A0A087XQ00_POEFO Loading...

Solute carrier family 25 member 17

AlphaFold DB , UniProt , Accession A0A087XQ00, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 312 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
1M38.3Very low58.2Low244 Ų244126.8 Ų126.8100%1.20267%0.673SS**  057.50-103.9178.890.900109.8
2T38.1Very low59.9Low137 Ų137117.4 Ų117.484%0.8462%0.624SS**  trans-128.7128-17637.90000107.2
3A42.4Very low61.2Low82 Ų82113.1 Ų113.168%0.67860%0.598SS**  trans8660.6168.200000119.4
4E48.2Very low62.5Low178 Ų178109.4 Ų109.483%0.83259%0.591SS**SBendtrans-100.6-3.1142.5-84.5-170.5163.100112.6F6 S7E4-F6 PolarHBondContact O-N 2.85Å; E4-S7 PolarHBondContact O-N 3.11Å; E4-S7 VanDerWaalsContact O-N 3.08Å
5V50.6Low63.8Low121 Ų121107.3 Ų107.373%0.73358%0.583SS**THydrogen-bonded Turntrans-67.1-21179.9-176.90000112.3
6F53.3Low64.7Low182 Ų182100.7 Ų100.780%0.79855%0.547SS*.THydrogen-bonded Turntrans-102.435.5172.4-73.9-80.2000112E4 Y8E4-F6 PolarHBondContact O-N 2.85Å; F6-Y8 PolarHBondContact O-N 2.89Å
7S68.4Low65.7Low49 Ų4995.7 Ų95.734%0.34353%0.525SS..  trans-60.5138.1166.4176.70000109.5E4 E9 S10 L11E4-S7 PolarHBondContact O-N 3.11Å; E4-S7 VanDerWaalsContact O-N 3.08Å; S7-E9 PolarHBondContact O-N 3.28Å; S7-S10 WeakPolarHBondContact O-CA 3.48Å; S7-S10 WeakPolarHBondContact O-CB 3.34Å; S7-S10 PolarHBondContact O-N 3.29Å; S7-L11 PolarHBondContact O-N 3.48Å; S7-L11 VanDerWaalsContact O-N 3.13Å
8Y73.6Confident66.6Low133 Ų13393.4 Ų93.452%0.52252%0.521SS..Hα-helixtrans-54.1-35.8178.9177-94.5000112.2F6 S10 L11 V12 M302F6-Y8 PolarHBondContact O-N 2.89Å; Y8-S10 PolarHBondContact O-N 3Å; Y8-L11 WeakPolarHBondContact O-CB 3.46Å; Y8-L11 PolarHBondContact O-N 3.36Å; Y8-V12 HydrophobicContact CD1-CG2 4.16Å; Y8-V12 HydrophobicContact CE1-CG2 3.6Å; Y8-V12 HydrophobicContact CE2-CG2 4.39Å; Y8-V12 WeakPolarHBondContact O-CG2 3.29Å; Y8-V12 PolarHBondContact O-N 2.98Å; Y8-M302 HydrophobicContact CD1-SD 4.44Å; Y8-M302 HydrophobicContact CE1-CE 3.55Å; Y8-M302 HydrophobicContact CE1-SD 3.27Å; Y8-M302 WeakPolarHBondContact CE1-SD 3.21Å; Y8-M302 VanDerWaalsContact OH-CE 3.25Å; Y8-M302 WeakPolarHBondContact OH-CE 3.41Å; Y8-M302 PolarHBondContact OH-SD 3.44Å
9E73.6Confident67.6Low109 Ų10992.2 Ų92.251%0.50952%0.516SS..Hα-helixtrans-62.3-42.5174.3-63.4-169.9156.500112.1S7 L11 V12 H13S7-E9 PolarHBondContact O-N 3.28Å; E9-L11 VanDerWaalsContact C-N 3.29Å; E9-L11 PolarHBondContact O-N 3.02Å; E9-V12 PolarHBondContact O-N 3.34Å; E9-H13 PolarHBondContact O-CD2 2.86Å; E9-H13 PolarHBondContact O-N 3.43Å
10S76.4Confident68.4Low61 Ų6187.7 Ų87.743%0.42749%0.491SS..Hα-helixtrans-64.2-35.9177.5-65.50000111.5S7 Y8 A14S7-S10 WeakPolarHBondContact O-CA 3.48Å; S7-S10 WeakPolarHBondContact O-CB 3.34Å; S7-S10 PolarHBondContact O-N 3.29Å; Y8-S10 PolarHBondContact O-N 3Å; S10-A14 WeakPolarHBondContact O-CB 3.38Å; S10-A14 PolarHBondContact O-N 3.5Å
11L77.3Confident69.1Low99 Ų9985.8 Ų85.852%0.51848%0.483SS..Hα-helixtrans-66.4-45.7174.4-172.173.9000111.5S7 Y8 E9 H13 A14 V15S7-L11 PolarHBondContact O-N 3.48Å; S7-L11 VanDerWaalsContact O-N 3.13Å; Y8-L11 WeakPolarHBondContact O-CB 3.46Å; Y8-L11 PolarHBondContact O-N 3.36Å; E9-L11 VanDerWaalsContact C-N 3.29Å; E9-L11 PolarHBondContact O-N 3.02Å; L11-H13 PolarHBondContact O-N 2.92Å; L11-A14 PolarHBondContact O-N 3.41Å; L11-V15 HydrophobicContact CD1-CG2 4.42Å; L11-V15 HydrophobicContact CG-CG2 4.36Å; L11-V15 WeakPolarHBondContact O-CB 3.29Å; L11-V15 VanDerWaalsContact O-CG2 3.3Å; L11-V15 WeakPolarHBondContact O-CG2 3.32Å; L11-V15 PolarHBondContact O-N 3.38Å
12V78.2Confident71.3Confident14 Ų1477 Ų779%0.08544%0.444CS..Hα-helixtrans-60.5-45.9177.5168.70000111Y8 E9 S16 T298Y8-V12 HydrophobicContact CD1-CG2 4.16Å; Y8-V12 HydrophobicContact CE1-CG2 3.6Å; Y8-V12 HydrophobicContact CE2-CG2 4.39Å; Y8-V12 WeakPolarHBondContact O-CG2 3.29Å; Y8-V12 PolarHBondContact O-N 2.98Å; E9-V12 PolarHBondContact O-N 3.34Å; V12-S16 VanDerWaalsContact O-CB 3.23Å; V12-S16 WeakPolarHBondContact O-CB 3.37Å; V12-S16 PolarHBondContact O-N 2.96Å; V12-S16 PolarHBondContact O-OG 3.15Å; V12-T298 HydrophobicContact CB-CG2 4.36Å; V12-T298 HydrophobicContact CG1-CG2 3.55Å; V12-T298 HydrophobicContact CG2-CG2 3.81Å
13H76.9Confident73.7Confident61 Ų6173.2 Ų73.228%0.28242%0.42SS..Hα-helixtrans-64.3-40.3175.7-69.1-56.2000112.7E9 L11 S16 G17 Y291E9-H13 PolarHBondContact O-CD2 2.86Å; E9-H13 PolarHBondContact O-N 3.43Å; L11-H13 PolarHBondContact O-N 2.92Å; H13-S16 WeakPolarHBondContact CA-OG 3.14Å; H13-S16 PolarHBondContact O-OG 3.37Å; H13-G17 PolarHBondContact O-N 3.45Å; H13-Y291 PolarHBondContact CE1-OH 2.92Å; H13-Y291 VanDerWaalsContact CE1-OH 3.27Å; H13-Y291 AromaticContact ND1-CE2 3.8Å; H13-Y291 AromaticContact ND1-CZ 3.65Å; H13-Y291 PolarHBondContact ND1-OH 3.39Å
14A80.1Confident75.8Confident61 Ų6169.3 Ų69.350%0.50439%0.388SS..Hα-helixtrans-66-45.6177.200000112.4S10 L11 A18S10-A14 WeakPolarHBondContact O-CB 3.38Å; S10-A14 PolarHBondContact O-N 3.5Å; L11-A14 PolarHBondContact O-N 3.41Å; A14-A18 VanDerWaalsContact O-CB 3.29Å; A14-A18 WeakPolarHBondContact O-CB 3.29Å; A14-A18 PolarHBondContact O-N 3.23Å
15V81.8Confident77.6Confident79 Ų7962.7 Ų62.748%0.47936%0.358SS..Hα-helixtrans-68.4-46.2-179.9172.70000110.8L11 G17 A18 V19L11-V15 HydrophobicContact CD1-CG2 4.42Å; L11-V15 HydrophobicContact CG-CG2 4.36Å; L11-V15 WeakPolarHBondContact O-CB 3.29Å; L11-V15 VanDerWaalsContact O-CG2 3.3Å; L11-V15 WeakPolarHBondContact O-CG2 3.32Å; L11-V15 PolarHBondContact O-N 3.38Å; V15-G17 VanDerWaalsContact C-N 3.33Å; V15-G17 PolarHBondContact O-N 3.02Å; V15-A18 PolarHBondContact O-N 2.96Å; V15-V19 HydrophobicContact CG1-CG2 4.19Å; V15-V19 WeakPolarHBondContact O-CB 3.21Å; V15-V19 VanDerWaalsContact O-CG2 3.32Å; V15-V19 WeakPolarHBondContact O-CG2 3.47Å; V15-V19 PolarHBondContact O-N 3.41Å
16S78.4Confident79.4Confident1 Ų158.7 Ų58.71%0.00733%0.333CS..Hα-helixtrans-60.2-42.5176.356.40000112.1V12 H13 G20 I294V12-S16 VanDerWaalsContact O-CB 3.23Å; V12-S16 WeakPolarHBondContact O-CB 3.37Å; V12-S16 PolarHBondContact O-N 2.96Å; V12-S16 PolarHBondContact O-OG 3.15Å; H13-S16 WeakPolarHBondContact CA-OG 3.14Å; H13-S16 PolarHBondContact O-OG 3.37Å; S16-G20 PolarHBondContact O-N 3.42Å; S16-I294 VanDerWaalsContact CB-CG2 3.47Å
17G81.4Confident81.2Confident16 Ų1653.5 Ų53.517%0.16532%0.316CS..Hα-helixtrans-62.9-44.3174.200000112.8H13 V15 S21H13-G17 PolarHBondContact O-N 3.45Å; V15-G17 VanDerWaalsContact C-N 3.33Å; V15-G17 PolarHBondContact O-N 3.02Å; G17-S21 WeakPolarHBondContact O-CB 3.39Å; G17-S21 PolarHBondContact O-N 2.68Å
18A82.7Confident82.2Confident55 Ų5552.7 Ų52.746%0.45531%0.307SS..Hα-helixtrans-65.3-48.9178.700000112.2A14 V15 S21 V22A14-A18 VanDerWaalsContact O-CB 3.29Å; A14-A18 WeakPolarHBondContact O-CB 3.29Å; A14-A18 PolarHBondContact O-N 3.23Å; V15-A18 PolarHBondContact O-N 2.96Å; A18-S21 PolarHBondContact O-N 3.32Å; A18-V22 WeakPolarHBondContact O-CG2 3.49Å; A18-V22 PolarHBondContact O-N 3.38Å
19V84.2Confident82.9Confident70 Ų7046.4 Ų46.442%0.42428%0.282SS..Hα-helixtrans-63.9-43.8178.3173.60000110.9V15 S21 V22 T23 I294V15-V19 HydrophobicContact CG1-CG2 4.19Å; V15-V19 WeakPolarHBondContact O-CB 3.21Å; V15-V19 VanDerWaalsContact O-CG2 3.32Å; V15-V19 WeakPolarHBondContact O-CG2 3.47Å; V15-V19 PolarHBondContact O-N 3.41Å; V19-S21 VanDerWaalsContact C-N 3.34Å; V19-S21 PolarHBondContact O-N 3.12Å; V19-V22 PolarHBondContact O-N 2.86Å; V19-T23 VanDerWaalsContact O-CB 3.28Å; V19-T23 WeakPolarHBondContact O-CB 3.12Å; V19-T23 PolarHBondContact O-N 3.11Å; V19-T23 PolarHBondContact O-OG1 3.38Å; V19-I294 HydrophobicContact CB-CD1 4.49Å; V19-I294 HydrophobicContact CG1-CD1 4.2Å
20G84.3Confident83.7Confident1 Ų142.2 Ų42.21%0.0126%0.264CS..Hα-helixtrans-60-44175.200000112S16 A24S16-G20 PolarHBondContact O-N 3.42Å; G20-A24 VanDerWaalsContact O-CB 3.27Å; G20-A24 WeakPolarHBondContact O-CB 3.49Å; G20-A24 PolarHBondContact O-N 3.33Å
21S82.9Confident84.3Confident48 Ų4840.3 Ų40.334%0.33625%0.249SC..Hα-helixtrans-65.8-46.4178.3-173.30000112.6G17 A18 V19 T23 A24 M25G17-S21 WeakPolarHBondContact O-CB 3.39Å; G17-S21 PolarHBondContact O-N 2.68Å; A18-S21 PolarHBondContact O-N 3.32Å; V19-S21 VanDerWaalsContact C-N 3.34Å; V19-S21 PolarHBondContact O-N 3.12Å; S21-T23 PolarHBondContact O-N 2.89Å; S21-A24 PolarHBondContact O-N 3.15Å; S21-M25 WeakPolarHBondContact O-CB 3.36Å; S21-M25 PolarHBondContact O-N 3.18Å
22V85.6Confident84.8Confident61 Ų6136.1 Ų36.137%0.3723%0.227SC..Hα-helixtrans-64-42.3178.1170.50000111.1A18 V19 T26 I73A18-V22 WeakPolarHBondContact O-CG2 3.49Å; A18-V22 PolarHBondContact O-N 3.38Å; V19-V22 PolarHBondContact O-N 2.86Å; V22-T26 WeakPolarHBondContact O-CB 3.37Å; V22-T26 PolarHBondContact O-N 3.35Å; V22-T26 PolarHBondContact O-OG1 3.27Å; V22-I73 HydrophobicContact CG1-CD1 4.1Å
23T87.9Confident85.2Confident57 Ų5735.7 Ų35.735%0.3523%0.225SC..Hα-helixtrans-63.5-49.7177.6-55.50000110.5V19 S21 M25 T26 V27 L290V19-T23 VanDerWaalsContact O-CB 3.28Å; V19-T23 WeakPolarHBondContact O-CB 3.12Å; V19-T23 PolarHBondContact O-N 3.11Å; V19-T23 PolarHBondContact O-OG1 3.38Å; S21-T23 PolarHBondContact O-N 2.89Å; T23-M25 PolarHBondContact O-N 2.83Å; T23-T26 WeakPolarHBondContact O-CB 3.3Å; T23-T26 PolarHBondContact O-N 3.32Å; T23-T26 VanDerWaalsContact O-N 3.14Å; T23-V27 WeakPolarHBondContact O-CG2 3.5Å; T23-V27 PolarHBondContact O-N 2.84Å; T23-L290 HydrophobicContact CG2-CD1 3.72Å
24A87Confident85.7Confident0 Ų032.8 Ų32.80%021%0.211CC..Hα-helixtrans-64.2-41.2179.700000112.4G20 S21 T26 V27 F28 T283 L286G20-A24 VanDerWaalsContact O-CB 3.27Å; G20-A24 WeakPolarHBondContact O-CB 3.49Å; G20-A24 PolarHBondContact O-N 3.33Å; S21-A24 PolarHBondContact O-N 3.15Å; A24-T26 VanDerWaalsContact C-N 3.27Å; A24-T26 PolarHBondContact O-N 3.46Å; A24-V27 PolarHBondContact O-N 3.49Å; A24-F28 VanDerWaalsContact O-CD2 3.23Å; A24-F28 WeakPolarHBondContact O-CD2 3.46Å; A24-F28 PolarHBondContact O-N 2.91Å; A24-T283 HydrophobicContact CB-CG2 3.84Å; A24-L286 HydrophobicContact CB-CB 4.19Å; A24-L286 HydrophobicContact CB-CD2 4.02Å; A24-L286 HydrophobicContact CB-CG 4.16Å
25M85Confident86.2Confident39 Ų3930.9 Ų30.919%0.19219%0.191CC..Hα-helixtrans-61.2-37174-175.563.3162.700111.9S21 T23 F29 V72S21-M25 WeakPolarHBondContact O-CB 3.36Å; S21-M25 PolarHBondContact O-N 3.18Å; T23-M25 PolarHBondContact O-N 2.83Å; M25-F29 VanDerWaalsContact O-CA 3.31Å; M25-F29 WeakPolarHBondContact O-CA 3.29Å; M25-F29 VanDerWaalsContact O-CB 3.27Å; M25-F29 WeakPolarHBondContact O-CB 3.42Å; M25-F29 PolarHBondContact O-N 3.28Å; M25-V72 HydrophobicContact CE-CG1 4.31Å
26T88.3Confident86.5Confident37 Ų3727.7 Ų27.723%0.22717%0.171CC..Hα-helixtrans-70.7-46.9177.9-58.20000111.3V22 T23 A24 F28 F29 Y66 W69V22-T26 WeakPolarHBondContact O-CB 3.37Å; V22-T26 PolarHBondContact O-N 3.35Å; V22-T26 PolarHBondContact O-OG1 3.27Å; T23-T26 WeakPolarHBondContact O-CB 3.3Å; T23-T26 PolarHBondContact O-N 3.32Å; T23-T26 VanDerWaalsContact O-N 3.14Å; A24-T26 VanDerWaalsContact C-N 3.27Å; A24-T26 PolarHBondContact O-N 3.46Å; T26-F28 VanDerWaalsContact C-N 3.32Å; T26-F28 PolarHBondContact O-N 2.88Å; T26-F29 WeakPolarHBondContact O-CB 3.37Å; T26-F29 PolarHBondContact O-N 2.97Å; T26-Y66 HydrophobicContact CG2-CE1 4.48Å; T26-Y66 VanDerWaalsContact O-CE1 3.28Å; T26-Y66 WeakPolarHBondContact O-CE1 3.48Å; T26-W69 HydrophobicContact CG2-CZ2 4.09Å; T26-W69 PolarHBondContact OG1-NE1 3.44Å
27V90.5Very high86.9Confident72 Ų7227.8 Ų27.844%0.43617%0.172SC..Hα-helixtrans-60.7-42.5178.4172.60000111.2T23 A24 L286T23-V27 WeakPolarHBondContact O-CG2 3.5Å; T23-V27 PolarHBondContact O-N 2.84Å; A24-V27 PolarHBondContact O-N 3.49Å; V27-L286 HydrophobicContact CB-CD2 4.06Å; V27-L286 HydrophobicContact CG1-CD2 4.18Å; V27-L286 HydrophobicContact CG2-CD2 4.11Å
28F90.1Very high87.1Confident33 Ų3327.1 Ų27.115%0.14516%0.164CC..THydrogen-bonded Turntrans-98.712.7-177.7-58-59.9000114A24 T26 P30 L31 D32 Q279 L282 L286A24-F28 VanDerWaalsContact O-CD2 3.23Å; A24-F28 WeakPolarHBondContact O-CD2 3.46Å; A24-F28 PolarHBondContact O-N 2.91Å; T26-F28 VanDerWaalsContact C-N 3.32Å; T26-F28 PolarHBondContact O-N 2.88Å; F28-P30 VanDerWaalsContact C-CD 3.43Å; F28-P30 VanDerWaalsContact C-N 3.33Å; F28-L31 HydrophobicContact CB-CD1 4.24Å; F28-L31 HydrophobicContact CD1-CD1 3.89Å; F28-L31 HydrophobicContact CG-CD1 4.42Å; F28-L31 WeakPolarHBondContact O-CB 3.29Å; F28-L31 PolarHBondContact O-N 3.33Å; F28-L31 VanDerWaalsContact O-N 3.1Å; F28-D32 PolarHBondContact O-N 3.08Å; F28-Q279 HydrophobicContact CB-CG 4.39Å; F28-L282 HydrophobicContact CD1-CB 3.99Å; F28-L282 HydrophobicContact CD1-CD1 4.07Å; F28-L282 HydrophobicContact CD2-CB 4.1Å; F28-L282 HydrophobicContact CE1-CB 3.62Å; F28-L282 HydrophobicContact CE1-CD1 3.74Å; F28-L282 HydrophobicContact CE1-CG 4.19Å; F28-L282 VanDerWaalsContact CE2-C 3.45Å; F28-L282 HydrophobicContact CE2-CB 3.72Å; F28-L282 VanDerWaalsContact CE2-O 3.29Å; F28-L282 WeakPolarHBondContact CE2-O 3.43Å; F28-L282 HydrophobicContact CG-CB 4.24Å; F28-L282 HydrophobicContact CZ-CB 3.5Å; F28-L282 VanDerWaalsContact CZ-CB 3.5Å; F28-L282 HydrophobicContact CZ-CD1 4.4Å; F28-L282 HydrophobicContact CZ-CG 4.37Å; F28-L286 HydrophobicContact CD2-CD2 4.41Å; F28-L286 HydrophobicContact CE2-CB 3.85Å; F28-L286 HydrophobicContact CE2-CD2 3.58Å; F28-L286 HydrophobicContact CE2-CG 4.37Å; F28-L286 HydrophobicContact CZ-CD2 4.13Å
29F88.6Confident87.2Confident1 Ų124.5 Ų24.50%0.00414%0.142CC..Hα-helixtrans-56.8-40.1175.6-162.8-94.8000112.9M25 T26 L31 D32 T33 P65 Y66 W69 V72M25-F29 VanDerWaalsContact O-CA 3.31Å; M25-F29 WeakPolarHBondContact O-CA 3.29Å; M25-F29 VanDerWaalsContact O-CB 3.27Å; M25-F29 WeakPolarHBondContact O-CB 3.42Å; M25-F29 PolarHBondContact O-N 3.28Å; T26-F29 WeakPolarHBondContact O-CB 3.37Å; T26-F29 PolarHBondContact O-N 2.97Å; F29-L31 PolarHBondContact O-N 3.44Å; F29-D32 WeakPolarHBondContact O-CA 3.39Å; F29-D32 WeakPolarHBondContact O-CB 3.12Å; F29-D32 PolarHBondContact O-N 3.1Å; F29-T33 PolarHBondContact O-N 3.13Å; F29-T33 PolarHBondContact O-OG1 2.65Å; F29-P65 VanDerWaalsContact CD1-O 3.28Å; F29-P65 WeakPolarHBondContact CD1-O 3.49Å; F29-Y66 HydrophobicContact CB-CD1 4.26Å; F29-Y66 HydrophobicContact CB-CE1 4.14Å; F29-Y66 HydrophobicContact CD1-CD1 4.3Å; F29-W69 HydrophobicContact CD1-CB 4.27Å; F29-W69 HydrophobicContact CD2-CB 4.48Å; F29-W69 AromaticContact CD2-CD1 3.77Å; F29-W69 HydrophobicContact CE1-CB 4Å; F29-W69 HydrophobicContact CE2-CB 4.21Å; F29-W69 HydrophobicContact CG-CB 4.49Å; F29-W69 AromaticContact CG-CD1 3.96Å; F29-W69 VanDerWaalsContact CZ-CA 3.48Å; F29-W69 HydrophobicContact CZ-CB 3.97Å; F29-V72 HydrophobicContact CE2-CB 4.28Å; F29-V72 HydrophobicContact CE2-CG1 4.13Å; F29-V72 HydrophobicContact CZ-CG2 4.49Å
30P89.7Confident87.2Confident21 Ų2121.5 Ų21.514%0.13612%0.124CC..Hα-helixtrans-56-35.4175.5-28.537.8000113.7F28 T33 A34 L53 P65 Y66F28-P30 VanDerWaalsContact C-CD 3.43Å; F28-P30 VanDerWaalsContact C-N 3.33Å; P30-T33 PolarHBondContact O-N 3.16Å; P30-A34 WeakPolarHBondContact O-CB 3.41Å; P30-A34 PolarHBondContact O-N 2.95Å; P30-L53 HydrophobicContact CB-CD2 3.8Å; P30-L53 WeakPolarHBondContact O-CD2 3.4Å; P30-P65 HydrophobicContact CB-CB 3.88Å; P30-P65 HydrophobicContact CG-CB 4.13Å; P30-Y66 HydrophobicContact CG-CD2 4.43Å; P30-Y66 HydrophobicContact CG-CE1 4.32Å; P30-Y66 HydrophobicContact CG-CE2 3.71Å
31L89.6Confident87.1Confident20 Ų2021.6 Ų21.611%0.10512%0.124CC..Hα-helixtrans-68.7-35.3177.4-61.7176.1000111.8F28 F29 R35 T49 L53 L278 Q279 L282F28-L31 HydrophobicContact CB-CD1 4.24Å; F28-L31 HydrophobicContact CD1-CD1 3.89Å; F28-L31 HydrophobicContact CG-CD1 4.42Å; F28-L31 WeakPolarHBondContact O-CB 3.29Å; F28-L31 PolarHBondContact O-N 3.33Å; F28-L31 VanDerWaalsContact O-N 3.1Å; F29-L31 PolarHBondContact O-N 3.44Å; L31-R35 VanDerWaalsContact O-CB 3.28Å; L31-R35 WeakPolarHBondContact O-CB 3.32Å; L31-R35 PolarHBondContact O-N 3.42Å; L31-T49 HydrophobicContact CD2-CG2 3.52Å; L31-L53 HydrophobicContact CD2-CD1 4.31Å; L31-L278 HydrophobicContact CD1-CB 4.23Å; L31-Q279 HydrophobicContact CB-CB 3.9Å; L31-Q279 HydrophobicContact CB-CG 4.31Å; L31-Q279 HydrophobicContact CD1-CB 4.16Å; L31-L282 HydrophobicContact CD1-CD1 4.06Å
32D87.6Confident86.6Confident11 Ų1120.9 Ų20.96%0.05912%0.116CC..Hα-helixtrans-64.5-43.4173.3-159.865.8000111.2F28 F29 R35 L36 K131 Q279F28-D32 PolarHBondContact O-N 3.08Å; F29-D32 WeakPolarHBondContact O-CA 3.39Å; F29-D32 WeakPolarHBondContact O-CB 3.12Å; F29-D32 PolarHBondContact O-N 3.1Å; D32-R35 PolarHBondContact O-N 3.37Å; D32-L36 WeakPolarHBondContact O-CB 3.42Å; D32-L36 WeakPolarHBondContact O-CG 3.31Å; D32-L36 PolarHBondContact O-N 3.38Å; D32-K131 IonicContact OD2-NZ 3.54Å; D32-K131 PolarHBondContact OD2-NZ 2.94Å; D32-Q279 PolarHBondContact OD1-NE2 3.41Å
33T87Confident85.9Confident6 Ų621.8 Ų21.84%0.03712%0.119CC..Hα-helixtrans-63.1-47.3176.5-58.90000111.4F29 P30 R35 L36 R37 P65F29-T33 PolarHBondContact O-N 3.13Å; F29-T33 PolarHBondContact O-OG1 2.65Å; P30-T33 PolarHBondContact O-N 3.16Å; T33-R35 PolarHBondContact O-N 3.37Å; T33-L36 PolarHBondContact O-N 3.36Å; T33-R37 HydrophobicContact CG2-CG 4.5Å; T33-R37 WeakPolarHBondContact O-CB 3.29Å; T33-R37 WeakPolarHBondContact O-CG 3.15Å; T33-R37 PolarHBondContact O-N 3.3Å; T33-P65 WeakPolarHBondContact CB-O 3.46Å; T33-P65 PolarHBondContact OG1-O 3.15Å
34A88Confident85.2Confident0 Ų019.4 Ų19.40%010%0.103CC..Hα-helixtrans-59.7-45.8177.400000111.5P30 L38 T49 I52 L53P30-A34 WeakPolarHBondContact O-CB 3.41Å; P30-A34 PolarHBondContact O-N 2.95Å; A34-L38 WeakPolarHBondContact O-CB 3.49Å; A34-L38 WeakPolarHBondContact O-CG 3.35Å; A34-L38 PolarHBondContact O-N 3.27Å; A34-T49 HydrophobicContact CB-CG2 4.43Å; A34-I52 HydrophobicContact CB-CG2 4.14Å; A34-L53 HydrophobicContact CB-CD2 4Å; A34-L53 HydrophobicContact CB-CG 4.17Å
35R89.8Confident84.2Confident21 Ų2129 Ų298%0.07915%0.145CC..Hα-helixtrans-58.5-53.3175.2178.4-157.3174.9-1693.1111.6L31 D32 T33 R37 L38 Q39 A275 K276L31-R35 VanDerWaalsContact O-CB 3.28Å; L31-R35 WeakPolarHBondContact O-CB 3.32Å; L31-R35 PolarHBondContact O-N 3.42Å; D32-R35 PolarHBondContact O-N 3.37Å; T33-R35 PolarHBondContact O-N 3.37Å; R35-R37 VanDerWaalsContact C-N 3.32Å; R35-R37 PolarHBondContact O-N 3.25Å; R35-L38 WeakPolarHBondContact O-CB 3.44Å; R35-L38 PolarHBondContact O-N 3.18Å; R35-Q39 HydrophobicContact CG-CG 4.44Å; R35-Q39 VanDerWaalsContact NE-NE2 3.13Å; R35-Q39 WeakPolarHBondContact O-CG 3.29Å; R35-Q39 PolarHBondContact O-N 3.23Å; R35-A275 HydrophobicContact CB-CB 3.92Å; R35-K276 HydrophobicContact CG-CB 4.25Å; R35-K276 VanDerWaalsContact NH1-CD 3.33Å; R35-K276 VanDerWaalsContact NH1-CE 3.25Å
36L87.6Confident83.5Confident11 Ų1127.8 Ų27.86%0.05814%0.141CC..Hα-helixtrans-62.4-40.9-175.8-80.9171.2000111.6D32 T33 Q39 V40 K131 L132D32-L36 WeakPolarHBondContact O-CB 3.42Å; D32-L36 WeakPolarHBondContact O-CG 3.31Å; D32-L36 PolarHBondContact O-N 3.38Å; T33-L36 PolarHBondContact O-N 3.36Å; L36-Q39 PolarHBondContact O-N 3.22Å; L36-V40 WeakPolarHBondContact O-CG2 3.46Å; L36-V40 PolarHBondContact O-N 3.11Å; L36-K131 HydrophobicContact CD1-CB 4.46Å; L36-K131 HydrophobicContact CD1-CD 3.43Å; L36-K131 VanDerWaalsContact CD1-CD 3.43Å; L36-L132 HydrophobicContact CB-CD2 4.29Å
37R86.4Confident82.6Confident4 Ų432.9 Ų32.92%0.01516%0.16CC..Hα-helixtrans-63.5-41.9175.2-71.6-178.8-176-146.25112T33 R35 Q39 V40 D41 E60 L132 S135T33-R37 HydrophobicContact CG2-CG 4.5Å; T33-R37 WeakPolarHBondContact O-CB 3.29Å; T33-R37 WeakPolarHBondContact O-CG 3.15Å; T33-R37 PolarHBondContact O-N 3.3Å; R35-R37 VanDerWaalsContact C-N 3.32Å; R35-R37 PolarHBondContact O-N 3.25Å; R37-Q39 VanDerWaalsContact C-N 3.31Å; R37-Q39 PolarHBondContact O-N 3.06Å; R37-V40 PolarHBondContact O-N 3.39Å; R37-D41 WeakPolarHBondContact O-CA 3.48Å; R37-D41 WeakPolarHBondContact O-CB 3.22Å; R37-D41 PolarHBondContact O-N 3.24Å; R37-E60 IonicContact CZ-OE1 3.24Å; R37-E60 IonicContact CZ-OE2 3.94Å; R37-E60 IonicContact NH1-OE1 2.62Å; R37-E60 PolarHBondContact NH1-OE1 2.93Å; R37-E60 IonicContact NH1-OE2 3.04Å; R37-E60 PolarHBondContact NH1-OE2 2.88Å; R37-E60 VanDerWaalsContact NH1-OE2 3.15Å; R37-E60 IonicContact NH2-OE1 2.65Å; R37-E60 IonicContact NH2-OE2 2.64Å; R37-E60 PolarHBondContact NH2-OE2 3.48Å; R37-L132 HydrophobicContact CG-CD2 4.11Å; R37-S135 VanDerWaalsContact CZ-OG 3.29Å; R37-S135 PolarHBondContact NE-OG 3.34Å; R37-S135 PolarHBondContact NH2-OG 2.99Å; R37-S135 VanDerWaalsContact NH2-OG 3.14Å
38L86.2Confident82Confident1 Ų132.5 Ų32.51%0.00516%0.161CC..Hα-helixtrans-64.4-34.1174.5-82.6175.5000114.2A34 R35 A46 I52 K271A34-L38 WeakPolarHBondContact O-CB 3.49Å; A34-L38 WeakPolarHBondContact O-CG 3.35Å; A34-L38 PolarHBondContact O-N 3.27Å; R35-L38 WeakPolarHBondContact O-CB 3.44Å; R35-L38 PolarHBondContact O-N 3.18Å; L38-A46 VanDerWaalsContact CD2-O 3.29Å; L38-A46 WeakPolarHBondContact CD2-O 3.32Å; L38-I52 HydrophobicContact CD1-CD1 3.22Å; L38-I52 HydrophobicContact CD2-CD1 3.28Å; L38-I52 HydrophobicContact CD2-CG1 4.16Å; L38-I52 HydrophobicContact CG-CD1 3.29Å; L38-I52 HydrophobicContact CG-CG1 4.38Å; L38-K271 HydrophobicContact CB-CB 4.33Å
39Q85.5Confident81.6Confident0 Ų031.1 Ų31.10%016%0.155CC..Hα-helixtrans-73.5-34.6-179.8-73.9-177.7-17.100111.7R35 L36 R37 Y223 T227 S230 V231 R260R35-Q39 HydrophobicContact CG-CG 4.44Å; R35-Q39 VanDerWaalsContact NE-NE2 3.13Å; R35-Q39 WeakPolarHBondContact O-CG 3.29Å; R35-Q39 PolarHBondContact O-N 3.23Å; L36-Q39 PolarHBondContact O-N 3.22Å; R37-Q39 VanDerWaalsContact C-N 3.31Å; R37-Q39 PolarHBondContact O-N 3.06Å; Q39-Y223 PolarHBondContact NE2-OH 3.43Å; Q39-T227 HydrophobicContact CB-CG2 4.38Å; Q39-T227 HydrophobicContact CG-CG2 4.3Å; Q39-S230 PolarHBondContact OE1-OG 2.93Å; Q39-V231 WeakPolarHBondContact O-CG2 3.32Å; Q39-R260 PolarHBondContact O-NH1 2.71Å; Q39-R260 PolarHBondContact O-NH2 2.97Å
40V83.4Confident81.4Confident8 Ų835.2 Ų35.25%0.04818%0.182CC..Hα-helixtrans-95.1-40.8-175.7176.80000112.8L36 R37 E42 L132 F137 I142 F234L36-V40 WeakPolarHBondContact O-CG2 3.46Å; L36-V40 PolarHBondContact O-N 3.11Å; R37-V40 PolarHBondContact O-N 3.39Å; V40-E42 PolarHBondContact O-N 2.78Å; V40-L132 HydrophobicContact CB-CD1 4.22Å; V40-L132 HydrophobicContact CG1-CD1 4.24Å; V40-L132 HydrophobicContact CG2-CD1 3.72Å; V40-F137 HydrophobicContact CG1-CE1 4.11Å; V40-I142 HydrophobicContact CG1-CD1 4.28Å; V40-F234 HydrophobicContact CG1-CB 4.25Å; V40-F234 HydrophobicContact CG1-CD1 3.36Å; V40-F234 HydrophobicContact CG1-CE1 3.74Å; V40-F234 HydrophobicContact CG1-CG 3.82Å; V40-F234 HydrophobicContact CG1-CZ 4.49Å; V40-F234 HydrophobicContact CG2-CB 4.24Å
41D81.8Confident81.2Confident2 Ų236.3 Ų36.31%0.01119%0.192CC..  trans-8686.7176.7-165.3-10000110.9R37 N43 R44 F137 H138R37-D41 WeakPolarHBondContact O-CA 3.48Å; R37-D41 WeakPolarHBondContact O-CB 3.22Å; R37-D41 PolarHBondContact O-N 3.24Å; D41-N43 PolarHBondContact O-N 3.08Å; D41-N43 PolarHBondContact OD1-N 3.44Å; D41-R44 HydrophobicContact CB-CB 4.31Å; D41-R44 PolarHBondContact O-N 3.23Å; D41-F137 HydrophobicContact CB-CD1 4.02Å; D41-H138 IonicContact OD2-CG 3.15Å; D41-H138 PolarHBondContact OD2-N 2.86Å; D41-H138 IonicContact OD2-ND1 2.7Å; D41-H138 PolarHBondContact OD2-ND1 3.27Å
42E72.5Confident80.9Confident33 Ų3335.3 Ų35.315%0.15419%0.187CC..THydrogen-bonded Turntrans-62.9-27.7-178.6-63.7-173.6173.700113.2V40 R260 H264 K271V40-E42 PolarHBondContact O-N 2.78Å; E42-R260 VanDerWaalsContact CG-NH2 3.28Å; E42-R260 IonicContact OE1-CZ 3.63Å; E42-R260 IonicContact OE1-NE 2.74Å; E42-R260 PolarHBondContact OE1-NE 3.47Å; E42-R260 IonicContact OE1-NH2 2.68Å; E42-R260 PolarHBondContact OE1-NH2 3.43Å; E42-H264 PolarHBondContact O-CE1 3.16Å; E42-H264 IonicContact OE2-CD2 3.18Å; E42-H264 IonicContact OE2-NE2 3.37Å; E42-K271 PolarHBondContact O-NZ 3Å
43N72.2Confident80.8Confident80 Ų8036.7 Ų36.743%0.42819%0.194SC..THydrogen-bonded Turntrans-90.4-6.2-173.3-70.9-24000114D41 K45 H138D41-N43 PolarHBondContact O-N 3.08Å; D41-N43 PolarHBondContact OD1-N 3.44Å; N43-K45 PolarHBondContact O-N 2.93Å; N43-H138 HydrophobicContact CB-CB 4.26Å
44R72.6Confident80.7Confident8 Ų838.4 Ų38.43%0.0321%0.209CC..  trans-63.8127.8-179.6-141165.7-154.4-102.5-0110.9D41 E59D41-R44 HydrophobicContact CB-CB 4.31Å; D41-R44 PolarHBondContact O-N 3.23Å; R44-E59 IonicContact CZ-OE2 3.82Å; R44-E59 VanDerWaalsContact NH2-CD 3.3Å; R44-E59 IonicContact NH2-OE1 3.37Å; R44-E59 PolarHBondContact NH2-OE1 2.94Å; R44-E59 IonicContact NH2-OE2 2.95Å; R44-E59 PolarHBondContact NH2-OE2 3.46Å
45K66.7Low80.5Confident201 Ų20140.8 Ų40.887%0.87422%0.222SC*.  trans-73.4-33.6-177.5-69.4-176.4179.9178.40112.8N43 K47N43-K45 PolarHBondContact O-N 2.93Å; K45-K47 PolarHBondContact O-N 3.29Å
46A69.1Low80.2Confident13 Ų1339.8 Ų39.811%0.10722%0.218CC..  trans-69.2118.8179.100000110.1L38 A51 I52 D55L38-A46 VanDerWaalsContact CD2-O 3.29Å; L38-A46 WeakPolarHBondContact CD2-O 3.32Å; A46-A51 HydrophobicContact CB-CB 4.28Å; A46-I52 HydrophobicContact CB-CD1 4.46Å; A46-I52 HydrophobicContact CB-CG1 3.48Å; A46-I52 VanDerWaalsContact CB-CG1 3.48Å; A46-I52 WeakPolarHBondContact O-CD1 3.35Å; A46-D55 WeakPolarHBondContact CB-OD2 3.19Å
47K69.3Low80.2Confident145 Ų14541.6 Ų41.663%0.6323%0.229SC*.  trans-100.6-24.7-178.9-64.5-176.9-177.1179.40112.9K45K45-K47 PolarHBondContact O-N 3.29Å
48S79Confident80.1Confident64 Ų6449.6 Ų49.645%0.44826%0.264SS..SBendtrans-94.3140.6-174.8-53.20000111.8A51 I52S48-A51 PolarHBondContact O-N 3.02Å; S48-I52 VanDerWaalsContact O-CD1 3.28Å; S48-I52 WeakPolarHBondContact O-CD1 2.97Å; S48-I52 WeakPolarHBondContact O-CG1 3.24Å; S48-I52 PolarHBondContact O-N 3.31Å; S48-I52 VanDerWaalsContact O-N 3.13Å
49T82.3Confident80Confident3 Ų352.4 Ų52.42%0.01828%0.277CS..Hα-helixtrans-54.5-45.1-176.2-52.20000113.8L31 A34 L53 E274 A275L31-T49 HydrophobicContact CD2-CG2 3.52Å; A34-T49 HydrophobicContact CB-CG2 4.43Å; T49-L53 HydrophobicContact CG2-CD1 4.43Å; T49-L53 WeakPolarHBondContact O-CG 3.33Å; T49-L53 PolarHBondContact O-N 3.02Å; T49-E274 WeakPolarHBondContact CB-OE2 3.38Å; T49-E274 PolarHBondContact N-OE2 3.09Å; T49-E274 VanDerWaalsContact OG1-CD 3.24Å; T49-E274 PolarHBondContact OG1-OE2 3.44Å; T49-A275 HydrophobicContact CG2-CB 3.71Å; T49-A275 PolarHBondContact OG1-N 2.84Å
50P83.7Confident79.8Confident88 Ų8854.3 Ų54.357%0.57129%0.286SS*.Hα-helixtrans-69.7-37.2179.9-17.932.4000113.1I52 L53 A54P50-I52 VanDerWaalsContact C-N 3.33Å; P50-I52 PolarHBondContact O-N 3.48Å; P50-L53 PolarHBondContact O-N 3.3Å; P50-A54 WeakPolarHBondContact O-CB 3.44Å; P50-A54 PolarHBondContact O-N 3.42Å
51A85Confident79.9Confident43 Ų4355.4 Ų55.436%0.35530%0.299SS..Hα-helixtrans-63.1-42.3179.200000110.9A46 S48 A54 D55A46-A51 HydrophobicContact CB-CB 4.28Å; S48-A51 PolarHBondContact O-N 3.02Å; A51-A54 PolarHBondContact O-N 3.19Å; A51-D55 WeakPolarHBondContact O-CB 3.15Å; A51-D55 VanDerWaalsContact O-CG 3.22Å; A51-D55 PolarHBondContact O-N 3.09Å
52I84.4Confident80Confident0 Ų062 Ų620%033%0.334CS..Hα-helixtrans-67.1-42.5178.1-67.8149.7000111.4A34 L38 A46 S48 P50 A54 D55 I56A34-I52 HydrophobicContact CB-CG2 4.14Å; L38-I52 HydrophobicContact CD1-CD1 3.22Å; L38-I52 HydrophobicContact CD2-CD1 3.28Å; L38-I52 HydrophobicContact CD2-CG1 4.16Å; L38-I52 HydrophobicContact CG-CD1 3.29Å; L38-I52 HydrophobicContact CG-CG1 4.38Å; A46-I52 HydrophobicContact CB-CD1 4.46Å; A46-I52 HydrophobicContact CB-CG1 3.48Å; A46-I52 VanDerWaalsContact CB-CG1 3.48Å; A46-I52 WeakPolarHBondContact O-CD1 3.35Å; S48-I52 VanDerWaalsContact O-CD1 3.28Å; S48-I52 WeakPolarHBondContact O-CD1 2.97Å; S48-I52 WeakPolarHBondContact O-CG1 3.24Å; S48-I52 PolarHBondContact O-N 3.31Å; S48-I52 VanDerWaalsContact O-N 3.13Å; P50-I52 VanDerWaalsContact C-N 3.33Å; P50-I52 PolarHBondContact O-N 3.48Å; I52-A54 VanDerWaalsContact C-N 3.3Å; I52-A54 PolarHBondContact O-N 3.5Å; I52-D55 PolarHBondContact O-N 3.15Å; I52-I56 HydrophobicContact CG2-CD1 3.62Å; I52-I56 HydrophobicContact CG2-CG1 4.17Å; I52-I56 WeakPolarHBondContact O-CB 3.32Å; I52-I56 WeakPolarHBondContact O-CD1 3.31Å; I52-I56 WeakPolarHBondContact O-CG1 3.47Å; I52-I56 PolarHBondContact O-N 2.7Å
53L84.9Confident80.5Confident39 Ų3967.4 Ų67.420%0.20436%0.363CS..Hα-helixtrans-60.6-43.1176.1-73.8173.9000111.2P30 L31 A34 T49 P50 I56 V57P30-L53 HydrophobicContact CB-CD2 3.8Å; P30-L53 WeakPolarHBondContact O-CD2 3.4Å; L31-L53 HydrophobicContact CD2-CD1 4.31Å; A34-L53 HydrophobicContact CB-CD2 4Å; A34-L53 HydrophobicContact CB-CG 4.17Å; T49-L53 HydrophobicContact CG2-CD1 4.43Å; T49-L53 WeakPolarHBondContact O-CG 3.33Å; T49-L53 PolarHBondContact O-N 3.02Å; P50-L53 PolarHBondContact O-N 3.3Å; L53-I56 PolarHBondContact O-N 3.17Å; L53-V57 VanDerWaalsContact O-CG2 3.31Å; L53-V57 WeakPolarHBondContact O-CG2 3.21Å; L53-V57 PolarHBondContact O-N 3.14Å
54A85.1Confident81Confident43 Ų4363.9 Ų63.936%0.35535%0.345SS..Hα-helixtrans-62-43.8174.700000112P50 A51 I52 V57 K58P50-A54 WeakPolarHBondContact O-CB 3.44Å; P50-A54 PolarHBondContact O-N 3.42Å; A51-A54 PolarHBondContact O-N 3.19Å; I52-A54 VanDerWaalsContact C-N 3.3Å; I52-A54 PolarHBondContact O-N 3.5Å; A54-V57 PolarHBondContact O-N 3.39Å; A54-K58 WeakPolarHBondContact O-CB 3.09Å; A54-K58 VanDerWaalsContact O-CG 3.28Å; A54-K58 WeakPolarHBondContact O-CG 3.47Å; A54-K58 PolarHBondContact O-N 2.68Å
55D84.2Confident81.5Confident50 Ų5063.9 Ų63.927%0.26735%0.346SS..Hα-helixtrans-63.8-41.9177.2-70.9-12000111.9A46 A51 I52 V57 K58 E59A46-D55 WeakPolarHBondContact CB-OD2 3.19Å; A51-D55 WeakPolarHBondContact O-CB 3.15Å; A51-D55 VanDerWaalsContact O-CG 3.22Å; A51-D55 PolarHBondContact O-N 3.09Å; I52-D55 PolarHBondContact O-N 3.15Å; D55-V57 VanDerWaalsContact C-N 3.34Å; D55-V57 PolarHBondContact O-N 3.16Å; D55-K58 PolarHBondContact O-N 2.78Å; D55-E59 VanDerWaalsContact O-CB 3.29Å; D55-E59 WeakPolarHBondContact O-CB 2.81Å; D55-E59 VanDerWaalsContact O-CG 3.32Å; D55-E59 WeakPolarHBondContact O-CG 3.2Å; D55-E59 PolarHBondContact O-N 3.37Å
56I83.1Confident82.4Confident0 Ų058.9 Ų58.90%032%0.322CS..Hα-helixtrans-60.6-46.4176.5-67.6165.4000110.1I52 L53 K58 E59 E60 A64 P65I52-I56 HydrophobicContact CG2-CD1 3.62Å; I52-I56 HydrophobicContact CG2-CG1 4.17Å; I52-I56 WeakPolarHBondContact O-CB 3.32Å; I52-I56 WeakPolarHBondContact O-CD1 3.31Å; I52-I56 WeakPolarHBondContact O-CG1 3.47Å; I52-I56 PolarHBondContact O-N 2.7Å; L53-I56 PolarHBondContact O-N 3.17Å; I56-K58 VanDerWaalsContact C-N 3.32Å; I56-K58 PolarHBondContact O-N 2.74Å; I56-E59 PolarHBondContact O-N 3.15Å; I56-E60 WeakPolarHBondContact O-CB 3.41Å; I56-E60 PolarHBondContact O-N 3.42Å; I56-A64 HydrophobicContact CG2-CB 3.7Å; I56-P65 HydrophobicContact CG2-CG 4Å
57V86.8Confident83Confident48 Ų4863.3 Ų63.329%0.29134%0.336SS..Hα-helixtrans-63.6-39.3179168.60000111.4L53 A54 D55 G61 L62 P65L53-V57 VanDerWaalsContact O-CG2 3.31Å; L53-V57 WeakPolarHBondContact O-CG2 3.21Å; L53-V57 PolarHBondContact O-N 3.14Å; A54-V57 PolarHBondContact O-N 3.39Å; D55-V57 VanDerWaalsContact C-N 3.34Å; D55-V57 PolarHBondContact O-N 3.16Å; V57-G61 CarbonylContact O-C 3.47Å; V57-G61 WeakPolarHBondContact O-CA 3.34Å; V57-G61 PolarHBondContact O-N 3.14Å; V57-L62 HydrophobicContact CG1-CD2 3.48Å; V57-L62 VanDerWaalsContact CG1-CD2 3.48Å; V57-L62 HydrophobicContact CG1-CG 4.16Å; V57-P65 HydrophobicContact CG2-CG 4Å
58K85.5Confident83.3Confident173 Ų17357.1 Ų57.175%0.75231%0.314SS*.Hα-helixtrans-70.4-40.9177.5-73.8175.6-179.3-178.60113A54 D55 I56A54-K58 WeakPolarHBondContact O-CB 3.09Å; A54-K58 VanDerWaalsContact O-CG 3.28Å; A54-K58 WeakPolarHBondContact O-CG 3.47Å; A54-K58 PolarHBondContact O-N 2.68Å; D55-K58 PolarHBondContact O-N 2.78Å; I56-K58 VanDerWaalsContact C-N 3.32Å; I56-K58 PolarHBondContact O-N 2.74Å
59E83.2Confident83.5Confident59 Ų5958.2 Ų58.228%0.27631%0.308SS..Hα-helixtrans-82.7-31.8-174.2-74.1174.8-162.300113.8R44 D55 I56 K136 H138R44-E59 IonicContact CZ-OE2 3.82Å; R44-E59 VanDerWaalsContact NH2-CD 3.3Å; R44-E59 IonicContact NH2-OE1 3.37Å; R44-E59 PolarHBondContact NH2-OE1 2.94Å; R44-E59 IonicContact NH2-OE2 2.95Å; R44-E59 PolarHBondContact NH2-OE2 3.46Å; D55-E59 VanDerWaalsContact O-CB 3.29Å; D55-E59 WeakPolarHBondContact O-CB 2.81Å; D55-E59 VanDerWaalsContact O-CG 3.32Å; D55-E59 WeakPolarHBondContact O-CG 3.2Å; D55-E59 PolarHBondContact O-N 3.37Å; I56-E59 PolarHBondContact O-N 3.15Å; E59-K136 HydrophobicContact CB-CD 4.37Å; E59-K136 PolarHBondContact O-NZ 2.89Å; E59-H138 IonicContact OE1-CE1 3.93Å; E59-H138 IonicContact OE2-CE1 2.8Å
60E80.9Confident83.5Confident41 Ų4165.1 Ų65.119%0.19234%0.338CS..Hα-helixtrans-130.3-6.3-168.5-63.2177.3-15300114R37 I56 A64 S135 K136R37-E60 IonicContact CZ-OE1 3.24Å; R37-E60 IonicContact CZ-OE2 3.94Å; R37-E60 IonicContact NH1-OE1 2.62Å; R37-E60 PolarHBondContact NH1-OE1 2.93Å; R37-E60 IonicContact NH1-OE2 3.04Å; R37-E60 PolarHBondContact NH1-OE2 2.88Å; R37-E60 VanDerWaalsContact NH1-OE2 3.15Å; R37-E60 IonicContact NH2-OE1 2.65Å; R37-E60 IonicContact NH2-OE2 2.64Å; R37-E60 PolarHBondContact NH2-OE2 3.48Å; I56-E60 WeakPolarHBondContact O-CB 3.41Å; I56-E60 PolarHBondContact O-N 3.42Å; E60-A64 HydrophobicContact CB-CB 3.38Å; E60-S135 WeakPolarHBondContact OE1-CA 3.46Å; E60-K136 HydrophobicContact CG-CD 4.27Å; E60-K136 HydrophobicContact CG-CG 4.27Å; E60-K136 PolarHBondContact OE1-N 3.27Å
61G84.8Confident83.1Confident30 Ų3062.2 Ų62.231%0.30932%0.319SS..  trans95.6171.4177.700000114.8V57 L63 A64V57-G61 CarbonylContact O-C 3.47Å; V57-G61 WeakPolarHBondContact O-CA 3.34Å; V57-G61 PolarHBondContact O-N 3.14Å; G61-L63 VanDerWaalsContact C-N 3.27Å; G61-L63 PolarHBondContact O-N 3.37Å; G61-A64 VanDerWaalsContact O-CB 3.29Å; G61-A64 WeakPolarHBondContact O-CB 3.25Å; G61-A64 PolarHBondContact O-N 2.89Å; G61-A64 VanDerWaalsContact O-N 3.16Å
62L84.3Confident82.8Confident142 Ų14260.5 Ų60.574%0.74330%0.304SS*.THydrogen-bonded Turntrans-64.4-25.8-172.7-70.1165.8000114.5V57 P65V57-L62 HydrophobicContact CG1-CD2 3.48Å; V57-L62 VanDerWaalsContact CG1-CD2 3.48Å; V57-L62 HydrophobicContact CG1-CG 4.16Å; L62-P65 WeakPolarHBondContact O-CD 3.36Å
63L83.3Confident82.6Confident146 Ų14662 Ų6276%0.76431%0.312SS*.THydrogen-bonded Turntrans-88.1-10.5179.7-65.2175.6000113.3G61 P65 Y66 R67G61-L63 VanDerWaalsContact C-N 3.27Å; G61-L63 PolarHBondContact O-N 3.37Å; L63-P65 VanDerWaalsContact C-CD 3.48Å; L63-Y66 PolarHBondContact O-N 3.28Å; L63-Y66 VanDerWaalsContact O-N 3.08Å; L63-R67 PolarHBondContact O-N 2.85Å
64A82.1Confident82.5Confident6 Ų662.5 Ų62.55%0.0532%0.318CS..G310 helixtrans-60.7-36.7-17700000114.6I56 E60 G61 Y66 R67I56-A64 HydrophobicContact CG2-CB 3.7Å; E60-A64 HydrophobicContact CB-CB 3.38Å; G61-A64 VanDerWaalsContact O-CB 3.29Å; G61-A64 WeakPolarHBondContact O-CB 3.25Å; G61-A64 PolarHBondContact O-N 2.89Å; G61-A64 VanDerWaalsContact O-N 3.16Å; A64-Y66 PolarHBondContact O-N 2.94Å; A64-R67 VanDerWaalsContact O-CB 3.24Å; A64-R67 WeakPolarHBondContact O-CB 3.47Å; A64-R67 PolarHBondContact O-N 3.37Å; A64-R67 VanDerWaalsContact O-N 3.16Å
65P84.9Confident81.9Confident8 Ų860.5 Ų60.55%0.05230%0.301CS..G310 helixtrans-62.9-24175-23.334.8000114F29 P30 T33 I56 V57 L62 L63F29-P65 VanDerWaalsContact CD1-O 3.28Å; F29-P65 WeakPolarHBondContact CD1-O 3.49Å; P30-P65 HydrophobicContact CB-CB 3.88Å; P30-P65 HydrophobicContact CG-CB 4.13Å; T33-P65 WeakPolarHBondContact CB-O 3.46Å; T33-P65 PolarHBondContact OG1-O 3.15Å; I56-P65 HydrophobicContact CG2-CG 4Å; V57-P65 HydrophobicContact CG2-CG 4Å; L62-P65 WeakPolarHBondContact O-CD 3.36Å; L63-P65 VanDerWaalsContact C-CD 3.48Å
66Y85.6Confident81.5Confident95 Ų9560.6 Ų60.637%0.37330%0.302SS..G310 helixtrans-95.55.1179.3-73.8-85.4000113.7T26 F29 P30 L63 A64 G68 W69T26-Y66 HydrophobicContact CG2-CE1 4.48Å; T26-Y66 VanDerWaalsContact O-CE1 3.28Å; T26-Y66 WeakPolarHBondContact O-CE1 3.48Å; F29-Y66 HydrophobicContact CB-CD1 4.26Å; F29-Y66 HydrophobicContact CB-CE1 4.14Å; F29-Y66 HydrophobicContact CD1-CD1 4.3Å; P30-Y66 HydrophobicContact CG-CD2 4.43Å; P30-Y66 HydrophobicContact CG-CE1 4.32Å; P30-Y66 HydrophobicContact CG-CE2 3.71Å; L63-Y66 PolarHBondContact O-N 3.28Å; L63-Y66 VanDerWaalsContact O-N 3.08Å; A64-Y66 PolarHBondContact O-N 2.94Å; Y66-G68 PolarHBondContact O-N 2.92Å; Y66-W69 WeakPolarHBondContact O-CB 3.36Å; Y66-W69 PolarHBondContact O-N 3.43Å; Y66-W69 VanDerWaalsContact O-N 3.09Å
67R80.1Confident81.4Confident106 Ų10664.2 Ų64.240%0.433%0.326SS..THydrogen-bonded Turntrans-62.5129.1-178.9-160.7173.7-156.8159.53.7110.9L63 A64 W69 Q133 G134L63-R67 PolarHBondContact O-N 2.85Å; A64-R67 VanDerWaalsContact O-CB 3.24Å; A64-R67 WeakPolarHBondContact O-CB 3.47Å; A64-R67 PolarHBondContact O-N 3.37Å; A64-R67 VanDerWaalsContact O-N 3.16Å; R67-W69 VanDerWaalsContact C-N 3.32Å; R67-W69 PolarHBondContact O-N 2.88Å; R67-Q133 VanDerWaalsContact CD-O 3.3Å; R67-Q133 WeakPolarHBondContact CD-O 3.27Å; R67-Q133 PolarHBondContact NE-O 2.96Å; R67-G134 VanDerWaalsContact NH1-C 3.3Å; R67-G134 PolarHBondContact NH1-O 2.63Å
68G76.6Confident80.9Confident16 Ų1665 Ų6517%0.16533%0.333CS..THydrogen-bonded Turntrans805.1-177.700000115Y66 F70 P71 V72Y66-G68 PolarHBondContact O-N 2.92Å; G68-F70 PolarHBondContact O-N 3.5Å; G68-P71 WeakPolarHBondContact O-CD 3.29Å; G68-V72 WeakPolarHBondContact O-CB 3.24Å; G68-V72 WeakPolarHBondContact O-CG2 3.37Å; G68-V72 PolarHBondContact O-N 3.4Å; G68-V72 VanDerWaalsContact O-N 3.15Å
69W83.3Confident80.3Confident87 Ų8757 Ų5733%0.3330%0.299SS..Hα-helixtrans-54.3-49.8177.1171.184.3000113.3T26 F29 Y66 R67 V72 I73T26-W69 HydrophobicContact CG2-CZ2 4.09Å; T26-W69 PolarHBondContact OG1-NE1 3.44Å; F29-W69 HydrophobicContact CD1-CB 4.27Å; F29-W69 HydrophobicContact CD2-CB 4.48Å; F29-W69 AromaticContact CD2-CD1 3.77Å; F29-W69 HydrophobicContact CE1-CB 4Å; F29-W69 HydrophobicContact CE2-CB 4.21Å; F29-W69 HydrophobicContact CG-CB 4.49Å; F29-W69 AromaticContact CG-CD1 3.96Å; F29-W69 VanDerWaalsContact CZ-CA 3.48Å; F29-W69 HydrophobicContact CZ-CB 3.97Å; Y66-W69 WeakPolarHBondContact O-CB 3.36Å; Y66-W69 PolarHBondContact O-N 3.43Å; Y66-W69 VanDerWaalsContact O-N 3.09Å; R67-W69 VanDerWaalsContact C-N 3.32Å; R67-W69 PolarHBondContact O-N 2.88Å; W69-V72 WeakPolarHBondContact O-CB 3.36Å; W69-V72 PolarHBondContact O-N 2.79Å; W69-I73 HydrophobicContact CD2-CD1 3.98Å; W69-I73 HydrophobicContact CG-CD1 4.47Å; W69-I73 HydrophobicContact CH2-CD1 4.07Å; W69-I73 HydrophobicContact CZ2-CD1 3.26Å; W69-I73 VanDerWaalsContact NE1-CD1 3.29Å; W69-I73 PolarHBondContact O-N 3.43Å
70F81.1Confident80.1Confident148 Ų14857.6 Ų57.665%0.64930%0.304SS*.Hα-helixtrans-63.4-50.9-177.9175.6-94000113.1G68 V72 I73 C74G68-F70 PolarHBondContact O-N 3.5Å; F70-V72 PolarHBondContact O-N 3.32Å; F70-I73 PolarHBondContact O-N 2.78Å; F70-C74 WeakPolarHBondContact O-CB 3.36Å; F70-C74 PolarHBondContact O-N 2.93Å
71P76.4Confident80Confident27 Ų2762.5 Ų62.518%0.17533%0.325CS..Hα-helixtrans-54.9-34.1173.3-27.232.5000113.8G68 S75 L130 I150G68-P71 WeakPolarHBondContact O-CD 3.29Å; P71-S75 WeakPolarHBondContact O-CB 3.49Å; P71-S75 PolarHBondContact O-N 3.47Å; P71-L130 HydrophobicContact CB-CD1 3.81Å; P71-L130 HydrophobicContact CG-CD1 4.45Å; P71-I150 HydrophobicContact CB-CD1 4.3Å; P71-I150 HydrophobicContact CB-CG1 4.09Å
72V78.1Confident79.6Confident7 Ų763.2 Ų63.24%0.04232%0.323CS..Hα-helixtrans-73.5-42.9-177170.40000111.7M25 F29 G68 W69 F70 L76 K131M25-V72 HydrophobicContact CE-CG1 4.31Å; F29-V72 HydrophobicContact CE2-CB 4.28Å; F29-V72 HydrophobicContact CE2-CG1 4.13Å; F29-V72 HydrophobicContact CZ-CG2 4.49Å; G68-V72 WeakPolarHBondContact O-CB 3.24Å; G68-V72 WeakPolarHBondContact O-CG2 3.37Å; G68-V72 PolarHBondContact O-N 3.4Å; G68-V72 VanDerWaalsContact O-N 3.15Å; W69-V72 WeakPolarHBondContact O-CB 3.36Å; W69-V72 PolarHBondContact O-N 2.79Å; F70-V72 PolarHBondContact O-N 3.32Å; V72-L76 WeakPolarHBondContact O-CB 3.39Å; V72-L76 PolarHBondContact O-N 3.1Å; V72-K131 VanDerWaalsContact CG1-CE 3.43Å; V72-K131 HydrophobicContact CG2-CD 3.82Å; V72-K131 HydrophobicContact CG2-CG 3.43Å; V72-K131 VanDerWaalsContact CG2-CG 3.43Å
73I81.3Confident79.1Confident32 Ų3260.3 Ų60.316%0.16430%0.303CS..Hα-helixtrans-62.6-48.9173.4-70.1-177.4000109.9V22 W69 F70 S75 L76 C77V22-I73 HydrophobicContact CG1-CD1 4.1Å; W69-I73 HydrophobicContact CD2-CD1 3.98Å; W69-I73 HydrophobicContact CG-CD1 4.47Å; W69-I73 HydrophobicContact CH2-CD1 4.07Å; W69-I73 HydrophobicContact CZ2-CD1 3.26Å; W69-I73 VanDerWaalsContact NE1-CD1 3.29Å; W69-I73 PolarHBondContact O-N 3.43Å; F70-I73 PolarHBondContact O-N 2.78Å; I73-S75 VanDerWaalsContact C-N 3.32Å; I73-S75 PolarHBondContact O-N 3.24Å; I73-L76 WeakPolarHBondContact O-CB 3.49Å; I73-L76 PolarHBondContact O-N 2.77Å; I73-L76 VanDerWaalsContact O-N 3.14Å; I73-C77 PolarHBondContact O-N 3.47Å; I73-C77 PolarHBondContact O-SG 3.07Å
74C80.8Confident78.7Confident48 Ų4858.8 Ų58.832%0.32429%0.29SS..Hα-helixtrans-57.1-47.6-179.8-178.40000111.4F70 L76 C77 C78 I150F70-C74 WeakPolarHBondContact O-CB 3.36Å; F70-C74 PolarHBondContact O-N 2.93Å; C74-L76 PolarHBondContact O-N 2.99Å; C74-C77 WeakPolarHBondContact O-CB 3.38Å; C74-C77 PolarHBondContact O-N 2.9Å; C74-C78 PolarHBondContact O-N 3.07Å; C74-C78 PolarHBondContact O-SG 2.89Å; C74-C78 VanDerWaalsContact O-SG 3.33Å; C74-I150 HydrophobicContact CB-CD1 4.2Å
75S73.8Confident78.6Confident1 Ų165.5 Ų65.51%0.00732%0.315CS..Hα-helixtrans-71.2-29.2178.9-172.70000113.3P71 I73 S79 N127P71-S75 WeakPolarHBondContact O-CB 3.49Å; P71-S75 PolarHBondContact O-N 3.47Å; I73-S75 VanDerWaalsContact C-N 3.32Å; I73-S75 PolarHBondContact O-N 3.24Å; S75-S79 WeakPolarHBondContact O-CB 3.42Å; S75-S79 PolarHBondContact O-N 2.93Å; S75-N127 WeakPolarHBondContact CB-ND2 3.32Å; S75-N127 WeakPolarHBondContact CB-OD1 3.27Å; S75-N127 PolarHBondContact OG-ND2 2.62Å; S75-N127 PolarHBondContact OG-OD1 2.8Å
76L75.9Confident77.9Confident53 Ų5366.9 Ų66.928%0.27732%0.324SS..Hα-helixtrans-66.1-43170.8-17365.8000111V72 I73 C74 S79 N80V72-L76 WeakPolarHBondContact O-CB 3.39Å; V72-L76 PolarHBondContact O-N 3.1Å; I73-L76 WeakPolarHBondContact O-CB 3.49Å; I73-L76 PolarHBondContact O-N 2.77Å; I73-L76 VanDerWaalsContact O-N 3.14Å; C74-L76 PolarHBondContact O-N 2.99Å; L76-S79 PolarHBondContact O-N 3.21Å; L76-N80 VanDerWaalsContact O-CB 3.31Å; L76-N80 WeakPolarHBondContact O-CB 3.4Å; L76-N80 VanDerWaalsContact O-CG 3.24Å; L76-N80 PolarHBondContact O-N 3.36Å; L76-N80 PolarHBondContact O-ND2 3.27Å
77C80Confident77.1Confident76 Ų7665.4 Ų65.451%0.51432%0.32SS..Hα-helixtrans-60.1-48.8173.3-67.20000111.2I73 C74 N80 F81I73-C77 PolarHBondContact O-N 3.47Å; I73-C77 PolarHBondContact O-SG 3.07Å; C74-C77 WeakPolarHBondContact O-CB 3.38Å; C74-C77 PolarHBondContact O-N 2.9Å; C77-N80 PolarHBondContact O-N 2.93Å; C77-F81 WeakPolarHBondContact O-CB 3.34Å; C77-F81 PolarHBondContact O-N 3.44Å
78C77.6Confident76.7Confident63 Ų6365.8 Ų65.843%0.42633%0.326SS..Hα-helixtrans-61.9-45.2176.8-67.90000112.2C74 N80 F81 V82C74-C78 PolarHBondContact O-N 3.07Å; C74-C78 PolarHBondContact O-SG 2.89Å; C74-C78 VanDerWaalsContact O-SG 3.33Å; C78-N80 PolarHBondContact O-N 3.31Å; C78-F81 PolarHBondContact O-N 3.15Å; C78-V82 VanDerWaalsContact O-CG2 3.31Å; C78-V82 WeakPolarHBondContact O-CG2 3.28Å; C78-V82 PolarHBondContact O-N 3.32Å
79S72.8Confident76.4Confident6 Ų673.1 Ų73.14%0.04235%0.349CS..Hα-helixtrans-61.6-44.9178.5176.70000111.5S75 L76 Y83 T120S75-S79 WeakPolarHBondContact O-CB 3.42Å; S75-S79 PolarHBondContact O-N 2.93Å; L76-S79 PolarHBondContact O-N 3.21Å; S79-Y83 WeakPolarHBondContact O-CB 3.28Å; S79-Y83 PolarHBondContact O-N 3.07Å; S79-T120 WeakPolarHBondContact OG-CG2 3.5Å
80N77.9Confident75.6Confident71 Ų7170.6 Ų70.638%0.3834%0.341SS..Hα-helixtrans-66.9-40.7177.3-73.9-13.8000111.4L76 C77 C78 Y83 F84L76-N80 VanDerWaalsContact O-CB 3.31Å; L76-N80 WeakPolarHBondContact O-CB 3.4Å; L76-N80 VanDerWaalsContact O-CG 3.24Å; L76-N80 PolarHBondContact O-N 3.36Å; L76-N80 PolarHBondContact O-ND2 3.27Å; C77-N80 PolarHBondContact O-N 2.93Å; C78-N80 PolarHBondContact O-N 3.31Å; N80-Y83 PolarHBondContact O-N 3.37Å; N80-F84 HydrophobicContact CB-CD2 4.48Å; N80-F84 HydrophobicContact CB-CE2 4.5Å; N80-F84 WeakPolarHBondContact O-CD2 3.44Å; N80-F84 PolarHBondContact O-N 3.44Å
81F79.8Confident74.8Confident145 Ų14568.9 Ų68.964%0.63633%0.334SS*.Hα-helixtrans-59.8-50.2175.8179-96.1000111.6C77 C78 Y83 F84 Y85C77-F81 WeakPolarHBondContact O-CB 3.34Å; C77-F81 PolarHBondContact O-N 3.44Å; C78-F81 PolarHBondContact O-N 3.15Å; F81-Y83 VanDerWaalsContact C-N 3.32Å; F81-Y83 PolarHBondContact O-N 2.94Å; F81-F84 PolarHBondContact O-N 3.16Å; F81-Y85 WeakPolarHBondContact O-CB 3.31Å; F81-Y85 PolarHBondContact O-N 3.07Å
82V76.8Confident74.5Confident45 Ų4570.7 Ų70.727%0.27335%0.351SS..Hα-helixtrans-60.1-43.7176.7172.10000110.8C78 C86 L119C78-V82 VanDerWaalsContact O-CG2 3.31Å; C78-V82 WeakPolarHBondContact O-CG2 3.28Å; C78-V82 PolarHBondContact O-N 3.32Å; V82-C86 VanDerWaalsContact O-CB 3.25Å; V82-C86 WeakPolarHBondContact O-CB 3.5Å; V82-C86 PolarHBondContact O-N 2.95Å; V82-C86 PolarHBondContact O-SG 2.65Å; V82-L119 HydrophobicContact CG1-CB 4.28Å; V82-L119 HydrophobicContact CG1-CD1 4.33Å
83Y73.1Confident73.8Confident80 Ų8073.6 Ų73.631%0.31437%0.371SS..Hα-helixtrans-58-56.3176.6171.2-114.2000112S79 N80 F81 Y85 F87 N116S79-Y83 WeakPolarHBondContact O-CB 3.28Å; S79-Y83 PolarHBondContact O-N 3.07Å; N80-Y83 PolarHBondContact O-N 3.37Å; F81-Y83 VanDerWaalsContact C-N 3.32Å; F81-Y83 PolarHBondContact O-N 2.94Å; Y83-Y85 VanDerWaalsContact C-N 3.35Å; Y83-Y85 PolarHBondContact O-N 2.59Å; Y83-F87 HydrophobicContact CD2-CB 4.48Å; Y83-F87 HydrophobicContact CE2-CB 4.35Å; Y83-F87 HydrophobicContact CE2-CD2 4.37Å; Y83-F87 HydrophobicContact CE2-CG 4.48Å; Y83-F87 WeakPolarHBondContact O-CB 3.34Å; Y83-F87 PolarHBondContact O-N 3Å; Y83-N116 HydrophobicContact CD2-CB 4.01Å; Y83-N116 WeakPolarHBondContact CD2-OD1 3.27Å; Y83-N116 HydrophobicContact CE2-CB 4.24Å
84F75.1Confident72.9Confident114 Ų11477.7 Ų77.750%0.539%0.385SS..Hα-helixtrans-62.7-43.5-178.3-78.3-66.4000111.3N80 F81 H88N80-F84 HydrophobicContact CB-CD2 4.48Å; N80-F84 HydrophobicContact CB-CE2 4.5Å; N80-F84 WeakPolarHBondContact O-CD2 3.44Å; N80-F84 PolarHBondContact O-N 3.44Å; F81-F84 PolarHBondContact O-N 3.16Å; F84-H88 VanDerWaalsContact O-CB 3.23Å; F84-H88 WeakPolarHBondContact O-CB 3.32Å; F84-H88 PolarHBondContact O-CD2 2.93Å; F84-H88 PolarHBondContact O-N 2.91Å
85Y79.1Confident71.8Confident148 Ų14881.1 Ų81.158%0.5840%0.4SS*.Hα-helixtrans-62.5-53.1179.6-173.6-96.3000112F81 Y83 F87 H88 W89F81-Y85 WeakPolarHBondContact O-CB 3.31Å; F81-Y85 PolarHBondContact O-N 3.07Å; Y83-Y85 VanDerWaalsContact C-N 3.35Å; Y83-Y85 PolarHBondContact O-N 2.59Å; Y85-F87 PolarHBondContact O-N 3.24Å; Y85-H88 PolarHBondContact O-N 2.87Å; Y85-W89 VanDerWaalsContact O-CB 3.24Å; Y85-W89 WeakPolarHBondContact O-CB 3.28Å; Y85-W89 PolarHBondContact O-N 3.32Å
86C71.8Confident71Confident36 Ų3690.3 Ų90.324%0.24344%0.439CS..Hα-helixtrans-66-39.7-179.8-72.60000112.3V82 M90 L119V82-C86 VanDerWaalsContact O-CB 3.25Å; V82-C86 WeakPolarHBondContact O-CB 3.5Å; V82-C86 PolarHBondContact O-N 2.95Å; V82-C86 PolarHBondContact O-SG 2.65Å; C86-M90 WeakPolarHBondContact O-CB 3.44Å; C86-M90 PolarHBondContact O-N 3.05Å; C86-L119 HydrophobicContact CB-CD1 4.14Å
87F68.3Low69.9Low64 Ų6491.7 Ų91.728%0.28145%0.453SS..Hα-helixtrans-65.7-46.4178.3-175.6-97.9000111.6Y83 Y85 M90 K91 A112Y83-F87 HydrophobicContact CD2-CB 4.48Å; Y83-F87 HydrophobicContact CE2-CB 4.35Å; Y83-F87 HydrophobicContact CE2-CD2 4.37Å; Y83-F87 HydrophobicContact CE2-CG 4.48Å; Y83-F87 WeakPolarHBondContact O-CB 3.34Å; Y83-F87 PolarHBondContact O-N 3Å; Y85-F87 PolarHBondContact O-N 3.24Å; F87-M90 PolarHBondContact O-N 3.07Å; F87-K91 HydrophobicContact CE1-CD 4.08Å; F87-K91 VanDerWaalsContact O-CB 3.28Å; F87-K91 WeakPolarHBondContact O-CB 3.12Å; F87-K91 PolarHBondContact O-N 2.7Å; F87-A112 HydrophobicContact CD2-CB 4.11Å; F87-A112 HydrophobicContact CE2-CB 4.13Å
88H70.6Confident68.5Low115 Ų11599 Ų9953%0.53247%0.47SS..Hα-helixtrans-65.8-39.9176.7-86.3-92.5000112.1F84 Y85 M90 K91 A92F84-H88 VanDerWaalsContact O-CB 3.23Å; F84-H88 WeakPolarHBondContact O-CB 3.32Å; F84-H88 PolarHBondContact O-CD2 2.93Å; F84-H88 PolarHBondContact O-N 2.91Å; Y85-H88 PolarHBondContact O-N 2.87Å; H88-M90 VanDerWaalsContact C-N 3.34Å; H88-M90 PolarHBondContact O-N 3.11Å; H88-K91 PolarHBondContact O-N 2.86Å; H88-A92 WeakPolarHBondContact O-CB 3.31Å; H88-A92 PolarHBondContact O-N 3.13Å
89W71.8Confident67.4Low169 Ų169105 Ų10564%0.6449%0.492SS*.Hα-helixtrans-60.9-43.6176-177.679.3000112Y85 S93Y85-W89 VanDerWaalsContact O-CB 3.24Å; Y85-W89 WeakPolarHBondContact O-CB 3.28Å; Y85-W89 PolarHBondContact O-N 3.32Å; W89-S93 WeakPolarHBondContact O-CB 3.46Å; W89-S93 PolarHBondContact O-N 2.93Å; W89-S93 PolarHBondContact O-OG 3.4Å
90M65.4Low66.7Low34 Ų34107.8 Ų107.817%0.16751%0.511CS..Hα-helixtrans-66.6-45.1177.3-162.7-179.9-43.300111.7C86 F87 H88 W94 A112 I115C86-M90 WeakPolarHBondContact O-CB 3.44Å; C86-M90 PolarHBondContact O-N 3.05Å; F87-M90 PolarHBondContact O-N 3.07Å; H88-M90 VanDerWaalsContact C-N 3.34Å; H88-M90 PolarHBondContact O-N 3.11Å; M90-W94 VanDerWaalsContact O-CB 3.29Å; M90-W94 WeakPolarHBondContact O-CB 3.47Å; M90-W94 PolarHBondContact O-N 3.17Å; M90-W94 VanDerWaalsContact O-N 3.1Å; M90-A112 HydrophobicContact CE-CB 4.21Å; M90-A112 HydrophobicContact SD-CB 3.57Å; M90-A112 VanDerWaalsContact SD-CB 3.57Å; M90-I115 HydrophobicContact CE-CB 4.11Å; M90-I115 HydrophobicContact CE-CD1 3.6Å; M90-I115 HydrophobicContact CE-CG1 4.46Å; M90-I115 HydrophobicContact CE-CG2 3.99Å; M90-I115 HydrophobicContact SD-CD1 4.07Å
91K64.4Low66.3Low112 Ų112107.8 Ų107.849%0.48751%0.514SS..Hα-helixtrans-65.6-41.2178.4-167.8175.1-176.6-176.40112.2F87 H88 W94 L95F87-K91 HydrophobicContact CE1-CD 4.08Å; F87-K91 VanDerWaalsContact O-CB 3.28Å; F87-K91 WeakPolarHBondContact O-CB 3.12Å; F87-K91 PolarHBondContact O-N 2.7Å; H88-K91 PolarHBondContact O-N 2.86Å; K91-W94 PolarHBondContact O-N 2.71Å; K91-L95 HydrophobicContact CD-CD1 4.39Å; K91-L95 HydrophobicContact CG-CD1 3.49Å; K91-L95 VanDerWaalsContact CG-CD1 3.49Å; K91-L95 VanDerWaalsContact O-CD1 3.26Å; K91-L95 WeakPolarHBondContact O-CD1 3.47Å; K91-L95 PolarHBondContact O-N 2.93Å
92A69.4Low66Low65 Ų65106.3 Ų106.354%0.53752%0.519SS..Hα-helixtrans-69.8-37.2179.500000112.8H88 W94H88-A92 WeakPolarHBondContact O-CB 3.31Å; H88-A92 PolarHBondContact O-N 3.13Å; A92-W94 VanDerWaalsContact C-N 3.3Å
93S64.5Low65.8Low68 Ų68107.8 Ų107.848%0.47653%0.531SS..Hα-helixtrans-70-30.4175.6-56.60000111.8W89W89-S93 WeakPolarHBondContact O-CB 3.46Å; W89-S93 PolarHBondContact O-N 2.93Å; W89-S93 PolarHBondContact O-OG 3.4Å
94W61.3Low65.9Low119 Ų119106.3 Ų106.345%0.45153%0.531SS..Hα-helixtrans-84.9-43.5-176.9-163.6-86.5000114M90 K91 A92 K96 S97 T104 V108M90-W94 VanDerWaalsContact O-CB 3.29Å; M90-W94 WeakPolarHBondContact O-CB 3.47Å; M90-W94 PolarHBondContact O-N 3.17Å; M90-W94 VanDerWaalsContact O-N 3.1Å; K91-W94 PolarHBondContact O-N 2.71Å; A92-W94 VanDerWaalsContact C-N 3.3Å; W94-K96 PolarHBondContact O-N 3.32Å; W94-K96 VanDerWaalsContact O-N 3.08Å; W94-S97 PolarHBondContact O-N 3.34Å; W94-T104 HydrophobicContact CZ2-CG2 3.8Å; W94-V108 HydrophobicContact CD2-CG2 3.82Å; W94-V108 HydrophobicContact CE3-CG2 4.42Å; W94-V108 HydrophobicContact CG-CG1 4.44Å; W94-V108 HydrophobicContact CG-CG2 4.28Å; W94-V108 HydrophobicContact CH2-CG2 4.13Å; W94-V108 HydrophobicContact CZ2-CG2 3.49Å; W94-V108 VanDerWaalsContact CZ2-CG2 3.49Å
95L57.8Low65.9Low120 Ų120104.7 Ų104.763%0.62853%0.528SS*.Hα-helixtrans-63.9-14.2177.3-94.4104.9000113.8K91 S97K91-L95 HydrophobicContact CD-CD1 4.39Å; K91-L95 HydrophobicContact CG-CD1 3.49Å; K91-L95 VanDerWaalsContact CG-CD1 3.49Å; K91-L95 VanDerWaalsContact O-CD1 3.26Å; K91-L95 WeakPolarHBondContact O-CD1 3.47Å; K91-L95 PolarHBondContact O-N 2.93Å; L95-S97 VanDerWaalsContact C-N 3.26Å
96K56.8Low65.9Low193 Ų193103 Ų10384%0.83953%0.528SS*.THydrogen-bonded Turntrans-76.7-13.2172.8-128.6176.8-177.1-177.70112.9W94W94-K96 PolarHBondContact O-N 3.32Å; W94-K96 VanDerWaalsContact O-N 3.08Å
97S53.5Low66.3Low82 Ų82106.2 Ų106.257%0.57354%0.542SS*.SBendtrans-123.597.2-176.8-163.60000110.6W94 L95W94-S97 PolarHBondContact O-N 3.34Å; L95-S97 VanDerWaalsContact C-N 3.26Å
98R51.6Low66.7Low229 Ų229104.5 Ų104.586%0.86454%0.536SS*.SBendtrans87.7149.7156-146.6156.2-178.3160.9-2118.9S100R98-S100 PolarHBondContact O-N 3.01Å
99Q53.4Low67Low189 Ų189101 Ų10188%0.88353%0.531SS*.PPolyproline II helixtrans-54.7116.1171.9-75.7-169.8-7.100110.2T101Q99-T101 PolarHBondContact O-N 2.96Å
100S58Low67.5Low65 Ų6597.8 Ų97.846%0.45553%0.525SS..PPolyproline II helixtrans-79.9117.7-170.8-42.20000111R98R98-S100 PolarHBondContact O-N 3.01Å
101T69.6Low68.3Low71 Ų7199.6 Ų99.644%0.43654%0.538SS..PPolyproline II helixtrans-82.8143.716550.50000109.2Q99 S103 T104 D105Q99-T101 PolarHBondContact O-N 2.96Å; T101-S103 PolarHBondContact O-N 3.46Å; T101-T104 PolarHBondContact O-N 3.39Å; T101-T104 PolarHBondContact OG1-OG1 3.25Å; T101-D105 PolarHBondContact O-N 2.73Å
102P73.1Confident69Low114 Ų11494.6 Ų94.674%0.7452%0.518SS*.Hα-helixtrans-55.6-28.5-178.5-28.134.6000114.8L106P102-L106 PolarHBondContact O-N 3.04Å
103S73.8Confident69.4Low76 Ų7692.7 Ų92.753%0.53151%0.505SS..Hα-helixtrans-71.4-37.117648.50000112.9T101 L106 I107T101-S103 PolarHBondContact O-N 3.46Å; S103-L106 PolarHBondContact O-N 3.33Å; S103-I107 WeakPolarHBondContact O-CG1 3.35Å; S103-I107 PolarHBondContact O-N 3.34Å
104T74.1Confident70.4Confident49 Ų4992.2 Ų92.230%0.30150%0.499SS..Hα-helixtrans-68.7-40.3176.3-61.10000111W94 T101 L106 I107 V108W94-T104 HydrophobicContact CZ2-CG2 3.8Å; T101-T104 PolarHBondContact O-N 3.39Å; T101-T104 PolarHBondContact OG1-OG1 3.25Å; T104-L106 VanDerWaalsContact C-N 3.29Å; T104-L106 PolarHBondContact O-N 3Å; T104-I107 PolarHBondContact O-N 2.88Å; T104-V108 HydrophobicContact CG2-CG2 4.41Å; T104-V108 VanDerWaalsContact O-CG2 3.22Å; T104-V108 WeakPolarHBondContact O-CG2 3.43Å; T104-V108 PolarHBondContact O-N 2.83Å
105D75.5Confident71.4Confident81 Ų8189.5 Ų89.543%0.43349%0.492SS..Hα-helixtrans-62.6-36.8176.5-69.5-22.6000112.4T101 G109T101-D105 PolarHBondContact O-N 2.73Å; D105-G109 PolarHBondContact O-N 3.39Å
106L79.3Confident72.6Confident112 Ų11285.7 Ų85.759%0.58647%0.473SS*.Hα-helixtrans-65.3-46.2176-173.2150.9000111.7P102 S103 T104 V108 G109 I110P102-L106 PolarHBondContact O-N 3.04Å; S103-L106 PolarHBondContact O-N 3.33Å; T104-L106 VanDerWaalsContact C-N 3.29Å; T104-L106 PolarHBondContact O-N 3Å; L106-V108 VanDerWaalsContact C-N 3.34Å; L106-V108 PolarHBondContact O-N 3.48Å; L106-G109 PolarHBondContact O-N 3.43Å; L106-I110 HydrophobicContact CD2-CD1 3.52Å; L106-I110 HydrophobicContact CD2-CG1 4.31Å; L106-I110 WeakPolarHBondContact O-CG1 3.49Å; L106-I110 PolarHBondContact O-N 2.64Å
107I79.9Confident73.9Confident104 Ų10477 Ų7753%0.53344%0.436SS..Hα-helixtrans-61.8-45.2178-66.8167.3000110.2S103 T104 G109 I110 V111S103-I107 WeakPolarHBondContact O-CG1 3.35Å; S103-I107 PolarHBondContact O-N 3.34Å; T104-I107 PolarHBondContact O-N 2.88Å; I107-G109 VanDerWaalsContact C-N 3.3Å; I107-G109 PolarHBondContact O-N 3.2Å; I107-I110 PolarHBondContact O-N 2.88Å; I107-I110 VanDerWaalsContact O-N 3.13Å; I107-V111 HydrophobicContact CG2-CG2 4.31Å; I107-V111 WeakPolarHBondContact O-CG2 3.31Å; I107-V111 PolarHBondContact O-N 3.43Å
108V76.4Confident75.4Confident27 Ų2776.8 Ų76.816%0.16443%0.428CS..Hα-helixtrans-60.7-42177.3173.30000111W94 T104 L106 I110 V111 A112W94-V108 HydrophobicContact CD2-CG2 3.82Å; W94-V108 HydrophobicContact CE3-CG2 4.42Å; W94-V108 HydrophobicContact CG-CG1 4.44Å; W94-V108 HydrophobicContact CG-CG2 4.28Å; W94-V108 HydrophobicContact CH2-CG2 4.13Å; W94-V108 HydrophobicContact CZ2-CG2 3.49Å; W94-V108 VanDerWaalsContact CZ2-CG2 3.49Å; T104-V108 HydrophobicContact CG2-CG2 4.41Å; T104-V108 VanDerWaalsContact O-CG2 3.22Å; T104-V108 WeakPolarHBondContact O-CG2 3.43Å; T104-V108 PolarHBondContact O-N 2.83Å; L106-V108 VanDerWaalsContact C-N 3.34Å; L106-V108 PolarHBondContact O-N 3.48Å; V108-I110 VanDerWaalsContact C-N 3.33Å; V108-I110 PolarHBondContact O-N 2.88Å; V108-V111 PolarHBondContact O-N 2.9Å; V108-A112 VanDerWaalsContact O-CB 3.22Å; V108-A112 WeakPolarHBondContact O-CB 3.46Å; V108-A112 PolarHBondContact O-N 3.35Å
109G77.4Confident77Confident41 Ų4169.6 Ų69.642%0.42341%0.406SS..Hα-helixtrans-58.8-42.9174.100000112.8D105 L106 I107 G113D105-G109 PolarHBondContact O-N 3.39Å; L106-G109 PolarHBondContact O-N 3.43Å; I107-G109 VanDerWaalsContact C-N 3.3Å; I107-G109 PolarHBondContact O-N 3.2Å; G109-G113 PolarHBondContact O-N 3.22Å
110I81.9Confident78.4Confident102 Ų10261.1 Ų61.152%0.52337%0.367SS..Hα-helixtrans-64.9-49.7176.2-67.7173.3000110.8L106 I107 V108 A112 G113 V114L106-I110 HydrophobicContact CD2-CD1 3.52Å; L106-I110 HydrophobicContact CD2-CG1 4.31Å; L106-I110 WeakPolarHBondContact O-CG1 3.49Å; L106-I110 PolarHBondContact O-N 2.64Å; I107-I110 PolarHBondContact O-N 2.88Å; I107-I110 VanDerWaalsContact O-N 3.13Å; V108-I110 VanDerWaalsContact C-N 3.33Å; V108-I110 PolarHBondContact O-N 2.88Å; I110-A112 VanDerWaalsContact C-N 3.34Å; I110-A112 PolarHBondContact O-N 3.45Å; I110-G113 PolarHBondContact O-N 3.3Å; I110-G113 VanDerWaalsContact O-N 3.14Å; I110-V114 HydrophobicContact CG2-CG2 4.47Å; I110-V114 WeakPolarHBondContact O-CG2 3.44Å; I110-V114 PolarHBondContact O-N 3.33Å
111V82.1Confident79.8Confident72 Ų7258 Ų5844%0.43635%0.346SS..Hα-helixtrans-60.9-44.4-179.9175.50000110.9I107 V108 G113 V114 I115I107-V111 HydrophobicContact CG2-CG2 4.31Å; I107-V111 WeakPolarHBondContact O-CG2 3.31Å; I107-V111 PolarHBondContact O-N 3.43Å; V108-V111 PolarHBondContact O-N 2.9Å; V111-G113 VanDerWaalsContact C-N 3.31Å; V111-G113 PolarHBondContact O-N 2.89Å; V111-V114 PolarHBondContact O-N 2.97Å; V111-I115 HydrophobicContact CG1-CD1 3.73Å; V111-I115 HydrophobicContact CG1-CG1 4.41Å; V111-I115 VanDerWaalsContact O-CG1 3.32Å; V111-I115 WeakPolarHBondContact O-CG1 3.14Å; V111-I115 PolarHBondContact O-N 3.43Å
112A79.4Confident80.6Confident7 Ų755.3 Ų55.36%0.05833%0.329CS..Hα-helixtrans-60.4-40.9175.200000112F87 M90 V108 I110 N116F87-A112 HydrophobicContact CD2-CB 4.11Å; F87-A112 HydrophobicContact CE2-CB 4.13Å; M90-A112 HydrophobicContact CE-CB 4.21Å; M90-A112 HydrophobicContact SD-CB 3.57Å; M90-A112 VanDerWaalsContact SD-CB 3.57Å; V108-A112 VanDerWaalsContact O-CB 3.22Å; V108-A112 WeakPolarHBondContact O-CB 3.46Å; V108-A112 PolarHBondContact O-N 3.35Å; I110-A112 VanDerWaalsContact C-N 3.34Å; I110-A112 PolarHBondContact O-N 3.45Å; A112-N116 VanDerWaalsContact O-CB 3.32Å; A112-N116 WeakPolarHBondContact O-CB 3.34Å; A112-N116 PolarHBondContact O-N 3.02Å
113G78.9Confident81.2Confident26 Ų2651.9 Ų51.927%0.26831%0.305SS..Hα-helixtrans-62.2-45.3175.200000112.9G109 I110 V111 N116 V117G109-G113 PolarHBondContact O-N 3.22Å; I110-G113 PolarHBondContact O-N 3.3Å; I110-G113 VanDerWaalsContact O-N 3.14Å; V111-G113 VanDerWaalsContact C-N 3.31Å; V111-G113 PolarHBondContact O-N 2.89Å; G113-N116 PolarHBondContact O-N 2.92Å; G113-V117 WeakPolarHBondContact O-CG2 3.47Å; G113-V117 PolarHBondContact O-N 2.66Å
114V84.5Confident81.7Confident58 Ų5852.2 Ų52.235%0.35229%0.294SS..Hα-helixtrans-63.3-47.9177.4172.90000110.9I110 V111 N116 V117 L118 L174I110-V114 HydrophobicContact CG2-CG2 4.47Å; I110-V114 WeakPolarHBondContact O-CG2 3.44Å; I110-V114 PolarHBondContact O-N 3.33Å; V111-V114 PolarHBondContact O-N 2.97Å; V114-N116 VanDerWaalsContact C-N 3.3Å; V114-N116 PolarHBondContact O-N 3.23Å; V114-V117 PolarHBondContact O-N 3.04Å; V114-L118 HydrophobicContact CG1-CD1 4.07Å; V114-L118 HydrophobicContact CG1-CG 4.44Å; V114-L118 WeakPolarHBondContact O-CG 3.33Å; V114-L118 PolarHBondContact O-N 3.26Å; V114-L174 HydrophobicContact CG2-CD2 4.19Å
115I83.4Confident82.3Confident61 Ų6149.9 Ų49.931%0.31328%0.28SS..Hα-helixtrans-59.5-44177.7-68.5168.1000110.4M90 V111 V117 L118 L119M90-I115 HydrophobicContact CE-CB 4.11Å; M90-I115 HydrophobicContact CE-CD1 3.6Å; M90-I115 HydrophobicContact CE-CG1 4.46Å; M90-I115 HydrophobicContact CE-CG2 3.99Å; M90-I115 HydrophobicContact SD-CD1 4.07Å; V111-I115 HydrophobicContact CG1-CD1 3.73Å; V111-I115 HydrophobicContact CG1-CG1 4.41Å; V111-I115 VanDerWaalsContact O-CG1 3.32Å; V111-I115 WeakPolarHBondContact O-CG1 3.14Å; V111-I115 PolarHBondContact O-N 3.43Å; I115-V117 PolarHBondContact O-N 3.42Å; I115-L118 PolarHBondContact O-N 2.96Å; I115-L119 HydrophobicContact CG2-CD1 3.85Å; I115-L119 HydrophobicContact CG2-CG 4.34Å; I115-L119 WeakPolarHBondContact O-CG 3.46Å; I115-L119 PolarHBondContact O-N 3.47Å
116N83.1Confident82.8Confident40 Ų4046.1 Ų46.121%0.21426%0.26CS..Hα-helixtrans-58.7-47.1176173.849.5000112.2Y83 A112 G113 V114 L118 L119 T120Y83-N116 HydrophobicContact CD2-CB 4.01Å; Y83-N116 WeakPolarHBondContact CD2-OD1 3.27Å; Y83-N116 HydrophobicContact CE2-CB 4.24Å; A112-N116 VanDerWaalsContact O-CB 3.32Å; A112-N116 WeakPolarHBondContact O-CB 3.34Å; A112-N116 PolarHBondContact O-N 3.02Å; G113-N116 PolarHBondContact O-N 2.92Å; V114-N116 VanDerWaalsContact C-N 3.3Å; V114-N116 PolarHBondContact O-N 3.23Å; N116-L118 VanDerWaalsContact C-N 3.31Å; N116-L118 PolarHBondContact O-N 3.43Å; N116-L119 PolarHBondContact O-N 3.29Å; N116-T120 WeakPolarHBondContact O-CB 3.2Å; N116-T120 WeakPolarHBondContact O-CG2 3.43Å; N116-T120 PolarHBondContact O-N 2.67Å; N116-T120 PolarHBondContact O-OG1 2.8Å; N116-T120 VanDerWaalsContact OD1-CG2 3.31Å; N116-T120 WeakPolarHBondContact OD1-CG2 3.12Å
117V83.7Confident83.1Confident12 Ų1241 Ų417%0.07323%0.233CC..Hα-helixtrans-61.7-42.4178172.80000110.4G113 V114 I115 L119 T120 T121 T170 L174 V177G113-V117 WeakPolarHBondContact O-CG2 3.47Å; G113-V117 PolarHBondContact O-N 2.66Å; V114-V117 PolarHBondContact O-N 3.04Å; I115-V117 PolarHBondContact O-N 3.42Å; V117-L119 PolarHBondContact O-N 2.77Å; V117-T120 PolarHBondContact O-N 3.34Å; V117-T121 VanDerWaalsContact O-CB 3.29Å; V117-T121 WeakPolarHBondContact O-CB 3.23Å; V117-T121 PolarHBondContact O-N 3.39Å; V117-T121 PolarHBondContact O-OG1 2.91Å; V117-T170 HydrophobicContact CG1-CG2 4.12Å; V117-L174 HydrophobicContact CB-CD2 3.88Å; V117-L174 HydrophobicContact CG1-CD2 3.87Å; V117-L174 HydrophobicContact CG1-CG 4.1Å; V117-L174 HydrophobicContact CG2-CD2 4.05Å; V117-V177 HydrophobicContact CG2-CG2 4.3Å
118L85.4Confident83.4Confident77 Ų7736.4 Ų36.440%0.40321%0.21SC..Hα-helixtrans-63.6-38.7178.3-69.9175000113.2V114 I115 N116 P122 W167 T170V114-L118 HydrophobicContact CG1-CD1 4.07Å; V114-L118 HydrophobicContact CG1-CG 4.44Å; V114-L118 WeakPolarHBondContact O-CG 3.33Å; V114-L118 PolarHBondContact O-N 3.26Å; I115-L118 PolarHBondContact O-N 2.96Å; N116-L118 VanDerWaalsContact C-N 3.31Å; N116-L118 PolarHBondContact O-N 3.43Å; L118-P122 WeakPolarHBondContact O-CD 3.31Å; L118-W167 PolarHBondContact O-NE1 2.89Å; L118-T170 HydrophobicContact CD2-CG2 4Å
119L84.4Confident83.8Confident78 Ų7835.2 Ų35.241%0.40820%0.203SC..Hα-helixtrans-74.5-36.8178.7-70.5174.3000112.8V82 C86 I115 N116 V117V82-L119 HydrophobicContact CG1-CB 4.28Å; V82-L119 HydrophobicContact CG1-CD1 4.33Å; C86-L119 HydrophobicContact CB-CD1 4.14Å; I115-L119 HydrophobicContact CG2-CD1 3.85Å; I115-L119 HydrophobicContact CG2-CG 4.34Å; I115-L119 WeakPolarHBondContact O-CG 3.46Å; I115-L119 PolarHBondContact O-N 3.47Å; N116-L119 PolarHBondContact O-N 3.29Å; V117-L119 PolarHBondContact O-N 2.77Å
120T83.3Confident84.1Confident10 Ų1033.7 Ų33.76%0.06119%0.185CC..Hα-helixtrans-88.8-23.7-174.558.10000113.3S79 N116 V117 L123 W124S79-T120 WeakPolarHBondContact OG-CG2 3.5Å; N116-T120 WeakPolarHBondContact O-CB 3.2Å; N116-T120 WeakPolarHBondContact O-CG2 3.43Å; N116-T120 PolarHBondContact O-N 2.67Å; N116-T120 PolarHBondContact O-OG1 2.8Å; N116-T120 VanDerWaalsContact OD1-CG2 3.31Å; N116-T120 WeakPolarHBondContact OD1-CG2 3.12Å; V117-T120 PolarHBondContact O-N 3.34Å; T120-L123 WeakPolarHBondContact O-CB 3.35Å; T120-L123 PolarHBondContact O-N 2.89Å; T120-L123 VanDerWaalsContact O-N 3.15Å; T120-W124 PolarHBondContact O-N 3.45Å
121T86.4Confident84.1Confident1 Ų129.6 Ų29.61%0.00616%0.163CC..Hα-helixtrans-57.3-43.7-177.1-610000113.7V117 L123 W124 V125 L166 T170V117-T121 VanDerWaalsContact O-CB 3.29Å; V117-T121 WeakPolarHBondContact O-CB 3.23Å; V117-T121 PolarHBondContact O-N 3.39Å; V117-T121 PolarHBondContact O-OG1 2.91Å; T121-L123 VanDerWaalsContact C-N 3.31Å; T121-L123 PolarHBondContact O-N 3.49Å; T121-W124 WeakPolarHBondContact O-CB 3.24Å; T121-W124 PolarHBondContact O-N 3.18Å; T121-W124 VanDerWaalsContact O-N 3.07Å; T121-V125 HydrophobicContact CG2-CG2 4.23Å; T121-V125 WeakPolarHBondContact O-CG2 3.08Å; T121-V125 PolarHBondContact O-N 3.48Å; T121-L166 CarbonylContact C-O 3.55Å; T121-T170 WeakPolarHBondContact CG2-OG1 3.28Å
122P86.5Confident84.1Confident14 Ų1426.2 Ų26.29%0.09114%0.143CC..Hα-helixtrans-55.4-42.8175.3-29.137.2000113.8L118 V125 V126 F154 L166 W167L118-P122 WeakPolarHBondContact O-CD 3.31Å; P122-V125 PolarHBondContact O-N 3.49Å; P122-V126 WeakPolarHBondContact O-CG2 3.29Å; P122-V126 PolarHBondContact O-N 3.31Å; P122-V126 VanDerWaalsContact O-N 3.1Å; P122-F154 HydrophobicContact CB-CE2 4.31Å; P122-L166 VanDerWaalsContact CA-O 3.29Å; P122-L166 WeakPolarHBondContact CA-O 3.03Å; P122-L166 HydrophobicContact CB-CB 4.02Å; P122-L166 HydrophobicContact CB-CD2 4.41Å; P122-L166 HydrophobicContact CG-CB 4.21Å; P122-W167 HydrophobicContact CG-CD2 4.28Å; P122-W167 HydrophobicContact CG-CH2 4.3Å; P122-W167 HydrophobicContact CG-CZ2 3.78Å
123L86Confident84Confident42 Ų4227 Ų2722%0.2215%0.145CC..Hα-helixtrans-64.6-41.3176.7-66.8175.3000111.2T120 T121 V126 N127T120-L123 WeakPolarHBondContact O-CB 3.35Å; T120-L123 PolarHBondContact O-N 2.89Å; T120-L123 VanDerWaalsContact O-N 3.15Å; T121-L123 VanDerWaalsContact C-N 3.31Å; T121-L123 PolarHBondContact O-N 3.49Å; L123-V126 PolarHBondContact O-N 3.46Å; L123-N127 WeakPolarHBondContact O-CB 3.4Å; L123-N127 PolarHBondContact O-N 2.86Å; L123-N127 PolarHBondContact O-ND2 3Å; L123-N127 PolarHBondContact O-OD1 2.81Å
124W84.8Confident83.5Confident83 Ų8327.3 Ų27.331%0.31415%0.148SC..Hα-helixtrans-65.8-37.2176.7-79.9107.2000113.4T120 T121 N127 T128T120-W124 PolarHBondContact O-N 3.45Å; T121-W124 WeakPolarHBondContact O-CB 3.24Å; T121-W124 PolarHBondContact O-N 3.18Å; T121-W124 VanDerWaalsContact O-N 3.07Å; W124-N127 PolarHBondContact O-N 3.41Å; W124-T128 PolarHBondContact O-N 2.79Å; W124-T128 PolarHBondContact O-OG1 2.74Å; W124-T128 VanDerWaalsContact O-OG1 3.1Å
125V86.3Confident83Confident0 Ų025.1 Ų25.10%014%0.135CC..Hα-helixtrans-63.2-49.1175167.90000110.3T121 P122 N127 T128 R129 I157 L166 N168 R233T121-V125 HydrophobicContact CG2-CG2 4.23Å; T121-V125 WeakPolarHBondContact O-CG2 3.08Å; T121-V125 PolarHBondContact O-N 3.48Å; P122-V125 PolarHBondContact O-N 3.49Å; V125-N127 VanDerWaalsContact C-N 3.33Å; V125-N127 PolarHBondContact O-N 2.85Å; V125-T128 PolarHBondContact O-N 3.07Å; V125-R129 WeakPolarHBondContact O-CG 3.36Å; V125-R129 PolarHBondContact O-N 3.49Å; V125-R129 VanDerWaalsContact O-N 3.08Å; V125-I157 HydrophobicContact CG1-CD1 4.46Å; V125-L166 VanDerWaalsContact CG2-O 3.27Å; V125-L166 WeakPolarHBondContact CG2-O 3.18Å; V125-N168 WeakPolarHBondContact CG2-O 3.22Å; V125-R233 HydrophobicContact CG2-CB 4.26Å; V125-R233 HydrophobicContact CG2-CG 3.99Å
126V86.4Confident82.1Confident1 Ų128 Ų281%0.00615%0.145CC..Hα-helixtrans-59.2-44.7176.9172.50000111P122 L123 T128 R129 L130 I150 A153 F154 I157 L166P122-V126 WeakPolarHBondContact O-CG2 3.29Å; P122-V126 PolarHBondContact O-N 3.31Å; P122-V126 VanDerWaalsContact O-N 3.1Å; L123-V126 PolarHBondContact O-N 3.46Å; V126-T128 PolarHBondContact O-N 3.46Å; V126-R129 PolarHBondContact O-N 3.17Å; V126-L130 HydrophobicContact CG1-CD1 3.68Å; V126-L130 HydrophobicContact CG1-CG 4.25Å; V126-L130 WeakPolarHBondContact O-CB 3.32Å; V126-L130 WeakPolarHBondContact O-CG 3.39Å; V126-L130 PolarHBondContact O-N 3.35Å; V126-I150 HydrophobicContact CG1-CG2 3.97Å; V126-A153 HydrophobicContact CG1-CB 3.77Å; V126-F154 HydrophobicContact CG2-CB 4.42Å; V126-F154 HydrophobicContact CG2-CD2 4.16Å; V126-I157 HydrophobicContact CG2-CD1 3.88Å; V126-L166 HydrophobicContact CG2-CD2 4.34Å
127N85.6Confident81.6Confident5 Ų528.1 Ų28.13%0.02714%0.144CC..Hα-helixtrans-59.8-48.5177.9-72.6-16.8000112.8S75 L123 W124 V125 R129 L130 K131S75-N127 WeakPolarHBondContact CB-ND2 3.32Å; S75-N127 WeakPolarHBondContact CB-OD1 3.27Å; S75-N127 PolarHBondContact OG-ND2 2.62Å; S75-N127 PolarHBondContact OG-OD1 2.8Å; L123-N127 WeakPolarHBondContact O-CB 3.4Å; L123-N127 PolarHBondContact O-N 2.86Å; L123-N127 PolarHBondContact O-ND2 3Å; L123-N127 PolarHBondContact O-OD1 2.81Å; W124-N127 PolarHBondContact O-N 3.41Å; V125-N127 VanDerWaalsContact C-N 3.33Å; V125-N127 PolarHBondContact O-N 2.85Å; N127-R129 VanDerWaalsContact C-N 3.27Å; N127-R129 PolarHBondContact O-N 3.03Å; N127-L130 PolarHBondContact O-N 3.43Å; N127-K131 WeakPolarHBondContact O-CB 3.31Å; N127-K131 VanDerWaalsContact O-CG 3.32Å; N127-K131 WeakPolarHBondContact O-CG 3.36Å; N127-K131 PolarHBondContact O-N 3.24Å
128T84.9Confident80.5Confident8 Ų832.2 Ų32.25%0.04916%0.162CC..Hα-helixtrans-60.3-40.5179.7-65.60000110.8W124 V125 V126 L132 R233 F234W124-T128 PolarHBondContact O-N 2.79Å; W124-T128 PolarHBondContact O-OG1 2.74Å; W124-T128 VanDerWaalsContact O-OG1 3.1Å; V125-T128 PolarHBondContact O-N 3.07Å; V126-T128 PolarHBondContact O-N 3.46Å; T128-L132 HydrophobicContact CG2-CD1 3.84Å; T128-L132 WeakPolarHBondContact O-CB 3.34Å; T128-L132 WeakPolarHBondContact O-CG 3.33Å; T128-L132 PolarHBondContact O-N 3.46Å; T128-L132 VanDerWaalsContact O-N 3.15Å; T128-R233 HydrophobicContact CG2-CB 4.09Å; T128-F234 HydrophobicContact CG2-CB 4.35Å
129R86.1Confident79.3Confident2 Ų230 Ų301%0.00815%0.15CC..Hα-helixtrans-69.6-42.2178.7-70.5173.3-178.9-130.47112.9V125 V126 N127 L132 Q133 Y147 E161 R233 F234V125-R129 WeakPolarHBondContact O-CG 3.36Å; V125-R129 PolarHBondContact O-N 3.49Å; V125-R129 VanDerWaalsContact O-N 3.08Å; V126-R129 PolarHBondContact O-N 3.17Å; N127-R129 VanDerWaalsContact C-N 3.27Å; N127-R129 PolarHBondContact O-N 3.03Å; R129-L132 PolarHBondContact O-N 2.99Å; R129-Q133 PolarHBondContact O-N 3.38Å; R129-Y147 HydrophobicContact CB-CE2 4.05Å; R129-E161 IonicContact CZ-OE1 3.94Å; R129-E161 IonicContact CZ-OE2 3.7Å; R129-E161 VanDerWaalsContact CZ-OE2 3.24Å; R129-E161 IonicContact NH1-OE1 3.37Å; R129-E161 PolarHBondContact NH1-OE1 2.99Å; R129-E161 IonicContact NH1-OE2 2.68Å; R129-E161 PolarHBondContact NH1-OE2 3.39Å; R129-E161 IonicContact NH2-OE1 3.74Å; R129-E161 IonicContact NH2-OE2 3.85Å; R129-E161 PolarHBondContact NH2-OE2 2.93Å; R129-R233 PolarHBondContact NE-O 3.1Å; R129-F234 HydrophobicContact CG-CD2 4.49Å; R129-F234 PolarHBondContact NE-O 3Å
130L84Confident77.9Confident9 Ų931.7 Ų31.75%0.04717%0.169CC..Hα-helixtrans-64.8-37.3175.5-73172.2000112.6P71 V126 N127 L132 Q133 Y147 I150 A153P71-L130 HydrophobicContact CB-CD1 3.81Å; P71-L130 HydrophobicContact CG-CD1 4.45Å; V126-L130 HydrophobicContact CG1-CD1 3.68Å; V126-L130 HydrophobicContact CG1-CG 4.25Å; V126-L130 WeakPolarHBondContact O-CB 3.32Å; V126-L130 WeakPolarHBondContact O-CG 3.39Å; V126-L130 PolarHBondContact O-N 3.35Å; N127-L130 PolarHBondContact O-N 3.43Å; L130-L132 VanDerWaalsContact C-N 3.32Å; L130-Q133 WeakPolarHBondContact O-CB 3.31Å; L130-Y147 HydrophobicContact CD2-CD2 3.94Å; L130-Y147 HydrophobicContact CD2-CG 4.1Å; L130-I150 HydrophobicContact CD1-CB 4.42Å; L130-I150 HydrophobicContact CD1-CG1 3.79Å; L130-A153 HydrophobicContact CD1-CB 4.43Å; L130-A153 HydrophobicContact CD2-CB 4.07Å; L130-A153 HydrophobicContact CG-CB 4.21Å
131K81.7Confident76.8Confident15 Ų1535.9 Ų35.97%0.06519%0.191CC..Hα-helixtrans-63.3-38.6173.9-77.1-177.2-176.2-174.80112.6D32 L36 V72 N127D32-K131 IonicContact OD2-NZ 3.54Å; D32-K131 PolarHBondContact OD2-NZ 2.94Å; L36-K131 HydrophobicContact CD1-CB 4.46Å; L36-K131 HydrophobicContact CD1-CD 3.43Å; L36-K131 VanDerWaalsContact CD1-CD 3.43Å; V72-K131 VanDerWaalsContact CG1-CE 3.43Å; V72-K131 HydrophobicContact CG2-CD 3.82Å; V72-K131 HydrophobicContact CG2-CG 3.43Å; V72-K131 VanDerWaalsContact CG2-CG 3.43Å; N127-K131 WeakPolarHBondContact O-CB 3.31Å; N127-K131 VanDerWaalsContact O-CG 3.32Å; N127-K131 WeakPolarHBondContact O-CG 3.36Å; N127-K131 PolarHBondContact O-N 3.24Å
132L81.8Confident75.9Confident2 Ų236.9 Ų36.91%0.0120%0.196CC..Hα-helixtrans-88.7-13.5-175.3-73.2174.2000112.7L36 R37 V40 T128 R129 L130 G134 S135 F137 F234L36-L132 HydrophobicContact CB-CD2 4.29Å; R37-L132 HydrophobicContact CG-CD2 4.11Å; V40-L132 HydrophobicContact CB-CD1 4.22Å; V40-L132 HydrophobicContact CG1-CD1 4.24Å; V40-L132 HydrophobicContact CG2-CD1 3.72Å; T128-L132 HydrophobicContact CG2-CD1 3.84Å; T128-L132 WeakPolarHBondContact O-CB 3.34Å; T128-L132 WeakPolarHBondContact O-CG 3.33Å; T128-L132 PolarHBondContact O-N 3.46Å; T128-L132 VanDerWaalsContact O-N 3.15Å; R129-L132 PolarHBondContact O-N 2.99Å; L130-L132 VanDerWaalsContact C-N 3.32Å; L132-G134 PolarHBondContact O-N 3.4Å; L132-S135 VanDerWaalsContact O-CB 3.29Å; L132-S135 WeakPolarHBondContact O-CB 3.46Å; L132-S135 PolarHBondContact O-N 2.92Å; L132-S135 PolarHBondContact O-OG 3.19Å; L132-F137 HydrophobicContact CB-CZ 3.95Å; L132-F137 HydrophobicContact CD2-CE1 4.24Å; L132-F137 HydrophobicContact CD2-CZ 4.01Å; L132-F137 HydrophobicContact CG-CZ 4.46Å; L132-F137 WeakPolarHBondContact O-CE2 3.48Å; L132-F234 HydrophobicContact CB-CD2 3.82Å; L132-F234 HydrophobicContact CB-CE2 3.61Å; L132-F234 HydrophobicContact CD1-CB 4.05Å; L132-F234 HydrophobicContact CD1-CD2 3.36Å; L132-F234 HydrophobicContact CD1-CE2 3.94Å; L132-F234 HydrophobicContact CD1-CG 3.81Å; L132-F234 HydrophobicContact CG-CD2 4.24Å; L132-F234 HydrophobicContact CG-CE2 4.42Å
133Q77.2Confident74.8Confident24 Ų2445.9 Ų45.911%0.11223%0.228CC..THydrogen-bonded Turntrans-54.4133.8176.6-171.6-173.2-30.500112R67 R129 L130 S135 T145 N146 Y147R67-Q133 VanDerWaalsContact CD-O 3.3Å; R67-Q133 WeakPolarHBondContact CD-O 3.27Å; R67-Q133 PolarHBondContact NE-O 2.96Å; R129-Q133 PolarHBondContact O-N 3.38Å; L130-Q133 WeakPolarHBondContact O-CB 3.31Å; Q133-S135 PolarHBondContact O-N 3.1Å; Q133-S135 VanDerWaalsContact O-N 3.15Å; Q133-T145 WeakPolarHBondContact CG-O 3.29Å; Q133-N146 PolarHBondContact NE2-OD1 3.39Å; Q133-N146 VanDerWaalsContact NE2-OD1 3.11Å; Q133-Y147 HydrophobicContact CB-CD2 4.5Å; Q133-Y147 VanDerWaalsContact CD-N 3.3Å; Q133-Y147 HydrophobicContact CG-CD2 4.27Å; Q133-Y147 PolarHBondContact NE2-O 3.43Å; Q133-Y147 VanDerWaalsContact OE1-CD2 3.29Å; Q133-Y147 PolarHBondContact OE1-O 2.8Å
134G69Low73.8Confident31 Ų3149.8 Ų49.832%0.3226%0.256SS..THydrogen-bonded Turntrans68.85.6177.500000114.9R67 L132R67-G134 VanDerWaalsContact NH1-C 3.3Å; R67-G134 PolarHBondContact NH1-O 2.63Å; L132-G134 PolarHBondContact O-N 3.4Å
135S72.8Confident73.1Confident12 Ų1247.2 Ų47.28%0.08425%0.249CC..  trans-71138.6168.4-52.30000109.2R37 E60 L132 Q133 F137R37-S135 VanDerWaalsContact CZ-OG 3.29Å; R37-S135 PolarHBondContact NE-OG 3.34Å; R37-S135 PolarHBondContact NH2-OG 2.99Å; R37-S135 VanDerWaalsContact NH2-OG 3.14Å; E60-S135 WeakPolarHBondContact OE1-CA 3.46Å; L132-S135 VanDerWaalsContact O-CB 3.29Å; L132-S135 WeakPolarHBondContact O-CB 3.46Å; L132-S135 PolarHBondContact O-N 2.92Å; L132-S135 PolarHBondContact O-OG 3.19Å; Q133-S135 PolarHBondContact O-N 3.1Å; Q133-S135 VanDerWaalsContact O-N 3.15Å; S135-F137 WeakPolarHBondContact O-CD2 3.37Å; S135-F137 WeakPolarHBondContact O-CE2 3.41Å; S135-F137 PolarHBondContact O-N 3.08Å
136K65.6Low72.6Confident123 Ų12353.3 Ų53.354%0.53528%0.282SS..  trans-78.4105172.2-71.6179.1178.2170.60108.6E59 E60E59-K136 HydrophobicContact CB-CD 4.37Å; E59-K136 PolarHBondContact O-NZ 2.89Å; E60-K136 HydrophobicContact CG-CD 4.27Å; E60-K136 HydrophobicContact CG-CG 4.27Å; E60-K136 PolarHBondContact OE1-N 3.27Å
137F72.3Confident72.3Confident42 Ų4253.9 Ų53.918%0.18428%0.284CS..  trans-89.1138.2176.3-65.1-79.5000110.3V40 D41 L132 S135 N139 I142 F234V40-F137 HydrophobicContact CG1-CE1 4.11Å; D41-F137 HydrophobicContact CB-CD1 4.02Å; L132-F137 HydrophobicContact CB-CZ 3.95Å; L132-F137 HydrophobicContact CD2-CE1 4.24Å; L132-F137 HydrophobicContact CD2-CZ 4.01Å; L132-F137 HydrophobicContact CG-CZ 4.46Å; L132-F137 WeakPolarHBondContact O-CE2 3.48Å; S135-F137 WeakPolarHBondContact O-CD2 3.37Å; S135-F137 WeakPolarHBondContact O-CE2 3.41Å; S135-F137 PolarHBondContact O-N 3.08Å; F137-N139 PolarHBondContact O-N 3.48Å; F137-I142 HydrophobicContact CB-CB 4Å; F137-I142 HydrophobicContact CB-CD1 3.92Å; F137-I142 HydrophobicContact CB-CG2 3.94Å; F137-I142 HydrophobicContact CD1-CD1 3.7Å; F137-I142 HydrophobicContact CD1-CG2 4.34Å; F137-I142 HydrophobicContact CD2-CB 4.31Å; F137-I142 HydrophobicContact CD2-CG2 3.32Å; F137-I142 HydrophobicContact CE1-CD1 4.37Å; F137-I142 HydrophobicContact CE2-CG2 3.85Å; F137-I142 HydrophobicContact CG-CB 4.17Å; F137-I142 HydrophobicContact CG-CD1 3.79Å; F137-I142 HydrophobicContact CG-CG2 3.6Å; F137-F234 HydrophobicContact CE2-CZ 4.03Å; F137-F234 HydrophobicContact CZ-CE2 4.31Å; F137-F234 AromaticContact CZ-CZ 3.98Å; F137-F234 HydrophobicContact CZ-CZ 3.98Å
138H61.1Low71.8Confident98 Ų9859.2 Ų59.245%0.45432%0.322SS..SBendtrans-86.68.9174.1-66.176.7000112.5D41 N43 E59D41-H138 IonicContact OD2-CG 3.15Å; D41-H138 PolarHBondContact OD2-N 2.86Å; D41-H138 IonicContact OD2-ND1 2.7Å; D41-H138 PolarHBondContact OD2-ND1 3.27Å; N43-H138 HydrophobicContact CB-CB 4.26Å; E59-H138 IonicContact OE1-CE1 3.93Å; E59-H138 IonicContact OE2-CE1 2.8Å
139N59.9Low71.6Confident29 Ų2960 Ų6016%0.15533%0.332CS..  trans-103116.6176.7-163.9-6.5000109.1F137 D141 I142F137-N139 PolarHBondContact O-N 3.48Å; N139-D141 PolarHBondContact O-N 2.95Å; N139-D141 VanDerWaalsContact O-N 3.13Å; N139-I142 HydrophobicContact CB-CD1 3.8Å; N139-I142 HydrophobicContact CB-CG1 3.99Å; N139-I142 PolarHBondContact O-N 3.48Å; N139-I142 VanDerWaalsContact O-N 3.16Å
140S54.8Low71.5Confident114 Ų11462 Ų6280%0.79734%0.342SS*.THydrogen-bonded Turntrans-61.2-19.9-177.347.60000113.6I142S140-I142 VanDerWaalsContact C-N 3.33Å
141D60.6Low71.6Confident98 Ų9868.8 Ų68.852%0.52438%0.378SS..THydrogen-bonded Turntrans-82.5-12.9-177.9-57.8-24.2000112.8N139N139-D141 PolarHBondContact O-N 2.95Å; N139-D141 VanDerWaalsContact O-N 3.13Å
142I65.6Low71.8Confident22 Ų2270.7 Ų70.711%0.11339%0.389CS..  trans-88.8113.8-176.5-63.6-178.9000109.7V40 F137 N139 S140 F234 Q236V40-I142 HydrophobicContact CG1-CD1 4.28Å; F137-I142 HydrophobicContact CB-CB 4Å; F137-I142 HydrophobicContact CB-CD1 3.92Å; F137-I142 HydrophobicContact CB-CG2 3.94Å; F137-I142 HydrophobicContact CD1-CD1 3.7Å; F137-I142 HydrophobicContact CD1-CG2 4.34Å; F137-I142 HydrophobicContact CD2-CB 4.31Å; F137-I142 HydrophobicContact CD2-CG2 3.32Å; F137-I142 HydrophobicContact CE1-CD1 4.37Å; F137-I142 HydrophobicContact CE2-CG2 3.85Å; F137-I142 HydrophobicContact CG-CB 4.17Å; F137-I142 HydrophobicContact CG-CD1 3.79Å; F137-I142 HydrophobicContact CG-CG2 3.6Å; N139-I142 HydrophobicContact CB-CD1 3.8Å; N139-I142 HydrophobicContact CB-CG1 3.99Å; N139-I142 PolarHBondContact O-N 3.48Å; N139-I142 VanDerWaalsContact O-N 3.16Å; S140-I142 VanDerWaalsContact C-N 3.33Å; I142-F234 HydrophobicContact CD1-CE1 3.98Å; I142-F234 HydrophobicContact CG1-CE1 4.14Å; I142-F234 HydrophobicContact CG2-CE1 3.7Å; I142-F234 HydrophobicContact CG2-CZ 3.65Å; I142-Q236 VanDerWaalsContact CA-OE1 3.32Å
143R64.4Low71.9Confident203 Ų20370.6 Ų70.677%0.76639%0.388SS*.PPolyproline II helixtrans-84.4131.2178.4-65.9-173.7-179.5-171.50.2110.8T145 Q236R143-T145 PolarHBondContact O-N 2.87Å; R143-Q236 PolarHBondContact O-NE2 2.97Å; R143-Q236 PolarHBondContact O-OE1 3.28Å; R143-Q236 VanDerWaalsContact O-OE1 3.12Å
144P65.3Low72.4Confident124 Ų12473.9 Ų73.981%0.80540%0.402SS*.PPolyproline II helixtrans-61127.717425.2-32000109.4
145T69.9Low73.3Confident29 Ų2979.4 Ų79.418%0.17842%0.418CS..PPolyproline II helixtrans-103.4149174.2450000109.4Q133 R143 Y147Q133-T145 WeakPolarHBondContact CG-O 3.29Å; R143-T145 PolarHBondContact O-N 2.87Å; T145-Y147 HydrophobicContact CG2-CE2 4.21Å; T145-Y147 WeakPolarHBondContact CG2-OH 3.32Å; T145-Y147 WeakPolarHBondContact OG1-CE2 3.43Å
146N76.6Confident74Confident128 Ų12880.5 Ų80.568%0.68442%0.421SS*.  trans-129.4107.5172.8-163.625000108.9Q133 Q156Q133-N146 PolarHBondContact NE2-OD1 3.39Å; Q133-N146 VanDerWaalsContact NE2-OD1 3.11Å; N146-Q156 PolarHBondContact O-NE2 3.4Å
147Y80.1Confident74.9Confident13 Ų1374.6 Ų74.65%0.05140%0.396CS..  trans-110.4135.1174-49.7-68.6000108.7R129 L130 Q133 T145 G149 D152 A153 Q156R129-Y147 HydrophobicContact CB-CE2 4.05Å; L130-Y147 HydrophobicContact CD2-CD2 3.94Å; L130-Y147 HydrophobicContact CD2-CG 4.1Å; Q133-Y147 HydrophobicContact CB-CD2 4.5Å; Q133-Y147 VanDerWaalsContact CD-N 3.3Å; Q133-Y147 HydrophobicContact CG-CD2 4.27Å; Q133-Y147 PolarHBondContact NE2-O 3.43Å; Q133-Y147 VanDerWaalsContact OE1-CD2 3.29Å; Q133-Y147 PolarHBondContact OE1-O 2.8Å; T145-Y147 HydrophobicContact CG2-CE2 4.21Å; T145-Y147 WeakPolarHBondContact CG2-OH 3.32Å; T145-Y147 WeakPolarHBondContact OG1-CE2 3.43Å; Y147-G149 VanDerWaalsContact C-N 3.29Å; Y147-D152 WeakPolarHBondContact CA-OD2 3.47Å; Y147-A153 VanDerWaalsContact CD1-CA 3.4Å; Y147-A153 HydrophobicContact CD1-CB 3.71Å; Y147-A153 HydrophobicContact CD2-CB 4.24Å; Y147-A153 HydrophobicContact CE1-CB 4.19Å; Y147-A153 HydrophobicContact CG-CB 3.7Å; Y147-Q156 HydrophobicContact CD1-CB 4.18Å; Y147-Q156 HydrophobicContact CD1-CG 4.45Å; Y147-Q156 HydrophobicContact CE1-CB 3.88Å
148S74.9Confident75.6Confident117 Ų11774.9 Ų74.982%0.81840%0.4SS*.SBendtrans-80-12.5175.5-174.80000112.8D152S148-D152 PolarHBondContact N-OD2 2.92Å
149G80.6Confident76.8Confident25 Ų2580.6 Ų80.626%0.25842%0.418SS..SBendtrans167.9-173.8-176.900000113Y147 D152 A153Y147-G149 VanDerWaalsContact C-N 3.29Å; G149-D152 PolarHBondContact O-N 3.23Å; G149-A153 WeakPolarHBondContact O-CB 3.24Å; G149-A153 PolarHBondContact O-N 2.78Å
150I83.8Confident78Confident45 Ų4586.3 Ų86.323%0.23144%0.441CS..Hα-helixtrans-61.8-46.7-176.9-60.8170.6000111.9P71 C74 V126 L130 A153 F154P71-I150 HydrophobicContact CB-CD1 4.3Å; P71-I150 HydrophobicContact CB-CG1 4.09Å; C74-I150 HydrophobicContact CB-CD1 4.2Å; V126-I150 HydrophobicContact CG1-CG2 3.97Å; L130-I150 HydrophobicContact CD1-CB 4.42Å; L130-I150 HydrophobicContact CD1-CG1 3.79Å; I150-A153 PolarHBondContact O-N 3.04Å; I150-F154 PolarHBondContact O-N 3.3Å
151L85.3Confident79.2Confident151 Ų15184.6 Ų84.679%0.79142%0.421SS*.Hα-helixtrans-68.5-40.2-178.5-65.8176.1000112.3F154 K155L151-F154 PolarHBondContact O-N 3.38Å; L151-K155 WeakPolarHBondContact O-CB 3.39Å; L151-K155 PolarHBondContact O-N 3.49Å
152D85.9Confident80.3Confident54 Ų5481.4 Ų81.429%0.28941%0.411SS..Hα-helixtrans-65.6-42.6175.7179.944.3000110.9Y147 S148 G149 F154 K155 Q156Y147-D152 WeakPolarHBondContact CA-OD2 3.47Å; S148-D152 PolarHBondContact N-OD2 2.92Å; G149-D152 PolarHBondContact O-N 3.23Å; D152-F154 PolarHBondContact O-N 2.84Å; D152-K155 PolarHBondContact O-N 3.42Å; D152-Q156 WeakPolarHBondContact O-CB 3.3Å; D152-Q156 WeakPolarHBondContact O-CG 3.16Å; D152-Q156 PolarHBondContact O-N 3.45Å; D152-Q156 PolarHBondContact OD1-NE2 2.95Å; D152-Q156 PolarHBondContact OD2-NE2 3.43Å
153A85.3Confident81.2Confident0 Ų084.5 Ų84.50%043%0.431CS..Hα-helixtrans-57.8-46.9172.700000112.1V126 L130 Y147 G149 I150 K155 Q156 I157V126-A153 HydrophobicContact CG1-CB 3.77Å; L130-A153 HydrophobicContact CD1-CB 4.43Å; L130-A153 HydrophobicContact CD2-CB 4.07Å; L130-A153 HydrophobicContact CG-CB 4.21Å; Y147-A153 VanDerWaalsContact CD1-CA 3.4Å; Y147-A153 HydrophobicContact CD1-CB 3.71Å; Y147-A153 HydrophobicContact CD2-CB 4.24Å; Y147-A153 HydrophobicContact CE1-CB 4.19Å; Y147-A153 HydrophobicContact CG-CB 3.7Å; G149-A153 WeakPolarHBondContact O-CB 3.24Å; G149-A153 PolarHBondContact O-N 2.78Å; I150-A153 PolarHBondContact O-N 3.04Å; A153-K155 PolarHBondContact O-N 3.24Å; A153-Q156 PolarHBondContact O-N 2.86Å; A153-I157 WeakPolarHBondContact O-CB 3.33Å; A153-I157 VanDerWaalsContact O-CD1 3.29Å; A153-I157 WeakPolarHBondContact O-CD1 3.43Å; A153-I157 WeakPolarHBondContact O-CG1 3.3Å; A153-I157 PolarHBondContact O-N 2.72Å
154F87.3Confident82Confident94 Ų9477.3 Ų77.341%0.41242%0.42SS..Hα-helixtrans-58-49.1177.1-167.7-91.8000111.9P122 V126 I150 L151 D152 Q156 I157 V158 L166P122-F154 HydrophobicContact CB-CE2 4.31Å; V126-F154 HydrophobicContact CG2-CB 4.42Å; V126-F154 HydrophobicContact CG2-CD2 4.16Å; I150-F154 PolarHBondContact O-N 3.3Å; L151-F154 PolarHBondContact O-N 3.38Å; D152-F154 PolarHBondContact O-N 2.84Å; F154-Q156 PolarHBondContact O-N 3.46Å; F154-I157 PolarHBondContact O-N 2.92Å; F154-V158 HydrophobicContact CD1-CG2 4.35Å; F154-V158 HydrophobicContact CE1-CG2 4.13Å; F154-V158 WeakPolarHBondContact O-CG2 3.32Å; F154-V158 PolarHBondContact O-N 3.43Å; F154-V158 VanDerWaalsContact O-N 3.11Å; F154-L166 HydrophobicContact CD2-CD1 4.15Å; F154-L166 HydrophobicContact CD2-CD2 3.81Å; F154-L166 HydrophobicContact CE1-CD1 4.23Å; F154-L166 HydrophobicContact CE2-CD1 3.39Å; F154-L166 HydrophobicContact CE2-CD2 3.78Å; F154-L166 HydrophobicContact CE2-CG 4.23Å; F154-L166 HydrophobicContact CZ-CD1 3.43Å; F154-L166 VanDerWaalsContact CZ-CD1 3.43Å
155K88Confident82.8Confident147 Ų14771.7 Ų71.764%0.63938%0.384SS*.Hα-helixtrans-63-42.9179.7-171177.2-176.7177.90112.1L151 D152 A153 R159L151-K155 WeakPolarHBondContact O-CB 3.39Å; L151-K155 PolarHBondContact O-N 3.49Å; D152-K155 PolarHBondContact O-N 3.42Å; A153-K155 PolarHBondContact O-N 3.24Å; K155-R159 VanDerWaalsContact O-CB 3.29Å; K155-R159 WeakPolarHBondContact O-CB 3.28Å; K155-R159 PolarHBondContact O-N 2.9Å
156Q85.9Confident83.6Confident34 Ų3470.4 Ų70.416%0.15938%0.376CS..Hα-helixtrans-66.8-41.2179.5-75.3-165.156.200112.3N146 Y147 D152 A153 F154 R159 K160N146-Q156 PolarHBondContact O-NE2 3.4Å; Y147-Q156 HydrophobicContact CD1-CB 4.18Å; Y147-Q156 HydrophobicContact CD1-CG 4.45Å; Y147-Q156 HydrophobicContact CE1-CB 3.88Å; D152-Q156 WeakPolarHBondContact O-CB 3.3Å; D152-Q156 WeakPolarHBondContact O-CG 3.16Å; D152-Q156 PolarHBondContact O-N 3.45Å; D152-Q156 PolarHBondContact OD1-NE2 2.95Å; D152-Q156 PolarHBondContact OD2-NE2 3.43Å; A153-Q156 PolarHBondContact O-N 2.86Å; F154-Q156 PolarHBondContact O-N 3.46Å; Q156-R159 PolarHBondContact O-N 3.47Å; Q156-K160 VanDerWaalsContact O-CB 3.29Å; Q156-K160 WeakPolarHBondContact O-CB 3.38Å; Q156-K160 WeakPolarHBondContact O-CG 3.27Å; Q156-K160 PolarHBondContact O-N 2.91Å
157I85.7Confident84.1Confident0 Ų069 Ų690%036%0.361CS..Hα-helixtrans-62-50.7177.6-66.2161.6000109.9V125 V126 A153 F154 R159 K160 E161 G162 A165 L166V125-I157 HydrophobicContact CG1-CD1 4.46Å; V126-I157 HydrophobicContact CG2-CD1 3.88Å; A153-I157 WeakPolarHBondContact O-CB 3.33Å; A153-I157 VanDerWaalsContact O-CD1 3.29Å; A153-I157 WeakPolarHBondContact O-CD1 3.43Å; A153-I157 WeakPolarHBondContact O-CG1 3.3Å; A153-I157 PolarHBondContact O-N 2.72Å; F154-I157 PolarHBondContact O-N 2.92Å; I157-R159 VanDerWaalsContact C-N 3.3Å; I157-R159 PolarHBondContact O-N 2.92Å; I157-K160 PolarHBondContact O-N 3.14Å; I157-E161 WeakPolarHBondContact O-CB 3.23Å; I157-E161 PolarHBondContact O-N 3.5Å; I157-G162 PolarHBondContact O-N 3.39Å; I157-A165 HydrophobicContact CG2-CB 3.9Å; I157-L166 HydrophobicContact CB-CD2 4.38Å; I157-L166 HydrophobicContact CD1-CD2 4.43Å; I157-L166 HydrophobicContact CG2-CD2 3.94Å; I157-L166 HydrophobicContact CG2-CG 4.28Å
158V87.4Confident84.2Confident47 Ų4770.8 Ų70.829%0.28537%0.371SS..Hα-helixtrans-60.2-41.2179.6173.30000111.5F154 G162 V163 L166F154-V158 HydrophobicContact CD1-CG2 4.35Å; F154-V158 HydrophobicContact CE1-CG2 4.13Å; F154-V158 WeakPolarHBondContact O-CG2 3.32Å; F154-V158 PolarHBondContact O-N 3.43Å; F154-V158 VanDerWaalsContact O-N 3.11Å; V158-G162 WeakPolarHBondContact O-CA 3.45Å; V158-G162 PolarHBondContact O-N 3.46Å; V158-G162 VanDerWaalsContact O-N 3.15Å; V158-V163 HydrophobicContact CG1-CG2 3.9Å; V158-L166 HydrophobicContact CG2-CD1 3.62Å; V158-L166 HydrophobicContact CG2-CG 4.27Å
159R85.8Confident84.5Confident218 Ų21865.5 Ų65.582%0.82334%0.335SS*.Hα-helixtrans-73.5-36.6-178-172.1176.9179.1-179.81.4113.5K155 Q156 I157K155-R159 VanDerWaalsContact O-CB 3.29Å; K155-R159 WeakPolarHBondContact O-CB 3.28Å; K155-R159 PolarHBondContact O-N 2.9Å; Q156-R159 PolarHBondContact O-N 3.47Å; I157-R159 VanDerWaalsContact C-N 3.3Å; I157-R159 PolarHBondContact O-N 2.92Å
160K84.1Confident84.8Confident149 Ų14965.2 Ų65.265%0.64833%0.329SS*.Hα-helixtrans-92.3-34.7-173.7-69175.6175.2170.90113.3Q156 I157Q156-K160 VanDerWaalsContact O-CB 3.29Å; Q156-K160 WeakPolarHBondContact O-CB 3.38Å; Q156-K160 WeakPolarHBondContact O-CG 3.27Å; Q156-K160 PolarHBondContact O-N 2.91Å; I157-K160 PolarHBondContact O-N 3.14Å
161E81.1Confident84.9Confident79 Ų7964.9 Ų64.937%0.36933%0.326SS..Hα-helixtrans-121.8-7.8-170.3-62171.6-144.200112.8R129 I157 A165R129-E161 IonicContact CZ-OE1 3.94Å; R129-E161 IonicContact CZ-OE2 3.7Å; R129-E161 VanDerWaalsContact CZ-OE2 3.24Å; R129-E161 IonicContact NH1-OE1 3.37Å; R129-E161 PolarHBondContact NH1-OE1 2.99Å; R129-E161 IonicContact NH1-OE2 2.68Å; R129-E161 PolarHBondContact NH1-OE2 3.39Å; R129-E161 IonicContact NH2-OE1 3.74Å; R129-E161 IonicContact NH2-OE2 3.85Å; R129-E161 PolarHBondContact NH2-OE2 2.93Å; I157-E161 WeakPolarHBondContact O-CB 3.23Å; I157-E161 PolarHBondContact O-N 3.5Å; E161-A165 HydrophobicContact CB-CB 3.63Å
162G83.8Confident84.9Confident30 Ų3057.8 Ų57.831%0.30929%0.289SS..  trans88.4169.1-179.600000113.7I157 V158 G164 A165I157-G162 PolarHBondContact O-N 3.39Å; V158-G162 WeakPolarHBondContact O-CA 3.45Å; V158-G162 PolarHBondContact O-N 3.46Å; V158-G162 VanDerWaalsContact O-N 3.15Å; G162-G164 VanDerWaalsContact C-N 3.29Å; G162-G164 PolarHBondContact O-N 3.39Å; G162-A165 WeakPolarHBondContact O-CB 3.47Å; G162-A165 PolarHBondContact O-N 3.35Å
163V84.7Confident84.9Confident87 Ų8755.8 Ų55.853%0.52728%0.279SS..G310 helixtrans-63-36-177.7177.50000111.6V158 A165 L166 W167V158-V163 HydrophobicContact CG1-CG2 3.9Å; V163-A165 PolarHBondContact O-N 3.47Å; V163-L166 WeakPolarHBondContact O-CB 3.29Å; V163-L166 PolarHBondContact O-N 3.39Å; V163-W167 HydrophobicContact CG1-CH2 4.4Å; V163-W167 HydrophobicContact CG1-CZ3 3.65Å; V163-W167 VanDerWaalsContact O-CE3 3.27Å; V163-W167 VanDerWaalsContact O-CZ3 3.31Å; V163-W167 WeakPolarHBondContact O-CZ3 3.19Å
164G81Confident85Confident52 Ų5258.5 Ų58.554%0.53629%0.293SS..G310 helixtrans-61.1-27.9-179.800000114.2G162 L166 W167G162-G164 VanDerWaalsContact C-N 3.29Å; G162-G164 PolarHBondContact O-N 3.39Å; G164-L166 PolarHBondContact O-N 3.13Å; G164-W167 PolarHBondContact O-N 2.86Å
165A82.3Confident85Confident6 Ų657 Ų575%0.0529%0.289CS..G310 helixtrans-63.5-24.9-178.700000113.2I157 E161 G162 V163 W167 N168I157-A165 HydrophobicContact CG2-CB 3.9Å; E161-A165 HydrophobicContact CB-CB 3.63Å; G162-A165 WeakPolarHBondContact O-CB 3.47Å; G162-A165 PolarHBondContact O-N 3.35Å; V163-A165 PolarHBondContact O-N 3.47Å; A165-W167 PolarHBondContact O-N 3.26Å; A165-N168 WeakPolarHBondContact O-CB 3.22Å; A165-N168 VanDerWaalsContact O-CG 3.31Å; A165-N168 PolarHBondContact O-N 3.47Å
166L85.1Confident85Confident2 Ų251 Ų511%0.0126%0.264CS..G310 helixtrans-67.4-20.5174.8-67.9171.7000113.1T121 P122 V125 V126 F154 I157 V158 V163 G164T121-L166 CarbonylContact C-O 3.55Å; P122-L166 VanDerWaalsContact CA-O 3.29Å; P122-L166 WeakPolarHBondContact CA-O 3.03Å; P122-L166 HydrophobicContact CB-CB 4.02Å; P122-L166 HydrophobicContact CB-CD2 4.41Å; P122-L166 HydrophobicContact CG-CB 4.21Å; V125-L166 VanDerWaalsContact CG2-O 3.27Å; V125-L166 WeakPolarHBondContact CG2-O 3.18Å; V126-L166 HydrophobicContact CG2-CD2 4.34Å; F154-L166 HydrophobicContact CD2-CD1 4.15Å; F154-L166 HydrophobicContact CD2-CD2 3.81Å; F154-L166 HydrophobicContact CE1-CD1 4.23Å; F154-L166 HydrophobicContact CE2-CD1 3.39Å; F154-L166 HydrophobicContact CE2-CD2 3.78Å; F154-L166 HydrophobicContact CE2-CG 4.23Å; F154-L166 HydrophobicContact CZ-CD1 3.43Å; F154-L166 VanDerWaalsContact CZ-CD1 3.43Å; I157-L166 HydrophobicContact CB-CD2 4.38Å; I157-L166 HydrophobicContact CD1-CD2 4.43Å; I157-L166 HydrophobicContact CG2-CD2 3.94Å; I157-L166 HydrophobicContact CG2-CG 4.28Å; V158-L166 HydrophobicContact CG2-CD1 3.62Å; V158-L166 HydrophobicContact CG2-CG 4.27Å; V163-L166 WeakPolarHBondContact O-CB 3.29Å; V163-L166 PolarHBondContact O-N 3.39Å; G164-L166 PolarHBondContact O-N 3.13Å
167W87.1Confident84.9Confident98 Ų9853.4 Ų53.437%0.37128%0.28SS..G310 helixtrans-101.812.3176.9-75.1-86.5000112.8L118 P122 V163 G164 A165 G169 T170L118-W167 PolarHBondContact O-NE1 2.89Å; P122-W167 HydrophobicContact CG-CD2 4.28Å; P122-W167 HydrophobicContact CG-CH2 4.3Å; P122-W167 HydrophobicContact CG-CZ2 3.78Å; V163-W167 HydrophobicContact CG1-CH2 4.4Å; V163-W167 HydrophobicContact CG1-CZ3 3.65Å; V163-W167 VanDerWaalsContact O-CE3 3.27Å; V163-W167 VanDerWaalsContact O-CZ3 3.31Å; V163-W167 WeakPolarHBondContact O-CZ3 3.19Å; G164-W167 PolarHBondContact O-N 2.86Å; A165-W167 PolarHBondContact O-N 3.26Å; W167-G169 PolarHBondContact O-N 3.48Å; W167-T170 WeakPolarHBondContact CA-OG1 3.45Å; W167-T170 WeakPolarHBondContact CB-OG1 3.48Å; W167-T170 WeakPolarHBondContact O-CB 3.21Å; W167-T170 PolarHBondContact O-N 2.9Å; W167-T170 PolarHBondContact O-OG1 3.44Å
168N83.4Confident85Confident51 Ų5158.3 Ų58.327%0.27331%0.306SS..THydrogen-bonded Turntrans-61.1126.7174.5-74.1-7.2000110.7V125 A165 L232 R233V125-N168 WeakPolarHBondContact CG2-O 3.22Å; A165-N168 WeakPolarHBondContact O-CB 3.22Å; A165-N168 VanDerWaalsContact O-CG 3.31Å; A165-N168 PolarHBondContact O-N 3.47Å; N168-L232 VanDerWaalsContact CB-O 3.27Å; N168-L232 WeakPolarHBondContact CB-O 3.2Å; N168-R233 WeakPolarHBondContact O-CG 3.27Å
169G81.8Confident85.1Confident6 Ų656.7 Ų56.76%0.06230%0.296CS..THydrogen-bonded Turntrans84.28.8-175.500000114.8W167 F171 P172 S173W167-G169 PolarHBondContact O-N 3.48Å; G169-F171 VanDerWaalsContact C-N 3.34Å; G169-F171 PolarHBondContact O-N 3.29Å; G169-P172 VanDerWaalsContact O-CD 3.31Å; G169-P172 WeakPolarHBondContact O-CD 3.44Å; G169-P172 VanDerWaalsContact O-CG 3.29Å; G169-P172 WeakPolarHBondContact O-CG 3.43Å; G169-S173 WeakPolarHBondContact O-CB 3.44Å; G169-S173 PolarHBondContact O-N 2.91Å; G169-S173 VanDerWaalsContact O-N 3.08Å; G169-S173 PolarHBondContact O-OG 3.24Å
170T85.8Confident85.3Confident19 Ų1950 Ų5012%0.11728%0.28CS..Hα-helixtrans-57-47.8172.2-610000111.2V117 L118 T121 W167 S173 L174V117-T170 HydrophobicContact CG1-CG2 4.12Å; L118-T170 HydrophobicContact CD2-CG2 4Å; T121-T170 WeakPolarHBondContact CG2-OG1 3.28Å; W167-T170 WeakPolarHBondContact CA-OG1 3.45Å; W167-T170 WeakPolarHBondContact CB-OG1 3.48Å; W167-T170 WeakPolarHBondContact O-CB 3.21Å; W167-T170 PolarHBondContact O-N 2.9Å; W167-T170 PolarHBondContact O-OG1 3.44Å; T170-S173 WeakPolarHBondContact O-CA 3.49Å; T170-S173 VanDerWaalsContact O-CB 3.31Å; T170-S173 WeakPolarHBondContact O-CB 3.29Å; T170-S173 PolarHBondContact O-N 2.85Å; T170-S173 VanDerWaalsContact O-N 3.1Å; T170-L174 HydrophobicContact CG2-CD1 4.23Å; T170-L174 HydrophobicContact CG2-CG 4.45Å; T170-L174 WeakPolarHBondContact O-CG 3.28Å; T170-L174 PolarHBondContact O-N 2.91Å
171F86.1Confident85.5Confident39 Ų3945.8 Ų45.817%0.17127%0.274CS..Hα-helixtrans-60-52.3-177.6-173.2-98.8000114G169 S173 L174 L175 L246 L250 L253G169-F171 VanDerWaalsContact C-N 3.34Å; G169-F171 PolarHBondContact O-N 3.29Å; F171-S173 PolarHBondContact O-N 3.18Å; F171-L174 PolarHBondContact O-N 2.98Å; F171-L175 HydrophobicContact CD1-CD1 4.35Å; F171-L175 HydrophobicContact CE1-CD1 3.69Å; F171-L175 HydrophobicContact CE1-CG 4.3Å; F171-L175 HydrophobicContact CZ-CD1 4.15Å; F171-L175 HydrophobicContact CZ-CG 4.42Å; F171-L175 PolarHBondContact O-N 2.67Å; F171-L246 HydrophobicContact CD2-CD2 4.27Å; F171-L250 HydrophobicContact CE1-CD2 3.37Å; F171-L250 HydrophobicContact CE1-CG 3.77Å; F171-L250 HydrophobicContact CE2-CG 4.35Å; F171-L250 HydrophobicContact CZ-CD1 4.24Å; F171-L250 HydrophobicContact CZ-CD2 3.37Å; F171-L250 HydrophobicContact CZ-CG 3.53Å; F171-L253 HydrophobicContact CD1-CD1 3.39Å; F171-L253 HydrophobicContact CD1-CG 4.16Å; F171-L253 HydrophobicContact CE1-CD1 3.72Å
172P85.3Confident86Confident2 Ų243.9 Ų43.91%0.01327%0.266CS..Hα-helixtrans-63.9-29.3173.225.2-34.1000112.7G169 L175 L176 Q229 L232 L253G169-P172 VanDerWaalsContact O-CD 3.31Å; G169-P172 WeakPolarHBondContact O-CD 3.44Å; G169-P172 VanDerWaalsContact O-CG 3.29Å; G169-P172 WeakPolarHBondContact O-CG 3.43Å; P172-L175 PolarHBondContact O-N 3.1Å; P172-L176 WeakPolarHBondContact O-CB 3.38Å; P172-L176 WeakPolarHBondContact O-CD1 3.42Å; P172-L176 WeakPolarHBondContact O-CG 3.33Å; P172-L176 PolarHBondContact O-N 2.94Å; P172-Q229 HydrophobicContact CB-CB 4.13Å; P172-Q229 HydrophobicContact CG-CB 4.06Å; P172-Q229 HydrophobicContact CG-CG 4.38Å; P172-L232 HydrophobicContact CG-CD1 4.03Å; P172-L253 HydrophobicContact CB-CD1 4.09Å; P172-L253 HydrophobicContact CB-CD2 4.31Å; P172-L253 HydrophobicContact CG-CD1 4.49Å; P172-L253 HydrophobicContact CG-CD2 4.15Å
173S86.3Confident86.5Confident11 Ų1145.1 Ų45.18%0.07726%0.263CS..Hα-helixtrans-63.9-39.9174.9-55.50000112G169 T170 F171 L176 V177 Q229 R233G169-S173 WeakPolarHBondContact O-CB 3.44Å; G169-S173 PolarHBondContact O-N 2.91Å; G169-S173 VanDerWaalsContact O-N 3.08Å; G169-S173 PolarHBondContact O-OG 3.24Å; T170-S173 WeakPolarHBondContact O-CA 3.49Å; T170-S173 VanDerWaalsContact O-CB 3.31Å; T170-S173 WeakPolarHBondContact O-CB 3.29Å; T170-S173 PolarHBondContact O-N 2.85Å; T170-S173 VanDerWaalsContact O-N 3.1Å; F171-S173 PolarHBondContact O-N 3.18Å; S173-L176 PolarHBondContact O-N 3.13Å; S173-V177 PolarHBondContact O-N 3.2Å; S173-Q229 PolarHBondContact OG-OE1 3.33Å; S173-R233 PolarHBondContact OG-NH2 2.81Å
174L86.7Confident86.8Confident57 Ų5747.1 Ų47.130%0.29827%0.265SS..Hα-helixtrans-64.1-43.6175.2-70.4170.9000111.6V114 V117 T170 F171 L176 V177V114-L174 HydrophobicContact CG2-CD2 4.19Å; V117-L174 HydrophobicContact CB-CD2 3.88Å; V117-L174 HydrophobicContact CG1-CD2 3.87Å; V117-L174 HydrophobicContact CG1-CG 4.1Å; V117-L174 HydrophobicContact CG2-CD2 4.05Å; T170-L174 HydrophobicContact CG2-CD1 4.23Å; T170-L174 HydrophobicContact CG2-CG 4.45Å; T170-L174 WeakPolarHBondContact O-CG 3.28Å; T170-L174 PolarHBondContact O-N 2.91Å; F171-L174 PolarHBondContact O-N 2.98Å; L174-L176 VanDerWaalsContact C-N 3.25Å; L174-L176 PolarHBondContact O-N 2.97Å; L174-V177 VanDerWaalsContact O-CB 3.27Å; L174-V177 WeakPolarHBondContact O-CB 3.5Å; L174-V177 WeakPolarHBondContact O-CG2 3.46Å; L174-V177 PolarHBondContact O-N 3.28Å
175L87.5Confident87.4Confident62 Ų6250.7 Ų50.733%0.32527%0.27SS..Hα-helixtrans-63.2-34.8174.8-67178.5000112F171 P172 V177 L178 L225F171-L175 HydrophobicContact CD1-CD1 4.35Å; F171-L175 HydrophobicContact CE1-CD1 3.69Å; F171-L175 HydrophobicContact CE1-CG 4.3Å; F171-L175 HydrophobicContact CZ-CD1 4.15Å; F171-L175 HydrophobicContact CZ-CG 4.42Å; F171-L175 PolarHBondContact O-N 2.67Å; P172-L175 PolarHBondContact O-N 3.1Å; L175-V177 PolarHBondContact O-N 3.07Å; L175-L178 WeakPolarHBondContact O-CB 3.26Å; L175-L178 WeakPolarHBondContact O-CG 3.35Å; L175-L178 PolarHBondContact O-N 3.26Å; L175-L178 VanDerWaalsContact O-N 3.1Å; L175-L225 HydrophobicContact CB-CD1 4.03Å; L175-L225 HydrophobicContact CD1-CD1 4.27Å; L175-L225 HydrophobicContact CD1-CD2 4.18Å
176L88.4Confident87.9Confident22 Ų2251.9 Ų51.912%0.11528%0.276CS..Hα-helixtrans-70.9-10.5178.5-80.4162000114P172 S173 L174 L178 N179 T222 L225 Q226 Q229P172-L176 WeakPolarHBondContact O-CB 3.38Å; P172-L176 WeakPolarHBondContact O-CD1 3.42Å; P172-L176 WeakPolarHBondContact O-CG 3.33Å; P172-L176 PolarHBondContact O-N 2.94Å; S173-L176 PolarHBondContact O-N 3.13Å; L174-L176 VanDerWaalsContact C-N 3.25Å; L174-L176 PolarHBondContact O-N 2.97Å; L176-L178 PolarHBondContact O-N 3.41Å; L176-N179 WeakPolarHBondContact O-CB 3.22Å; L176-N179 PolarHBondContact O-N 3.08Å; L176-T222 HydrophobicContact CD2-CG2 4.33Å; L176-L225 HydrophobicContact CD1-CB 4.28Å; L176-L225 HydrophobicContact CD2-CB 4.33Å; L176-L225 HydrophobicContact CG-CB 4.21Å; L176-Q226 HydrophobicContact CD1-CB 4.47Å; L176-Q226 HydrophobicContact CD1-CG 3.88Å; L176-Q226 HydrophobicContact CD2-CG 3.5Å; L176-Q226 VanDerWaalsContact CD2-CG 3.5Å; L176-Q226 HydrophobicContact CG-CG 4.39Å; L176-Q229 HydrophobicContact CD1-CB 4.25Å
177V84.4Confident88.2Confident84 Ų8454.6 Ų54.651%0.50929%0.287SS..THydrogen-bonded Turntrans-62.1-18.7167.3-177.70000111.6V117 S173 L174 L175 N179 P180V117-V177 HydrophobicContact CG2-CG2 4.3Å; S173-V177 PolarHBondContact O-N 3.2Å; L174-V177 VanDerWaalsContact O-CB 3.27Å; L174-V177 WeakPolarHBondContact O-CB 3.5Å; L174-V177 WeakPolarHBondContact O-CG2 3.46Å; L174-V177 PolarHBondContact O-N 3.28Å; L175-V177 PolarHBondContact O-N 3.07Å; V177-N179 VanDerWaalsContact C-N 3.28Å; V177-N179 PolarHBondContact O-N 3.22Å; V177-P180 VanDerWaalsContact O-CD 3.27Å; V177-P180 WeakPolarHBondContact O-CD 3.27Å
178L86.4Confident88.4Confident104 Ų10451.9 Ų51.955%0.54528%0.278SS..THydrogen-bonded Turntrans-74.6-14.5172.4-59.7176.1000113.3L175 L176 A181 I182L175-L178 WeakPolarHBondContact O-CB 3.26Å; L175-L178 WeakPolarHBondContact O-CG 3.35Å; L175-L178 PolarHBondContact O-N 3.26Å; L175-L178 VanDerWaalsContact O-N 3.1Å; L176-L178 PolarHBondContact O-N 3.41Å; L178-A181 WeakPolarHBondContact O-CB 3.32Å; L178-A181 PolarHBondContact O-N 3.44Å; L178-A181 VanDerWaalsContact O-N 3.12Å; L178-I182 WeakPolarHBondContact O-CG1 3.28Å; L178-I182 PolarHBondContact O-N 3.5Å
179N91.1Very high88.8Confident13 Ų1351.1 Ų51.17%0.0728%0.282CS..Hα-helixtrans-57.6-47.8-177179.7-87.4000113.2L176 V177 A181 I182 Q183 K215 A218 T222L176-N179 WeakPolarHBondContact O-CB 3.22Å; L176-N179 PolarHBondContact O-N 3.08Å; V177-N179 VanDerWaalsContact C-N 3.28Å; V177-N179 PolarHBondContact O-N 3.22Å; N179-A181 VanDerWaalsContact C-N 3.31Å; N179-A181 PolarHBondContact O-N 3.02Å; N179-I182 PolarHBondContact O-N 3.05Å; N179-Q183 WeakPolarHBondContact O-CB 3.38Å; N179-Q183 PolarHBondContact O-N 3.34Å; N179-K215 PolarHBondContact OD1-NZ 3.26Å; N179-A218 PolarHBondContact ND2-O 3Å; N179-T222 HydrophobicContact CB-CG2 4.21Å; N179-T222 PolarHBondContact ND2-OG1 3.17Å
180P88.3Confident89.2Confident76 Ų7653.3 Ų53.349%0.49429%0.292SS..Hα-helixtrans-62.8-33.9175.2-22.835.9000113.5V177 Q183 F184V177-P180 VanDerWaalsContact O-CD 3.27Å; V177-P180 WeakPolarHBondContact O-CD 3.27Å; P180-Q183 PolarHBondContact O-N 2.9Å; P180-F184 WeakPolarHBondContact O-CB 3.37Å; P180-F184 PolarHBondContact O-N 3.4Å
181A89Confident89.3Confident61 Ų6154.1 Ų54.150%0.50429%0.294SS..Hα-helixtrans-65.7-44.5177.100000111.4L178 N179 F184 M185L178-A181 WeakPolarHBondContact O-CB 3.32Å; L178-A181 PolarHBondContact O-N 3.44Å; L178-A181 VanDerWaalsContact O-N 3.12Å; N179-A181 VanDerWaalsContact C-N 3.31Å; N179-A181 PolarHBondContact O-N 3.02Å; A181-F184 PolarHBondContact O-N 3.38Å; A181-M185 WeakPolarHBondContact O-CB 3.36Å; A181-M185 PolarHBondContact O-N 3.14Å
182I92.3Very high89.4Confident40 Ų4060.4 Ų60.421%0.20532%0.317CS..Hα-helixtrans-61.7-45.2174.1-62.3166.9000110.3L178 N179 F184 M185 V186 A218 V221 T222L178-I182 WeakPolarHBondContact O-CG1 3.28Å; L178-I182 PolarHBondContact O-N 3.5Å; N179-I182 PolarHBondContact O-N 3.05Å; I182-F184 PolarHBondContact O-N 2.91Å; I182-M185 PolarHBondContact O-N 3.18Å; I182-V186 HydrophobicContact CG2-CG2 4.48Å; I182-V186 WeakPolarHBondContact O-CG2 3.21Å; I182-V186 PolarHBondContact O-N 3.38Å; I182-A218 HydrophobicContact CB-CB 4.18Å; I182-A218 HydrophobicContact CG2-CB 3.9Å; I182-V221 HydrophobicContact CD1-CG1 4.24Å; I182-T222 HydrophobicContact CD1-CG2 3.84Å
183Q92.6Very high89.4Confident55 Ų5566.8 Ų66.826%0.25735%0.346SS..Hα-helixtrans-58.4-47.2177.2179.6-175.3-1500111.4N179 P180 V186 Y187 A214 K215 A218N179-Q183 WeakPolarHBondContact O-CB 3.38Å; N179-Q183 PolarHBondContact O-N 3.34Å; P180-Q183 PolarHBondContact O-N 2.9Å; Q183-V186 PolarHBondContact O-N 3.35Å; Q183-Y187 VanDerWaalsContact O-CB 3.29Å; Q183-Y187 WeakPolarHBondContact O-CB 3.19Å; Q183-Y187 PolarHBondContact O-N 2.98Å; Q183-A214 HydrophobicContact CG-CB 4.24Å; Q183-K215 VanDerWaalsContact CD-CD 3.5Å; Q183-K215 HydrophobicContact CG-CD 4.37Å; Q183-A218 HydrophobicContact CB-CB 3.85Å
184F91.4Very high89.2Confident129 Ų12969.9 Ų69.957%0.56636%0.361SS*.Hα-helixtrans-63.6-42.9179.5-176.6-100.4000111.9P180 A181 I182 V186 Y187 E188P180-F184 WeakPolarHBondContact O-CB 3.37Å; P180-F184 PolarHBondContact O-N 3.4Å; A181-F184 PolarHBondContact O-N 3.38Å; I182-F184 PolarHBondContact O-N 2.91Å; F184-V186 PolarHBondContact O-N 3.27Å; F184-Y187 PolarHBondContact O-N 2.96Å; F184-E188 HydrophobicContact CD1-CG 4.34Å; F184-E188 HydrophobicContact CD2-CG 4.46Å; F184-E188 HydrophobicContact CE1-CG 3.81Å; F184-E188 HydrophobicContact CE2-CG 3.94Å; F184-E188 HydrophobicContact CZ-CG 3.59Å; F184-E188 PolarHBondContact O-N 3.41Å
185M93.2Very high88.9Confident128 Ų12873.4 Ų73.463%0.63137%0.371SS*.Hα-helixtrans-57.9-47.4175.7-178.5-175.270.500111.8A181 I182 G189A181-M185 WeakPolarHBondContact O-CB 3.36Å; A181-M185 PolarHBondContact O-N 3.14Å; I182-M185 PolarHBondContact O-N 3.18Å; M185-G189 PolarHBondContact O-N 2.86Å
186V93.8Very high88.3Confident30 Ų3081.4 Ų81.418%0.18240%0.397CS..Hα-helixtrans-66.6-41.9178.1177.60000111I182 Q183 F184 G189 L190 A214 V217I182-V186 HydrophobicContact CG2-CG2 4.48Å; I182-V186 WeakPolarHBondContact O-CG2 3.21Å; I182-V186 PolarHBondContact O-N 3.38Å; Q183-V186 PolarHBondContact O-N 3.35Å; F184-V186 PolarHBondContact O-N 3.27Å; V186-G189 PolarHBondContact O-N 3.5Å; V186-L190 HydrophobicContact CG1-CD1 3.88Å; V186-L190 HydrophobicContact CG1-CG 4.29Å; V186-L190 WeakPolarHBondContact O-CB 3.38Å; V186-L190 WeakPolarHBondContact O-CG 3.42Å; V186-L190 PolarHBondContact O-N 2.95Å; V186-A214 HydrophobicContact CB-CB 4.04Å; V186-A214 HydrophobicContact CG1-CB 3.9Å; V186-V217 HydrophobicContact CG1-CB 4.35Å; V186-V217 HydrophobicContact CG1-CG2 4.48Å; V186-V217 HydrophobicContact CG2-CB 4.44Å; V186-V217 HydrophobicContact CG2-CG1 3.95Å
187Y91.7Very high87.2Confident60 Ų6083.8 Ų83.824%0.23543%0.427CS..Hα-helixtrans-59.2-51178179.3-96000112Q183 F184 G189 L190 K191 I210Q183-Y187 VanDerWaalsContact O-CB 3.29Å; Q183-Y187 WeakPolarHBondContact O-CB 3.19Å; Q183-Y187 PolarHBondContact O-N 2.98Å; F184-Y187 PolarHBondContact O-N 2.96Å; Y187-G189 PolarHBondContact O-N 3.21Å; Y187-L190 PolarHBondContact O-N 3.32Å; Y187-K191 HydrophobicContact CE1-CD 3.97Å; Y187-K191 WeakPolarHBondContact O-CB 3.22Å; Y187-K191 PolarHBondContact O-N 3.36Å; Y187-I210 HydrophobicContact CD2-CB 4.36Å; Y187-I210 HydrophobicContact CD2-CG2 3.61Å; Y187-I210 HydrophobicContact CE2-CB 4.25Å; Y187-I210 HydrophobicContact CE2-CG2 3.87Å; Y187-I210 HydrophobicContact CG-CG2 4.37Å
188E91.5Very high86.1Confident41 Ų4181.9 Ų81.919%0.19242%0.42CS..Hα-helixtrans-66.8-36.2178.4-78.3-64.3139.500112.1F184 K191 R192F184-E188 HydrophobicContact CD1-CG 4.34Å; F184-E188 HydrophobicContact CD2-CG 4.46Å; F184-E188 HydrophobicContact CE1-CG 3.81Å; F184-E188 HydrophobicContact CE2-CG 3.94Å; F184-E188 HydrophobicContact CZ-CG 3.59Å; F184-E188 PolarHBondContact O-N 3.41Å; E188-K191 IonicContact OE1-NZ 3.82Å; E188-K191 PolarHBondContact OE1-NZ 2.8Å; E188-R192 WeakPolarHBondContact O-CB 3.24Å; E188-R192 WeakPolarHBondContact O-CG 3.39Å; E188-R192 PolarHBondContact O-N 3.32Å
189G91.4Very high84.8Confident35 Ų3583.5 Ų83.536%0.36144%0.44SS..Hα-helixtrans-59.1-51.9173.600000112.7M185 V186 Y187 R192 Q193M185-G189 PolarHBondContact O-N 2.86Å; V186-G189 PolarHBondContact O-N 3.5Å; Y187-G189 PolarHBondContact O-N 3.21Å; G189-R192 PolarHBondContact O-N 2.93Å; G189-Q193 PolarHBondContact O-N 3.08Å; G189-Q193 VanDerWaalsContact O-N 3.15Å
190L89.9Confident83.9Confident52 Ų5290.4 Ų90.427%0.27247%0.465SS..Hα-helixtrans-64.1-42.4178.2-70.4174000112V186 Y187 R192 Q193 L194 I210 V213V186-L190 HydrophobicContact CG1-CD1 3.88Å; V186-L190 HydrophobicContact CG1-CG 4.29Å; V186-L190 WeakPolarHBondContact O-CB 3.38Å; V186-L190 WeakPolarHBondContact O-CG 3.42Å; V186-L190 PolarHBondContact O-N 2.95Å; Y187-L190 PolarHBondContact O-N 3.32Å; L190-R192 VanDerWaalsContact C-N 3.34Å; L190-R192 PolarHBondContact O-N 2.9Å; L190-Q193 PolarHBondContact O-N 2.96Å; L190-L194 PolarHBondContact O-N 3.44Å; L190-I210 HydrophobicContact CB-CG2 3.69Å; L190-I210 HydrophobicContact CD1-CG2 4.06Å; L190-V213 HydrophobicContact CD1-CB 4.31Å; L190-V213 HydrophobicContact CD1-CG1 3.9Å
191K87.6Confident83.2Confident36 Ų3695.3 Ų95.316%0.15748%0.481CS..Hα-helixtrans-60.3-40.9176.3175.2173.3172.7-161.30112.4Y187 E188 L194 R195 L202Y187-K191 HydrophobicContact CE1-CD 3.97Å; Y187-K191 WeakPolarHBondContact O-CB 3.22Å; Y187-K191 PolarHBondContact O-N 3.36Å; E188-K191 IonicContact OE1-NZ 3.82Å; E188-K191 PolarHBondContact OE1-NZ 2.8Å; K191-L194 PolarHBondContact O-N 2.91Å; K191-R195 WeakPolarHBondContact O-CB 3.29Å; K191-R195 WeakPolarHBondContact O-CG 3.41Å; K191-R195 PolarHBondContact O-N 3.36Å; K191-L202 HydrophobicContact CD-CD1 4.21Å; K191-L202 HydrophobicContact CG-CD1 3.89Å
192R87.8Confident82.5Confident170 Ų17094.1 Ų94.164%0.64247%0.466SS*.Hα-helixtrans-65.5-40.2175.9-74.9171.5-172.6-167.60.9112.2E188 G189 L190 R196E188-R192 WeakPolarHBondContact O-CB 3.24Å; E188-R192 WeakPolarHBondContact O-CG 3.39Å; E188-R192 PolarHBondContact O-N 3.32Å; G189-R192 PolarHBondContact O-N 2.93Å; L190-R192 VanDerWaalsContact C-N 3.34Å; L190-R192 PolarHBondContact O-N 2.9Å; R192-R196 WeakPolarHBondContact O-CG 3.35Å; R192-R196 PolarHBondContact O-N 3.36Å
193Q86Confident82Confident137 Ų13795.1 Ų95.164%0.6448%0.477SS*.Hα-helixtrans-64.1-42.5176.6-73.3-178.1-2400111.8G189 L190 R196G189-Q193 PolarHBondContact O-N 3.08Å; G189-Q193 VanDerWaalsContact O-N 3.15Å; L190-Q193 PolarHBondContact O-N 2.96Å; Q193-R196 PolarHBondContact O-N 2.88Å
194L81.9Confident81.4Confident75 Ų7596.6 Ų96.639%0.39349%0.493SS..Hα-helixtrans-69.4-39.2-179.7-168.359.1000112.6L190 K191 R196 G197 A198 L202 I210L190-L194 PolarHBondContact O-N 3.44Å; K191-L194 PolarHBondContact O-N 2.91Å; L194-R196 VanDerWaalsContact C-N 3.27Å; L194-R196 PolarHBondContact O-N 3.45Å; L194-G197 PolarHBondContact O-N 2.85Å; L194-G197 VanDerWaalsContact O-N 3.14Å; L194-A198 PolarHBondContact O-N 3.13Å; L194-L202 HydrophobicContact CD2-CD2 3.49Å; L194-L202 VanDerWaalsContact CD2-CD2 3.49Å; L194-L202 HydrophobicContact CG-CD2 4.16Å; L194-I210 HydrophobicContact CD2-CD1 3.8Å
195R80.3Confident80.9Confident132 Ų13296.2 Ų96.250%0.49850%0.496SS..Hα-helixtrans-66.5-25.5175.3-75.8-179173.3-168.5-5.4113.8K191 G197 A198K191-R195 WeakPolarHBondContact O-CB 3.29Å; K191-R195 WeakPolarHBondContact O-CG 3.41Å; K191-R195 PolarHBondContact O-N 3.36Å; R195-G197 PolarHBondContact O-N 3.44Å; R195-A198 CarbonylContact O-C 3.59Å
196R75.5Confident80.5Confident229 Ų22992.2 Ų92.286%0.86448%0.476SS*.Hα-helixtrans-68.6-22.7173.5-81176.6164.9175.6-4.7112.8R192 Q193 L194R192-R196 WeakPolarHBondContact O-CG 3.35Å; R192-R196 PolarHBondContact O-N 3.36Å; Q193-R196 PolarHBondContact O-N 2.88Å; L194-R196 VanDerWaalsContact C-N 3.27Å; L194-R196 PolarHBondContact O-N 3.45Å
197G66.1Low80Confident73 Ų7392.1 Ų92.175%0.75348%0.478SS*.Hα-helixtrans-96-18.9177.300000114.9L194 R195L194-G197 PolarHBondContact O-N 2.85Å; L194-G197 VanDerWaalsContact O-N 3.14Å; R195-G197 PolarHBondContact O-N 3.44Å
198A60.8Low79.8Confident43 Ų4392.3 Ų92.336%0.35548%0.481SS..  trans-151.3123.6178.100000111.7L194 R195 R200L194-A198 PolarHBondContact O-N 3.13Å; R195-A198 CarbonylContact O-C 3.59Å; A198-R200 HydrophobicContact CB-CG 4.22Å; A198-R200 PolarHBondContact O-N 3.41Å
199S58Low79.6Confident139 Ų13995.2 Ų95.297%0.97250%0.496SS*.  trans-7749.3172.9-58.60000112.3
200R72.7Confident79.5Confident157 Ų15794.3 Ų94.359%0.59248%0.483SS*.SBendtrans-120.5153175.574.6175.3-174-172.7-0.2112A198 E206A198-R200 HydrophobicContact CB-CG 4.22Å; A198-R200 PolarHBondContact O-N 3.41Å; R200-E206 IonicContact CZ-OE1 3.74Å; R200-E206 IonicContact NE-OE1 3.99Å; R200-E206 IonicContact NH2-OE1 2.74Å; R200-E206 PolarHBondContact NH2-OE1 3.35Å
201E74.2Confident79.5Confident180 Ų18092.8 Ų92.884%0.84148%0.48SS*.PPolyproline II helixtrans-62.8142.5167.9-64.7-169.5154.400110
202L72.9Confident79.7Confident36 Ų3692.2 Ų92.219%0.18848%0.482CS..PPolyproline II helixtrans-70133.1-178.5-68.1176.8000109.6K191 L194 E206 I210K191-L202 HydrophobicContact CD-CD1 4.21Å; K191-L202 HydrophobicContact CG-CD1 3.89Å; L194-L202 HydrophobicContact CD2-CD2 3.49Å; L194-L202 VanDerWaalsContact CD2-CD2 3.49Å; L194-L202 HydrophobicContact CG-CD2 4.16Å; L202-E206 HydrophobicContact CD2-CB 4.41Å; L202-I210 HydrophobicContact CD1-CD1 4.16Å; L202-I210 HydrophobicContact CD2-CD1 4.47Å
203S82.4Confident79.9Confident61 Ų6187.4 Ų87.443%0.42747%0.472SS..PPolyproline II helixtrans-62.9149.7168.8177.30000110.4L205 E206 A207S203-L205 PolarHBondContact O-N 3.22Å; S203-L205 VanDerWaalsContact O-N 3.14Å; S203-E206 PolarHBondContact N-OE2 2.91Å; S203-E206 WeakPolarHBondContact O-CB 3.37Å; S203-E206 PolarHBondContact O-N 2.85Å; S203-A207 PolarHBondContact O-N 3.47Å
204S79.8Confident80.2Confident86 Ų8680.9 Ų80.960%0.60144%0.441SS*.Hα-helixtrans-53.9-34.6176.6-49.10000112.2F208S204-F208 WeakPolarHBondContact O-CB 3.49Å; S204-F208 PolarHBondContact O-N 2.91Å
205L80.8Confident80.7Confident120 Ų12079.9 Ų79.963%0.62843%0.433SS*.Hα-helixtrans-70.2-40.2174.9-74173.1000112.9S203 F208 I209S203-L205 PolarHBondContact O-N 3.22Å; S203-L205 VanDerWaalsContact O-N 3.14Å; L205-F208 PolarHBondContact O-N 2.86Å; L205-I209 VanDerWaalsContact O-CG1 3.28Å; L205-I209 WeakPolarHBondContact O-CG1 3.36Å; L205-I209 PolarHBondContact O-N 3.32Å
206E84.5Confident81.3Confident44 Ų4474.8 Ų74.821%0.20642%0.42CS..Hα-helixtrans-65.3-44.1176.7-67.8172.2152.700110.4R200 L202 S203 F208 I209 I210R200-E206 IonicContact CZ-OE1 3.74Å; R200-E206 IonicContact NE-OE1 3.99Å; R200-E206 IonicContact NH2-OE1 2.74Å; R200-E206 PolarHBondContact NH2-OE1 3.35Å; L202-E206 HydrophobicContact CD2-CB 4.41Å; S203-E206 PolarHBondContact N-OE2 2.91Å; S203-E206 WeakPolarHBondContact O-CB 3.37Å; S203-E206 PolarHBondContact O-N 2.85Å; E206-F208 VanDerWaalsContact C-N 3.32Å; E206-F208 PolarHBondContact O-N 3.32Å; E206-I209 PolarHBondContact O-N 3.47Å; E206-I210 WeakPolarHBondContact O-CB 3.25Å; E206-I210 WeakPolarHBondContact O-CD1 3.28Å; E206-I210 WeakPolarHBondContact O-CG1 3.01Å; E206-I210 PolarHBondContact O-N 3.34Å
207A85.2Confident82.2Confident28 Ų2866.6 Ų66.623%0.23140%0.395CS..Hα-helixtrans-61.8-40.3175.100000111.9S203 G211S203-A207 PolarHBondContact O-N 3.47Å; A207-G211 PolarHBondContact O-N 3.3Å
208F86.1Confident83.5Confident64 Ų6463.1 Ų63.128%0.28136%0.359SS..Hα-helixtrans-62-47.9174.7178.5-95.2000112S204 L205 E206 G211 A212 A284 A285S204-F208 WeakPolarHBondContact O-CB 3.49Å; S204-F208 PolarHBondContact O-N 2.91Å; L205-F208 PolarHBondContact O-N 2.86Å; E206-F208 VanDerWaalsContact C-N 3.32Å; E206-F208 PolarHBondContact O-N 3.32Å; F208-G211 PolarHBondContact O-N 2.7Å; F208-A212 WeakPolarHBondContact O-CB 3.26Å; F208-A212 PolarHBondContact O-N 2.94Å; F208-A284 HydrophobicContact CE2-CB 4.13Å; F208-A285 HydrophobicContact CZ-CB 3.88Å
209I87.9Confident85Confident102 Ų10261.1 Ų61.152%0.52334%0.343SS..Hα-helixtrans-63.9-46.7179.8-68.1166.5000110.7L205 E206 G211 A212 V213L205-I209 VanDerWaalsContact O-CG1 3.28Å; L205-I209 WeakPolarHBondContact O-CG1 3.36Å; L205-I209 PolarHBondContact O-N 3.32Å; E206-I209 PolarHBondContact O-N 3.47Å; I209-G211 VanDerWaalsContact C-N 3.29Å; I209-G211 PolarHBondContact O-N 3.01Å; I209-A212 PolarHBondContact O-N 2.63Å; I209-V213 HydrophobicContact CG2-CG2 4.43Å; I209-V213 WeakPolarHBondContact O-CG2 3.27Å; I209-V213 PolarHBondContact O-N 3.4Å
210I89.8Confident86.7Confident17 Ų1757.9 Ų57.99%0.08731%0.314CS..Hα-helixtrans-60.9-42.6177.2-65.4166.1000110.2Y187 L190 L194 L202 E206 V213 A214Y187-I210 HydrophobicContact CD2-CB 4.36Å; Y187-I210 HydrophobicContact CD2-CG2 3.61Å; Y187-I210 HydrophobicContact CE2-CB 4.25Å; Y187-I210 HydrophobicContact CE2-CG2 3.87Å; Y187-I210 HydrophobicContact CG-CG2 4.37Å; L190-I210 HydrophobicContact CB-CG2 3.69Å; L190-I210 HydrophobicContact CD1-CG2 4.06Å; L194-I210 HydrophobicContact CD2-CD1 3.8Å; L202-I210 HydrophobicContact CD1-CD1 4.16Å; L202-I210 HydrophobicContact CD2-CD1 4.47Å; E206-I210 WeakPolarHBondContact O-CB 3.25Å; E206-I210 WeakPolarHBondContact O-CD1 3.28Å; E206-I210 WeakPolarHBondContact O-CG1 3.01Å; E206-I210 PolarHBondContact O-N 3.34Å; I210-V213 PolarHBondContact O-N 3.49Å; I210-A214 WeakPolarHBondContact O-CB 3.39Å; I210-A214 PolarHBondContact O-N 2.82Å
211G90.1Very high87.6Confident19 Ų1954.9 Ų54.920%0.19631%0.312CS..Hα-helixtrans-59.6-44174.300000112.8A207 F208 I209 A214 K215A207-G211 PolarHBondContact O-N 3.3Å; F208-G211 PolarHBondContact O-N 2.7Å; I209-G211 VanDerWaalsContact C-N 3.29Å; I209-G211 PolarHBondContact O-N 3.01Å; G211-A214 PolarHBondContact O-N 3.18Å; G211-K215 WeakPolarHBondContact O-CB 3.46Å; G211-K215 PolarHBondContact O-N 3.25Å
212A90.4Very high88.4Confident25 Ų2546.6 Ų46.621%0.20727%0.274CS..Hα-helixtrans-65.3-45.3178.300000112F208 I209 K215 A216F208-A212 WeakPolarHBondContact O-CB 3.26Å; F208-A212 PolarHBondContact O-N 2.94Å; I209-A212 PolarHBondContact O-N 2.63Å; A212-K215 PolarHBondContact O-N 3.22Å; A212-A216 WeakPolarHBondContact O-CB 3.27Å; A212-A216 PolarHBondContact O-N 2.91Å
213V91.8Very high89.3Confident69 Ų6944.9 Ų44.942%0.41827%0.265SS..Hα-helixtrans-63.1-46.9175.9174.10000110.5L190 I209 I210 K215 A216 V217L190-V213 HydrophobicContact CD1-CB 4.31Å; L190-V213 HydrophobicContact CD1-CG1 3.9Å; I209-V213 HydrophobicContact CG2-CG2 4.43Å; I209-V213 WeakPolarHBondContact O-CG2 3.27Å; I209-V213 PolarHBondContact O-N 3.4Å; I210-V213 PolarHBondContact O-N 3.49Å; V213-K215 VanDerWaalsContact C-N 3.28Å; V213-K215 PolarHBondContact O-N 2.98Å; V213-A216 WeakPolarHBondContact O-CB 3.26Å; V213-A216 PolarHBondContact O-N 3.02Å; V213-A216 VanDerWaalsContact O-N 3.13Å; V213-V217 HydrophobicContact CG1-CG2 4.42Å; V213-V217 WeakPolarHBondContact O-CG2 3.1Å; V213-V217 PolarHBondContact O-N 3.42Å
214A92.9Very high89.7Confident0 Ų043.2 Ų43.20%025%0.253CS..Hα-helixtrans-59.1-41.1176.800000111.9Q183 V186 I210 G211 A218Q183-A214 HydrophobicContact CG-CB 4.24Å; V186-A214 HydrophobicContact CB-CB 4.04Å; V186-A214 HydrophobicContact CG1-CB 3.9Å; I210-A214 WeakPolarHBondContact O-CB 3.39Å; I210-A214 PolarHBondContact O-N 2.82Å; G211-A214 PolarHBondContact O-N 3.18Å; A214-A218 WeakPolarHBondContact O-CB 3.42Å; A214-A218 PolarHBondContact O-N 3.48Å
215K92.4Very high90.2Very high53 Ų5341.1 Ų41.123%0.2324%0.235CC..Hα-helixtrans-66.6-39.8175.8-170.865.1178.8176.70112.2N179 Q183 G211 A212 V213 T219 T280N179-K215 PolarHBondContact OD1-NZ 3.26Å; Q183-K215 VanDerWaalsContact CD-CD 3.5Å; Q183-K215 HydrophobicContact CG-CD 4.37Å; G211-K215 WeakPolarHBondContact O-CB 3.46Å; G211-K215 PolarHBondContact O-N 3.25Å; A212-K215 PolarHBondContact O-N 3.22Å; V213-K215 VanDerWaalsContact C-N 3.28Å; V213-K215 PolarHBondContact O-N 2.98Å; K215-T219 VanDerWaalsContact O-CB 3.22Å; K215-T219 WeakPolarHBondContact O-CB 3.23Å; K215-T219 PolarHBondContact O-N 2.71Å; K215-T219 PolarHBondContact O-OG1 2.87Å; K215-T280 HydrophobicContact CG-CG2 3.58Å
216A93.3Very high90.7Very high26 Ų2636.4 Ų36.422%0.21521%0.209CC..Hα-helixtrans-62.7-49.7177.200000111A212 V213 A218 T219 I220 L277A212-A216 WeakPolarHBondContact O-CB 3.27Å; A212-A216 PolarHBondContact O-N 2.91Å; V213-A216 WeakPolarHBondContact O-CB 3.26Å; V213-A216 PolarHBondContact O-N 3.02Å; V213-A216 VanDerWaalsContact O-N 3.13Å; A216-A218 PolarHBondContact O-N 2.84Å; A216-T219 WeakPolarHBondContact O-CB 3.24Å; A216-T219 PolarHBondContact O-N 3.29Å; A216-T219 VanDerWaalsContact O-N 3.15Å; A216-I220 VanDerWaalsContact O-CG1 3.25Å; A216-I220 WeakPolarHBondContact O-CG1 3.35Å; A216-I220 PolarHBondContact O-N 3.5Å; A216-L277 HydrophobicContact CB-CD2 3.84Å
217V93.6Very high90.9Very high57 Ų5734.3 Ų34.335%0.34520%0.2SC..Hα-helixtrans-59-49.8177.7174.80000111V186 V213 T219 I220 V221V186-V217 HydrophobicContact CG1-CB 4.35Å; V186-V217 HydrophobicContact CG1-CG2 4.48Å; V186-V217 HydrophobicContact CG2-CB 4.44Å; V186-V217 HydrophobicContact CG2-CG1 3.95Å; V213-V217 HydrophobicContact CG1-CG2 4.42Å; V213-V217 WeakPolarHBondContact O-CG2 3.1Å; V213-V217 PolarHBondContact O-N 3.42Å; V217-T219 VanDerWaalsContact C-N 3.27Å; V217-T219 PolarHBondContact O-N 3.49Å; V217-I220 PolarHBondContact O-N 3.45Å; V217-V221 WeakPolarHBondContact O-CG2 3.31Å; V217-V221 PolarHBondContact O-N 2.86Å
218A93.3Very high91.1Very high0 Ų033 Ų330%019%0.189CC..Hα-helixtrans-59.9-39.4177.200000112N179 I182 Q183 A214 A216 T222N179-A218 PolarHBondContact ND2-O 3Å; I182-A218 HydrophobicContact CB-CB 4.18Å; I182-A218 HydrophobicContact CG2-CB 3.9Å; Q183-A218 HydrophobicContact CB-CB 3.85Å; A214-A218 WeakPolarHBondContact O-CB 3.42Å; A214-A218 PolarHBondContact O-N 3.48Å; A216-A218 PolarHBondContact O-N 2.84Å; A218-T222 WeakPolarHBondContact O-CB 3.32Å; A218-T222 WeakPolarHBondContact O-CG2 3.17Å; A218-T222 PolarHBondContact O-N 3.37Å; A218-T222 VanDerWaalsContact O-N 3.09Å; A218-T222 PolarHBondContact O-OG1 2.94Å
219T92.6Very high91.2Very high1 Ų131.3 Ų31.31%0.00618%0.182CC..Hα-helixtrans-65.7-44.7177.2-60.40000111.3K215 A216 V217 T222 Y223 L273 K276 L277K215-T219 VanDerWaalsContact O-CB 3.22Å; K215-T219 WeakPolarHBondContact O-CB 3.23Å; K215-T219 PolarHBondContact O-N 2.71Å; K215-T219 PolarHBondContact O-OG1 2.87Å; A216-T219 WeakPolarHBondContact O-CB 3.24Å; A216-T219 PolarHBondContact O-N 3.29Å; A216-T219 VanDerWaalsContact O-N 3.15Å; V217-T219 VanDerWaalsContact C-N 3.27Å; V217-T219 PolarHBondContact O-N 3.49Å; T219-T222 CarbonylContact O-C 3.54Å; T219-T222 PolarHBondContact O-N 3.08Å; T219-T222 PolarHBondContact O-OG1 2.91Å; T219-Y223 HydrophobicContact CG2-CD2 4.14Å; T219-Y223 VanDerWaalsContact O-CA 3.29Å; T219-Y223 WeakPolarHBondContact O-CA 3.47Å; T219-Y223 WeakPolarHBondContact O-CB 3.35Å; T219-Y223 PolarHBondContact O-N 2.98Å; T219-L273 HydrophobicContact CG2-CD1 4.32Å; T219-K276 HydrophobicContact CG2-CG 3.93Å; T219-L277 HydrophobicContact CG2-CD2 4.22Å
220I93.3Very high91.2Very high71 Ų7126.9 Ų26.936%0.36416%0.16SC..Hα-helixtrans-60.5-50.1178.5-69.1162.9000110.6A216 V217 T222 Y223 F270 L273A216-I220 VanDerWaalsContact O-CG1 3.25Å; A216-I220 WeakPolarHBondContact O-CG1 3.35Å; A216-I220 PolarHBondContact O-N 3.5Å; V217-I220 PolarHBondContact O-N 3.45Å; I220-T222 VanDerWaalsContact C-N 3.28Å; I220-T222 PolarHBondContact O-N 2.92Å; I220-Y223 WeakPolarHBondContact O-CB 3.47Å; I220-Y223 PolarHBondContact O-N 2.63Å; I220-F270 HydrophobicContact CG2-CE1 4.37Å; I220-L273 HydrophobicContact CG1-CD1 4.13Å; I220-L273 HydrophobicContact CG1-CD2 4.13Å
221V92.4Very high91Very high93 Ų9326.3 Ų26.356%0.56416%0.157SC*.Hα-helixtrans-59.7-41.6-179.8171.80000111.4I182 V217I182-V221 HydrophobicContact CD1-CG1 4.24Å; V217-V221 WeakPolarHBondContact O-CG2 3.31Å; V217-V221 PolarHBondContact O-N 2.86Å
222T92.1Very high90.8Very high7 Ų726.6 Ų26.64%0.04315%0.154CC..Hα-helixtrans-90.6-1.7-177.861.80000113.7L176 N179 I182 A218 T219 I220 L225 Q226L176-T222 HydrophobicContact CD2-CG2 4.33Å; N179-T222 HydrophobicContact CB-CG2 4.21Å; N179-T222 PolarHBondContact ND2-OG1 3.17Å; I182-T222 HydrophobicContact CD1-CG2 3.84Å; A218-T222 WeakPolarHBondContact O-CB 3.32Å; A218-T222 WeakPolarHBondContact O-CG2 3.17Å; A218-T222 PolarHBondContact O-N 3.37Å; A218-T222 VanDerWaalsContact O-N 3.09Å; A218-T222 PolarHBondContact O-OG1 2.94Å; T219-T222 CarbonylContact O-C 3.54Å; T219-T222 PolarHBondContact O-N 3.08Å; T219-T222 PolarHBondContact O-OG1 2.91Å; I220-T222 VanDerWaalsContact C-N 3.28Å; I220-T222 PolarHBondContact O-N 2.92Å; T222-L225 WeakPolarHBondContact O-CB 3.29Å; T222-L225 PolarHBondContact O-N 2.95Å; T222-L225 VanDerWaalsContact O-N 3.16Å; T222-Q226 WeakPolarHBondContact O-CG 3.15Å; T222-Q226 PolarHBondContact O-N 2.9Å; T222-Q226 VanDerWaalsContact O-N 3.08Å; T222-Q226 PolarHBondContact OG1-NE2 3.3Å
223Y91.4Very high90.6Very high0 Ų026.2 Ų26.20%015%0.147CC..Hα-helixtrans-62-42.7-170.5-161.2-98.5000113.6Q39 T219 I220 L225 Q226 T227 L269 F270 K271 G272 L273 K276Q39-Y223 PolarHBondContact NE2-OH 3.43Å; T219-Y223 HydrophobicContact CG2-CD2 4.14Å; T219-Y223 VanDerWaalsContact O-CA 3.29Å; T219-Y223 WeakPolarHBondContact O-CA 3.47Å; T219-Y223 WeakPolarHBondContact O-CB 3.35Å; T219-Y223 PolarHBondContact O-N 2.98Å; I220-Y223 WeakPolarHBondContact O-CB 3.47Å; I220-Y223 PolarHBondContact O-N 2.63Å; Y223-L225 PolarHBondContact O-N 2.87Å; Y223-Q226 WeakPolarHBondContact O-CB 3.19Å; Y223-Q226 PolarHBondContact O-N 2.92Å; Y223-T227 WeakPolarHBondContact CE1-OG1 3.15Å; Y223-T227 PolarHBondContact O-N 3.21Å; Y223-T227 PolarHBondContact O-OG1 3.2Å; Y223-L269 VanDerWaalsContact CD1-O 3.24Å; Y223-L269 WeakPolarHBondContact CD1-O 3.48Å; Y223-L269 WeakPolarHBondContact CE1-O 3.11Å; Y223-F270 HydrophobicContact CD1-CB 4.42Å; Y223-F270 AromaticContact CD1-CD1 3.83Å; Y223-F270 HydrophobicContact CD1-CD1 3.83Å; Y223-F270 HydrophobicContact CD1-CG 4.44Å; Y223-F270 HydrophobicContact CG-CD1 4.25Å; Y223-K271 WeakPolarHBondContact CE1-O 3.4Å; Y223-K271 PolarHBondContact OH-O 2.86Å; Y223-G272 WeakPolarHBondContact OH-CA 3.32Å; Y223-G272 PolarHBondContact OH-O 2.98Å; Y223-L273 HydrophobicContact CD1-CB 4.23Å; Y223-L273 HydrophobicContact CD1-CD1 4.32Å; Y223-L273 HydrophobicContact CD2-CB 4.37Å; Y223-L273 HydrophobicContact CD2-CD1 3.42Å; Y223-L273 VanDerWaalsContact CD2-CD1 3.42Å; Y223-L273 HydrophobicContact CD2-CG 4.49Å; Y223-L273 HydrophobicContact CE1-CB 3.96Å; Y223-L273 HydrophobicContact CE2-CB 4.1Å; Y223-L273 HydrophobicContact CE2-CD1 3.84Å; Y223-L273 HydrophobicContact CG-CB 4.42Å; Y223-L273 HydrophobicContact CG-CD1 3.7Å; Y223-L273 VanDerWaalsContact CZ-CA 3.48Å; Y223-L273 PolarHBondContact OH-N 3.5Å; Y223-K276 HydrophobicContact CE2-CB 3.97Å; Y223-K276 HydrophobicContact CE2-CG 4.23Å
224P90.6Very high90.2Very high26 Ų2623.1 Ų23.117%0.16913%0.128CC..Hα-helixtrans-55.7-40.2176.4-26.436.2000112.4T227 M228 L257 L269 F270P224-T227 PolarHBondContact O-N 2.75Å; P224-M228 WeakPolarHBondContact O-CG 3.45Å; P224-M228 PolarHBondContact O-N 3.15Å; P224-L257 HydrophobicContact CB-CD2 4.02Å; P224-L269 HydrophobicContact CB-CB 4.41Å; P224-L269 HydrophobicContact CG-CB 4.47Å; P224-F270 HydrophobicContact CG-CE1 4.27Å; P224-F270 HydrophobicContact CG-CZ 4.02Å
225L90.6Very high89.1Confident42 Ų4224.1 Ų24.122%0.2214%0.139CC..Hα-helixtrans-67.9-39.5175.6-68.3174.9000112.2L175 L176 T222 Y223 T227 M228 Q229 L253L175-L225 HydrophobicContact CB-CD1 4.03Å; L175-L225 HydrophobicContact CD1-CD1 4.27Å; L175-L225 HydrophobicContact CD1-CD2 4.18Å; L176-L225 HydrophobicContact CD1-CB 4.28Å; L176-L225 HydrophobicContact CD2-CB 4.33Å; L176-L225 HydrophobicContact CG-CB 4.21Å; T222-L225 WeakPolarHBondContact O-CB 3.29Å; T222-L225 PolarHBondContact O-N 2.95Å; T222-L225 VanDerWaalsContact O-N 3.16Å; Y223-L225 PolarHBondContact O-N 2.87Å; L225-T227 VanDerWaalsContact C-N 3.29Å; L225-T227 PolarHBondContact O-N 2.94Å; L225-M228 PolarHBondContact O-N 2.84Å; L225-Q229 WeakPolarHBondContact O-CB 3.47Å; L225-Q229 PolarHBondContact O-N 3.25Å; L225-L253 HydrophobicContact CD2-CD1 4.4Å
226Q90.9Very high87.7Confident20 Ų2022.9 Ų22.99%0.09313%0.134CC..Hα-helixtrans-62.6-39.7175.8-64.3-177.136.300111.6L176 T222 Y223 Q229 S230L176-Q226 HydrophobicContact CD1-CB 4.47Å; L176-Q226 HydrophobicContact CD1-CG 3.88Å; L176-Q226 HydrophobicContact CD2-CG 3.5Å; L176-Q226 VanDerWaalsContact CD2-CG 3.5Å; L176-Q226 HydrophobicContact CG-CG 4.39Å; T222-Q226 WeakPolarHBondContact O-CG 3.15Å; T222-Q226 PolarHBondContact O-N 2.9Å; T222-Q226 VanDerWaalsContact O-N 3.08Å; T222-Q226 PolarHBondContact OG1-NE2 3.3Å; Y223-Q226 WeakPolarHBondContact O-CB 3.19Å; Y223-Q226 PolarHBondContact O-N 2.92Å; Q226-Q229 PolarHBondContact O-N 3.43Å; Q226-S230 PolarHBondContact O-N 2.9Å; Q226-S230 PolarHBondContact O-OG 3.03Å
227T88.7Confident86Confident0 Ų024.6 Ų24.60%014%0.141CC..Hα-helixtrans-63-48.8176.2-63.80000110.8Q39 Y223 P224 L225 Q229 S230 V231 L269Q39-T227 HydrophobicContact CB-CG2 4.38Å; Q39-T227 HydrophobicContact CG-CG2 4.3Å; Y223-T227 WeakPolarHBondContact CE1-OG1 3.15Å; Y223-T227 PolarHBondContact O-N 3.21Å; Y223-T227 PolarHBondContact O-OG1 3.2Å; P224-T227 PolarHBondContact O-N 2.75Å; L225-T227 VanDerWaalsContact C-N 3.29Å; L225-T227 PolarHBondContact O-N 2.94Å; T227-Q229 VanDerWaalsContact C-N 3.32Å; T227-Q229 PolarHBondContact O-N 2.66Å; T227-S230 PolarHBondContact O-N 3.43Å; T227-V231 WeakPolarHBondContact O-CG2 3.13Å; T227-V231 PolarHBondContact O-N 3.34Å; T227-V231 VanDerWaalsContact O-N 3.17Å; T227-L269 PolarHBondContact OG1-O 2.92Å
228M88Confident83.9Confident1 Ų128.8 Ų28.81%0.00516%0.162CC..Hα-helixtrans-61.6-39.5175.8-65.1-59.298.100112.4P224 L225 S230 V231 L232 L253 L256 L257 L269P224-M228 WeakPolarHBondContact O-CG 3.45Å; P224-M228 PolarHBondContact O-N 3.15Å; L225-M228 PolarHBondContact O-N 2.84Å; M228-S230 PolarHBondContact O-N 3.19Å; M228-V231 PolarHBondContact O-N 3.21Å; M228-L232 WeakPolarHBondContact O-CB 3.36Å; M228-L232 WeakPolarHBondContact O-CG 3.38Å; M228-L232 PolarHBondContact O-N 2.84Å; M228-L253 HydrophobicContact CB-CD2 3.89Å; M228-L253 HydrophobicContact CG-CD2 4.43Å; M228-L256 HydrophobicContact SD-CB 3.56Å; M228-L256 VanDerWaalsContact SD-CB 3.56Å; M228-L257 HydrophobicContact CE-CD2 4.22Å; M228-L257 HydrophobicContact CG-CD2 3.48Å; M228-L257 VanDerWaalsContact CG-CD2 3.48Å; M228-L257 HydrophobicContact CG-CG 3.8Å; M228-L257 HydrophobicContact SD-CD2 3.87Å; M228-L257 HydrophobicContact SD-CG 4.03Å; M228-L269 HydrophobicContact CE-CD2 4.35Å
229Q89.1Confident81.8Confident29 Ų2931.6 Ų31.614%0.13618%0.179CC..Hα-helixtrans-58.8-48.1176.5-176.7-172.6-67.200111.6P172 S173 L176 L225 Q226 T227 V231 L232 R233P172-Q229 HydrophobicContact CB-CB 4.13Å; P172-Q229 HydrophobicContact CG-CB 4.06Å; P172-Q229 HydrophobicContact CG-CG 4.38Å; S173-Q229 PolarHBondContact OG-OE1 3.33Å; L176-Q229 HydrophobicContact CD1-CB 4.25Å; L225-Q229 WeakPolarHBondContact O-CB 3.47Å; L225-Q229 PolarHBondContact O-N 3.25Å; Q226-Q229 PolarHBondContact O-N 3.43Å; T227-Q229 VanDerWaalsContact C-N 3.32Å; T227-Q229 PolarHBondContact O-N 2.66Å; Q229-V231 VanDerWaalsContact C-N 3.32Å; Q229-V231 PolarHBondContact O-N 3.17Å; Q229-L232 PolarHBondContact O-N 2.97Å; Q229-R233 HydrophobicContact CG-CG 4.44Å; Q229-R233 VanDerWaalsContact NE2-NH1 3.11Å; Q229-R233 VanDerWaalsContact NE2-NH2 3.18Å; Q229-R233 WeakPolarHBondContact O-CB 3.2Å; Q229-R233 VanDerWaalsContact O-CG 3.24Å; Q229-R233 WeakPolarHBondContact O-CG 3.2Å; Q229-R233 PolarHBondContact O-N 3.05Å
230S88.2Confident79.6Confident8 Ų837.2 Ų37.26%0.05622%0.215CC..Hα-helixtrans-62.8-40.3179.8-63.70000112.1Q39 Q226 T227 M228 F234Q39-S230 PolarHBondContact OE1-OG 2.93Å; Q226-S230 PolarHBondContact O-N 2.9Å; Q226-S230 PolarHBondContact O-OG 3.03Å; T227-S230 PolarHBondContact O-N 3.43Å; M228-S230 PolarHBondContact O-N 3.19Å; S230-F234 PolarHBondContact O-N 3.18Å
231V86.3Confident77.3Confident5 Ų541 Ų413%0.0324%0.242CC..Hα-helixtrans-65.8-47.6178.7175.40000111.2Q39 T227 M228 Q229 F234 G235 V237Q39-V231 WeakPolarHBondContact O-CG2 3.32Å; T227-V231 WeakPolarHBondContact O-CG2 3.13Å; T227-V231 PolarHBondContact O-N 3.34Å; T227-V231 VanDerWaalsContact O-N 3.17Å; M228-V231 PolarHBondContact O-N 3.21Å; Q229-V231 VanDerWaalsContact C-N 3.32Å; Q229-V231 PolarHBondContact O-N 3.17Å; V231-F234 PolarHBondContact O-N 3.41Å; V231-G235 PolarHBondContact O-N 3.16Å; V231-G235 VanDerWaalsContact O-N 3.16Å; V231-V237 HydrophobicContact CG1-CG2 3.59Å
232L85.7Confident75.1Confident25 Ų2544.5 Ų44.513%0.13125%0.252CS..Hα-helixtrans-63.5-42.3177.4-75.1173000111.9N168 P172 M228 Q229 F234 G235 L253 L256N168-L232 VanDerWaalsContact CB-O 3.27Å; N168-L232 WeakPolarHBondContact CB-O 3.2Å; P172-L232 HydrophobicContact CG-CD1 4.03Å; M228-L232 WeakPolarHBondContact O-CB 3.36Å; M228-L232 WeakPolarHBondContact O-CG 3.38Å; M228-L232 PolarHBondContact O-N 2.84Å; Q229-L232 PolarHBondContact O-N 2.97Å; L232-F234 VanDerWaalsContact C-N 3.27Å; L232-F234 PolarHBondContact O-N 2.7Å; L232-G235 WeakPolarHBondContact O-CA 3.5Å; L232-G235 PolarHBondContact O-N 3.25Å; L232-G235 VanDerWaalsContact O-N 3.07Å; L232-L253 HydrophobicContact CD1-CD2 3.51Å; L232-L256 HydrophobicContact CD2-CD1 3.68Å; L232-L256 HydrophobicContact CG-CD1 4.09Å
233R86.1Confident73Confident18 Ų1853.2 Ų53.27%0.06829%0.289CS..Hα-helixtrans-63.6-33.1177.2-74.8177.5179.3-171.4-1.5112.6V125 T128 R129 N168 S173 Q229 G235V125-R233 HydrophobicContact CG2-CB 4.26Å; V125-R233 HydrophobicContact CG2-CG 3.99Å; T128-R233 HydrophobicContact CG2-CB 4.09Å; R129-R233 PolarHBondContact NE-O 3.1Å; N168-R233 WeakPolarHBondContact O-CG 3.27Å; S173-R233 PolarHBondContact OG-NH2 2.81Å; Q229-R233 HydrophobicContact CG-CG 4.44Å; Q229-R233 VanDerWaalsContact NE2-NH1 3.11Å; Q229-R233 VanDerWaalsContact NE2-NH2 3.18Å; Q229-R233 WeakPolarHBondContact O-CB 3.2Å; Q229-R233 VanDerWaalsContact O-CG 3.24Å; Q229-R233 WeakPolarHBondContact O-CG 3.2Å; Q229-R233 PolarHBondContact O-N 3.05Å; R233-G235 VanDerWaalsContact C-N 3.33Å
234F83.4Confident71.1Confident4 Ų458.7 Ų58.72%0.01833%0.328CS..Hα-helixtrans-66.9-37.2173.1-177.1-117.2000111.8V40 T128 R129 L132 F137 I142 S230 V231 L232 Q236V40-F234 HydrophobicContact CG1-CB 4.25Å; V40-F234 HydrophobicContact CG1-CD1 3.36Å; V40-F234 HydrophobicContact CG1-CE1 3.74Å; V40-F234 HydrophobicContact CG1-CG 3.82Å; V40-F234 HydrophobicContact CG1-CZ 4.49Å; V40-F234 HydrophobicContact CG2-CB 4.24Å; T128-F234 HydrophobicContact CG2-CB 4.35Å; R129-F234 HydrophobicContact CG-CD2 4.49Å; R129-F234 PolarHBondContact NE-O 3Å; L132-F234 HydrophobicContact CB-CD2 3.82Å; L132-F234 HydrophobicContact CB-CE2 3.61Å; L132-F234 HydrophobicContact CD1-CB 4.05Å; L132-F234 HydrophobicContact CD1-CD2 3.36Å; L132-F234 HydrophobicContact CD1-CE2 3.94Å; L132-F234 HydrophobicContact CD1-CG 3.81Å; L132-F234 HydrophobicContact CG-CD2 4.24Å; L132-F234 HydrophobicContact CG-CE2 4.42Å; F137-F234 HydrophobicContact CE2-CZ 4.03Å; F137-F234 HydrophobicContact CZ-CE2 4.31Å; F137-F234 AromaticContact CZ-CZ 3.98Å; F137-F234 HydrophobicContact CZ-CZ 3.98Å; I142-F234 HydrophobicContact CD1-CE1 3.98Å; I142-F234 HydrophobicContact CG1-CE1 4.14Å; I142-F234 HydrophobicContact CG2-CE1 3.7Å; I142-F234 HydrophobicContact CG2-CZ 3.65Å; S230-F234 PolarHBondContact O-N 3.18Å; V231-F234 PolarHBondContact O-N 3.41Å; L232-F234 VanDerWaalsContact C-N 3.27Å; L232-F234 PolarHBondContact O-N 2.7Å; F234-Q236 VanDerWaalsContact C-N 3.29Å; F234-Q236 HydrophobicContact CD1-CB 3.96Å; F234-Q236 HydrophobicContact CD1-CG 4.16Å; F234-Q236 HydrophobicContact CE1-CB 3.66Å; F234-Q236 HydrophobicContact CE1-CG 3.75Å; F234-Q236 HydrophobicContact CZ-CB 4.4Å; F234-Q236 HydrophobicContact CZ-CG 4.01Å; F234-Q236 PolarHBondContact O-N 3.15Å
235G68.6Low69.7Low21 Ų2161.5 Ų61.522%0.21634%0.344CS..  trans73.69.7162.700000116.4V231 L232 R233V231-G235 PolarHBondContact O-N 3.16Å; V231-G235 VanDerWaalsContact O-N 3.16Å; L232-G235 WeakPolarHBondContact O-CA 3.5Å; L232-G235 PolarHBondContact O-N 3.25Å; L232-G235 VanDerWaalsContact O-N 3.07Å; R233-G235 VanDerWaalsContact C-N 3.33Å
236Q64.3Low68.3Low27 Ų2765.4 Ų65.413%0.12637%0.365CS..  trans-96.511.8175.6-61-160.1-5.500114.2I142 R143 F234I142-Q236 VanDerWaalsContact CA-OE1 3.32Å; R143-Q236 PolarHBondContact O-NE2 2.97Å; R143-Q236 PolarHBondContact O-OE1 3.28Å; R143-Q236 VanDerWaalsContact O-OE1 3.12Å; F234-Q236 VanDerWaalsContact C-N 3.29Å; F234-Q236 HydrophobicContact CD1-CB 3.96Å; F234-Q236 HydrophobicContact CD1-CG 4.16Å; F234-Q236 HydrophobicContact CE1-CB 3.66Å; F234-Q236 HydrophobicContact CE1-CG 3.75Å; F234-Q236 HydrophobicContact CZ-CB 4.4Å; F234-Q236 HydrophobicContact CZ-CG 4.01Å; F234-Q236 PolarHBondContact O-N 3.15Å
237V57Low67Low61 Ų6170.2 Ų70.237%0.3739%0.391SS..SBendtrans-86.5116.5170.3-175.90000106.9V231 T239 L256V231-V237 HydrophobicContact CG1-CG2 3.59Å; V237-T239 PolarHBondContact O-N 3.33Å; V237-T239 PolarHBondContact O-OG1 3.13Å; V237-T239 VanDerWaalsContact O-OG1 3.06Å; V237-L256 HydrophobicContact CG1-CD2 4.28Å
238N49.8Very low66.1Low146 Ų14671.3 Ų71.378%0.78140%0.398SS*.  trans-54.588174.4-72.2-30.9000109.7
239T49.9Very low65.4Low59 Ų5973 Ų7336%0.36241%0.41SS..  trans-102124.717122.10000105.6V237 T241 T252V237-T239 PolarHBondContact O-N 3.33Å; V237-T239 PolarHBondContact O-OG1 3.13Å; V237-T239 VanDerWaalsContact O-OG1 3.06Å; T239-T241 PolarHBondContact O-N 3.23Å; T239-T241 VanDerWaalsContact O-N 3.11Å; T239-T252 HydrophobicContact CG2-CG2 3.9Å
240P45.3Very low64.7Low119 Ų11975.5 Ų75.577%0.77342%0.424SS*.  trans-58.3122.1178.421.4-29000108.3E242P240-E242 PolarHBondContact O-N 3Å
241T45.6Very low64.2Low151 Ų15181.5 Ų81.593%0.92645%0.451SS*.  trans-70.568.6-176.5-37.50000110.1T239T239-T241 PolarHBondContact O-N 3.23Å; T239-T241 VanDerWaalsContact O-N 3.11Å
242E46.2Very low63.8Low166 Ų16683.8 Ų83.878%0.77647%0.466SS*.  trans-92.1146.3173.3-141.4177.9-170.800110.2P240 S244P240-E242 PolarHBondContact O-N 3Å; E242-S244 PolarHBondContact O-N 3.45Å
243K47.6Very low63.7Low189 Ų18983 Ų8382%0.82246%0.461SS*.  trans-48.8133-171.2-74.4174.1176.51750111.7T245 S248K243-T245 VanDerWaalsContact C-N 3.34Å; K243-T245 PolarHBondContact O-N 3.25Å; K243-S248 PolarHBondContact O-OG 2.92Å; K243-S248 VanDerWaalsContact O-OG 3.13Å
244S52.3Low63.5Low115 Ų11588.3 Ų88.380%0.80449%0.487SS*.  trans-73.375.5-169.859.10000113E242E242-S244 PolarHBondContact O-N 3.45Å
245T60.1Low63.5Low85 Ų8589.3 Ų89.352%0.52150%0.499SS..  trans-85.8148.1165.4-41.20000108.7K243 L247 S248 S249K243-T245 VanDerWaalsContact C-N 3.34Å; K243-T245 PolarHBondContact O-N 3.25Å; T245-L247 PolarHBondContact O-N 3.1Å; T245-L247 VanDerWaalsContact O-N 3.17Å; T245-S248 PolarHBondContact N-OG 3.2Å; T245-S248 VanDerWaalsContact N-OG 3.11Å; T245-S248 PolarHBondContact O-N 3.45Å; T245-S248 VanDerWaalsContact O-N 3.07Å; T245-S248 PolarHBondContact O-OG 3.23Å; T245-S249 PolarHBondContact O-N 3.26Å; T245-S249 PolarHBondContact O-OG 2.98Å
246L60.8Low64Low124 Ų12489.7 Ų89.765%0.64950%0.495SS*.Hα-helixtrans-57.1-32.9177.2-70.1-177000112.3F171 S249 L250F171-L246 HydrophobicContact CD2-CD2 4.27Å; L246-S249 WeakPolarHBondContact O-CB 3.47Å; L246-S249 PolarHBondContact O-N 2.93Å; L246-L250 PolarHBondContact O-N 3.48Å
247L63.9Low65Low121 Ų12190.5 Ų90.563%0.63450%0.5SS*.Hα-helixtrans-66.2-41.3175.6-66.4175000112.6T245 S249 L250 Q251T245-L247 PolarHBondContact O-N 3.1Å; T245-L247 VanDerWaalsContact O-N 3.17Å; L247-S249 VanDerWaalsContact C-N 3.31Å; L247-S249 PolarHBondContact O-N 3.25Å; L247-L250 PolarHBondContact O-N 2.99Å; L247-Q251 WeakPolarHBondContact O-CG 3.29Å; L247-Q251 PolarHBondContact O-N 3.28Å
248S69.4Low66.3Low23 Ų2390.4 Ų90.416%0.16150%0.5CS..Hα-helixtrans-70-31.5176.3590000111.6K243 T245 Q251 T252K243-S248 PolarHBondContact O-OG 2.92Å; K243-S248 VanDerWaalsContact O-OG 3.13Å; T245-S248 PolarHBondContact N-OG 3.2Å; T245-S248 VanDerWaalsContact N-OG 3.11Å; T245-S248 PolarHBondContact O-N 3.45Å; T245-S248 VanDerWaalsContact O-N 3.07Å; T245-S248 PolarHBondContact O-OG 3.23Å; S248-Q251 PolarHBondContact O-N 3.38Å; S248-T252 VanDerWaalsContact O-CB 3.3Å; S248-T252 WeakPolarHBondContact O-CB 3.42Å; S248-T252 PolarHBondContact O-N 3.45Å; S248-T252 PolarHBondContact O-OG1 2.96Å
249S73.6Confident67.9Low36 Ų3687.8 Ų87.825%0.25249%0.486SS..Hα-helixtrans-64.6-40.8172.3-610000112.3T245 L246 L247 T252 L253T245-S249 PolarHBondContact O-N 3.26Å; T245-S249 PolarHBondContact O-OG 2.98Å; L246-S249 WeakPolarHBondContact O-CB 3.47Å; L246-S249 PolarHBondContact O-N 2.93Å; L247-S249 VanDerWaalsContact C-N 3.31Å; L247-S249 PolarHBondContact O-N 3.25Å; S249-T252 PolarHBondContact O-N 2.99Å; S249-L253 PolarHBondContact O-N 3.25Å
250L75.5Confident69.4Low83 Ų8385.3 Ų85.344%0.43547%0.47SS..Hα-helixtrans-65.3-46.7174.2-86171000112.1F171 L246 L247 T252 L253 Q254F171-L250 HydrophobicContact CE1-CD2 3.37Å; F171-L250 HydrophobicContact CE1-CG 3.77Å; F171-L250 HydrophobicContact CE2-CG 4.35Å; F171-L250 HydrophobicContact CZ-CD1 4.24Å; F171-L250 HydrophobicContact CZ-CD2 3.37Å; F171-L250 HydrophobicContact CZ-CG 3.53Å; L246-L250 PolarHBondContact O-N 3.48Å; L247-L250 PolarHBondContact O-N 2.99Å; L250-T252 VanDerWaalsContact C-N 3.29Å; L250-T252 PolarHBondContact O-N 3.49Å; L250-L253 PolarHBondContact O-N 3.2Å; L250-Q254 WeakPolarHBondContact O-CB 3.39Å; L250-Q254 PolarHBondContact O-N 3.15Å
251Q76.9Confident71.3Confident133 Ų13381.1 Ų81.162%0.62145%0.446SS*.Hα-helixtrans-62-38.5176.4-72.6171.3-21.500111.7L247 S248 Q254 G255L247-Q251 WeakPolarHBondContact O-CG 3.29Å; L247-Q251 PolarHBondContact O-N 3.28Å; S248-Q251 PolarHBondContact O-N 3.38Å; Q251-Q254 PolarHBondContact O-N 3.37Å; Q251-G255 PolarHBondContact O-N 3.4Å
252T78.6Confident73.1Confident54 Ų5483.8 Ų83.833%0.33144%0.439SS..Hα-helixtrans-65.3-46.5175.7-58.10000111T239 S248 S249 L250 G255 L256T239-T252 HydrophobicContact CG2-CG2 3.9Å; S248-T252 VanDerWaalsContact O-CB 3.3Å; S248-T252 WeakPolarHBondContact O-CB 3.42Å; S248-T252 PolarHBondContact O-N 3.45Å; S248-T252 PolarHBondContact O-OG1 2.96Å; S249-T252 PolarHBondContact O-N 2.99Å; L250-T252 VanDerWaalsContact C-N 3.29Å; L250-T252 PolarHBondContact O-N 3.49Å; T252-G255 PolarHBondContact O-N 2.97Å; T252-L256 HydrophobicContact CG2-CD1 4.08Å; T252-L256 HydrophobicContact CG2-CG 4.43Å; T252-L256 WeakPolarHBondContact O-CB 3.34Å; T252-L256 VanDerWaalsContact O-CG 3.24Å; T252-L256 WeakPolarHBondContact O-CG 3.46Å; T252-L256 PolarHBondContact O-N 3.28Å
253L82.1Confident74.7Confident7 Ų783.3 Ų83.34%0.03743%0.434CS..Hα-helixtrans-60.9-46.7175.2-81.3-165.4000112.3F171 P172 L225 M228 L232 S249 L250 L256 L257F171-L253 HydrophobicContact CD1-CD1 3.39Å; F171-L253 HydrophobicContact CD1-CG 4.16Å; F171-L253 HydrophobicContact CE1-CD1 3.72Å; P172-L253 HydrophobicContact CB-CD1 4.09Å; P172-L253 HydrophobicContact CB-CD2 4.31Å; P172-L253 HydrophobicContact CG-CD1 4.49Å; P172-L253 HydrophobicContact CG-CD2 4.15Å; L225-L253 HydrophobicContact CD2-CD1 4.4Å; M228-L253 HydrophobicContact CB-CD2 3.89Å; M228-L253 HydrophobicContact CG-CD2 4.43Å; L232-L253 HydrophobicContact CD1-CD2 3.51Å; S249-L253 PolarHBondContact O-N 3.25Å; L250-L253 PolarHBondContact O-N 3.2Å; L253-L256 PolarHBondContact O-N 3.42Å; L253-L257 WeakPolarHBondContact O-CB 3.24Å; L253-L257 VanDerWaalsContact O-CG 3.29Å; L253-L257 WeakPolarHBondContact O-CG 3.41Å; L253-L257 PolarHBondContact O-N 3.14Å
254Q83.6Confident76.1Confident130 Ų13077.3 Ų77.361%0.60741%0.409SS*.Hα-helixtrans-63-44.4178.7-174.6179.4-300110.8L250 Q251 L257 V258L250-Q254 WeakPolarHBondContact O-CB 3.39Å; L250-Q254 PolarHBondContact O-N 3.15Å; Q251-Q254 PolarHBondContact O-N 3.37Å; Q254-L257 PolarHBondContact O-N 2.9Å; Q254-V258 HydrophobicContact CG-CG2 4.37Å; Q254-V258 WeakPolarHBondContact O-CB 2.99Å; Q254-V258 VanDerWaalsContact O-CG2 3.24Å; Q254-V258 WeakPolarHBondContact O-CG2 3.42Å; Q254-V258 PolarHBondContact O-N 3.37Å
255G82.2Confident77.5Confident26 Ų2673.4 Ų73.427%0.26839%0.386SS..Hα-helixtrans-59.9-45.9175.900000112.1Q251 T252 V258 N259Q251-G255 PolarHBondContact O-N 3.4Å; T252-G255 PolarHBondContact O-N 2.97Å; G255-V258 PolarHBondContact O-N 2.99Å; G255-N259 WeakPolarHBondContact O-CB 3.19Å; G255-N259 PolarHBondContact O-N 3.43Å; G255-N259 PolarHBondContact O-ND2 2.96Å
256L80.4Confident78.6Confident28 Ų2874.1 Ų74.115%0.14739%0.39CS..Hα-helixtrans-64-42.5176.2-71.5173.7000112.3M228 L232 V237 T252 L253 R260M228-L256 HydrophobicContact SD-CB 3.56Å; M228-L256 VanDerWaalsContact SD-CB 3.56Å; L232-L256 HydrophobicContact CD2-CD1 3.68Å; L232-L256 HydrophobicContact CG-CD1 4.09Å; V237-L256 HydrophobicContact CG1-CD2 4.28Å; T252-L256 HydrophobicContact CG2-CD1 4.08Å; T252-L256 HydrophobicContact CG2-CG 4.43Å; T252-L256 WeakPolarHBondContact O-CB 3.34Å; T252-L256 VanDerWaalsContact O-CG 3.24Å; T252-L256 WeakPolarHBondContact O-CG 3.46Å; T252-L256 PolarHBondContact O-N 3.28Å; L253-L256 PolarHBondContact O-N 3.42Å; L256-R260 WeakPolarHBondContact O-CB 3.41Å; L256-R260 PolarHBondContact O-N 2.93Å
257L84.1Confident79.5Confident44 Ų4471.7 Ų71.723%0.2338%0.384CS..Hα-helixtrans-61.8-48.1175.9-75.9172.1000111.4P224 M228 L253 Q254 R260 A261 L269P224-L257 HydrophobicContact CB-CD2 4.02Å; M228-L257 HydrophobicContact CE-CD2 4.22Å; M228-L257 HydrophobicContact CG-CD2 3.48Å; M228-L257 VanDerWaalsContact CG-CD2 3.48Å; M228-L257 HydrophobicContact CG-CG 3.8Å; M228-L257 HydrophobicContact SD-CD2 3.87Å; M228-L257 HydrophobicContact SD-CG 4.03Å; L253-L257 WeakPolarHBondContact O-CB 3.24Å; L253-L257 VanDerWaalsContact O-CG 3.29Å; L253-L257 WeakPolarHBondContact O-CG 3.41Å; L253-L257 PolarHBondContact O-N 3.14Å; Q254-L257 PolarHBondContact O-N 2.9Å; L257-R260 PolarHBondContact O-N 2.83Å; L257-A261 WeakPolarHBondContact O-CB 3.34Å; L257-A261 PolarHBondContact O-N 3.07Å; L257-L269 HydrophobicContact CD2-CD2 3.52Å
258V84.6Confident80.2Confident60 Ų6066 Ų6636%0.36435%0.354SS..Hα-helixtrans-66.1-43.9179.61720000110.8Q254 G255 A261 R262Q254-V258 HydrophobicContact CG-CG2 4.37Å; Q254-V258 WeakPolarHBondContact O-CB 2.99Å; Q254-V258 VanDerWaalsContact O-CG2 3.24Å; Q254-V258 WeakPolarHBondContact O-CG2 3.42Å; Q254-V258 PolarHBondContact O-N 3.37Å; G255-V258 PolarHBondContact O-N 2.99Å; V258-A261 PolarHBondContact O-N 2.99Å; V258-R262 HydrophobicContact CG1-CG 4.35Å; V258-R262 WeakPolarHBondContact O-CB 3.3Å; V258-R262 WeakPolarHBondContact O-CG 3Å; V258-R262 PolarHBondContact O-N 3.35Å
259N82.9Confident80.9Confident91 Ų9165.9 Ų65.949%0.48735%0.352SS..Hα-helixtrans-63.2-44.4178.5-72.8-17000111.3G255 R262 K263G255-N259 WeakPolarHBondContact O-CB 3.19Å; G255-N259 PolarHBondContact O-N 3.43Å; G255-N259 PolarHBondContact O-ND2 2.96Å; N259-R262 PolarHBondContact O-N 2.96Å; N259-K263 WeakPolarHBondContact O-CB 3.1Å; N259-K263 WeakPolarHBondContact O-CG 3.47Å; N259-K263 PolarHBondContact O-N 2.9Å
260R81.5Confident81.6Confident6 Ų667.3 Ų67.32%0.02335%0.353CS..Hα-helixtrans-65.7-41.8176.4-176.4170.3-75.3-152.30.5111.7Q39 E42 L256 L257 R262 K263 H264 L269Q39-R260 PolarHBondContact O-NH1 2.71Å; Q39-R260 PolarHBondContact O-NH2 2.97Å; E42-R260 VanDerWaalsContact CG-NH2 3.28Å; E42-R260 IonicContact OE1-CZ 3.63Å; E42-R260 IonicContact OE1-NE 2.74Å; E42-R260 PolarHBondContact OE1-NE 3.47Å; E42-R260 IonicContact OE1-NH2 2.68Å; E42-R260 PolarHBondContact OE1-NH2 3.43Å; L256-R260 WeakPolarHBondContact O-CB 3.41Å; L256-R260 PolarHBondContact O-N 2.93Å; L257-R260 PolarHBondContact O-N 2.83Å; R260-R262 VanDerWaalsContact C-N 3.34Å; R260-K263 PolarHBondContact O-N 3.27Å; R260-H264 PolarHBondContact O-N 2.83Å; R260-L269 HydrophobicContact CB-CD2 4.36Å; R260-L269 HydrophobicContact CG-CD2 4.24Å
261A84.5Confident82.1Confident32 Ų3264.7 Ų64.726%0.26434%0.339SS..Hα-helixtrans-65.2-36.5176.200000112.2L257 V258 G265 L269L257-A261 WeakPolarHBondContact O-CB 3.34Å; L257-A261 PolarHBondContact O-N 3.07Å; V258-A261 PolarHBondContact O-N 2.99Å; A261-G265 CarbonylContact O-C 3.43Å; A261-G265 WeakPolarHBondContact O-CA 3.47Å; A261-G265 PolarHBondContact O-N 2.91Å; A261-L269 HydrophobicContact CB-CD1 4.48Å
262R83.6Confident82.5Confident207 Ų20758.6 Ų58.678%0.78131%0.311SS*.Hα-helixtrans-70.6-42.6174.9-76.8-176-179.4-164.91.3112.4V258 N259 R260V258-R262 HydrophobicContact CG1-CG 4.35Å; V258-R262 WeakPolarHBondContact O-CB 3.3Å; V258-R262 WeakPolarHBondContact O-CG 3Å; V258-R262 PolarHBondContact O-N 3.35Å; N259-R262 PolarHBondContact O-N 2.96Å; R260-R262 VanDerWaalsContact C-N 3.34Å
263K80.2Confident83.1Confident156 Ų15657.4 Ų57.468%0.67830%0.303SS*.Hα-helixtrans-72.9-40.4-178.2-75.4-174.3177.5-174.60113.8N259 R260N259-K263 WeakPolarHBondContact O-CB 3.1Å; N259-K263 WeakPolarHBondContact O-CG 3.47Å; N259-K263 PolarHBondContact O-N 2.9Å; R260-K263 PolarHBondContact O-N 3.27Å
264H77Confident83.4Confident63 Ų6361.5 Ų61.529%0.29232%0.322SS..Hα-helixtrans-124.57-170.9-65.4-68.5000114.1E42 R260 G268E42-H264 PolarHBondContact O-CE1 3.16Å; E42-H264 IonicContact OE2-CD2 3.18Å; E42-H264 IonicContact OE2-NE2 3.37Å; R260-H264 PolarHBondContact O-N 2.83Å; H264-G268 PolarHBondContact O-N 2.98Å
265G83.1Confident83.8Confident32 Ų3255.3 Ų55.333%0.3329%0.293SS..Hα-helixtrans70.5-178.8-173.100000112.9A261 S267 G268A261-G265 CarbonylContact O-C 3.43Å; A261-G265 WeakPolarHBondContact O-CA 3.47Å; A261-G265 PolarHBondContact O-N 2.91Å; G265-S267 PolarHBondContact O-N 3.35Å; G265-G268 PolarHBondContact O-N 2.68Å
266V81.6Confident84.2Confident100 Ų10055.9 Ų55.961%0.60629%0.288SS*.Hα-helixtrans-59.9-31.9175.8-1780000111.3G268 L269 F270V266-G268 PolarHBondContact O-N 3.11Å; V266-L269 WeakPolarHBondContact O-CB 3.15Å; V266-L269 PolarHBondContact O-N 2.89Å; V266-L269 VanDerWaalsContact O-N 3.13Å; V266-F270 HydrophobicContact CG1-CD2 4.34Å; V266-F270 HydrophobicContact CG1-CE2 3.96Å; V266-F270 WeakPolarHBondContact O-CD2 3.31Å
267S79.9Confident84.7Confident74 Ų7456.7 Ų56.752%0.51729%0.292SS..Hα-helixtrans-59.4-29.3174.7-1760000113G265 L269 F270 K271G265-S267 PolarHBondContact O-N 3.35Å; S267-L269 VanDerWaalsContact C-N 3.27Å; S267-L269 PolarHBondContact O-N 2.83Å; S267-F270 PolarHBondContact O-N 3.15Å; S267-F270 VanDerWaalsContact O-N 3.15Å; S267-K271 PolarHBondContact O-N 3.47Å
268G79.4Confident85Confident1 Ų158 Ų581%0.0130%0.299CS..Hα-helixtrans-61.3-31.7175.800000114H264 G265 V266 F270H264-G268 PolarHBondContact O-N 2.98Å; G265-G268 PolarHBondContact O-N 2.68Å; V266-G268 PolarHBondContact O-N 3.11Å; G268-F270 VanDerWaalsContact C-N 3.3Å; G268-F270 PolarHBondContact O-N 3.13Å
269L83.5Confident85.3Confident20 Ų2055.6 Ų55.611%0.10528%0.284CS..Hα-helixtrans-71.9-27.3178-63.3172.1000112.3Y223 P224 T227 M228 L257 R260 A261 V266 S267Y223-L269 VanDerWaalsContact CD1-O 3.24Å; Y223-L269 WeakPolarHBondContact CD1-O 3.48Å; Y223-L269 WeakPolarHBondContact CE1-O 3.11Å; P224-L269 HydrophobicContact CB-CB 4.41Å; P224-L269 HydrophobicContact CG-CB 4.47Å; T227-L269 PolarHBondContact OG1-O 2.92Å; M228-L269 HydrophobicContact CE-CD2 4.35Å; L257-L269 HydrophobicContact CD2-CD2 3.52Å; R260-L269 HydrophobicContact CB-CD2 4.36Å; R260-L269 HydrophobicContact CG-CD2 4.24Å; A261-L269 HydrophobicContact CB-CD1 4.48Å; V266-L269 WeakPolarHBondContact O-CB 3.15Å; V266-L269 PolarHBondContact O-N 2.89Å; V266-L269 VanDerWaalsContact O-N 3.13Å; S267-L269 VanDerWaalsContact C-N 3.27Å; S267-L269 PolarHBondContact O-N 2.83Å
270F87.9Confident85.5Confident66 Ų6652.7 Ų52.729%0.28927%0.27SS..THydrogen-bonded Turntrans-10010-176.8-63.4-80.2000113.8I220 Y223 P224 V266 S267 G268 G272 L273I220-F270 HydrophobicContact CG2-CE1 4.37Å; Y223-F270 HydrophobicContact CD1-CB 4.42Å; Y223-F270 AromaticContact CD1-CD1 3.83Å; Y223-F270 HydrophobicContact CD1-CD1 3.83Å; Y223-F270 HydrophobicContact CD1-CG 4.44Å; Y223-F270 HydrophobicContact CG-CD1 4.25Å; P224-F270 HydrophobicContact CG-CE1 4.27Å; P224-F270 HydrophobicContact CG-CZ 4.02Å; V266-F270 HydrophobicContact CG1-CD2 4.34Å; V266-F270 HydrophobicContact CG1-CE2 3.96Å; V266-F270 WeakPolarHBondContact O-CD2 3.31Å; S267-F270 PolarHBondContact O-N 3.15Å; S267-F270 VanDerWaalsContact O-N 3.15Å; G268-F270 VanDerWaalsContact C-N 3.3Å; G268-F270 PolarHBondContact O-N 3.13Å; F270-G272 PolarHBondContact O-N 3.37Å; F270-L273 HydrophobicContact CB-CB 4.38Å; F270-L273 HydrophobicContact CB-CD2 4.47Å; F270-L273 HydrophobicContact CD1-CD2 3.94Å; F270-L273 WeakPolarHBondContact O-CB 3.37Å; F270-L273 PolarHBondContact O-N 3.37Å
271K85.6Confident85.8Confident28 Ų2855.3 Ų55.312%0.12229%0.286CS..THydrogen-bonded Turntrans-57124.9172.2-76.7-169174.6-164.90110.6L38 E42 Y223 S267L38-K271 HydrophobicContact CB-CB 4.33Å; E42-K271 PolarHBondContact O-NZ 3Å; Y223-K271 WeakPolarHBondContact CE1-O 3.4Å; Y223-K271 PolarHBondContact OH-O 2.86Å; S267-K271 PolarHBondContact O-N 3.47Å
272G86.8Confident86.1Confident5 Ų557.1 Ų57.15%0.05229%0.291CS..THydrogen-bonded Turntrans85.13.5-178.700000115.2Y223 F270 E274 A275 K276Y223-G272 WeakPolarHBondContact OH-CA 3.32Å; Y223-G272 PolarHBondContact OH-O 2.98Å; F270-G272 PolarHBondContact O-N 3.37Å; G272-E274 VanDerWaalsContact C-N 3.3Å; G272-E274 PolarHBondContact O-N 3.42Å; G272-A275 PolarHBondContact O-N 3.34Å; G272-K276 PolarHBondContact O-N 3Å
273L89.8Confident86.2Confident30 Ų3048.6 Ų48.616%0.15726%0.262CS..Hα-helixtrans-59.9-43.5178.6176.168.4000110.8T219 I220 Y223 F270 K276 L277T219-L273 HydrophobicContact CG2-CD1 4.32Å; I220-L273 HydrophobicContact CG1-CD1 4.13Å; I220-L273 HydrophobicContact CG1-CD2 4.13Å; Y223-L273 HydrophobicContact CD1-CB 4.23Å; Y223-L273 HydrophobicContact CD1-CD1 4.32Å; Y223-L273 HydrophobicContact CD2-CB 4.37Å; Y223-L273 HydrophobicContact CD2-CD1 3.42Å; Y223-L273 VanDerWaalsContact CD2-CD1 3.42Å; Y223-L273 HydrophobicContact CD2-CG 4.49Å; Y223-L273 HydrophobicContact CE1-CB 3.96Å; Y223-L273 HydrophobicContact CE2-CB 4.1Å; Y223-L273 HydrophobicContact CE2-CD1 3.84Å; Y223-L273 HydrophobicContact CG-CB 4.42Å; Y223-L273 HydrophobicContact CG-CD1 3.7Å; Y223-L273 VanDerWaalsContact CZ-CA 3.48Å; Y223-L273 PolarHBondContact OH-N 3.5Å; F270-L273 HydrophobicContact CB-CB 4.38Å; F270-L273 HydrophobicContact CB-CD2 4.47Å; F270-L273 HydrophobicContact CD1-CD2 3.94Å; F270-L273 WeakPolarHBondContact O-CB 3.37Å; F270-L273 PolarHBondContact O-N 3.37Å; L273-K276 PolarHBondContact O-N 3.22Å; L273-K276 VanDerWaalsContact O-N 3.17Å; L273-L277 HydrophobicContact CD1-CD1 4.09Å; L273-L277 HydrophobicContact CD1-CD2 4.45Å; L273-L277 HydrophobicContact CD1-CG 4.02Å; L273-L277 HydrophobicContact CD2-CD1 4.39Å; L273-L277 HydrophobicContact CG-CD1 3.92Å; L273-L277 HydrophobicContact CG-CG 4.22Å; L273-L277 WeakPolarHBondContact O-CG 3.42Å; L273-L277 PolarHBondContact O-N 3.03Å
274E90.3Very high86.4Confident92 Ų9243.3 Ų43.343%0.4325%0.248SC..Hα-helixtrans-54.8-55.1175.9-175.2-162.2-167.600111.1T49 G272 K276 L277 L278T49-E274 WeakPolarHBondContact CB-OE2 3.38Å; T49-E274 PolarHBondContact N-OE2 3.09Å; T49-E274 VanDerWaalsContact OG1-CD 3.24Å; T49-E274 PolarHBondContact OG1-OE2 3.44Å; G272-E274 VanDerWaalsContact C-N 3.3Å; G272-E274 PolarHBondContact O-N 3.42Å; E274-K276 PolarHBondContact O-N 3.32Å; E274-L277 PolarHBondContact O-N 3.12Å; E274-L277 VanDerWaalsContact O-N 3.15Å; E274-L278 HydrophobicContact CG-CD1 3.99Å; E274-L278 WeakPolarHBondContact O-CB 3.42Å; E274-L278 WeakPolarHBondContact O-CG 3.35Å; E274-L278 PolarHBondContact O-N 3.37Å
275A89.9Confident86.8Confident0 Ų041.8 Ų41.80%025%0.246CC..Hα-helixtrans-55.9-40.2177.400000111.9R35 T49 G272 Q279R35-A275 HydrophobicContact CB-CB 3.92Å; T49-A275 HydrophobicContact CG2-CB 3.71Å; T49-A275 PolarHBondContact OG1-N 2.84Å; G272-A275 PolarHBondContact O-N 3.34Å; A275-Q279 WeakPolarHBondContact O-CB 3.49Å; A275-Q279 PolarHBondContact O-N 3.3Å
276K91.1Very high87Confident39 Ų3942.2 Ų42.217%0.1724%0.24CC..Hα-helixtrans-67.5-44.3177.5-17749.5173.1177.50112.7R35 T219 Y223 G272 L273 E274 T280R35-K276 HydrophobicContact CG-CB 4.25Å; R35-K276 VanDerWaalsContact NH1-CD 3.33Å; R35-K276 VanDerWaalsContact NH1-CE 3.25Å; T219-K276 HydrophobicContact CG2-CG 3.93Å; Y223-K276 HydrophobicContact CE2-CB 3.97Å; Y223-K276 HydrophobicContact CE2-CG 4.23Å; G272-K276 PolarHBondContact O-N 3Å; L273-K276 PolarHBondContact O-N 3.22Å; L273-K276 VanDerWaalsContact O-N 3.17Å; E274-K276 PolarHBondContact O-N 3.32Å; K276-T280 VanDerWaalsContact O-CB 3.32Å; K276-T280 WeakPolarHBondContact O-CB 3.25Å; K276-T280 PolarHBondContact O-N 2.84Å; K276-T280 PolarHBondContact O-OG1 3.46Å
277L92Very high87.1Confident45 Ų4541.1 Ų41.124%0.23623%0.23CC..Hα-helixtrans-65.6-47.2179.7-70177.2000110.4A216 T219 L273 E274 Q279 T280 V281A216-L277 HydrophobicContact CB-CD2 3.84Å; T219-L277 HydrophobicContact CG2-CD2 4.22Å; L273-L277 HydrophobicContact CD1-CD1 4.09Å; L273-L277 HydrophobicContact CD1-CD2 4.45Å; L273-L277 HydrophobicContact CD1-CG 4.02Å; L273-L277 HydrophobicContact CD2-CD1 4.39Å; L273-L277 HydrophobicContact CG-CD1 3.92Å; L273-L277 HydrophobicContact CG-CG 4.22Å; L273-L277 WeakPolarHBondContact O-CG 3.42Å; L273-L277 PolarHBondContact O-N 3.03Å; E274-L277 PolarHBondContact O-N 3.12Å; E274-L277 VanDerWaalsContact O-N 3.15Å; L277-Q279 PolarHBondContact O-N 2.89Å; L277-T280 PolarHBondContact O-N 2.89Å; L277-V281 WeakPolarHBondContact O-CG2 3.49Å; L277-V281 PolarHBondContact O-N 3.31Å
278L90.3Very high87.1Confident72 Ų7241.4 Ų41.438%0.37722%0.222SC..Hα-helixtrans-56.8-51.9174.4-72.7173.1000111.1L31 E274 T280 V281 L282L31-L278 HydrophobicContact CD1-CB 4.23Å; E274-L278 HydrophobicContact CG-CD1 3.99Å; E274-L278 WeakPolarHBondContact O-CB 3.42Å; E274-L278 WeakPolarHBondContact O-CG 3.35Å; E274-L278 PolarHBondContact O-N 3.37Å; L278-T280 VanDerWaalsContact C-N 3.28Å; L278-T280 PolarHBondContact O-N 3.06Å; L278-V281 PolarHBondContact O-N 3.47Å; L278-L282 HydrophobicContact CB-CD1 4.37Å; L278-L282 WeakPolarHBondContact O-CB 3.39Å; L278-L282 WeakPolarHBondContact O-CD1 3.37Å; L278-L282 WeakPolarHBondContact O-CG 3.22Å; L278-L282 PolarHBondContact O-N 2.72Å
279Q90.1Very high87.3Confident9 Ų946 Ų464%0.04225%0.245CC..Hα-helixtrans-54.2-46.9177-177.2-162.821.300111F28 L31 D32 A275 L277 T283F28-Q279 HydrophobicContact CB-CG 4.39Å; L31-Q279 HydrophobicContact CB-CB 3.9Å; L31-Q279 HydrophobicContact CB-CG 4.31Å; L31-Q279 HydrophobicContact CD1-CB 4.16Å; D32-Q279 PolarHBondContact OD1-NE2 3.41Å; A275-Q279 WeakPolarHBondContact O-CB 3.49Å; A275-Q279 PolarHBondContact O-N 3.3Å; L277-Q279 PolarHBondContact O-N 2.89Å; Q279-T283 WeakPolarHBondContact O-CB 3.37Å; Q279-T283 PolarHBondContact O-N 3.17Å; Q279-T283 PolarHBondContact O-OG1 3.35Å
280T87.7Confident87.3Confident30 Ų3047 Ų4718%0.18425%0.25CS..Hα-helixtrans-67.5-46.5-173.8-55.60000111.7K215 K276 L277 L278 A284K215-T280 HydrophobicContact CG-CG2 3.58Å; K276-T280 VanDerWaalsContact O-CB 3.32Å; K276-T280 WeakPolarHBondContact O-CB 3.25Å; K276-T280 PolarHBondContact O-N 2.84Å; K276-T280 PolarHBondContact O-OG1 3.46Å; L277-T280 PolarHBondContact O-N 2.89Å; L278-T280 VanDerWaalsContact C-N 3.28Å; L278-T280 PolarHBondContact O-N 3.06Å; T280-A284 WeakPolarHBondContact O-CB 3.45Å; T280-A284 PolarHBondContact O-N 2.89Å; T280-A284 VanDerWaalsContact O-N 3.11Å
281V88.1Confident86.8Confident61 Ų6146.8 Ų46.837%0.3725%0.248SC..Hα-helixtrans-67.5-46.3179.5175.80000110.8L277 L278 A284 A285L277-V281 WeakPolarHBondContact O-CG2 3.49Å; L277-V281 PolarHBondContact O-N 3.31Å; L278-V281 PolarHBondContact O-N 3.47Å; V281-A284 PolarHBondContact O-N 3.03Å; V281-A285 WeakPolarHBondContact O-CB 3.45Å; V281-A285 PolarHBondContact O-N 3.49Å
282L89.2Confident86.4Confident69 Ų6948.9 Ų48.936%0.36126%0.258SS..Hα-helixtrans-67.9-39.3-178.5-66.9171.9000112.3F28 L31 L278 A285 L286F28-L282 HydrophobicContact CD1-CB 3.99Å; F28-L282 HydrophobicContact CD1-CD1 4.07Å; F28-L282 HydrophobicContact CD2-CB 4.1Å; F28-L282 HydrophobicContact CE1-CB 3.62Å; F28-L282 HydrophobicContact CE1-CD1 3.74Å; F28-L282 HydrophobicContact CE1-CG 4.19Å; F28-L282 VanDerWaalsContact CE2-C 3.45Å; F28-L282 HydrophobicContact CE2-CB 3.72Å; F28-L282 VanDerWaalsContact CE2-O 3.29Å; F28-L282 WeakPolarHBondContact CE2-O 3.43Å; F28-L282 HydrophobicContact CG-CB 4.24Å; F28-L282 HydrophobicContact CZ-CB 3.5Å; F28-L282 VanDerWaalsContact CZ-CB 3.5Å; F28-L282 HydrophobicContact CZ-CD1 4.4Å; F28-L282 HydrophobicContact CZ-CG 4.37Å; L31-L282 HydrophobicContact CD1-CD1 4.06Å; L278-L282 HydrophobicContact CB-CD1 4.37Å; L278-L282 WeakPolarHBondContact O-CB 3.39Å; L278-L282 WeakPolarHBondContact O-CD1 3.37Å; L278-L282 WeakPolarHBondContact O-CG 3.22Å; L278-L282 PolarHBondContact O-N 2.72Å; L282-A285 PolarHBondContact O-N 2.87Å; L282-L286 WeakPolarHBondContact O-CB 2.98Å; L282-L286 PolarHBondContact O-N 2.87Å
283T86.6Confident86.2Confident29 Ų2955.8 Ų55.818%0.17829%0.287CS..Hα-helixtrans-63.5-43.4175.2-58.50000110.6A24 Q279 M287A24-T283 HydrophobicContact CB-CG2 3.84Å; Q279-T283 WeakPolarHBondContact O-CB 3.37Å; Q279-T283 PolarHBondContact O-N 3.17Å; Q279-T283 PolarHBondContact O-OG1 3.35Å; T283-M287 WeakPolarHBondContact O-CB 3.17Å; T283-M287 PolarHBondContact O-N 3.01Å
284A84.4Confident85.7Confident45 Ų4556.6 Ų56.637%0.37229%0.291SS..Hα-helixtrans-65-44.5177.600000112F208 T280 V281 F288F208-A284 HydrophobicContact CE2-CB 4.13Å; T280-A284 WeakPolarHBondContact O-CB 3.45Å; T280-A284 PolarHBondContact O-N 2.89Å; T280-A284 VanDerWaalsContact O-N 3.11Å; V281-A284 PolarHBondContact O-N 3.03Å; A284-F288 WeakPolarHBondContact O-CB 3.41Å; A284-F288 PolarHBondContact O-N 3.35Å
285A86.3Confident84.8Confident31 Ų3152.4 Ų52.426%0.25627%0.272SS..Hα-helixtrans-60.7-48.6177.100000111.6F208 V281 L282 F288 L289F208-A285 HydrophobicContact CZ-CB 3.88Å; V281-A285 WeakPolarHBondContact O-CB 3.45Å; V281-A285 PolarHBondContact O-N 3.49Å; L282-A285 PolarHBondContact O-N 2.87Å; A285-F288 PolarHBondContact O-N 2.9Å; A285-L289 VanDerWaalsContact O-CG 3.31Å; A285-L289 WeakPolarHBondContact O-CG 3.29Å; A285-L289 PolarHBondContact O-N 3.29Å
286L87.2Confident84.1Confident41 Ų4154.9 Ų54.922%0.21529%0.289CS..Hα-helixtrans-68.6-40.4-179.2-175.859.4000112A24 V27 F28 L282 F288 L289 L290A24-L286 HydrophobicContact CB-CB 4.19Å; A24-L286 HydrophobicContact CB-CD2 4.02Å; A24-L286 HydrophobicContact CB-CG 4.16Å; V27-L286 HydrophobicContact CB-CD2 4.06Å; V27-L286 HydrophobicContact CG1-CD2 4.18Å; V27-L286 HydrophobicContact CG2-CD2 4.11Å; F28-L286 HydrophobicContact CD2-CD2 4.41Å; F28-L286 HydrophobicContact CE2-CB 3.85Å; F28-L286 HydrophobicContact CE2-CD2 3.58Å; F28-L286 HydrophobicContact CE2-CG 4.37Å; F28-L286 HydrophobicContact CZ-CD2 4.13Å; L282-L286 WeakPolarHBondContact O-CB 2.98Å; L282-L286 PolarHBondContact O-N 2.87Å; L286-F288 VanDerWaalsContact C-N 3.31Å; L286-F288 PolarHBondContact O-N 2.91Å; L286-L289 PolarHBondContact O-N 3.46Å; L286-L290 HydrophobicContact CD1-CD1 4.09Å; L286-L290 HydrophobicContact CD1-CG 4.02Å; L286-L290 HydrophobicContact CG-CD1 3.87Å; L286-L290 HydrophobicContact CG-CG 4.24Å; L286-L290 VanDerWaalsContact O-CB 3.31Å; L286-L290 WeakPolarHBondContact O-CB 3.38Å; L286-L290 VanDerWaalsContact O-CG 3.24Å; L286-L290 WeakPolarHBondContact O-CG 3.22Å; L286-L290 PolarHBondContact O-N 3.38Å
287M83.6Confident83.2Confident77 Ų7756 Ų5638%0.37930%0.302SS..Hα-helixtrans-59.4-43.8174.4-179.9-177.7170.500111T283 L290 Y291T283-M287 WeakPolarHBondContact O-CB 3.17Å; T283-M287 PolarHBondContact O-N 3.01Å; M287-L290 PolarHBondContact O-N 2.95Å; M287-Y291 WeakPolarHBondContact O-CB 3.32Å; M287-Y291 PolarHBondContact O-N 2.89Å
288F80.3Confident82.3Confident80 Ų8055.6 Ų55.635%0.35130%0.301SS..Hα-helixtrans-61.8-49.5177.2-177.5-96.8000111.7A284 A285 L286 L290 Y291 E292A284-F288 WeakPolarHBondContact O-CB 3.41Å; A284-F288 PolarHBondContact O-N 3.35Å; A285-F288 PolarHBondContact O-N 2.9Å; L286-F288 VanDerWaalsContact C-N 3.31Å; L286-F288 PolarHBondContact O-N 2.91Å; F288-L290 PolarHBondContact O-N 3.35Å; F288-Y291 PolarHBondContact O-N 2.95Å; F288-E292 HydrophobicContact CE1-CG 4.18Å; F288-E292 WeakPolarHBondContact CE1-OE1 3.39Å; F288-E292 HydrophobicContact CZ-CG 4.22Å; F288-E292 WeakPolarHBondContact CZ-OE1 3.48Å; F288-E292 WeakPolarHBondContact O-CG 3.42Å; F288-E292 PolarHBondContact O-N 2.95Å
289L83.4Confident81.3Confident97 Ų9754.6 Ų54.651%0.50829%0.294SS..Hα-helixtrans-61.6-42178.1-70.4172.7000112.8A285 L286 K293A285-L289 VanDerWaalsContact O-CG 3.31Å; A285-L289 WeakPolarHBondContact O-CG 3.29Å; A285-L289 PolarHBondContact O-N 3.29Å; L286-L289 PolarHBondContact O-N 3.46Å; L289-K293 WeakPolarHBondContact O-CB 3.34Å; L289-K293 WeakPolarHBondContact O-CG 3.43Å; L289-K293 PolarHBondContact O-N 3.14Å
290L83.6Confident80.4Confident40 Ų4063.2 Ų63.221%0.20933%0.326CS..Hα-helixtrans-68.4-42.3177.7-72.4175.7000111T23 L286 M287 F288 E292 K293 I294T23-L290 HydrophobicContact CG2-CD1 3.72Å; L286-L290 HydrophobicContact CD1-CD1 4.09Å; L286-L290 HydrophobicContact CD1-CG 4.02Å; L286-L290 HydrophobicContact CG-CD1 3.87Å; L286-L290 HydrophobicContact CG-CG 4.24Å; L286-L290 VanDerWaalsContact O-CB 3.31Å; L286-L290 WeakPolarHBondContact O-CB 3.38Å; L286-L290 VanDerWaalsContact O-CG 3.24Å; L286-L290 WeakPolarHBondContact O-CG 3.22Å; L286-L290 PolarHBondContact O-N 3.38Å; M287-L290 PolarHBondContact O-N 2.95Å; F288-L290 PolarHBondContact O-N 3.35Å; L290-E292 PolarHBondContact O-N 3.46Å; L290-K293 PolarHBondContact O-N 2.92Å; L290-I294 HydrophobicContact CB-CD1 4.29Å; L290-I294 VanDerWaalsContact O-CB 3.27Å; L290-I294 WeakPolarHBondContact O-CB 3.48Å; L290-I294 WeakPolarHBondContact O-CD1 3.21Å; L290-I294 WeakPolarHBondContact O-CG1 3.28Å; L290-I294 PolarHBondContact O-N 2.97Å
291Y77.1Confident79.5Confident62 Ų6268 Ų6824%0.24336%0.355CS..Hα-helixtrans-58.7-48.6176.1175.5-95.4000111.3H13 M287 F288 K293 I294 A295H13-Y291 PolarHBondContact CE1-OH 2.92Å; H13-Y291 VanDerWaalsContact CE1-OH 3.27Å; H13-Y291 AromaticContact ND1-CE2 3.8Å; H13-Y291 AromaticContact ND1-CZ 3.65Å; H13-Y291 PolarHBondContact ND1-OH 3.39Å; M287-Y291 WeakPolarHBondContact O-CB 3.32Å; M287-Y291 PolarHBondContact O-N 2.89Å; F288-Y291 PolarHBondContact O-N 2.95Å; Y291-K293 PolarHBondContact O-N 3.34Å; Y291-I294 PolarHBondContact O-N 3.32Å; Y291-A295 WeakPolarHBondContact O-CB 3.46Å; Y291-A295 PolarHBondContact O-N 3.18Å
292E77.5Confident78.2Confident72 Ų7268.4 Ų68.434%0.33635%0.354SS..Hα-helixtrans-61.6-44.5178.1-72.5-171.8149.900112.3F288 L290 S296F288-E292 HydrophobicContact CE1-CG 4.18Å; F288-E292 WeakPolarHBondContact CE1-OE1 3.39Å; F288-E292 HydrophobicContact CZ-CG 4.22Å; F288-E292 WeakPolarHBondContact CZ-OE1 3.48Å; F288-E292 WeakPolarHBondContact O-CG 3.42Å; F288-E292 PolarHBondContact O-N 2.95Å; L290-E292 PolarHBondContact O-N 3.46Å; E292-S296 WeakPolarHBondContact O-CB 3.5Å; E292-S296 PolarHBondContact O-N 3.45Å
293K82.3Confident76.8Confident151 Ų15168.4 Ų68.466%0.65737%0.37SS*.Hα-helixtrans-66.8-43178.4-78.4-166.1176.2-171.60112.7L289 L290 Y291 S297L289-K293 WeakPolarHBondContact O-CB 3.34Å; L289-K293 WeakPolarHBondContact O-CG 3.43Å; L289-K293 PolarHBondContact O-N 3.14Å; L290-K293 PolarHBondContact O-N 2.92Å; Y291-K293 PolarHBondContact O-N 3.34Å; K293-S297 VanDerWaalsContact O-CB 3.26Å; K293-S297 WeakPolarHBondContact O-CB 3.37Å; K293-S297 PolarHBondContact O-N 3.5Å; K293-S297 PolarHBondContact O-OG 2.98Å
294I78.5Confident75.3Confident47 Ų4772.2 Ų72.224%0.24139%0.389CS..Hα-helixtrans-69.4-46.8-179.4-65.1164.5000109.5S16 V19 L290 Y291 S296 S297 T298S16-I294 VanDerWaalsContact CB-CG2 3.47Å; V19-I294 HydrophobicContact CB-CD1 4.49Å; V19-I294 HydrophobicContact CG1-CD1 4.2Å; L290-I294 HydrophobicContact CB-CD1 4.29Å; L290-I294 VanDerWaalsContact O-CB 3.27Å; L290-I294 WeakPolarHBondContact O-CB 3.48Å; L290-I294 WeakPolarHBondContact O-CD1 3.21Å; L290-I294 WeakPolarHBondContact O-CG1 3.28Å; L290-I294 PolarHBondContact O-N 2.97Å; Y291-I294 PolarHBondContact O-N 3.32Å; I294-S296 PolarHBondContact O-N 3.45Å; I294-S297 PolarHBondContact O-N 2.91Å; I294-T298 VanDerWaalsContact O-CB 3.26Å; I294-T298 WeakPolarHBondContact O-CB 3.21Å; I294-T298 PolarHBondContact O-N 2.96Å; I294-T298 PolarHBondContact O-OG1 2.74Å
295A71.7Confident73.3Confident3 Ų375.5 Ų75.53%0.02541%0.409CS..Hα-helixtrans-59.1-49.9176.300000110.7Y291 S297 T298 F299Y291-A295 WeakPolarHBondContact O-CB 3.46Å; Y291-A295 PolarHBondContact O-N 3.18Å; A295-S297 PolarHBondContact O-N 2.94Å; A295-T298 PolarHBondContact O-N 2.93Å; A295-F299 HydrophobicContact CB-CE2 4.34Å; A295-F299 WeakPolarHBondContact O-CD2 3.34Å; A295-F299 PolarHBondContact O-N 3.06Å
296S74.4Confident71.2Confident52 Ų5279.1 Ų79.136%0.36443%0.432SS..Hα-helixtrans-61.8-41.9179.8-175.40000113E292 I294 R300E292-S296 WeakPolarHBondContact O-CB 3.5Å; E292-S296 PolarHBondContact O-N 3.45Å; I294-S296 PolarHBondContact O-N 3.45Å; S296-R300 VanDerWaalsContact O-CB 3.3Å; S296-R300 WeakPolarHBondContact O-CB 3.48Å; S296-R300 PolarHBondContact O-N 3.47Å
297S73.9Confident69.1Low62 Ų6280.2 Ų80.243%0.43445%0.454SS..Hα-helixtrans-66.4-40.1177.1-56.90000111.5K293 I294 A295 R300 V301K293-S297 VanDerWaalsContact O-CB 3.26Å; K293-S297 WeakPolarHBondContact O-CB 3.37Å; K293-S297 PolarHBondContact O-N 3.5Å; K293-S297 PolarHBondContact O-OG 2.98Å; I294-S297 PolarHBondContact O-N 2.91Å; A295-S297 PolarHBondContact O-N 2.94Å; S297-R300 PolarHBondContact O-N 3.35Å; S297-V301 WeakPolarHBondContact O-CB 3.4Å; S297-V301 VanDerWaalsContact O-CG2 3.28Å; S297-V301 WeakPolarHBondContact O-CG2 3.5Å; S297-V301 PolarHBondContact O-N 3.24Å
298T73.3Confident67.1Low37 Ų3785.3 Ų85.323%0.22748%0.476CS..Hα-helixtrans-64-47179-54.20000110.3V12 I294 A295 R300 V301 M302V12-T298 HydrophobicContact CB-CG2 4.36Å; V12-T298 HydrophobicContact CG1-CG2 3.55Å; V12-T298 HydrophobicContact CG2-CG2 3.81Å; I294-T298 VanDerWaalsContact O-CB 3.26Å; I294-T298 WeakPolarHBondContact O-CB 3.21Å; I294-T298 PolarHBondContact O-N 2.96Å; I294-T298 PolarHBondContact O-OG1 2.74Å; A295-T298 PolarHBondContact O-N 2.93Å; T298-R300 PolarHBondContact O-N 3.03Å; T298-V301 PolarHBondContact O-N 3.43Å; T298-M302 HydrophobicContact CG2-CE 3.27Å; T298-M302 WeakPolarHBondContact O-CE 3.41Å; T298-M302 PolarHBondContact O-N 3.15Å
299F68.6Low65.3Low51 Ų5188.2 Ų88.222%0.22449%0.486CS..Hα-helixtrans-64-36.7174.8-71.6-63.5000113.4A295 M302 G303A295-F299 HydrophobicContact CB-CE2 4.34Å; A295-F299 WeakPolarHBondContact O-CD2 3.34Å; A295-F299 PolarHBondContact O-N 3.06Å; F299-M302 PolarHBondContact O-N 3.35Å; F299-G303 PolarHBondContact O-N 3.37Å
300R70.2Confident63.1Low191 Ų19193.1 Ų93.172%0.72150%0.503SS*.Hα-helixtrans-69.3-40.6179.2-167.4-178.1-67168.3-0.8112.7S296 S297 T298 M302 G303S296-R300 VanDerWaalsContact O-CB 3.3Å; S296-R300 WeakPolarHBondContact O-CB 3.48Å; S296-R300 PolarHBondContact O-N 3.47Å; S297-R300 PolarHBondContact O-N 3.35Å; T298-R300 PolarHBondContact O-N 3.03Å; R300-M302 PolarHBondContact O-N 2.95Å; R300-G303 PolarHBondContact O-N 3.34Å
301V70.1Confident60.7Low131 Ų131102 Ų10279%0.79453%0.534SS*.Hα-helixtrans-65.5-25.1176.4169.80000111.6S297 T298S297-V301 WeakPolarHBondContact O-CB 3.4Å; S297-V301 VanDerWaalsContact O-CG2 3.28Å; S297-V301 WeakPolarHBondContact O-CG2 3.5Å; S297-V301 PolarHBondContact O-N 3.24Å; T298-V301 PolarHBondContact O-N 3.43Å
302M61.1Low58.6Low69 Ų69114.4 Ų114.434%0.3458%0.58SS.*THydrogen-bonded Turntrans-94.42.9180-75.8-174.6-83.200115.6Y8 T298 F299 R300 L304Y8-M302 HydrophobicContact CD1-SD 4.44Å; Y8-M302 HydrophobicContact CE1-CE 3.55Å; Y8-M302 HydrophobicContact CE1-SD 3.27Å; Y8-M302 WeakPolarHBondContact CE1-SD 3.21Å; Y8-M302 VanDerWaalsContact OH-CE 3.25Å; Y8-M302 WeakPolarHBondContact OH-CE 3.41Å; Y8-M302 PolarHBondContact OH-SD 3.44Å; T298-M302 HydrophobicContact CG2-CE 3.27Å; T298-M302 WeakPolarHBondContact O-CE 3.41Å; T298-M302 PolarHBondContact O-N 3.15Å; F299-M302 PolarHBondContact O-N 3.35Å; R300-M302 PolarHBondContact O-N 2.95Å; M302-L304 PolarHBondContact O-N 2.93Å; M302-L304 VanDerWaalsContact O-N 3.15Å
303G58.3Low57.7Low68 Ų68116.5 Ų116.570%0.70159%0.592SS**THydrogen-bonded Turntrans69.58.8174.900000115.6F299 R300 S305F299-G303 PolarHBondContact O-N 3.37Å; R300-G303 PolarHBondContact O-N 3.34Å; G303-S305 PolarHBondContact O-N 3.19Å; G303-S305 VanDerWaalsContact O-N 3.14Å
304L56.3Low56.4Low110 Ų110114.7 Ų114.758%0.57659%0.589SS**  trans-78.798171.6-73.8165.6000108.3M302 S306M302-L304 PolarHBondContact O-N 2.93Å; M302-L304 VanDerWaalsContact O-N 3.15Å; L304-S306 PolarHBondContact O-N 3.3Å
305S41.6Very low55.2Low114 Ų114118.4 Ų118.480%0.79761%0.608SS**  trans-48136.6178.6-176.50000112G303 G307G303-S305 PolarHBondContact O-N 3.19Å; G303-S305 VanDerWaalsContact O-N 3.14Å; S305-G307 PolarHBondContact O-N 3.14Å
306S43.1Very low54.2Low106 Ų106125.2 Ų125.274%0.74164%0.643SS**THydrogen-bonded Turntrans-53.716.2-172.7-91.20000118.2L304L304-S306 PolarHBondContact O-N 3.3Å
307G42.2Very low52.9Low64 Ų64129.8 Ų129.866%0.6666%0.66SS**THydrogen-bonded Turntrans-74.9-21.7-173.100000116.4S305S305-G307 PolarHBondContact O-N 3.14Å
308H42.2Very low51.5Low184 Ų184134.3 Ų134.385%0.85268%0.675SS**SBendtrans-98.3-12.9-169.7-92.793.5000116.2
309Y42.5Very low50Low141 Ų141141.3 Ų141.355%0.55371%0.707SS**THydrogen-bonded Turntrans-84.1-11.7-175-163.1-102.8000114.1
310K36.4Very low48.5Very low201 Ų201148.2 Ų148.287%0.87474%0.744SS**THydrogen-bonded Turntrans-89.65-176.4-127.1178.7-175-179.30114.8
311R33.8Very low46.7Very low227 Ų227144.7 Ų144.786%0.85775%0.746SS**  trans-138.381.9177-83.2-174.6171.8178.9-1.8110.8
312R33.3Very low44.6Very low321 Ų321145.9 Ų145.9100%1.21174%0.742SS**  trans1740138-98.2171.3-174.6-165.63.2111.2

Retrieved 312 of 312 residues in 196.3 ms (Link to these results)