322 PolarHBondContact O-N 2.81Å; E319-T323 VanDerWaalsContact O-CB 3.31Å; E319-T323 WeakPolarHBondContact O-CB 3.43Å; E319-T323 PolarHBondContact O-N 3Å; E319-T323 PolarHBondContact O-OG1 3.02Å
320L85.6Confident83.4Confident142 Ų14260.6 Ų60.674%0.74334%0.336SS*.Hα-helixtrans-62.2-40.9177.3-177.163.6000112.7P318 A324P318-L320 PolarHBondContact O-N 2.99Å; P318-L320 VanDerWaalsContact O-N 3.11Å; L320-A324 VanDerWaalsContact O-CB 3.22Å; L320-A324 WeakPolarHBondContact O-CB 3.29Å; L320-A324 PolarHBondContact O-N 3.44Å
321H88.3Confident84.1Confident77 Ų7762.3 Ų62.336%0.35635%0.349SS..Hα-helixtrans-68.3-44.1179.3178-82.2000110.9I317 P318 E319 A324 A325I317-H321 HydrophobicContact CG2-CB 4.47Å; P318-H321 HydrophobicContact CB-CB 4.27Å; P318-H321 WeakPolarHBondContact O-CB 3.45Å; P318-H321 PolarHBondContact O-N 3.38Å; E319-H321 PolarHBondContact O-N 3.29Å; H321-A324 PolarHBondContact O-N 3.45Å; H321-A325 VanDerWaalsContact O-CB 3.22Å; H321-A325 WeakPolarHBondContact O-CB 3.47Å; H321-A325 PolarHBondContact O-N 3.49Å
322L87.6Confident84.9Confident4 Ų457.1 Ų57.12%0.02133%0.327CS..Hα-helixtrans-65.3-47.3179.2-176.771.1000111.5E170 E171 A305 I317 P318 E319 A324 A325 V326E170-L322 HydrophobicContact CB-CD2 3.53Å; E170-L322 WeakPolarHBondContact O-CD2 3.43Å; E171-L322 HydrophobicContact CG-CD1 4.12Å; E171-L322 HydrophobicContact CG-CD2 4.1Å; E171-L322 HydrophobicContact CG-CG 4.27Å; A305-L322 HydrophobicContact CB-CD1 4.38Å; I317-L322 HydrophobicContact CG2-CB 4.27Å; P318-L322 PolarHBondContact O-N 2.95Å; E319-L322 PolarHBondContact O-N 2.81Å; L322-A324 PolarHBondContact O-N 3.29Å; L322-A325 WeakPolarHBondContact O-CB 3.32Å; L322-A325 PolarHBondContact O-N 3.49Å; L322-V326 WeakPolarHBondContact O-CG2 3.37Å; L322-V326 PolarHBondContact O-N 2.96Å
323T88.1Confident85.6Confident30 Ų3053.7 Ų53.718%0.18431%0.306CS..Hα-helixtrans-58-49.1175.4-58.10000110E319 A325 V326 W327E319-T323 VanDerWaalsContact O-CB 3.31Å; E319-T323 WeakPolarHBondContact O-CB 3.43Å; E319-T323 PolarHBondContact O-N 3Å; E319-T323 PolarHBondContact O-OG1 3.02Å; T323-A325 VanDerWaalsContact C-N 3.31Å; T323-A325 PolarHBondContact O-N 3.24Å; T323-V326 PolarHBondContact O-N 2.8Å; T323-W327 HydrophobicContact CG2-CD2 4.1Å; T323-W327 HydrophobicContact CG2-CE3 3.67Å; T323-W327 HydrophobicContact CG2-CH2 3.9Å; T323-W327 HydrophobicContact CG2-CZ2 4.36Å; T323-W327 HydrophobicContact CG2-CZ3 3.54Å; T323-W327 PolarHBondContact O-N 2.95Å
324A91.3Very high86.8Confident43 Ų4344.5 Ų44.536%0.35528%0.275SS..Hα-helixtrans-60.1-41.4177.100000112.4L320 H321 L322 W327 M328L320-A324 VanDerWaalsContact O-CB 3.22Å; L320-A324 WeakPolarHBondContact O-CB 3.29Å; L320-A324 PolarHBondContact O-N 3.44Å; H321-A324 PolarHBondContact O-N 3.45Å; L322-A324 PolarHBondContact O-N 3.29Å; A324-W327 PolarHBondContact O-N 3.33Å; A324-M328 HydrophobicContact CB-CE 4.3Å; A324-M328 WeakPolarHBondContact O-CB 3.23Å; A324-M328 WeakPolarHBondContact O-CE 3.08Å; A324-M328 WeakPolarHBondContact O-CG 3.47Å; A324-M328 PolarHBondContact O-N 2.84Å
325A93.1Very high88.1Confident0 Ų041.5 Ų41.50%024%0.244CC..Hα-helixtrans-63-43.9179.200000113.1P301 H321 L322 T323 M328 S329P301-A325 HydrophobicContact CB-CB 3.94Å; H321-A325 VanDerWaalsContact O-CB 3.22Å; H321-A325 WeakPolarHBondContact O-CB 3.47Å; H321-A325 PolarHBondContact O-N 3.49Å; L322-A325 WeakPolarHBondContact O-CB 3.32Å; L322-A325 PolarHBondContact O-N 3.49Å; T323-A325 VanDerWaalsContact C-N 3.31Å; T323-A325 PolarHBondContact O-N 3.24Å; A325-M328 PolarHBondContact O-N 3.25Å; A325-S329 PolarHBondContact O-N 3.02Å; A325-S329 VanDerWaalsContact O-N 3.16Å
326V91.5Very high89.3Confident1 Ų139.8 Ų39.81%0.00623%0.229CC..Hα-helixtrans-65.7-41.3175.6171.60000110.8E171 Y302 L322 T323 M328 S329 F330E171-V326 HydrophobicContact CB-CG2 4.23Å; E171-V326 HydrophobicContact CG-CG2 4.05Å; Y302-V326 HydrophobicContact CD2-CG2 4.01Å; Y302-V326 HydrophobicContact CE2-CG2 3.86Å; L322-V326 WeakPolarHBondContact O-CG2 3.37Å; L322-V326 PolarHBondContact O-N 2.96Å; T323-V326 PolarHBondContact O-N 2.8Å; V326-M328 VanDerWaalsContact C-N 3.35Å; V326-M328 PolarHBondContact O-N 3.46Å; V326-S329 PolarHBondContact O-N 3.18Å; V326-S329 PolarHBondContact O-OG 3.35Å; V326-F330 HydrophobicContact CG1-CD2 4.02Å; V326-F330 HydrophobicContact CG1-CE2 3.38Å; V326-F330 HydrophobicContact CG1-CZ 3.69Å; V326-F330 WeakPolarHBondContact O-CD2 3.28Å; V326-F330 WeakPolarHBondContact O-CG 3.34Å; V326-F330 PolarHBondContact O-N 3.03Å; V326-F330 VanDerWaalsContact O-N 3.09Å
327W93.5Very high90.4Very high37 Ų3734 Ų3414%0.1419%0.192CC..Hα-helixtrans-67.4-36.7179.2-90.8-115.9000112.2K25 S28 E172 T323 A324 F330 A331K25-W327 HydrophobicContact CB-CH2 4.36Å; K25-W327 HydrophobicContact CB-CZ2 3.68Å; K25-W327 HydrophobicContact CD-CH2 3.8Å; K25-W327 HydrophobicContact CD-CZ2 3.91Å; K25-W327 HydrophobicContact CG-CH2 3.9Å; K25-W327 HydrophobicContact CG-CZ2 3.47Å; K25-W327 VanDerWaalsContact CG-CZ2 3.47Å; S28-W327 PolarHBondContact OG-NE1 3.48Å; E172-W327 WeakPolarHBondContact OE2-CH2 3.16Å; T323-W327 HydrophobicContact CG2-CD2 4.1Å; T323-W327 HydrophobicContact CG2-CE3 3.67Å; T323-W327 HydrophobicContact CG2-CH2 3.9Å; T323-W327 HydrophobicContact CG2-CZ2 4.36Å; T323-W327 HydrophobicContact CG2-CZ3 3.54Å; T323-W327 PolarHBondContact O-N 2.95Å; A324-W327 PolarHBondContact O-N 3.33Å; W327-F330 PolarHBondContact O-N 3.36Å; W327-A331 WeakPolarHBondContact O-CB 3.37Å; W327-A331 PolarHBondContact O-N 2.96Å
328M94.5Very high91.1Very high63 Ų6337.7 Ų37.731%0.3121%0.211SC..Hα-helixtrans-63.7-40.5173.9-75.1-175.1-76.100111.9L298 P301 A324 A325 V326 F330 A331 Q332L298-M328 HydrophobicContact CD2-CB 4.08Å; L298-M328 HydrophobicContact CD2-CG 4.27Å; L298-M328 CarbonylContact O-C 3.06Å; L298-M328 WeakPolarHBondContact O-CB 3.17Å; P301-M328 HydrophobicContact CB-CE 3.45Å; P301-M328 VanDerWaalsContact CB-CE 3.45Å; P301-M328 HydrophobicContact CG-CE 3.39Å; P301-M328 HydrophobicContact CG-SD 3.97Å; A324-M328 HydrophobicContact CB-CE 4.3Å; A324-M328 WeakPolarHBondContact O-CB 3.23Å; A324-M328 WeakPolarHBondContact O-CE 3.08Å; A324-M328 WeakPolarHBondContact O-CG 3.47Å; A324-M328 PolarHBondContact O-N 2.84Å; A325-M328 PolarHBondContact O-N 3.25Å; V326-M328 VanDerWaalsContact C-N 3.35Å; V326-M328 PolarHBondContact O-N 3.46Å; M328-F330 VanDerWaalsContact C-N 3.33Å; M328-F330 PolarHBondContact O-N 2.68Å; M328-A331 PolarHBondContact O-N 3.04Å; M328-Q332 PolarHBondContact O-N 3.23Å
329S93.5Very high91.5Very high5 Ų534.6 Ų34.64%0.03519%0.189CC..Hα-helixtrans-65.9-35.1176.878.30000112.2A325 V326 Q332A325-S329 PolarHBondContact O-N 3.02Å; A325-S329 VanDerWaalsContact O-N 3.16Å; V326-S329 PolarHBondContact O-N 3.18Å; V326-S329 PolarHBondContact O-OG 3.35Å; S329-Q332 WeakPolarHBondContact O-CB 3.39Å
330F93.6Very high91.8Very high13 Ų1329 Ų296%0.05716%0.163CC..Hα-helixtrans-68.7-42.5171.7-63.4-32.1000112.8L29 I32 F76 V79 Q173 V326 W327 M328 Q332 A333L29-F330 HydrophobicContact CD1-CB 4.45Å; L29-F330 HydrophobicContact CD1-CD2 3.83Å; L29-F330 HydrophobicContact CD1-CE2 4.35Å; L29-F330 HydrophobicContact CD1-CG 4.29Å; I32-F330 HydrophobicContact CG2-CB 4.33Å; F76-F330 HydrophobicContact CD1-CD1 4.25Å; F76-F330 HydrophobicContact CE1-CB 4.25Å; F76-F330 AromaticContact CE1-CD1 3.54Å; F76-F330 HydrophobicContact CE1-CD1 3.54Å; F76-F330 HydrophobicContact CE1-CE1 4.14Å; F76-F330 HydrophobicContact CE1-CG 4.07Å; F76-F330 HydrophobicContact CZ-CB 4.04Å; F76-F330 HydrophobicContact CZ-CD1 4.16Å; F76-F330 HydrophobicContact CZ-CG 4.37Å; V79-F330 HydrophobicContact CG1-CE2 4.12Å; V79-F330 HydrophobicContact CG1-CZ 4.18Å; V79-F330 HydrophobicContact CG2-CZ 4.19Å; Q173-F330 VanDerWaalsContact OE1-CZ 3.32Å; V326-F330 HydrophobicContact CG1-CD2 4.02Å; V326-F330 HydrophobicContact CG1-CE2 3.38Å; V326-F330 HydrophobicContact CG1-CZ 3.69Å; V326-F330 WeakPolarHBondContact O-CD2 3.28Å; V326-F330 WeakPolarHBondContact O-CG 3.34Å; V326-F330 PolarHBondContact O-N 3.03Å; V326-F330 VanDerWaalsContact O-N 3.09Å; W327-F330 PolarHBondContact O-N 3.36Å; M328-F330 VanDerWaalsContact C-N 3.33Å; M328-F330 PolarHBondContact O-N 2.68Å; F330-Q332 PolarHBondContact O-N 2.9Å; F330-Q332 VanDerWaalsContact O-N 3.12Å; F330-A333 VanDerWaalsContact O-CB 3.26Å; F330-A333 WeakPolarHBondContact O-CB 3.25Å; F330-A333 PolarHBondContact O-N 3.17Å
331A94.3Very high92Very high35 Ų3524 Ų2429%0.28914%0.135SC..Hα-helixtrans-58.9-25.5179.100000113.2I32 W327 M328 A333 G334I32-A331 HydrophobicContact CD1-CB 4.48Å; W327-A331 WeakPolarHBondContact O-CB 3.37Å; W327-A331 PolarHBondContact O-N 2.96Å; M328-A331 PolarHBondContact O-N 3.04Å; A331-A333 PolarHBondContact O-N 3.16Å; A331-A333 VanDerWaalsContact O-N 3.11Å; A331-G334 PolarHBondContact O-N 3.37Å
332Q94.7Very high92Very high3 Ų325.8 Ų25.81%0.01415%0.146CC..Hα-helixtrans-52.7-32172.8177.560.727.500112.7A294 F295 L298 M328 S329 F330 G334 A335A294-Q332 PolarHBondContact O-OE1 3Å; F295-Q332 HydrophobicContact CD2-CG 4.14Å; L298-Q332 HydrophobicContact CB-CB 4.29Å; L298-Q332 HydrophobicContact CD1-CB 4.18Å; L298-Q332 VanDerWaalsContact CD1-OE1 3.24Å; M328-Q332 PolarHBondContact O-N 3.23Å; S329-Q332 WeakPolarHBondContact O-CB 3.39Å; F330-Q332 PolarHBondContact O-N 2.9Å; F330-Q332 VanDerWaalsContact O-N 3.12Å; Q332-G334 PolarHBondContact O-N 3.41Å; Q332-A335 WeakPolarHBondContact O-CB 3.29Å; Q332-A335 PolarHBondContact O-N 3.26Å; Q332-A335 VanDerWaalsContact O-N 3.12Å
333A93.3Very high91.8Very high0 Ų029 Ų290%016%0.159CC..Hα-helixtrans-56-39.1178.500000112.7S36 N40 F76 F330 A331S36-A333 WeakPolarHBondContact OG-CB 3.35Å; S36-A333 PolarHBondContact OG-O 3.25Å; N40-A333 PolarHBondContact ND2-O 3.34Å; F76-A333 HydrophobicContact CE2-CB 4.04Å; F76-A333 HydrophobicContact CZ-CB 3.92Å; F330-A333 VanDerWaalsContact O-CB 3.26Å; F330-A333 WeakPolarHBondContact O-CB 3.25Å; F330-A333 PolarHBondContact O-N 3.17Å; A331-A333 PolarHBondContact O-N 3.16Å; A331-A333 VanDerWaalsContact O-N 3.11Å
334G92.2Very high91.6Very high13 Ų1327.7 Ų27.713%0.13415%0.151CC..Hα-helixtrans-86-8.8-178.600000114.3A331 Q332 I338A331-G334 PolarHBondContact O-N 3.37Å; Q332-G334 PolarHBondContact O-N 3.41Å; G334-I338 VanDerWaalsContact O-CD1 3.26Å; G334-I338 WeakPolarHBondContact O-CD1 3.28Å; G334-I338 WeakPolarHBondContact O-CG1 3.4Å
335A92.9Very high91Very high13 Ų1331.9 Ų31.911%0.10716%0.162CC..Hα-helixtrans-72-34.6-173.100000112.8L298 Q332 I338 I339L298-A335 HydrophobicContact CD1-CB 4.3Å; Q332-A335 WeakPolarHBondContact O-CB 3.29Å; Q332-A335 PolarHBondContact O-N 3.26Å; Q332-A335 VanDerWaalsContact O-N 3.12Å; A335-I338 PolarHBondContact O-N 2.82Å; A335-I339 HydrophobicContact CB-CD1 4.26Å; A335-I339 VanDerWaalsContact O-CG1 3.29Å; A335-I339 WeakPolarHBondContact O-CG1 2.99Å; A335-I339 PolarHBondContact O-N 2.96Å
336N92.1Very high90.4Very high1 Ų134.9 Ų34.91%0.00518%0.176CC..Hα-helixtrans-61.5-49.6-170.9-64.2-25.6000113.5L64 D68 I291 S340L64-N336 HydrophobicContact CD2-CB 4.36Å; L64-N336 WeakPolarHBondContact CD2-ND2 3.48Å; L64-N336 WeakPolarHBondContact CG-ND2 3.41Å; D68-N336 PolarHBondContact OD2-ND2 3.43Å; I291-N336 VanDerWaalsContact CG2-OD1 3.31Å; I291-N336 WeakPolarHBondContact CG2-OD1 3.49Å; N336-S340 VanDerWaalsContact O-CB 3.27Å; N336-S340 WeakPolarHBondContact O-CB 3.4Å; N336-S340 PolarHBondContact O-N 2.88Å; N336-S340 PolarHBondContact O-OG 3.28Å
337P92.8Very high90Very high4 Ų434.9 Ų34.93%0.02618%0.175CC..Hα-helixtrans-66.3-40.4176.8-19.933.8000112.5G39 N40 L43 I339 S340 F341G39-P337 WeakPolarHBondContact O-CG 3.29Å; N40-P337 HydrophobicContact CB-CG 4.25Å; N40-P337 WeakPolarHBondContact OD1-CD 3.18Å; N40-P337 VanDerWaalsContact OD1-CG 3.23Å; N40-P337 WeakPolarHBondContact OD1-CG 3.37Å; L43-P337 HydrophobicContact CB-CB 4.48Å; L43-P337 HydrophobicContact CD2-CB 4.22Å; L43-P337 HydrophobicContact CD2-CG 4.46Å; P337-I339 PolarHBondContact O-N 3.45Å; P337-S340 PolarHBondContact O-N 3.15Å; P337-F341 HydrophobicContact CB-CD2 4.23Å; P337-F341 HydrophobicContact CB-CE2 3.98Å; P337-F341 WeakPolarHBondContact O-CB 3.31Å; P337-F341 WeakPolarHBondContact O-CD2 3.33Å; P337-F341 WeakPolarHBondContact O-CG 3.44Å; P337-F341 PolarHBondContact O-N 3.33Å
338I92.1Very high89.7Confident106 Ų10637.4 Ų37.454%0.54419%0.185SC..Hα-helixtrans-58-51.5179.9-63.4172.2000109.8G334 A335 S340 F341 M342G334-I338 VanDerWaalsContact O-CD1 3.26Å; G334-I338 WeakPolarHBondContact O-CD1 3.28Å; G334-I338 WeakPolarHBondContact O-CG1 3.4Å; A335-I338 PolarHBondContact O-N 2.82Å; I338-S340 PolarHBondContact O-N 2.82Å; I338-F341 PolarHBondContact O-N 2.82Å; I338-M342 HydrophobicContact CG2-SD 4.12Å; I338-M342 WeakPolarHBondContact O-CB 3.05Å; I338-M342 VanDerWaalsContact O-CG 3.26Å; I338-M342 WeakPolarHBondContact O-CG 3.16Å; I338-M342 PolarHBondContact O-N 2.87Å
339I93.3Very high89.1Confident20 Ų2039.2 Ų39.210%0.10320%0.195CC..Hα-helixtrans-64.8-42.7179.9-63.6166.7000110.4L290 I291 A294 A335 P337 F341 M342 F343L290-I339 HydrophobicContact CB-CG2 3.78Å; I291-I339 HydrophobicContact CG1-CB 4.04Å; I291-I339 HydrophobicContact CG1-CD1 4.25Å; I291-I339 HydrophobicContact CG1-CG2 3.7Å; A294-I339 HydrophobicContact CB-CD1 3.55Å; A335-I339 HydrophobicContact CB-CD1 4.26Å; A335-I339 VanDerWaalsContact O-CG1 3.29Å; A335-I339 WeakPolarHBondContact O-CG1 2.99Å; A335-I339 PolarHBondContact O-N 2.96Å; P337-I339 PolarHBondContact O-N 3.45Å; I339-F341 PolarHBondContact O-N 2.99Å; I339-M342 PolarHBondContact O-N 3.37Å; I339-F343 HydrophobicContact CG2-CD2 4.06Å; I339-F343 WeakPolarHBondContact O-CD2 3.28Å; I339-F343 PolarHBondContact O-N 2.96Å
340S90.7Very high88.7Confident0 Ų043.6 Ų43.60%021%0.211CC..Hα-helixtrans-60.7-46.4-179.9-62.10000112N336 P337 I338 N344N336-S340 VanDerWaalsContact O-CB 3.27Å; N336-S340 WeakPolarHBondContact O-CB 3.4Å; N336-S340 PolarHBondContact O-N 2.88Å; N336-S340 PolarHBondContact O-OG 3.28Å; P337-S340 PolarHBondContact O-N 3.15Å; I338-S340 PolarHBondContact O-N 2.82Å; S340-N344 WeakPolarHBondContact O-CB 3.13Å; S340-N344 PolarHBondContact O-N 2.94Å
341F89.3Confident88.2Confident35 Ų3544.7 Ų44.715%0.15422%0.217CC..Hα-helixtrans-71-35.3178.1-67.5-52.7000112.9L43 L46 P337 I338 I339 L347 R348 L351L43-F341 HydrophobicContact CB-CE2 4.42Å; L43-F341 HydrophobicContact CB-CZ 4.09Å; L43-F341 HydrophobicContact CD1-CE1 4.17Å; L43-F341 HydrophobicContact CD1-CZ 4.03Å; L46-F341 HydrophobicContact CD2-CE1 4.17Å; P337-F341 HydrophobicContact CB-CD2 4.23Å; P337-F341 HydrophobicContact CB-CE2 3.98Å; P337-F341 WeakPolarHBondContact O-CB 3.31Å; P337-F341 WeakPolarHBondContact O-CD2 3.33Å; P337-F341 WeakPolarHBondContact O-CG 3.44Å; P337-F341 PolarHBondContact O-N 3.33Å; I338-F341 PolarHBondContact O-N 2.82Å; I339-F341 PolarHBondContact O-N 2.99Å; F341-L347 HydrophobicContact CD1-CB 4.13Å; F341-L347 HydrophobicContact CE1-CB 4.29Å; F341-R348 HydrophobicContact CB-CG 4.31Å; F341-R348 WeakPolarHBondContact O-CD 3.32Å; F341-R348 WeakPolarHBondContact O-CG 3.29Å; F341-R348 PolarHBondContact O-NE 2.9Å; F341-L351 HydrophobicContact CD1-CD2 4.12Å; F341-L351 HydrophobicContact CE1-CB 4.33Å; F341-L351 HydrophobicContact CE1-CD1 4.25Å; F341-L351 HydrophobicContact CE1-CD2 3.7Å; F341-L351 HydrophobicContact CE1-CG 4.31Å; F341-L351 HydrophobicContact CE2-CD2 4.47Å; F341-L351 HydrophobicContact CZ-CD1 4.18Å; F341-L351 HydrophobicContact CZ-CD2 3.89Å
342M87.8Confident87.7Confident116 Ų11651.3 Ų51.357%0.57123%0.234SC*.Hα-helixtrans-63.3-47.6176.9-76.3-174.873.300112I338 I339 R348I338-M342 HydrophobicContact CG2-SD 4.12Å; I338-M342 WeakPolarHBondContact O-CB 3.05Å; I338-M342 VanDerWaalsContact O-CG 3.26Å; I338-M342 WeakPolarHBondContact O-CG 3.16Å; I338-M342 PolarHBondContact O-N 2.87Å; I339-M342 PolarHBondContact O-N 3.37Å; M342-R348 PolarHBondContact O-NH2 3.44Å
343F83.8Confident87.1Confident70 Ų7054 Ų5431%0.30726%0.257SS..Hα-helixtrans-97.1-14.8-168.9-70.2-83.4000114.6M287 L290 I339M287-F343 HydrophobicContact CB-CB 4.26Å; M287-F343 HydrophobicContact CG-CB 4.37Å; L290-F343 HydrophobicContact CD1-CD1 3.61Å; L290-F343 HydrophobicContact CD1-CD2 3.53Å; L290-F343 HydrophobicContact CD1-CE1 3.47Å; L290-F343 VanDerWaalsContact CD1-CE1 3.47Å; L290-F343 HydrophobicContact CD1-CE2 3.4Å; L290-F343 VanDerWaalsContact CD1-CE2 3.4Å; L290-F343 HydrophobicContact CD1-CG 3.64Å; L290-F343 HydrophobicContact CD1-CZ 3.36Å; I339-F343 HydrophobicContact CG2-CD2 4.06Å; I339-F343 WeakPolarHBondContact O-CD2 3.28Å; I339-F343 PolarHBondContact O-N 2.96Å
344N83.1Confident86.3Confident4 Ų455.7 Ų55.72%0.02127%0.268CS..  trans-10999.4175.5-158.8-20.8000111.8Y58 M287 S340 E346 L347 R348Y58-N344 PolarHBondContact OH-ND2 3.03Å; M287-N344 HydrophobicContact SD-CB 3.93Å; S340-N344 WeakPolarHBondContact O-CB 3.13Å; S340-N344 PolarHBondContact O-N 2.94Å; N344-E346 PolarHBondContact O-N 3.1Å; N344-E346 WeakPolarHBondContact OD1-CB 3.35Å; N344-E346 PolarHBondContact OD1-N 2.91Å; N344-E346 VanDerWaalsContact OD1-N 3.16Å; N344-L347 HydrophobicContact CB-CB 4.15Å; N344-L347 HydrophobicContact CB-CD1 3.77Å; N344-L347 HydrophobicContact CB-CG 3.86Å; N344-L347 PolarHBondContact O-N 3.12Å; N344-R348 PolarHBondContact O-N 3.38Å
345K79.8Confident85.4Confident131 Ų13160.4 Ų60.457%0.5729%0.285SS*.Hα-helixtrans-61.3-32.9175.8-70.7-174.1177.9-172.50112.6R348 I349K345-R348 PolarHBondContact O-N 2.79Å; K345-I349 WeakPolarHBondContact O-CG1 3Å; K345-I349 PolarHBondContact O-N 2.93Å
346E80.6Confident84.2Confident63 Ų6363.7 Ų63.729%0.29431%0.308SS..Hα-helixtrans-63.4-48.3179.6-171.761.9-159.100110.1L53 N344 R348 I349 R350L53-E346 HydrophobicContact CD2-CG 4.25Å; N344-E346 PolarHBondContact O-N 3.1Å; N344-E346 WeakPolarHBondContact OD1-CB 3.35Å; N344-E346 PolarHBondContact OD1-N 2.91Å; N344-E346 VanDerWaalsContact OD1-N 3.16Å; E346-R348 VanDerWaalsContact C-N 3.26Å; E346-R348 PolarHBondContact O-N 2.03Å; E346-I349 PolarHBondContact O-N 3.41Å; E346-I349 VanDerWaalsContact O-N 3.11Å; E346-R350 HydrophobicContact CG-CG 4.4Å; E346-R350 WeakPolarHBondContact O-CG 3.5Å; E346-R350 PolarHBondContact O-N 2.94Å; E346-R350 IonicContact OE1-CZ 3.34Å; E346-R350 IonicContact OE1-NE 2.76Å; E346-R350 PolarHBondContact OE1-NE 3.47Å; E346-R350 IonicContact OE1-NH2 3.01Å; E346-R350 PolarHBondContact OE1-NH2 2.9Å
347L83.3Confident82.5Confident0 Ų068.1 Ų68.10%034%0.337CS..Hα-helixtrans-56.7-40.4176.8-66.1-179.5000111.9L43 L46 L47 L53 Y58 L61 F341 N344 R350 L351L43-L347 HydrophobicContact CD1-CD1 4.12Å; L46-L347 HydrophobicContact CD2-CB 4.35Å; L46-L347 HydrophobicContact CD2-CD2 4.07Å; L47-L347 HydrophobicContact CD2-CD2 4.05Å; L53-L347 HydrophobicContact CD1-CD2 3.6Å; L53-L347 HydrophobicContact CD2-CD2 4.25Å; Y58-L347 HydrophobicContact CE1-CD2 4.19Å; L61-L347 HydrophobicContact CD2-CD1 4.42Å; F341-L347 HydrophobicContact CD1-CB 4.13Å; F341-L347 HydrophobicContact CE1-CB 4.29Å; N344-L347 HydrophobicContact CB-CB 4.15Å; N344-L347 HydrophobicContact CB-CD1 3.77Å; N344-L347 HydrophobicContact CB-CG 3.86Å; N344-L347 PolarHBondContact O-N 3.12Å; L347-R350 PolarHBondContact O-N 2.99Å; L347-L351 WeakPolarHBondContact O-CB 3.44Å; L347-L351 PolarHBondContact O-N 3.45Å
348R85.4Confident80.8Confident90 Ų9072.4 Ų72.434%0.3437%0.366SS..Hα-helixtrans-65.4-41.5177.2-74.7-172.1-80.3170.8-14.9113.3F341 M342 N344 K345 E346 R352F341-R348 HydrophobicContact CB-CG 4.31Å; F341-R348 WeakPolarHBondContact O-CD 3.32Å; F341-R348 WeakPolarHBondContact O-CG 3.29Å; F341-R348 PolarHBondContact O-NE 2.9Å; M342-R348 PolarHBondContact O-NH2 3.44Å; N344-R348 PolarHBondContact O-N 3.38Å; K345-R348 PolarHBondContact O-N 2.79Å; E346-R348 VanDerWaalsContact C-N 3.26Å; E346-R348 PolarHBondContact O-N 2.03Å; R348-R352 WeakPolarHBondContact O-CG 3.41Å; R348-R352 PolarHBondContact O-N 3.48Å; R348-R352 VanDerWaalsContact O-N 3.09Å
349I83.6Confident79.1Confident102 Ų10274.5 Ų74.552%0.52338%0.378SS..Hα-helixtrans-64.6-47178.8-68.6166.2000109.4K345 E346 R352 A353K345-I349 WeakPolarHBondContact O-CG1 3Å; K345-I349 PolarHBondContact O-N 2.93Å; E346-I349 PolarHBondContact O-N 3.41Å; E346-I349 VanDerWaalsContact O-N 3.11Å; I349-R352 PolarHBondContact O-N 3.21Å; I349-A353 PolarHBondContact O-N 3.48Å
350R83.9Confident76.9Confident97 Ų9775.4 Ų75.437%0.36639%0.393SS..Hα-helixtrans-66.8-38.6179.4-59.6-57178.9158.8-1112.9L46 D50 E346 L347 A353 C354L46-R350 HydrophobicContact CD1-CB 3.86Å; D50-R350 WeakPolarHBondContact OD2-CD 3.36Å; D50-R350 WeakPolarHBondContact OD2-CG 3.34Å; D50-R350 IonicContact OD2-NE 3.63Å; E346-R350 HydrophobicContact CG-CG 4.4Å; E346-R350 WeakPolarHBondContact O-CG 3.5Å; E346-R350 PolarHBondContact O-N 2.94Å; E346-R350 IonicContact OE1-CZ 3.34Å; E346-R350 IonicContact OE1-NE 2.76Å; E346-R350 PolarHBondContact OE1-NE 3.47Å; E346-R350 IonicContact OE1-NH2 3.01Å; E346-R350 PolarHBondContact OE1-NH2 2.9Å; L347-R350 PolarHBondContact O-N 2.99Å; R350-A353 PolarHBondContact O-N 2.99Å; R350-C354 PolarHBondContact O-N 3.31Å
351L83.9Confident74.5Confident35 Ų3581.9 Ų81.918%0.18343%0.432CS..Hα-helixtrans-59.2-48.2173.9-171.671.9000111.1L46 F341 L347 A353 C354 F355L46-L351 HydrophobicContact CD2-CB 4.11Å; L46-L351 HydrophobicContact CD2-CD1 4.23Å; F341-L351 HydrophobicContact CD1-CD2 4.12Å; F341-L351 HydrophobicContact CE1-CB 4.33Å; F341-L351 HydrophobicContact CE1-CD1 4.25Å; F341-L351 HydrophobicContact CE1-CD2 3.7Å; F341-L351 HydrophobicContact CE1-CG 4.31Å; F341-L351 HydrophobicContact CE2-CD2 4.47Å; F341-L351 HydrophobicContact CZ-CD1 4.18Å; F341-L351 HydrophobicContact CZ-CD2 3.89Å; L347-L351 WeakPolarHBondContact O-CB 3.44Å; L347-L351 PolarHBondContact O-N 3.45Å; L351-A353 PolarHBondContact O-N 3.37Å; L351-C354 PolarHBondContact O-N 2.9Å; L351-F355 HydrophobicContact CD1-CD2 4.08Å; L351-F355 HydrophobicContact CD1-CE2 3.6Å; L351-F355 HydrophobicContact CD2-CE2 4.19Å; L351-F355 HydrophobicContact CG-CD2 3.83Å; L351-F355 HydrophobicContact CG-CE2 3.68Å; L351-F355 VanDerWaalsContact O-CD2 3.28Å; L351-F355 WeakPolarHBondContact O-CD2 3.37Å; L351-F355 PolarHBondContact O-N 3.49Å
352R84.1Confident72.2Confident175 Ų17589.3 Ų89.366%0.6647%0.467SS*.Hα-helixtrans-60.9-43.8176.9-71.7177.6-166.9-164.40.4111.8R348 I349 C354 F355 S356R348-R352 WeakPolarHBondContact O-CG 3.41Å; R348-R352 PolarHBondContact O-N 3.48Å; R348-R352 VanDerWaalsContact O-N 3.09Å; I349-R352 PolarHBondContact O-N 3.21Å; R352-C354 VanDerWaalsContact C-N 3.3Å; R352-C354 PolarHBondContact O-N 3.02Å; R352-F355 PolarHBondContact O-N 3.47Å; R352-S356 WeakPolarHBondContact O-CB 3.29Å; R352-S356 PolarHBondContact O-N 2.86Å; R352-S356 PolarHBondContact O-OG 3.24Å; R352-S356 VanDerWaalsContact O-OG 3.13Å
353A81.9Confident69.7Low58 Ų5889.7 Ų89.748%0.47948%0.476SS..Hα-helixtrans-60.4-40.4176.400000112I349 R350 L351 C357I349-A353 PolarHBondContact O-N 3.48Å; R350-A353 PolarHBondContact O-N 2.99Å; L351-A353 PolarHBondContact O-N 3.37Å; A353-C357 WeakPolarHBondContact O-CB 3.48Å; A353-C357 PolarHBondContact O-N 3.39Å
354C75.6Confident67.5Low36 Ų3692.2 Ų92.224%0.24350%0.5CS..Hα-helixtrans-66-43.4176.3-166.70000112R350 L351 R352 C357 C358R350-C354 PolarHBondContact O-N 3.31Å; L351-C354 PolarHBondContact O-N 2.9Å; R352-C354 VanDerWaalsContact C-N 3.3Å; R352-C354 PolarHBondContact O-N 3.02Å; C354-C357 PolarHBondContact O-N 3.18Å; C354-C358 PolarHBondContact O-N 3.34Å; C354-C358 VanDerWaalsContact O-N 3.09Å; C354-C358 PolarHBondContact O-SG 3.45Å
355F74.1Confident65.5Low112 Ų112100.9 Ų100.949%0.49154%0.542SS..Hα-helixtrans-67-40.9176-82.3-71.4000112.5L351 R352 C357 C358 L359L351-F355 HydrophobicContact CD1-CD2 4.08Å; L351-F355 HydrophobicContact CD1-CE2 3.6Å; L351-F355 HydrophobicContact CD2-CE2 4.19Å; L351-F355 HydrophobicContact CG-CD2 3.83Å; L351-F355 HydrophobicContact CG-CE2 3.68Å; L351-F355 VanDerWaalsContact O-CD2 3.28Å; L351-F355 WeakPolarHBondContact O-CD2 3.37Å; L351-F355 PolarHBondContact O-N 3.49Å; R352-F355 PolarHBondContact O-N 3.47Å; F355-C357 VanDerWaalsContact C-N 3.28Å; F355-C357 PolarHBondContact O-N 3.09Å; F355-C358 PolarHBondContact O-N 3.48Å; F355-C358 VanDerWaalsContact O-N 3.09Å; F355-L359 HydrophobicContact CB-CD1 4.49Å; F355-L359 HydrophobicContact CD1-CD1 4.43Å; F355-L359 VanDerWaalsContact O-CD1 3.28Å; F355-L359 WeakPolarHBondContact O-CD1 3.2Å; F355-L359 PolarHBondContact O-N 3.5Å
356S66.4Low63.3Low83 Ų83103.3 Ų103.358%0.5856%0.556SS**Hα-helixtrans-63-33.7174.8-65.90000112.5R352 C358 G360R352-S356 WeakPolarHBondContact O-CB 3.29Å; R352-S356 PolarHBondContact O-N 2.86Å; R352-S356 PolarHBondContact O-OG 3.24Å; R352-S356 VanDerWaalsContact O-OG 3.13Å; S356-C358 VanDerWaalsContact C-N 3.35Å; S356-G360 WeakPolarHBondContact O-CA 3.36Å; S356-G360 PolarHBondContact O-N 3.43Å
357C57.9Low61.6Low93 Ų93105.7 Ų105.763%0.62858%0.577SS**Hα-helixtrans-73.5-25.2173.4-170.10000113.1A353 C354 F355A353-C357 WeakPolarHBondContact O-CB 3.48Å; A353-C357 PolarHBondContact O-N 3.39Å; C354-C357 PolarHBondContact O-N 3.18Å; F355-C357 VanDerWaalsContact C-N 3.28Å; F355-C357 PolarHBondContact O-N 3.09Å
358C57.3Low59.5Low94 Ų94116.7 Ų116.764%0.63562%0.62SS**Hα-helixtrans-85.6-23.4175.4-65.40000113.2C354 F355 S356C354-C358 PolarHBondContact O-N 3.34Å; C354-C358 VanDerWaalsContact O-N 3.09Å; C354-C358 PolarHBondContact O-SG 3.45Å; F355-C358 PolarHBondContact O-N 3.48Å; F355-C358 VanDerWaalsContact O-N 3.09Å; S356-C358 VanDerWaalsContact C-N 3.35Å
359L55.4Low57Low150 Ų150118 Ų11879%0.78564%0.641SS**Hα-helixtrans-102-16176.8-82.7108.6000114.2F355F355-L359 HydrophobicContact CB-CD1 4.49Å; F355-L359 HydrophobicContact CD1-CD1 4.43Å; F355-L359 VanDerWaalsContact O-CD1 3.28Å; F355-L359 WeakPolarHBondContact O-CD1 3.2Å; F355-L359 PolarHBondContact O-N 3.5Å
360G46.6Very low54.9Low40 Ų40120.9 Ų120.941%0.41266%0.656SS.*SBendtrans-100.9121.8179.700000111.7S356 Q362S356-G360 WeakPolarHBondContact O-CA 3.36Å; S356-G360 PolarHBondContact O-N 3.43Å; G360-Q362 PolarHBondContact O-N 2.88Å
361T41.3Very low52.9Low135 Ų135126.8 Ų126.883%0.82869%0.693SS**  trans-45.5129.7159.532.20000109.7T363T361-T363 PolarHBondContact O-N 3.05Å
362Q39.5Very low51.3Low192 Ų192131.4 Ų131.490%0.89772%0.718SS**  trans-49.5111.9175-73.2177.64.100109.9G360G360-Q362 PolarHBondContact O-N 2.88Å
363T36.5Very low49.6Very low124 Ų124129.1 Ų129.176%0.76172%0.721SS**PPolyproline II helixtrans-93.2128.514951.70000107.1T361 M365T361-T363 PolarHBondContact O-N 3.05Å; T363-M365 PolarHBondContact O-N 2.63Å
364P37.9Very low47.8Very low123 Ų123133 Ų13380%0.79974%0.735SS**PPolyproline II helixtrans-61.3138-17324.1-32000111.1E366P364-E366 PolarHBondContact O-N 2.86Å
365M39.6Very low46.2Very low185 Ų185138.7 Ų138.791%0.91176%0.764SS**PPolyproline II helixtrans-61.7118175.5-65.5-90.2-95.800109.5T363T363-M365 PolarHBondContact O-N 2.63Å
366E34.4Very low44.4Very low183 Ų183140.4 Ų140.486%0.85578%0.781SS**PPolyproline II helixtrans-64.1127162.4-103.4-177.9156.500109P364P364-E366 PolarHBondContact O-N 2.86Å
367P44Very low42.9Very low113 Ų113144.2 Ų144.273%0.73479%0.794SS**PPolyproline II helixtrans-70.5132.3173.228.4-30.5000109.4C369P367-C369 PolarHBondContact O-N 3.26Å
368Y40.8Very low41.9Very low230 Ų230147.9 Ų147.990%0.90281%0.806SS**  trans-53109.6168-85.1-100.6000110.1I370Y368-I370 PolarHBondContact O-N 3Å
369C32.6Very low40.7Very low117 Ų117152 Ų15279%0.79182%0.819SS**  trans-71.9115.7161-106.10000108.6P367P367-C369 PolarHBondContact O-N 3.26Å
370I39.3Very low39.5Very low163 Ų163152.2 Ų152.284%0.83682%0.822SS**  trans-82.2117.9158.3-61.8178.8000105.7Y368Y368-I370 PolarHBondContact O-N 3Å
371I41.2Very low38.8Very low221 Ų221162.4 Ų162.4100%1.13386%0.859SS**  trans-108.70161-61.2176.6000107.2

Retrieved 371 of 371 residues in 91.3 ms (Link to these results)