A0A096NEZ2_PAPAN Loading...

Transmembrane protein 168

AlphaFold DB (A0A2K6M453), UniProt , Accession A0A096NEZ2, Species PAPAN (Papio anubis, Olive baboon), Gene TMEM168, Length 697 aa.

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

 

Download Structure   PDB   PAE   Table  
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
1M31.4Very low46.8Very low193 Ų193114.2 Ų114.295%0.95158%0.58SS**  0-60.60-98.5165.267.800112.7K3 S4 L5M1-K3 VanDerWaalsContact C-N 3.31Å; M1-K3 PolarHBondContact O-N 2.77Å; M1-S4 PolarHBondContact O-N 2.7Å; M1-L5 PolarHBondContact O-N 3.11Å; M1-L5 VanDerWaalsContact O-N 3.14Å
2C33.9Very low48.1Very low108 Ų108111.2 Ų111.273%0.7358%0.576SS**Hα-helixtrans-58.2-34.4-174.4-55.50000115R6C2-R6 WeakPolarHBondContact O-CB 3.19Å; C2-R6 PolarHBondContact O-N 3.17Å
3K38.3Very low49.3Very low189 Ų189106.1 Ų106.182%0.82255%0.549SS*.Hα-helixtrans-66.8-35.2176-70-172.3177.9-176.30113.8M1 Y7M1-K3 VanDerWaalsContact C-N 3.31Å; M1-K3 PolarHBondContact O-N 2.77Å; K3-Y7 WeakPolarHBondContact O-CB 3.43Å; K3-Y7 PolarHBondContact O-N 3.01Å
4S36.4Very low50.4Low87 Ų87107.9 Ų107.961%0.60855%0.547SS*.Hα-helixtrans-80.8-37.9-178.8169.50000112M1 Y7 C8M1-S4 PolarHBondContact O-N 2.7Å; S4-Y7 PolarHBondContact O-N 2.91Å; S4-C8 VanDerWaalsContact O-CB 3.32Å; S4-C8 WeakPolarHBondContact O-CB 3.2Å; S4-C8 PolarHBondContact O-N 2.85Å
5L40.9Very low51.4Low115 Ų115106.1 Ų106.160%0.60254%0.539SS*.Hα-helixtrans-64.9-42.2170.2-82.4161.2000111.6M1 Y7 C8 F9M1-L5 PolarHBondContact O-N 3.11Å; M1-L5 VanDerWaalsContact O-N 3.14Å; L5-Y7 PolarHBondContact O-N 3.37Å; L5-C8 PolarHBondContact O-N 3.07Å; L5-F9 VanDerWaalsContact O-CB 3.31Å; L5-F9 WeakPolarHBondContact O-CB 3.3Å; L5-F9 PolarHBondContact O-N 2.72Å
6R52.7Low52.3Low86 Ų86103.1 Ų103.133%0.32554%0.535SS..Hα-helixtrans-60.9-44.9175.7-176.3169.5-178.4176.6-1.4111.9C2 S10 I241 Y242 S244C2-R6 WeakPolarHBondContact O-CB 3.19Å; C2-R6 PolarHBondContact O-N 3.17Å; R6-S10 VanDerWaalsContact O-CB 3.26Å; R6-S10 WeakPolarHBondContact O-CB 3.41Å; R6-S10 PolarHBondContact O-N 3.31Å; R6-S10 PolarHBondContact O-OG 2.96Å; R6-I241 PolarHBondContact NH2-O 3.24Å; R6-Y242 WeakPolarHBondContact CA-OH 3.33Å; R6-Y242 HydrophobicContact CB-CE2 4.14Å; R6-Y242 HydrophobicContact CG-CD2 4.38Å; R6-Y242 HydrophobicContact CG-CE1 4.45Å; R6-Y242 HydrophobicContact CG-CE2 3.69Å; R6-Y242 PolarHBondContact NE-O 3.09Å; R6-Y242 PolarHBondContact NH2-O 2.94Å; R6-S244 PolarHBondContact NH2-O 3.49Å
7Y51.7Low52.9Low153 Ų15399.6 Ų99.660%0.652%0.517SS*.Hα-helixtrans-64.2-45.2175.4-175.4-97.2000112.2K3 S4 L5 S10 H11K3-Y7 WeakPolarHBondContact O-CB 3.43Å; K3-Y7 PolarHBondContact O-N 3.01Å; S4-Y7 PolarHBondContact O-N 2.91Å; L5-Y7 PolarHBondContact O-N 3.37Å; Y7-S10 PolarHBondContact O-OG 3.31Å; Y7-S10 VanDerWaalsContact O-OG 3.08Å; Y7-H11 AromaticContact CZ-CD2 3.97Å; Y7-H11 WeakPolarHBondContact O-CB 3.27Å; Y7-H11 PolarHBondContact O-N 2.92Å
8C49.5Very low53.6Low70 Ų7096.1 Ų96.147%0.47350%0.5SS..Hα-helixtrans-64.2-46.1179.2-172.20000111.5S4 L5 H11 C12S4-C8 VanDerWaalsContact O-CB 3.32Å; S4-C8 WeakPolarHBondContact O-CB 3.2Å; S4-C8 PolarHBondContact O-N 2.85Å; L5-C8 PolarHBondContact O-N 3.07Å; C8-H11 PolarHBondContact O-N 3.33Å; C8-C12 VanDerWaalsContact O-CB 3.31Å; C8-C12 WeakPolarHBondContact O-CB 3.42Å; C8-C12 PolarHBondContact O-N 3.45Å; C8-C12 PolarHBondContact O-SG 2.95Å
9F59.5Low54.2Low121 Ų12199.9 Ų99.953%0.53151%0.508SS..Hα-helixtrans-66.3-44.5178.6-167.4-103.5000112L5 H11 C12 L13 Y242L5-F9 VanDerWaalsContact O-CB 3.31Å; L5-F9 WeakPolarHBondContact O-CB 3.3Å; L5-F9 PolarHBondContact O-N 2.72Å; F9-H11 VanDerWaalsContact C-N 3.34Å; F9-H11 PolarHBondContact O-N 3Å; F9-C12 PolarHBondContact O-N 3.04Å; F9-L13 HydrophobicContact CD1-CD1 3.54Å; F9-L13 HydrophobicContact CE1-CD1 3.17Å; F9-L13 HydrophobicContact CE1-CG 4.42Å; F9-L13 HydrophobicContact CE2-CD1 4.41Å; F9-L13 HydrophobicContact CG-CD1 4.31Å; F9-L13 HydrophobicContact CZ-CD1 3.67Å; F9-L13 WeakPolarHBondContact O-CB 3.29Å; F9-L13 PolarHBondContact O-N 3.24Å; F9-Y242 HydrophobicContact CD1-CE1 4.45Å
10S56.2Low54.7Low50 Ų5099.7 Ų99.735%0.3551%0.507SS..Hα-helixtrans-64-39.9176.568.30000111.9R6 Y7 Y14R6-S10 VanDerWaalsContact O-CB 3.26Å; R6-S10 WeakPolarHBondContact O-CB 3.41Å; R6-S10 PolarHBondContact O-N 3.31Å; R6-S10 PolarHBondContact O-OG 2.96Å; Y7-S10 PolarHBondContact O-OG 3.31Å; Y7-S10 VanDerWaalsContact O-OG 3.08Å; S10-Y14 WeakPolarHBondContact O-CB 3.03Å; S10-Y14 PolarHBondContact O-N 3.4Å
11H63.9Low55.1Low84 Ų8499 Ų9939%0.38950%0.502SS..Hα-helixtrans-73.2-37.2-179.3-162.7-64.9000111.9Y7 C8 F9 L15Y7-H11 AromaticContact CZ-CD2 3.97Å; Y7-H11 WeakPolarHBondContact O-CB 3.27Å; Y7-H11 PolarHBondContact O-N 2.92Å; C8-H11 PolarHBondContact O-N 3.33Å; F9-H11 VanDerWaalsContact C-N 3.34Å; F9-H11 PolarHBondContact O-N 3Å; H11-L15 WeakPolarHBondContact CE1-CD1 3.26Å; H11-L15 VanDerWaalsContact ND1-CD1 3.31Å; H11-L15 WeakPolarHBondContact ND1-CD1 3.34Å; H11-L15 WeakPolarHBondContact O-CB 3.29Å; H11-L15 PolarHBondContact O-N 2.89Å
12C63.3Low56.8Low78 Ų7896.5 Ų96.553%0.52749%0.488SS..Hα-helixtrans-67.2-42174.1-68.10000111.5C8 F9 L15 A16C8-C12 VanDerWaalsContact O-CB 3.31Å; C8-C12 WeakPolarHBondContact O-CB 3.42Å; C8-C12 PolarHBondContact O-N 3.45Å; C8-C12 PolarHBondContact O-SG 2.95Å; F9-C12 PolarHBondContact O-N 3.04Å; C12-L15 PolarHBondContact O-N 3.11Å; C12-A16 WeakPolarHBondContact O-CB 3.02Å; C12-A16 PolarHBondContact O-N 3.5Å
13L63.3Low58.2Low45 Ų4597 Ų9724%0.23649%0.487CS..Hα-helixtrans-64.9-43.8174.8-93.6161.5000112.3F9 L15 A16 M17 I143F9-L13 HydrophobicContact CD1-CD1 3.54Å; F9-L13 HydrophobicContact CE1-CD1 3.17Å; F9-L13 HydrophobicContact CE1-CG 4.42Å; F9-L13 HydrophobicContact CE2-CD1 4.41Å; F9-L13 HydrophobicContact CG-CD1 4.31Å; F9-L13 HydrophobicContact CZ-CD1 3.67Å; F9-L13 WeakPolarHBondContact O-CB 3.29Å; F9-L13 PolarHBondContact O-N 3.24Å; L13-L15 VanDerWaalsContact C-N 3.34Å; L13-A16 PolarHBondContact O-N 2.94Å; L13-M17 WeakPolarHBondContact O-CB 3.36Å; L13-M17 PolarHBondContact O-N 3.25Å; L13-I143 HydrophobicContact CB-CG2 4.09Å; L13-I143 HydrophobicContact CD2-CD1 4.34Å; L13-I143 HydrophobicContact CD2-CG2 3.77Å; L13-I143 HydrophobicContact CG-CG2 4.39Å
14Y64.6Low59.2Low131 Ų13192.4 Ų92.451%0.51447%0.472SS..Hα-helixtrans-62.8-41.5176.1-176-100.7000111.4S10 M17 T18S10-Y14 WeakPolarHBondContact O-CB 3.03Å; S10-Y14 PolarHBondContact O-N 3.4Å; Y14-M17 PolarHBondContact O-N 2.95Å; Y14-T18 HydrophobicContact CD1-CG2 4.18Å; Y14-T18 HydrophobicContact CE1-CG2 3.76Å; Y14-T18 HydrophobicContact CE2-CG2 4.16Å; Y14-T18 WeakPolarHBondContact O-CB 3.38Å; Y14-T18 WeakPolarHBondContact O-CG2 3.31Å; Y14-T18 PolarHBondContact O-N 3.15Å; Y14-T18 PolarHBondContact O-OG1 2.62Å
15L65.9Low60.3Low81 Ų8199.3 Ų99.342%0.42448%0.484SS..Hα-helixtrans-64.4-41.7174.5-120.7112.1000112.4H11 C12 L13 M17 T18 R19H11-L15 WeakPolarHBondContact CE1-CD1 3.26Å; H11-L15 VanDerWaalsContact ND1-CD1 3.31Å; H11-L15 WeakPolarHBondContact ND1-CD1 3.34Å; H11-L15 WeakPolarHBondContact O-CB 3.29Å; H11-L15 PolarHBondContact O-N 2.89Å; C12-L15 PolarHBondContact O-N 3.11Å; L13-L15 VanDerWaalsContact C-N 3.34Å; L15-M17 VanDerWaalsContact C-N 3.33Å; L15-T18 VanDerWaalsContact CA-OG1 3.3Å; L15-T18 WeakPolarHBondContact CA-OG1 3.49Å; L15-T18 PolarHBondContact O-OG1 2.9Å; L15-R19 WeakPolarHBondContact O-CB 3.42Å; L15-R19 VanDerWaalsContact O-CG 3.24Å; L15-R19 WeakPolarHBondContact O-CG 3.24Å; L15-R19 PolarHBondContact O-N 3.4Å
16A65.4Low60.8Low59 Ų59103.1 Ų103.149%0.48850%0.499SS..Hα-helixtrans-64.6-40.2177.600000111.3C12 L13 L20C12-A16 WeakPolarHBondContact O-CB 3.02Å; C12-A16 PolarHBondContact O-N 3.5Å; L13-A16 PolarHBondContact O-N 2.94Å; A16-L20 WeakPolarHBondContact O-CB 3.39Å; A16-L20 PolarHBondContact O-N 2.84Å
17M62.4Low61.1Low44 Ų44103 Ų10322%0.21751%0.508CS..Hα-helixtrans-71.7-42.6177.8-81.6-142.4168.300113.3L13 Y14 L15 R19 L20 E21 V140 I143 S144L13-M17 WeakPolarHBondContact O-CB 3.36Å; L13-M17 PolarHBondContact O-N 3.25Å; Y14-M17 PolarHBondContact O-N 2.95Å; L15-M17 VanDerWaalsContact C-N 3.33Å; M17-R19 VanDerWaalsContact C-N 3.3Å; M17-R19 PolarHBondContact O-N 2.82Å; M17-L20 WeakPolarHBondContact O-CA 3.36Å; M17-L20 WeakPolarHBondContact O-CB 3.39Å; M17-L20 PolarHBondContact O-N 3.28Å; M17-E21 WeakPolarHBondContact O-CB 3.22Å; M17-E21 PolarHBondContact O-N 3.42Å; M17-V140 HydrophobicContact CE-CG1 4.46Å; M17-I143 HydrophobicContact CE-CB 3.93Å; M17-I143 HydrophobicContact CE-CG2 3.51Å; M17-I143 HydrophobicContact CG-CG2 3.89Å; M17-I143 HydrophobicContact SD-CB 4.17Å; M17-I143 HydrophobicContact SD-CG2 3.56Å; M17-I143 VanDerWaalsContact SD-CG2 3.56Å; M17-S144 PolarHBondContact SD-OG 3.22Å
18T65.3Low61.9Low36 Ų36100.6 Ų100.622%0.22151%0.505CS..Hα-helixtrans-61.8-39.5174.845.30000111.5Y14 L15 L20 E21 E22Y14-T18 HydrophobicContact CD1-CG2 4.18Å; Y14-T18 HydrophobicContact CE1-CG2 3.76Å; Y14-T18 HydrophobicContact CE2-CG2 4.16Å; Y14-T18 WeakPolarHBondContact O-CB 3.38Å; Y14-T18 WeakPolarHBondContact O-CG2 3.31Å; Y14-T18 PolarHBondContact O-N 3.15Å; Y14-T18 PolarHBondContact O-OG1 2.62Å; L15-T18 VanDerWaalsContact CA-OG1 3.3Å; L15-T18 WeakPolarHBondContact CA-OG1 3.49Å; L15-T18 PolarHBondContact O-OG1 2.9Å; T18-L20 VanDerWaalsContact C-N 3.34Å; T18-L20 PolarHBondContact O-N 3.22Å; T18-E21 PolarHBondContact O-N 3.5Å; T18-E22 WeakPolarHBondContact O-CG 3.32Å; T18-E22 PolarHBondContact O-N 3Å
19R65.6Low62.8Low169 Ų16999.2 Ų99.264%0.63849%0.492SS*.Hα-helixtrans-62.1-38.4170.4-75.5-120.4-174.6-172.40.7113L15 M17 V23L15-R19 WeakPolarHBondContact O-CB 3.42Å; L15-R19 VanDerWaalsContact O-CG 3.24Å; L15-R19 WeakPolarHBondContact O-CG 3.24Å; L15-R19 PolarHBondContact O-N 3.4Å; M17-R19 VanDerWaalsContact C-N 3.3Å; M17-R19 PolarHBondContact O-N 2.82Å; R19-V23 WeakPolarHBondContact O-CG2 3.5Å; R19-V23 PolarHBondContact O-N 3.16Å; R19-V23 VanDerWaalsContact O-N 3.13Å
20L63.8Low63.5Low94 Ų9497.8 Ų97.849%0.49249%0.487SS..Hα-helixtrans-68.2-37.8177.4-152.886.8000111.6A16 M17 T18 V23 N24 M29A16-L20 WeakPolarHBondContact O-CB 3.39Å; A16-L20 PolarHBondContact O-N 2.84Å; M17-L20 WeakPolarHBondContact O-CA 3.36Å; M17-L20 WeakPolarHBondContact O-CB 3.39Å; M17-L20 PolarHBondContact O-N 3.28Å; T18-L20 VanDerWaalsContact C-N 3.34Å; T18-L20 PolarHBondContact O-N 3.22Å; L20-V23 PolarHBondContact O-N 3.42Å; L20-N24 PolarHBondContact O-N 3.13Å; L20-M29 HydrophobicContact CD2-CE 3.91Å
21E63.6Low64.4Low87 Ų8797.3 Ų97.341%0.40748%0.484SS..Hα-helixtrans-68.9-36.9176.5-163.8169.4-158.800111.7M17 T18 V23 Y146M17-E21 WeakPolarHBondContact O-CB 3.22Å; M17-E21 PolarHBondContact O-N 3.42Å; T18-E21 PolarHBondContact O-N 3.5Å; E21-V23 VanDerWaalsContact C-N 3.33Å; E21-V23 PolarHBondContact O-N 3.43Å; E21-Y146 PolarHBondContact OE1-OH 3.03Å
22E66.1Low65Low139 Ų13995.6 Ų95.665%0.6548%0.481SS*.Hα-helixtrans-65.4-33.8171.6-76.9177.4175.300113T18T18-E22 WeakPolarHBondContact O-CG 3.32Å; T18-E22 PolarHBondContact O-N 3Å
23V63.3Low65.8Low118 Ų11892.3 Ų92.372%0.71546%0.459SS*.Hα-helixtrans-78.5-34.5179.31720000111.9R19 L20 E21R19-V23 WeakPolarHBondContact O-CG2 3.5Å; R19-V23 PolarHBondContact O-N 3.16Å; R19-V23 VanDerWaalsContact O-N 3.13Å; L20-V23 PolarHBondContact O-N 3.42Å; E21-V23 VanDerWaalsContact C-N 3.33Å; E21-V23 PolarHBondContact O-N 3.43Å
24N60.5Low66.6Low94 Ų9496.9 Ų96.950%0.50347%0.473SS..  trans-101.952.3-178.3-88.7-7.1000113.3L20 E26 V27L20-N24 PolarHBondContact O-N 3.13Å; N24-E26 PolarHBondContact O-N 2.94Å; N24-V27 PolarHBondContact O-N 3.33Å
25R58.4Low67.4Low231 Ų23198.6 Ų98.687%0.87248%0.48SS*.THydrogen-bonded Turntrans-54.2-18.8-179.1-87.1-179.1172.4-179.6-1.9115.9
26E52.9Low68.1Low195 Ų19597 Ų9791%0.91147%0.471SS*.THydrogen-bonded Turntrans-85.7-21.4-175.7-66.2-175.216900114.4N24N24-E26 PolarHBondContact O-N 2.94Å
27V58.8Low69Low85 Ų8595.1 Ų95.152%0.51546%0.458SS..SBendtrans-122.4111.8-178.2-176.50000109.8N24 M29 S32N24-V27 PolarHBondContact O-N 3.33Å; V27-M29 PolarHBondContact O-N 3.47Å; V27-S32 VanDerWaalsContact CG1-OG 3.26Å; V27-S32 WeakPolarHBondContact CG1-OG 3.5Å
28N68.1Low70Confident101 Ų10198.5 Ų98.554%0.5447%0.469SS..  trans-65106.1176.4-174.2-12.7000109.7H30 S31 S32N28-H30 PolarHBondContact O-N 2.87Å; N28-H30 VanDerWaalsContact O-N 3.13Å; N28-H30 WeakPolarHBondContact OD1-CB 3.28Å; N28-H30 PolarHBondContact OD1-N 2.88Å; N28-S31 WeakPolarHBondContact O-CA 3.49Å; N28-S31 WeakPolarHBondContact O-CB 3.29Å; N28-S31 PolarHBondContact O-N 3.05Å; N28-S31 PolarHBondContact O-OG 3.23Å; N28-S32 PolarHBondContact O-N 3.03Å
29M69Low71.1Confident41 Ų41101.2 Ų101.220%0.20248%0.482CS..Hα-helixtrans-52-38-176.7-170.671.678.600112.3L20 V27 S31 S32 V33L20-M29 HydrophobicContact CD2-CE 3.91Å; V27-M29 PolarHBondContact O-N 3.47Å; M29-S31 VanDerWaalsContact C-N 3.28Å; M29-S31 PolarHBondContact O-N 3.45Å; M29-S32 PolarHBondContact O-N 2.91Å; M29-V33 HydrophobicContact CG-CG2 4.49Å; M29-V33 VanDerWaalsContact O-CG2 3.31Å; M29-V33 WeakPolarHBondContact O-CG2 3.42Å; M29-V33 PolarHBondContact O-N 3.47Å
30H72.4Confident72.1Confident91 Ų9193.6 Ų93.642%0.42146%0.455SS..Hα-helixtrans-59.3-37.5175.9179.9-99.5000112.7N28 R34 Y146N28-H30 PolarHBondContact O-N 2.87Å; N28-H30 VanDerWaalsContact O-N 3.13Å; N28-H30 WeakPolarHBondContact OD1-CB 3.28Å; N28-H30 PolarHBondContact OD1-N 2.88Å; H30-R34 WeakPolarHBondContact O-CB 3.35Å; H30-R34 PolarHBondContact O-N 2.86Å; H30-R34 VanDerWaalsContact O-N 3.15Å; H30-Y146 HydrophobicContact CB-CE1 4.26Å; H30-Y146 HydrophobicContact CB-CE2 4.29Å; H30-Y146 AromaticContact CD2-CD1 3.95Å
31S75Confident73.2Confident40 Ų4093.1 Ų93.128%0.2845%0.447SS..Hα-helixtrans-68.6-43.3175.873.40000111.5N28 M29 V33 R34 Y35N28-S31 WeakPolarHBondContact O-CA 3.49Å; N28-S31 WeakPolarHBondContact O-CB 3.29Å; N28-S31 PolarHBondContact O-N 3.05Å; N28-S31 PolarHBondContact O-OG 3.23Å; M29-S31 VanDerWaalsContact C-N 3.28Å; M29-S31 PolarHBondContact O-N 3.45Å; S31-V33 PolarHBondContact O-N 3.34Å; S31-R34 WeakPolarHBondContact O-CB 3.41Å; S31-R34 PolarHBondContact O-N 3.08Å; S31-Y35 WeakPolarHBondContact O-CD2 3.41Å; S31-Y35 PolarHBondContact O-N 3.35Å
32S78.4Confident74.3Confident48 Ų4893.9 Ų93.934%0.33645%0.453SS..Hα-helixtrans-62-42177.9-55.20000112.4V27 N28 M29 R34 Y35 L36V27-S32 VanDerWaalsContact CG1-OG 3.26Å; V27-S32 WeakPolarHBondContact CG1-OG 3.5Å; N28-S32 PolarHBondContact O-N 3.03Å; M29-S32 PolarHBondContact O-N 2.91Å; S32-R34 VanDerWaalsContact C-N 3.34Å; S32-Y35 PolarHBondContact O-N 3.25Å; S32-L36 PolarHBondContact O-N 3.43Å
33V79.1Confident75.6Confident10 Ų1088.6 Ų88.66%0.06143%0.428CS..Hα-helixtrans-62.7-42.4175.4174.90000111M29 S31 Y35 L36 G37 V140 E141M29-V33 HydrophobicContact CG-CG2 4.49Å; M29-V33 VanDerWaalsContact O-CG2 3.31Å; M29-V33 WeakPolarHBondContact O-CG2 3.42Å; M29-V33 PolarHBondContact O-N 3.47Å; S31-V33 PolarHBondContact O-N 3.34Å; V33-Y35 PolarHBondContact O-N 3.35Å; V33-L36 WeakPolarHBondContact O-CB 3.24Å; V33-L36 PolarHBondContact O-N 2.98Å; V33-G37 PolarHBondContact O-N 2.88Å; V33-V140 HydrophobicContact CG2-CG1 3.5Å; V33-E141 HydrophobicContact CG1-CB 4.48Å; V33-E141 HydrophobicContact CG1-CG 3.35Å
34R79.8Confident76.9Confident141 Ų14184.3 Ų84.353%0.53240%0.402SS..Hα-helixtrans-63.4-41.2176-167.2179.2177.1172.4-0.2112.2H30 S31 S32 G37 Y38H30-R34 WeakPolarHBondContact O-CB 3.35Å; H30-R34 PolarHBondContact O-N 2.86Å; H30-R34 VanDerWaalsContact O-N 3.15Å; S31-R34 WeakPolarHBondContact O-CB 3.41Å; S31-R34 PolarHBondContact O-N 3.08Å; S32-R34 VanDerWaalsContact C-N 3.34Å; R34-G37 PolarHBondContact O-N 3.35Å; R34-Y38 HydrophobicContact CG-CD2 4.22Å; R34-Y38 HydrophobicContact CG-CE2 3.6Å; R34-Y38 PolarHBondContact NE-OH 3Å; R34-Y38 PolarHBondContact NH2-OH 3.47Å; R34-Y38 VanDerWaalsContact O-CD2 3.24Å; R34-Y38 WeakPolarHBondContact O-CD2 3.34Å; R34-Y38 PolarHBondContact O-N 3.19Å
35Y80.8Confident78.3Confident166 Ų16682.2 Ų82.265%0.65139%0.39SS*.Hα-helixtrans-64.7-37.9174.4-76.7-65.8000112.6S31 S32 V33 G37 Y38 L39S31-Y35 WeakPolarHBondContact O-CD2 3.41Å; S31-Y35 PolarHBondContact O-N 3.35Å; S32-Y35 PolarHBondContact O-N 3.25Å; V33-Y35 PolarHBondContact O-N 3.35Å; Y35-G37 VanDerWaalsContact C-N 3.33Å; Y35-G37 PolarHBondContact O-N 3.13Å; Y35-Y38 PolarHBondContact O-N 2.99Å; Y35-L39 WeakPolarHBondContact O-CB 3.44Å; Y35-L39 PolarHBondContact O-N 3.34Å
36L82.5Confident79.9Confident48 Ų4874.8 Ų74.825%0.25137%0.37SS..Hα-helixtrans-61.8-41.6174.6-173.666.1000111.5S32 V33 L39 A40 L133 C137S32-L36 PolarHBondContact O-N 3.43Å; V33-L36 WeakPolarHBondContact O-CB 3.24Å; V33-L36 PolarHBondContact O-N 2.98Å; L36-L39 PolarHBondContact O-N 3.07Å; L36-A40 PolarHBondContact O-N 3.41Å; L36-L133 HydrophobicContact CD1-CD2 3.86Å; L36-C137 HydrophobicContact CD2-CB 3.98Å; L36-C137 HydrophobicContact CG-CB 4.13Å
37G83.1Confident81.7Confident20 Ų2065.5 Ų65.521%0.20633%0.327CS..Hα-helixtrans-62.7-41.6173.800000113.2V33 R34 Y35 A40 R41V33-G37 PolarHBondContact O-N 2.88Å; R34-G37 PolarHBondContact O-N 3.35Å; Y35-G37 VanDerWaalsContact C-N 3.33Å; Y35-G37 PolarHBondContact O-N 3.13Å; G37-A40 PolarHBondContact O-N 3.37Å; G37-R41 PolarHBondContact O-N 2.83Å
38Y84.3Confident83.2Confident115 Ų11561.4 Ų61.445%0.45130%0.302SS..Hα-helixtrans-65.8-42.5174.2-69.1-45.9000112.4R34 Y35 A40 R41 I42R34-Y38 HydrophobicContact CG-CD2 4.22Å; R34-Y38 HydrophobicContact CG-CE2 3.6Å; R34-Y38 PolarHBondContact NE-OH 3Å; R34-Y38 PolarHBondContact NH2-OH 3.47Å; R34-Y38 VanDerWaalsContact O-CD2 3.24Å; R34-Y38 WeakPolarHBondContact O-CD2 3.34Å; R34-Y38 PolarHBondContact O-N 3.19Å; Y35-Y38 PolarHBondContact O-N 2.99Å; Y38-A40 VanDerWaalsContact C-N 3.31Å; Y38-A40 PolarHBondContact O-N 3.22Å; Y38-R41 PolarHBondContact O-N 3.19Å; Y38-I42 WeakPolarHBondContact O-CG1 3.5Å; Y38-I42 PolarHBondContact O-N 2.75Å
39L87.4Confident84.2Confident93 Ų9358.6 Ų58.649%0.48729%0.29SS..Hα-helixtrans-58.5-43.7176.4-17768.3000111.2Y35 L36 R41 I42 N43 L133Y35-L39 WeakPolarHBondContact O-CB 3.44Å; Y35-L39 PolarHBondContact O-N 3.34Å; L36-L39 PolarHBondContact O-N 3.07Å; L39-R41 VanDerWaalsContact C-N 3.35Å; L39-R41 PolarHBondContact O-N 3.02Å; L39-I42 PolarHBondContact O-N 2.95Å; L39-N43 VanDerWaalsContact O-CB 3.24Å; L39-N43 WeakPolarHBondContact O-CB 3.24Å; L39-N43 PolarHBondContact O-N 3.43Å; L39-L133 HydrophobicContact CD2-CD1 4.35Å; L39-L133 HydrophobicContact CG-CD1 4.33Å
40A86.3Confident85.2Confident9 Ų958.9 Ų58.97%0.07429%0.292CS..Hα-helixtrans-59.3-43.6176.700000112.1L36 G37 Y38 L44 L133L36-A40 PolarHBondContact O-N 3.41Å; G37-A40 PolarHBondContact O-N 3.37Å; Y38-A40 VanDerWaalsContact C-N 3.31Å; Y38-A40 PolarHBondContact O-N 3.22Å; A40-L44 WeakPolarHBondContact O-CB 3.39Å; A40-L44 PolarHBondContact O-N 2.94Å; A40-L133 HydrophobicContact CB-CB 3.89Å
41R86.6Confident86Confident84 Ų8454.5 Ų54.532%0.31727%0.272SS..Hα-helixtrans-68.6-40.1177.7-76.7-170.1171.9-118.9-5.4113G37 Y38 L39 L44 L45 N96G37-R41 PolarHBondContact O-N 2.83Å; Y38-R41 PolarHBondContact O-N 3.19Å; L39-R41 VanDerWaalsContact C-N 3.35Å; L39-R41 PolarHBondContact O-N 3.02Å; R41-L44 PolarHBondContact O-N 3.37Å; R41-L45 PolarHBondContact O-N 3.37Å; R41-N96 PolarHBondContact NH1-OD1 2.98Å; R41-N96 PolarHBondContact NH2-OD1 3.45Å
42I88.8Confident86.6Confident103 Ų10352.8 Ų52.853%0.52826%0.259SS..Hα-helixtrans-65.7-46.3176.5-68.4168.2000110Y38 L39 L44 L45 V46Y38-I42 WeakPolarHBondContact O-CG1 3.5Å; Y38-I42 PolarHBondContact O-N 2.75Å; L39-I42 PolarHBondContact O-N 2.95Å; I42-L44 VanDerWaalsContact C-N 3.28Å; I42-L44 PolarHBondContact O-N 3.46Å; I42-L45 WeakPolarHBondContact O-CB 3.4Å; I42-L45 PolarHBondContact O-N 3.46Å; I42-L45 VanDerWaalsContact O-N 3.12Å; I42-V46 HydrophobicContact CG2-CG2 4.38Å; I42-V46 WeakPolarHBondContact O-CG2 3.41Å; I42-V46 PolarHBondContact O-N 3.31Å
43N92.3Very high87Confident27 Ų2755.3 Ų55.314%0.14426%0.262CS..Hα-helixtrans-59.2-41.3177.6-171.266.7000111.6L39 V46 A47 L126 S130 L133L39-N43 VanDerWaalsContact O-CB 3.24Å; L39-N43 WeakPolarHBondContact O-CB 3.24Å; L39-N43 PolarHBondContact O-N 3.43Å; N43-V46 PolarHBondContact O-N 3.39Å; N43-A47 WeakPolarHBondContact O-CB 3.39Å; N43-A47 PolarHBondContact O-N 2.98Å; N43-L126 PolarHBondContact ND2-O 3.42Å; N43-L126 VanDerWaalsContact OD1-CD2 3.27Å; N43-L126 WeakPolarHBondContact OD1-CD2 3.4Å; N43-S130 PolarHBondContact ND2-N 3.3Å; N43-S130 PolarHBondContact ND2-OG 2.67Å; N43-L133 HydrophobicContact CB-CD1 4.44Å
44L90.2Very high87.4Confident29 Ų2954.8 Ų54.815%0.15226%0.259CS..Hα-helixtrans-62.6-44.4173.9-178.962.7000112.1A40 R41 I42 A47 I48 L127 S130A40-L44 WeakPolarHBondContact O-CB 3.39Å; A40-L44 PolarHBondContact O-N 2.94Å; R41-L44 PolarHBondContact O-N 3.37Å; I42-L44 VanDerWaalsContact C-N 3.28Å; I42-L44 PolarHBondContact O-N 3.46Å; L44-A47 WeakPolarHBondContact O-CB 3.35Å; L44-A47 PolarHBondContact O-N 3.43Å; L44-I48 HydrophobicContact CD1-CD1 4.09Å; L44-I48 HydrophobicContact CD1-CG1 4.37Å; L44-I48 HydrophobicContact CG-CD1 3.91Å; L44-I48 VanDerWaalsContact O-CG1 3.26Å; L44-I48 WeakPolarHBondContact O-CG1 3.42Å; L44-I48 PolarHBondContact O-N 3.31Å; L44-L127 HydrophobicContact CD1-CD2 3.99Å; L44-S130 WeakPolarHBondContact CA-OG 3.49Å; L44-S130 PolarHBondContact N-OG 3.27Å
45L90Very high87.6Confident50 Ų5048.2 Ų48.226%0.26223%0.234SC..Hα-helixtrans-60.4-46.3176.8-177.465.2000111.5R41 I42 A47 I48 C49 F99R41-L45 PolarHBondContact O-N 3.37Å; I42-L45 WeakPolarHBondContact O-CB 3.4Å; I42-L45 PolarHBondContact O-N 3.46Å; I42-L45 VanDerWaalsContact O-N 3.12Å; L45-A47 VanDerWaalsContact C-N 3.33Å; L45-A47 PolarHBondContact O-N 2.59Å; L45-I48 PolarHBondContact O-N 3.33Å; L45-C49 WeakPolarHBondContact O-CB 3.47Å; L45-C49 PolarHBondContact O-N 3.25Å; L45-C49 PolarHBondContact O-SG 2.96Å; L45-C49 VanDerWaalsContact O-SG 3.34Å; L45-F99 HydrophobicContact CB-CE1 3.97Å; L45-F99 HydrophobicContact CB-CZ 4.27Å; L45-F99 HydrophobicContact CD1-CE1 3.84Å; L45-F99 HydrophobicContact CD1-CZ 4.14Å; L45-F99 HydrophobicContact CG-CE1 4.47Å
46V91.8Very high87.9Confident74 Ų7444.6 Ų44.645%0.44822%0.22SC..Hα-helixtrans-60.6-44177.3174.50000110.7I42 N43 I48 C49 L50 L126I42-V46 HydrophobicContact CG2-CG2 4.38Å; I42-V46 WeakPolarHBondContact O-CG2 3.41Å; I42-V46 PolarHBondContact O-N 3.31Å; N43-V46 PolarHBondContact O-N 3.39Å; V46-I48 PolarHBondContact O-N 3.4Å; V46-C49 PolarHBondContact O-N 3.47Å; V46-L50 VanDerWaalsContact O-CB 3.31Å; V46-L50 WeakPolarHBondContact O-CB 3.28Å; V46-L50 PolarHBondContact O-N 3.48Å; V46-L126 HydrophobicContact CG1-CD1 4.17Å
47A91.6Very high88Confident0 Ų046.1 Ų46.10%023%0.225CC..Hα-helixtrans-58.6-47.1176.200000111.7N43 L44 L45 L50 G51 T123 L126 L127N43-A47 WeakPolarHBondContact O-CB 3.39Å; N43-A47 PolarHBondContact O-N 2.98Å; L44-A47 WeakPolarHBondContact O-CB 3.35Å; L44-A47 PolarHBondContact O-N 3.43Å; L45-A47 VanDerWaalsContact C-N 3.33Å; L45-A47 PolarHBondContact O-N 2.59Å; A47-L50 PolarHBondContact O-N 2.93Å; A47-G51 PolarHBondContact O-N 2.85Å; A47-T123 WeakPolarHBondContact O-CG2 3.32Å; A47-L126 HydrophobicContact CB-CB 3.58Å; A47-L126 HydrophobicContact CB-CD1 4.48Å; A47-L127 HydrophobicContact CB-CD2 3.91Å; A47-L127 HydrophobicContact CB-CG 4.04Å
48I89.9Confident87.9Confident0 Ų050.8 Ų50.80%024%0.24CC..Hα-helixtrans-63.5-47.8179.5-70.4168.3000110.9L44 L45 V46 L50 G51 L52 F99 L102 L103L44-I48 HydrophobicContact CD1-CD1 4.09Å; L44-I48 HydrophobicContact CD1-CG1 4.37Å; L44-I48 HydrophobicContact CG-CD1 3.91Å; L44-I48 VanDerWaalsContact O-CG1 3.26Å; L44-I48 WeakPolarHBondContact O-CG1 3.42Å; L44-I48 PolarHBondContact O-N 3.31Å; L45-I48 PolarHBondContact O-N 3.33Å; V46-I48 PolarHBondContact O-N 3.4Å; I48-L50 PolarHBondContact O-N 3.3Å; I48-G51 PolarHBondContact O-N 3.19Å; I48-L52 HydrophobicContact CG2-CD1 4.01Å; I48-L52 WeakPolarHBondContact O-CG 3.31Å; I48-L52 PolarHBondContact O-N 3.46Å; I48-F99 HydrophobicContact CD1-CD1 4.14Å; I48-L102 HydrophobicContact CG2-CB 3.54Å; I48-L102 HydrophobicContact CG2-CD1 3.84Å; I48-L102 HydrophobicContact CG2-CG 4.28Å; I48-L103 HydrophobicContact CD1-CB 4.3Å; I48-L103 HydrophobicContact CD1-CD1 4.38Å; I48-L103 HydrophobicContact CG1-CD1 4.27Å
49C89.4Confident87.7Confident41 Ų4148.4 Ų48.428%0.27724%0.238SC..Hα-helixtrans-61.5-44.6178.9-71.60000111.7L45 V46 L52 Y53 F68L45-C49 WeakPolarHBondContact O-CB 3.47Å; L45-C49 PolarHBondContact O-N 3.25Å; L45-C49 PolarHBondContact O-SG 2.96Å; L45-C49 VanDerWaalsContact O-SG 3.34Å; V46-C49 PolarHBondContact O-N 3.47Å; C49-L52 PolarHBondContact O-N 2.95Å; C49-Y53 WeakPolarHBondContact O-CB 3.47Å; C49-Y53 PolarHBondContact O-N 3.22Å; C49-F68 HydrophobicContact CB-CE2 4.34Å
50L90.1Very high87.4Confident47 Ų4747.9 Ų47.925%0.24625%0.246CC..Hα-helixtrans-62.6-46.6177.4-174.363.9000111.1V46 A47 I48 L52 Y53 V54 K119 T123 L126V46-L50 VanDerWaalsContact O-CB 3.31Å; V46-L50 WeakPolarHBondContact O-CB 3.28Å; V46-L50 PolarHBondContact O-N 3.48Å; A47-L50 PolarHBondContact O-N 2.93Å; I48-L50 PolarHBondContact O-N 3.3Å; L50-L52 PolarHBondContact O-N 3.13Å; L50-Y53 PolarHBondContact O-N 3.3Å; L50-V54 VanDerWaalsContact O-CG2 3.29Å; L50-V54 WeakPolarHBondContact O-CG2 3.46Å; L50-V54 PolarHBondContact O-N 3.18Å; L50-K119 HydrophobicContact CD1-CB 4.5Å; L50-T123 WeakPolarHBondContact CG-OG1 3.41Å; L50-L126 HydrophobicContact CD2-CD1 4.02Å
51G88.4Confident87.1Confident0 Ų050.2 Ų50.20%026%0.258CS..Hα-helixtrans-62.6-39.3179.400000113.6A47 I48 R55 T123A47-G51 PolarHBondContact O-N 2.85Å; I48-G51 PolarHBondContact O-N 3.19Å; G51-R55 WeakPolarHBondContact O-CD 3.46Å; G51-R55 WeakPolarHBondContact O-CG 3.36Å; G51-R55 PolarHBondContact O-N 3.15Å; G51-T123 PolarHBondContact N-OG1 3.27Å
52L87.3Confident87Confident4 Ų450 Ų502%0.02127%0.269CS..Hα-helixtrans-71.4-38.4174.6-67.6175.3000112.1I48 C49 L50 R55 W56 I64 L102 L105 L106 L109I48-L52 HydrophobicContact CG2-CD1 4.01Å; I48-L52 WeakPolarHBondContact O-CG 3.31Å; I48-L52 PolarHBondContact O-N 3.46Å; C49-L52 PolarHBondContact O-N 2.95Å; L50-L52 PolarHBondContact O-N 3.13Å; L52-R55 PolarHBondContact O-N 3.33Å; L52-W56 PolarHBondContact O-N 2.93Å; L52-I64 HydrophobicContact CB-CG2 4.42Å; L52-L102 HydrophobicContact CD1-CD2 3.82Å; L52-L105 HydrophobicContact CD2-CD2 3.78Å; L52-L105 HydrophobicContact CD2-CG 4.29Å; L52-L106 HydrophobicContact CD2-CD1 4.33Å; L52-L106 HydrophobicContact CG-CD1 4.41Å; L52-L109 HydrophobicContact CD2-CD1 4.1Å
53Y87.7Confident86.7Confident100 Ų10050.4 Ų50.439%0.39227%0.272SS..Hα-helixtrans-61.9-46.7177.2172.4-99000112C49 L50 R55 W56 E57C49-Y53 WeakPolarHBondContact O-CB 3.47Å; C49-Y53 PolarHBondContact O-N 3.22Å; L50-Y53 PolarHBondContact O-N 3.3Å; Y53-R55 PolarHBondContact O-N 3.48Å; Y53-W56 AromaticContact CD2-CE3 3.96Å; Y53-W56 HydrophobicContact CD2-CE3 3.96Å; Y53-W56 HydrophobicContact CD2-CZ3 4.24Å; Y53-W56 HydrophobicContact CE2-CE3 4.01Å; Y53-W56 AromaticContact CE2-CZ3 3.89Å; Y53-W56 HydrophobicContact CE2-CZ3 3.89Å; Y53-W56 PolarHBondContact O-N 3.31Å; Y53-W56 VanDerWaalsContact O-N 3.16Å; Y53-E57 WeakPolarHBondContact O-CB 3.45Å; Y53-E57 PolarHBondContact O-N 3.26Å
54V87.2Confident86.3Confident0 Ų049.5 Ų49.50%027%0.267CS..Hα-helixtrans-57.1-42.3177.4172.40000111.1L50 E57 K58 K119 E120L50-V54 VanDerWaalsContact O-CG2 3.29Å; L50-V54 WeakPolarHBondContact O-CG2 3.46Å; L50-V54 PolarHBondContact O-N 3.18Å; V54-E57 PolarHBondContact O-N 2.92Å; V54-K58 WeakPolarHBondContact O-CG 3.26Å; V54-K58 PolarHBondContact O-N 3.48Å; V54-K58 VanDerWaalsContact O-N 3.15Å; V54-K119 HydrophobicContact CG2-CB 3.25Å; V54-K119 HydrophobicContact CG2-CD 3.99Å; V54-K119 HydrophobicContact CG2-CG 4.26Å; V54-E120 HydrophobicContact CG1-CB 4.44Å
55R85.2Confident85.9Confident3 Ų351.5 Ų51.51%0.01128%0.277CS..Hα-helixtrans-68.2-41.7178.8-69.3168.1-174.5179.2-2.2111.7G51 L52 Y53 T59 I64 L106 F114 N222G51-R55 WeakPolarHBondContact O-CD 3.46Å; G51-R55 WeakPolarHBondContact O-CG 3.36Å; G51-R55 PolarHBondContact O-N 3.15Å; L52-R55 PolarHBondContact O-N 3.33Å; Y53-R55 PolarHBondContact O-N 3.48Å; R55-T59 VanDerWaalsContact O-CB 3.28Å; R55-T59 WeakPolarHBondContact O-CB 3.24Å; R55-T59 VanDerWaalsContact O-CG2 3.31Å; R55-T59 WeakPolarHBondContact O-CG2 3.37Å; R55-T59 PolarHBondContact O-N 3.33Å; R55-T59 PolarHBondContact O-OG1 3.04Å; R55-I64 HydrophobicContact CB-CD1 3.9Å; R55-L106 VanDerWaalsContact CZ-O 3.28Å; R55-L106 VanDerWaalsContact NH1-C 3.34Å; R55-L106 VanDerWaalsContact NH1-CD1 3.28Å; R55-L106 PolarHBondContact NH1-O 3.2Å; R55-L106 PolarHBondContact NH2-O 3.25Å; R55-F114 HydrophobicContact CG-CD2 4.48Å; R55-F114 HydrophobicContact CG-CE2 4.31Å; R55-N222 PolarHBondContact NH2-ND2 2.78Å
56W86.3Confident85.7Confident90 Ų9053.3 Ų53.334%0.34129%0.29SS..Hα-helixtrans-63.2-48.6174.5173.865.6000112L52 Y53 K58 T59 A60 I64 L65L52-W56 PolarHBondContact O-N 2.93Å; Y53-W56 AromaticContact CD2-CE3 3.96Å; Y53-W56 HydrophobicContact CD2-CE3 3.96Å; Y53-W56 HydrophobicContact CD2-CZ3 4.24Å; Y53-W56 HydrophobicContact CE2-CE3 4.01Å; Y53-W56 AromaticContact CE2-CZ3 3.89Å; Y53-W56 HydrophobicContact CE2-CZ3 3.89Å; Y53-W56 PolarHBondContact O-N 3.31Å; Y53-W56 VanDerWaalsContact O-N 3.16Å; W56-K58 PolarHBondContact O-N 3.05Å; W56-T59 PolarHBondContact O-N 2.92Å; W56-A60 WeakPolarHBondContact O-CA 3.45Å; W56-A60 PolarHBondContact O-N 2.84Å; W56-I64 HydrophobicContact CB-CB 4.17Å; W56-I64 HydrophobicContact CB-CG2 3.82Å; W56-L65 HydrophobicContact CZ2-CD1 4.04Å; W56-L65 HydrophobicContact CZ2-CD2 4.45Å
57E85.3Confident85.5Confident80 Ų8051.2 Ų51.237%0.37428%0.276SS..Hα-helixtrans-55.1-39.5-179.7-177.6-177.6-163.600111.8Y53 V54 K119Y53-E57 WeakPolarHBondContact O-CB 3.45Å; Y53-E57 PolarHBondContact O-N 3.26Å; V54-E57 PolarHBondContact O-N 2.92Å; E57-K119 IonicContact OE1-NZ 2.91Å; E57-K119 PolarHBondContact OE1-NZ 3.42Å; E57-K119 IonicContact OE2-NZ 2.7Å; E57-K119 PolarHBondContact OE2-NZ 3.49Å
58K80.4Confident85Confident117 Ų11755.2 Ų55.251%0.50929%0.294SS..Hα-helixtrans-90.8-31.4-176.7-61.1-66.8-174.8179.30114.7V54 W56 F114 D117V54-K58 WeakPolarHBondContact O-CG 3.26Å; V54-K58 PolarHBondContact O-N 3.48Å; V54-K58 VanDerWaalsContact O-N 3.15Å; W56-K58 PolarHBondContact O-N 3.05Å; K58-F114 HydrophobicContact CB-CD1 4.02Å; K58-F114 HydrophobicContact CB-CE1 3.4Å; K58-F114 HydrophobicContact CB-CZ 4.2Å; K58-F114 HydrophobicContact CG-CD1 4.08Å; K58-F114 HydrophobicContact CG-CE1 3.98Å; K58-D117 WeakPolarHBondContact CE-OD2 3.27Å; K58-D117 IonicContact NZ-OD2 3.62Å
59T79.8Confident84.8Confident66 Ų6660.1 Ų60.141%0.40532%0.319SS..Hα-helixtrans-93.5-16.9-178.662.90000113.4R55 W56 N61 F114R55-T59 VanDerWaalsContact O-CB 3.28Å; R55-T59 WeakPolarHBondContact O-CB 3.24Å; R55-T59 VanDerWaalsContact O-CG2 3.31Å; R55-T59 WeakPolarHBondContact O-CG2 3.37Å; R55-T59 PolarHBondContact O-N 3.33Å; R55-T59 PolarHBondContact O-OG1 3.04Å; W56-T59 PolarHBondContact O-N 2.92Å; T59-N61 PolarHBondContact O-N 2.85Å; T59-N61 WeakPolarHBondContact OG1-CB 3.36Å; T59-N61 PolarHBondContact OG1-N 2.9Å; T59-F114 HydrophobicContact CG2-CZ 3.74Å
60A80.4Confident84.7Confident81 Ų8162.3 Ų62.367%0.66933%0.327SS*.  trans49.623.8-169.100000113.6W56 S62W56-A60 WeakPolarHBondContact O-CA 3.45Å; W56-A60 PolarHBondContact O-N 2.84Å; A60-S62 PolarHBondContact O-N 3.18Å
61N81.2Confident84.4Confident59 Ų5960.3 Ų60.332%0.31632%0.318SS..  trans-73.6114.5-175.1-172.5-13.8000110.4T59 L63 I64T59-N61 PolarHBondContact O-N 2.85Å; T59-N61 WeakPolarHBondContact OG1-CB 3.36Å; T59-N61 PolarHBondContact OG1-N 2.9Å; N61-L63 PolarHBondContact O-N 3.12Å; N61-L63 WeakPolarHBondContact OD1-CB 3.36Å; N61-L63 PolarHBondContact OD1-N 2.97Å; N61-I64 HydrophobicContact CB-CD1 4.18Å; N61-I64 HydrophobicContact CB-CG1 4.24Å; N61-I64 PolarHBondContact O-N 3.35Å; N61-I64 VanDerWaalsContact O-N 3.12Å
62S83.8Confident84.3Confident79 Ų7965.4 Ų65.455%0.55235%0.345SS*.Hα-helixtrans-59.2-27.1179.754.80000113A60 I64 L65 V66A60-S62 PolarHBondContact O-N 3.18Å; S62-I64 VanDerWaalsContact C-N 3.34Å; S62-I64 PolarHBondContact O-N 3.43Å; S62-L65 WeakPolarHBondContact O-CB 3.39Å; S62-L65 PolarHBondContact O-N 2.88Å; S62-V66 WeakPolarHBondContact O-CG2 3.45Å; S62-V66 PolarHBondContact O-N 3.36Å
63L83.1Confident84.3Confident112 Ų11271.6 Ų71.659%0.58637%0.372SS*.Hα-helixtrans-63.1-38.5176.7-66.5172.7000112.4N61 L65 V66 I67N61-L63 PolarHBondContact O-N 3.12Å; N61-L63 WeakPolarHBondContact OD1-CB 3.36Å; N61-L63 PolarHBondContact OD1-N 2.97Å; L63-L65 VanDerWaalsContact C-N 3.33Å; L63-V66 PolarHBondContact O-N 3.02Å; L63-I67 WeakPolarHBondContact O-CD1 3.47Å; L63-I67 VanDerWaalsContact O-CG1 3.25Å; L63-I67 WeakPolarHBondContact O-CG1 3.35Å; L63-I67 PolarHBondContact O-N 3.21Å
64I83.2Confident84.4Confident8 Ų867.7 Ų67.74%0.04136%0.358CS..Hα-helixtrans-67.7-39.1179.1-57.4176.5000110L52 R55 W56 N61 S62 I67 F68 L109L52-I64 HydrophobicContact CB-CG2 4.42Å; R55-I64 HydrophobicContact CB-CD1 3.9Å; W56-I64 HydrophobicContact CB-CB 4.17Å; W56-I64 HydrophobicContact CB-CG2 3.82Å; N61-I64 HydrophobicContact CB-CD1 4.18Å; N61-I64 HydrophobicContact CB-CG1 4.24Å; N61-I64 PolarHBondContact O-N 3.35Å; N61-I64 VanDerWaalsContact O-N 3.12Å; S62-I64 VanDerWaalsContact C-N 3.34Å; S62-I64 PolarHBondContact O-N 3.43Å; I64-I67 PolarHBondContact O-N 3.26Å; I64-F68 PolarHBondContact O-N 3.34Å; I64-L109 HydrophobicContact CD1-CD1 4.22Å; I64-L109 HydrophobicContact CG1-CD1 4.46Å
65L83.1Confident84.3Confident71 Ų7170 Ų7037%0.37237%0.37SS..Hα-helixtrans-63.9-44.4175.7-174.366.6000111.7W56 S62 L63 I67 F68 I69W56-L65 HydrophobicContact CZ2-CD1 4.04Å; W56-L65 HydrophobicContact CZ2-CD2 4.45Å; S62-L65 WeakPolarHBondContact O-CB 3.39Å; S62-L65 PolarHBondContact O-N 2.88Å; L63-L65 VanDerWaalsContact C-N 3.33Å; L65-I67 VanDerWaalsContact C-N 3.32Å; L65-I67 PolarHBondContact O-N 3.5Å; L65-F68 WeakPolarHBondContact O-CB 3.41Å; L65-F68 PolarHBondContact O-N 2.89Å; L65-I69 HydrophobicContact CG-CD1 4.25Å; L65-I69 WeakPolarHBondContact O-CG1 3.49Å; L65-I69 PolarHBondContact O-N 2.95Å
66V85.9Confident84.4Confident88 Ų8871.3 Ų71.353%0.53339%0.385SS..Hα-helixtrans-59.8-43.8175.71710000110.9S62 L63 F68 I69 L70S62-V66 WeakPolarHBondContact O-CG2 3.45Å; S62-V66 PolarHBondContact O-N 3.36Å; L63-V66 PolarHBondContact O-N 3.02Å; V66-F68 VanDerWaalsContact C-N 3.3Å; V66-F68 PolarHBondContact O-N 2.98Å; V66-I69 PolarHBondContact O-N 3.35Å; V66-L70 WeakPolarHBondContact O-CB 3.37Å; V66-L70 PolarHBondContact O-N 3.12Å
67I85.9Confident84.6Confident30 Ų3069.9 Ų69.915%0.15438%0.383CS..Hα-helixtrans-62.8-38.9176.7-68.8165.1000111.2L63 I64 L65 L70 G71 W98 F101 L102 L105L63-I67 WeakPolarHBondContact O-CD1 3.47Å; L63-I67 VanDerWaalsContact O-CG1 3.25Å; L63-I67 WeakPolarHBondContact O-CG1 3.35Å; L63-I67 PolarHBondContact O-N 3.21Å; I64-I67 PolarHBondContact O-N 3.26Å; L65-I67 VanDerWaalsContact C-N 3.32Å; L65-I67 PolarHBondContact O-N 3.5Å; I67-L70 PolarHBondContact O-N 3.45Å; I67-G71 PolarHBondContact O-N 3.18Å; I67-W98 HydrophobicContact CG2-CH2 4.35Å; I67-W98 HydrophobicContact CG2-CZ2 4.35Å; I67-F101 HydrophobicContact CG2-CE1 3.99Å; I67-L102 HydrophobicContact CG2-CD2 4.06Å; I67-L105 HydrophobicContact CD1-CD1 4.23Å; I67-L105 HydrophobicContact CD1-CD2 3.66Å; I67-L105 HydrophobicContact CG2-CD2 3.88Å
68F82.1Confident84.8Confident83 Ų8366.3 Ų66.336%0.36437%0.367SS..Hα-helixtrans-64.6-45.4177.4-163.6-96.3000111.9C49 I64 L65 V66 G71 L72C49-F68 HydrophobicContact CB-CE2 4.34Å; I64-F68 PolarHBondContact O-N 3.34Å; L65-F68 WeakPolarHBondContact O-CB 3.41Å; L65-F68 PolarHBondContact O-N 2.89Å; V66-F68 VanDerWaalsContact C-N 3.3Å; V66-F68 PolarHBondContact O-N 2.98Å; F68-G71 PolarHBondContact O-N 3.28Å; F68-L72 HydrophobicContact CD1-CD1 4.18Å; F68-L72 HydrophobicContact CE1-CD1 4.03Å; F68-L72 HydrophobicContact CE1-CG 4.44Å; F68-L72 PolarHBondContact O-N 2.84Å
69I85.4Confident85.2Confident104 Ų10463.6 Ų63.653%0.53336%0.363SS..Hα-helixtrans-61.8-45.9175.5-66167.3000110.6L65 V66 G71 L72 F73L65-I69 HydrophobicContact CG-CD1 4.25Å; L65-I69 WeakPolarHBondContact O-CG1 3.49Å; L65-I69 PolarHBondContact O-N 2.95Å; V66-I69 PolarHBondContact O-N 3.35Å; I69-G71 PolarHBondContact O-N 2.96Å; I69-L72 PolarHBondContact O-N 3.26Å; I69-F73 PolarHBondContact O-N 3.18Å
70L87.4Confident85.7Confident87 Ų8764.2 Ų64.246%0.45536%0.363SS..Hα-helixtrans-59.8-38.3176.2-174.665.1000111.1V66 I67 F73 V74 W98V66-L70 WeakPolarHBondContact O-CB 3.37Å; V66-L70 PolarHBondContact O-N 3.12Å; I67-L70 PolarHBondContact O-N 3.45Å; L70-F73 WeakPolarHBondContact O-CB 3.35Å; L70-F73 PolarHBondContact O-N 3.35Å; L70-V74 HydrophobicContact CG-CG2 4.41Å; L70-V74 VanDerWaalsContact O-CG2 3.27Å; L70-V74 WeakPolarHBondContact O-CG2 3.44Å; L70-V74 PolarHBondContact O-N 3.35Å; L70-W98 HydrophobicContact CB-CH2 4.31Å; L70-W98 HydrophobicContact CD2-CH2 4.01Å; L70-W98 HydrophobicContact CD2-CZ3 4.27Å; L70-W98 HydrophobicContact CG-CH2 4.06Å; L70-W98 HydrophobicContact CG-CZ3 4.46Å
71G84Confident86.1Confident5 Ų562.2 Ų62.25%0.05234%0.341CS..Hα-helixtrans-65.2-41177.200000114.1I67 F68 I69 F73 V74 L75 W98I67-G71 PolarHBondContact O-N 3.18Å; F68-G71 PolarHBondContact O-N 3.28Å; I69-G71 PolarHBondContact O-N 2.96Å; G71-F73 VanDerWaalsContact C-N 3.29Å; G71-F73 PolarHBondContact O-N 3.04Å; G71-V74 PolarHBondContact O-N 3.19Å; G71-L75 WeakPolarHBondContact O-CB 3.3Å; G71-L75 WeakPolarHBondContact O-CG 3.45Å; G71-L75 PolarHBondContact O-N 3.3Å; G71-W98 VanDerWaalsContact CA-NE1 3.27Å
72L85.5Confident86.5Confident107 Ų10763.4 Ų63.456%0.5634%0.341SS*.Hα-helixtrans-61.9-40.2172.2-68.5173.5000111.3F68 I69 G76F68-L72 HydrophobicContact CD1-CD1 4.18Å; F68-L72 HydrophobicContact CE1-CD1 4.03Å; F68-L72 HydrophobicContact CE1-CG 4.44Å; F68-L72 PolarHBondContact O-N 2.84Å; I69-L72 PolarHBondContact O-N 3.26Å; L72-G76 PolarHBondContact O-N 3.06Å
73F88.3Confident86.8Confident133 Ų13368.1 Ų68.158%0.58335%0.348SS*.Hα-helixtrans-64.3-45.7176.5-175.2-106.8000112.3I69 L70 G71 G76 I77I69-F73 PolarHBondContact O-N 3.18Å; L70-F73 WeakPolarHBondContact O-CB 3.35Å; L70-F73 PolarHBondContact O-N 3.35Å; G71-F73 VanDerWaalsContact C-N 3.29Å; G71-F73 PolarHBondContact O-N 3.04Å; F73-G76 PolarHBondContact O-N 3.43Å; F73-I77 HydrophobicContact CD1-CD1 3.71Å; F73-I77 HydrophobicContact CE1-CD1 3.21Å; F73-I77 HydrophobicContact CE1-CG1 4.26Å; F73-I77 HydrophobicContact CE2-CD1 4.27Å; F73-I77 HydrophobicContact CG-CD1 4.43Å; F73-I77 HydrophobicContact CZ-CD1 3.54Å; F73-I77 HydrophobicContact CZ-CG1 4.29Å; F73-I77 WeakPolarHBondContact O-CG1 3.26Å; F73-I77 PolarHBondContact O-N 3.41Å
74V88.3Confident87.2Confident19 Ų1971.9 Ų71.912%0.11536%0.356CS..Hα-helixtrans-62.2-44.5177.4170.80000111.3L70 G71 G76 I77 A78 L94 W98L70-V74 HydrophobicContact CG-CG2 4.41Å; L70-V74 VanDerWaalsContact O-CG2 3.27Å; L70-V74 WeakPolarHBondContact O-CG2 3.44Å; L70-V74 PolarHBondContact O-N 3.35Å; G71-V74 PolarHBondContact O-N 3.19Å; V74-G76 VanDerWaalsContact C-N 3.34Å; V74-I77 PolarHBondContact O-N 2.78Å; V74-A78 WeakPolarHBondContact O-CB 3.44Å; V74-A78 PolarHBondContact O-N 2.9Å; V74-L94 HydrophobicContact CG1-CD1 4.02Å; V74-L94 HydrophobicContact CG1-CD2 3.93Å; V74-L94 HydrophobicContact CG1-CG 3.66Å; V74-L94 WeakPolarHBondContact O-CD2 3.32Å; V74-W98 HydrophobicContact CB-CD2 4.3Å; V74-W98 HydrophobicContact CB-CE3 4.48Å; V74-W98 HydrophobicContact CG1-CB 4.02Å; V74-W98 HydrophobicContact CG1-CD2 4.07Å; V74-W98 HydrophobicContact CG1-CE3 4.25Å; V74-W98 HydrophobicContact CG1-CG 3.95Å; V74-W98 HydrophobicContact CG2-CE3 4.21Å; V74-W98 HydrophobicContact CG2-CZ3 4.37Å
75L85.7Confident87.5Confident48 Ų4877.8 Ų77.825%0.25138%0.382SS..Hα-helixtrans-66.8-35.7175.3-70.6172.4000112.2G71 A78 S79G71-L75 WeakPolarHBondContact O-CB 3.3Å; G71-L75 WeakPolarHBondContact O-CG 3.45Å; G71-L75 PolarHBondContact O-N 3.3Å; L75-A78 PolarHBondContact O-N 2.92Å; L75-S79 WeakPolarHBondContact O-CB 3.23Å; L75-S79 PolarHBondContact O-N 2.79Å; L75-S79 PolarHBondContact O-OG 2.89Å
76G88.5Confident87.7Confident30 Ų3079.1 Ų79.131%0.30940%0.397SS..Hα-helixtrans-61.6-49.2172.900000111.9L72 F73 V74 A78 S79 I80L72-G76 PolarHBondContact O-N 3.06Å; F73-G76 PolarHBondContact O-N 3.43Å; V74-G76 VanDerWaalsContact C-N 3.34Å; G76-A78 PolarHBondContact O-N 2.7Å; G76-S79 WeakPolarHBondContact O-CB 3.37Å; G76-S79 PolarHBondContact O-N 2.88Å; G76-I80 WeakPolarHBondContact O-CG1 3.47Å; G76-I80 PolarHBondContact O-N 3.25Å
77I90.4Very high87.9Confident61 Ų6179.6 Ų79.631%0.31339%0.394SS..Hα-helixtrans-60.4-45.8174.2-70.1172.9000110.8F73 V74 S79 I80 L81 L94F73-I77 HydrophobicContact CD1-CD1 3.71Å; F73-I77 HydrophobicContact CE1-CD1 3.21Å; F73-I77 HydrophobicContact CE1-CG1 4.26Å; F73-I77 HydrophobicContact CE2-CD1 4.27Å; F73-I77 HydrophobicContact CG-CD1 4.43Å; F73-I77 HydrophobicContact CZ-CD1 3.54Å; F73-I77 HydrophobicContact CZ-CG1 4.29Å; F73-I77 WeakPolarHBondContact O-CG1 3.26Å; F73-I77 PolarHBondContact O-N 3.41Å; V74-I77 PolarHBondContact O-N 2.78Å; I77-S79 PolarHBondContact O-N 3.39Å; I77-I80 PolarHBondContact O-N 3.24Å; I77-I80 VanDerWaalsContact O-N 3.16Å; I77-L81 HydrophobicContact CG2-CD1 3.83Å; I77-L81 HydrophobicContact CG2-CG 4.14Å; I77-L81 WeakPolarHBondContact O-CB 3.36Å; I77-L81 WeakPolarHBondContact O-CG 3.25Å; I77-L81 PolarHBondContact O-N 3.24Å; I77-L94 HydrophobicContact CB-CD2 4.23Å; I77-L94 HydrophobicContact CG2-CD2 3.89Å
78A89.3Confident88Confident4 Ų483.2 Ų83.23%0.03341%0.411CS..Hα-helixtrans-57.6-41.8177.400000111.1V74 L75 G76 L81 Y82 S91 L94V74-A78 WeakPolarHBondContact O-CB 3.44Å; V74-A78 PolarHBondContact O-N 2.9Å; L75-A78 PolarHBondContact O-N 2.92Å; G76-A78 PolarHBondContact O-N 2.7Å; A78-L81 PolarHBondContact O-N 3.02Å; A78-Y82 WeakPolarHBondContact O-CB 3.25Å; A78-Y82 PolarHBondContact O-N 2.93Å; A78-S91 WeakPolarHBondContact O-CB 3.33Å; A78-S91 PolarHBondContact O-OG 3.39Å; A78-L94 HydrophobicContact CB-CD2 4.15Å
79S88.4Confident88.2Confident60 Ų6082.9 Ų82.942%0.4242%0.423SS..Hα-helixtrans-66-42.1177.1-56.80000111.7L75 G76 I77 Y82 Y83L75-S79 WeakPolarHBondContact O-CB 3.23Å; L75-S79 PolarHBondContact O-N 2.79Å; L75-S79 PolarHBondContact O-OG 2.89Å; G76-S79 WeakPolarHBondContact O-CB 3.37Å; G76-S79 PolarHBondContact O-N 2.88Å; I77-S79 PolarHBondContact O-N 3.39Å; S79-Y82 PolarHBondContact O-N 3.4Å; S79-Y83 WeakPolarHBondContact O-CD2 3.41Å; S79-Y83 PolarHBondContact O-N 2.92Å
80I90.5Very high88.2Confident80 Ų8079.5 Ų79.541%0.4141%0.411SS..Hα-helixtrans-62.8-46.9176.4-68.6164.9000110.8G76 I77 Y82 Y84 F85G76-I80 WeakPolarHBondContact O-CG1 3.47Å; G76-I80 PolarHBondContact O-N 3.25Å; I77-I80 PolarHBondContact O-N 3.24Å; I77-I80 VanDerWaalsContact O-N 3.16Å; I80-Y82 PolarHBondContact O-N 2.9Å; I80-Y84 HydrophobicContact CB-CD2 4.46Å; I80-Y84 HydrophobicContact CG1-CD2 4.5Å; I80-Y84 HydrophobicContact CG2-CD2 4.19Å; I80-Y84 WeakPolarHBondContact O-CB 3.4Å; I80-Y84 PolarHBondContact O-N 3.44Å; I80-F85 HydrophobicContact CG2-CD2 3.98Å; I80-F85 HydrophobicContact CG2-CE2 3.72Å; I80-F85 PolarHBondContact O-N 3.31Å
81L89.1Confident88.3Confident38 Ų3876 Ų7620%0.19939%0.393CS..Hα-helixtrans-59.8-37.4177-71.5174.6000112I77 A78 F85 S86 M87 A90I77-L81 HydrophobicContact CG2-CD1 3.83Å; I77-L81 HydrophobicContact CG2-CG 4.14Å; I77-L81 WeakPolarHBondContact O-CB 3.36Å; I77-L81 WeakPolarHBondContact O-CG 3.25Å; I77-L81 PolarHBondContact O-N 3.24Å; A78-L81 PolarHBondContact O-N 3.02Å; L81-F85 HydrophobicContact CD2-CD2 4.18Å; L81-F85 CarbonylContact O-C 3.55Å; L81-S86 PolarHBondContact O-N 2.97Å; L81-M87 HydrophobicContact CD2-SD 4.21Å; L81-M87 PolarHBondContact O-N 3.27Å; L81-A90 HydrophobicContact CD1-CB 4.42Å
82Y89.3Confident88.4Confident84 Ų8480 Ų8033%0.32941%0.413SS..Hα-helixtrans-69.6-57.2177.9-168-97.2000111.8A78 S79 I80 S86 E88A78-Y82 WeakPolarHBondContact O-CB 3.25Å; A78-Y82 PolarHBondContact O-N 2.93Å; S79-Y82 PolarHBondContact O-N 3.4Å; I80-Y82 PolarHBondContact O-N 2.9Å; Y82-S86 WeakPolarHBondContact O-CA 3.38Å; Y82-S86 PolarHBondContact O-N 3.32Å; Y82-E88 HydrophobicContact CD2-CB 4.27Å; Y82-E88 HydrophobicContact CD2-CG 4.11Å; Y82-E88 HydrophobicContact CE2-CB 4.02Å; Y82-E88 HydrophobicContact CE2-CG 3.67Å; Y82-E88 PolarHBondContact OH-OE1 2.94Å
83Y89.5Confident88.7Confident179 Ų17976.7 Ų76.770%0.70240%0.399SS*.Hα-helixtrans-82.4-38.2-169.8-74.6-71.6000114.1S79S79-Y83 WeakPolarHBondContact O-CD2 3.41Å; S79-Y83 PolarHBondContact O-N 2.92Å
84Y90.6Very high88.8Confident191 Ų19172.8 Ų72.875%0.74938%0.384SS*.THydrogen-bonded Turntrans-93.8-38.6-174.7-71.3-88.1000112.9I80I80-Y84 HydrophobicContact CB-CD2 4.46Å; I80-Y84 HydrophobicContact CG1-CD2 4.5Å; I80-Y84 HydrophobicContact CG2-CD2 4.19Å; I80-Y84 WeakPolarHBondContact O-CB 3.4Å; I80-Y84 PolarHBondContact O-N 3.44Å
85F89.4Confident88.8Confident132 Ų13272.8 Ų72.858%0.57939%0.385SS*.THydrogen-bonded Turntrans-99.7-4-176.3-65.1-79.5000113.7I80 L81 M87I80-F85 HydrophobicContact CG2-CD2 3.98Å; I80-F85 HydrophobicContact CG2-CE2 3.72Å; I80-F85 PolarHBondContact O-N 3.31Å; L81-F85 HydrophobicContact CD2-CD2 4.18Å; L81-F85 CarbonylContact O-C 3.55Å; F85-M87 HydrophobicContact CB-CB 4.4Å; F85-M87 HydrophobicContact CB-CG 3.9Å; F85-M87 HydrophobicContact CB-SD 4.18Å; F85-M87 PolarHBondContact O-N 2.93Å
86S88.1Confident89Confident98 Ų9870.8 Ų70.869%0.68537%0.374SS*.  trans52.324.9-174.5-57.10000113.4L81 Y82 E88L81-S86 PolarHBondContact O-N 2.97Å; Y82-S86 WeakPolarHBondContact O-CA 3.38Å; Y82-S86 PolarHBondContact O-N 3.32Å; S86-E88 VanDerWaalsContact C-N 3.3Å; S86-E88 PolarHBondContact O-N 2.92Å; S86-E88 VanDerWaalsContact O-N 3.13Å
87M90Very high89.3Confident98 Ų9871.8 Ų71.848%0.48337%0.372SS..  trans-9065.3-179.1-68.8-175.473.100110.1L81 F85 A89 A90 S91L81-M87 HydrophobicContact CD2-SD 4.21Å; L81-M87 PolarHBondContact O-N 3.27Å; F85-M87 HydrophobicContact CB-CB 4.4Å; F85-M87 HydrophobicContact CB-CG 3.9Å; F85-M87 HydrophobicContact CB-SD 4.18Å; F85-M87 PolarHBondContact O-N 2.93Å; M87-A89 VanDerWaalsContact C-N 3.32Å; M87-A89 PolarHBondContact O-N 3.47Å; M87-A90 HydrophobicContact CB-CB 4.15Å; M87-A90 HydrophobicContact CE-CB 4.07Å; M87-A90 PolarHBondContact O-N 3.4Å; M87-S91 PolarHBondContact O-N 3.26Å
88E87.4Confident89.3Confident106 Ų10670 Ų7050%0.49536%0.362SS..Hα-helixtrans-56.7-44.1-173.9-57.6-168.6145.800112.7Y82 S86 A90 S91 L92Y82-E88 HydrophobicContact CD2-CB 4.27Å; Y82-E88 HydrophobicContact CD2-CG 4.11Å; Y82-E88 HydrophobicContact CE2-CB 4.02Å; Y82-E88 HydrophobicContact CE2-CG 3.67Å; Y82-E88 PolarHBondContact OH-OE1 2.94Å; S86-E88 VanDerWaalsContact C-N 3.3Å; S86-E88 PolarHBondContact O-N 2.92Å; S86-E88 VanDerWaalsContact O-N 3.13Å; E88-A90 PolarHBondContact O-N 3.11Å; E88-S91 PolarHBondContact O-N 2.87Å; E88-L92 WeakPolarHBondContact O-CB 3.27Å; E88-L92 VanDerWaalsContact O-CG 3.3Å; E88-L92 WeakPolarHBondContact O-CG 3.35Å; E88-L92 PolarHBondContact O-N 3.38Å
89A86.3Confident89.3Confident76 Ų7671 Ų7163%0.62837%0.365SS*.Hα-helixtrans-64.1-40.2-178.700000112.4M87 S93M87-A89 VanDerWaalsContact C-N 3.32Å; M87-A89 PolarHBondContact O-N 3.47Å; A89-S93 WeakPolarHBondContact O-CB 3.31Å; A89-S93 PolarHBondContact O-N 2.72Å; A89-S93 PolarHBondContact O-OG 3.27Å
90A87Confident89.5Confident34 Ų3468.2 Ų68.228%0.28135%0.346SS..Hα-helixtrans-70.2-42.6179.200000111.2L81 M87 E88 S93 L94L81-A90 HydrophobicContact CD1-CB 4.42Å; M87-A90 HydrophobicContact CB-CB 4.15Å; M87-A90 HydrophobicContact CE-CB 4.07Å; M87-A90 PolarHBondContact O-N 3.4Å; E88-A90 PolarHBondContact O-N 3.11Å; A90-S93 PolarHBondContact O-N 2.69Å; A90-L94 WeakPolarHBondContact O-CB 3.43Å; A90-L94 PolarHBondContact O-N 2.79Å
91S88.7Confident89.6Confident12 Ų1265.9 Ų65.98%0.08433%0.333CS..Hα-helixtrans-59.4-52.4175175.30000112.3A78 M87 E88 S93 L94 S95A78-S91 WeakPolarHBondContact O-CB 3.33Å; A78-S91 PolarHBondContact O-OG 3.39Å; M87-S91 PolarHBondContact O-N 3.26Å; E88-S91 PolarHBondContact O-N 2.87Å; S91-S93 VanDerWaalsContact C-N 3.27Å; S91-S93 PolarHBondContact O-N 2.95Å; S91-L94 PolarHBondContact O-N 3.27Å; S91-S95 WeakPolarHBondContact O-CB 3.43Å; S91-S95 PolarHBondContact O-N 3.25Å
92L87.1Confident89.7Confident90 Ų9064.5 Ų64.547%0.47133%0.326SS..Hα-helixtrans-61.6-38.4177.9-71.9169.6000111.4E88 S95 N96E88-L92 WeakPolarHBondContact O-CB 3.27Å; E88-L92 VanDerWaalsContact O-CG 3.3Å; E88-L92 WeakPolarHBondContact O-CG 3.35Å; E88-L92 PolarHBondContact O-N 3.38Å; L92-S95 PolarHBondContact O-N 2.87Å; L92-N96 WeakPolarHBondContact O-CB 3.34Å; L92-N96 VanDerWaalsContact O-CG 3.24Å; L92-N96 PolarHBondContact O-N 2.94Å; L92-N96 PolarHBondContact O-ND2 3.01Å
93S90.3Very high89.8Confident37 Ų3761 Ų6126%0.25931%0.313SS..Hα-helixtrans-62.8-48.5177.5-64.50000111.7A89 A90 S91 S95 N96 L97A89-S93 WeakPolarHBondContact O-CB 3.31Å; A89-S93 PolarHBondContact O-N 2.72Å; A89-S93 PolarHBondContact O-OG 3.27Å; A90-S93 PolarHBondContact O-N 2.69Å; S91-S93 VanDerWaalsContact C-N 3.27Å; S91-S93 PolarHBondContact O-N 2.95Å; S93-S95 VanDerWaalsContact C-N 3.31Å; S93-S95 PolarHBondContact O-N 3.24Å; S93-N96 PolarHBondContact O-N 3.37Å; S93-L97 WeakPolarHBondContact O-CB 3.33Å; S93-L97 PolarHBondContact O-N 3.05Å
94L90.4Very high89.8Confident51 Ų5152.4 Ų52.427%0.26728%0.279SS..Hα-helixtrans-61.6-41.2178.3-171.867.6000111.4V74 I77 A78 A90 S91 W98V74-L94 HydrophobicContact CG1-CD1 4.02Å; V74-L94 HydrophobicContact CG1-CD2 3.93Å; V74-L94 HydrophobicContact CG1-CG 3.66Å; V74-L94 WeakPolarHBondContact O-CD2 3.32Å; I77-L94 HydrophobicContact CB-CD2 4.23Å; I77-L94 HydrophobicContact CG2-CD2 3.89Å; A78-L94 HydrophobicContact CB-CD2 4.15Å; A90-L94 WeakPolarHBondContact O-CB 3.43Å; A90-L94 PolarHBondContact O-N 2.79Å; S91-L94 PolarHBondContact O-N 3.27Å; L94-W98 WeakPolarHBondContact O-CB 3.33Å; L94-W98 PolarHBondContact O-N 2.87Å; L94-W98 VanDerWaalsContact O-N 3.09Å
95S88.1Confident89.7Confident20 Ų2043.5 Ų43.514%0.1424%0.244CC..Hα-helixtrans-63.6-49.3177.5-178.10000112.5S91 L92 S93 L97 W98 F99S91-S95 WeakPolarHBondContact O-CB 3.43Å; S91-S95 PolarHBondContact O-N 3.25Å; L92-S95 PolarHBondContact O-N 2.87Å; S93-S95 VanDerWaalsContact C-N 3.31Å; S93-S95 PolarHBondContact O-N 3.24Å; S95-L97 PolarHBondContact O-N 3.43Å; S95-W98 WeakPolarHBondContact O-CB 3.18Å; S95-W98 PolarHBondContact O-N 3.44Å; S95-W98 VanDerWaalsContact O-N 3.16Å; S95-F99 WeakPolarHBondContact O-CD2 3.43Å; S95-F99 PolarHBondContact O-N 3.38Å; S95-F99 WeakPolarHBondContact OG-CE2 3.49Å
96N91.5Very high89.7Confident5 Ų537.2 Ų37.23%0.02722%0.217CC..Hα-helixtrans-64.8-39.7-179.2-67.3-39.4000112.2R41 L92 S93 W98 F99 G100 L160 E161R41-N96 PolarHBondContact NH1-OD1 2.98Å; R41-N96 PolarHBondContact NH2-OD1 3.45Å; L92-N96 WeakPolarHBondContact O-CB 3.34Å; L92-N96 VanDerWaalsContact O-CG 3.24Å; L92-N96 PolarHBondContact O-N 2.94Å; L92-N96 PolarHBondContact O-ND2 3.01Å; S93-N96 PolarHBondContact O-N 3.37Å; N96-W98 VanDerWaalsContact C-N 3.28Å; N96-W98 PolarHBondContact O-N 2.99Å; N96-F99 PolarHBondContact O-N 2.97Å; N96-G100 PolarHBondContact O-N 2.93Å; N96-L160 HydrophobicContact CB-CB 4.21Å; N96-E161 HydrophobicContact CB-CG 4.2Å; N96-E161 WeakPolarHBondContact O-CG 3.44Å
97L92.9Very high89.6Confident51 Ų5132.5 Ų32.527%0.26718%0.184SC..Hα-helixtrans-56.7-45.8172.5-178.372.5000111.1S93 S95 G100 F101 L160 V163 G164 I167S93-L97 WeakPolarHBondContact O-CB 3.33Å; S93-L97 PolarHBondContact O-N 3.05Å; S95-L97 PolarHBondContact O-N 3.43Å; L97-G100 PolarHBondContact O-N 2.89Å; L97-F101 PolarHBondContact O-N 3.38Å; L97-L160 HydrophobicContact CB-CB 4.36Å; L97-L160 HydrophobicContact CD1-CD2 4.43Å; L97-V163 HydrophobicContact CD1-CB 4.12Å; L97-V163 HydrophobicContact CD1-CG1 3.77Å; L97-G164 WeakPolarHBondContact O-CA 3.27Å; L97-I167 HydrophobicContact CD1-CD1 4.36Å
98W91.8Very high89.4Confident25 Ų2528.7 Ų28.710%0.09517%0.165CC..Hα-helixtrans-67.5-39.9-179.6-166.9-112.4000112.8I67 L70 G71 V74 L94 S95 N96 F101 L102I67-W98 HydrophobicContact CG2-CH2 4.35Å; I67-W98 HydrophobicContact CG2-CZ2 4.35Å; L70-W98 HydrophobicContact CB-CH2 4.31Å; L70-W98 HydrophobicContact CD2-CH2 4.01Å; L70-W98 HydrophobicContact CD2-CZ3 4.27Å; L70-W98 HydrophobicContact CG-CH2 4.06Å; L70-W98 HydrophobicContact CG-CZ3 4.46Å; G71-W98 VanDerWaalsContact CA-NE1 3.27Å; V74-W98 HydrophobicContact CB-CD2 4.3Å; V74-W98 HydrophobicContact CB-CE3 4.48Å; V74-W98 HydrophobicContact CG1-CB 4.02Å; V74-W98 HydrophobicContact CG1-CD2 4.07Å; V74-W98 HydrophobicContact CG1-CE3 4.25Å; V74-W98 HydrophobicContact CG1-CG 3.95Å; V74-W98 HydrophobicContact CG2-CE3 4.21Å; V74-W98 HydrophobicContact CG2-CZ3 4.37Å; L94-W98 WeakPolarHBondContact O-CB 3.33Å; L94-W98 PolarHBondContact O-N 2.87Å; L94-W98 VanDerWaalsContact O-N 3.09Å; S95-W98 WeakPolarHBondContact O-CB 3.18Å; S95-W98 PolarHBondContact O-N 3.44Å; S95-W98 VanDerWaalsContact O-N 3.16Å; N96-W98 VanDerWaalsContact C-N 3.28Å; N96-W98 PolarHBondContact O-N 2.99Å; W98-F101 AromaticContact CE3-CD1 3.98Å; W98-F101 HydrophobicContact CE3-CD1 3.98Å; W98-F101 AromaticContact CH2-CD1 3.79Å; W98-F101 HydrophobicContact CH2-CD1 3.79Å; W98-F101 AromaticContact CH2-CE1 3.77Å; W98-F101 HydrophobicContact CH2-CE1 3.77Å; W98-F101 HydrophobicContact CZ2-CD1 4.31Å; W98-F101 HydrophobicContact CZ2-CE1 4.48Å; W98-F101 AromaticContact CZ3-CD1 3.61Å; W98-F101 HydrophobicContact CZ3-CD1 3.61Å; W98-F101 AromaticContact CZ3-CE1 3.89Å; W98-F101 HydrophobicContact CZ3-CE1 3.89Å; W98-F101 HydrophobicContact CZ3-CG 4.39Å; W98-F101 PolarHBondContact O-N 2.86Å; W98-L102 HydrophobicContact CD2-CG 4.4Å; W98-L102 HydrophobicContact CG-CD1 4.49Å; W98-L102 HydrophobicContact CG-CG 4.46Å; W98-L102 HydrophobicContact CZ2-CD2 3.68Å; W98-L102 HydrophobicContact CZ2-CG 4.2Å; W98-L102 VanDerWaalsContact NE1-CD1 3.26Å; W98-L102 WeakPolarHBondContact O-CG 3.43Å; W98-L102 PolarHBondContact O-N 3.22Å
99F89.8Confident89.1Confident24 Ų2425.6 Ų25.611%0.10515%0.151CC..Hα-helixtrans-59.4-46.7173.9-85.8-67.9000112.1L45 I48 S95 N96 F101 L102 L103L45-F99 HydrophobicContact CB-CE1 3.97Å; L45-F99 HydrophobicContact CB-CZ 4.27Å; L45-F99 HydrophobicContact CD1-CE1 3.84Å; L45-F99 HydrophobicContact CD1-CZ 4.14Å; L45-F99 HydrophobicContact CG-CE1 4.47Å; I48-F99 HydrophobicContact CD1-CD1 4.14Å; S95-F99 WeakPolarHBondContact O-CD2 3.43Å; S95-F99 PolarHBondContact O-N 3.38Å; S95-F99 WeakPolarHBondContact OG-CE2 3.49Å; N96-F99 PolarHBondContact O-N 2.97Å; F99-F101 VanDerWaalsContact C-N 3.32Å; F99-F101 PolarHBondContact O-N 3.44Å; F99-L102 PolarHBondContact O-N 3.35Å; F99-L103 WeakPolarHBondContact O-CB 3.5Å; F99-L103 PolarHBondContact O-N 2.64Å
100G91.9Very high88.4Confident1 Ų125.1 Ų25.11%0.0114%0.138CC..Hα-helixtrans-58.5-43.6174.800000112.4N96 L97 G104 E161 F165N96-G100 PolarHBondContact O-N 2.93Å; L97-G100 PolarHBondContact O-N 2.89Å; G100-G104 PolarHBondContact O-N 3.27Å; G100-E161 WeakPolarHBondContact CA-O 3.25Å; G100-F165 WeakPolarHBondContact O-CA 3.34Å; G100-F165 PolarHBondContact O-N 3.42Å
101F92.7Very high87.6Confident31 Ų3124.2 Ų24.214%0.13613%0.128CC..Hα-helixtrans-62.9-50.9178.1176.6-99.4000113I67 L97 W98 F99 L103 G104 L105 G164 I167 A168I67-F101 HydrophobicContact CG2-CE1 3.99Å; L97-F101 PolarHBondContact O-N 3.38Å; W98-F101 AromaticContact CE3-CD1 3.98Å; W98-F101 HydrophobicContact CE3-CD1 3.98Å; W98-F101 AromaticContact CH2-CD1 3.79Å; W98-F101 HydrophobicContact CH2-CD1 3.79Å; W98-F101 AromaticContact CH2-CE1 3.77Å; W98-F101 HydrophobicContact CH2-CE1 3.77Å; W98-F101 HydrophobicContact CZ2-CD1 4.31Å; W98-F101 HydrophobicContact CZ2-CE1 4.48Å; W98-F101 AromaticContact CZ3-CD1 3.61Å; W98-F101 HydrophobicContact CZ3-CD1 3.61Å; W98-F101 AromaticContact CZ3-CE1 3.89Å; W98-F101 HydrophobicContact CZ3-CE1 3.89Å; W98-F101 HydrophobicContact CZ3-CG 4.39Å; W98-F101 PolarHBondContact O-N 2.86Å; F99-F101 VanDerWaalsContact C-N 3.32Å; F99-F101 PolarHBondContact O-N 3.44Å; F101-L103 PolarHBondContact O-N 2.91Å; F101-G104 PolarHBondContact O-N 2.99Å; F101-L105 PolarHBondContact O-N 3.47Å; F101-G164 VanDerWaalsContact CA-O 3.29Å; F101-G164 WeakPolarHBondContact CA-O 3.41Å; F101-I167 HydrophobicContact CD2-CB 4.29Å; F101-I167 HydrophobicContact CD2-CG2 3.91Å; F101-I167 HydrophobicContact CE2-CG2 4.01Å; F101-A168 HydrophobicContact CD2-CB 3.8Å; F101-A168 HydrophobicContact CE2-CB 4.13Å; F101-A168 HydrophobicContact CG-CB 4.49Å; F101-A168 VanDerWaalsContact O-CB 3.3Å; F101-A168 WeakPolarHBondContact O-CB 3.32Å
102L91.4Very high86.4Confident10 Ų1027.5 Ų27.55%0.05215%0.152CC..Hα-helixtrans-65.1-39.3-178.8-67.6179.6000112.3I48 L52 I67 W98 F99 L105 L106I48-L102 HydrophobicContact CG2-CB 3.54Å; I48-L102 HydrophobicContact CG2-CD1 3.84Å; I48-L102 HydrophobicContact CG2-CG 4.28Å; L52-L102 HydrophobicContact CD1-CD2 3.82Å; I67-L102 HydrophobicContact CG2-CD2 4.06Å; W98-L102 HydrophobicContact CD2-CG 4.4Å; W98-L102 HydrophobicContact CG-CD1 4.49Å; W98-L102 HydrophobicContact CG-CG 4.46Å; W98-L102 HydrophobicContact CZ2-CD2 3.68Å; W98-L102 HydrophobicContact CZ2-CG 4.2Å; W98-L102 VanDerWaalsContact NE1-CD1 3.26Å; W98-L102 WeakPolarHBondContact O-CG 3.43Å; W98-L102 PolarHBondContact O-N 3.22Å; F99-L102 PolarHBondContact O-N 3.35Å; L102-L105 PolarHBondContact O-N 2.89Å; L102-L106 PolarHBondContact O-N 3.16Å
103L90.1Very high85.2Confident9 Ų927.4 Ų27.45%0.04716%0.159CC..Hα-helixtrans-68.1-37.4177.6-16959.5000111.4I48 F99 F101 L106 C107 L127 A225 F229I48-L103 HydrophobicContact CD1-CB 4.3Å; I48-L103 HydrophobicContact CD1-CD1 4.38Å; I48-L103 HydrophobicContact CG1-CD1 4.27Å; F99-L103 WeakPolarHBondContact O-CB 3.5Å; F99-L103 PolarHBondContact O-N 2.64Å; F101-L103 PolarHBondContact O-N 2.91Å; L103-L106 HydrophobicContact CD1-CD2 4.45Å; L103-L106 WeakPolarHBondContact O-CB 3.44Å; L103-L106 PolarHBondContact O-N 2.89Å; L103-C107 PolarHBondContact O-N 3.43Å; L103-C107 VanDerWaalsContact O-N 3.16Å; L103-C107 PolarHBondContact O-SG 3.48Å; L103-L127 HydrophobicContact CD1-CD2 4.18Å; L103-A225 HydrophobicContact CD1-CB 4.36Å; L103-F229 HydrophobicContact CD2-CB 3.62Å; L103-F229 HydrophobicContact CD2-CD2 3.97Å; L103-F229 HydrophobicContact CD2-CG 4.29Å; L103-F229 HydrophobicContact CG-CB 4.17Å
104G89.9Confident84.1Confident0 Ų026.4 Ų26.40%015%0.15CC..Hα-helixtrans-61.3-46.7170.900000112.5G100 F101 L106 C107 F108 F165G100-G104 PolarHBondContact O-N 3.27Å; F101-G104 PolarHBondContact O-N 2.99Å; G104-L106 PolarHBondContact O-N 3.32Å; G104-C107 WeakPolarHBondContact O-CA 3.42Å; G104-C107 WeakPolarHBondContact O-CB 3.21Å; G104-C107 PolarHBondContact O-N 2.9Å; G104-F108 WeakPolarHBondContact O-CD2 3.41Å; G104-F108 WeakPolarHBondContact O-CE2 3.37Å; G104-F108 WeakPolarHBondContact O-CG 3.27Å; G104-F108 PolarHBondContact O-N 3.42Å; G104-F165 VanDerWaalsContact CA-CD2 3.41Å; G104-F165 VanDerWaalsContact CA-CE2 3.49Å
105L88.9Confident82.9Confident3 Ų331.6 Ų31.62%0.01617%0.17CC..Hα-helixtrans-58.7-37.9174.9-16973.8000111.3L52 I67 F101 L102 C107 F108 L109 T171L52-L105 HydrophobicContact CD2-CD2 3.78Å; L52-L105 HydrophobicContact CD2-CG 4.29Å; I67-L105 HydrophobicContact CD1-CD1 4.23Å; I67-L105 HydrophobicContact CD1-CD2 3.66Å; I67-L105 HydrophobicContact CG2-CD2 3.88Å; F101-L105 PolarHBondContact O-N 3.47Å; L102-L105 PolarHBondContact O-N 2.89Å; L105-C107 PolarHBondContact O-N 3.47Å; L105-F108 PolarHBondContact O-N 2.84Å; L105-L109 HydrophobicContact CD1-CD1 4.26Å; L105-L109 HydrophobicContact CD1-CG 4.24Å; L105-L109 HydrophobicContact CD2-CD1 4.23Å; L105-L109 HydrophobicContact CG-CD1 3.76Å; L105-L109 HydrophobicContact CG-CG 4.15Å; L105-L109 WeakPolarHBondContact O-CG 3.33Å; L105-L109 PolarHBondContact O-N 3.34Å; L105-T171 HydrophobicContact CD1-CG2 3.92Å
106L88.4Confident82Confident0 Ų038.5 Ų38.50%021%0.205CC..Hα-helixtrans-63-31.7176.6-161.875.4000112.3L52 R55 L102 L103 G104 T123 L127 A225L52-L106 HydrophobicContact CD2-CD1 4.33Å; L52-L106 HydrophobicContact CG-CD1 4.41Å; R55-L106 VanDerWaalsContact CZ-O 3.28Å; R55-L106 VanDerWaalsContact NH1-C 3.34Å; R55-L106 VanDerWaalsContact NH1-CD1 3.28Å; R55-L106 PolarHBondContact NH1-O 3.2Å; R55-L106 PolarHBondContact NH2-O 3.25Å; L102-L106 PolarHBondContact O-N 3.16Å; L103-L106 HydrophobicContact CD1-CD2 4.45Å; L103-L106 WeakPolarHBondContact O-CB 3.44Å; L103-L106 PolarHBondContact O-N 2.89Å; G104-L106 PolarHBondContact O-N 3.32Å; L106-T123 HydrophobicContact CD2-CG2 4.48Å; L106-L127 HydrophobicContact CD2-CD1 3.93Å; L106-L127 HydrophobicContact CD2-CD2 4.42Å; L106-A225 HydrophobicContact CB-CB 4.37Å; L106-A225 HydrophobicContact CD2-CB 3.87Å; L106-A225 HydrophobicContact CG-CB 4.18Å
107C87.3Confident81.6Confident0 Ų039.7 Ų39.70%021%0.212CC..Hα-helixtrans-74.7-38.3178.4-62.90000113.6L103 G104 L105 F165 K221 N222 A225 F226L103-C107 PolarHBondContact O-N 3.43Å; L103-C107 VanDerWaalsContact O-N 3.16Å; L103-C107 PolarHBondContact O-SG 3.48Å; G104-C107 WeakPolarHBondContact O-CA 3.42Å; G104-C107 WeakPolarHBondContact O-CB 3.21Å; G104-C107 PolarHBondContact O-N 2.9Å; L105-C107 PolarHBondContact O-N 3.47Å; C107-F165 HydrophobicContact CB-CE2 4.47Å; C107-F165 HydrophobicContact CB-CZ 4.5Å; C107-K221 PolarHBondContact O-N 3.12Å; C107-N222 PolarHBondContact O-N 3.11Å; C107-A225 VanDerWaalsContact SG-C 3.55Å; C107-F226 PolarHBondContact SG-N 3.21Å
108F84.7Confident81.3Confident18 Ų1842.3 Ų42.38%0.07923%0.229CC..Hα-helixtrans-91.9-27.3-169.3-53.9-46.1000114.6G104 L105 F165 A168 S169 M172 V180G104-F108 WeakPolarHBondContact O-CD2 3.41Å; G104-F108 WeakPolarHBondContact O-CE2 3.37Å; G104-F108 WeakPolarHBondContact O-CG 3.27Å; G104-F108 PolarHBondContact O-N 3.42Å; L105-F108 PolarHBondContact O-N 2.84Å; F108-F165 HydrophobicContact CE1-CE1 4.41Å; F108-F165 HydrophobicContact CE1-CZ 4.28Å; F108-F165 HydrophobicContact CE2-CE1 4.37Å; F108-F165 HydrophobicContact CE2-CZ 4.43Å; F108-F165 HydrophobicContact CZ-CD1 4.3Å; F108-F165 AromaticContact CZ-CE1 3.57Å; F108-F165 HydrophobicContact CZ-CE1 3.57Å; F108-F165 HydrophobicContact CZ-CE2 4.49Å; F108-F165 AromaticContact CZ-CZ 3.66Å; F108-F165 HydrophobicContact CZ-CZ 3.66Å; F108-A168 HydrophobicContact CD2-CB 4.39Å; F108-A168 HydrophobicContact CE2-CB 4.14Å; F108-S169 VanDerWaalsContact CE2-CA 3.48Å; F108-M172 HydrophobicContact CB-CG 3.97Å; F108-M172 HydrophobicContact CB-SD 3.92Å; F108-M172 HydrophobicContact CD1-CE 4.38Å; F108-M172 HydrophobicContact CD1-CG 4.42Å; F108-M172 HydrophobicContact CD1-SD 3.34Å; F108-M172 WeakPolarHBondContact CD1-SD 3.32Å; F108-M172 HydrophobicContact CD2-SD 4.34Å; F108-M172 HydrophobicContact CE1-SD 3.94Å; F108-M172 HydrophobicContact CG-CG 4.09Å; F108-M172 HydrophobicContact CG-SD 3.6Å; F108-M172 VanDerWaalsContact CG-SD 3.6Å; F108-V180 HydrophobicContact CE1-CG1 4.05Å; F108-V180 HydrophobicContact CE1-CG2 4.13Å; F108-V180 HydrophobicContact CZ-CG1 3.6Å; F108-V180 HydrophobicContact CZ-CG2 4.46Å
109L81.5Confident81.1Confident40 Ų4044.4 Ų44.421%0.20924%0.239CC..SBendtrans-65.9147.2176.3-70.4173.1000111.4L52 I64 L105 K221L52-L109 HydrophobicContact CD2-CD1 4.1Å; I64-L109 HydrophobicContact CD1-CD1 4.22Å; I64-L109 HydrophobicContact CG1-CD1 4.46Å; L105-L109 HydrophobicContact CD1-CD1 4.26Å; L105-L109 HydrophobicContact CD1-CG 4.24Å; L105-L109 HydrophobicContact CD2-CD1 4.23Å; L105-L109 HydrophobicContact CG-CD1 3.76Å; L105-L109 HydrophobicContact CG-CG 4.15Å; L105-L109 WeakPolarHBondContact O-CG 3.33Å; L105-L109 PolarHBondContact O-N 3.34Å; L109-K221 WeakPolarHBondContact O-CB 3.46Å
110D72Confident80.9Confident67 Ų6743.3 Ų43.336%0.35823%0.234SC..  trans-63.8143.2-175.8-145.9-43.3000113.4S112 F114 K221D110-S112 VanDerWaalsContact OD1-CB 3.32Å; D110-S112 WeakPolarHBondContact OD1-CB 3.45Å; D110-S112 PolarHBondContact OD1-N 2.88Å; D110-S112 PolarHBondContact OD1-OG 3.09Å; D110-F114 WeakPolarHBondContact O-CD2 3.36Å; D110-F114 VanDerWaalsContact O-CE2 3.24Å; D110-F114 WeakPolarHBondContact O-CE2 3.31Å; D110-K221 VanDerWaalsContact CA-CD 3.45Å; D110-K221 HydrophobicContact CB-CD 3.94Å; D110-K221 IonicContact OD2-NZ 3.46Å; D110-K221 PolarHBondContact OD2-NZ 2.86Å
111N69.2Low80.7Confident14 Ų1447.8 Ų47.88%0.07526%0.255CS..  trans-126.6-0.2-179.5-13512.3000113.4S113 F114 E120 K221N111-S113 PolarHBondContact O-N 3.23Å; N111-F114 PolarHBondContact O-N 3.44Å; N111-E120 PolarHBondContact ND2-OE1 3.05Å; N111-E120 PolarHBondContact OD1-OE1 3.47Å; N111-K221 WeakPolarHBondContact CB-O 3.47Å
112S64.3Low80.6Confident82 Ų8248.7 Ų48.757%0.57327%0.265SS*.G310 helixtrans-64.3-36-173.353.50000113.5D110D110-S112 VanDerWaalsContact OD1-CB 3.32Å; D110-S112 WeakPolarHBondContact OD1-CB 3.45Å; D110-S112 PolarHBondContact OD1-N 2.88Å; D110-S112 PolarHBondContact OD1-OG 3.09Å
113S62.8Low80.6Confident88 Ų8848.2 Ų48.262%0.61526%0.263SS*.G310 helixtrans-81.9-6.217945.50000114.9N111N111-S113 PolarHBondContact O-N 3.23Å
114F66.3Low80.6Confident16 Ų1650.1 Ų50.17%0.0727%0.271CS..G310 helixtrans-1178.1-166.1-44.9-53.7000114R55 K58 T59 D110 N111 N116 D117 E120R55-F114 HydrophobicContact CG-CD2 4.48Å; R55-F114 HydrophobicContact CG-CE2 4.31Å; K58-F114 HydrophobicContact CB-CD1 4.02Å; K58-F114 HydrophobicContact CB-CE1 3.4Å; K58-F114 HydrophobicContact CB-CZ 4.2Å; K58-F114 HydrophobicContact CG-CD1 4.08Å; K58-F114 HydrophobicContact CG-CE1 3.98Å; T59-F114 HydrophobicContact CG2-CZ 3.74Å; D110-F114 WeakPolarHBondContact O-CD2 3.36Å; D110-F114 VanDerWaalsContact O-CE2 3.24Å; D110-F114 WeakPolarHBondContact O-CE2 3.31Å; N111-F114 PolarHBondContact O-N 3.44Å; F114-N116 PolarHBondContact O-N 2.97Å; F114-N116 VanDerWaalsContact O-N 3.09Å; F114-D117 PolarHBondContact O-N 3.48Å; F114-E120 HydrophobicContact CB-CG 4.41Å
115K65.1Low80.7Confident159 Ų15956.6 Ų56.669%0.69130%0.296SS*.THydrogen-bonded Turntrans-58-26.9-173.3-74.7-174.8177.4179.40114.9
116N68.6Low80.9Confident165 Ų16558.4 Ų58.488%0.88231%0.305SS*.THydrogen-bonded Turntrans-105.87.6-176.1-61.8-9.4000113.6F114F114-N116 PolarHBondContact O-N 2.97Å; F114-N116 VanDerWaalsContact O-N 3.09Å
117D83.4Confident81.1Confident30 Ų3058.4 Ų58.416%0.1631%0.305CS..  trans-83127.4178.9-162.3-41.7000110.9K58 F114 K119 E120 E121K58-D117 WeakPolarHBondContact CE-OD2 3.27Å; K58-D117 IonicContact NZ-OD2 3.62Å; F114-D117 PolarHBondContact O-N 3.48Å; D117-K119 PolarHBondContact O-N 2.91Å; D117-K119 PolarHBondContact OD1-N 2.88Å; D117-E120 HydrophobicContact CB-CB 4.19Å; D117-E120 PolarHBondContact O-N 2.9Å; D117-E120 VanDerWaalsContact O-N 3.11Å; D117-E121 PolarHBondContact O-N 2.95Å
118V86.8Confident81.4Confident106 Ų10663 Ų6364%0.64233%0.329SS*.Hα-helixtrans-58.3-33.8179-1780000111.5E121 S122V118-E121 PolarHBondContact O-N 2.86Å; V118-S122 WeakPolarHBondContact O-CB 3.17Å; V118-S122 PolarHBondContact O-N 3.41Å; V118-S122 PolarHBondContact O-OG 2.9Å
119K88Confident81.8Confident69 Ų6965.1 Ų65.130%0.334%0.344SS..Hα-helixtrans-72.5-33.6179.5-58.6-179.8-169175.10112L50 V54 E57 D117 T123L50-K119 HydrophobicContact CD1-CB 4.5Å; V54-K119 HydrophobicContact CG2-CB 3.25Å; V54-K119 HydrophobicContact CG2-CD 3.99Å; V54-K119 HydrophobicContact CG2-CG 4.26Å; E57-K119 IonicContact OE1-NZ 2.91Å; E57-K119 PolarHBondContact OE1-NZ 3.42Å; E57-K119 IonicContact OE2-NZ 2.7Å; E57-K119 PolarHBondContact OE2-NZ 3.49Å; D117-K119 PolarHBondContact O-N 2.91Å; D117-K119 PolarHBondContact OD1-N 2.88Å; K119-T123 PolarHBondContact O-N 2.63Å; K119-T123 PolarHBondContact O-OG1 3.47Å
120E85.9Confident82.3Confident1 Ų163.4 Ų63.41%0.00534%0.336CS..Hα-helixtrans-71.2-38.8173.8178.860-157.800110.8V54 N111 F114 D117 T123 K124V54-E120 HydrophobicContact CG1-CB 4.44Å; N111-E120 PolarHBondContact ND2-OE1 3.05Å; N111-E120 PolarHBondContact OD1-OE1 3.47Å; F114-E120 HydrophobicContact CB-CG 4.41Å; D117-E120 HydrophobicContact CB-CB 4.19Å; D117-E120 PolarHBondContact O-N 2.9Å; D117-E120 VanDerWaalsContact O-N 3.11Å; E120-T123 WeakPolarHBondContact O-CB 3.21Å; E120-T123 PolarHBondContact O-N 3.1Å; E120-K124 WeakPolarHBondContact O-CG 3.41Å; E120-K124 PolarHBondContact O-N 3.31Å; E120-K124 VanDerWaalsContact O-N 3.13Å
121E88.2Confident83.3Confident96 Ų9660.8 Ų60.845%0.44932%0.322SS..Hα-helixtrans-63.4-44173.2-152.6-173.1158.600111.7D117 V118 T123 K124 Y125D117-E121 PolarHBondContact O-N 2.95Å; V118-E121 PolarHBondContact O-N 2.86Å; E121-T123 VanDerWaalsContact C-N 3.3Å; E121-T123 PolarHBondContact O-N 3.36Å; E121-K124 WeakPolarHBondContact O-CB 3.31Å; E121-K124 PolarHBondContact O-N 3.2Å; E121-K124 VanDerWaalsContact O-N 3.11Å; E121-Y125 HydrophobicContact CG-CD2 4.24Å; E121-Y125 HydrophobicContact CG-CE2 3.59Å; E121-Y125 WeakPolarHBondContact O-CD2 3.35Å; E121-Y125 PolarHBondContact O-N 2.96Å; E121-Y125 VanDerWaalsContact O-N 3.07Å; E121-Y125 VanDerWaalsContact OE1-CE2 3.3Å; E121-Y125 WeakPolarHBondContact OE1-CE2 3.35Å; E121-Y125 PolarHBondContact OE1-OH 2.95Å
122S90.4Very high84.4Confident49 Ų4963.7 Ų63.734%0.34334%0.34SS..Hα-helixtrans-57.8-42.6174-59.30000111.8V118 K124 Y125 L126V118-S122 WeakPolarHBondContact O-CB 3.17Å; V118-S122 PolarHBondContact O-N 3.41Å; V118-S122 PolarHBondContact O-OG 2.9Å; S122-K124 VanDerWaalsContact C-N 3.32Å; S122-K124 PolarHBondContact O-N 3.21Å; S122-Y125 PolarHBondContact O-N 3.48Å; S122-L126 VanDerWaalsContact O-CG 3.29Å; S122-L126 WeakPolarHBondContact O-CG 3.34Å; S122-L126 PolarHBondContact O-N 3.28Å
123T91Very high85.7Confident0 Ų061.1 Ų61.10%032%0.319CS..Hα-helixtrans-58.3-43.7175.4-62.10000111.7A47 L50 G51 L106 K119 E120 E121 L126 L127A47-T123 WeakPolarHBondContact O-CG2 3.32Å; L50-T123 WeakPolarHBondContact CG-OG1 3.41Å; G51-T123 PolarHBondContact N-OG1 3.27Å; L106-T123 HydrophobicContact CD2-CG2 4.48Å; K119-T123 PolarHBondContact O-N 2.63Å; K119-T123 PolarHBondContact O-OG1 3.47Å; E120-T123 WeakPolarHBondContact O-CB 3.21Å; E120-T123 PolarHBondContact O-N 3.1Å; E121-T123 VanDerWaalsContact C-N 3.3Å; E121-T123 PolarHBondContact O-N 3.36Å; T123-L126 PolarHBondContact O-N 2.87Å; T123-L127 HydrophobicContact CG2-CD1 4.22Å; T123-L127 WeakPolarHBondContact O-CG 3.36Å; T123-L127 PolarHBondContact O-N 3.24Å
124K89.9Confident87Confident49 Ų4960.1 Ų60.121%0.21330%0.302CS..Hα-helixtrans-63.7-44.1178.3-67.7167.5-177.1165.10112.2E120 E121 S122 L126 L127 L128 I224E120-K124 WeakPolarHBondContact O-CG 3.41Å; E120-K124 PolarHBondContact O-N 3.31Å; E120-K124 VanDerWaalsContact O-N 3.13Å; E121-K124 WeakPolarHBondContact O-CB 3.31Å; E121-K124 PolarHBondContact O-N 3.2Å; E121-K124 VanDerWaalsContact O-N 3.11Å; S122-K124 VanDerWaalsContact C-N 3.32Å; S122-K124 PolarHBondContact O-N 3.21Å; K124-L126 VanDerWaalsContact C-N 3.35Å; K124-L127 PolarHBondContact O-N 3.01Å; K124-L128 PolarHBondContact O-N 3.16Å; K124-I224 HydrophobicContact CB-CD1 3.86Å; K124-I224 HydrophobicContact CD-CD1 3.8Å; K124-I224 HydrophobicContact CG-CD1 3.72Å
125Y92.1Very high88.2Confident136 Ų13662.6 Ų62.653%0.53332%0.315SS..Hα-helixtrans-64.4-39176.1-69.8-60.9000112.2E121 S122 L128 T129E121-Y125 HydrophobicContact CG-CD2 4.24Å; E121-Y125 HydrophobicContact CG-CE2 3.59Å; E121-Y125 WeakPolarHBondContact O-CD2 3.35Å; E121-Y125 PolarHBondContact O-N 2.96Å; E121-Y125 VanDerWaalsContact O-N 3.07Å; E121-Y125 VanDerWaalsContact OE1-CE2 3.3Å; E121-Y125 WeakPolarHBondContact OE1-CE2 3.35Å; E121-Y125 PolarHBondContact OE1-OH 2.95Å; S122-Y125 PolarHBondContact O-N 3.48Å; Y125-L128 PolarHBondContact O-N 3.4Å; Y125-T129 WeakPolarHBondContact O-CB 3.18Å; Y125-T129 PolarHBondContact O-N 3.34Å; Y125-T129 PolarHBondContact O-OG1 3.4Å
126L93.6Very high89.4Confident41 Ų4159 Ų5922%0.21530%0.303CS..Hα-helixtrans-64.6-41.1175.9-69.1169000111.6N43 V46 A47 L50 S122 T123 K124 T129 S130N43-L126 PolarHBondContact ND2-O 3.42Å; N43-L126 VanDerWaalsContact OD1-CD2 3.27Å; N43-L126 WeakPolarHBondContact OD1-CD2 3.4Å; V46-L126 HydrophobicContact CG1-CD1 4.17Å; A47-L126 HydrophobicContact CB-CB 3.58Å; A47-L126 HydrophobicContact CB-CD1 4.48Å; L50-L126 HydrophobicContact CD2-CD1 4.02Å; S122-L126 VanDerWaalsContact O-CG 3.29Å; S122-L126 WeakPolarHBondContact O-CG 3.34Å; S122-L126 PolarHBondContact O-N 3.28Å; T123-L126 PolarHBondContact O-N 2.87Å; K124-L126 VanDerWaalsContact C-N 3.35Å; L126-T129 PolarHBondContact O-N 3.31Å; L126-S130 PolarHBondContact O-N 2.87Å; L126-S130 PolarHBondContact O-OG 2.95Å; L126-S130 VanDerWaalsContact O-OG 3.07Å
127L92.7Very high90.4Very high0 Ų051.2 Ų51.20%026%0.262CS..Hα-helixtrans-62-44.6174-70.6169.4000112L44 A47 L103 L106 T123 K124 T129 S130 I131 I224 A225 C228L44-L127 HydrophobicContact CD1-CD2 3.99Å; A47-L127 HydrophobicContact CB-CD2 3.91Å; A47-L127 HydrophobicContact CB-CG 4.04Å; L103-L127 HydrophobicContact CD1-CD2 4.18Å; L106-L127 HydrophobicContact CD2-CD1 3.93Å; L106-L127 HydrophobicContact CD2-CD2 4.42Å; T123-L127 HydrophobicContact CG2-CD1 4.22Å; T123-L127 WeakPolarHBondContact O-CG 3.36Å; T123-L127 PolarHBondContact O-N 3.24Å; K124-L127 PolarHBondContact O-N 3.01Å; L127-T129 VanDerWaalsContact C-N 3.32Å; L127-T129 PolarHBondContact O-N 3.26Å; L127-S130 WeakPolarHBondContact O-CB 3.39Å; L127-S130 PolarHBondContact O-N 2.69Å; L127-I131 PolarHBondContact O-N 3.16Å; L127-I131 VanDerWaalsContact O-N 3.11Å; L127-I224 HydrophobicContact CB-CG2 4.04Å; L127-I224 HydrophobicContact CD1-CG2 4.26Å; L127-A225 HydrophobicContact CD1-CB 4.02Å; L127-C228 HydrophobicContact CB-CB 4.4Å; L127-C228 HydrophobicContact CD2-CB 4.31Å
128L92.7Very high90.6Very high96 Ų9649.8 Ų49.850%0.50325%0.254SS..Hα-helixtrans-62.6-41.6176.4-171.169.3000111.7K124 Y125 S130 I131 V132K124-L128 PolarHBondContact O-N 3.16Å; Y125-L128 PolarHBondContact O-N 3.4Å; L128-S130 VanDerWaalsContact C-N 3.31Å; L128-S130 PolarHBondContact O-N 3.13Å; L128-I131 HydrophobicContact CD1-CD1 4.39Å; L128-I131 WeakPolarHBondContact O-CB 3.32Å; L128-I131 PolarHBondContact O-N 3.3Å; L128-V132 WeakPolarHBondContact O-CG2 3.33Å; L128-V132 PolarHBondContact O-N 3.36Å; L128-V132 VanDerWaalsContact O-N 3.08Å
129T92.8Very high90.7Very high64 Ų6447.6 Ų47.639%0.39324%0.238SC..Hα-helixtrans-62.3-40.3176.2-55.80000110.9Y125 L126 L127 I131 V132 L133Y125-T129 WeakPolarHBondContact O-CB 3.18Å; Y125-T129 PolarHBondContact O-N 3.34Å; Y125-T129 PolarHBondContact O-OG1 3.4Å; L126-T129 PolarHBondContact O-N 3.31Å; L127-T129 VanDerWaalsContact C-N 3.32Å; L127-T129 PolarHBondContact O-N 3.26Å; T129-I131 VanDerWaalsContact C-N 3.33Å; T129-I131 PolarHBondContact O-N 3.35Å; T129-V132 PolarHBondContact O-N 3.02Å; T129-L133 HydrophobicContact CG2-CD1 3.96Å; T129-L133 HydrophobicContact CG2-CG 4.22Å; T129-L133 WeakPolarHBondContact O-CB 3.49Å; T129-L133 VanDerWaalsContact O-CG 3.28Å; T129-L133 WeakPolarHBondContact O-CG 3Å; T129-L133 PolarHBondContact O-N 3.3Å
130S92.8Very high90.6Very high4 Ų446.1 Ų46.13%0.02824%0.235CC..Hα-helixtrans-60.4-40.7174.4-64.20000112.5N43 L44 L126 L127 L128 R134N43-S130 PolarHBondContact ND2-N 3.3Å; N43-S130 PolarHBondContact ND2-OG 2.67Å; L44-S130 WeakPolarHBondContact CA-OG 3.49Å; L44-S130 PolarHBondContact N-OG 3.27Å; L126-S130 PolarHBondContact O-N 2.87Å; L126-S130 PolarHBondContact O-OG 2.95Å; L126-S130 VanDerWaalsContact O-OG 3.07Å; L127-S130 WeakPolarHBondContact O-CB 3.39Å; L127-S130 PolarHBondContact O-N 2.69Å; L128-S130 VanDerWaalsContact C-N 3.31Å; L128-S130 PolarHBondContact O-N 3.13Å; S130-R134 VanDerWaalsContact O-CB 3.25Å; S130-R134 WeakPolarHBondContact O-CB 3.44Å; S130-R134 PolarHBondContact O-N 2.98Å
131I92.3Very high90.6Very high12 Ų1248.6 Ų48.66%0.06225%0.246CC..Hα-helixtrans-59.9-50.8174.5-66.9161.9000110.4L127 L128 T129 R134 I135 C228 I231L127-I131 PolarHBondContact O-N 3.16Å; L127-I131 VanDerWaalsContact O-N 3.11Å; L128-I131 HydrophobicContact CD1-CD1 4.39Å; L128-I131 WeakPolarHBondContact O-CB 3.32Å; L128-I131 PolarHBondContact O-N 3.3Å; T129-I131 VanDerWaalsContact C-N 3.33Å; T129-I131 PolarHBondContact O-N 3.35Å; I131-R134 PolarHBondContact O-N 3.16Å; I131-I135 HydrophobicContact CG2-CD1 3.76Å; I131-I135 HydrophobicContact CG2-CG1 4.48Å; I131-I135 WeakPolarHBondContact O-CG1 3.33Å; I131-I135 PolarHBondContact O-N 3.2Å; I131-C228 HydrophobicContact CD1-CB 3.94Å; I131-C228 HydrophobicContact CG1-CB 4Å; I131-I231 HydrophobicContact CD1-CD1 4.19Å; I131-I231 HydrophobicContact CG2-CB 4.21Å; I131-I231 HydrophobicContact CG2-CD1 4.2Å; I131-I231 HydrophobicContact CG2-CG2 3.59Å
132V93.1Very high90.5Very high75 Ų7544.9 Ų44.946%0.45523%0.228SC..Hα-helixtrans-62.2-47.1-178174.40000110.9L128 T129 R134 I135 L136L128-V132 WeakPolarHBondContact O-CG2 3.33Å; L128-V132 PolarHBondContact O-N 3.36Å; L128-V132 VanDerWaalsContact O-N 3.08Å; T129-V132 PolarHBondContact O-N 3.02Å; V132-R134 VanDerWaalsContact C-N 3.3Å; V132-R134 PolarHBondContact O-N 3.38Å; V132-I135 PolarHBondContact O-N 3.43Å; V132-L136 HydrophobicContact CG1-CD1 3.78Å; V132-L136 HydrophobicContact CG1-CG 4.33Å; V132-L136 WeakPolarHBondContact O-CB 3.41Å; V132-L136 VanDerWaalsContact O-CG 3.29Å; V132-L136 WeakPolarHBondContact O-CG 3.3Å; V132-L136 PolarHBondContact O-N 3.06Å
133L91.1Very high90.1Very high28 Ų2843.9 Ų43.915%0.14722%0.219CC..Hα-helixtrans-60.6-40.2177.3-70.5174.7000111.7L36 L39 A40 N43 T129 C137L36-L133 HydrophobicContact CD1-CD2 3.86Å; L39-L133 HydrophobicContact CD2-CD1 4.35Å; L39-L133 HydrophobicContact CG-CD1 4.33Å; A40-L133 HydrophobicContact CB-CB 3.89Å; N43-L133 HydrophobicContact CB-CD1 4.44Å; T129-L133 HydrophobicContact CG2-CD1 3.96Å; T129-L133 HydrophobicContact CG2-CG 4.22Å; T129-L133 WeakPolarHBondContact O-CB 3.49Å; T129-L133 VanDerWaalsContact O-CG 3.28Å; T129-L133 WeakPolarHBondContact O-CG 3Å; T129-L133 PolarHBondContact O-N 3.3Å; L133-C137 VanDerWaalsContact O-CB 3.23Å; L133-C137 WeakPolarHBondContact O-CB 3.35Å; L133-C137 PolarHBondContact O-N 3.47Å
134R91Very high89.4Confident67 Ų6744.7 Ų44.725%0.25322%0.224SC..Hα-helixtrans-62.9-48.3176.9-179.558.1170.61604.3111.6S130 I131 V132 C137 S138 C232 D236S130-R134 VanDerWaalsContact O-CB 3.25Å; S130-R134 WeakPolarHBondContact O-CB 3.44Å; S130-R134 PolarHBondContact O-N 2.98Å; I131-R134 PolarHBondContact O-N 3.16Å; V132-R134 VanDerWaalsContact C-N 3.3Å; V132-R134 PolarHBondContact O-N 3.38Å; R134-C137 PolarHBondContact O-N 3.44Å; R134-S138 WeakPolarHBondContact O-CB 3.45Å; R134-S138 PolarHBondContact O-N 3.19Å; R134-S138 PolarHBondContact O-OG 3.33Å; R134-C232 HydrophobicContact CG-CB 4.39Å; R134-D236 IonicContact CZ-OD2 2.72Å; R134-D236 IonicContact NH2-OD2 2.87Å; R134-D236 PolarHBondContact NH2-OD2 2.97Å
135I91.3Very high88.6Confident67 Ų6745 Ų4534%0.34424%0.242SC..Hα-helixtrans-61-47.5178.4-67.2167.9000110.8I131 V132 S138 L139 I231 T235I131-I135 HydrophobicContact CG2-CD1 3.76Å; I131-I135 HydrophobicContact CG2-CG1 4.48Å; I131-I135 WeakPolarHBondContact O-CG1 3.33Å; I131-I135 PolarHBondContact O-N 3.2Å; V132-I135 PolarHBondContact O-N 3.43Å; I135-S138 PolarHBondContact O-N 3.21Å; I135-L139 VanDerWaalsContact O-CB 3.26Å; I135-L139 WeakPolarHBondContact O-CB 3.48Å; I135-L139 PolarHBondContact O-N 3.43Å; I135-I231 HydrophobicContact CD1-CG2 4.02Å; I135-I231 HydrophobicContact CG1-CG2 4.44Å; I135-T235 HydrophobicContact CB-CG2 4.47Å; I135-T235 HydrophobicContact CG1-CG2 4.01Å
136L89.4Confident87.9Confident85 Ų8542.3 Ų42.345%0.44523%0.231SC..Hα-helixtrans-60.9-46.9178.7-71.1172.1000111.4V132 L139 V140V132-L136 HydrophobicContact CG1-CD1 3.78Å; V132-L136 HydrophobicContact CG1-CG 4.33Å; V132-L136 WeakPolarHBondContact O-CB 3.41Å; V132-L136 VanDerWaalsContact O-CG 3.29Å; V132-L136 WeakPolarHBondContact O-CG 3.3Å; V132-L136 PolarHBondContact O-N 3.06Å; L136-L139 PolarHBondContact O-N 3.03Å; L136-V140 VanDerWaalsContact O-CG2 3.25Å; L136-V140 WeakPolarHBondContact O-CG2 3.49Å; L136-V140 PolarHBondContact O-N 3.05Å
137C89.2Confident87.2Confident1 Ų142.2 Ų42.21%0.00723%0.232CC..Hα-helixtrans-58.9-52.7177.3-1690000111.5L36 L133 R134 L139 V140 E141L36-C137 HydrophobicContact CD2-CB 3.98Å; L36-C137 HydrophobicContact CG-CB 4.13Å; L133-C137 VanDerWaalsContact O-CB 3.23Å; L133-C137 WeakPolarHBondContact O-CB 3.35Å; L133-C137 PolarHBondContact O-N 3.47Å; R134-C137 PolarHBondContact O-N 3.44Å; C137-L139 VanDerWaalsContact C-N 3.26Å; C137-L139 PolarHBondContact O-N 2.9Å; C137-V140 PolarHBondContact O-N 3.44Å; C137-E141 WeakPolarHBondContact O-CG 3.42Å; C137-E141 PolarHBondContact O-N 2.94Å
138S89.3Confident86.5Confident0 Ų052.9 Ų52.90%027%0.273CS..Hα-helixtrans-60.9-33179.6-75.40000113R134 I135 R142 D236R134-S138 WeakPolarHBondContact O-CB 3.45Å; R134-S138 PolarHBondContact O-N 3.19Å; R134-S138 PolarHBondContact O-OG 3.33Å; I135-S138 PolarHBondContact O-N 3.21Å; S138-R142 WeakPolarHBondContact O-CD 3.42Å; S138-R142 WeakPolarHBondContact O-CG 3.42Å; S138-R142 PolarHBondContact O-NH1 3.45Å; S138-D236 WeakPolarHBondContact CB-OD1 3.29Å; S138-D236 PolarHBondContact OG-OD1 3.4Å
139L88.5Confident85.9Confident59 Ų5951 Ų5131%0.30926%0.261SS..Hα-helixtrans-72.6-47.8176.3-174.572000111.2I135 L136 C137 E141 R142 I143 L239 F243I135-L139 VanDerWaalsContact O-CB 3.26Å; I135-L139 WeakPolarHBondContact O-CB 3.48Å; I135-L139 PolarHBondContact O-N 3.43Å; L136-L139 PolarHBondContact O-N 3.03Å; C137-L139 VanDerWaalsContact C-N 3.26Å; C137-L139 PolarHBondContact O-N 2.9Å; L139-E141 PolarHBondContact O-N 2.92Å; L139-R142 PolarHBondContact O-N 3.24Å; L139-I143 HydrophobicContact CD1-CD1 4.1Å; L139-I143 HydrophobicContact CD1-CG1 4.5Å; L139-I143 HydrophobicContact CD2-CD1 4.21Å; L139-I143 HydrophobicContact CG-CD1 3.72Å; L139-I143 HydrophobicContact CG-CG1 4.4Å; L139-I143 VanDerWaalsContact O-CG1 3.32Å; L139-I143 WeakPolarHBondContact O-CG1 3.3Å; L139-I143 PolarHBondContact O-N 3.35Å; L139-L239 HydrophobicContact CD1-CD2 4.18Å; L139-F243 HydrophobicContact CD1-CE2 4.16Å; L139-F243 HydrophobicContact CD1-CZ 4.28Å
140V86.2Confident85.3Confident39 Ų3956.8 Ų56.824%0.23628%0.276CS..Hα-helixtrans-63.4-42-179.6175.50000111M17 V33 L136 C137 R142 I143 S144M17-V140 HydrophobicContact CE-CG1 4.46Å; V33-V140 HydrophobicContact CG2-CG1 3.5Å; L136-V140 VanDerWaalsContact O-CG2 3.25Å; L136-V140 WeakPolarHBondContact O-CG2 3.49Å; L136-V140 PolarHBondContact O-N 3.05Å; C137-V140 PolarHBondContact O-N 3.44Å; V140-R142 PolarHBondContact O-N 2.84Å; V140-I143 PolarHBondContact O-N 2.91Å; V140-S144 VanDerWaalsContact O-CB 3.27Å; V140-S144 WeakPolarHBondContact O-CB 3.38Å; V140-S144 PolarHBondContact O-N 3.16Å; V140-S144 PolarHBondContact O-OG 3.47Å
141E85.9Confident84.8Confident52 Ų5259 Ų5924%0.24329%0.289CS..Hα-helixtrans-55.1-40.1175.5-76.4176.7173.800112.4V33 C137 L139 G145 Y146 V147V33-E141 HydrophobicContact CG1-CB 4.48Å; V33-E141 HydrophobicContact CG1-CG 3.35Å; C137-E141 WeakPolarHBondContact O-CG 3.42Å; C137-E141 PolarHBondContact O-N 2.94Å; L139-E141 PolarHBondContact O-N 2.92Å; E141-G145 PolarHBondContact O-N 3.05Å; E141-Y146 PolarHBondContact O-N 3.41Å; E141-V147 HydrophobicContact CB-CG2 3.75Å
142R86.1Confident84.5Confident18 Ų1860.7 Ų60.77%0.06830%0.301CS..Hα-helixtrans-79.9-40.7-177.4-73.2172.3174.478.82.4113.1S138 L139 V140 S144 G145 V147 D236 D240 F243S138-R142 WeakPolarHBondContact O-CD 3.42Å; S138-R142 WeakPolarHBondContact O-CG 3.42Å; S138-R142 PolarHBondContact O-NH1 3.45Å; L139-R142 PolarHBondContact O-N 3.24Å; V140-R142 PolarHBondContact O-N 2.84Å; R142-S144 VanDerWaalsContact C-N 3.27Å; R142-S144 PolarHBondContact O-N 3.09Å; R142-G145 PolarHBondContact O-N 2.96Å; R142-V147 HydrophobicContact CG-CG2 3.85Å; R142-D236 IonicContact CZ-OD1 3.07Å; R142-D236 IonicContact NH1-OD1 3.77Å; R142-D236 PolarHBondContact NH1-OD1 3.3Å; R142-D236 VanDerWaalsContact NH2-CA 3.28Å; R142-D236 VanDerWaalsContact NH2-CB 3.34Å; R142-D236 PolarHBondContact NH2-O 2.82Å; R142-D236 VanDerWaalsContact NH2-O 3.13Å; R142-D236 IonicContact NH2-OD1 3.35Å; R142-D236 PolarHBondContact NH2-OD1 3.32Å; R142-D236 VanDerWaalsContact NH2-OD1 3.13Å; R142-D240 IonicContact CZ-OD1 3.36Å; R142-D240 VanDerWaalsContact CZ-OD1 3.25Å; R142-D240 IonicContact NE-OD1 3.43Å; R142-D240 PolarHBondContact NE-OD1 3.41Å; R142-D240 IonicContact NH2-OD1 3.8Å; R142-D240 PolarHBondContact NH2-OD1 3.5Å; R142-D240 IonicContact NH2-OD2 3.29Å; R142-F243 HydrophobicContact CB-CB 4.02Å; R142-F243 HydrophobicContact CB-CD1 3.89Å; R142-F243 HydrophobicContact CB-CD2 3.96Å; R142-F243 HydrophobicContact CB-CE1 4.33Å; R142-F243 HydrophobicContact CB-CE2 4.39Å; R142-F243 HydrophobicContact CB-CG 3.68Å; R142-F243 HydrophobicContact CG-CB 4.12Å; R142-F243 HydrophobicContact CG-CD2 4.4Å; R142-F243 HydrophobicContact CG-CG 4.23Å
143I81.2Confident84.2Confident29 Ų2959.4 Ų59.415%0.14929%0.291CS..Hα-helixtrans-64.1-38.7175.7-64.3171.4000110.1L13 M17 L139 V140 G145 F243L13-I143 HydrophobicContact CB-CG2 4.09Å; L13-I143 HydrophobicContact CD2-CD1 4.34Å; L13-I143 HydrophobicContact CD2-CG2 3.77Å; L13-I143 HydrophobicContact CG-CG2 4.39Å; M17-I143 HydrophobicContact CE-CB 3.93Å; M17-I143 HydrophobicContact CE-CG2 3.51Å; M17-I143 HydrophobicContact CG-CG2 3.89Å; M17-I143 HydrophobicContact SD-CB 4.17Å; M17-I143 HydrophobicContact SD-CG2 3.56Å; M17-I143 VanDerWaalsContact SD-CG2 3.56Å; L139-I143 HydrophobicContact CD1-CD1 4.1Å; L139-I143 HydrophobicContact CD1-CG1 4.5Å; L139-I143 HydrophobicContact CD2-CD1 4.21Å; L139-I143 HydrophobicContact CG-CD1 3.72Å; L139-I143 HydrophobicContact CG-CG1 4.4Å; L139-I143 VanDerWaalsContact O-CG1 3.32Å; L139-I143 WeakPolarHBondContact O-CG1 3.3Å; L139-I143 PolarHBondContact O-N 3.35Å; V140-I143 PolarHBondContact O-N 2.91Å; I143-G145 PolarHBondContact O-N 3.41Å; I143-F243 HydrophobicContact CG1-CE1 4.12Å; I143-F243 HydrophobicContact CG1-CZ 4.06Å
144S76.2Confident84.2Confident16 Ų1660.1 Ų60.111%0.11230%0.295CS..THydrogen-bonded Turntrans-76.7-7.6178.5-46.30000113.4M17 V140 R142 Y146M17-S144 PolarHBondContact SD-OG 3.22Å; V140-S144 VanDerWaalsContact O-CB 3.27Å; V140-S144 WeakPolarHBondContact O-CB 3.38Å; V140-S144 PolarHBondContact O-N 3.16Å; V140-S144 PolarHBondContact O-OG 3.47Å; R142-S144 VanDerWaalsContact C-N 3.27Å; R142-S144 PolarHBondContact O-N 3.09Å; S144-Y146 VanDerWaalsContact C-N 3.28Å; S144-Y146 PolarHBondContact O-N 2.93Å
145G74Confident84.2Confident56 Ų5658.9 Ų58.958%0.57730%0.295SS*.THydrogen-bonded Turntrans70.916.3179.900000115.1E141 R142 I143 V147E141-G145 PolarHBondContact O-N 3.05Å; R142-G145 PolarHBondContact O-N 2.96Å; I143-G145 PolarHBondContact O-N 3.41Å; G145-V147 VanDerWaalsContact C-N 3.26Å; G145-V147 PolarHBondContact O-N 3.45Å
146Y76.6Confident84.1Confident80 Ų8060.2 Ų60.231%0.31431%0.306SS..  trans-76.5-12.5-179.4-62.5-48.7000113.3E21 H30 E141 S144 R148E21-Y146 PolarHBondContact OE1-OH 3.03Å; H30-Y146 HydrophobicContact CB-CE1 4.26Å; H30-Y146 HydrophobicContact CB-CE2 4.29Å; H30-Y146 AromaticContact CD2-CD1 3.95Å; E141-Y146 PolarHBondContact O-N 3.41Å; S144-Y146 VanDerWaalsContact C-N 3.28Å; S144-Y146 PolarHBondContact O-N 2.93Å; Y146-R148 PolarHBondContact O-N 3.29Å
147V79.1Confident84.1Confident39 Ų3959.7 Ų59.724%0.23630%0.303CS..  trans-80117.6-178.7-176.80000111.4E141 R142 G145 H149E141-V147 HydrophobicContact CB-CG2 3.75Å; R142-V147 HydrophobicContact CG-CG2 3.85Å; G145-V147 VanDerWaalsContact C-N 3.26Å; G145-V147 PolarHBondContact O-N 3.45Å; V147-H149 PolarHBondContact O-N 2.95Å
148R77.1Confident84.3Confident224 Ų22460 Ų6085%0.84531%0.305SS*.  trans-84.2103.4164.7-101.8178.9173.7166.6-1.8110.3Y146 R150Y146-R148 PolarHBondContact O-N 3.29Å; R148-R150 PolarHBondContact O-N 3.36Å
149H81.1Confident84.5Confident55 Ų5565.3 Ų65.326%0.25533%0.328SS..  trans-69.5121.7174.7-59.8-67.5000110.9V147 D240 L246V147-H149 PolarHBondContact O-N 2.95Å; H149-D240 IonicContact CE1-OD1 3.13Å; H149-D240 PolarHBondContact CE1-OD1 3.34Å; H149-D240 VanDerWaalsContact CE1-OD1 3.32Å; H149-D240 IonicContact ND1-OD1 2.67Å; H149-D240 IonicContact ND1-OD2 3.6Å; H149-L246 HydrophobicContact CB-CD1 3.89Å; H149-L246 HydrophobicContact CB-CD2 4.28Å; H149-L246 HydrophobicContact CB-CG 3.9Å
150R79.8Confident84.8Confident187 Ų18763.8 Ų63.871%0.70632%0.32SS*.  trans-109.9143.9173.8-68.5-173.4178.4-175.60.7110.4R148 T152R148-R150 PolarHBondContact O-N 3.36Å; R150-T152 HydrophobicContact CB-CG2 4.5Å; R150-T152 PolarHBondContact O-N 2.95Å; R150-T152 VanDerWaalsContact O-N 3.11Å
151P82.9Confident85.2Confident49 Ų4963.5 Ų63.532%0.31832%0.316SS..  trans-76.699.7175.732-34.3000109.7E250 K253 P254P151-E250 WeakPolarHBondContact CB-O 3.47Å; P151-K253 HydrophobicContact CB-CB 4.33Å; P151-K253 HydrophobicContact CG-CD 4.26Å; P151-P254 HydrophobicContact CB-CG 4.35Å; P151-P254 VanDerWaalsContact O-CG 3.31Å; P151-P254 WeakPolarHBondContact O-CG 3.44Å
152T86.3Confident85.6Confident48 Ų4861.3 Ų61.329%0.29431%0.306SS..  trans-136151.7175.655.30000109.2R150 R195R150-T152 HydrophobicContact CB-CG2 4.5Å; R150-T152 PolarHBondContact O-N 2.95Å; R150-T152 VanDerWaalsContact O-N 3.11Å; T152-R195 WeakPolarHBondContact O-CD 3.48Å
153L86.6Confident86.1Confident49 Ų4962.7 Ų62.726%0.25732%0.316SS..SBendtrans-76.9-55171.9-62.2176.7000109.9I192 R195 M196 P254L153-I192 HydrophobicContact CB-CD1 4.49Å; L153-I192 HydrophobicContact CB-CG1 4.3Å; L153-I192 HydrophobicContact CB-CG2 4.18Å; L153-I192 HydrophobicContact CD2-CG2 4.02Å; L153-R195 WeakPolarHBondContact O-CD 3.21Å; L153-R195 PolarHBondContact O-NE 3.23Å; L153-M196 HydrophobicContact CD2-CE 3.67Å; L153-M196 HydrophobicContact CD2-SD 4.22Å; L153-P254 HydrophobicContact CD2-CB 4.39Å; L153-P254 HydrophobicContact CG-CB 4.05Å
154L89.8Confident86.7Confident42 Ų4261.3 Ų61.322%0.2231%0.309CS..SBendtrans-131.8140.1176.4-164.668.6000108.3E158 F159 L162 I191L154-E158 HydrophobicContact CD1-CB 3.68Å; L154-E158 HydrophobicContact CD1-CG 4.45Å; L154-E158 HydrophobicContact CG-CB 3.96Å; L154-F159 HydrophobicContact CD2-CB 3.74Å; L154-F159 HydrophobicContact CD2-CD2 4Å; L154-F159 HydrophobicContact CD2-CG 4.38Å; L154-F159 HydrophobicContact CG-CB 4.31Å; L154-L162 HydrophobicContact CD1-CD1 4.28Å; L154-L162 HydrophobicContact CD2-CD1 4.06Å; L154-I191 HydrophobicContact CD1-CB 4.23Å; L154-I191 HydrophobicContact CD1-CG2 3.65Å
155T90.7Very high87.6Confident42 Ų4260.6 Ų60.626%0.25830%0.304SS..  trans-77.6155174.365.60000110.4I157 E158 F159T155-I157 PolarHBondContact O-N 3.42Å; T155-E158 WeakPolarHBondContact CB-OE2 3.26Å; T155-E158 WeakPolarHBondContact CG2-OE2 3.44Å; T155-E158 PolarHBondContact N-OE2 2.86Å; T155-E158 PolarHBondContact O-N 3.05Å; T155-E158 WeakPolarHBondContact OG1-CB 3.31Å; T155-E158 WeakPolarHBondContact OG1-CG 3.44Å; T155-E158 PolarHBondContact OG1-N 2.96Å; T155-E158 PolarHBondContact OG1-OE2 3.42Å; T155-F159 WeakPolarHBondContact O-CB 3.32Å; T155-F159 PolarHBondContact O-N 3.5Å
156T89.4Confident88.5Confident95 Ų9558.8 Ų58.858%0.58328%0.283SS*.Hα-helixtrans-58.9-32.6175.9-49.70000111.9L160T156-L160 HydrophobicContact CG2-CD1 3.75Å; T156-L160 HydrophobicContact CG2-CG 4.4Å; T156-L160 WeakPolarHBondContact O-CB 3.45Å; T156-L160 WeakPolarHBondContact O-CD1 3.35Å; T156-L160 WeakPolarHBondContact O-CG 3.38Å; T156-L160 PolarHBondContact O-N 3.33Å
157I90Very high89.3Confident73 Ų7358.7 Ų58.737%0.37429%0.288SS..Hα-helixtrans-66.1-55.9177.6-56.8-180000110T155 F159 L160 E161T155-I157 PolarHBondContact O-N 3.42Å; I157-F159 VanDerWaalsContact C-N 3.3Å; I157-F159 PolarHBondContact O-N 3.3Å; I157-L160 PolarHBondContact O-N 3.13Å; I157-E161 PolarHBondContact O-N 3.21Å
158E93.3Very high89.8Confident9 Ų956.9 Ų56.94%0.04228%0.276CS..Hα-helixtrans-56.9-45.6178.5-68.4158155.300110.8L154 T155 L160 E161 L162 R195 L233L154-E158 HydrophobicContact CD1-CB 3.68Å; L154-E158 HydrophobicContact CD1-CG 4.45Å; L154-E158 HydrophobicContact CG-CB 3.96Å; T155-E158 WeakPolarHBondContact CB-OE2 3.26Å; T155-E158 WeakPolarHBondContact CG2-OE2 3.44Å; T155-E158 PolarHBondContact N-OE2 2.86Å; T155-E158 PolarHBondContact O-N 3.05Å; T155-E158 WeakPolarHBondContact OG1-CB 3.31Å; T155-E158 WeakPolarHBondContact OG1-CG 3.44Å; T155-E158 PolarHBondContact OG1-N 2.96Å; T155-E158 PolarHBondContact OG1-OE2 3.42Å; E158-L160 PolarHBondContact O-N 3.04Å; E158-E161 PolarHBondContact O-N 2.89Å; E158-L162 VanDerWaalsContact O-CB 3.32Å; E158-L162 WeakPolarHBondContact O-CB 3.08Å; E158-L162 VanDerWaalsContact O-CD1 3.31Å; E158-L162 WeakPolarHBondContact O-CD1 3.07Å; E158-L162 WeakPolarHBondContact O-CG 3.31Å; E158-L162 PolarHBondContact O-N 3.31Å; E158-R195 VanDerWaalsContact CD-NH2 3.34Å; E158-R195 IonicContact OE1-CZ 2.56Å; E158-R195 IonicContact OE1-NH2 2.74Å; E158-R195 PolarHBondContact OE1-NH2 3.3Å; E158-R195 IonicContact OE2-NH2 3.32Å; E158-R195 PolarHBondContact OE2-NH2 3.47Å; E158-R195 VanDerWaalsContact OE2-NH2 3.17Å; E158-L233 HydrophobicContact CB-CD2 4.26Å; E158-L233 HydrophobicContact CG-CD2 4.06Å
159F93.9Very high90.4Very high111 Ų11146.2 Ų46.249%0.48724%0.236SC..Hα-helixtrans-57.8-48.5178.5178.2-106.9000112.3L154 T155 I157 L162 V163L154-F159 HydrophobicContact CD2-CB 3.74Å; L154-F159 HydrophobicContact CD2-CD2 4Å; L154-F159 HydrophobicContact CD2-CG 4.38Å; L154-F159 HydrophobicContact CG-CB 4.31Å; T155-F159 WeakPolarHBondContact O-CB 3.32Å; T155-F159 PolarHBondContact O-N 3.5Å; I157-F159 VanDerWaalsContact C-N 3.3Å; I157-F159 PolarHBondContact O-N 3.3Å; F159-L162 PolarHBondContact O-N 2.88Å; F159-V163 HydrophobicContact CD1-CG2 4.37Å; F159-V163 HydrophobicContact CD2-CG2 4.27Å; F159-V163 HydrophobicContact CE1-CG2 3.98Å; F159-V163 HydrophobicContact CE2-CG2 3.87Å; F159-V163 HydrophobicContact CZ-CG2 3.72Å; F159-V163 WeakPolarHBondContact O-CB 3.38Å; F159-V163 VanDerWaalsContact O-CG2 3.23Å; F159-V163 WeakPolarHBondContact O-CG2 3.15Å; F159-V163 PolarHBondContact O-N 3.08Å
160L94.8Very high90.8Very high26 Ų2647.9 Ų47.914%0.13625%0.25CS..Hα-helixtrans-71.6-37.5-176.8-69.3168.9000112.3N96 L97 T156 I157 E158 V163 G164N96-L160 HydrophobicContact CB-CB 4.21Å; L97-L160 HydrophobicContact CB-CB 4.36Å; L97-L160 HydrophobicContact CD1-CD2 4.43Å; T156-L160 HydrophobicContact CG2-CD1 3.75Å; T156-L160 HydrophobicContact CG2-CG 4.4Å; T156-L160 WeakPolarHBondContact O-CB 3.45Å; T156-L160 WeakPolarHBondContact O-CD1 3.35Å; T156-L160 WeakPolarHBondContact O-CG 3.38Å; T156-L160 PolarHBondContact O-N 3.33Å; I157-L160 PolarHBondContact O-N 3.13Å; E158-L160 PolarHBondContact O-N 3.04Å; L160-V163 PolarHBondContact O-N 3.04Å; L160-G164 PolarHBondContact O-N 2.91Å
161E94.1Very high90.9Very high33 Ų3342.6 Ų42.615%0.15424%0.239CC..Hα-helixtrans-64-42173.7-74.2-179.4-167.900111.5N96 G100 I157 E158 G164 F165 F229 L233N96-E161 HydrophobicContact CB-CG 4.2Å; N96-E161 WeakPolarHBondContact O-CG 3.44Å; G100-E161 WeakPolarHBondContact CA-O 3.25Å; I157-E161 PolarHBondContact O-N 3.21Å; E158-E161 PolarHBondContact O-N 2.89Å; E161-G164 PolarHBondContact O-N 3.34Å; E161-F165 WeakPolarHBondContact O-CB 3.23Å; E161-F165 PolarHBondContact O-N 3.31Å; E161-F229 HydrophobicContact CB-CE2 4.46Å; E161-L233 HydrophobicContact CB-CD2 4.34Å; E161-L233 WeakPolarHBondContact OE2-CD2 3.49Å
162L95.4Very high90.9Very high6 Ų643 Ų433%0.03124%0.237CC..Hα-helixtrans-62-46.4174.1-71.4163.9000111.6L154 E158 F159 G164 F165 A166 V184 L187 A188 I191 F229 L233L154-L162 HydrophobicContact CD1-CD1 4.28Å; L154-L162 HydrophobicContact CD2-CD1 4.06Å; E158-L162 VanDerWaalsContact O-CB 3.32Å; E158-L162 WeakPolarHBondContact O-CB 3.08Å; E158-L162 VanDerWaalsContact O-CD1 3.31Å; E158-L162 WeakPolarHBondContact O-CD1 3.07Å; E158-L162 WeakPolarHBondContact O-CG 3.31Å; E158-L162 PolarHBondContact O-N 3.31Å; F159-L162 PolarHBondContact O-N 2.88Å; L162-G164 PolarHBondContact O-N 3.26Å; L162-F165 PolarHBondContact O-N 3.32Å; L162-A166 WeakPolarHBondContact O-CB 3.2Å; L162-A166 PolarHBondContact O-N 3.21Å; L162-V184 HydrophobicContact CB-CG1 3.77Å; L162-V184 HydrophobicContact CD2-CG1 3.73Å; L162-V184 HydrophobicContact CG-CG1 4.34Å; L162-V184 WeakPolarHBondContact O-CG1 3.38Å; L162-L187 HydrophobicContact CD2-CB 4.36Å; L162-L187 HydrophobicContact CD2-CD2 3.81Å; L162-L187 HydrophobicContact CD2-CG 4.09Å; L162-A188 HydrophobicContact CD1-CB 3.84Å; L162-I191 HydrophobicContact CD1-CD1 4.32Å; L162-F229 HydrophobicContact CD2-CE1 4.42Å; L162-F229 HydrophobicContact CD2-CZ 4.02Å; L162-L233 HydrophobicContact CD2-CD1 3.9Å; L162-L233 HydrophobicContact CG-CD1 4.23Å
163V95.8Very high90.8Very high47 Ų4747 Ų4729%0.28526%0.256SS..Hα-helixtrans-62.1-44177.1170.60000111L97 F159 L160 F165 A166 I167L97-V163 HydrophobicContact CD1-CB 4.12Å; L97-V163 HydrophobicContact CD1-CG1 3.77Å; F159-V163 HydrophobicContact CD1-CG2 4.37Å; F159-V163 HydrophobicContact CD2-CG2 4.27Å; F159-V163 HydrophobicContact CE1-CG2 3.98Å; F159-V163 HydrophobicContact CE2-CG2 3.87Å; F159-V163 HydrophobicContact CZ-CG2 3.72Å; F159-V163 WeakPolarHBondContact O-CB 3.38Å; F159-V163 VanDerWaalsContact O-CG2 3.23Å; F159-V163 WeakPolarHBondContact O-CG2 3.15Å; F159-V163 PolarHBondContact O-N 3.08Å; L160-V163 PolarHBondContact O-N 3.04Å; V163-F165 VanDerWaalsContact C-N 3.34Å; V163-F165 PolarHBondContact O-N 2.56Å; V163-A166 PolarHBondContact O-N 2.97Å; V163-I167 HydrophobicContact CG1-CD1 3.86Å; V163-I167 HydrophobicContact CG1-CG1 4.44Å; V163-I167 VanDerWaalsContact O-CG1 3.29Å; V163-I167 WeakPolarHBondContact O-CG1 3.41Å; V163-I167 PolarHBondContact O-N 3.34Å
164G94.5Very high90.7Very high0 Ų050.3 Ų50.30%028%0.278CS..Hα-helixtrans-58.6-46.6176.500000111.8L97 F101 L160 E161 L162 A166 I167 A168L97-G164 WeakPolarHBondContact O-CA 3.27Å; F101-G164 VanDerWaalsContact CA-O 3.29Å; F101-G164 WeakPolarHBondContact CA-O 3.41Å; L160-G164 PolarHBondContact O-N 2.91Å; E161-G164 PolarHBondContact O-N 3.34Å; L162-G164 PolarHBondContact O-N 3.26Å; G164-A166 PolarHBondContact O-N 3.44Å; G164-I167 PolarHBondContact O-N 3.05Å; G164-A168 PolarHBondContact O-N 3.38Å
165F93.6Very high90.2Very high2 Ų255.1 Ų55.11%0.00930%0.3CS..Hα-helixtrans-63.3-40.7177.5-169.3-82.8000112.2G100 G104 C107 F108 E161 L162 V163 A168 S169 V180 V184 F226 F229G100-F165 WeakPolarHBondContact O-CA 3.34Å; G100-F165 PolarHBondContact O-N 3.42Å; G104-F165 VanDerWaalsContact CA-CD2 3.41Å; G104-F165 VanDerWaalsContact CA-CE2 3.49Å; C107-F165 HydrophobicContact CB-CE2 4.47Å; C107-F165 HydrophobicContact CB-CZ 4.5Å; F108-F165 HydrophobicContact CE1-CE1 4.41Å; F108-F165 HydrophobicContact CE1-CZ 4.28Å; F108-F165 HydrophobicContact CE2-CE1 4.37Å; F108-F165 HydrophobicContact CE2-CZ 4.43Å; F108-F165 HydrophobicContact CZ-CD1 4.3Å; F108-F165 AromaticContact CZ-CE1 3.57Å; F108-F165 HydrophobicContact CZ-CE1 3.57Å; F108-F165 HydrophobicContact CZ-CE2 4.49Å; F108-F165 AromaticContact CZ-CZ 3.66Å; F108-F165 HydrophobicContact CZ-CZ 3.66Å; E161-F165 WeakPolarHBondContact O-CB 3.23Å; E161-F165 PolarHBondContact O-N 3.31Å; L162-F165 PolarHBondContact O-N 3.32Å; V163-F165 VanDerWaalsContact C-N 3.34Å; V163-F165 PolarHBondContact O-N 2.56Å; F165-A168 WeakPolarHBondContact O-CB 3.19Å; F165-A168 PolarHBondContact O-N 3.26Å; F165-S169 PolarHBondContact O-N 2.94Å; F165-V180 HydrophobicContact CD1-CG1 4.46Å; F165-V180 HydrophobicContact CE1-CG1 3.95Å; F165-V184 HydrophobicContact CD1-CG2 3.52Å; F165-V184 HydrophobicContact CE1-CG2 4.07Å; F165-F226 HydrophobicContact CE1-CE2 4.49Å; F165-F226 AromaticContact CZ-CD2 3.86Å; F165-F226 HydrophobicContact CZ-CD2 3.86Å; F165-F226 HydrophobicContact CZ-CE2 4.02Å; F165-F229 HydrophobicContact CB-CE1 4.16Å; F165-F229 HydrophobicContact CB-CE2 3.79Å; F165-F229 HydrophobicContact CB-CZ 3.5Å; F165-F229 VanDerWaalsContact CB-CZ 3.5Å; F165-F229 HydrophobicContact CD1-CE1 4.01Å; F165-F229 HydrophobicContact CD1-CZ 4.22Å; F165-F229 AromaticContact CD2-CD1 3.73Å; F165-F229 HydrophobicContact CD2-CD1 3.73Å; F165-F229 AromaticContact CD2-CD2 3.81Å; F165-F229 HydrophobicContact CD2-CD2 3.81Å; F165-F229 AromaticContact CD2-CE1 3.71Å; F165-F229 HydrophobicContact CD2-CE1 3.71Å; F165-F229 AromaticContact CD2-CE2 3.77Å; F165-F229 HydrophobicContact CD2-CE2 3.77Å; F165-F229 AromaticContact CD2-CG 3.77Å; F165-F229 HydrophobicContact CD2-CG 3.77Å; F165-F229 AromaticContact CD2-CZ 3.71Å; F165-F229 HydrophobicContact CD2-CZ 3.71Å; F165-F229 HydrophobicContact CE1-CE1 4.32Å; F165-F229 HydrophobicContact CE2-CB 4.3Å; F165-F229 AromaticContact CE2-CD1 3.72Å; F165-F229 HydrophobicContact CE2-CD1 3.72Å; F165-F229 HydrophobicContact CE2-CD2 4.38Å; F165-F229 HydrophobicContact CE2-CE1 4.05Å; F165-F229 AromaticContact CE2-CG 3.88Å; F165-F229 HydrophobicContact CE2-CG 3.88Å; F165-F229 HydrophobicContact CE2-CZ 4.49Å; F165-F229 HydrophobicContact CG-CD1 4.19Å; F165-F229 HydrophobicContact CG-CD2 4.46Å; F165-F229 AromaticContact CG-CE1 3.69Å; F165-F229 HydrophobicContact CG-CE1 3.69Å; F165-F229 AromaticContact CG-CE2 3.97Å; F165-F229 HydrophobicContact CG-CE2 3.97Å; F165-F229 AromaticContact CG-CZ 3.55Å; F165-F229 HydrophobicContact CG-CZ 3.55Å; F165-F229 HydrophobicContact CZ-CD1 4.18Å; F165-F229 HydrophobicContact CZ-CE1 4.36Å
166A93.5Very high89.9Confident18 Ų1856.5 Ų56.515%0.14930%0.302CS..Hα-helixtrans-62.2-42.6174.300000111.9L162 V163 G164 A168 S169 I181 V184L162-A166 WeakPolarHBondContact O-CB 3.2Å; L162-A166 PolarHBondContact O-N 3.21Å; V163-A166 PolarHBondContact O-N 2.97Å; G164-A166 PolarHBondContact O-N 3.44Å; A166-A168 VanDerWaalsContact C-N 3.32Å; A166-A168 PolarHBondContact O-N 3.34Å; A166-S169 WeakPolarHBondContact O-CB 3.35Å; A166-S169 PolarHBondContact O-N 3.26Å; A166-S169 PolarHBondContact O-OG 3.41Å; A166-I181 HydrophobicContact CB-CG1 4.31Å; A166-V184 HydrophobicContact CB-CG1 4.29Å; A166-V184 HydrophobicContact CB-CG2 4.49Å
167I93Very high89.8Confident78 Ų7852.6 Ų52.640%0.428%0.279SS..Hα-helixtrans-61.8-41.6175.7-67164.5000110.4L97 F101 V163 G164 S169 T170L97-I167 HydrophobicContact CD1-CD1 4.36Å; F101-I167 HydrophobicContact CD2-CB 4.29Å; F101-I167 HydrophobicContact CD2-CG2 3.91Å; F101-I167 HydrophobicContact CE2-CG2 4.01Å; V163-I167 HydrophobicContact CG1-CD1 3.86Å; V163-I167 HydrophobicContact CG1-CG1 4.44Å; V163-I167 VanDerWaalsContact O-CG1 3.29Å; V163-I167 WeakPolarHBondContact O-CG1 3.41Å; V163-I167 PolarHBondContact O-N 3.34Å; G164-I167 PolarHBondContact O-N 3.05Å; I167-S169 PolarHBondContact O-N 3.07Å; I167-T170 WeakPolarHBondContact O-CB 3.39Å; I167-T170 WeakPolarHBondContact O-CG2 3.39Å; I167-T170 PolarHBondContact O-N 3.32Å; I167-T170 VanDerWaalsContact O-N 3.1Å; I167-T170 PolarHBondContact O-OG1 3.13Å
168A90.8Very high89.8Confident0 Ų053 Ų530%028%0.281CS..Hα-helixtrans-60.5-30178.500000113.2F101 F108 G164 F165 A166 T170 T171F101-A168 HydrophobicContact CD2-CB 3.8Å; F101-A168 HydrophobicContact CE2-CB 4.13Å; F101-A168 HydrophobicContact CG-CB 4.49Å; F101-A168 VanDerWaalsContact O-CB 3.3Å; F101-A168 WeakPolarHBondContact O-CB 3.32Å; F108-A168 HydrophobicContact CD2-CB 4.39Å; F108-A168 HydrophobicContact CE2-CB 4.14Å; G164-A168 PolarHBondContact O-N 3.38Å; F165-A168 WeakPolarHBondContact O-CB 3.19Å; F165-A168 PolarHBondContact O-N 3.26Å; A166-A168 VanDerWaalsContact C-N 3.32Å; A166-A168 PolarHBondContact O-N 3.34Å; A168-T170 PolarHBondContact O-N 2.91Å; A168-T171 WeakPolarHBondContact O-CB 3.34Å; A168-T171 WeakPolarHBondContact O-CG2 3.44Å; A168-T171 PolarHBondContact O-N 2.74Å; A168-T171 PolarHBondContact O-OG1 2.94Å
169S89.6Confident89.7Confident0 Ų053.2 Ų53.20%028%0.283CS..Hα-helixtrans-64.6-20.7178.179.60000113.8F108 F165 A166 I167 T171 M172 S177 I181F108-S169 VanDerWaalsContact CE2-CA 3.48Å; F165-S169 PolarHBondContact O-N 2.94Å; A166-S169 WeakPolarHBondContact O-CB 3.35Å; A166-S169 PolarHBondContact O-N 3.26Å; A166-S169 PolarHBondContact O-OG 3.41Å; I167-S169 PolarHBondContact O-N 3.07Å; S169-T171 PolarHBondContact O-N 3.39Å; S169-T171 VanDerWaalsContact O-N 3.1Å; S169-M172 WeakPolarHBondContact O-CB 3.16Å; S169-M172 PolarHBondContact O-N 2.96Å; S169-S177 WeakPolarHBondContact O-CB 3.31Å; S169-I181 WeakPolarHBondContact OG-CG1 3.49Å
170T88.2Confident89.4Confident90 Ų9048.9 Ų48.955%0.55227%0.266SS*.THydrogen-bonded Turntrans-64.3-13.817764.20000113.6I167 A168 M172I167-T170 WeakPolarHBondContact O-CB 3.39Å; I167-T170 WeakPolarHBondContact O-CG2 3.39Å; I167-T170 PolarHBondContact O-N 3.32Å; I167-T170 VanDerWaalsContact O-N 3.1Å; I167-T170 PolarHBondContact O-OG1 3.13Å; A168-T170 PolarHBondContact O-N 2.91Å; T170-M172 PolarHBondContact O-N 3.41Å
171T83.8Confident89.3Confident76 Ų7650.7 Ų50.747%0.46628%0.275SS..THydrogen-bonded Turntrans-69.6-15.7170.860.70000113.3L105 A168 S169L105-T171 HydrophobicContact CD1-CG2 3.92Å; A168-T171 WeakPolarHBondContact O-CB 3.34Å; A168-T171 WeakPolarHBondContact O-CG2 3.44Å; A168-T171 PolarHBondContact O-N 2.74Å; A168-T171 PolarHBondContact O-OG1 2.94Å; S169-T171 PolarHBondContact O-N 3.39Å; S169-T171 VanDerWaalsContact O-N 3.1Å
172M82.6Confident89.3Confident57 Ų5750.7 Ų50.728%0.28128%0.276SS..SBendtrans-90.4169.2176.2-55.3-177.675.700111.7F108 S169 T170 K176 V180F108-M172 HydrophobicContact CB-CG 3.97Å; F108-M172 HydrophobicContact CB-SD 3.92Å; F108-M172 HydrophobicContact CD1-CE 4.38Å; F108-M172 HydrophobicContact CD1-CG 4.42Å; F108-M172 HydrophobicContact CD1-SD 3.34Å; F108-M172 WeakPolarHBondContact CD1-SD 3.32Å; F108-M172 HydrophobicContact CD2-SD 4.34Å; F108-M172 HydrophobicContact CE1-SD 3.94Å; F108-M172 HydrophobicContact CG-CG 4.09Å; F108-M172 HydrophobicContact CG-SD 3.6Å; F108-M172 VanDerWaalsContact CG-SD 3.6Å; S169-M172 WeakPolarHBondContact O-CB 3.16Å; S169-M172 PolarHBondContact O-N 2.96Å; T170-M172 PolarHBondContact O-N 3.41Å; M172-K176 HydrophobicContact CB-CB 4.36Å; M172-K176 HydrophobicContact CE-CB 4.08Å; M172-K176 HydrophobicContact CE-CD 4.24Å; M172-V180 HydrophobicContact SD-CG2 4.46Å
173L83.6Confident89.2Confident132 Ų13251 Ų5169%0.69128%0.278SS*.  trans-54.4143.9169.8-70.3166.4000111E175 K176 S177L173-E175 VanDerWaalsContact C-N 3.26Å; L173-E175 PolarHBondContact O-N 3.33Å; L173-E175 VanDerWaalsContact O-N 3.12Å; L173-K176 PolarHBondContact O-N 3.2Å; L173-S177 PolarHBondContact O-N 2.94Å
174V83.6Confident89.1Confident120 Ų12049.4 Ų49.473%0.72727%0.268SS*.Hα-helixtrans-51.8-40.3-171.9179.30000113.5S177 L178V174-S177 WeakPolarHBondContact CA-OG 3.42Å; V174-S177 PolarHBondContact O-OG 2.75Å; V174-L178 WeakPolarHBondContact O-CB 3.32Å; V174-L178 PolarHBondContact O-N 3.32Å
175E80.8Confident89.1Confident143 Ų14352.5 Ų52.567%0.66829%0.287SS*.Hα-helixtrans-68.1-40.1179.6-173.1177.7-175.400112.7L173 S179L173-E175 VanDerWaalsContact C-N 3.26Å; L173-E175 PolarHBondContact O-N 3.33Å; L173-E175 VanDerWaalsContact O-N 3.12Å; E175-S179 PolarHBondContact O-N 3.23Å; E175-S179 PolarHBondContact O-OG 3.44Å; E175-S179 VanDerWaalsContact O-OG 3.1Å
176K83.5Confident89.2Confident71 Ų7152.4 Ų52.431%0.30929%0.286SS..Hα-helixtrans-73.5-39.7178.6-63-173.2-178.3-176.70111.1M172 L173 L178 S179 V180 E218M172-K176 HydrophobicContact CB-CB 4.36Å; M172-K176 HydrophobicContact CE-CB 4.08Å; M172-K176 HydrophobicContact CE-CD 4.24Å; L173-K176 PolarHBondContact O-N 3.2Å; K176-L178 VanDerWaalsContact C-N 3.34Å; K176-L178 PolarHBondContact O-N 3.36Å; K176-S179 PolarHBondContact O-N 3.44Å; K176-V180 WeakPolarHBondContact O-CG2 3.41Å; K176-V180 PolarHBondContact O-N 2.97Å; K176-E218 WeakPolarHBondContact CE-OE2 2.91Å; K176-E218 VanDerWaalsContact NZ-CD 3.32Å; K176-E218 IonicContact NZ-OE1 2.93Å; K176-E218 PolarHBondContact NZ-OE1 3.05Å; K176-E218 IonicContact NZ-OE2 2.67Å; K176-E218 PolarHBondContact NZ-OE2 2.89Å
177S88.2Confident89.2Confident13 Ų1351.8 Ų51.89%0.09128%0.281CS..Hα-helixtrans-63-41.4176.368.90000111.3S169 L173 V174 S179 V180 I181S169-S177 WeakPolarHBondContact O-CB 3.31Å; L173-S177 PolarHBondContact O-N 2.94Å; V174-S177 WeakPolarHBondContact CA-OG 3.42Å; V174-S177 PolarHBondContact O-OG 2.75Å; S177-S179 PolarHBondContact O-N 3.46Å; S177-V180 PolarHBondContact O-N 3.41Å; S177-I181 VanDerWaalsContact O-CG1 3.26Å; S177-I181 WeakPolarHBondContact O-CG1 3.13Å; S177-I181 PolarHBondContact O-N 3.48Å
178L90.2Very high89.4Confident81 Ų8148.9 Ų48.942%0.42427%0.268SS..Hα-helixtrans-62.2-42.1175.9-171.2145000112.3V174 K176 V180 I181 L182 I381V174-L178 WeakPolarHBondContact O-CB 3.32Å; V174-L178 PolarHBondContact O-N 3.32Å; K176-L178 VanDerWaalsContact C-N 3.34Å; K176-L178 PolarHBondContact O-N 3.36Å; L178-V180 VanDerWaalsContact C-N 3.35Å; L178-V180 PolarHBondContact O-N 3.25Å; L178-I181 PolarHBondContact O-N 3.27Å; L178-L182 HydrophobicContact CD2-CD1 3.65Å; L178-L182 HydrophobicContact CD2-CG 4.34Å; L178-L182 WeakPolarHBondContact O-CG 3.45Å; L178-L182 PolarHBondContact O-N 2.91Å; L178-I381 HydrophobicContact CD2-CD1 3.68Å; L178-I381 HydrophobicContact CD2-CG1 3.72Å; L178-I381 HydrophobicContact CD2-CG2 4.07Å
179S89.6Confident89.6Confident13 Ų1350.3 Ų50.39%0.09128%0.275CS..Hα-helixtrans-60.1-44.6175.2-59.60000111.7E175 K176 S177 L182 L183 I381 S384E175-S179 PolarHBondContact O-N 3.23Å; E175-S179 PolarHBondContact O-OG 3.44Å; E175-S179 VanDerWaalsContact O-OG 3.1Å; K176-S179 PolarHBondContact O-N 3.44Å; S177-S179 PolarHBondContact O-N 3.46Å; S179-L182 PolarHBondContact O-N 2.96Å; S179-L183 PolarHBondContact O-N 3.28Å; S179-I381 WeakPolarHBondContact OG-CG1 3.46Å; S179-I381 PolarHBondContact OG-N 2.69Å; S179-S384 PolarHBondContact O-OG 2.93Å; S179-S384 VanDerWaalsContact O-OG 3.1Å
180V89.5Confident89.8Confident20 Ų2050.3 Ų50.312%0.12128%0.275CS..Hα-helixtrans-65.8-41.9177.61730000111.9F108 F165 M172 K176 S177 L178 L182 L183 V184F108-V180 HydrophobicContact CE1-CG1 4.05Å; F108-V180 HydrophobicContact CE1-CG2 4.13Å; F108-V180 HydrophobicContact CZ-CG1 3.6Å; F108-V180 HydrophobicContact CZ-CG2 4.46Å; F165-V180 HydrophobicContact CD1-CG1 4.46Å; F165-V180 HydrophobicContact CE1-CG1 3.95Å; M172-V180 HydrophobicContact SD-CG2 4.46Å; K176-V180 WeakPolarHBondContact O-CG2 3.41Å; K176-V180 PolarHBondContact O-N 2.97Å; S177-V180 PolarHBondContact O-N 3.41Å; L178-V180 VanDerWaalsContact C-N 3.35Å; L178-V180 PolarHBondContact O-N 3.25Å; V180-L182 VanDerWaalsContact C-N 3.3Å; V180-L182 PolarHBondContact O-N 2.93Å; V180-L183 WeakPolarHBondContact O-CB 3.29Å; V180-L183 PolarHBondContact O-N 3.28Å; V180-L183 VanDerWaalsContact O-N 3.13Å; V180-V184 HydrophobicContact CG1-CG2 4.49Å; V180-V184 WeakPolarHBondContact O-CG2 3.39Å; V180-V184 PolarHBondContact O-N 3.5Å
181I92.7Very high90.2Very high64 Ų6446 Ų4633%0.32825%0.249SC..Hα-helixtrans-59.1-44.9176.5-69.4164.8000110.3A166 S169 S177 L178 L183 V184 V185A166-I181 HydrophobicContact CB-CG1 4.31Å; S169-I181 WeakPolarHBondContact OG-CG1 3.49Å; S177-I181 VanDerWaalsContact O-CG1 3.26Å; S177-I181 WeakPolarHBondContact O-CG1 3.13Å; S177-I181 PolarHBondContact O-N 3.48Å; L178-I181 PolarHBondContact O-N 3.27Å; I181-L183 VanDerWaalsContact C-N 3.33Å; I181-L183 PolarHBondContact O-N 3.45Å; I181-V184 WeakPolarHBondContact O-CB 3.39Å; I181-V184 PolarHBondContact O-N 2.86Å; I181-V185 WeakPolarHBondContact O-CG2 3.41Å; I181-V185 PolarHBondContact O-N 3.1Å
182L93.6Very high90.7Very high34 Ų3443.7 Ų43.718%0.17823%0.233CC..Hα-helixtrans-63.9-38.4175.5-69173.7000111.9L178 S179 V180 V184 V185 A186 I381 S384 M385 I388L178-L182 HydrophobicContact CD2-CD1 3.65Å; L178-L182 HydrophobicContact CD2-CG 4.34Å; L178-L182 WeakPolarHBondContact O-CG 3.45Å; L178-L182 PolarHBondContact O-N 2.91Å; S179-L182 PolarHBondContact O-N 2.96Å; V180-L182 VanDerWaalsContact C-N 3.3Å; V180-L182 PolarHBondContact O-N 2.93Å; L182-V184 VanDerWaalsContact C-N 3.32Å; L182-V184 PolarHBondContact O-N 3.21Å; L182-V185 WeakPolarHBondContact O-CB 3.19Å; L182-V185 PolarHBondContact O-N 3.21Å; L182-A186 WeakPolarHBondContact O-CB 3.2Å; L182-A186 PolarHBondContact O-N 3.19Å; L182-I381 HydrophobicContact CD1-CB 4.47Å; L182-I381 HydrophobicContact CD1-CG2 3.68Å; L182-S384 VanDerWaalsContact CB-CB 3.5Å; L182-M385 HydrophobicContact CD1-CG 4.18Å; L182-M385 HydrophobicContact CD1-SD 4.36Å; L182-M385 HydrophobicContact CD2-SD 4.01Å; L182-I388 HydrophobicContact CB-CD1 4.27Å; L182-I388 HydrophobicContact CD2-CD1 4.04Å
183L91.9Very high91.2Very high13 Ų1341 Ų417%0.06822%0.22CC..Hα-helixtrans-64.2-36.5175.3-173.268.8000112.4S179 V180 I181 A186 L187 F208 L212 L217 F226 L387S179-L183 PolarHBondContact O-N 3.28Å; V180-L183 WeakPolarHBondContact O-CB 3.29Å; V180-L183 PolarHBondContact O-N 3.28Å; V180-L183 VanDerWaalsContact O-N 3.13Å; I181-L183 VanDerWaalsContact C-N 3.33Å; I181-L183 PolarHBondContact O-N 3.45Å; L183-A186 WeakPolarHBondContact O-CB 3.49Å; L183-A186 PolarHBondContact O-N 3.33Å; L183-L187 PolarHBondContact O-N 3.01Å; L183-F208 HydrophobicContact CD1-CE1 4.46Å; L183-F208 HydrophobicContact CD1-CE2 4.2Å; L183-F208 HydrophobicContact CD1-CZ 3.76Å; L183-F208 HydrophobicContact CG-CZ 4.31Å; L183-L212 HydrophobicContact CD1-CD2 3.91Å; L183-L212 HydrophobicContact CD2-CD2 3.71Å; L183-L212 HydrophobicContact CG-CD2 4.22Å; L183-L217 HydrophobicContact CD1-CD1 4.41Å; L183-L217 HydrophobicContact CD2-CD1 4.24Å; L183-L217 HydrophobicContact CD2-CD2 4.05Å; L183-F226 HydrophobicContact CD2-CZ 4.21Å; L183-L387 HydrophobicContact CD1-CD1 3.9Å
184V93.7Very high91.7Very high13 Ų1334.7 Ų34.78%0.07919%0.187CC..Hα-helixtrans-64.6-41.2173171.90000110.8L162 F165 A166 V180 I181 L182 A186 L187 A188L162-V184 HydrophobicContact CB-CG1 3.77Å; L162-V184 HydrophobicContact CD2-CG1 3.73Å; L162-V184 HydrophobicContact CG-CG1 4.34Å; L162-V184 WeakPolarHBondContact O-CG1 3.38Å; F165-V184 HydrophobicContact CD1-CG2 3.52Å; F165-V184 HydrophobicContact CE1-CG2 4.07Å; A166-V184 HydrophobicContact CB-CG1 4.29Å; A166-V184 HydrophobicContact CB-CG2 4.49Å; V180-V184 HydrophobicContact CG1-CG2 4.49Å; V180-V184 WeakPolarHBondContact O-CG2 3.39Å; V180-V184 PolarHBondContact O-N 3.5Å; I181-V184 WeakPolarHBondContact O-CB 3.39Å; I181-V184 PolarHBondContact O-N 2.86Å; L182-V184 VanDerWaalsContact C-N 3.32Å; L182-V184 PolarHBondContact O-N 3.21Å; V184-A186 VanDerWaalsContact C-N 3.32Å; V184-L187 PolarHBondContact O-N 3.44Å; V184-A188 PolarHBondContact O-N 3.06Å
185V95.3Very high92.1Very high64 Ų6430.6 Ų30.639%0.38816%0.158SC..Hα-helixtrans-62.2-42.5172.9174.90000110.4I181 L182 L187 A188 M189 I388I181-V185 WeakPolarHBondContact O-CG2 3.41Å; I181-V185 PolarHBondContact O-N 3.1Å; L182-V185 WeakPolarHBondContact O-CB 3.19Å; L182-V185 PolarHBondContact O-N 3.21Å; V185-L187 VanDerWaalsContact C-N 3.34Å; V185-L187 PolarHBondContact O-N 2.64Å; V185-A188 WeakPolarHBondContact O-CB 3.29Å; V185-A188 PolarHBondContact O-N 2.64Å; V185-M189 WeakPolarHBondContact O-CG 3.39Å; V185-M189 PolarHBondContact O-N 2.95Å; V185-I388 HydrophobicContact CB-CD1 4.1Å; V185-I388 HydrophobicContact CB-CG1 4.49Å; V185-I388 HydrophobicContact CG1-CD1 3.9Å; V185-I388 HydrophobicContact CG1-CG1 4.18Å
186A95.1Very high92.5Very high0 Ų023.9 Ų23.90%013%0.127CC..Hα-helixtrans-59.7-43.817600000111.8L182 L183 V184 A188 M189 L190 F208 L387 I388L182-A186 WeakPolarHBondContact O-CB 3.2Å; L182-A186 PolarHBondContact O-N 3.19Å; L183-A186 WeakPolarHBondContact O-CB 3.49Å; L183-A186 PolarHBondContact O-N 3.33Å; V184-A186 VanDerWaalsContact C-N 3.32Å; A186-A188 PolarHBondContact O-N 2.72Å; A186-M189 PolarHBondContact O-N 3.24Å; A186-L190 PolarHBondContact O-N 3.49Å; A186-F208 HydrophobicContact CB-CE2 3.64Å; A186-F208 HydrophobicContact CB-CZ 4.33Å; A186-L387 HydrophobicContact CB-CB 3.87Å; A186-I388 HydrophobicContact CB-CG1 3.61Å
187L94.7Very high92.8Very high6 Ų621.8 Ų21.83%0.03112%0.118CC..Hα-helixtrans-62.5-41.2174.6-179.258.7000111.9L162 L183 V184 V185 M189 L190 I191 F208 F229 F230 L233 I234L162-L187 HydrophobicContact CD2-CB 4.36Å; L162-L187 HydrophobicContact CD2-CD2 3.81Å; L162-L187 HydrophobicContact CD2-CG 4.09Å; L183-L187 PolarHBondContact O-N 3.01Å; V184-L187 PolarHBondContact O-N 3.44Å; V185-L187 VanDerWaalsContact C-N 3.34Å; V185-L187 PolarHBondContact O-N 2.64Å; L187-M189 VanDerWaalsContact C-N 3.32Å; L187-M189 PolarHBondContact O-N 3.1Å; L187-L190 HydrophobicContact CD1-CD2 4.45Å; L187-L190 PolarHBondContact O-N 2.9Å; L187-I191 HydrophobicContact CD1-CD1 4.41Å; L187-I191 HydrophobicContact CD1-CG1 4.47Å; L187-I191 HydrophobicContact CG-CD1 4.14Å; L187-I191 VanDerWaalsContact O-CG1 3.32Å; L187-I191 WeakPolarHBondContact O-CG1 3.08Å; L187-I191 PolarHBondContact O-N 3.17Å; L187-F208 HydrophobicContact CB-CE1 4.48Å; L187-F208 HydrophobicContact CB-CZ 3.88Å; L187-F208 HydrophobicContact CD1-CE1 4.2Å; L187-F208 HydrophobicContact CD1-CZ 4.36Å; L187-F229 HydrophobicContact CD2-CD1 4.42Å; L187-F229 HydrophobicContact CD2-CE1 3.83Å; L187-F230 HydrophobicContact CD1-CD2 3.76Å; L187-F230 HydrophobicContact CD1-CE2 3.77Å; L187-F230 HydrophobicContact CD2-CD2 4.42Å; L187-L233 HydrophobicContact CD2-CD1 4.04Å; L187-I234 HydrophobicContact CD1-CD1 3.76Å; L187-I234 HydrophobicContact CD1-CG1 4.16Å
188A95.8Very high92.8Very high17 Ų1721.5 Ų21.514%0.1412%0.116CC..Hα-helixtrans-59.7-44.1174.900000111.3L162 V184 V185 A186 I191 I192L162-A188 HydrophobicContact CD1-CB 3.84Å; V184-A188 PolarHBondContact O-N 3.06Å; V185-A188 WeakPolarHBondContact O-CB 3.29Å; V185-A188 PolarHBondContact O-N 2.64Å; A186-A188 PolarHBondContact O-N 2.72Å; A188-I191 PolarHBondContact O-N 3.35Å; A188-I192 VanDerWaalsContact O-CG1 3.27Å; A188-I192 WeakPolarHBondContact O-CG1 3.47Å; A188-I192 PolarHBondContact O-N 3.14Å
189M95.4Very high92.4Very high30 Ų3024.3 Ų24.315%0.14813%0.125CC..Hα-helixtrans-64.5-40.2177.4-64.5-61.8-81.700111.8V185 A186 L187 I192 D193 I388 P391 L392 M395V185-M189 WeakPolarHBondContact O-CG 3.39Å; V185-M189 PolarHBondContact O-N 2.95Å; A186-M189 PolarHBondContact O-N 3.24Å; L187-M189 VanDerWaalsContact C-N 3.32Å; L187-M189 PolarHBondContact O-N 3.1Å; M189-I192 PolarHBondContact O-N 3.14Å; M189-I192 HydrophobicContact SD-CD1 4.37Å; M189-D193 WeakPolarHBondContact O-CB 3.24Å; M189-D193 PolarHBondContact O-N 3.01Å; M189-I388 HydrophobicContact CG-CG2 4.43Å; M189-P391 HydrophobicContact CB-CB 4.01Å; M189-L392 HydrophobicContact CE-CB 3.79Å; M189-L392 HydrophobicContact CE-CD1 3.38Å; M189-L392 HydrophobicContact CE-CG 4.16Å; M189-M395 HydrophobicContact CE-CE 3.36Å; M189-M395 HydrophobicContact SD-CE 4.17Å
190L95.2Very high92.4Very high0 Ų025.2 Ų25.20%013%0.129CC..Hα-helixtrans-63.1-41.8174.6179.865.3000112.6A186 L187 I192 D193 L194 N204 L205 F208 I234 P391A186-L190 PolarHBondContact O-N 3.49Å; L187-L190 HydrophobicContact CD1-CD2 4.45Å; L187-L190 PolarHBondContact O-N 2.9Å; L190-I192 VanDerWaalsContact C-N 3.32Å; L190-I192 PolarHBondContact O-N 3.06Å; L190-D193 WeakPolarHBondContact O-CB 3.27Å; L190-D193 PolarHBondContact O-N 2.89Å; L190-L194 HydrophobicContact CG-CD1 4.26Å; L190-L194 WeakPolarHBondContact O-CG 3.05Å; L190-L194 PolarHBondContact O-N 2.9Å; L190-N204 HydrophobicContact CD1-CB 3.89Å; L190-L205 HydrophobicContact CD1-CB 4.21Å; L190-L205 HydrophobicContact CD2-CD1 3.87Å; L190-F208 HydrophobicContact CD2-CB 3.79Å; L190-F208 HydrophobicContact CD2-CD1 4.03Å; L190-F208 HydrophobicContact CD2-CD2 4Å; L190-F208 HydrophobicContact CD2-CG 3.68Å; L190-I234 HydrophobicContact CD2-CD1 4.28Å; L190-P391 HydrophobicContact CB-CG 4.44Å
191I95.3Very high92.4Very high0 Ų024.3 Ų24.30%012%0.123CC..Hα-helixtrans-60.7-44.3175.8-71.4164.7000110.4L154 L162 L187 A188 D193 L194 R195 L233 I234 P237L154-I191 HydrophobicContact CD1-CB 4.23Å; L154-I191 HydrophobicContact CD1-CG2 3.65Å; L162-I191 HydrophobicContact CD1-CD1 4.32Å; L187-I191 HydrophobicContact CD1-CD1 4.41Å; L187-I191 HydrophobicContact CD1-CG1 4.47Å; L187-I191 HydrophobicContact CG-CD1 4.14Å; L187-I191 VanDerWaalsContact O-CG1 3.32Å; L187-I191 WeakPolarHBondContact O-CG1 3.08Å; L187-I191 PolarHBondContact O-N 3.17Å; A188-I191 PolarHBondContact O-N 3.35Å; I191-D193 VanDerWaalsContact C-N 3.34Å; I191-L194 PolarHBondContact O-N 3.41Å; I191-R195 WeakPolarHBondContact O-CB 3.32Å; I191-R195 PolarHBondContact O-N 2.91Å; I191-L233 HydrophobicContact CD1-CB 4.17Å; I191-I234 HydrophobicContact CG1-CG1 4.49Å; I191-P237 HydrophobicContact CG2-CB 4.44Å; I191-P237 HydrophobicContact CG2-CG 4.17Å
192I94.8Very high92.3Very high26 Ų2625.5 Ų25.513%0.13313%0.129CC..Hα-helixtrans-63.3-43.7176.7-60.1163.8000109.9L153 A188 M189 L190 L194 R195 M196 M395L153-I192 HydrophobicContact CB-CD1 4.49Å; L153-I192 HydrophobicContact CB-CG1 4.3Å; L153-I192 HydrophobicContact CB-CG2 4.18Å; L153-I192 HydrophobicContact CD2-CG2 4.02Å; A188-I192 VanDerWaalsContact O-CG1 3.27Å; A188-I192 WeakPolarHBondContact O-CG1 3.47Å; A188-I192 PolarHBondContact O-N 3.14Å; M189-I192 PolarHBondContact O-N 3.14Å; M189-I192 HydrophobicContact SD-CD1 4.37Å; L190-I192 VanDerWaalsContact C-N 3.32Å; L190-I192 PolarHBondContact O-N 3.06Å; I192-L194 PolarHBondContact O-N 3.48Å; I192-R195 PolarHBondContact O-N 3.3Å; I192-M196 HydrophobicContact CG2-CG 4.24Å; I192-M196 WeakPolarHBondContact O-CB 3.22Å; I192-M196 WeakPolarHBondContact O-CG 3.45Å; I192-M196 PolarHBondContact O-N 2.99Å; I192-M395 HydrophobicContact CB-SD 3.89Å; I192-M395 HydrophobicContact CG2-SD 3.41Å; I192-M395 WeakPolarHBondContact CG2-SD 3.49Å
193D94Very high92.3Very high0 Ų026.7 Ų26.70%014%0.139CC..Hα-helixtrans-59.4-46.3179.4-161.229.2000112.1M189 L190 I191 R195 M196 K197 S198 A201 N204 P391 S394 M395M189-D193 WeakPolarHBondContact O-CB 3.24Å; M189-D193 PolarHBondContact O-N 3.01Å; L190-D193 WeakPolarHBondContact O-CB 3.27Å; L190-D193 PolarHBondContact O-N 2.89Å; I191-D193 VanDerWaalsContact C-N 3.34Å; D193-R195 PolarHBondContact O-N 3.47Å; D193-M196 PolarHBondContact O-N 3.46Å; D193-K197 PolarHBondContact O-N 3.43Å; D193-K197 VanDerWaalsContact O-N 3.11Å; D193-S198 PolarHBondContact O-N 3.06Å; D193-S198 WeakPolarHBondContact OD1-CB 3.13Å; D193-S198 PolarHBondContact OD1-OG 3.01Å; D193-S198 PolarHBondContact OD2-OG 3.41Å; D193-A201 HydrophobicContact CB-CB 4.47Å; D193-A201 WeakPolarHBondContact OD2-CA 3.42Å; D193-N204 PolarHBondContact OD2-ND2 3.2Å; D193-P391 HydrophobicContact CB-CB 4.19Å; D193-S394 PolarHBondContact OD1-OG 3.1Å; D193-S394 WeakPolarHBondContact OD2-CB 3.48Å; D193-S394 PolarHBondContact OD2-OG 3.37Å; D193-M395 HydrophobicContact CB-CG 3.83Å; D193-M395 HydrophobicContact CB-SD 4.42Å; D193-M395 WeakPolarHBondContact OD1-CG 3.37Å; D193-M395 PolarHBondContact OD1-N 3.4Å
194L92.9Very high92.3Very high0 Ų026.6 Ų26.60%014%0.139CC..Hα-helixtrans-61.8-42.8174.5-70.8167.3000112.1L190 I191 I192 K197 A201 L205 I234 P237 I241L190-L194 HydrophobicContact CG-CD1 4.26Å; L190-L194 WeakPolarHBondContact O-CG 3.05Å; L190-L194 PolarHBondContact O-N 2.9Å; I191-L194 PolarHBondContact O-N 3.41Å; I192-L194 PolarHBondContact O-N 3.48Å; L194-K197 WeakPolarHBondContact O-CA 3.11Å; L194-K197 PolarHBondContact O-N 3.19Å; L194-A201 HydrophobicContact CD2-CB 3.96Å; L194-A201 HydrophobicContact CG-CB 4.41Å; L194-L205 HydrophobicContact CD1-CD2 4.47Å; L194-L205 HydrophobicContact CD2-CB 4.42Å; L194-L205 HydrophobicContact CD2-CD2 4.27Å; L194-I234 HydrophobicContact CD1-CG2 4.09Å; L194-P237 HydrophobicContact CB-CB 4Å; L194-I241 HydrophobicContact CD2-CD1 3.67Å
195R91.6Very high92.3Very high34 Ų3427 Ų2713%0.12814%0.141CC..Hα-helixtrans-69-35.9-179.3-169.3179.6-67.1-800.2112.3T152 L153 E158 I191 I192 D193 K197 D240T152-R195 WeakPolarHBondContact O-CD 3.48Å; L153-R195 WeakPolarHBondContact O-CD 3.21Å; L153-R195 PolarHBondContact O-NE 3.23Å; E158-R195 VanDerWaalsContact CD-NH2 3.34Å; E158-R195 IonicContact OE1-CZ 2.56Å; E158-R195 IonicContact OE1-NH2 2.74Å; E158-R195 PolarHBondContact OE1-NH2 3.3Å; E158-R195 IonicContact OE2-NH2 3.32Å; E158-R195 PolarHBondContact OE2-NH2 3.47Å; E158-R195 VanDerWaalsContact OE2-NH2 3.17Å; I191-R195 WeakPolarHBondContact O-CB 3.32Å; I191-R195 PolarHBondContact O-N 2.91Å; I192-R195 PolarHBondContact O-N 3.3Å; D193-R195 PolarHBondContact O-N 3.47Å; R195-K197 PolarHBondContact O-N 3.32Å; R195-D240 IonicContact NH1-OD2 2.82Å
196M89.9Confident92.1Very high2 Ų228 Ų281%0.0115%0.147CC..Hα-helixtrans-71.7-9.5170-65.5-54.3113.900112.2L153 I192 D193 S198 R251 W252L153-M196 HydrophobicContact CD2-CE 3.67Å; L153-M196 HydrophobicContact CD2-SD 4.22Å; I192-M196 HydrophobicContact CG2-CG 4.24Å; I192-M196 WeakPolarHBondContact O-CB 3.22Å; I192-M196 WeakPolarHBondContact O-CG 3.45Å; I192-M196 PolarHBondContact O-N 2.99Å; D193-M196 PolarHBondContact O-N 3.46Å; M196-S198 PolarHBondContact O-N 2.85Å; M196-R251 PolarHBondContact O-NH1 3.04Å; M196-R251 HydrophobicContact SD-CB 4.49Å; M196-W252 HydrophobicContact CB-CH2 3.95Å; M196-W252 HydrophobicContact CB-CZ2 3.62Å; M196-W252 HydrophobicContact CG-CD2 4.35Å; M196-W252 HydrophobicContact CG-CE3 4.24Å; M196-W252 HydrophobicContact CG-CH2 3.78Å; M196-W252 HydrophobicContact CG-CZ2 3.88Å; M196-W252 HydrophobicContact CG-CZ3 3.97Å; M196-W252 HydrophobicContact SD-CD2 3.75Å; M196-W252 HydrophobicContact SD-CE3 3.79Å; M196-W252 HydrophobicContact SD-CG 4.27Å; M196-W252 HydrophobicContact SD-CH2 4.39Å; M196-W252 HydrophobicContact SD-CZ2 4.35Å; M196-W252 HydrophobicContact SD-CZ3 4.13Å
197K90.1Very high91.9Very high28 Ų2831 Ų3112%0.12216%0.162CC..THydrogen-bonded Turntrans47.543-175.7-28.4175.6-179.7-169.30112.5D193 L194 R195 D240 I241 S244 R251D193-K197 PolarHBondContact O-N 3.43Å; D193-K197 VanDerWaalsContact O-N 3.11Å; L194-K197 WeakPolarHBondContact O-CA 3.11Å; L194-K197 PolarHBondContact O-N 3.19Å; R195-K197 PolarHBondContact O-N 3.32Å; K197-D240 WeakPolarHBondContact CE-O 3.36Å; K197-D240 PolarHBondContact NZ-O 3.47Å; K197-I241 HydrophobicContact CG-CG1 4.32Å; K197-I241 PolarHBondContact NZ-O 2.9Å; K197-S244 PolarHBondContact NZ-O 3.24Å; K197-R251 VanDerWaalsContact CD-NH1 3.34Å
198S87.3Confident91.8Very high7 Ų730.9 Ų30.95%0.04916%0.161CC..  trans-56.9152.9174.676.80000110.1D193 M196 L200 A201 S394D193-S198 PolarHBondContact O-N 3.06Å; D193-S198 WeakPolarHBondContact OD1-CB 3.13Å; D193-S198 PolarHBondContact OD1-OG 3.01Å; D193-S198 PolarHBondContact OD2-OG 3.41Å; M196-S198 PolarHBondContact O-N 2.85Å; S198-L200 PolarHBondContact O-N 2.62Å; S198-A201 WeakPolarHBondContact O-CB 3.35Å; S198-A201 PolarHBondContact O-N 3.24Å; S198-A201 WeakPolarHBondContact OG-CB 3.4Å; S198-A201 PolarHBondContact OG-N 2.91Å; S198-S394 PolarHBondContact OG-OG 3.19Å; S198-S394 VanDerWaalsContact OG-OG 3.09Å
199F83.1Confident91.4Very high140 Ų14031.5 Ų31.561%0.61417%0.166SC*.THydrogen-bonded Turntrans-58.4-31.7-177.5-179.5-104.4000112.9
200L88.1Confident90.9Very high32 Ų3234 Ų3417%0.16818%0.183CC..THydrogen-bonded Turntrans-101.25.4-176.2-61.3173.1000113.8S198 I202 P203 N204 L364 S394S198-L200 PolarHBondContact O-N 2.62Å; L200-I202 PolarHBondContact O-N 3.47Å; L200-P203 HydrophobicContact CD2-CG 4.41Å; L200-P203 VanDerWaalsContact O-CD 3.27Å; L200-P203 WeakPolarHBondContact O-CD 3.35Å; L200-N204 WeakPolarHBondContact O-CB 3.34Å; L200-N204 PolarHBondContact O-N 3.37Å; L200-N204 PolarHBondContact O-ND2 2.99Å; L200-L364 HydrophobicContact CD1-CD1 3.6Å; L200-L364 HydrophobicContact CD1-CD2 4.46Å; L200-S394 WeakPolarHBondContact CB-OG 3.47Å
201A90.8Very high90.3Very high1 Ų134.8 Ų34.81%0.00819%0.187CC..Hα-helixtrans-60.6-39-179.100000113.8D193 L194 S198 N204 L205D193-A201 HydrophobicContact CB-CB 4.47Å; D193-A201 WeakPolarHBondContact OD2-CA 3.42Å; L194-A201 HydrophobicContact CD2-CB 3.96Å; L194-A201 HydrophobicContact CG-CB 4.41Å; S198-A201 WeakPolarHBondContact O-CB 3.35Å; S198-A201 PolarHBondContact O-N 3.24Å; S198-A201 WeakPolarHBondContact OG-CB 3.4Å; S198-A201 PolarHBondContact OG-N 2.91Å; A201-N204 PolarHBondContact O-N 2.96Å; A201-L205 WeakPolarHBondContact O-CB 3.42Å; A201-L205 PolarHBondContact O-N 2.89Å
202I90.9Very high89.4Confident88 Ų8835.2 Ų35.245%0.45119%0.189SC..Hα-helixtrans-69.2-49.3178.6-61.9173.6000111.1L200 N204 L205 V206 I241L200-I202 PolarHBondContact O-N 3.47Å; I202-N204 VanDerWaalsContact C-N 3.28Å; I202-N204 PolarHBondContact O-N 2.89Å; I202-L205 WeakPolarHBondContact O-CB 2.92Å; I202-L205 PolarHBondContact O-N 2.82Å; I202-L205 VanDerWaalsContact O-N 3.14Å; I202-V206 WeakPolarHBondContact O-CG2 3.37Å; I202-V206 PolarHBondContact O-N 3.39Å; I202-I241 HydrophobicContact CG1-CD1 4.27Å
203P92Very high88.1Confident60 Ų6040.8 Ų40.839%0.3921%0.213SC..Hα-helixtrans-50.8-45.5169.2-29.433.2000113.4L200 L205 V206 I207L200-P203 HydrophobicContact CD2-CG 4.41Å; L200-P203 VanDerWaalsContact O-CD 3.27Å; L200-P203 WeakPolarHBondContact O-CD 3.35Å; P203-L205 VanDerWaalsContact C-N 3.34Å; P203-L205 PolarHBondContact O-N 2.73Å; P203-V206 PolarHBondContact O-N 3.33Å; P203-I207 VanDerWaalsContact O-CG1 3.31Å; P203-I207 WeakPolarHBondContact O-CG1 3.32Å; P203-I207 PolarHBondContact O-N 3.27Å
204N93Very high86.7Confident11 Ų1145.3 Ų45.36%0.05923%0.233CC..Hα-helixtrans-61.8-40.2177.4-74.8-20.7000112.5L190 D193 L200 A201 I202 V206 I207 F208 S394L190-N204 HydrophobicContact CD1-CB 3.89Å; D193-N204 PolarHBondContact OD2-ND2 3.2Å; L200-N204 WeakPolarHBondContact O-CB 3.34Å; L200-N204 PolarHBondContact O-N 3.37Å; L200-N204 PolarHBondContact O-ND2 2.99Å; A201-N204 PolarHBondContact O-N 2.96Å; I202-N204 VanDerWaalsContact C-N 3.28Å; I202-N204 PolarHBondContact O-N 2.89Å; N204-V206 VanDerWaalsContact C-N 3.35Å; N204-I207 PolarHBondContact O-N 3.4Å; N204-F208 VanDerWaalsContact O-CB 3.22Å; N204-F208 WeakPolarHBondContact O-CB 3.07Å; N204-F208 PolarHBondContact O-N 3.46Å; N204-S394 WeakPolarHBondContact ND2-CB 3.38Å; N204-S394 PolarHBondContact ND2-OG 3.14Å; N204-S394 VanDerWaalsContact ND2-OG 3.08Å
205L93.5Very high85.1Confident22 Ų2250.1 Ų50.112%0.11527%0.267CS..Hα-helixtrans-61.8-43175.1174.561.9000111.7L190 L194 A201 I202 P203 F208 A209 F230 I234 F238L190-L205 HydrophobicContact CD1-CB 4.21Å; L190-L205 HydrophobicContact CD2-CD1 3.87Å; L194-L205 HydrophobicContact CD1-CD2 4.47Å; L194-L205 HydrophobicContact CD2-CB 4.42Å; L194-L205 HydrophobicContact CD2-CD2 4.27Å; A201-L205 WeakPolarHBondContact O-CB 3.42Å; A201-L205 PolarHBondContact O-N 2.89Å; I202-L205 WeakPolarHBondContact O-CB 2.92Å; I202-L205 PolarHBondContact O-N 2.82Å; I202-L205 VanDerWaalsContact O-N 3.14Å; P203-L205 VanDerWaalsContact C-N 3.34Å; P203-L205 PolarHBondContact O-N 2.73Å; L205-F208 PolarHBondContact O-N 2.95Å; L205-A209 VanDerWaalsContact O-CB 3.31Å; L205-A209 WeakPolarHBondContact O-CB 3.4Å; L205-A209 PolarHBondContact O-N 3.41Å; L205-F230 HydrophobicContact CD1-CZ 3.92Å; L205-I234 HydrophobicContact CD1-CD1 3.77Å; L205-I234 HydrophobicContact CD1-CG2 4.02Å; L205-I234 HydrophobicContact CD2-CG2 4.26Å; L205-F238 HydrophobicContact CD2-CD2 3.86Å; L205-F238 HydrophobicContact CD2-CE2 4.28Å
206V91.8Very high83.6Confident85 Ų8549 Ų4952%0.51526%0.263SS..Hα-helixtrans-65.1-46.7177.3175.40000110.6I202 P203 N204 F208 A209 V210I202-V206 WeakPolarHBondContact O-CG2 3.37Å; I202-V206 PolarHBondContact O-N 3.39Å; P203-V206 PolarHBondContact O-N 3.33Å; N204-V206 VanDerWaalsContact C-N 3.35Å; V206-F208 VanDerWaalsContact C-N 3.34Å; V206-F208 PolarHBondContact O-N 2.92Å; V206-A209 PolarHBondContact O-N 2.87Å; V206-V210 HydrophobicContact CG1-CG2 4.34Å; V206-V210 WeakPolarHBondContact O-CB 3.42Å; V206-V210 VanDerWaalsContact O-CG2 3.29Å; V206-V210 WeakPolarHBondContact O-CG2 3.23Å; V206-V210 PolarHBondContact O-N 2.93Å
207I90.6Very high82.3Confident63 Ų6350.4 Ų50.432%0.32327%0.271SS..Hα-helixtrans-59.3-47.5177-69.7166.8000110.1P203 N204 A209 V210 L211 L387 L390P203-I207 VanDerWaalsContact O-CG1 3.31Å; P203-I207 WeakPolarHBondContact O-CG1 3.32Å; P203-I207 PolarHBondContact O-N 3.27Å; N204-I207 PolarHBondContact O-N 3.4Å; I207-A209 PolarHBondContact O-N 2.71Å; I207-V210 PolarHBondContact O-N 3.18Å; I207-L211 HydrophobicContact CG2-CD1 3.57Å; I207-L211 HydrophobicContact CG2-CG 4.25Å; I207-L211 VanDerWaalsContact O-CB 3.27Å; I207-L211 WeakPolarHBondContact O-CB 3.47Å; I207-L211 VanDerWaalsContact O-CG 3.24Å; I207-L211 WeakPolarHBondContact O-CG 3.26Å; I207-L211 PolarHBondContact O-N 3.17Å; I207-L387 HydrophobicContact CG2-CD2 4.21Å; I207-L390 HydrophobicContact CG2-CD1 4.11Å
208F91Very high81.1Confident3 Ų355.1 Ų55.11%0.01329%0.293CS..Hα-helixtrans-57.9-51177.1-163.1-81.8000110.8L183 A186 L187 L190 N204 L205 V206 V210 L211 L212 F230 L387L183-F208 HydrophobicContact CD1-CE1 4.46Å; L183-F208 HydrophobicContact CD1-CE2 4.2Å; L183-F208 HydrophobicContact CD1-CZ 3.76Å; L183-F208 HydrophobicContact CG-CZ 4.31Å; A186-F208 HydrophobicContact CB-CE2 3.64Å; A186-F208 HydrophobicContact CB-CZ 4.33Å; L187-F208 HydrophobicContact CB-CE1 4.48Å; L187-F208 HydrophobicContact CB-CZ 3.88Å; L187-F208 HydrophobicContact CD1-CE1 4.2Å; L187-F208 HydrophobicContact CD1-CZ 4.36Å; L190-F208 HydrophobicContact CD2-CB 3.79Å; L190-F208 HydrophobicContact CD2-CD1 4.03Å; L190-F208 HydrophobicContact CD2-CD2 4Å; L190-F208 HydrophobicContact CD2-CG 3.68Å; N204-F208 VanDerWaalsContact O-CB 3.22Å; N204-F208 WeakPolarHBondContact O-CB 3.07Å; N204-F208 PolarHBondContact O-N 3.46Å; L205-F208 PolarHBondContact O-N 2.95Å; V206-F208 VanDerWaalsContact C-N 3.34Å; V206-F208 PolarHBondContact O-N 2.92Å; F208-V210 PolarHBondContact O-N 2.89Å; F208-L211 PolarHBondContact O-N 3.25Å; F208-L212 HydrophobicContact CD1-CD1 3.54Å; F208-L212 HydrophobicContact CD1-CD2 4.28Å; F208-L212 HydrophobicContact CD1-CG 3.71Å; F208-L212 HydrophobicContact CE1-CD1 3.56Å; F208-L212 HydrophobicContact CE1-CD2 3.76Å; F208-L212 HydrophobicContact CE1-CG 3.7Å; F208-L212 HydrophobicContact CZ-CD2 4.39Å; F208-L212 WeakPolarHBondContact O-CB 3.46Å; F208-L212 WeakPolarHBondContact O-CG 3.39Å; F208-L212 PolarHBondContact O-N 3.46Å; F208-F230 HydrophobicContact CD1-CD2 4.41Å; F208-F230 AromaticContact CD1-CE2 3.43Å; F208-F230 HydrophobicContact CD1-CE2 3.43Å; F208-F230 VanDerWaalsContact CD1-CE2 3.43Å; F208-F230 AromaticContact CD1-CZ 4Å; F208-F230 HydrophobicContact CD1-CZ 4Å; F208-F230 HydrophobicContact CE1-CD2 4.1Å; F208-F230 AromaticContact CE1-CE2 3.52Å; F208-F230 HydrophobicContact CE1-CE2 3.52Å; F208-F230 HydrophobicContact CE1-CZ 4.5Å; F208-L387 HydrophobicContact CB-CD2 4.38Å; F208-L387 HydrophobicContact CD2-CB 4.09Å; F208-L387 HydrophobicContact CD2-CD1 4.02Å; F208-L387 HydrophobicContact CD2-CD2 3.93Å; F208-L387 HydrophobicContact CD2-CG 4.24Å; F208-L387 HydrophobicContact CE2-CB 4.12Å; F208-L387 HydrophobicContact CE2-CD1 4.1Å; F208-L387 HydrophobicContact CG-CD2 4.45Å
209A87.8Confident79.7Confident30 Ų3059 Ų5925%0.24832%0.317CS..Hα-helixtrans-60.7-42.1179.900000112.9L205 V206 I207 F213 F230L205-A209 VanDerWaalsContact O-CB 3.31Å; L205-A209 WeakPolarHBondContact O-CB 3.4Å; L205-A209 PolarHBondContact O-N 3.41Å; V206-A209 PolarHBondContact O-N 2.87Å; I207-A209 PolarHBondContact O-N 2.71Å; A209-F213 WeakPolarHBondContact O-CD2 3.36Å; A209-F213 WeakPolarHBondContact O-CE2 3.47Å; A209-F230 HydrophobicContact CB-CZ 4.49Å
210V85.1Confident78.9Confident82 Ų8253.7 Ų53.750%0.49730%0.297SS..Hα-helixtrans-67-44.3177.9171.20000111V206 I207 F208 L212 F213 F214V206-V210 HydrophobicContact CG1-CG2 4.34Å; V206-V210 WeakPolarHBondContact O-CB 3.42Å; V206-V210 VanDerWaalsContact O-CG2 3.29Å; V206-V210 WeakPolarHBondContact O-CG2 3.23Å; V206-V210 PolarHBondContact O-N 2.93Å; I207-V210 PolarHBondContact O-N 3.18Å; F208-V210 PolarHBondContact O-N 2.89Å; V210-L212 VanDerWaalsContact C-N 3.32Å; V210-L212 PolarHBondContact O-N 3.46Å; V210-F213 PolarHBondContact O-N 3.42Å; V210-F214 HydrophobicContact CG1-CE2 4.43Å
211L83.4Confident78.3Confident17 Ų1757.1 Ų57.19%0.08931%0.31CS..Hα-helixtrans-75.7-19.7-176.9-66.8-178.4000113.3I207 F208 F213 F214 W375 L383 F386 L387I207-L211 HydrophobicContact CG2-CD1 3.57Å; I207-L211 HydrophobicContact CG2-CG 4.25Å; I207-L211 VanDerWaalsContact O-CB 3.27Å; I207-L211 WeakPolarHBondContact O-CB 3.47Å; I207-L211 VanDerWaalsContact O-CG 3.24Å; I207-L211 WeakPolarHBondContact O-CG 3.26Å; I207-L211 PolarHBondContact O-N 3.17Å; F208-L211 PolarHBondContact O-N 3.25Å; L211-F213 PolarHBondContact O-N 2.89Å; L211-F214 HydrophobicContact CD2-CD2 3.82Å; L211-F214 HydrophobicContact CD2-CE2 4.15Å; L211-F214 HydrophobicContact CD2-CG 4.29Å; L211-F214 WeakPolarHBondContact O-CB 3.48Å; L211-F214 PolarHBondContact O-N 3.36Å; L211-W375 HydrophobicContact CD1-CH2 4.11Å; L211-W375 HydrophobicContact CD2-CH2 3.59Å; L211-W375 HydrophobicContact CD2-CZ2 4.09Å; L211-W375 HydrophobicContact CG-CH2 4.47Å; L211-L383 HydrophobicContact CB-CD1 4.19Å; L211-L383 HydrophobicContact CD1-CD1 3.96Å; L211-L383 HydrophobicContact CG-CD1 4.44Å; L211-F386 HydrophobicContact CD1-CD1 4.35Å; L211-F386 HydrophobicContact CD1-CE1 4.23Å; L211-L387 HydrophobicContact CB-CD1 4.4Å; L211-L387 HydrophobicContact CB-CD2 4.47Å; L211-L387 HydrophobicContact CD1-CD2 4Å
212L75.4Confident77.8Confident9 Ų957.1 Ų57.15%0.04731%0.31CS..Hα-helixtrans-61.6-28.1170-82.4176.6000113.5L183 F208 V210 F226 F230L183-L212 HydrophobicContact CD1-CD2 3.91Å; L183-L212 HydrophobicContact CD2-CD2 3.71Å; L183-L212 HydrophobicContact CG-CD2 4.22Å; F208-L212 HydrophobicContact CD1-CD1 3.54Å; F208-L212 HydrophobicContact CD1-CD2 4.28Å; F208-L212 HydrophobicContact CD1-CG 3.71Å; F208-L212 HydrophobicContact CE1-CD1 3.56Å; F208-L212 HydrophobicContact CE1-CD2 3.76Å; F208-L212 HydrophobicContact CE1-CG 3.7Å; F208-L212 HydrophobicContact CZ-CD2 4.39Å; F208-L212 WeakPolarHBondContact O-CB 3.46Å; F208-L212 WeakPolarHBondContact O-CG 3.39Å; F208-L212 PolarHBondContact O-N 3.46Å; V210-L212 VanDerWaalsContact C-N 3.32Å; V210-L212 PolarHBondContact O-N 3.46Å; L212-F226 HydrophobicContact CB-CE1 4.43Å; L212-F226 HydrophobicContact CD1-CE1 3.85Å; L212-F226 HydrophobicContact CD1-CZ 4.29Å; L212-F226 HydrophobicContact CD2-CE1 3.65Å; L212-F226 HydrophobicContact CD2-CZ 3.54Å; L212-F226 HydrophobicContact CG-CE1 4.18Å; L212-F226 HydrophobicContact CG-CZ 4.47Å; L212-F230 HydrophobicContact CD1-CD2 3.8Å; L212-F230 HydrophobicContact CD1-CE1 4.45Å; L212-F230 HydrophobicContact CD1-CE2 3.63Å; L212-F230 HydrophobicContact CD1-CG 4.26Å; L212-F230 HydrophobicContact CD1-CZ 3.97Å
213F67.2Low77.4Confident143 Ų14356.1 Ų56.163%0.62731%0.31SS*.THydrogen-bonded Turntrans-95.33.8179.1-62.4-74.5000113.3A209 V210 L211A209-F213 WeakPolarHBondContact O-CD2 3.36Å; A209-F213 WeakPolarHBondContact O-CE2 3.47Å; V210-F213 PolarHBondContact O-N 3.42Å; L211-F213 PolarHBondContact O-N 2.89Å
214F65.4Low77.1Confident94 Ų9456.1 Ų56.141%0.41231%0.306SS..SBendtrans-76.5146.2177-107-98.8000112.1V210 L211 S216 L217 W375V210-F214 HydrophobicContact CG1-CE2 4.43Å; L211-F214 HydrophobicContact CD2-CD2 3.82Å; L211-F214 HydrophobicContact CD2-CE2 4.15Å; L211-F214 HydrophobicContact CD2-CG 4.29Å; L211-F214 WeakPolarHBondContact O-CB 3.48Å; L211-F214 PolarHBondContact O-N 3.36Å; F214-S216 PolarHBondContact O-N 3.45Å; F214-L217 PolarHBondContact O-N 3.25Å; F214-W375 HydrophobicContact CD1-CZ2 4.37Å
215S58.5Low76.9Confident102 Ų10255.6 Ų55.671%0.71330%0.303SS*.G310 helixtrans-60.3-15.6-175.1-49.20000115.1L217 E218S215-L217 VanDerWaalsContact C-N 3.26Å; S215-L217 PolarHBondContact O-N 3.48Å; S215-E218 PolarHBondContact O-N 3.06Å
216S60Low76.6Confident9 Ų955.7 Ų55.76%0.06330%0.302CS..G310 helixtrans-70.1-21-175.787.80000114.2F214 E218 P377 L383F214-S216 PolarHBondContact O-N 3.45Å; S216-E218 VanDerWaalsContact C-N 3.32Å; S216-P377 WeakPolarHBondContact CA-O 3.27Å; S216-P377 VanDerWaalsContact CB-C 3.46Å; S216-P377 WeakPolarHBondContact CB-O 3.31Å; S216-P377 PolarHBondContact N-O 3.48Å; S216-L383 WeakPolarHBondContact OG-CD2 3.32Å
217L63.1Low76.5Confident33 Ų3352.9 Ų52.917%0.17329%0.288CS..G310 helixtrans-87.8-2.1177.5-83.6155.9000112.6L183 F214 S215 L383L183-L217 HydrophobicContact CD1-CD1 4.41Å; L183-L217 HydrophobicContact CD2-CD1 4.24Å; L183-L217 HydrophobicContact CD2-CD2 4.05Å; F214-L217 PolarHBondContact O-N 3.25Å; S215-L217 VanDerWaalsContact C-N 3.26Å; S215-L217 PolarHBondContact O-N 3.48Å; L217-L383 HydrophobicContact CD1-CD2 3.57Å; L217-L383 HydrophobicContact CG-CD2 3.93Å
218E64.1Low76.5Confident126 Ų12649.9 Ų49.959%0.58927%0.273SS*.  trans4184.3-164.3-76.7-172.9-161.300110.3K176 S215 S216K176-E218 WeakPolarHBondContact CE-OE2 2.91Å; K176-E218 VanDerWaalsContact NZ-CD 3.32Å; K176-E218 IonicContact NZ-OE1 2.93Å; K176-E218 PolarHBondContact NZ-OE1 3.05Å; K176-E218 IonicContact NZ-OE2 2.67Å; K176-E218 PolarHBondContact NZ-OE2 2.89Å; S215-E218 PolarHBondContact O-N 3.06Å; S216-E218 VanDerWaalsContact C-N 3.32Å
219T58Low76.5Confident88 Ų8849.9 Ų49.954%0.5427%0.273SS..  trans-23.5131.9-174.746.70000115K221T219-K221 PolarHBondContact O-N 3.3Å
220P67.6Low76.6Confident30 Ų3049.6 Ų49.620%0.19527%0.266CS..  trans-55.3135.7176.423.5-32.2000109.8N222 F226P220-N222 PolarHBondContact O-N 2.97Å; P220-F226 HydrophobicContact CB-CB 4.26Å; P220-F226 HydrophobicContact CB-CG 4.5Å; P220-F226 HydrophobicContact CG-CB 3.78Å; P220-F226 HydrophobicContact CG-CD1 4.14Å; P220-F226 HydrophobicContact CG-CD2 4.37Å; P220-F226 HydrophobicContact CG-CG 3.83Å
221K74.2Confident77Confident103 Ų10348.4 Ų48.445%0.44826%0.256SS..SBendtrans-59.7-24.6-173.5-60.2-166.2-177.1-1760112.3C107 L109 D110 N111 T219C107-K221 PolarHBondContact O-N 3.12Å; L109-K221 WeakPolarHBondContact O-CB 3.46Å; D110-K221 VanDerWaalsContact CA-CD 3.45Å; D110-K221 HydrophobicContact CB-CD 3.94Å; D110-K221 IonicContact OD2-NZ 3.46Å; D110-K221 PolarHBondContact OD2-NZ 2.86Å; N111-K221 WeakPolarHBondContact CB-O 3.47Å; T219-K221 PolarHBondContact O-N 3.3Å
222N80.8Confident77.3Confident1 Ų148.6 Ų48.61%0.00526%0.259CS..  trans-119.196.5165.6-168.7-19.7000111.9R55 C107 P220 I224 A225 F226R55-N222 PolarHBondContact NH2-ND2 2.78Å; C107-N222 PolarHBondContact O-N 3.11Å; P220-N222 PolarHBondContact O-N 2.97Å; N222-I224 VanDerWaalsContact C-N 3.32Å; N222-I224 PolarHBondContact O-N 2.92Å; N222-I224 PolarHBondContact OD1-N 3.4Å; N222-A225 HydrophobicContact CB-CB 4.15Å; N222-A225 PolarHBondContact OD1-N 3.43Å; N222-F226 PolarHBondContact O-N 3.18Å
223P82.8Confident78.1Confident68 Ų6848.5 Ų48.544%0.44226%0.258SS..Hα-helixtrans-70.5-25.4-177.527.6-34.7000113.5F226 A227P223-F226 PolarHBondContact O-N 2.94Å; P223-A227 WeakPolarHBondContact O-CB 3.41Å; P223-A227 PolarHBondContact O-N 3.25Å
224I86.5Confident79.3Confident59 Ų5942.2 Ų42.230%0.30323%0.231SC..Hα-helixtrans-74-40.6-179.3-64.8170.6000110.5K124 L127 N222 F226 A227 C228K124-I224 HydrophobicContact CB-CD1 3.86Å; K124-I224 HydrophobicContact CD-CD1 3.8Å; K124-I224 HydrophobicContact CG-CD1 3.72Å; L127-I224 HydrophobicContact CB-CG2 4.04Å; L127-I224 HydrophobicContact CD1-CG2 4.26Å; N222-I224 VanDerWaalsContact C-N 3.32Å; N222-I224 PolarHBondContact O-N 2.92Å; N222-I224 PolarHBondContact OD1-N 3.4Å; I224-F226 VanDerWaalsContact C-N 3.3Å; I224-F226 PolarHBondContact O-N 2.62Å; I224-A227 PolarHBondContact O-N 3.43Å; I224-C228 WeakPolarHBondContact O-CB 3.5Å; I224-C228 PolarHBondContact O-N 2.97Å
225A87.9Confident80.6Confident0 Ų038.2 Ų38.20%021%0.214CC..Hα-helixtrans-61.7-41.1173.400000111.5L103 L106 C107 L127 N222 C228 F229L103-A225 HydrophobicContact CD1-CB 4.36Å; L106-A225 HydrophobicContact CB-CB 4.37Å; L106-A225 HydrophobicContact CD2-CB 3.87Å; L106-A225 HydrophobicContact CG-CB 4.18Å; C107-A225 VanDerWaalsContact SG-C 3.55Å; L127-A225 HydrophobicContact CD1-CB 4.02Å; N222-A225 HydrophobicContact CB-CB 4.15Å; N222-A225 PolarHBondContact OD1-N 3.43Å; A225-C228 WeakPolarHBondContact O-CB 3.44Å; A225-C228 PolarHBondContact O-N 3.22Å; A225-F229 PolarHBondContact O-N 3.21Å
226F87.9Confident82.1Confident24 Ų2434.8 Ų34.811%0.10519%0.188CC..Hα-helixtrans-65.8-44.6176.6-176.2-102.6000112.2C107 F165 L183 L212 P220 N222 P223 I224 C228 F229 F230C107-F226 PolarHBondContact SG-N 3.21Å; F165-F226 HydrophobicContact CE1-CE2 4.49Å; F165-F226 AromaticContact CZ-CD2 3.86Å; F165-F226 HydrophobicContact CZ-CD2 3.86Å; F165-F226 HydrophobicContact CZ-CE2 4.02Å; L183-F226 HydrophobicContact CD2-CZ 4.21Å; L212-F226 HydrophobicContact CB-CE1 4.43Å; L212-F226 HydrophobicContact CD1-CE1 3.85Å; L212-F226 HydrophobicContact CD1-CZ 4.29Å; L212-F226 HydrophobicContact CD2-CE1 3.65Å; L212-F226 HydrophobicContact CD2-CZ 3.54Å; L212-F226 HydrophobicContact CG-CE1 4.18Å; L212-F226 HydrophobicContact CG-CZ 4.47Å; P220-F226 HydrophobicContact CB-CB 4.26Å; P220-F226 HydrophobicContact CB-CG 4.5Å; P220-F226 HydrophobicContact CG-CB 3.78Å; P220-F226 HydrophobicContact CG-CD1 4.14Å; P220-F226 HydrophobicContact CG-CD2 4.37Å; P220-F226 HydrophobicContact CG-CG 3.83Å; N222-F226 PolarHBondContact O-N 3.18Å; P223-F226 PolarHBondContact O-N 2.94Å; I224-F226 VanDerWaalsContact C-N 3.3Å; I224-F226 PolarHBondContact O-N 2.62Å; F226-C228 VanDerWaalsContact C-N 3.29Å; F226-C228 PolarHBondContact O-N 3.34Å; F226-F229 PolarHBondContact O-N 3.44Å; F226-F230 WeakPolarHBondContact O-CB 3.39Å; F226-F230 PolarHBondContact O-N 3.38Å
227A88.4Confident83.6Confident26 Ų2634.4 Ų34.422%0.21519%0.185CC..Hα-helixtrans-60.2-39.4173.500000111.7P223 I224 F230 I231P223-A227 WeakPolarHBondContact O-CB 3.41Å; P223-A227 PolarHBondContact O-N 3.25Å; I224-A227 PolarHBondContact O-N 3.43Å; A227-F230 PolarHBondContact O-N 2.9Å; A227-I231 HydrophobicContact CB-CD1 4.42Å; A227-I231 WeakPolarHBondContact O-CB 3.1Å; A227-I231 WeakPolarHBondContact O-CG1 3.35Å; A227-I231 PolarHBondContact O-N 3.41Å
228C90.9Very high85Confident0 Ų037.5 Ų37.50%020%0.197CC..Hα-helixtrans-60.6-46.6174.9-175.20000112L127 I131 I224 A225 F226 C232L127-C228 HydrophobicContact CB-CB 4.4Å; L127-C228 HydrophobicContact CD2-CB 4.31Å; I131-C228 HydrophobicContact CD1-CB 3.94Å; I131-C228 HydrophobicContact CG1-CB 4Å; I224-C228 WeakPolarHBondContact O-CB 3.5Å; I224-C228 PolarHBondContact O-N 2.97Å; A225-C228 WeakPolarHBondContact O-CB 3.44Å; A225-C228 PolarHBondContact O-N 3.22Å; F226-C228 VanDerWaalsContact C-N 3.29Å; F226-C228 PolarHBondContact O-N 3.34Å; C228-C232 WeakPolarHBondContact O-CB 3.39Å; C228-C232 PolarHBondContact O-N 3.48Å; C228-C232 VanDerWaalsContact O-N 3.1Å; C228-C232 PolarHBondContact O-SG 2.93Å
229F91.1Very high86.2Confident4 Ų432.7 Ų32.72%0.01818%0.176CC..Hα-helixtrans-59.6-51.5175.4176.8-109.5000111.8L103 E161 L162 F165 L187 A225 F226 L233L103-F229 HydrophobicContact CD2-CB 3.62Å; L103-F229 HydrophobicContact CD2-CD2 3.97Å; L103-F229 HydrophobicContact CD2-CG 4.29Å; L103-F229 HydrophobicContact CG-CB 4.17Å; E161-F229 HydrophobicContact CB-CE2 4.46Å; L162-F229 HydrophobicContact CD2-CE1 4.42Å; L162-F229 HydrophobicContact CD2-CZ 4.02Å; F165-F229 HydrophobicContact CB-CE1 4.16Å; F165-F229 HydrophobicContact CB-CE2 3.79Å; F165-F229 HydrophobicContact CB-CZ 3.5Å; F165-F229 VanDerWaalsContact CB-CZ 3.5Å; F165-F229 HydrophobicContact CD1-CE1 4.01Å; F165-F229 HydrophobicContact CD1-CZ 4.22Å; F165-F229 AromaticContact CD2-CD1 3.73Å; F165-F229 HydrophobicContact CD2-CD1 3.73Å; F165-F229 AromaticContact CD2-CD2 3.81Å; F165-F229 HydrophobicContact CD2-CD2 3.81Å; F165-F229 AromaticContact CD2-CE1 3.71Å; F165-F229 HydrophobicContact CD2-CE1 3.71Å; F165-F229 AromaticContact CD2-CE2 3.77Å; F165-F229 HydrophobicContact CD2-CE2 3.77Å; F165-F229 AromaticContact CD2-CG 3.77Å; F165-F229 HydrophobicContact CD2-CG 3.77Å; F165-F229 AromaticContact CD2-CZ 3.71Å; F165-F229 HydrophobicContact CD2-CZ 3.71Å; F165-F229 HydrophobicContact CE1-CE1 4.32Å; F165-F229 HydrophobicContact CE2-CB 4.3Å; F165-F229 AromaticContact CE2-CD1 3.72Å; F165-F229 HydrophobicContact CE2-CD1 3.72Å; F165-F229 HydrophobicContact CE2-CD2 4.38Å; F165-F229 HydrophobicContact CE2-CE1 4.05Å; F165-F229 AromaticContact CE2-CG 3.88Å; F165-F229 HydrophobicContact CE2-CG 3.88Å; F165-F229 HydrophobicContact CE2-CZ 4.49Å; F165-F229 HydrophobicContact CG-CD1 4.19Å; F165-F229 HydrophobicContact CG-CD2 4.46Å; F165-F229 AromaticContact CG-CE1 3.69Å; F165-F229 HydrophobicContact CG-CE1 3.69Å; F165-F229 AromaticContact CG-CE2 3.97Å; F165-F229 HydrophobicContact CG-CE2 3.97Å; F165-F229 AromaticContact CG-CZ 3.55Å; F165-F229 HydrophobicContact CG-CZ 3.55Å; F165-F229 HydrophobicContact CZ-CD1 4.18Å; F165-F229 HydrophobicContact CZ-CE1 4.36Å; L187-F229 HydrophobicContact CD2-CD1 4.42Å; L187-F229 HydrophobicContact CD2-CE1 3.83Å; A225-F229 PolarHBondContact O-N 3.21Å; F226-F229 PolarHBondContact O-N 3.44Å; F229-L233 HydrophobicContact CD1-CD1 4.28Å; F229-L233 HydrophobicContact CD2-CD1 4.03Å; F229-L233 HydrophobicContact CE1-CD1 3.8Å; F229-L233 HydrophobicContact CE2-CD1 3.53Å; F229-L233 HydrophobicContact CE2-CG 4.46Å; F229-L233 HydrophobicContact CG-CD1 4.4Å; F229-L233 HydrophobicContact CZ-CD1 3.41Å; F229-L233 VanDerWaalsContact CZ-CD1 3.41Å; F229-L233 WeakPolarHBondContact O-CG 3.48Å; F229-L233 PolarHBondContact O-N 2.83Å
230F91.2Very high87.7Confident24 Ų2429.1 Ų29.111%0.10515%0.153CC..Hα-helixtrans-61.3-50.9-177.7177.8-101.1000112.7L187 L205 F208 A209 L212 F226 A227 L233 I234L187-F230 HydrophobicContact CD1-CD2 3.76Å; L187-F230 HydrophobicContact CD1-CE2 3.77Å; L187-F230 HydrophobicContact CD2-CD2 4.42Å; L205-F230 HydrophobicContact CD1-CZ 3.92Å; F208-F230 HydrophobicContact CD1-CD2 4.41Å; F208-F230 AromaticContact CD1-CE2 3.43Å; F208-F230 HydrophobicContact CD1-CE2 3.43Å; F208-F230 VanDerWaalsContact CD1-CE2 3.43Å; F208-F230 AromaticContact CD1-CZ 4Å; F208-F230 HydrophobicContact CD1-CZ 4Å; F208-F230 HydrophobicContact CE1-CD2 4.1Å; F208-F230 AromaticContact CE1-CE2 3.52Å; F208-F230 HydrophobicContact CE1-CE2 3.52Å; F208-F230 HydrophobicContact CE1-CZ 4.5Å; A209-F230 HydrophobicContact CB-CZ 4.49Å; L212-F230 HydrophobicContact CD1-CD2 3.8Å; L212-F230 HydrophobicContact CD1-CE1 4.45Å; L212-F230 HydrophobicContact CD1-CE2 3.63Å; L212-F230 HydrophobicContact CD1-CG 4.26Å; L212-F230 HydrophobicContact CD1-CZ 3.97Å; F226-F230 WeakPolarHBondContact O-CB 3.39Å; F226-F230 PolarHBondContact O-N 3.38Å; A227-F230 PolarHBondContact O-N 2.9Å; F230-L233 PolarHBondContact O-N 3.43Å; F230-I234 HydrophobicContact CD1-CD1 3.98Å; F230-I234 HydrophobicContact CD2-CD1 3.49Å; F230-I234 VanDerWaalsContact CD2-CD1 3.49Å; F230-I234 HydrophobicContact CE1-CD1 3.57Å; F230-I234 HydrophobicContact CE2-CD1 3.02Å; F230-I234 HydrophobicContact CE2-CG1 4.43Å; F230-I234 HydrophobicContact CG-CD1 3.96Å; F230-I234 HydrophobicContact CZ-CD1 3.08Å; F230-I234 PolarHBondContact O-N 3.22Å; F230-I234 VanDerWaalsContact O-N 3.07Å
231I91.6Very high88.6Confident57 Ų5729.5 Ų29.529%0.29215%0.153SC..Hα-helixtrans-67.5-42.5-176.3-64167.5000110.6I131 I135 A227 L233 I234 T235I131-I231 HydrophobicContact CD1-CD1 4.19Å; I131-I231 HydrophobicContact CG2-CB 4.21Å; I131-I231 HydrophobicContact CG2-CD1 4.2Å; I131-I231 HydrophobicContact CG2-CG2 3.59Å; I135-I231 HydrophobicContact CD1-CG2 4.02Å; I135-I231 HydrophobicContact CG1-CG2 4.44Å; A227-I231 HydrophobicContact CB-CD1 4.42Å; A227-I231 WeakPolarHBondContact O-CB 3.1Å; A227-I231 WeakPolarHBondContact O-CG1 3.35Å; A227-I231 PolarHBondContact O-N 3.41Å; I231-L233 VanDerWaalsContact C-N 3.27Å; I231-L233 PolarHBondContact O-N 2.98Å; I231-I234 PolarHBondContact O-N 2.99Å; I231-T235 WeakPolarHBondContact O-CB 2.97Å; I231-T235 PolarHBondContact O-N 3.3Å; I231-T235 PolarHBondContact O-OG1 3.27Å
232C90.7Very high89Confident21 Ų2128.3 Ų28.314%0.14215%0.146CC..Hα-helixtrans-61-35.3179.9-74.80000112.9R134 C228R134-C232 HydrophobicContact CG-CB 4.39Å; C228-C232 WeakPolarHBondContact O-CB 3.39Å; C228-C232 PolarHBondContact O-N 3.48Å; C228-C232 VanDerWaalsContact O-N 3.1Å; C228-C232 PolarHBondContact O-SG 2.93Å
233L91.6Very high89.1Confident6 Ų630.5 Ų30.53%0.03116%0.156CC..Hα-helixtrans-76-39176.3-74.3174.8000113E158 E161 L162 L187 I191 F229 F230 I231 P237E158-L233 HydrophobicContact CB-CD2 4.26Å; E158-L233 HydrophobicContact CG-CD2 4.06Å; E161-L233 HydrophobicContact CB-CD2 4.34Å; E161-L233 WeakPolarHBondContact OE2-CD2 3.49Å; L162-L233 HydrophobicContact CD2-CD1 3.9Å; L162-L233 HydrophobicContact CG-CD1 4.23Å; L187-L233 HydrophobicContact CD2-CD1 4.04Å; I191-L233 HydrophobicContact CD1-CB 4.17Å; F229-L233 HydrophobicContact CD1-CD1 4.28Å; F229-L233 HydrophobicContact CD2-CD1 4.03Å; F229-L233 HydrophobicContact CE1-CD1 3.8Å; F229-L233 HydrophobicContact CE2-CD1 3.53Å; F229-L233 HydrophobicContact CE2-CG 4.46Å; F229-L233 HydrophobicContact CG-CD1 4.4Å; F229-L233 HydrophobicContact CZ-CD1 3.41Å; F229-L233 VanDerWaalsContact CZ-CD1 3.41Å; F229-L233 WeakPolarHBondContact O-CG 3.48Å; F229-L233 PolarHBondContact O-N 2.83Å; F230-L233 PolarHBondContact O-N 3.43Å; I231-L233 VanDerWaalsContact C-N 3.27Å; I231-L233 PolarHBondContact O-N 2.98Å; L233-P237 WeakPolarHBondContact O-CD 3.35Å
234I92.5Very high89.1Confident11 Ų1127.7 Ų27.76%0.05614%0.138CC..Hα-helixtrans-82.2-24-175.2-74.4167.9000113.4L187 L190 I191 L194 L205 F230 I231 D236 P237 F238L187-I234 HydrophobicContact CD1-CD1 3.76Å; L187-I234 HydrophobicContact CD1-CG1 4.16Å; L190-I234 HydrophobicContact CD2-CD1 4.28Å; I191-I234 HydrophobicContact CG1-CG1 4.49Å; L194-I234 HydrophobicContact CD1-CG2 4.09Å; L205-I234 HydrophobicContact CD1-CD1 3.77Å; L205-I234 HydrophobicContact CD1-CG2 4.02Å; L205-I234 HydrophobicContact CD2-CG2 4.26Å; F230-I234 HydrophobicContact CD1-CD1 3.98Å; F230-I234 HydrophobicContact CD2-CD1 3.49Å; F230-I234 VanDerWaalsContact CD2-CD1 3.49Å; F230-I234 HydrophobicContact CE1-CD1 3.57Å; F230-I234 HydrophobicContact CE2-CD1 3.02Å; F230-I234 HydrophobicContact CE2-CG1 4.43Å; F230-I234 HydrophobicContact CG-CD1 3.96Å; F230-I234 HydrophobicContact CZ-CD1 3.08Å; F230-I234 PolarHBondContact O-N 3.22Å; F230-I234 VanDerWaalsContact O-N 3.07Å; I231-I234 PolarHBondContact O-N 2.99Å; I234-D236 VanDerWaalsContact C-N 3.32Å; I234-D236 PolarHBondContact O-N 3.31Å; I234-P237 WeakPolarHBondContact O-CD 3.29Å; I234-P237 VanDerWaalsContact O-CG 3.27Å; I234-P237 WeakPolarHBondContact O-CG 3.4Å; I234-F238 HydrophobicContact CG2-CB 4.07Å; I234-F238 WeakPolarHBondContact O-CB 3.32Å; I234-F238 PolarHBondContact O-N 2.96Å
235T92.3Very high88.8Confident11 Ų1128.4 Ų28.47%0.06716%0.16CC..Hα-helixtrans-51.9-49.1-176-67.10000112.2I135 I231 L239I135-T235 HydrophobicContact CB-CG2 4.47Å; I135-T235 HydrophobicContact CG1-CG2 4.01Å; I231-T235 WeakPolarHBondContact O-CB 2.97Å; I231-T235 PolarHBondContact O-N 3.3Å; I231-T235 PolarHBondContact O-OG1 3.27Å; T235-L239 HydrophobicContact CG2-CD1 3.89Å; T235-L239 WeakPolarHBondContact O-CB 3.45Å; T235-L239 VanDerWaalsContact O-CG 3.23Å; T235-L239 WeakPolarHBondContact O-CG 3.39Å; T235-L239 PolarHBondContact O-N 2.86Å
236D90.8Very high88.6Confident30 Ų3030.2 Ų30.216%0.1617%0.169CC..Hα-helixtrans-65.7-55.5-178.6-77-23000113.8R134 S138 R142 I234 F238 L239 D240R134-D236 IonicContact CZ-OD2 2.72Å; R134-D236 IonicContact NH2-OD2 2.87Å; R134-D236 PolarHBondContact NH2-OD2 2.97Å; S138-D236 WeakPolarHBondContact CB-OD1 3.29Å; S138-D236 PolarHBondContact OG-OD1 3.4Å; R142-D236 IonicContact CZ-OD1 3.07Å; R142-D236 IonicContact NH1-OD1 3.77Å; R142-D236 PolarHBondContact NH1-OD1 3.3Å; R142-D236 VanDerWaalsContact NH2-CA 3.28Å; R142-D236 VanDerWaalsContact NH2-CB 3.34Å; R142-D236 PolarHBondContact NH2-O 2.82Å; R142-D236 VanDerWaalsContact NH2-O 3.13Å; R142-D236 IonicContact NH2-OD1 3.35Å; R142-D236 PolarHBondContact NH2-OD1 3.32Å; R142-D236 VanDerWaalsContact NH2-OD1 3.13Å; I234-D236 VanDerWaalsContact C-N 3.32Å; I234-D236 PolarHBondContact O-N 3.31Å; D236-F238 VanDerWaalsContact C-N 3.27Å; D236-F238 PolarHBondContact O-N 2.69Å; D236-L239 PolarHBondContact O-N 3.42Å; D236-D240 WeakPolarHBondContact O-CB 3.47Å; D236-D240 VanDerWaalsContact O-CG 3.22Å; D236-D240 PolarHBondContact O-N 3.2Å
237P91.6Very high88.4Confident0 Ų031.2 Ų31.20%018%0.179CC..Hα-helixtrans-62.7-33178.924.8-35000112.6I191 L194 L233 I234 D240 I241I191-P237 HydrophobicContact CG2-CB 4.44Å; I191-P237 HydrophobicContact CG2-CG 4.17Å; L194-P237 HydrophobicContact CB-CB 4Å; L233-P237 WeakPolarHBondContact O-CD 3.35Å; I234-P237 WeakPolarHBondContact O-CD 3.29Å; I234-P237 VanDerWaalsContact O-CG 3.27Å; I234-P237 WeakPolarHBondContact O-CG 3.4Å; P237-D240 PolarHBondContact O-N 3.01Å; P237-I241 PolarHBondContact O-N 2.93Å
238F91.9Very high88.3Confident98 Ų9831 Ų3143%0.4318%0.175SC..Hα-helixtrans-64.8-49.8175.6177.1-101.5000112.2L205 I234 D236 D240 I241L205-F238 HydrophobicContact CD2-CD2 3.86Å; L205-F238 HydrophobicContact CD2-CE2 4.28Å; I234-F238 HydrophobicContact CG2-CB 4.07Å; I234-F238 WeakPolarHBondContact O-CB 3.32Å; I234-F238 PolarHBondContact O-N 2.96Å; D236-F238 VanDerWaalsContact C-N 3.27Å; D236-F238 PolarHBondContact O-N 2.69Å; F238-D240 VanDerWaalsContact C-N 3.27Å; F238-D240 PolarHBondContact O-N 3.36Å; F238-I241 WeakPolarHBondContact O-CB 3.37Å; F238-I241 PolarHBondContact O-N 3.11Å
239L90.1Very high88Confident25 Ų2531.6 Ų31.613%0.13118%0.179CC..Hα-helixtrans-63.5-35.7177.1-69.1173.6000111.3L139 T235 D236 I241 Y242 F243L139-L239 HydrophobicContact CD1-CD2 4.18Å; T235-L239 HydrophobicContact CG2-CD1 3.89Å; T235-L239 WeakPolarHBondContact O-CB 3.45Å; T235-L239 VanDerWaalsContact O-CG 3.23Å; T235-L239 WeakPolarHBondContact O-CG 3.39Å; T235-L239 PolarHBondContact O-N 2.86Å; D236-L239 PolarHBondContact O-N 3.42Å; L239-I241 PolarHBondContact O-N 3.5Å; L239-Y242 PolarHBondContact O-N 3.48Å; L239-F243 HydrophobicContact CB-CD2 4.25Å; L239-F243 HydrophobicContact CD2-CE2 4.38Å; L239-F243 WeakPolarHBondContact O-CD2 3.27Å; L239-F243 PolarHBondContact O-N 3.32Å
240D88.7Confident87.7Confident13 Ų1335.7 Ų35.77%0.0720%0.198CC..Hα-helixtrans-64.3-21.3179.7-75.9-9.6000113.6R142 H149 R195 K197 D236 P237 F238 Y242 S244R142-D240 IonicContact CZ-OD1 3.36Å; R142-D240 VanDerWaalsContact CZ-OD1 3.25Å; R142-D240 IonicContact NE-OD1 3.43Å; R142-D240 PolarHBondContact NE-OD1 3.41Å; R142-D240 IonicContact NH2-OD1 3.8Å; R142-D240 PolarHBondContact NH2-OD1 3.5Å; R142-D240 IonicContact NH2-OD2 3.29Å; H149-D240 IonicContact CE1-OD1 3.13Å; H149-D240 PolarHBondContact CE1-OD1 3.34Å; H149-D240 VanDerWaalsContact CE1-OD1 3.32Å; H149-D240 IonicContact ND1-OD1 2.67Å; H149-D240 IonicContact ND1-OD2 3.6Å; R195-D240 IonicContact NH1-OD2 2.82Å; K197-D240 WeakPolarHBondContact CE-O 3.36Å; K197-D240 PolarHBondContact NZ-O 3.47Å; D236-D240 WeakPolarHBondContact O-CB 3.47Å; D236-D240 VanDerWaalsContact O-CG 3.22Å; D236-D240 PolarHBondContact O-N 3.2Å; P237-D240 PolarHBondContact O-N 3.01Å; F238-D240 VanDerWaalsContact C-N 3.27Å; F238-D240 PolarHBondContact O-N 3.36Å; D240-Y242 PolarHBondContact O-N 3.29Å; D240-S244 WeakPolarHBondContact O-CB 3.41Å; D240-S244 PolarHBondContact O-N 3.32Å
241I86.6Confident87.7Confident38 Ų3835.6 Ų35.620%0.19520%0.197CC..Hα-helixtrans-52.8-43.8170-64.6173000109.7R6 L194 K197 I202 P237 F238 L239R6-I241 PolarHBondContact NH2-O 3.24Å; L194-I241 HydrophobicContact CD2-CD1 3.67Å; K197-I241 HydrophobicContact CG-CG1 4.32Å; K197-I241 PolarHBondContact NZ-O 2.9Å; I202-I241 HydrophobicContact CG1-CD1 4.27Å; P237-I241 PolarHBondContact O-N 2.93Å; F238-I241 WeakPolarHBondContact O-CB 3.37Å; F238-I241 PolarHBondContact O-N 3.11Å; L239-I241 PolarHBondContact O-N 3.5Å
242Y83.8Confident87.6Confident78 Ų7833.3 Ų33.331%0.30619%0.185SC..Hα-helixtrans-93.1-34.6-178.9-173.1-93.5000114.9R6 F9 L239 D240R6-Y242 WeakPolarHBondContact CA-OH 3.33Å; R6-Y242 HydrophobicContact CB-CE2 4.14Å; R6-Y242 HydrophobicContact CG-CD2 4.38Å; R6-Y242 HydrophobicContact CG-CE1 4.45Å; R6-Y242 HydrophobicContact CG-CE2 3.69Å; R6-Y242 PolarHBondContact NE-O 3.09Å; R6-Y242 PolarHBondContact NH2-O 2.94Å; F9-Y242 HydrophobicContact CD1-CE1 4.45Å; L239-Y242 PolarHBondContact O-N 3.48Å; D240-Y242 PolarHBondContact O-N 3.29Å
243F82.8Confident87.5Confident48 Ų4837.1 Ų37.121%0.21120%0.199CC..Hα-helixtrans-92.8-28.1-175.6-71.1-79000114.1L139 R142 I143 L239 G245L139-F243 HydrophobicContact CD1-CE2 4.16Å; L139-F243 HydrophobicContact CD1-CZ 4.28Å; R142-F243 HydrophobicContact CB-CB 4.02Å; R142-F243 HydrophobicContact CB-CD1 3.89Å; R142-F243 HydrophobicContact CB-CD2 3.96Å; R142-F243 HydrophobicContact CB-CE1 4.33Å; R142-F243 HydrophobicContact CB-CE2 4.39Å; R142-F243 HydrophobicContact CB-CG 3.68Å; R142-F243 HydrophobicContact CG-CB 4.12Å; R142-F243 HydrophobicContact CG-CD2 4.4Å; R142-F243 HydrophobicContact CG-CG 4.23Å; I143-F243 HydrophobicContact CG1-CE1 4.12Å; I143-F243 HydrophobicContact CG1-CZ 4.06Å; L239-F243 HydrophobicContact CB-CD2 4.25Å; L239-F243 HydrophobicContact CD2-CE2 4.38Å; L239-F243 WeakPolarHBondContact O-CD2 3.27Å; L239-F243 PolarHBondContact O-N 3.32Å; F243-G245 PolarHBondContact O-N 3.45Å
244S83.1Confident87.4Confident8 Ų838.8 Ų38.86%0.05621%0.21CC..  trans-70.2123.4-178.6172.40000111.7R6 K197 D240 L246R6-S244 PolarHBondContact NH2-O 3.49Å; K197-S244 PolarHBondContact NZ-O 3.24Å; D240-S244 WeakPolarHBondContact O-CB 3.41Å; D240-S244 PolarHBondContact O-N 3.32Å; S244-L246 PolarHBondContact OG-N 3.01Å
245G80.1Confident87.1Confident75 Ų7539.9 Ų39.977%0.77322%0.215SC*.  trans-89.13.9174.900000114.8F243F243-G245 PolarHBondContact O-N 3.45Å
246L83.6Confident86.9Confident37 Ų3739.4 Ų39.419%0.19421%0.212CC..  trans-59.7138.9-178.7-66.8176.8000111.4H149 S244 E250 R251H149-L246 HydrophobicContact CB-CD1 3.89Å; H149-L246 HydrophobicContact CB-CD2 4.28Å; H149-L246 HydrophobicContact CB-CG 3.9Å; S244-L246 PolarHBondContact OG-N 3.01Å; L246-E250 WeakPolarHBondContact CA-OE2 3.4Å; L246-E250 HydrophobicContact CB-CB 4.35Å; L246-E250 HydrophobicContact CD2-CB 4.39Å; L246-R251 HydrophobicContact CB-CG 3.72Å; L246-R251 HydrophobicContact CD1-CG 4.24Å
247S83.7Confident86.7Confident45 Ų4542.4 Ų42.432%0.31522%0.221SC..  trans-65165.5173.986.20000111.1T249 E250 R251S247-T249 VanDerWaalsContact C-N 3.31Å; S247-T249 PolarHBondContact O-N 2.95Å; S247-T249 PolarHBondContact OG-N 3.47Å; S247-T249 PolarHBondContact OG-OG1 2.73Å; S247-E250 PolarHBondContact N-OE2 2.91Å; S247-E250 PolarHBondContact O-N 3.37Å; S247-E250 WeakPolarHBondContact OG-CB 3.37Å; S247-E250 VanDerWaalsContact OG-CG 3.26Å; S247-E250 WeakPolarHBondContact OG-CG 3.34Å; S247-E250 PolarHBondContact OG-N 3.13Å; S247-R251 WeakPolarHBondContact O-CG 3.06Å; S247-R251 PolarHBondContact O-N 3.07Å; S247-R251 PolarHBondContact O-NE 3.2Å
248V85.6Confident86.4Confident21 Ų2148.2 Ų48.213%0.12724%0.243CC..Hα-helixtrans-56.5-49.4173.7173.30000110.1E250 R251 W252 E402 L403 C406V248-E250 VanDerWaalsContact C-N 3.32Å; V248-E250 PolarHBondContact O-N 3.1Å; V248-R251 PolarHBondContact O-N 2.97Å; V248-W252 PolarHBondContact O-N 3.23Å; V248-E402 HydrophobicContact CG1-CB 3.58Å; V248-E402 HydrophobicContact CG2-CB 4.07Å; V248-L403 HydrophobicContact CG1-CD2 4.19Å; V248-C406 HydrophobicContact CB-CB 4.14Å; V248-C406 HydrophobicContact CG1-CB 4.41Å; V248-C406 HydrophobicContact CG2-CB 4.04Å
249T83.8Confident86Confident14 Ų1445.7 Ų45.79%0.08625%0.245CC..Hα-helixtrans-71.7-29.7-173.4520000112S247 K253 D341 L403S247-T249 VanDerWaalsContact C-N 3.31Å; S247-T249 PolarHBondContact O-N 2.95Å; S247-T249 PolarHBondContact OG-N 3.47Å; S247-T249 PolarHBondContact OG-OG1 2.73Å; T249-K253 PolarHBondContact O-N 3.36Å; T249-D341 WeakPolarHBondContact CB-OD1 3.44Å; T249-D341 WeakPolarHBondContact CB-OD2 3.3Å; T249-D341 WeakPolarHBondContact CG2-OD1 3.45Å; T249-D341 WeakPolarHBondContact CG2-OD2 3.44Å; T249-D341 PolarHBondContact OG1-OD1 3.1Å; T249-D341 PolarHBondContact OG1-OD2 3.4Å; T249-L403 HydrophobicContact CG2-CD2 4.14Å
250E86.3Confident85.9Confident90 Ų9050.4 Ų50.442%0.42126%0.261SS..Hα-helixtrans-66.8-47.1169.6-73.8172.2166.100112.3P151 L246 S247 V248 W252 K253P151-E250 WeakPolarHBondContact CB-O 3.47Å; L246-E250 WeakPolarHBondContact CA-OE2 3.4Å; L246-E250 HydrophobicContact CB-CB 4.35Å; L246-E250 HydrophobicContact CD2-CB 4.39Å; S247-E250 PolarHBondContact N-OE2 2.91Å; S247-E250 PolarHBondContact O-N 3.37Å; S247-E250 WeakPolarHBondContact OG-CB 3.37Å; S247-E250 VanDerWaalsContact OG-CG 3.26Å; S247-E250 WeakPolarHBondContact OG-CG 3.34Å; S247-E250 PolarHBondContact OG-N 3.13Å; V248-E250 VanDerWaalsContact C-N 3.32Å; V248-E250 PolarHBondContact O-N 3.1Å; E250-W252 PolarHBondContact O-N 2.93Å; E250-K253 WeakPolarHBondContact O-CB 3.47Å; E250-K253 PolarHBondContact O-N 3.24Å; E250-K253 VanDerWaalsContact O-N 3.15Å
251R90.1Very high85.8Confident21 Ų2155.9 Ų55.98%0.07929%0.289CS..Hα-helixtrans-60-46.3178.5-74.3-178.9-70.7151.2-0.5111.8M196 K197 L246 S247 V248 K253 P254 E402M196-R251 PolarHBondContact O-NH1 3.04Å; M196-R251 HydrophobicContact SD-CB 4.49Å; K197-R251 VanDerWaalsContact CD-NH1 3.34Å; L246-R251 HydrophobicContact CB-CG 3.72Å; L246-R251 HydrophobicContact CD1-CG 4.24Å; S247-R251 WeakPolarHBondContact O-CG 3.06Å; S247-R251 PolarHBondContact O-N 3.07Å; S247-R251 PolarHBondContact O-NE 3.2Å; V248-R251 PolarHBondContact O-N 2.97Å; R251-K253 PolarHBondContact O-N 2.84Å; R251-P254 VanDerWaalsContact O-CD 3.22Å; R251-P254 WeakPolarHBondContact O-CD 3.38Å; R251-E402 IonicContact CZ-OE1 3.77Å; R251-E402 VanDerWaalsContact CZ-OE1 3.26Å; R251-E402 IonicContact CZ-OE2 3.95Å; R251-E402 IonicContact NH1-OE1 3.95Å; R251-E402 PolarHBondContact NH1-OE1 3.04Å; R251-E402 IonicContact NH1-OE2 3.55Å; R251-E402 VanDerWaalsContact NH2-CD 3.31Å; R251-E402 IonicContact NH2-OE1 2.9Å; R251-E402 PolarHBondContact NH2-OE1 3.19Å; R251-E402 IonicContact NH2-OE2 3.91Å; R251-E402 PolarHBondContact NH2-OE2 3.49Å
252W90.4Very high85.9Confident10 Ų1056.5 Ų56.54%0.03830%0.296CS..THydrogen-bonded Turntrans-79.7-0.9179.3-70.2101.9000113.9M196 V248 E250 F255 L256 M395 L399 E402M196-W252 HydrophobicContact CB-CH2 3.95Å; M196-W252 HydrophobicContact CB-CZ2 3.62Å; M196-W252 HydrophobicContact CG-CD2 4.35Å; M196-W252 HydrophobicContact CG-CE3 4.24Å; M196-W252 HydrophobicContact CG-CH2 3.78Å; M196-W252 HydrophobicContact CG-CZ2 3.88Å; M196-W252 HydrophobicContact CG-CZ3 3.97Å; M196-W252 HydrophobicContact SD-CD2 3.75Å; M196-W252 HydrophobicContact SD-CE3 3.79Å; M196-W252 HydrophobicContact SD-CG 4.27Å; M196-W252 HydrophobicContact SD-CH2 4.39Å; M196-W252 HydrophobicContact SD-CZ2 4.35Å; M196-W252 HydrophobicContact SD-CZ3 4.13Å; V248-W252 PolarHBondContact O-N 3.23Å; E250-W252 PolarHBondContact O-N 2.93Å; W252-F255 HydrophobicContact CE3-CB 4.21Å; W252-F255 HydrophobicContact CE3-CD1 4.29Å; W252-F255 HydrophobicContact CE3-CG 4.45Å; W252-F255 WeakPolarHBondContact O-CA 3.31Å; W252-F255 WeakPolarHBondContact O-CB 3.48Å; W252-F255 PolarHBondContact O-N 3.35Å; W252-L256 HydrophobicContact CB-CD1 3.85Å; W252-L256 HydrophobicContact CB-CG 4.01Å; W252-L256 WeakPolarHBondContact O-CG 3.47Å; W252-L256 PolarHBondContact O-N 3.45Å; W252-M395 HydrophobicContact CH2-CB 4.2Å; W252-M395 VanDerWaalsContact CH2-O 3.3Å; W252-M395 WeakPolarHBondContact CH2-O 3.48Å; W252-L399 HydrophobicContact CB-CD1 4.42Å; W252-L399 HydrophobicContact CD2-CD1 3.53Å; W252-L399 HydrophobicContact CE3-CD1 3.64Å; W252-L399 HydrophobicContact CG-CD1 3.89Å; W252-L399 HydrophobicContact CH2-CB 3.78Å; W252-L399 HydrophobicContact CH2-CD1 4.39Å; W252-L399 HydrophobicContact CZ2-CB 3.82Å; W252-L399 HydrophobicContact CZ2-CD1 4.31Å; W252-L399 HydrophobicContact CZ3-CB 4.14Å; W252-L399 HydrophobicContact CZ3-CD1 4.07Å; W252-E402 PolarHBondContact NE1-OE2 3.38Å
253K88.8Confident86Confident101 Ų10153.1 Ų53.144%0.43928%0.283SS..Hα-helixtrans-49.5-45.2-179.4-172.7-179.8-176.3174.50113.9P151 T249 E250 R251 F255 L256 Y257P151-K253 HydrophobicContact CB-CB 4.33Å; P151-K253 HydrophobicContact CG-CD 4.26Å; T249-K253 PolarHBondContact O-N 3.36Å; E250-K253 WeakPolarHBondContact O-CB 3.47Å; E250-K253 PolarHBondContact O-N 3.24Å; E250-K253 VanDerWaalsContact O-N 3.15Å; R251-K253 PolarHBondContact O-N 2.84Å; K253-F255 PolarHBondContact O-N 3.49Å; K253-L256 PolarHBondContact O-N 3.4Å; K253-Y257 HydrophobicContact CB-CD2 4.35Å; K253-Y257 HydrophobicContact CG-CD2 3.56Å; K253-Y257 HydrophobicContact CG-CE2 3.89Å; K253-Y257 HydrophobicContact CG-CG 4.36Å; K253-Y257 WeakPolarHBondContact O-CB 3.39Å; K253-Y257 WeakPolarHBondContact O-CD2 3.4Å; K253-Y257 PolarHBondContact O-N 3.33Å
254P88.1Confident86.3Confident40 Ų4054.7 Ų54.726%0.2629%0.288SS..Hα-helixtrans-61.6-28.4179.7-22.835.9000113.2P151 L153 R251P151-P254 HydrophobicContact CB-CG 4.35Å; P151-P254 VanDerWaalsContact O-CG 3.31Å; P151-P254 WeakPolarHBondContact O-CG 3.44Å; L153-P254 HydrophobicContact CD2-CB 4.39Å; L153-P254 HydrophobicContact CG-CB 4.05Å; R251-P254 VanDerWaalsContact O-CD 3.22Å; R251-P254 WeakPolarHBondContact O-CD 3.38Å
255F87.6Confident86.7Confident35 Ų3558.5 Ų58.515%0.15431%0.307CS..Hα-helixtrans-86.7-48.8177.7-174.7-106000111.7W252 K253 Y257 R258 F319 H320 L399W252-F255 HydrophobicContact CE3-CB 4.21Å; W252-F255 HydrophobicContact CE3-CD1 4.29Å; W252-F255 HydrophobicContact CE3-CG 4.45Å; W252-F255 WeakPolarHBondContact O-CA 3.31Å; W252-F255 WeakPolarHBondContact O-CB 3.48Å; W252-F255 PolarHBondContact O-N 3.35Å; K253-F255 PolarHBondContact O-N 3.49Å; F255-Y257 PolarHBondContact O-N 3.5Å; F255-R258 WeakPolarHBondContact O-CB 3.33Å; F255-R258 PolarHBondContact O-N 3.49Å; F255-F319 HydrophobicContact CE1-CE1 4.37Å; F255-H320 AromaticContact CE1-CE1 3.7Å; F255-H320 AromaticContact CZ-CE1 3.42Å; F255-H320 VanDerWaalsContact CZ-CE1 3.42Å; F255-H320 WeakPolarHBondContact CZ-CE1 3.49Å; F255-H320 AromaticContact CZ-NE2 3.75Å; F255-L399 HydrophobicContact CD1-CD2 4.19Å; F255-L399 HydrophobicContact CE1-CD2 3.66Å
256L88.3Confident87.1Confident1 Ų157.2 Ų57.21%0.00529%0.286CS..Hα-helixtrans-63.5-39.9-176.4-67.8175.4000112.6W252 K253 R263 F319 L323 H327 M344 L403W252-L256 HydrophobicContact CB-CD1 3.85Å; W252-L256 HydrophobicContact CB-CG 4.01Å; W252-L256 WeakPolarHBondContact O-CG 3.47Å; W252-L256 PolarHBondContact O-N 3.45Å; K253-L256 PolarHBondContact O-N 3.4Å; L256-R263 PolarHBondContact O-NH1 2.9Å; L256-F319 HydrophobicContact CD2-CZ 4.16Å; L256-L323 HydrophobicContact CD2-CD1 4.28Å; L256-L323 HydrophobicContact CD2-CD2 3.91Å; L256-H327 PolarHBondContact O-NE2 3.46Å; L256-M344 HydrophobicContact CD2-CE 4.49Å; L256-L403 HydrophobicContact CD2-CD1 4.38Å
257Y85.6Confident87.5Confident92 Ų9256 Ų5636%0.36128%0.28SS..THydrogen-bonded Turntrans-87.8-1.3-178-75.6-97.6000114.1K253 F255 Y330 L340K253-Y257 HydrophobicContact CB-CD2 4.35Å; K253-Y257 HydrophobicContact CG-CD2 3.56Å; K253-Y257 HydrophobicContact CG-CE2 3.89Å; K253-Y257 HydrophobicContact CG-CG 4.36Å; K253-Y257 WeakPolarHBondContact O-CB 3.39Å; K253-Y257 WeakPolarHBondContact O-CD2 3.4Å; K253-Y257 PolarHBondContact O-N 3.33Å; F255-Y257 PolarHBondContact O-N 3.5Å; Y257-Y330 HydrophobicContact CE1-CE1 4.13Å; Y257-L340 HydrophobicContact CD2-CD2 4.28Å; Y257-L340 HydrophobicContact CE1-CD2 4.29Å; Y257-L340 HydrophobicContact CE2-CD2 3.66Å; Y257-L340 WeakPolarHBondContact OH-CB 3.36Å
258R85Confident87.9Confident122 Ų12257.7 Ų57.746%0.4629%0.288SS..SBendtrans-67.4145.4-179.5-152.9173.4179.5174.1-1.6111F255 C262 R263F255-R258 WeakPolarHBondContact O-CB 3.33Å; F255-R258 PolarHBondContact O-N 3.49Å; R258-C262 HydrophobicContact CG-CB 3.67Å; R258-R263 HydrophobicContact CB-CG 4.09Å; R258-R263 WeakPolarHBondContact O-CD 3.46Å; R258-R263 PolarHBondContact O-NH1 3.24Å
259G84.8Confident88.3Confident45 Ų4563.3 Ų63.346%0.46431%0.311SS..  trans-57.7154.4-177.300000114.3I261 C262 R263G259-I261 VanDerWaalsContact C-N 3.28Å; G259-I261 PolarHBondContact O-N 3.42Å; G259-C262 PolarHBondContact O-N 3.01Å; G259-C262 VanDerWaalsContact O-N 3.15Å; G259-R263 PolarHBondContact O-N 3.46Å
260R87.6Confident88.7Confident124 Ų12463 Ų6347%0.46831%0.31SS..Hα-helixtrans-50-45.4-177.8-178-176.1179.7-168.11.7113.2R264R260-R264 WeakPolarHBondContact O-CG 3.3Å; R260-R264 PolarHBondContact O-N 3.45Å; R260-R264 VanDerWaalsContact O-N 3.09Å
261I87.3Confident89.1Confident128 Ų12859.4 Ų59.466%0.65630%0.297SS*.Hα-helixtrans-65.9-48.5-177.6-64.4163.7000110.3G259 R263 R264 L265G259-I261 VanDerWaalsContact C-N 3.28Å; G259-I261 PolarHBondContact O-N 3.42Å; I261-R263 VanDerWaalsContact C-N 3.32Å; I261-R263 PolarHBondContact O-N 2.99Å; I261-R264 PolarHBondContact O-N 3.47Å; I261-L265 HydrophobicContact CG2-CD1 3.87Å; I261-L265 HydrophobicContact CG2-CG 4.32Å; I261-L265 WeakPolarHBondContact O-CG 3.41Å; I261-L265 PolarHBondContact O-N 3.18Å
262C87Confident89.3Confident52 Ų5263.4 Ų63.435%0.35132%0.318SS..Hα-helixtrans-58.6-42.5178.4-74.10000112.5R258 G259 L265 S266R258-C262 HydrophobicContact CG-CB 3.67Å; G259-C262 PolarHBondContact O-N 3.01Å; G259-C262 VanDerWaalsContact O-N 3.15Å; C262-L265 PolarHBondContact O-N 3.3Å; C262-S266 PolarHBondContact O-N 3.26Å
263R87.6Confident89.6Confident6 Ų665.2 Ų65.22%0.02333%0.328CS..Hα-helixtrans-65.1-43.4177.5-67.3-169.9-55.3-120.4-3111.9L256 R258 G259 I261 S266 V267 H320 N324 H327L256-R263 PolarHBondContact O-NH1 2.9Å; R258-R263 HydrophobicContact CB-CG 4.09Å; R258-R263 WeakPolarHBondContact O-CD 3.46Å; R258-R263 PolarHBondContact O-NH1 3.24Å; G259-R263 PolarHBondContact O-N 3.46Å; I261-R263 VanDerWaalsContact C-N 3.32Å; I261-R263 PolarHBondContact O-N 2.99Å; R263-S266 VanDerWaalsContact O-CB 3.27Å; R263-S266 WeakPolarHBondContact O-CB 3.12Å; R263-S266 PolarHBondContact O-N 3.09Å; R263-V267 PolarHBondContact O-N 3.08Å; R263-H320 PolarHBondContact O-CD2 3.19Å; R263-H320 PolarHBondContact O-NE2 3.4Å; R263-N324 PolarHBondContact NH2-OD1 3.02Å; R263-H327 PolarHBondContact NH1-CD2 3.23Å; R263-H327 PolarHBondContact NH1-NE2 3.42Å
264R88.9Confident89.8Confident82 Ų8260.6 Ų60.631%0.30931%0.308SS..Hα-helixtrans-63.1-43.7175.9-75.9-176.8171.7-164.8-8112.4R260 I261 S266 V267 V268 W317R260-R264 WeakPolarHBondContact O-CG 3.3Å; R260-R264 PolarHBondContact O-N 3.45Å; R260-R264 VanDerWaalsContact O-N 3.09Å; I261-R264 PolarHBondContact O-N 3.47Å; R264-S266 VanDerWaalsContact C-N 3.26Å; R264-S266 PolarHBondContact O-N 3.2Å; R264-V267 PolarHBondContact O-N 2.76Å; R264-V268 PolarHBondContact O-N 2.75Å; R264-W317 HydrophobicContact CB-CH2 4.29Å; R264-W317 HydrophobicContact CB-CZ3 4.08Å; R264-W317 HydrophobicContact CG-CH2 3.92Å; R264-W317 HydrophobicContact CG-CZ3 3.94Å
265L90.2Very high90.2Very high88 Ų8862.2 Ų62.246%0.46131%0.314SS..Hα-helixtrans-59.9-39.5174.3-71.7173.2000111I261 C262 V267 V268 F269I261-L265 HydrophobicContact CG2-CD1 3.87Å; I261-L265 HydrophobicContact CG2-CG 4.32Å; I261-L265 WeakPolarHBondContact O-CG 3.41Å; I261-L265 PolarHBondContact O-N 3.18Å; C262-L265 PolarHBondContact O-N 3.3Å; L265-V267 VanDerWaalsContact C-N 3.29Å; L265-V267 PolarHBondContact O-N 3.4Å; L265-V268 PolarHBondContact O-N 2.51Å; L265-V268 VanDerWaalsContact O-N 3.13Å; L265-F269 HydrophobicContact CB-CD2 4.42Å; L265-F269 VanDerWaalsContact O-CD2 3.26Å; L265-F269 WeakPolarHBondContact O-CD2 3.5Å; L265-F269 PolarHBondContact O-N 2.97Å
266S89.6Confident90.6Very high48 Ų4863.4 Ų63.434%0.33632%0.324SS..Hα-helixtrans-56.8-40.5176.2-164.10000112.9C262 R263 R264 A270C262-S266 PolarHBondContact O-N 3.26Å; R263-S266 VanDerWaalsContact O-CB 3.27Å; R263-S266 WeakPolarHBondContact O-CB 3.12Å; R263-S266 PolarHBondContact O-N 3.09Å; R264-S266 VanDerWaalsContact C-N 3.26Å; R264-S266 PolarHBondContact O-N 3.2Å; S266-A270 WeakPolarHBondContact O-CB 3.36Å; S266-A270 PolarHBondContact O-N 3.36Å
267V91.7Very high90.9Very high10 Ų1063.3 Ų63.36%0.06132%0.324CS..Hα-helixtrans-68.3-40.8177.2179.60000111R263 R264 L265 A270 G271 L313 L316 W317 H320R263-V267 PolarHBondContact O-N 3.08Å; R264-V267 PolarHBondContact O-N 2.76Å; L265-V267 VanDerWaalsContact C-N 3.29Å; L265-V267 PolarHBondContact O-N 3.4Å; V267-A270 PolarHBondContact O-N 3.38Å; V267-G271 PolarHBondContact O-N 2.93Å; V267-L313 HydrophobicContact CG1-CD2 4.17Å; V267-L316 HydrophobicContact CG1-CB 4.26Å; V267-L316 HydrophobicContact CG2-CB 4.11Å; V267-W317 HydrophobicContact CB-CE3 4.49Å; V267-W317 HydrophobicContact CG1-CE3 4.33Å; V267-H320 VanDerWaalsContact CG2-CD2 3.43Å; V267-H320 WeakPolarHBondContact CG2-CD2 3.15Å
268V92.8Very high91.4Very high81 Ų8160.9 Ų60.949%0.49132%0.315SS..Hα-helixtrans-62.9-45.8175.9176.70000110.7R264 L265 A270 G271 M272R264-V268 PolarHBondContact O-N 2.75Å; L265-V268 PolarHBondContact O-N 2.51Å; L265-V268 VanDerWaalsContact O-N 3.13Å; V268-A270 PolarHBondContact O-N 3.4Å; V268-G271 PolarHBondContact O-N 3.31Å; V268-M272 WeakPolarHBondContact O-CG 3.02Å; V268-M272 PolarHBondContact O-N 3.29Å
269F92.6Very high91.9Very high140 Ų14059 Ų5961%0.61431%0.313SS*.Hα-helixtrans-61.6-41.8176.1-87.3-75.2000112.3L265 M272 I273L265-F269 HydrophobicContact CB-CD2 4.42Å; L265-F269 VanDerWaalsContact O-CD2 3.26Å; L265-F269 WeakPolarHBondContact O-CD2 3.5Å; L265-F269 PolarHBondContact O-N 2.97Å; F269-M272 PolarHBondContact O-N 3.45Å; F269-I273 WeakPolarHBondContact O-CG1 3.5Å; F269-I273 PolarHBondContact O-N 3.12Å; F269-I273 VanDerWaalsContact O-N 3.08Å
270A92.9Very high92.3Very high8 Ų857.8 Ų57.87%0.06630%0.296CS..Hα-helixtrans-58.2-48.3174.100000111.6S266 V267 V268 M272 I273 E274 L392S266-A270 WeakPolarHBondContact O-CB 3.36Å; S266-A270 PolarHBondContact O-N 3.36Å; V267-A270 PolarHBondContact O-N 3.38Å; V268-A270 PolarHBondContact O-N 3.4Å; A270-M272 VanDerWaalsContact C-N 3.31Å; A270-M272 PolarHBondContact O-N 3.27Å; A270-I273 PolarHBondContact O-N 2.84Å; A270-I273 VanDerWaalsContact O-N 3.15Å; A270-E274 WeakPolarHBondContact O-CG 3.28Å; A270-E274 PolarHBondContact O-N 2.82Å; A270-L392 HydrophobicContact CB-CD1 4.46Å; A270-L392 HydrophobicContact CB-CD2 4.01Å
271G94.1Very high92.5Very high14 Ų1451.9 Ų51.914%0.14427%0.274CS..Hα-helixtrans-62-34.6176.900000113.9V267 V268 L275V267-G271 PolarHBondContact O-N 2.93Å; V268-G271 PolarHBondContact O-N 3.31Å; G271-L275 VanDerWaalsContact O-CB 3.29Å; G271-L275 WeakPolarHBondContact O-CB 3.5Å; G271-L275 PolarHBondContact O-N 2.78Å
272M95.4Very high92.7Very high105 Ų10547 Ų4752%0.51725%0.253SS..Hα-helixtrans-67.5-38.4174.7-69-58.6-61.700112.5V268 F269 A270 T276V268-M272 WeakPolarHBondContact O-CG 3.02Å; V268-M272 PolarHBondContact O-N 3.29Å; F269-M272 PolarHBondContact O-N 3.45Å; A270-M272 VanDerWaalsContact C-N 3.31Å; A270-M272 PolarHBondContact O-N 3.27Å; M272-T276 WeakPolarHBondContact O-CB 3.08Å; M272-T276 PolarHBondContact O-N 3.48Å; M272-T276 PolarHBondContact O-OG1 3.13Å
273I95.1Very high92.9Very high48 Ų4850.5 Ų50.525%0.24626%0.262CS..Hα-helixtrans-65.4-46.7176.4-69170.4000109.9F269 A270 T276 F277 M385 I388 V389 L392F269-I273 WeakPolarHBondContact O-CG1 3.5Å; F269-I273 PolarHBondContact O-N 3.12Å; F269-I273 VanDerWaalsContact O-N 3.08Å; A270-I273 PolarHBondContact O-N 2.84Å; A270-I273 VanDerWaalsContact O-N 3.15Å; I273-T276 WeakPolarHBondContact O-CB 3.26Å; I273-T276 PolarHBondContact O-N 3.28Å; I273-F277 PolarHBondContact O-N 3.14Å; I273-M385 HydrophobicContact CG2-CE 3.71Å; I273-M385 VanDerWaalsContact O-CE 3.31Å; I273-M385 WeakPolarHBondContact O-CE 3.31Å; I273-I388 HydrophobicContact CG2-CG2 3.76Å; I273-V389 HydrophobicContact CG2-CG2 3.93Å; I273-L392 HydrophobicContact CG2-CD2 4.43Å
274E94.9Very high92.8Very high3 Ų352 Ų521%0.01427%0.269CS..Hα-helixtrans-60.8-45.6176.6-72.3174.9179.200112.1A270 T276 F277 F278 W305 H309 F312 V389A270-E274 WeakPolarHBondContact O-CG 3.28Å; A270-E274 PolarHBondContact O-N 2.82Å; E274-T276 VanDerWaalsContact C-N 3.29Å; E274-T276 PolarHBondContact O-N 3.39Å; E274-F277 WeakPolarHBondContact O-CB 3.14Å; E274-F277 PolarHBondContact O-N 3.23Å; E274-F278 PolarHBondContact O-N 3.01Å; E274-W305 HydrophobicContact CB-CH2 3.94Å; E274-W305 HydrophobicContact CB-CZ2 4.09Å; E274-W305 WeakPolarHBondContact O-CH2 3.19Å; E274-H309 VanDerWaalsContact CD-CD2 3.5Å; E274-H309 IonicContact OE1-CD2 2.78Å; E274-H309 IonicContact OE2-CD2 3.28Å; E274-H309 PolarHBondContact OE2-CD2 3.49Å; E274-F312 VanDerWaalsContact OE1-CD1 3.23Å; E274-F312 WeakPolarHBondContact OE1-CD1 3.4Å; E274-F312 WeakPolarHBondContact OE1-CE1 3.41Å; E274-V389 HydrophobicContact CG-CG1 4.48Å
275L95.4Very high92.6Very high74 Ų7451.3 Ų51.339%0.38727%0.271SS..Hα-helixtrans-60.6-40.9175.7-178.962.7000111.5G271 F277 F278 I279G271-L275 VanDerWaalsContact O-CB 3.29Å; G271-L275 WeakPolarHBondContact O-CB 3.5Å; G271-L275 PolarHBondContact O-N 2.78Å; L275-F277 VanDerWaalsContact C-N 3.34Å; L275-F278 WeakPolarHBondContact O-CB 3.3Å; L275-F278 PolarHBondContact O-N 3.07Å; L275-I279 HydrophobicContact CD1-CD1 4.39Å; L275-I279 HydrophobicContact CG-CD1 4.04Å; L275-I279 VanDerWaalsContact O-CG1 3.3Å; L275-I279 WeakPolarHBondContact O-CG1 3.47Å; L275-I279 PolarHBondContact O-N 3.3Å
276T95.3Very high92.3Very high60 Ų6057.8 Ų57.837%0.36829%0.289SS..Hα-helixtrans-62.2-43.8176.2-56.70000110.8M272 I273 E274 F278 I279 L280 M385M272-T276 WeakPolarHBondContact O-CB 3.08Å; M272-T276 PolarHBondContact O-N 3.48Å; M272-T276 PolarHBondContact O-OG1 3.13Å; I273-T276 WeakPolarHBondContact O-CB 3.26Å; I273-T276 PolarHBondContact O-N 3.28Å; E274-T276 VanDerWaalsContact C-N 3.29Å; E274-T276 PolarHBondContact O-N 3.39Å; T276-F278 VanDerWaalsContact C-N 3.34Å; T276-F278 PolarHBondContact O-N 2.94Å; T276-I279 PolarHBondContact O-N 2.89Å; T276-L280 HydrophobicContact CG2-CD1 4.15Å; T276-L280 VanDerWaalsContact O-CG 3.31Å; T276-L280 WeakPolarHBondContact O-CG 3.41Å; T276-L280 PolarHBondContact O-N 3.28Å; T276-M385 HydrophobicContact CG2-CE 3.96Å
277F95.8Very high91.7Very high0 Ų058.7 Ų58.70%029%0.29CS..Hα-helixtrans-60.1-42.3173.9169.2-104.8000112.1I273 E274 L275 L280 S281 W305 T367 L370 F382 M385 F386 V389I273-F277 PolarHBondContact O-N 3.14Å; E274-F277 WeakPolarHBondContact O-CB 3.14Å; E274-F277 PolarHBondContact O-N 3.23Å; L275-F277 VanDerWaalsContact C-N 3.34Å; F277-L280 PolarHBondContact O-N 2.93Å; F277-S281 WeakPolarHBondContact O-CB 3.38Å; F277-S281 PolarHBondContact O-N 2.76Å; F277-S281 PolarHBondContact O-OG 3.46Å; F277-W305 HydrophobicContact CD1-CZ2 4.13Å; F277-T367 HydrophobicContact CE1-CG2 4.02Å; F277-T367 HydrophobicContact CZ-CG2 4.32Å; F277-L370 HydrophobicContact CE1-CD2 4.12Å; F277-F382 HydrophobicContact CD2-CE2 4.47Å; F277-F382 HydrophobicContact CE2-CD2 4.5Å; F277-F382 AromaticContact CE2-CE2 3.83Å; F277-F382 HydrophobicContact CE2-CE2 3.83Å; F277-F382 HydrophobicContact CE2-CZ 4.24Å; F277-M385 HydrophobicContact CB-CE 4.45Å; F277-F386 HydrophobicContact CD2-CB 4.42Å; F277-F386 HydrophobicContact CE2-CB 3.91Å; F277-F386 AromaticContact CE2-CD2 3.74Å; F277-F386 HydrophobicContact CE2-CD2 3.74Å; F277-F386 HydrophobicContact CE2-CG 4.3Å; F277-F386 AromaticContact CZ-CD2 3.84Å; F277-F386 HydrophobicContact CZ-CD2 3.84Å; F277-V389 HydrophobicContact CB-CG2 3.81Å; F277-V389 HydrophobicContact CG-CG2 4.11Å
278F95.8Very high90.7Very high40 Ų4064 Ų6418%0.17532%0.323CS..Hα-helixtrans-62.2-44.5176.3-175.6-102.1000112.5E274 L275 T276 S281 A282 F298 W305 M306 L370E274-F278 PolarHBondContact O-N 3.01Å; L275-F278 WeakPolarHBondContact O-CB 3.3Å; L275-F278 PolarHBondContact O-N 3.07Å; T276-F278 VanDerWaalsContact C-N 3.34Å; T276-F278 PolarHBondContact O-N 2.94Å; F278-S281 WeakPolarHBondContact O-CB 3.48Å; F278-S281 PolarHBondContact O-N 3.49Å; F278-A282 PolarHBondContact O-N 3.23Å; F278-F298 HydrophobicContact CE2-CZ 4.1Å; F278-F298 HydrophobicContact CZ-CE1 4.42Å; F278-F298 HydrophobicContact CZ-CZ 4.13Å; F278-W305 HydrophobicContact CB-CE3 4.22Å; F278-W305 HydrophobicContact CB-CH2 3.78Å; F278-W305 HydrophobicContact CB-CZ2 4.48Å; F278-W305 HydrophobicContact CB-CZ3 3.61Å; F278-W305 HydrophobicContact CD2-CD2 4.02Å; F278-W305 AromaticContact CD2-CE3 3.34Å; F278-W305 HydrophobicContact CD2-CE3 3.34Å; F278-W305 HydrophobicContact CD2-CH2 4.44Å; F278-W305 AromaticContact CD2-CZ3 3.61Å; F278-W305 HydrophobicContact CD2-CZ3 3.61Å; F278-W305 AromaticContact CE2-CE3 3.95Å; F278-W305 HydrophobicContact CE2-CE3 3.95Å; F278-W305 HydrophobicContact CE2-CZ3 4.48Å; F278-W305 AromaticContact CG-CE3 3.99Å; F278-W305 HydrophobicContact CG-CE3 3.99Å; F278-W305 HydrophobicContact CG-CH2 4.4Å; F278-W305 AromaticContact CG-CZ3 3.74Å; F278-W305 HydrophobicContact CG-CZ3 3.74Å; F278-M306 HydrophobicContact CD1-SD 4.18Å; F278-M306 HydrophobicContact CD2-SD 4.3Å; F278-M306 HydrophobicContact CE1-CG 4.43Å; F278-M306 HydrophobicContact CE1-SD 4.09Å; F278-M306 HydrophobicContact CE2-CG 3.96Å; F278-M306 HydrophobicContact CE2-SD 4.22Å; F278-M306 HydrophobicContact CG-SD 4.28Å; F278-M306 HydrophobicContact CZ-CG 3.9Å; F278-M306 HydrophobicContact CZ-SD 4.12Å; F278-L370 HydrophobicContact CD2-CD2 3.87Å; F278-L370 HydrophobicContact CE2-CD2 4.34Å
279I94.6Very high89.8Confident82 Ų8267.9 Ų67.942%0.42134%0.335SS..Hα-helixtrans-61.9-45.3176.4-67.2165.2000110.7L275 T276 S281 A282 F283L275-I279 HydrophobicContact CD1-CD1 4.39Å; L275-I279 HydrophobicContact CG-CD1 4.04Å; L275-I279 VanDerWaalsContact O-CG1 3.3Å; L275-I279 WeakPolarHBondContact O-CG1 3.47Å; L275-I279 PolarHBondContact O-N 3.3Å; T276-I279 PolarHBondContact O-N 2.89Å; I279-S281 VanDerWaalsContact C-N 3.29Å; I279-S281 PolarHBondContact O-N 3.05Å; I279-A282 WeakPolarHBondContact O-CB 3.47Å; I279-A282 PolarHBondContact O-N 3.1Å; I279-A282 VanDerWaalsContact O-N 3.14Å; I279-F283 HydrophobicContact CG2-CE2 4.5Å; I279-F283 HydrophobicContact CG2-CZ 4.13Å; I279-F283 PolarHBondContact O-N 3.04Å
280L93.7Very high89Confident20 Ų2066 Ų6611%0.10533%0.331CS..Hα-helixtrans-63.7-36.3176.5-70.2170.5000112.1T276 F277 A282 F283 Q376 I381 F382 M385T276-L280 HydrophobicContact CG2-CD1 4.15Å; T276-L280 VanDerWaalsContact O-CG 3.31Å; T276-L280 WeakPolarHBondContact O-CG 3.41Å; T276-L280 PolarHBondContact O-N 3.28Å; F277-L280 PolarHBondContact O-N 2.93Å; L280-A282 VanDerWaalsContact C-N 3.3Å; L280-A282 PolarHBondContact O-N 3.15Å; L280-F283 HydrophobicContact CD2-CD2 3.97Å; L280-F283 HydrophobicContact CD2-CE2 3.93Å; L280-F283 PolarHBondContact O-N 3.41Å; L280-Q376 PolarHBondContact O-NE2 2.83Å; L280-I381 HydrophobicContact CD1-CG2 3.93Å; L280-I381 HydrophobicContact CD2-CG2 4.19Å; L280-F382 HydrophobicContact CB-CD2 4.25Å; L280-M385 HydrophobicContact CD1-CB 3.92Å; L280-M385 HydrophobicContact CD1-CG 3.51Å
281S92.6Very high88.4Confident0 Ų071.6 Ų71.60%035%0.351CS..Hα-helixtrans-64.1-36.6174.1-590000111.5F277 F278 I279 F283 K284 S374 F382F277-S281 WeakPolarHBondContact O-CB 3.38Å; F277-S281 PolarHBondContact O-N 2.76Å; F277-S281 PolarHBondContact O-OG 3.46Å; F278-S281 WeakPolarHBondContact O-CB 3.48Å; F278-S281 PolarHBondContact O-N 3.49Å; I279-S281 VanDerWaalsContact C-N 3.29Å; I279-S281 PolarHBondContact O-N 3.05Å; S281-F283 VanDerWaalsContact C-N 3.3Å; S281-F283 PolarHBondContact O-N 3.4Å; S281-K284 WeakPolarHBondContact O-CB 3.31Å; S281-K284 PolarHBondContact O-N 3.06Å; S281-S374 PolarHBondContact O-OG 3.46Å; S281-F382 WeakPolarHBondContact OG-CE2 3.09Å
282A91.6Very high87.8Confident27 Ų2778.8 Ų78.822%0.22338%0.375CS..Hα-helixtrans-68.1-26.817800000113F278 I279 L280 K284 L285 F298F278-A282 PolarHBondContact O-N 3.23Å; I279-A282 WeakPolarHBondContact O-CB 3.47Å; I279-A282 PolarHBondContact O-N 3.1Å; I279-A282 VanDerWaalsContact O-N 3.14Å; L280-A282 VanDerWaalsContact C-N 3.3Å; L280-A282 PolarHBondContact O-N 3.15Å; A282-K284 PolarHBondContact O-N 3.48Å; A282-K284 VanDerWaalsContact O-N 3.08Å; A282-L285 VanDerWaalsContact O-CB 3.24Å; A282-L285 WeakPolarHBondContact O-CB 3.43Å; A282-L285 WeakPolarHBondContact O-CG 3.4Å; A282-L285 PolarHBondContact O-N 3.15Å; A282-F298 VanDerWaalsContact CA-CZ 3.44Å; A282-F298 HydrophobicContact CB-CE1 4.04Å; A282-F298 HydrophobicContact CB-CE2 4.33Å; A282-F298 HydrophobicContact CB-CZ 3.57Å
283F90.1Very high87.1Confident125 Ų12581.7 Ų81.755%0.54839%0.385SS..G310 helixtrans-60.4-19.2174.8-68.5-31.6000113.5I279 L280 S281 L285 R286I279-F283 HydrophobicContact CG2-CE2 4.5Å; I279-F283 HydrophobicContact CG2-CZ 4.13Å; I279-F283 PolarHBondContact O-N 3.04Å; L280-F283 HydrophobicContact CD2-CD2 3.97Å; L280-F283 HydrophobicContact CD2-CE2 3.93Å; L280-F283 PolarHBondContact O-N 3.41Å; S281-F283 VanDerWaalsContact C-N 3.3Å; S281-F283 PolarHBondContact O-N 3.4Å; F283-L285 PolarHBondContact O-N 3.06Å; F283-R286 WeakPolarHBondContact O-CB 3.41Å; F283-R286 PolarHBondContact O-N 3.21Å; F283-R286 VanDerWaalsContact O-N 3.14Å
284K86.4Confident86.6Confident37 Ų3780.4 Ų80.416%0.16138%0.379CS..G310 helixtrans-60.2-25.6171.7-17355.6176170.10112.9S281 A282 R286 D287 V294 Q376S281-K284 WeakPolarHBondContact O-CB 3.31Å; S281-K284 PolarHBondContact O-N 3.06Å; A282-K284 PolarHBondContact O-N 3.48Å; A282-K284 VanDerWaalsContact O-N 3.08Å; K284-R286 PolarHBondContact O-N 3.47Å; K284-D287 HydrophobicContact CD-CB 4.42Å; K284-D287 IonicContact NZ-OD2 3.25Å; K284-D287 PolarHBondContact NZ-OD2 3.09Å; K284-D287 WeakPolarHBondContact O-CB 3.38Å; K284-D287 PolarHBondContact O-N 3.35Å; K284-D287 VanDerWaalsContact O-N 3.15Å; K284-V294 HydrophobicContact CG-CG1 4.05Å; K284-Q376 HydrophobicContact CD-CG 4.14Å
285L85.3Confident86.2Confident67 Ų6783.6 Ų83.635%0.35140%0.395SS..G310 helixtrans-64.1-17.5176.9-64.5170.3000113.7A282 F283 D287 V294 I295 F298A282-L285 VanDerWaalsContact O-CB 3.24Å; A282-L285 WeakPolarHBondContact O-CB 3.43Å; A282-L285 WeakPolarHBondContact O-CG 3.4Å; A282-L285 PolarHBondContact O-N 3.15Å; F283-L285 PolarHBondContact O-N 3.06Å; L285-D287 PolarHBondContact O-N 2.95Å; L285-V294 HydrophobicContact CD2-CG1 4.38Å; L285-I295 HydrophobicContact CD2-CB 4.3Å; L285-I295 HydrophobicContact CD2-CG1 3.9Å; L285-F298 HydrophobicContact CD1-CD1 3.72Å; L285-F298 HydrophobicContact CD1-CE1 3.91Å; L285-F298 HydrophobicContact CD1-CG 4.44Å; L285-F298 HydrophobicContact CD2-CB 3.92Å; L285-F298 HydrophobicContact CD2-CD1 4Å; L285-F298 HydrophobicContact CD2-CG 4.07Å; L285-F298 HydrophobicContact CG-CD1 4.06Å; L285-F298 HydrophobicContact CG-CG 4.28Å
286R82.7Confident85.8Confident225 Ų22583.1 Ų83.185%0.84940%0.397SS*.G310 helixtrans-72.9-17.8176.8-169.8176.2177.4-175.5-0.5112.6F283 K284 T288F283-R286 WeakPolarHBondContact O-CB 3.41Å; F283-R286 PolarHBondContact O-N 3.21Å; F283-R286 VanDerWaalsContact O-N 3.14Å; K284-R286 PolarHBondContact O-N 3.47Å; R286-T288 PolarHBondContact O-N 3.41Å
287D76.8Confident85.5Confident67 Ų6780.9 Ų80.936%0.35839%0.386SS..  trans-76.9107.1-177.9-168.1-5.8000110.9K284 L285 H289K284-D287 HydrophobicContact CD-CB 4.42Å; K284-D287 IonicContact NZ-OD2 3.25Å; K284-D287 PolarHBondContact NZ-OD2 3.09Å; K284-D287 WeakPolarHBondContact O-CB 3.38Å; K284-D287 PolarHBondContact O-N 3.35Å; K284-D287 VanDerWaalsContact O-N 3.15Å; L285-D287 PolarHBondContact O-N 2.95Å; D287-H289 VanDerWaalsContact C-N 3.31Å; D287-H289 PolarHBondContact O-N 3.01Å
288T70.2Confident85.2Confident120 Ų12081.8 Ų81.874%0.73639%0.39SS*.G310 helixtrans-77.9-12-171.247.60000113.8R286 L290R286-T288 PolarHBondContact O-N 3.41Å; T288-L290 VanDerWaalsContact C-N 3.35Å; T288-L290 PolarHBondContact O-N 2.85Å
289H74.6Confident85Confident164 Ų16482.5 Ų82.576%0.75940%0.4SS*.G310 helixtrans-72.7-23.4-170.8-162.8-75.8000113.8D287D287-H289 VanDerWaalsContact C-N 3.31Å; D287-H289 PolarHBondContact O-N 3.01Å
290L76.6Confident84.8Confident101 Ų10184.1 Ų84.153%0.52941%0.408SS..G310 helixtrans-13728.2-176.9-69.8171.6000113.4T288 Y292 F293 V294T288-L290 VanDerWaalsContact C-N 3.35Å; T288-L290 PolarHBondContact O-N 2.85Å; L290-Y292 PolarHBondContact O-N 3.02Å; L290-Y292 VanDerWaalsContact O-N 3.08Å; L290-F293 PolarHBondContact O-N 3.25Å; L290-V294 HydrophobicContact CB-CG2 3.89Å; L290-V294 WeakPolarHBondContact O-CG2 3.26Å; L290-V294 PolarHBondContact O-N 3.35Å
291W78.8Confident84.8Confident124 Ų12486.7 Ų86.747%0.4742%0.419SS..Hα-helixtrans-53.1-36.2-170.772.1-78.1000114.6F293 V294 I295W291-F293 VanDerWaalsContact C-N 3.27Å; W291-F293 PolarHBondContact O-N 3.24Å; W291-V294 PolarHBondContact O-N 3.33Å; W291-I295 HydrophobicContact CB-CD1 4.22Å; W291-I295 HydrophobicContact CB-CG1 4.49Å; W291-I295 HydrophobicContact CE3-CD1 3.92Å; W291-I295 WeakPolarHBondContact O-CB 3.42Å; W291-I295 WeakPolarHBondContact O-CG1 3.43Å; W291-I295 PolarHBondContact O-N 3.43Å
292Y81.8Confident84.9Confident165 Ų16586.9 Ų86.965%0.64742%0.42SS*.Hα-helixtrans-60.2-30.3177.8-64.6-73.3000114.4L290 P296L290-Y292 PolarHBondContact O-N 3.02Å; L290-Y292 VanDerWaalsContact O-N 3.08Å; Y292-P296 WeakPolarHBondContact O-CD 3.04Å; Y292-P296 VanDerWaalsContact O-CG 3.25Å; Y292-P296 WeakPolarHBondContact O-CG 3.22Å
293F82.3Confident84.9Confident167 Ų16790.8 Ų90.873%0.73244%0.436SS*.Hα-helixtrans-97.5-37.8176.6-71.4-74.2000111.8L290 W291 G297L290-F293 PolarHBondContact O-N 3.25Å; W291-F293 VanDerWaalsContact C-N 3.27Å; W291-F293 PolarHBondContact O-N 3.24Å; F293-G297 PolarHBondContact O-N 3.36Å; F293-G297 VanDerWaalsContact O-N 3.12Å
294V83.6Confident85Confident20 Ų2087.4 Ų87.412%0.12142%0.421CS..Hα-helixtrans-68.6-43.6-175.3174.90000111.4K284 L285 L290 W291 F298K284-V294 HydrophobicContact CG-CG1 4.05Å; L285-V294 HydrophobicContact CD2-CG1 4.38Å; L290-V294 HydrophobicContact CB-CG2 3.89Å; L290-V294 WeakPolarHBondContact O-CG2 3.26Å; L290-V294 PolarHBondContact O-N 3.35Å; W291-V294 PolarHBondContact O-N 3.33Å; V294-F298 WeakPolarHBondContact O-CB 3.49Å; V294-F298 PolarHBondContact O-N 3.5Å
295I86.2Confident85.4Confident70 Ų7085.9 Ų85.936%0.35942%0.415SS..Hα-helixtrans-66.7-54.2-177.3-59.4179.2000111.1L285 W291 G297 F298 S299L285-I295 HydrophobicContact CD2-CB 4.3Å; L285-I295 HydrophobicContact CD2-CG1 3.9Å; W291-I295 HydrophobicContact CB-CD1 4.22Å; W291-I295 HydrophobicContact CB-CG1 4.49Å; W291-I295 HydrophobicContact CE3-CD1 3.92Å; W291-I295 WeakPolarHBondContact O-CB 3.42Å; W291-I295 WeakPolarHBondContact O-CG1 3.43Å; W291-I295 PolarHBondContact O-N 3.43Å; I295-G297 VanDerWaalsContact C-N 3.33Å; I295-G297 PolarHBondContact O-N 3.26Å; I295-F298 PolarHBondContact O-N 3.3Å; I295-S299 WeakPolarHBondContact O-CB 3.46Å; I295-S299 PolarHBondContact O-N 3.07Å; I295-S299 PolarHBondContact O-OG 3.22Å
296P88.4Confident85.8Confident64 Ų6486 Ų8642%0.41641%0.414SS..Hα-helixtrans-63.7-39179.6-22.736.2000112.6Y292 S299 I300Y292-P296 WeakPolarHBondContact O-CD 3.04Å; Y292-P296 VanDerWaalsContact O-CG 3.25Å; Y292-P296 WeakPolarHBondContact O-CG 3.22Å; P296-S299 PolarHBondContact O-N 3.21Å; P296-I300 VanDerWaalsContact O-CG1 3.3Å; P296-I300 WeakPolarHBondContact O-CG1 3.41Å; P296-I300 PolarHBondContact O-N 3.23Å
297G87.3Confident86.2Confident14 Ų1477.2 Ų77.214%0.14438%0.384CS..Hα-helixtrans-59.3-53.5175.700000111.7F293 I295 S299 I300 F301F293-G297 PolarHBondContact O-N 3.36Å; F293-G297 VanDerWaalsContact O-N 3.12Å; I295-G297 VanDerWaalsContact C-N 3.33Å; I295-G297 PolarHBondContact O-N 3.26Å; G297-S299 VanDerWaalsContact C-N 3.34Å; G297-S299 PolarHBondContact O-N 3.45Å; G297-I300 PolarHBondContact O-N 3.04Å; G297-F301 WeakPolarHBondContact O-CB 3.32Å; G297-F301 WeakPolarHBondContact O-CD2 3.44Å; G297-F301 PolarHBondContact O-N 3.16Å
298F90.6Very high86.9Confident18 Ų1874.4 Ų74.48%0.07937%0.369CS..Hα-helixtrans-61.9-39.2177.4-176.2-93.5000112.3F278 A282 L285 V294 I295 G302 L370 S374F278-F298 HydrophobicContact CE2-CZ 4.1Å; F278-F298 HydrophobicContact CZ-CE1 4.42Å; F278-F298 HydrophobicContact CZ-CZ 4.13Å; A282-F298 VanDerWaalsContact CA-CZ 3.44Å; A282-F298 HydrophobicContact CB-CE1 4.04Å; A282-F298 HydrophobicContact CB-CE2 4.33Å; A282-F298 HydrophobicContact CB-CZ 3.57Å; L285-F298 HydrophobicContact CD1-CD1 3.72Å; L285-F298 HydrophobicContact CD1-CE1 3.91Å; L285-F298 HydrophobicContact CD1-CG 4.44Å; L285-F298 HydrophobicContact CD2-CB 3.92Å; L285-F298 HydrophobicContact CD2-CD1 4Å; L285-F298 HydrophobicContact CD2-CG 4.07Å; L285-F298 HydrophobicContact CG-CD1 4.06Å; L285-F298 HydrophobicContact CG-CG 4.28Å; V294-F298 WeakPolarHBondContact O-CB 3.49Å; V294-F298 PolarHBondContact O-N 3.5Å; I295-F298 PolarHBondContact O-N 3.3Å; F298-G302 WeakPolarHBondContact O-CA 3.45Å; F298-G302 PolarHBondContact O-N 3.37Å; F298-L370 HydrophobicContact CD2-CD1 3.93Å; F298-L370 HydrophobicContact CE2-CD1 3.87Å; F298-S374 VanDerWaalsContact CD2-OG 3.31Å; F298-S374 WeakPolarHBondContact CD2-OG 3.5Å
299S90.9Very high88Confident55 Ų5568.9 Ų68.939%0.38534%0.335SS..Hα-helixtrans-62.3-48.2177.4-64.70000111.9I295 P296 G297 I303I295-S299 WeakPolarHBondContact O-CB 3.46Å; I295-S299 PolarHBondContact O-N 3.07Å; I295-S299 PolarHBondContact O-OG 3.22Å; P296-S299 PolarHBondContact O-N 3.21Å; G297-S299 VanDerWaalsContact C-N 3.34Å; G297-S299 PolarHBondContact O-N 3.45Å; S299-I303 WeakPolarHBondContact O-CB 3.48Å; S299-I303 WeakPolarHBondContact O-CD1 3.41Å; S299-I303 WeakPolarHBondContact O-CG1 3.46Å; S299-I303 PolarHBondContact O-N 3.32Å
300I91.7Very high88.8Confident116 Ų11665 Ų6560%0.59532%0.319SS*.Hα-helixtrans-66.2-53.9-179.1-65.8167.6000110.4P296 G297 F304P296-I300 VanDerWaalsContact O-CG1 3.3Å; P296-I300 WeakPolarHBondContact O-CG1 3.41Å; P296-I300 PolarHBondContact O-N 3.23Å; G297-I300 PolarHBondContact O-N 3.04Å; I300-F304 WeakPolarHBondContact O-CB 3.33Å; I300-F304 PolarHBondContact O-N 3.09Å; I300-F304 VanDerWaalsContact O-N 3.07Å
301F93.2Very high89.5Confident75 Ų7560.5 Ų60.533%0.32930%0.295SS..Hα-helixtrans-71.6-31.6-176.8-65.4-60.3000112.6G297 W305 I369 L370 V373G297-F301 WeakPolarHBondContact O-CB 3.32Å; G297-F301 WeakPolarHBondContact O-CD2 3.44Å; G297-F301 PolarHBondContact O-N 3.16Å; F301-W305 WeakPolarHBondContact O-CB 3.39Å; F301-W305 PolarHBondContact O-N 3.28Å; F301-I369 HydrophobicContact CB-CG2 4.38Å; F301-I369 HydrophobicContact CD1-CG2 3.39Å; F301-I369 HydrophobicContact CD2-CG2 4.29Å; F301-I369 HydrophobicContact CE1-CG2 3.59Å; F301-I369 HydrophobicContact CE2-CG2 4.46Å; F301-I369 HydrophobicContact CG-CG2 3.77Å; F301-I369 HydrophobicContact CZ-CG2 4.13Å; F301-L370 HydrophobicContact CB-CD1 4.48Å; F301-V373 HydrophobicContact CD2-CB 4.38Å; F301-V373 HydrophobicContact CD2-CG1 4.24Å; F301-V373 HydrophobicContact CD2-CG2 3.65Å; F301-V373 HydrophobicContact CE2-CG2 3.84Å; F301-V373 HydrophobicContact CG-CG2 4.44Å
302G93.6Very high90.2Very high3 Ų354.7 Ų54.73%0.03127%0.273CS..Hα-helixtrans-69.1-42.7175.800000112.7F298 W305 M306F298-G302 WeakPolarHBondContact O-CA 3.45Å; F298-G302 PolarHBondContact O-N 3.37Å; G302-W305 PolarHBondContact O-N 3.36Å; G302-M306 VanDerWaalsContact O-CG 3.3Å; G302-M306 WeakPolarHBondContact O-CG 3.25Å; G302-M306 PolarHBondContact O-N 2.94Å
303I92.1Very high90.7Very high110 Ų11049.2 Ų49.256%0.56426%0.255SS*.Hα-helixtrans-63.4-45.7173.2-69.4167.1000110.2S299 W305 M306 I307S299-I303 WeakPolarHBondContact O-CB 3.48Å; S299-I303 WeakPolarHBondContact O-CD1 3.41Å; S299-I303 WeakPolarHBondContact O-CG1 3.46Å; S299-I303 PolarHBondContact O-N 3.32Å; I303-W305 VanDerWaalsContact C-N 3.33Å; I303-W305 PolarHBondContact O-N 3.21Å; I303-M306 PolarHBondContact O-N 3.01Å; I303-I307 HydrophobicContact CG2-CD1 3.99Å; I303-I307 WeakPolarHBondContact O-CG1 3.34Å; I303-I307 PolarHBondContact O-N 2.96Å
304F91.5Very high91.2Very high53 Ų5344.9 Ų44.923%0.23224%0.239CC..Hα-helixtrans-59.1-44.4176.4178.6-104000111.9I300 I307 C308 A366 L650I300-F304 WeakPolarHBondContact O-CB 3.33Å; I300-F304 PolarHBondContact O-N 3.09Å; I300-F304 VanDerWaalsContact O-N 3.07Å; F304-I307 PolarHBondContact O-N 3.39Å; F304-C308 PolarHBondContact O-N 2.93Å; F304-C308 PolarHBondContact O-SG 2.69Å; F304-A366 HydrophobicContact CD1-CB 3.89Å; F304-A366 HydrophobicContact CE1-CB 3.73Å; F304-L650 HydrophobicContact CD2-CD2 4.17Å; F304-L650 HydrophobicContact CE2-CD2 3.54Å
305W95.1Very high91.6Very high5 Ų544.1 Ų44.12%0.01924%0.235CC..Hα-helixtrans-59.5-48.3175.8-177.495.9000111.7E274 F277 F278 F301 G302 I303 I307 C308 H309 A366 T367 L370E274-W305 HydrophobicContact CB-CH2 3.94Å; E274-W305 HydrophobicContact CB-CZ2 4.09Å; E274-W305 WeakPolarHBondContact O-CH2 3.19Å; F277-W305 HydrophobicContact CD1-CZ2 4.13Å; F278-W305 HydrophobicContact CB-CE3 4.22Å; F278-W305 HydrophobicContact CB-CH2 3.78Å; F278-W305 HydrophobicContact CB-CZ2 4.48Å; F278-W305 HydrophobicContact CB-CZ3 3.61Å; F278-W305 HydrophobicContact CD2-CD2 4.02Å; F278-W305 AromaticContact CD2-CE3 3.34Å; F278-W305 HydrophobicContact CD2-CE3 3.34Å; F278-W305 HydrophobicContact CD2-CH2 4.44Å; F278-W305 AromaticContact CD2-CZ3 3.61Å; F278-W305 HydrophobicContact CD2-CZ3 3.61Å; F278-W305 AromaticContact CE2-CE3 3.95Å; F278-W305 HydrophobicContact CE2-CE3 3.95Å; F278-W305 HydrophobicContact CE2-CZ3 4.48Å; F278-W305 AromaticContact CG-CE3 3.99Å; F278-W305 HydrophobicContact CG-CE3 3.99Å; F278-W305 HydrophobicContact CG-CH2 4.4Å; F278-W305 AromaticContact CG-CZ3 3.74Å; F278-W305 HydrophobicContact CG-CZ3 3.74Å; F301-W305 WeakPolarHBondContact O-CB 3.39Å; F301-W305 PolarHBondContact O-N 3.28Å; G302-W305 PolarHBondContact O-N 3.36Å; I303-W305 VanDerWaalsContact C-N 3.33Å; I303-W305 PolarHBondContact O-N 3.21Å; W305-I307 VanDerWaalsContact C-N 3.32Å; W305-I307 PolarHBondContact O-N 3.43Å; W305-C308 PolarHBondContact O-N 3.28Å; W305-H309 AromaticContact CD1-CE1 3.34Å; W305-H309 AromaticContact CD1-ND1 3.56Å; W305-H309 AromaticContact CD2-CE1 3.89Å; W305-H309 AromaticContact CD2-CG 3.95Å; W305-H309 AromaticContact CD2-ND1 3.45Å; W305-H309 AromaticContact CE2-CD2 3.82Å; W305-H309 AromaticContact CE2-CE1 3.31Å; W305-H309 AromaticContact CE2-CG 3.6Å; W305-H309 AromaticContact CE2-ND1 3.26Å; W305-H309 VanDerWaalsContact CE2-ND1 3.26Å; W305-H309 AromaticContact CE2-NE2 3.64Å; W305-H309 HydrophobicContact CE3-CB 4.44Å; W305-H309 AromaticContact CG-CE1 3.89Å; W305-H309 AromaticContact CG-ND1 3.62Å; W305-H309 HydrophobicContact CH2-CB 4.17Å; W305-H309 AromaticContact CH2-CG 3.9Å; W305-H309 HydrophobicContact CZ2-CB 4.33Å; W305-H309 AromaticContact CZ2-CD2 3.55Å; W305-H309 AromaticContact CZ2-CE1 3.85Å; W305-H309 AromaticContact CZ2-CG 3.57Å; W305-H309 AromaticContact CZ2-ND1 3.77Å; W305-H309 AromaticContact CZ2-NE2 3.71Å; W305-H309 HydrophobicContact CZ3-CB 4.23Å; W305-H309 AromaticContact NE1-CE1 2.94Å; W305-H309 PolarHBondContact NE1-CE1 3.33Å; W305-H309 AromaticContact NE1-ND1 3.35Å; W305-H309 PolarHBondContact NE1-ND1 3.43Å; W305-H309 AromaticContact NE1-NE2 3.45Å; W305-H309 PolarHBondContact NE1-NE2 2.95Å; W305-H309 WeakPolarHBondContact O-CB 3.37Å; W305-H309 PolarHBondContact O-N 3.47Å; W305-H309 PolarHBondContact O-ND1 2.95Å; W305-A366 HydrophobicContact CB-CB 4.41Å; W305-T367 PolarHBondContact NE1-OG1 2.89Å; W305-L370 HydrophobicContact CB-CD2 3.93Å; W305-L370 HydrophobicContact CD2-CD2 3.82Å; W305-L370 HydrophobicContact CG-CB 4.41Å; W305-L370 HydrophobicContact CG-CD2 3.5Å; W305-L370 VanDerWaalsContact CG-CD2 3.5Å
306M93.3Very high91.9Very high69 Ų6941.5 Ų41.534%0.3422%0.221SC..Hα-helixtrans-58.1-43.8178.2-75.8-65.2-63.100111.8F278 G302 I303 H309 I310F278-M306 HydrophobicContact CD1-SD 4.18Å; F278-M306 HydrophobicContact CD2-SD 4.3Å; F278-M306 HydrophobicContact CE1-CG 4.43Å; F278-M306 HydrophobicContact CE1-SD 4.09Å; F278-M306 HydrophobicContact CE2-CG 3.96Å; F278-M306 HydrophobicContact CE2-SD 4.22Å; F278-M306 HydrophobicContact CG-SD 4.28Å; F278-M306 HydrophobicContact CZ-CG 3.9Å; F278-M306 HydrophobicContact CZ-SD 4.12Å; G302-M306 VanDerWaalsContact O-CG 3.3Å; G302-M306 WeakPolarHBondContact O-CG 3.25Å; G302-M306 PolarHBondContact O-N 2.94Å; I303-M306 PolarHBondContact O-N 3.01Å; M306-H309 PolarHBondContact O-N 3.08Å; M306-I310 VanDerWaalsContact O-CG1 3.25Å; M306-I310 WeakPolarHBondContact O-CG1 3.22Å; M306-I310 PolarHBondContact O-N 3.45Å
307I91.4Very high92.1Very high42 Ų4243.2 Ų43.222%0.21522%0.219CC..Hα-helixtrans-62.5-48.3177.8-66167.7000110.5I303 F304 W305 H309 I310 I311 T647 L650I303-I307 HydrophobicContact CG2-CD1 3.99Å; I303-I307 WeakPolarHBondContact O-CG1 3.34Å; I303-I307 PolarHBondContact O-N 2.96Å; F304-I307 PolarHBondContact O-N 3.39Å; W305-I307 VanDerWaalsContact C-N 3.32Å; W305-I307 PolarHBondContact O-N 3.43Å; I307-H309 VanDerWaalsContact C-N 3.32Å; I307-H309 PolarHBondContact O-N 3.37Å; I307-I310 PolarHBondContact O-N 3.41Å; I307-I311 HydrophobicContact CG2-CD1 4.01Å; I307-I311 WeakPolarHBondContact O-CD1 3.33Å; I307-I311 WeakPolarHBondContact O-CG1 3.31Å; I307-I311 PolarHBondContact O-N 2.83Å; I307-T647 HydrophobicContact CG2-CG2 3.87Å; I307-L650 HydrophobicContact CG2-CD1 3.46Å; I307-L650 VanDerWaalsContact CG2-CD1 3.46Å
308C91.8Very high92.2Very high7 Ų743.8 Ų43.85%0.04723%0.225CC..Hα-helixtrans-62-38.8179.7-64.70000112.2F304 W305 I311 F312 A366F304-C308 PolarHBondContact O-N 2.93Å; F304-C308 PolarHBondContact O-SG 2.69Å; W305-C308 PolarHBondContact O-N 3.28Å; C308-I311 WeakPolarHBondContact O-CB 3.42Å; C308-I311 PolarHBondContact O-N 3.48Å; C308-F312 WeakPolarHBondContact O-CB 3.36Å; C308-F312 PolarHBondContact O-N 3.23Å; C308-A366 HydrophobicContact CB-CB 4.21Å
309H93.8Very high92.3Very high5 Ų542.9 Ų42.92%0.02322%0.221CC..Hα-helixtrans-78.4-30.3-177.1-74.472.7000113.3E274 W305 M306 I307 I311 F312 L313 S363 T367 E393E274-H309 VanDerWaalsContact CD-CD2 3.5Å; E274-H309 IonicContact OE1-CD2 2.78Å; E274-H309 IonicContact OE2-CD2 3.28Å; E274-H309 PolarHBondContact OE2-CD2 3.49Å; W305-H309 AromaticContact CD1-CE1 3.34Å; W305-H309 AromaticContact CD1-ND1 3.56Å; W305-H309 AromaticContact CD2-CE1 3.89Å; W305-H309 AromaticContact CD2-CG 3.95Å; W305-H309 AromaticContact CD2-ND1 3.45Å; W305-H309 AromaticContact CE2-CD2 3.82Å; W305-H309 AromaticContact CE2-CE1 3.31Å; W305-H309 AromaticContact CE2-CG 3.6Å; W305-H309 AromaticContact CE2-ND1 3.26Å; W305-H309 VanDerWaalsContact CE2-ND1 3.26Å; W305-H309 AromaticContact CE2-NE2 3.64Å; W305-H309 HydrophobicContact CE3-CB 4.44Å; W305-H309 AromaticContact CG-CE1 3.89Å; W305-H309 AromaticContact CG-ND1 3.62Å; W305-H309 HydrophobicContact CH2-CB 4.17Å; W305-H309 AromaticContact CH2-CG 3.9Å; W305-H309 HydrophobicContact CZ2-CB 4.33Å; W305-H309 AromaticContact CZ2-CD2 3.55Å; W305-H309 AromaticContact CZ2-CE1 3.85Å; W305-H309 AromaticContact CZ2-CG 3.57Å; W305-H309 AromaticContact CZ2-ND1 3.77Å; W305-H309 AromaticContact CZ2-NE2 3.71Å; W305-H309 HydrophobicContact CZ3-CB 4.23Å; W305-H309 AromaticContact NE1-CE1 2.94Å; W305-H309 PolarHBondContact NE1-CE1 3.33Å; W305-H309 AromaticContact NE1-ND1 3.35Å; W305-H309 PolarHBondContact NE1-ND1 3.43Å; W305-H309 AromaticContact NE1-NE2 3.45Å; W305-H309 PolarHBondContact NE1-NE2 2.95Å; W305-H309 WeakPolarHBondContact O-CB 3.37Å; W305-H309 PolarHBondContact O-N 3.47Å; W305-H309 PolarHBondContact O-ND1 2.95Å; M306-H309 PolarHBondContact O-N 3.08Å; I307-H309 VanDerWaalsContact C-N 3.32Å; I307-H309 PolarHBondContact O-N 3.37Å; H309-I311 VanDerWaalsContact C-N 3.31Å; H309-I311 PolarHBondContact O-N 3.47Å; H309-F312 WeakPolarHBondContact O-CB 3.38Å; H309-F312 PolarHBondContact O-N 3.34Å; H309-L313 WeakPolarHBondContact O-CG 3.49Å; H309-L313 PolarHBondContact O-N 2.84Å; H309-S363 PolarHBondContact CE1-O 3.44Å; H309-T367 PolarHBondContact CE1-OG1 2.73Å; H309-T367 PolarHBondContact NE2-OG1 3.49Å; H309-T367 VanDerWaalsContact NE2-OG1 3.07Å; H309-E393 IonicContact CE1-OE1 3.2Å; H309-E393 IonicContact NE2-OE1 2.67Å; H309-E393 PolarHBondContact NE2-OE1 3.43Å; H309-E393 VanDerWaalsContact NE2-OE1 3.09Å; H309-E393 IonicContact NE2-OE2 2.89Å
310I91.9Very high92.3Very high83 Ų8340.7 Ų40.743%0.42621%0.205SC..Hα-helixtrans-61.3-44.5167.3-70.5166.6000110.1M306 I307 L313 L314M306-I310 VanDerWaalsContact O-CG1 3.25Å; M306-I310 WeakPolarHBondContact O-CG1 3.22Å; M306-I310 PolarHBondContact O-N 3.45Å; I307-I310 PolarHBondContact O-N 3.41Å; I310-L313 PolarHBondContact O-N 3.44Å; I310-L314 HydrophobicContact CG2-CD1 4Å; I310-L314 HydrophobicContact CG2-CG 4.48Å; I310-L314 WeakPolarHBondContact O-CB 3.32Å; I310-L314 VanDerWaalsContact O-CG 3.27Å; I310-L314 WeakPolarHBondContact O-CG 3.33Å; I310-L314 PolarHBondContact O-N 3Å
311I90.9Very high92.2Very high5 Ų537.8 Ų37.83%0.02619%0.192CC..Hα-helixtrans-62.4-43.7176-66160.2000110.6I307 C308 H309 L314 T315 L359 W639 F643 T647 L650I307-I311 HydrophobicContact CG2-CD1 4.01Å; I307-I311 WeakPolarHBondContact O-CD1 3.33Å; I307-I311 WeakPolarHBondContact O-CG1 3.31Å; I307-I311 PolarHBondContact O-N 2.83Å; C308-I311 WeakPolarHBondContact O-CB 3.42Å; C308-I311 PolarHBondContact O-N 3.48Å; H309-I311 VanDerWaalsContact C-N 3.31Å; H309-I311 PolarHBondContact O-N 3.47Å; I311-L314 PolarHBondContact O-N 3.49Å; I311-T315 VanDerWaalsContact O-CB 3.27Å; I311-T315 WeakPolarHBondContact O-CB 3.4Å; I311-T315 PolarHBondContact O-N 2.85Å; I311-T315 PolarHBondContact O-OG1 3.15Å; I311-L359 HydrophobicContact CG2-CB 4.24Å; I311-L359 HydrophobicContact CG2-CD1 4.14Å; I311-W639 HydrophobicContact CD1-CH2 4.17Å; I311-W639 HydrophobicContact CD1-CZ2 3.54Å; I311-F643 HydrophobicContact CB-CD1 4.49Å; I311-F643 HydrophobicContact CB-CE1 4.3Å; I311-F643 HydrophobicContact CG1-CD1 4.22Å; I311-F643 HydrophobicContact CG2-CD1 4.24Å; I311-F643 HydrophobicContact CG2-CE1 3.74Å; I311-F643 HydrophobicContact CG2-CE2 4.32Å; I311-F643 HydrophobicContact CG2-CZ 3.8Å; I311-T647 HydrophobicContact CD1-CG2 3.96Å; I311-T647 HydrophobicContact CG1-CG2 4.09Å; I311-L650 HydrophobicContact CD1-CD1 3.88Å
312F92.4Very high92Very high2 Ų235.5 Ų35.51%0.00918%0.182CC..Hα-helixtrans-56-51.9176.3173.4-102.9000112.1E274 C308 H309 L314 T315 L316 V360 E393 A396E274-F312 VanDerWaalsContact OE1-CD1 3.23Å; E274-F312 WeakPolarHBondContact OE1-CD1 3.4Å; E274-F312 WeakPolarHBondContact OE1-CE1 3.41Å; C308-F312 WeakPolarHBondContact O-CB 3.36Å; C308-F312 PolarHBondContact O-N 3.23Å; H309-F312 WeakPolarHBondContact O-CB 3.38Å; H309-F312 PolarHBondContact O-N 3.34Å; F312-L314 PolarHBondContact O-N 2.83Å; F312-T315 WeakPolarHBondContact O-CB 3.08Å; F312-T315 PolarHBondContact O-N 3.23Å; F312-T315 VanDerWaalsContact O-N 3.17Å; F312-L316 HydrophobicContact CD1-CD1 4.11Å; F312-L316 HydrophobicContact CE1-CD1 3.4Å; F312-L316 VanDerWaalsContact CE1-CD1 3.4Å; F312-L316 HydrophobicContact CE1-CG 4.34Å; F312-L316 HydrophobicContact CE2-CD1 4.04Å; F312-L316 HydrophobicContact CE2-CG 4.28Å; F312-L316 HydrophobicContact CZ-CD1 3.38Å; F312-L316 HydrophobicContact CZ-CG 4.12Å; F312-L316 PolarHBondContact O-N 3.17Å; F312-V360 HydrophobicContact CD2-CB 4.24Å; F312-V360 HydrophobicContact CD2-CG1 3.76Å; F312-V360 HydrophobicContact CD2-CG2 3.76Å; F312-V360 HydrophobicContact CE2-CB 4.44Å; F312-V360 HydrophobicContact CE2-CG1 3.59Å; F312-V360 HydrophobicContact CE2-CG2 4.05Å; F312-E393 HydrophobicContact CZ-CG 4.41Å; F312-A396 HydrophobicContact CE2-CB 3.52Å; F312-A396 HydrophobicContact CZ-CB 3.69Å
313L93.2Very high91.9Very high51 Ų5135.4 Ų35.427%0.26718%0.181SC..Hα-helixtrans-64.1-41.9179.8-68.1174.6000112.2V267 H309 I310 T315 L316 W317V267-L313 HydrophobicContact CG1-CD2 4.17Å; H309-L313 WeakPolarHBondContact O-CG 3.49Å; H309-L313 PolarHBondContact O-N 2.84Å; I310-L313 PolarHBondContact O-N 3.44Å; L313-T315 VanDerWaalsContact C-N 3.3Å; L313-T315 PolarHBondContact O-N 3.44Å; L313-L316 PolarHBondContact O-N 3.08Å; L313-W317 VanDerWaalsContact O-CB 3.3Å; L313-W317 WeakPolarHBondContact O-CB 3.36Å; L313-W317 PolarHBondContact O-N 3.44Å
314L91.7Very high91.8Very high76 Ų7631.2 Ų31.240%0.39816%0.16SC..Hα-helixtrans-62-39.1174.1-73.4175.3000111.7I310 I311 F312 W317 G318 F643I310-L314 HydrophobicContact CG2-CD1 4Å; I310-L314 HydrophobicContact CG2-CG 4.48Å; I310-L314 WeakPolarHBondContact O-CB 3.32Å; I310-L314 VanDerWaalsContact O-CG 3.27Å; I310-L314 WeakPolarHBondContact O-CG 3.33Å; I310-L314 PolarHBondContact O-N 3Å; I311-L314 PolarHBondContact O-N 3.49Å; F312-L314 PolarHBondContact O-N 2.83Å; L314-W317 PolarHBondContact O-N 3.14Å; L314-G318 PolarHBondContact O-N 3.42Å; L314-F643 HydrophobicContact CB-CD1 4.24Å; L314-F643 HydrophobicContact CB-CE1 3.84Å; L314-F643 HydrophobicContact CD1-CD1 3.87Å; L314-F643 HydrophobicContact CD1-CE1 4.33Å
315T91.9Very high91.7Very high4 Ų431.9 Ų31.93%0.02517%0.166CC..Hα-helixtrans-65.5-47.6177.9-60.80000111.4I311 F312 L313 W317 G318 F319 F352 S356 F400I311-T315 VanDerWaalsContact O-CB 3.27Å; I311-T315 WeakPolarHBondContact O-CB 3.4Å; I311-T315 PolarHBondContact O-N 2.85Å; I311-T315 PolarHBondContact O-OG1 3.15Å; F312-T315 WeakPolarHBondContact O-CB 3.08Å; F312-T315 PolarHBondContact O-N 3.23Å; F312-T315 VanDerWaalsContact O-N 3.17Å; L313-T315 VanDerWaalsContact C-N 3.3Å; L313-T315 PolarHBondContact O-N 3.44Å; T315-W317 VanDerWaalsContact C-N 3.31Å; T315-W317 PolarHBondContact O-N 3.28Å; T315-G318 PolarHBondContact O-N 2.96Å; T315-F319 WeakPolarHBondContact O-CB 3.23Å; T315-F319 PolarHBondContact O-N 3.22Å; T315-F352 HydrophobicContact CG2-CZ 4.35Å; T315-S356 VanDerWaalsContact CG2-CB 3.41Å; T315-S356 WeakPolarHBondContact CG2-OG 3.31Å; T315-F400 HydrophobicContact CG2-CE2 4.12Å; T315-F400 HydrophobicContact CG2-CZ 4Å
316L92.5Very high91.4Very high14 Ų1431.7 Ų31.77%0.07317%0.165CC..Hα-helixtrans-60.9-40.6174.5-75.6-179.6000112.1V267 F312 L313 F319 H320 A396 F400V267-L316 HydrophobicContact CG1-CB 4.26Å; V267-L316 HydrophobicContact CG2-CB 4.11Å; F312-L316 HydrophobicContact CD1-CD1 4.11Å; F312-L316 HydrophobicContact CE1-CD1 3.4Å; F312-L316 VanDerWaalsContact CE1-CD1 3.4Å; F312-L316 HydrophobicContact CE1-CG 4.34Å; F312-L316 HydrophobicContact CE2-CD1 4.04Å; F312-L316 HydrophobicContact CE2-CG 4.28Å; F312-L316 HydrophobicContact CZ-CD1 3.38Å; F312-L316 HydrophobicContact CZ-CG 4.12Å; F312-L316 PolarHBondContact O-N 3.17Å; L313-L316 PolarHBondContact O-N 3.08Å; L316-F319 WeakPolarHBondContact O-CB 3.38Å; L316-F319 PolarHBondContact O-N 3.3Å; L316-H320 PolarHBondContact O-N 2.86Å; L316-A396 HydrophobicContact CD2-CB 4.13Å; L316-F400 HydrophobicContact CD2-CE2 4.01Å; L316-F400 HydrophobicContact CD2-CZ 3.99Å
317W92.4Very high91.2Very high101 Ų10128.7 Ų28.738%0.38315%0.151SC..Hα-helixtrans-65.3-43.1176.8-170.5-91.1000112.5R264 V267 L313 L314 T315 H320 T321R264-W317 HydrophobicContact CB-CH2 4.29Å; R264-W317 HydrophobicContact CB-CZ3 4.08Å; R264-W317 HydrophobicContact CG-CH2 3.92Å; R264-W317 HydrophobicContact CG-CZ3 3.94Å; V267-W317 HydrophobicContact CB-CE3 4.49Å; V267-W317 HydrophobicContact CG1-CE3 4.33Å; L313-W317 VanDerWaalsContact O-CB 3.3Å; L313-W317 WeakPolarHBondContact O-CB 3.36Å; L313-W317 PolarHBondContact O-N 3.44Å; L314-W317 PolarHBondContact O-N 3.14Å; T315-W317 VanDerWaalsContact C-N 3.31Å; T315-W317 PolarHBondContact O-N 3.28Å; W317-H320 PolarHBondContact O-N 3.45Å; W317-T321 PolarHBondContact O-N 3.31Å; W317-T321 PolarHBondContact O-OG1 2.52Å
318G90.4Very high91Very high25 Ų2532.2 Ų32.226%0.25816%0.164SC..Hα-helixtrans-60.6-46.8174.400000111.8L314 T315 H320 T321 K322L314-G318 PolarHBondContact O-N 3.42Å; T315-G318 PolarHBondContact O-N 2.96Å; G318-H320 VanDerWaalsContact C-N 3.33Å; G318-H320 PolarHBondContact O-N 3.47Å; G318-T321 PolarHBondContact O-N 2.89Å; G318-T321 VanDerWaalsContact O-N 3.15Å; G318-K322 PolarHBondContact O-N 3.17Å
319F91.9Very high90.7Very high0 Ų033.6 Ų33.60%017%0.173CC..Hα-helixtrans-54.5-48.7174.3176.8-111.1000111.6F255 L256 T315 L316 T321 K322 L323 M349 F352 L399 F400 L403F255-F319 HydrophobicContact CE1-CE1 4.37Å; L256-F319 HydrophobicContact CD2-CZ 4.16Å; T315-F319 WeakPolarHBondContact O-CB 3.23Å; T315-F319 PolarHBondContact O-N 3.22Å; L316-F319 WeakPolarHBondContact O-CB 3.38Å; L316-F319 PolarHBondContact O-N 3.3Å; F319-T321 VanDerWaalsContact C-N 3.31Å; F319-T321 PolarHBondContact O-N 3.42Å; F319-K322 PolarHBondContact O-N 2.86Å; F319-L323 HydrophobicContact CE1-CD2 4.1Å; F319-L323 HydrophobicContact CZ-CD2 4.33Å; F319-L323 VanDerWaalsContact O-CB 3.27Å; F319-L323 WeakPolarHBondContact O-CB 3.37Å; F319-L323 PolarHBondContact O-N 3.38Å; F319-M349 HydrophobicContact CD2-CE 3.72Å; F319-M349 HydrophobicContact CD2-SD 3.56Å; F319-M349 VanDerWaalsContact CD2-SD 3.56Å; F319-M349 HydrophobicContact CE2-CE 3.49Å; F319-M349 VanDerWaalsContact CE2-CE 3.49Å; F319-M349 HydrophobicContact CE2-CG 4.19Å; F319-M349 HydrophobicContact CE2-SD 3.56Å; F319-M349 VanDerWaalsContact CE2-SD 3.56Å; F319-M349 HydrophobicContact CZ-CE 4.24Å; F319-F352 HydrophobicContact CB-CE1 3.68Å; F319-F352 HydrophobicContact CB-CZ 4.27Å; F319-F352 HydrophobicContact CD2-CD1 4.28Å; F319-F352 HydrophobicContact CD2-CE1 4.21Å; F319-F352 HydrophobicContact CG-CE1 4.44Å; F319-L399 HydrophobicContact CD1-CD2 4.3Å; F319-L399 HydrophobicContact CE1-CD2 3.72Å; F319-L399 HydrophobicContact CZ-CD2 4.11Å; F319-L399 HydrophobicContact CZ-CG 4.47Å; F319-F400 HydrophobicContact CB-CE1 3.81Å; F319-F400 HydrophobicContact CB-CZ 3.97Å; F319-F400 HydrophobicContact CD1-CE1 4.31Å; F319-F400 HydrophobicContact CD2-CD1 4.39Å; F319-F400 AromaticContact CD2-CE1 3.62Å; F319-F400 HydrophobicContact CD2-CE1 3.62Å; F319-F400 HydrophobicContact CE2-CE1 4.28Å; F319-F400 AromaticContact CG-CE1 3.65Å; F319-F400 HydrophobicContact CG-CE1 3.65Å; F319-F400 HydrophobicContact CG-CZ 4.15Å; F319-L403 HydrophobicContact CE2-CD1 4.03Å; F319-L403 HydrophobicContact CZ-CD1 3.8Å
320H91.3Very high90.3Very high8 Ų836.3 Ų36.34%0.03718%0.183CC..Hα-helixtrans-65.9-33179.8-76.11.4000113.7F255 R263 V267 L316 W317 G318 N324F255-H320 AromaticContact CE1-CE1 3.7Å; F255-H320 AromaticContact CZ-CE1 3.42Å; F255-H320 VanDerWaalsContact CZ-CE1 3.42Å; F255-H320 WeakPolarHBondContact CZ-CE1 3.49Å; F255-H320 AromaticContact CZ-NE2 3.75Å; R263-H320 PolarHBondContact O-CD2 3.19Å; R263-H320 PolarHBondContact O-NE2 3.4Å; V267-H320 VanDerWaalsContact CG2-CD2 3.43Å; V267-H320 WeakPolarHBondContact CG2-CD2 3.15Å; L316-H320 PolarHBondContact O-N 2.86Å; W317-H320 PolarHBondContact O-N 3.45Å; G318-H320 VanDerWaalsContact C-N 3.33Å; G318-H320 PolarHBondContact O-N 3.47Å; H320-N324 VanDerWaalsContact O-CB 3.25Å; H320-N324 WeakPolarHBondContact O-CB 3.17Å; H320-N324 PolarHBondContact O-N 3.44Å
321T89.6Confident89.8Confident55 Ų5538 Ų3834%0.33719%0.187SC..Hα-helixtrans-66.4-49.4175.2-590000110.2W317 G318 F319 L323 N324 D325W317-T321 PolarHBondContact O-N 3.31Å; W317-T321 PolarHBondContact O-OG1 2.52Å; G318-T321 PolarHBondContact O-N 2.89Å; G318-T321 VanDerWaalsContact O-N 3.15Å; F319-T321 VanDerWaalsContact C-N 3.31Å; F319-T321 PolarHBondContact O-N 3.42Å; T321-L323 PolarHBondContact O-N 3.41Å; T321-N324 WeakPolarHBondContact O-CB 3.17Å; T321-N324 PolarHBondContact O-N 3.46Å; T321-N324 VanDerWaalsContact O-N 3.11Å; T321-D325 PolarHBondContact O-N 2.83Å; T321-D325 VanDerWaalsContact O-N 3.1Å
322K90.1Very high89.3Confident28 Ų2843.1 Ų43.112%0.12222%0.219CC..Hα-helixtrans-62-40.9176.7-165.2165.2-172.11650112.6G318 F319 N324 D325 C326 K347 G348 M349 F352 D491G318-K322 PolarHBondContact O-N 3.17Å; F319-K322 PolarHBondContact O-N 2.86Å; K322-N324 VanDerWaalsContact C-N 3.32Å; K322-N324 PolarHBondContact O-N 3.34Å; K322-D325 PolarHBondContact O-N 2.58Å; K322-C326 PolarHBondContact O-N 3.07Å; K322-C326 PolarHBondContact O-SG 2.94Å; K322-K347 WeakPolarHBondContact CE-O 3.05Å; K322-K347 PolarHBondContact NZ-O 3.16Å; K322-G348 PolarHBondContact NZ-O 3.42Å; K322-G348 VanDerWaalsContact NZ-O 3.1Å; K322-M349 HydrophobicContact CB-CE 4.06Å; K322-M349 HydrophobicContact CB-SD 4.27Å; K322-M349 HydrophobicContact CD-SD 3.99Å; K322-M349 HydrophobicContact CG-CE 4.15Å; K322-M349 HydrophobicContact CG-SD 4.06Å; K322-F352 HydrophobicContact CD-CB 4.3Å; K322-F352 HydrophobicContact CD-CG 4.36Å; K322-D491 IonicContact NZ-OD1 3.33Å; K322-D491 PolarHBondContact NZ-OD1 3.41Å; K322-D491 IonicContact NZ-OD2 2.73Å; K322-D491 PolarHBondContact NZ-OD2 3.28Å
323L91.3Very high88.3Confident0 Ų046.8 Ų46.80%024%0.236CC..Hα-helixtrans-63.9-38.4174.9-179.560.5000111.3L256 F319 T321 D325 C326 H327 M344 M349L256-L323 HydrophobicContact CD2-CD1 4.28Å; L256-L323 HydrophobicContact CD2-CD2 3.91Å; F319-L323 HydrophobicContact CE1-CD2 4.1Å; F319-L323 HydrophobicContact CZ-CD2 4.33Å; F319-L323 VanDerWaalsContact O-CB 3.27Å; F319-L323 WeakPolarHBondContact O-CB 3.37Å; F319-L323 PolarHBondContact O-N 3.38Å; T321-L323 PolarHBondContact O-N 3.41Å; L323-D325 VanDerWaalsContact C-N 3.31Å; L323-D325 PolarHBondContact O-N 3.09Å; L323-C326 WeakPolarHBondContact O-CB 3.36Å; L323-C326 PolarHBondContact O-N 3.13Å; L323-H327 PolarHBondContact O-CD2 3.18Å; L323-H327 VanDerWaalsContact O-CD2 3.29Å; L323-H327 PolarHBondContact O-N 2.86Å; L323-M344 HydrophobicContact CD1-CE 4.29Å; L323-M344 HydrophobicContact CD1-SD 4.12Å; L323-M349 HydrophobicContact CB-CE 3.69Å; L323-M349 HydrophobicContact CD1-CE 4.32Å
324N90.1Very high86.6Confident23 Ų2353.6 Ų53.612%0.12326%0.258CS..Hα-helixtrans-65.2-36.4177.1-169.267.7000111.9R263 H320 T321 K322 H327 K328R263-N324 PolarHBondContact NH2-OD1 3.02Å; H320-N324 VanDerWaalsContact O-CB 3.25Å; H320-N324 WeakPolarHBondContact O-CB 3.17Å; H320-N324 PolarHBondContact O-N 3.44Å; T321-N324 WeakPolarHBondContact O-CB 3.17Å; T321-N324 PolarHBondContact O-N 3.46Å; T321-N324 VanDerWaalsContact O-N 3.11Å; K322-N324 VanDerWaalsContact C-N 3.32Å; K322-N324 PolarHBondContact O-N 3.34Å; N324-H327 PolarHBondContact O-N 2.74Å; N324-K328 WeakPolarHBondContact O-CG 3.35Å; N324-K328 PolarHBondContact O-N 3.36Å
325D88.7Confident84.9Confident67 Ų6756.1 Ų56.136%0.35828%0.277SS..Hα-helixtrans-68.9-36174.2-64.2-29.7000111.9T321 K322 L323 K328 V329T321-D325 PolarHBondContact O-N 2.83Å; T321-D325 VanDerWaalsContact O-N 3.1Å; K322-D325 PolarHBondContact O-N 2.58Å; L323-D325 VanDerWaalsContact C-N 3.31Å; L323-D325 PolarHBondContact O-N 3.09Å; D325-K328 PolarHBondContact O-N 2.87Å; D325-K328 IonicContact OD1-NZ 2.79Å; D325-K328 PolarHBondContact OD1-NZ 3.27Å; D325-V329 WeakPolarHBondContact O-CG2 3.12Å; D325-V329 PolarHBondContact O-N 3.49Å
326C88.5Confident83.1Confident1 Ų159.5 Ų59.51%0.00730%0.295CS..Hα-helixtrans-61.7-43.2169.9-60.10000111.6K322 L323 K328 V329 Y330 L340 I343 M344K322-C326 PolarHBondContact O-N 3.07Å; K322-C326 PolarHBondContact O-SG 2.94Å; L323-C326 WeakPolarHBondContact O-CB 3.36Å; L323-C326 PolarHBondContact O-N 3.13Å; C326-K328 PolarHBondContact O-N 3.33Å; C326-V329 PolarHBondContact O-N 3.14Å; C326-Y330 WeakPolarHBondContact O-CB 3.22Å; C326-Y330 PolarHBondContact O-N 3.46Å; C326-L340 HydrophobicContact CB-CD1 4.46Å; C326-I343 HydrophobicContact CB-CG2 3.97Å; C326-M344 HydrophobicContact CB-CG 4.27Å
327H88.6Confident81.4Confident6 Ų667.3 Ų67.33%0.02833%0.325CS..Hα-helixtrans-63.5-38.6176.5-90.6-78.5000112.7L256 R263 L323 N324 V329 Y330 F331L256-H327 PolarHBondContact O-NE2 3.46Å; R263-H327 PolarHBondContact NH1-CD2 3.23Å; R263-H327 PolarHBondContact NH1-NE2 3.42Å; L323-H327 PolarHBondContact O-CD2 3.18Å; L323-H327 VanDerWaalsContact O-CD2 3.29Å; L323-H327 PolarHBondContact O-N 2.86Å; N324-H327 PolarHBondContact O-N 2.74Å; H327-V329 VanDerWaalsContact C-N 3.35Å; H327-V329 PolarHBondContact O-N 2.87Å; H327-Y330 PolarHBondContact O-N 2.8Å; H327-F331 HydrophobicContact CB-CD2 4.28Å; H327-F331 HydrophobicContact CB-CE2 4.16Å; H327-F331 AromaticContact ND1-CE2 3.6Å; H327-F331 WeakPolarHBondContact O-CD2 3.45Å; H327-F331 PolarHBondContact O-N 2.85Å
328K87.8Confident80Confident115 Ų11563 Ų6350%0.531%0.309SS..Hα-helixtrans-56.7-51.3174.2-72172.6-170.6159.60110.3N324 D325 C326 Y330 F331 T332N324-K328 WeakPolarHBondContact O-CG 3.35Å; N324-K328 PolarHBondContact O-N 3.36Å; D325-K328 PolarHBondContact O-N 2.87Å; D325-K328 IonicContact OD1-NZ 2.79Å; D325-K328 PolarHBondContact OD1-NZ 3.27Å; C326-K328 PolarHBondContact O-N 3.33Å; K328-Y330 VanDerWaalsContact C-N 3.32Å; K328-Y330 PolarHBondContact O-N 2.94Å; K328-F331 PolarHBondContact O-N 2.95Å; K328-T332 PolarHBondContact O-N 2.99Å; K328-T332 PolarHBondContact O-OG1 3.48Å
329V85.4Confident79.3Confident37 Ų3764.7 Ų64.722%0.22432%0.317CS..Hα-helixtrans-60.2-43177.51790000111.1D325 C326 H327 F331 T332 H333 I343D325-V329 WeakPolarHBondContact O-CG2 3.12Å; D325-V329 PolarHBondContact O-N 3.49Å; C326-V329 PolarHBondContact O-N 3.14Å; H327-V329 VanDerWaalsContact C-N 3.35Å; H327-V329 PolarHBondContact O-N 2.87Å; V329-F331 PolarHBondContact O-N 2.84Å; V329-T332 PolarHBondContact O-N 2.82Å; V329-H333 PolarHBondContact O-CD2 3.25Å; V329-H333 PolarHBondContact O-N 2.84Å; V329-I343 HydrophobicContact CB-CG2 4.11Å; V329-I343 HydrophobicContact CG1-CD1 4.35Å; V329-I343 HydrophobicContact CG1-CG2 4.11Å
330Y84.8Confident78.9Confident62 Ų6264.8 Ų64.824%0.24332%0.317CS..Hα-helixtrans-60.6-44.1177.8179.6-100.3000112.9Y257 C326 H327 K328 H333 R334 L340 I343Y257-Y330 HydrophobicContact CE1-CE1 4.13Å; C326-Y330 WeakPolarHBondContact O-CB 3.22Å; C326-Y330 PolarHBondContact O-N 3.46Å; H327-Y330 PolarHBondContact O-N 2.8Å; K328-Y330 VanDerWaalsContact C-N 3.32Å; K328-Y330 PolarHBondContact O-N 2.94Å; Y330-H333 CarbonylContact O-C 3.57Å; Y330-H333 PolarHBondContact O-N 3.24Å; Y330-R334 PolarHBondContact O-N 3.44Å; Y330-L340 HydrophobicContact CD2-CB 4.44Å; Y330-L340 HydrophobicContact CG-CD1 4.39Å; Y330-I343 HydrophobicContact CD2-CD1 3.92Å; Y330-I343 HydrophobicContact CG-CD1 4.36Å
331F82.3Confident78.5Confident118 Ų11866.8 Ų66.852%0.51833%0.328SS..Hα-helixtrans-73.2-30.7178.9-74-61.4000113H327 K328 V329H327-F331 HydrophobicContact CB-CD2 4.28Å; H327-F331 HydrophobicContact CB-CE2 4.16Å; H327-F331 AromaticContact ND1-CE2 3.6Å; H327-F331 WeakPolarHBondContact O-CD2 3.45Å; H327-F331 PolarHBondContact O-N 2.85Å; K328-F331 PolarHBondContact O-N 2.95Å; V329-F331 PolarHBondContact O-N 2.84Å
332T80.8Confident78.1Confident113 Ų11366 Ų6669%0.69332%0.319SS*.Hα-helixtrans-69.5-35.2173.7-50.20000111.9K328 V329K328-T332 PolarHBondContact O-N 2.99Å; K328-T332 PolarHBondContact O-OG1 3.48Å; V329-T332 PolarHBondContact O-N 2.82Å
333H71.3Confident77.9Confident78 Ų7864.7 Ų64.736%0.36131%0.314SS..THydrogen-bonded Turntrans-101.431.2-179.4-70-71.8000113.9V329 Y330 T335 D336V329-H333 PolarHBondContact O-CD2 3.25Å; V329-H333 PolarHBondContact O-N 2.84Å; Y330-H333 CarbonylContact O-C 3.57Å; Y330-H333 PolarHBondContact O-N 3.24Å; H333-T335 PolarHBondContact O-N 2.84Å; H333-D336 IonicContact CG-OD2 2.76Å; H333-D336 IonicContact ND1-OD2 3.79Å; H333-D336 PolarHBondContact ND1-OD2 2.9Å; H333-D336 PolarHBondContact O-N 3.21Å
334R58.4Low77.7Confident195 Ų19564.7 Ų64.774%0.73631%0.314SS*.THydrogen-bonded Turntrans-60.7-18.8-172.6-169.3174.3179.9176.4-0.7114.4Y330Y330-R334 PolarHBondContact O-N 3.44Å
335T54.1Low77.5Confident129 Ų12964 Ų6479%0.79131%0.311SS*.THydrogen-bonded Turntrans-82.7-15.5178.248.10000113.8H333H333-T335 PolarHBondContact O-N 2.84Å
336D54.9Low77.2Confident74 Ų7462.4 Ų62.440%0.39631%0.305SS..SBendtrans-94.9149.7-175.7-58.7-29.7000110.6H333 N338H333-D336 IonicContact CG-OD2 2.76Å; H333-D336 IonicContact ND1-OD2 3.79Å; H333-D336 PolarHBondContact ND1-OD2 2.9Å; H333-D336 PolarHBondContact O-N 3.21Å; D336-N338 HydrophobicContact CB-CB 4.42Å; D336-N338 VanDerWaalsContact CB-ND2 3.33Å; D336-N338 WeakPolarHBondContact CB-ND2 3.28Å; D336-N338 PolarHBondContact O-N 3.24Å
337Y57.2Low77Confident179 Ų17967.6 Ų67.670%0.70233%0.327SS*.  trans-64.828179.2-68.4-90.5000114.5S339Y337-S339 PolarHBondContact O-N 3.46Å
338N62.7Low76.7Confident9 Ų967.5 Ų67.55%0.04833%0.328CS..  trans-92.1107.4-165.3-57.9-7.9000109.3D336 R342 M459D336-N338 HydrophobicContact CB-CB 4.42Å; D336-N338 VanDerWaalsContact CB-ND2 3.33Å; D336-N338 WeakPolarHBondContact CB-ND2 3.28Å; D336-N338 PolarHBondContact O-N 3.24Å; N338-R342 PolarHBondContact ND2-NH2 3.48Å; N338-R342 PolarHBondContact OD1-NH2 2.96Å; N338-M459 HydrophobicContact CB-CE 4.45Å; N338-M459 WeakPolarHBondContact ND2-CE 3.49Å
339S75.6Confident76.8Confident62 Ų6262 Ų6243%0.43430%0.304SS..  trans-67.5145.6173.266.80000111Y337 D341 R342 I343Y337-S339 PolarHBondContact O-N 3.46Å; S339-D341 PolarHBondContact O-N 3Å; S339-D341 VanDerWaalsContact O-N 3.16Å; S339-R342 PolarHBondContact O-N 2.95Å; S339-R342 PolarHBondContact OG-N 3.18Å; S339-I343 PolarHBondContact O-N 2.95Å
340L83.2Confident76.9Confident1 Ų161.1 Ų61.11%0.00530%0.297CS..Hα-helixtrans-52.9-36.4174.1-177.364000111.2Y257 C326 Y330 R342 I343 M344Y257-L340 HydrophobicContact CD2-CD2 4.28Å; Y257-L340 HydrophobicContact CE1-CD2 4.29Å; Y257-L340 HydrophobicContact CE2-CD2 3.66Å; Y257-L340 WeakPolarHBondContact OH-CB 3.36Å; C326-L340 HydrophobicContact CB-CD1 4.46Å; Y330-L340 HydrophobicContact CD2-CB 4.44Å; Y330-L340 HydrophobicContact CG-CD1 4.39Å; L340-R342 VanDerWaalsContact C-N 3.31Å; L340-R342 PolarHBondContact O-N 3.34Å; L340-I343 PolarHBondContact O-N 3.26Å; L340-M344 HydrophobicContact CD1-CG 4.47Å; L340-M344 HydrophobicContact CD2-SD 4.25Å; L340-M344 HydrophobicContact CG-CG 4.28Å; L340-M344 HydrophobicContact CG-SD 3.89Å; L340-M344 WeakPolarHBondContact O-CB 3.43Å; L340-M344 WeakPolarHBondContact O-CG 3.07Å; L340-M344 PolarHBondContact O-N 3.08Å
341D83.2Confident76.8Confident50 Ų5059.1 Ų59.127%0.26729%0.29SS..Hα-helixtrans-58.6-41.1179.5-58-4.6000111.9T249 S339 M344 A345 L407T249-D341 WeakPolarHBondContact CB-OD1 3.44Å; T249-D341 WeakPolarHBondContact CB-OD2 3.3Å; T249-D341 WeakPolarHBondContact CG2-OD1 3.45Å; T249-D341 WeakPolarHBondContact CG2-OD2 3.44Å; T249-D341 PolarHBondContact OG1-OD1 3.1Å; T249-D341 PolarHBondContact OG1-OD2 3.4Å; S339-D341 PolarHBondContact O-N 3Å; S339-D341 VanDerWaalsContact O-N 3.16Å; D341-M344 PolarHBondContact O-N 3.23Å; D341-A345 WeakPolarHBondContact O-CB 3.41Å; D341-A345 PolarHBondContact O-N 2.73Å; D341-L407 HydrophobicContact CB-CD2 4.43Å
342R81.6Confident77.1Confident39 Ų3954.2 Ų54.215%0.14727%0.268CS..Hα-helixtrans-71.3-37178.7-159.4177.670.7-154.8-3.1112N338 S339 L340 A345 S346 Y457N338-R342 PolarHBondContact ND2-NH2 3.48Å; N338-R342 PolarHBondContact OD1-NH2 2.96Å; S339-R342 PolarHBondContact O-N 2.95Å; S339-R342 PolarHBondContact OG-N 3.18Å; L340-R342 VanDerWaalsContact C-N 3.31Å; L340-R342 PolarHBondContact O-N 3.34Å; R342-A345 PolarHBondContact O-N 2.81Å; R342-S346 PolarHBondContact O-N 3.14Å; R342-S346 PolarHBondContact O-OG 3.36Å; R342-Y457 PolarHBondContact NH1-O 2.83Å; R342-Y457 PolarHBondContact NH2-O 3Å
343I85.9Confident77.5Confident1 Ų148.9 Ų48.91%0.00524%0.235CC..Hα-helixtrans-67.1-41.4175.2-59.7173.6000110.5C326 V329 Y330 S339 L340 A345 S346 K347 M459C326-I343 HydrophobicContact CB-CG2 3.97Å; V329-I343 HydrophobicContact CB-CG2 4.11Å; V329-I343 HydrophobicContact CG1-CD1 4.35Å; V329-I343 HydrophobicContact CG1-CG2 4.11Å; Y330-I343 HydrophobicContact CD2-CD1 3.92Å; Y330-I343 HydrophobicContact CG-CD1 4.36Å; S339-I343 PolarHBondContact O-N 2.95Å; L340-I343 PolarHBondContact O-N 3.26Å; I343-A345 VanDerWaalsContact C-N 3.33Å; I343-A345 PolarHBondContact O-N 3.48Å; I343-S346 PolarHBondContact O-N 2.79Å; I343-S346 PolarHBondContact O-OG 3.38Å; I343-S346 VanDerWaalsContact O-OG 3.07Å; I343-K347 WeakPolarHBondContact O-CB 3.38Å; I343-K347 WeakPolarHBondContact O-CG 3.2Å; I343-K347 PolarHBondContact O-N 3.47Å; I343-M459 HydrophobicContact CG1-CE 4.49Å
344M87.7Confident78.2Confident0 Ų045.6 Ų45.60%022%0.22CC..Hα-helixtrans-63.1-40.8175.4-73.2174.669.500111.4L256 L323 C326 L340 D341 G348 M349 L403 L407L256-M344 HydrophobicContact CD2-CE 4.49Å; L323-M344 HydrophobicContact CD1-CE 4.29Å; L323-M344 HydrophobicContact CD1-SD 4.12Å; C326-M344 HydrophobicContact CB-CG 4.27Å; L340-M344 HydrophobicContact CD1-CG 4.47Å; L340-M344 HydrophobicContact CD2-SD 4.25Å; L340-M344 HydrophobicContact CG-CG 4.28Å; L340-M344 HydrophobicContact CG-SD 3.89Å; L340-M344 WeakPolarHBondContact O-CB 3.43Å; L340-M344 WeakPolarHBondContact O-CG 3.07Å; L340-M344 PolarHBondContact O-N 3.08Å; D341-M344 PolarHBondContact O-N 3.23Å; M344-G348 PolarHBondContact O-N 3.06Å; M344-M349 HydrophobicContact CB-CB 3.99Å; M344-M349 HydrophobicContact CB-CG 4.4Å; M344-M349 HydrophobicContact CE-CE 4.25Å; M344-M349 HydrophobicContact CE-CG 3.77Å; M344-M349 WeakPolarHBondContact O-CB 3.31Å; M344-M349 PolarHBondContact O-N 3.15Å; M344-L403 HydrophobicContact CE-CD1 4.09Å; M344-L403 HydrophobicContact CE-CD2 4.18Å; M344-L407 HydrophobicContact CB-CD1 4.19Å; M344-L407 HydrophobicContact CB-CD2 3.81Å; M344-L407 HydrophobicContact CE-CD1 4.1Å
345A84.7Confident79.5Confident7 Ų736.3 Ų36.36%0.05819%0.185CC..Hα-helixtrans-62.5-49.617500000112D341 R342 I343 K347 G348 T410D341-A345 WeakPolarHBondContact O-CB 3.41Å; D341-A345 PolarHBondContact O-N 2.73Å; R342-A345 PolarHBondContact O-N 2.81Å; I343-A345 VanDerWaalsContact C-N 3.33Å; I343-A345 PolarHBondContact O-N 3.48Å; A345-K347 VanDerWaalsContact C-N 3.3Å; A345-K347 PolarHBondContact O-N 3.43Å; A345-G348 PolarHBondContact O-N 2.77Å; A345-T410 WeakPolarHBondContact O-CG2 3.26Å
346S82.2Confident81.1Confident35 Ų3530.1 Ų30.125%0.24515%0.148CC..Hα-helixtrans-64.7-32.6-178.469.60000113R342 I343 G348 M459R342-S346 PolarHBondContact O-N 3.14Å; R342-S346 PolarHBondContact O-OG 3.36Å; I343-S346 PolarHBondContact O-N 2.79Å; I343-S346 PolarHBondContact O-OG 3.38Å; I343-S346 VanDerWaalsContact O-OG 3.07Å; S346-G348 PolarHBondContact O-N 3.29Å; S346-M459 WeakPolarHBondContact CB-O 3.38Å
347K84.6Confident82.7Confident109 Ų10928.4 Ų28.447%0.47414%0.137SC..THydrogen-bonded Turntrans-819174.9-67.1-64.4-175.9-174.30114.2K322 I343 A345 M349K322-K347 WeakPolarHBondContact CE-O 3.05Å; K322-K347 PolarHBondContact NZ-O 3.16Å; I343-K347 WeakPolarHBondContact O-CB 3.38Å; I343-K347 WeakPolarHBondContact O-CG 3.2Å; I343-K347 PolarHBondContact O-N 3.47Å; A345-K347 VanDerWaalsContact C-N 3.3Å; A345-K347 PolarHBondContact O-N 3.43Å; K347-M349 VanDerWaalsContact C-N 3.31Å; K347-M349 PolarHBondContact O-N 2.68Å
348G83.3Confident83.9Confident4 Ų422 Ų224%0.04111%0.114CC..THydrogen-bonded Turntrans70.324.5176.100000114K322 M344 A345 S346 R350 H351 F352K322-G348 PolarHBondContact NZ-O 3.42Å; K322-G348 VanDerWaalsContact NZ-O 3.1Å; M344-G348 PolarHBondContact O-N 3.06Å; A345-G348 PolarHBondContact O-N 2.77Å; S346-G348 PolarHBondContact O-N 3.29Å; G348-R350 PolarHBondContact O-N 2.79Å; G348-H351 PolarHBondContact O-N 3.15Å; G348-F352 PolarHBondContact O-N 2.65Å
349M88.1Confident84.8Confident0 Ų021.9 Ų21.90%011%0.113CC..Hα-helixtrans-63.1-31.4177.3-17265.4104.900111.7F319 K322 L323 M344 K347 F352 C353 L407F319-M349 HydrophobicContact CD2-CE 3.72Å; F319-M349 HydrophobicContact CD2-SD 3.56Å; F319-M349 VanDerWaalsContact CD2-SD 3.56Å; F319-M349 HydrophobicContact CE2-CE 3.49Å; F319-M349 VanDerWaalsContact CE2-CE 3.49Å; F319-M349 HydrophobicContact CE2-CG 4.19Å; F319-M349 HydrophobicContact CE2-SD 3.56Å; F319-M349 VanDerWaalsContact CE2-SD 3.56Å; F319-M349 HydrophobicContact CZ-CE 4.24Å; K322-M349 HydrophobicContact CB-CE 4.06Å; K322-M349 HydrophobicContact CB-SD 4.27Å; K322-M349 HydrophobicContact CD-SD 3.99Å; K322-M349 HydrophobicContact CG-CE 4.15Å; K322-M349 HydrophobicContact CG-SD 4.06Å; L323-M349 HydrophobicContact CB-CE 3.69Å; L323-M349 HydrophobicContact CD1-CE 4.32Å; M344-M349 HydrophobicContact CB-CB 3.99Å; M344-M349 HydrophobicContact CB-CG 4.4Å; M344-M349 HydrophobicContact CE-CE 4.25Å; M344-M349 HydrophobicContact CE-CG 3.77Å; M344-M349 WeakPolarHBondContact O-CB 3.31Å; M344-M349 PolarHBondContact O-N 3.15Å; K347-M349 VanDerWaalsContact C-N 3.31Å; K347-M349 PolarHBondContact O-N 2.68Å; M349-F352 PolarHBondContact O-N 2.96Å; M349-F352 HydrophobicContact SD-CD1 4.37Å; M349-C353 WeakPolarHBondContact O-CB 3.42Å; M349-C353 PolarHBondContact O-N 3.09Å; M349-C353 PolarHBondContact O-SG 3.24Å; M349-L407 HydrophobicContact CB-CD1 3.96Å; M349-L407 HydrophobicContact CG-CD1 3.97Å
350R87.6Confident85.5Confident19 Ų1918.9 Ų18.97%0.0729%0.092CC..Hα-helixtrans-56.3-53.9175.7-174.4-169.7162.9-103.6-9.3112G348 F352 C353 L354 G404 L407 G408 D496 L627 H628G348-R350 PolarHBondContact O-N 2.79Å; R350-F352 VanDerWaalsContact C-N 3.32Å; R350-F352 PolarHBondContact O-N 2.65Å; R350-C353 PolarHBondContact O-N 3.13Å; R350-L354 HydrophobicContact CG-CD1 4.19Å; R350-L354 WeakPolarHBondContact O-CG 3.44Å; R350-L354 PolarHBondContact O-N 3.12Å; R350-G404 VanDerWaalsContact CG-O 3.26Å; R350-G404 WeakPolarHBondContact CG-O 3.44Å; R350-G404 PolarHBondContact NE-O 3.32Å; R350-L407 HydrophobicContact CB-CB 3.92Å; R350-L407 WeakPolarHBondContact CD-O 3.43Å; R350-L407 HydrophobicContact CG-CB 4.28Å; R350-G408 WeakPolarHBondContact CD-O 3.43Å; R350-D496 IonicContact NH1-OD2 2.9Å; R350-L627 VanDerWaalsContact NH1-CB 3.32Å; R350-L627 VanDerWaalsContact NH2-CB 3.34Å; R350-L627 PolarHBondContact NH2-O 3.12Å; R350-H628 PolarHBondContact NH1-O 3.05Å; R350-H628 PolarHBondContact NH2-O 2.93Å; R350-H628 VanDerWaalsContact NH2-O 3.08Å
351H84.4Confident85.8Confident20 Ų2023.1 Ų23.19%0.09311%0.111CC..Hα-helixtrans-62.9-41.9-178-174.974.8000111.3G348 L354 I355G348-H351 PolarHBondContact O-N 3.15Å; H351-L354 PolarHBondContact O-N 3.27Å; H351-I355 VanDerWaalsContact NE2-CD1 3.34Å; H351-I355 WeakPolarHBondContact NE2-CD1 3.42Å; H351-I355 WeakPolarHBondContact O-CG1 3.36Å; H351-I355 PolarHBondContact O-N 3.47Å; H351-I355 VanDerWaalsContact O-N 3.15Å
352F87.4Confident86Confident15 Ų1521.7 Ų21.77%0.06610%0.102CC..Hα-helixtrans-56-51.9172.5-177.8-85.4000111.1T315 F319 K322 G348 M349 R350 L354 I355 S356 F400 H638T315-F352 HydrophobicContact CG2-CZ 4.35Å; F319-F352 HydrophobicContact CB-CE1 3.68Å; F319-F352 HydrophobicContact CB-CZ 4.27Å; F319-F352 HydrophobicContact CD2-CD1 4.28Å; F319-F352 HydrophobicContact CD2-CE1 4.21Å; F319-F352 HydrophobicContact CG-CE1 4.44Å; K322-F352 HydrophobicContact CD-CB 4.3Å; K322-F352 HydrophobicContact CD-CG 4.36Å; G348-F352 PolarHBondContact O-N 2.65Å; M349-F352 PolarHBondContact O-N 2.96Å; M349-F352 HydrophobicContact SD-CD1 4.37Å; R350-F352 VanDerWaalsContact C-N 3.32Å; R350-F352 PolarHBondContact O-N 2.65Å; F352-L354 PolarHBondContact O-N 2.99Å; F352-I355 PolarHBondContact O-N 3.08Å; F352-S356 WeakPolarHBondContact CD1-OG 3.47Å; F352-S356 WeakPolarHBondContact CE1-OG 3.43Å; F352-S356 WeakPolarHBondContact O-CB 3.06Å; F352-S356 PolarHBondContact O-N 3.06Å; F352-S356 PolarHBondContact O-OG 2.9Å; F352-F400 HydrophobicContact CE1-CE1 4.09Å; F352-H638 AromaticContact CD2-CE1 3.85Å; F352-H638 AromaticContact CE2-CE1 3.91Å
353C89.5Confident86.5Confident0 Ų019.8 Ų19.80%010%0.095CC..Hα-helixtrans-60.5-41.2-179.3-66.40000112.8M349 R350 I355 S356 E357 F400M349-C353 WeakPolarHBondContact O-CB 3.42Å; M349-C353 PolarHBondContact O-N 3.09Å; M349-C353 PolarHBondContact O-SG 3.24Å; R350-C353 PolarHBondContact O-N 3.13Å; C353-I355 VanDerWaalsContact C-N 3.34Å; C353-I355 PolarHBondContact O-N 3.39Å; C353-S356 PolarHBondContact O-N 3.43Å; C353-E357 WeakPolarHBondContact O-CB 3.27Å; C353-E357 PolarHBondContact O-N 3.19Å; C353-F400 HydrophobicContact CB-CB 4.42Å; C353-F400 HydrophobicContact CB-CD1 4.14Å; C353-F400 WeakPolarHBondContact CB-O 3.38Å
354L86.3Confident86.7Confident9 Ų920.3 Ų20.35%0.04710%0.098CC..Hα-helixtrans-65.4-35.6179.1-70.5170.8000113R350 H351 F352 L629 P630R350-L354 HydrophobicContact CG-CD1 4.19Å; R350-L354 WeakPolarHBondContact O-CG 3.44Å; R350-L354 PolarHBondContact O-N 3.12Å; H351-L354 PolarHBondContact O-N 3.27Å; F352-L354 PolarHBondContact O-N 2.99Å; L354-L629 HydrophobicContact CD1-CD2 4.25Å; L354-P630 HydrophobicContact CB-CG 3.98Å
355I84.9Confident86.9Confident0 Ų024 Ų240%012%0.117CC..Hα-helixtrans-72-47.9173.1-64.9174.8000109.5H351 F352 C353 E357 Q358 L359 P630 V635 H638H351-I355 VanDerWaalsContact NE2-CD1 3.34Å; H351-I355 WeakPolarHBondContact NE2-CD1 3.42Å; H351-I355 WeakPolarHBondContact O-CG1 3.36Å; H351-I355 PolarHBondContact O-N 3.47Å; H351-I355 VanDerWaalsContact O-N 3.15Å; F352-I355 PolarHBondContact O-N 3.08Å; C353-I355 VanDerWaalsContact C-N 3.34Å; C353-I355 PolarHBondContact O-N 3.39Å; I355-E357 VanDerWaalsContact C-N 3.32Å; I355-E357 PolarHBondContact O-N 3.23Å; I355-Q358 WeakPolarHBondContact O-CB 3.26Å; I355-Q358 PolarHBondContact O-N 2.89Å; I355-L359 PolarHBondContact O-N 3.01Å; I355-P630 HydrophobicContact CD1-CB 4.18Å; I355-P630 HydrophobicContact CG1-CB 3.63Å; I355-P630 HydrophobicContact CG1-CG 4.04Å; I355-V635 HydrophobicContact CG1-CG2 4.41Å; I355-H638 HydrophobicContact CD1-CB 3.95Å; I355-H638 HydrophobicContact CG2-CB 4.45Å
356S88.2Confident87.4Confident0 Ų023.7 Ų23.70%012%0.115CC..Hα-helixtrans-60.2-37.5-178.7-62.30000113.3T315 F352 C353 Q358 L359 V360T315-S356 VanDerWaalsContact CG2-CB 3.41Å; T315-S356 WeakPolarHBondContact CG2-OG 3.31Å; F352-S356 WeakPolarHBondContact CD1-OG 3.47Å; F352-S356 WeakPolarHBondContact CE1-OG 3.43Å; F352-S356 WeakPolarHBondContact O-CB 3.06Å; F352-S356 PolarHBondContact O-N 3.06Å; F352-S356 PolarHBondContact O-OG 2.9Å; C353-S356 PolarHBondContact O-N 3.43Å; S356-Q358 PolarHBondContact O-N 3.37Å; S356-L359 WeakPolarHBondContact O-CB 3.28Å; S356-L359 PolarHBondContact O-N 3.04Å; S356-V360 WeakPolarHBondContact O-CG2 3.21Å; S356-V360 PolarHBondContact O-N 3.41Å
357E88.1Confident88Confident38 Ų3822 Ų2218%0.17810%0.103CC..Hα-helixtrans-50.9-47.1175.3179.7-171161.400111.2C353 I355 L359 V360 F361 H397 F400 H401C353-E357 WeakPolarHBondContact O-CB 3.27Å; C353-E357 PolarHBondContact O-N 3.19Å; I355-E357 VanDerWaalsContact C-N 3.32Å; I355-E357 PolarHBondContact O-N 3.23Å; E357-L359 VanDerWaalsContact C-N 3.32Å; E357-L359 PolarHBondContact O-N 3.25Å; E357-V360 PolarHBondContact O-N 2.96Å; E357-F361 PolarHBondContact O-N 3.4Å; E357-H397 PolarHBondContact O-CD2 3.44Å; E357-F400 HydrophobicContact CB-CB 4.05Å; E357-H401 HydrophobicContact CG-CB 4.05Å; E357-H401 IonicContact OE1-CE1 2.91Å; E357-H401 IonicContact OE1-CG 3.33Å; E357-H401 IonicContact OE1-ND1 3.9Å; E357-H401 PolarHBondContact OE1-ND1 3.38Å; E357-H401 WeakPolarHBondContact OE2-CA 3.35Å; E357-H401 IonicContact OE2-CG 3.93Å; E357-H401 IonicContact OE2-ND1 3.39Å; E357-H401 PolarHBondContact OE2-ND1 3.37Å
358Q82Confident88.4Confident45 Ų4518.9 Ų18.921%0.2110%0.097CC..Hα-helixtrans-64.1-39.1-179.8-59.1177-4.100111.7I355 S356 F361 F362I355-Q358 WeakPolarHBondContact O-CB 3.26Å; I355-Q358 PolarHBondContact O-N 2.89Å; S356-Q358 PolarHBondContact O-N 3.37Å; Q358-F361 PolarHBondContact O-N 2.99Å; Q358-F362 WeakPolarHBondContact O-CD2 3.03Å
359L83.1Confident88.9Confident5 Ų521.2 Ų21.23%0.02611%0.108CC..Hα-helixtrans-67-45.5179.3-56.1-178.3000111.6I311 I355 S356 E357 F361 F362 S363 W639 F643I311-L359 HydrophobicContact CG2-CB 4.24Å; I311-L359 HydrophobicContact CG2-CD1 4.14Å; I355-L359 PolarHBondContact O-N 3.01Å; S356-L359 WeakPolarHBondContact O-CB 3.28Å; S356-L359 PolarHBondContact O-N 3.04Å; E357-L359 VanDerWaalsContact C-N 3.32Å; E357-L359 PolarHBondContact O-N 3.25Å; L359-F361 VanDerWaalsContact C-N 3.27Å; L359-F361 PolarHBondContact O-N 3.44Å; L359-F362 PolarHBondContact O-N 3.06Å; L359-S363 PolarHBondContact O-N 3.19Å; L359-W639 HydrophobicContact CD2-CE3 3.52Å; L359-W639 HydrophobicContact CD2-CH2 3.6Å; L359-W639 HydrophobicContact CD2-CZ3 2.97Å; L359-W639 HydrophobicContact CG-CZ3 4.44Å; L359-F643 HydrophobicContact CD1-CE2 3.73Å; L359-F643 HydrophobicContact CD1-CZ 3.74Å
360V89.4Confident89.2Confident0 Ų021.2 Ų21.20%011%0.108CC..Hα-helixtrans-68-29.6178.9-178.70000111.4F312 S356 E357 F362 S363 L364 A396 H397 F400F312-V360 HydrophobicContact CD2-CB 4.24Å; F312-V360 HydrophobicContact CD2-CG1 3.76Å; F312-V360 HydrophobicContact CD2-CG2 3.76Å; F312-V360 HydrophobicContact CE2-CB 4.44Å; F312-V360 HydrophobicContact CE2-CG1 3.59Å; F312-V360 HydrophobicContact CE2-CG2 4.05Å; S356-V360 WeakPolarHBondContact O-CG2 3.21Å; S356-V360 PolarHBondContact O-N 3.41Å; E357-V360 PolarHBondContact O-N 2.96Å; V360-F362 PolarHBondContact O-N 3.06Å; V360-S363 PolarHBondContact O-N 3.29Å; V360-S363 PolarHBondContact O-OG 3Å; V360-L364 PolarHBondContact O-N 3.46Å; V360-L364 VanDerWaalsContact O-N 3.13Å; V360-A396 HydrophobicContact CG1-CB 4.27Å; V360-H397 HydrophobicContact CB-CB 4.43Å; V360-H397 HydrophobicContact CG1-CB 3.81Å; V360-F400 HydrophobicContact CG2-CD2 3.67Å; V360-F400 HydrophobicContact CG2-CE2 3.64Å
361F88.8Confident89.4Confident90 Ų9020.3 Ų20.340%0.39510%0.104SC..Hα-helixtrans-60.3-36173.1-174.8-100.4000112.5E357 Q358 L359 L364 L365E357-F361 PolarHBondContact O-N 3.4Å; Q358-F361 PolarHBondContact O-N 2.99Å; L359-F361 VanDerWaalsContact C-N 3.27Å; L359-F361 PolarHBondContact O-N 3.44Å; F361-L364 PolarHBondContact O-N 3.13Å; F361-L365 PolarHBondContact O-N 3.18Å; F361-L365 VanDerWaalsContact O-N 3.08Å
362F87.8Confident89.7Confident19 Ų1922.7 Ų22.78%0.08313%0.128CC..Hα-helixtrans-69.7-34.1175-73.6-71.1000113.5Q358 L359 V360 L364 L365 A366 L653 A654 L657Q358-F362 WeakPolarHBondContact O-CD2 3.03Å; L359-F362 PolarHBondContact O-N 3.06Å; V360-F362 PolarHBondContact O-N 3.06Å; F362-L364 VanDerWaalsContact C-N 3.34Å; F362-L365 PolarHBondContact O-N 3.42Å; F362-A366 VanDerWaalsContact O-CB 3.31Å; F362-A366 WeakPolarHBondContact O-CB 3.29Å; F362-A366 PolarHBondContact O-N 3.21Å; F362-L653 HydrophobicContact CE1-CB 4.44Å; F362-L653 HydrophobicContact CE1-CD2 3.86Å; F362-L653 HydrophobicContact CZ-CB 4.31Å; F362-L653 HydrophobicContact CZ-CD2 4.47Å; F362-A654 HydrophobicContact CE2-CB 3.69Å; F362-A654 HydrophobicContact CZ-CB 4.2Å; F362-L657 HydrophobicContact CE1-CD1 3.65Å; F362-L657 HydrophobicContact CZ-CD1 3.5Å
363S91.6Very high89.8Confident0 Ų024.4 Ų24.40%014%0.139CC..Hα-helixtrans-63.1-45.4174.274.10000110.4H309 L359 V360 L365 A366 T367 E393H309-S363 PolarHBondContact CE1-O 3.44Å; L359-S363 PolarHBondContact O-N 3.19Å; V360-S363 PolarHBondContact O-N 3.29Å; V360-S363 PolarHBondContact O-OG 3Å; S363-L365 VanDerWaalsContact C-N 3.34Å; S363-L365 PolarHBondContact O-N 2.89Å; S363-A366 CarbonylContact O-C 3.59Å; S363-A366 WeakPolarHBondContact O-CA 3.3Å; S363-A366 WeakPolarHBondContact O-CB 3.19Å; S363-A366 PolarHBondContact O-N 3.32Å; S363-A366 VanDerWaalsContact O-N 3.08Å; S363-T367 PolarHBondContact O-N 3.17Å; S363-T367 PolarHBondContact O-OG1 3.43Å; S363-E393 WeakPolarHBondContact CB-OE2 3.36Å; S363-E393 PolarHBondContact OG-OE2 2.81Å
364L91.9Very high89.8Confident12 Ų1224.4 Ų24.46%0.06314%0.14CC..Hα-helixtrans-57.4-47.5177.4-91.6156.8000111.8L200 V360 F361 F362 T367 A368 E393 H397L200-L364 HydrophobicContact CD1-CD1 3.6Å; L200-L364 HydrophobicContact CD1-CD2 4.46Å; V360-L364 PolarHBondContact O-N 3.46Å; V360-L364 VanDerWaalsContact O-N 3.13Å; F361-L364 PolarHBondContact O-N 3.13Å; F362-L364 VanDerWaalsContact C-N 3.34Å; L364-T367 PolarHBondContact O-N 3.08Å; L364-A368 PolarHBondContact O-N 3.08Å; L364-E393 WeakPolarHBondContact CA-OE2 3.44Å; L364-E393 HydrophobicContact CD1-CB 4.44Å; L364-E393 HydrophobicContact CD2-CB 3.67Å; L364-E393 HydrophobicContact CG-CB 3.68Å; L364-E393 PolarHBondContact N-OE2 2.93Å; L364-H397 HydrophobicContact CD1-CB 3.7Å
365L91.7Very high90Very high76 Ų7627.3 Ų27.340%0.39815%0.15SC..Hα-helixtrans-63.5-42.7177.4-177.661.8000111.3F361 F362 S363 T367 A368 I369F361-L365 PolarHBondContact O-N 3.18Å; F361-L365 VanDerWaalsContact O-N 3.08Å; F362-L365 PolarHBondContact O-N 3.42Å; S363-L365 VanDerWaalsContact C-N 3.34Å; S363-L365 PolarHBondContact O-N 2.89Å; L365-T367 VanDerWaalsContact C-N 3.33Å; L365-T367 PolarHBondContact O-N 3.43Å; L365-A368 PolarHBondContact O-N 3.38Å; L365-I369 HydrophobicContact CD1-CD1 4.08Å; L365-I369 HydrophobicContact CD1-CG1 4.35Å; L365-I369 HydrophobicContact CG-CD1 3.86Å; L365-I369 VanDerWaalsContact O-CG1 3.25Å; L365-I369 WeakPolarHBondContact O-CG1 3.25Å; L365-I369 PolarHBondContact O-N 2.98Å
366A93.9Very high90.2Very high2 Ų228.2 Ų28.22%0.01715%0.154CC..Hα-helixtrans-61.8-41.3176.800000111.6F304 W305 C308 F362 S363 I369 L370F304-A366 HydrophobicContact CD1-CB 3.89Å; F304-A366 HydrophobicContact CE1-CB 3.73Å; W305-A366 HydrophobicContact CB-CB 4.41Å; C308-A366 HydrophobicContact CB-CB 4.21Å; F362-A366 VanDerWaalsContact O-CB 3.31Å; F362-A366 WeakPolarHBondContact O-CB 3.29Å; F362-A366 PolarHBondContact O-N 3.21Å; S363-A366 CarbonylContact O-C 3.59Å; S363-A366 WeakPolarHBondContact O-CA 3.3Å; S363-A366 WeakPolarHBondContact O-CB 3.19Å; S363-A366 PolarHBondContact O-N 3.32Å; S363-A366 VanDerWaalsContact O-N 3.08Å; A366-I369 PolarHBondContact O-N 3.37Å; A366-L370 VanDerWaalsContact O-CB 3.31Å; A366-L370 WeakPolarHBondContact O-CB 3.13Å; A366-L370 PolarHBondContact O-N 3.45Å
367T95.3Very high89.9Confident0 Ų031.7 Ų31.70%018%0.177CC..Hα-helixtrans-65.2-42.9176.1-71.20000111.7F277 W305 H309 S363 L364 L365 I369 L370 G371 F386 V389 L390 E393F277-T367 HydrophobicContact CE1-CG2 4.02Å; F277-T367 HydrophobicContact CZ-CG2 4.32Å; W305-T367 PolarHBondContact NE1-OG1 2.89Å; H309-T367 PolarHBondContact CE1-OG1 2.73Å; H309-T367 PolarHBondContact NE2-OG1 3.49Å; H309-T367 VanDerWaalsContact NE2-OG1 3.07Å; S363-T367 PolarHBondContact O-N 3.17Å; S363-T367 PolarHBondContact O-OG1 3.43Å; L364-T367 PolarHBondContact O-N 3.08Å; L365-T367 VanDerWaalsContact C-N 3.33Å; L365-T367 PolarHBondContact O-N 3.43Å; T367-I369 PolarHBondContact O-N 2.81Å; T367-L370 PolarHBondContact O-N 3.4Å; T367-G371 PolarHBondContact O-N 2.81Å; T367-F386 HydrophobicContact CG2-CD2 4.42Å; T367-F386 HydrophobicContact CG2-CE2 4.23Å; T367-V389 HydrophobicContact CG2-CB 4.47Å; T367-V389 HydrophobicContact CG2-CG1 3.75Å; T367-L390 HydrophobicContact CG2-CD2 4.23Å; T367-E393 VanDerWaalsContact CB-OE1 3.23Å; T367-E393 WeakPolarHBondContact CB-OE1 3.49Å; T367-E393 PolarHBondContact OG1-OE1 3.5Å
368A93.5Very high89.6Confident42 Ų4236.1 Ų36.135%0.34721%0.206SC..Hα-helixtrans-61.5-43.7175.400000112.1L364 L365 A372L364-A368 PolarHBondContact O-N 3.08Å; L365-A368 PolarHBondContact O-N 3.38Å; A368-A372 WeakPolarHBondContact O-CB 3.43Å; A368-A372 PolarHBondContact O-N 3.06Å
369I93.2Very high89.9Confident53 Ų5335.5 Ų35.527%0.27220%0.204SC..Hα-helixtrans-66.5-48.2177.8-66.6166.4000110.9F301 L365 A366 T367 G371 A372 V373F301-I369 HydrophobicContact CB-CG2 4.38Å; F301-I369 HydrophobicContact CD1-CG2 3.39Å; F301-I369 HydrophobicContact CD2-CG2 4.29Å; F301-I369 HydrophobicContact CE1-CG2 3.59Å; F301-I369 HydrophobicContact CE2-CG2 4.46Å; F301-I369 HydrophobicContact CG-CG2 3.77Å; F301-I369 HydrophobicContact CZ-CG2 4.13Å; L365-I369 HydrophobicContact CD1-CD1 4.08Å; L365-I369 HydrophobicContact CD1-CG1 4.35Å; L365-I369 HydrophobicContact CG-CD1 3.86Å; L365-I369 VanDerWaalsContact O-CG1 3.25Å; L365-I369 WeakPolarHBondContact O-CG1 3.25Å; L365-I369 PolarHBondContact O-N 2.98Å; A366-I369 PolarHBondContact O-N 3.37Å; T367-I369 PolarHBondContact O-N 2.81Å; I369-G371 VanDerWaalsContact C-N 3.32Å; I369-G371 PolarHBondContact O-N 3.36Å; I369-A372 PolarHBondContact O-N 3.31Å; I369-V373 HydrophobicContact CG2-CG2 4.35Å; I369-V373 WeakPolarHBondContact O-CG2 3.48Å; I369-V373 PolarHBondContact O-N 2.94Å
370L94.1Very high90.1Very high0 Ų035.6 Ų35.60%021%0.207CC..Hα-helixtrans-62-42.6178.9-175.763.1000110.8F277 F278 F298 F301 W305 A366 T367 A372 V373 S374F277-L370 HydrophobicContact CE1-CD2 4.12Å; F278-L370 HydrophobicContact CD2-CD2 3.87Å; F278-L370 HydrophobicContact CE2-CD2 4.34Å; F298-L370 HydrophobicContact CD2-CD1 3.93Å; F298-L370 HydrophobicContact CE2-CD1 3.87Å; F301-L370 HydrophobicContact CB-CD1 4.48Å; W305-L370 HydrophobicContact CB-CD2 3.93Å; W305-L370 HydrophobicContact CD2-CD2 3.82Å; W305-L370 HydrophobicContact CG-CB 4.41Å; W305-L370 HydrophobicContact CG-CD2 3.5Å; W305-L370 VanDerWaalsContact CG-CD2 3.5Å; A366-L370 VanDerWaalsContact O-CB 3.31Å; A366-L370 WeakPolarHBondContact O-CB 3.13Å; A366-L370 PolarHBondContact O-N 3.45Å; T367-L370 PolarHBondContact O-N 3.4Å; L370-A372 VanDerWaalsContact C-N 3.33Å; L370-A372 PolarHBondContact O-N 2.85Å; L370-V373 PolarHBondContact O-N 3.35Å; L370-S374 VanDerWaalsContact O-CB 3.22Å; L370-S374 WeakPolarHBondContact O-CB 3.36Å; L370-S374 PolarHBondContact O-N 3.4Å; L370-S374 PolarHBondContact O-OG 2.95Å
371G92.1Very high90.2Very high0 Ų037.3 Ų37.30%022%0.215CC..Hα-helixtrans-59.7-41.2174.900000113T367 I369 W375T367-G371 PolarHBondContact O-N 2.81Å; I369-G371 VanDerWaalsContact C-N 3.32Å; I369-G371 PolarHBondContact O-N 3.36Å; G371-W375 WeakPolarHBondContact O-CA 3.5Å; G371-W375 PolarHBondContact O-N 3.42Å
372A90.5Very high90.3Very high70 Ų7033 Ų3358%0.57920%0.197SC*.Hα-helixtrans-68.7-42.4177.100000112.8A368 I369 L370 W375A368-A372 WeakPolarHBondContact O-CB 3.43Å; A368-A372 PolarHBondContact O-N 3.06Å; I369-A372 PolarHBondContact O-N 3.31Å; L370-A372 VanDerWaalsContact C-N 3.33Å; L370-A372 PolarHBondContact O-N 2.85Å; A372-W375 WeakPolarHBondContact O-CB 3.23Å; A372-W375 PolarHBondContact O-N 3.45Å
373V90.1Very high90.5Very high51 Ų5132.1 Ų32.131%0.30919%0.193SC..Hα-helixtrans-71.3-37.7179.3172.90000111.5F301 I369 L370 W375F301-V373 HydrophobicContact CD2-CB 4.38Å; F301-V373 HydrophobicContact CD2-CG1 4.24Å; F301-V373 HydrophobicContact CD2-CG2 3.65Å; F301-V373 HydrophobicContact CE2-CG2 3.84Å; F301-V373 HydrophobicContact CG-CG2 4.44Å; I369-V373 HydrophobicContact CG2-CG2 4.35Å; I369-V373 WeakPolarHBondContact O-CG2 3.48Å; I369-V373 PolarHBondContact O-N 2.94Å; L370-V373 PolarHBondContact O-N 3.35Å; V373-W375 VanDerWaalsContact C-N 3.27Å; V373-W375 PolarHBondContact O-N 2.86Å
374S90.3Very high90.6Very high1 Ų132.1 Ų32.11%0.00719%0.193CC..THydrogen-bonded Turntrans-89.719.2177.8-69.40000113.4S281 F298 L370 Q376 F382S281-S374 PolarHBondContact O-OG 3.46Å; F298-S374 VanDerWaalsContact CD2-OG 3.31Å; F298-S374 WeakPolarHBondContact CD2-OG 3.5Å; L370-S374 VanDerWaalsContact O-CB 3.22Å; L370-S374 WeakPolarHBondContact O-CB 3.36Å; L370-S374 PolarHBondContact O-N 3.4Å; L370-S374 PolarHBondContact O-OG 2.95Å; S374-Q376 WeakPolarHBondContact O-CG 3.46Å; S374-Q376 PolarHBondContact O-N 2.95Å; S374-F382 VanDerWaalsContact O-CZ 3.3Å; S374-F382 WeakPolarHBondContact O-CZ 3.45Å
375W90.6Very high90.7Very high70 Ų7032 Ų3227%0.26519%0.192SC..  trans-57.1127-174.1-168.5-104.6000112.2L211 F214 G371 A372 V373 F382 L383 F386L211-W375 HydrophobicContact CD1-CH2 4.11Å; L211-W375 HydrophobicContact CD2-CH2 3.59Å; L211-W375 HydrophobicContact CD2-CZ2 4.09Å; L211-W375 HydrophobicContact CG-CH2 4.47Å; F214-W375 HydrophobicContact CD1-CZ2 4.37Å; G371-W375 WeakPolarHBondContact O-CA 3.5Å; G371-W375 PolarHBondContact O-N 3.42Å; A372-W375 WeakPolarHBondContact O-CB 3.23Å; A372-W375 PolarHBondContact O-N 3.45Å; V373-W375 VanDerWaalsContact C-N 3.27Å; V373-W375 PolarHBondContact O-N 2.86Å; W375-F382 HydrophobicContact CE3-CE1 4.22Å; W375-L383 HydrophobicContact CH2-CD1 3.52Å; W375-L383 HydrophobicContact CZ2-CD1 4.33Å; W375-L383 HydrophobicContact CZ3-CD1 4.09Å; W375-F386 HydrophobicContact CZ3-CD1 4.44Å; W375-F386 HydrophobicContact CZ3-CE1 4.48Å
376Q88.6Confident90.8Very high19 Ų1929.1 Ų29.19%0.08918%0.176CC..  trans-120102.3-179.3-72.6170.149.900109.7L280 K284 S374 T378 N379 F382L280-Q376 PolarHBondContact O-NE2 2.83Å; K284-Q376 HydrophobicContact CD-CG 4.14Å; S374-Q376 WeakPolarHBondContact O-CG 3.46Å; S374-Q376 PolarHBondContact O-N 2.95Å; Q376-T378 PolarHBondContact O-N 2.96Å; Q376-N379 HydrophobicContact CB-CB 3.83Å; Q376-N379 PolarHBondContact OE1-ND2 3.24Å; Q376-F382 HydrophobicContact CB-CB 4.39Å; Q376-F382 HydrophobicContact CB-CD1 3.89Å; Q376-F382 HydrophobicContact CB-CE1 4.47Å; Q376-F382 HydrophobicContact CB-CG 4.19Å; Q376-F382 HydrophobicContact CG-CD1 4.47Å; Q376-F382 HydrophobicContact CG-CG 4.48Å
377P81.7Confident90.8Very high73 Ų7329.2 Ų29.247%0.47418%0.177SC..THydrogen-bonded Turntrans-72.8-11.3-171.129.5-36.1000114.3S216S216-P377 WeakPolarHBondContact CA-O 3.27Å; S216-P377 VanDerWaalsContact CB-C 3.46Å; S216-P377 WeakPolarHBondContact CB-O 3.31Å; S216-P377 PolarHBondContact N-O 3.48Å
378T81.7Confident90.8Very high130 Ų13029.4 Ų29.480%0.79818%0.178SC*.THydrogen-bonded Turntrans-117.2-8.2-176.752.10000113.4Q376Q376-T378 PolarHBondContact O-N 2.96Å
379N87.4Confident90.9Very high32 Ų3227.4 Ų27.417%0.17116%0.161CC..  trans-98.596-175.1-171-12.6000110.9Q376 I381 F382 L383Q376-N379 HydrophobicContact CB-CB 3.83Å; Q376-N379 PolarHBondContact OE1-ND2 3.24Å; N379-I381 PolarHBondContact O-N 3.36Å; N379-I381 WeakPolarHBondContact OD1-CB 3.32Å; N379-I381 PolarHBondContact OD1-N 2.78Å; N379-I381 VanDerWaalsContact OD1-N 3.13Å; N379-F382 HydrophobicContact CB-CB 4.04Å; N379-F382 PolarHBondContact O-N 2.92Å; N379-F382 PolarHBondContact OD1-N 3.18Å; N379-L383 PolarHBondContact O-N 3.44Å
380G87.4Confident91Very high7 Ų725.4 Ų25.47%0.07215%0.151CC..Hα-helixtrans-61.5-28.6177.900000114.1S384G380-S384 WeakPolarHBondContact O-CB 3.43Å; G380-S384 PolarHBondContact O-N 3.12Å; G380-S384 PolarHBondContact O-OG 2.94Å
381I91.3Very high91Very high36 Ų3625.6 Ų25.619%0.18515%0.152CC..Hα-helixtrans-68.1-45.6177.5-56.1174.2000109.9L178 S179 L182 L280 N379 S384 M385L178-I381 HydrophobicContact CD2-CD1 3.68Å; L178-I381 HydrophobicContact CD2-CG1 3.72Å; L178-I381 HydrophobicContact CD2-CG2 4.07Å; S179-I381 WeakPolarHBondContact OG-CG1 3.46Å; S179-I381 PolarHBondContact OG-N 2.69Å; L182-I381 HydrophobicContact CD1-CB 4.47Å; L182-I381 HydrophobicContact CD1-CG2 3.68Å; L280-I381 HydrophobicContact CD1-CG2 3.93Å; L280-I381 HydrophobicContact CD2-CG2 4.19Å; N379-I381 PolarHBondContact O-N 3.36Å; N379-I381 WeakPolarHBondContact OD1-CB 3.32Å; N379-I381 PolarHBondContact OD1-N 2.78Å; N379-I381 VanDerWaalsContact OD1-N 3.13Å; I381-S384 PolarHBondContact O-N 3.39Å; I381-M385 WeakPolarHBondContact O-CB 3.25Å; I381-M385 WeakPolarHBondContact O-CG 3.31Å; I381-M385 PolarHBondContact O-N 2.99Å
382F92.3Very high91.1Very high0 Ų026.9 Ų26.90%016%0.159CC..Hα-helixtrans-60.2-48.9176.4171.1-96000111.4F277 L280 S281 S374 W375 Q376 N379 S384 M385 F386F277-F382 HydrophobicContact CD2-CE2 4.47Å; F277-F382 HydrophobicContact CE2-CD2 4.5Å; F277-F382 AromaticContact CE2-CE2 3.83Å; F277-F382 HydrophobicContact CE2-CE2 3.83Å; F277-F382 HydrophobicContact CE2-CZ 4.24Å; L280-F382 HydrophobicContact CB-CD2 4.25Å; S281-F382 WeakPolarHBondContact OG-CE2 3.09Å; S374-F382 VanDerWaalsContact O-CZ 3.3Å; S374-F382 WeakPolarHBondContact O-CZ 3.45Å; W375-F382 HydrophobicContact CE3-CE1 4.22Å; Q376-F382 HydrophobicContact CB-CB 4.39Å; Q376-F382 HydrophobicContact CB-CD1 3.89Å; Q376-F382 HydrophobicContact CB-CE1 4.47Å; Q376-F382 HydrophobicContact CB-CG 4.19Å; Q376-F382 HydrophobicContact CG-CD1 4.47Å; Q376-F382 HydrophobicContact CG-CG 4.48Å; N379-F382 HydrophobicContact CB-CB 4.04Å; N379-F382 PolarHBondContact O-N 2.92Å; N379-F382 PolarHBondContact OD1-N 3.18Å; F382-S384 VanDerWaalsContact C-N 3.34Å; F382-S384 PolarHBondContact O-N 2.98Å; F382-M385 PolarHBondContact O-N 3.36Å; F382-F386 WeakPolarHBondContact O-CB 3.42Å; F382-F386 PolarHBondContact O-N 3.41Å
383L91.7Very high91.3Very high1 Ų123.6 Ų23.61%0.00513%0.131CC..Hα-helixtrans-59.8-45.6178.9-178.164.4000111.6L211 S216 L217 W375 N379 M385 F386 L387L211-L383 HydrophobicContact CB-CD1 4.19Å; L211-L383 HydrophobicContact CD1-CD1 3.96Å; L211-L383 HydrophobicContact CG-CD1 4.44Å; S216-L383 WeakPolarHBondContact OG-CD2 3.32Å; L217-L383 HydrophobicContact CD1-CD2 3.57Å; L217-L383 HydrophobicContact CG-CD2 3.93Å; W375-L383 HydrophobicContact CH2-CD1 3.52Å; W375-L383 HydrophobicContact CZ2-CD1 4.33Å; W375-L383 HydrophobicContact CZ3-CD1 4.09Å; N379-L383 PolarHBondContact O-N 3.44Å; L383-M385 PolarHBondContact O-N 2.76Å; L383-F386 WeakPolarHBondContact O-CB 3.2Å; L383-F386 PolarHBondContact O-N 3.07Å; L383-L387 HydrophobicContact CG-CD1 4.23Å; L383-L387 WeakPolarHBondContact O-CG 3.16Å; L383-L387 PolarHBondContact O-N 2.83Å
384S92.6Very high91.5Very high0 Ų021.1 Ų21.10%012%0.116CC..Hα-helixtrans-64.6-41-179.4-56.60000111.5S179 L182 G380 I381 F382 L387 I388S179-S384 PolarHBondContact O-OG 2.93Å; S179-S384 VanDerWaalsContact O-OG 3.1Å; L182-S384 VanDerWaalsContact CB-CB 3.5Å; G380-S384 WeakPolarHBondContact O-CB 3.43Å; G380-S384 PolarHBondContact O-N 3.12Å; G380-S384 PolarHBondContact O-OG 2.94Å; I381-S384 PolarHBondContact O-N 3.39Å; F382-S384 VanDerWaalsContact C-N 3.34Å; F382-S384 PolarHBondContact O-N 2.98Å; S384-L387 CarbonylContact O-C 3.54Å; S384-L387 PolarHBondContact O-N 2.87Å; S384-I388 WeakPolarHBondContact O-CG1 3.21Å; S384-I388 PolarHBondContact O-N 2.91Å
385M94.6Very high91.7Very high9 Ų922.1 Ų22.14%0.04412%0.121CC..Hα-helixtrans-64.8-41.2174.9-77.2-62.5-57.300112.6L182 I273 T276 F277 L280 I381 F382 L383 L387 I388 V389L182-M385 HydrophobicContact CD1-CG 4.18Å; L182-M385 HydrophobicContact CD1-SD 4.36Å; L182-M385 HydrophobicContact CD2-SD 4.01Å; I273-M385 HydrophobicContact CG2-CE 3.71Å; I273-M385 VanDerWaalsContact O-CE 3.31Å; I273-M385 WeakPolarHBondContact O-CE 3.31Å; T276-M385 HydrophobicContact CG2-CE 3.96Å; F277-M385 HydrophobicContact CB-CE 4.45Å; L280-M385 HydrophobicContact CD1-CB 3.92Å; L280-M385 HydrophobicContact CD1-CG 3.51Å; I381-M385 WeakPolarHBondContact O-CB 3.25Å; I381-M385 WeakPolarHBondContact O-CG 3.31Å; I381-M385 PolarHBondContact O-N 2.99Å; F382-M385 PolarHBondContact O-N 3.36Å; L383-M385 PolarHBondContact O-N 2.76Å; M385-L387 VanDerWaalsContact C-N 3.29Å; M385-L387 PolarHBondContact O-N 3.13Å; M385-I388 WeakPolarHBondContact O-CB 3.32Å; M385-I388 PolarHBondContact O-N 3.41Å; M385-I388 VanDerWaalsContact O-N 3.07Å; M385-I388 HydrophobicContact SD-CD1 3.83Å; M385-V389 WeakPolarHBondContact O-CG2 3.17Å; M385-V389 PolarHBondContact O-N 2.97Å
386F94.5Very high91.8Very high16 Ų1619.3 Ų19.37%0.0711%0.113CC..Hα-helixtrans-58.3-42.7173.3-179.8-114.8000111.6L211 F277 T367 W375 F382 L383 I388 V389 L390L211-F386 HydrophobicContact CD1-CD1 4.35Å; L211-F386 HydrophobicContact CD1-CE1 4.23Å; F277-F386 HydrophobicContact CD2-CB 4.42Å; F277-F386 HydrophobicContact CE2-CB 3.91Å; F277-F386 AromaticContact CE2-CD2 3.74Å; F277-F386 HydrophobicContact CE2-CD2 3.74Å; F277-F386 HydrophobicContact CE2-CG 4.3Å; F277-F386 AromaticContact CZ-CD2 3.84Å; F277-F386 HydrophobicContact CZ-CD2 3.84Å; T367-F386 HydrophobicContact CG2-CD2 4.42Å; T367-F386 HydrophobicContact CG2-CE2 4.23Å; W375-F386 HydrophobicContact CZ3-CD1 4.44Å; W375-F386 HydrophobicContact CZ3-CE1 4.48Å; F382-F386 WeakPolarHBondContact O-CB 3.42Å; F382-F386 PolarHBondContact O-N 3.41Å; L383-F386 WeakPolarHBondContact O-CB 3.2Å; L383-F386 PolarHBondContact O-N 3.07Å; F386-I388 VanDerWaalsContact C-N 3.28Å; F386-I388 PolarHBondContact O-N 2.8Å; F386-V389 PolarHBondContact O-N 3.28Å; F386-L390 HydrophobicContact CD1-CD1 4.08Å; F386-L390 HydrophobicContact CD2-CG 4.41Å; F386-L390 HydrophobicContact CE1-CD1 3.52Å; F386-L390 HydrophobicContact CE1-CG 4.35Å; F386-L390 HydrophobicContact CE2-CD1 4.05Å; F386-L390 HydrophobicContact CE2-CD2 4.23Å; F386-L390 HydrophobicContact CE2-CG 4.04Å; F386-L390 HydrophobicContact CZ-CD1 3.51Å; F386-L390 HydrophobicContact CZ-CD2 4.28Å; F386-L390 HydrophobicContact CZ-CG 4.02Å; F386-L390 PolarHBondContact O-N 3.4Å; F386-L390 VanDerWaalsContact O-N 3.12Å
387L93.6Very high92.1Very high4 Ų418.7 Ų18.72%0.02111%0.11CC..Hα-helixtrans-71.1-15.1175.8-70.1176.2000114.3L183 A186 I207 F208 L211 L383 S384 M385 P391L183-L387 HydrophobicContact CD1-CD1 3.9Å; A186-L387 HydrophobicContact CB-CB 3.87Å; I207-L387 HydrophobicContact CG2-CD2 4.21Å; F208-L387 HydrophobicContact CB-CD2 4.38Å; F208-L387 HydrophobicContact CD2-CB 4.09Å; F208-L387 HydrophobicContact CD2-CD1 4.02Å; F208-L387 HydrophobicContact CD2-CD2 3.93Å; F208-L387 HydrophobicContact CD2-CG 4.24Å; F208-L387 HydrophobicContact CE2-CB 4.12Å; F208-L387 HydrophobicContact CE2-CD1 4.1Å; F208-L387 HydrophobicContact CG-CD2 4.45Å; L211-L387 HydrophobicContact CB-CD1 4.4Å; L211-L387 HydrophobicContact CB-CD2 4.47Å; L211-L387 HydrophobicContact CD1-CD2 4Å; L383-L387 HydrophobicContact CG-CD1 4.23Å; L383-L387 WeakPolarHBondContact O-CG 3.16Å; L383-L387 PolarHBondContact O-N 2.83Å; S384-L387 CarbonylContact O-C 3.54Å; S384-L387 PolarHBondContact O-N 2.87Å; M385-L387 VanDerWaalsContact C-N 3.29Å; M385-L387 PolarHBondContact O-N 3.13Å; L387-P391 WeakPolarHBondContact O-CD 3.5Å; L387-P391 VanDerWaalsContact O-CG 3.29Å; L387-P391 WeakPolarHBondContact O-CG 3.39Å
388I95.8Very high92.5Very high4 Ų415.2 Ų15.22%0.0219%0.087CC..Hα-helixtrans-82-46.5169.6-68.9167.4000110.3L182 V185 A186 M189 I273 S384 M385 F386 P391 L392L182-I388 HydrophobicContact CB-CD1 4.27Å; L182-I388 HydrophobicContact CD2-CD1 4.04Å; V185-I388 HydrophobicContact CB-CD1 4.1Å; V185-I388 HydrophobicContact CB-CG1 4.49Å; V185-I388 HydrophobicContact CG1-CD1 3.9Å; V185-I388 HydrophobicContact CG1-CG1 4.18Å; A186-I388 HydrophobicContact CB-CG1 3.61Å; M189-I388 HydrophobicContact CG-CG2 4.43Å; I273-I388 HydrophobicContact CG2-CG2 3.76Å; S384-I388 WeakPolarHBondContact O-CG1 3.21Å; S384-I388 PolarHBondContact O-N 2.91Å; M385-I388 WeakPolarHBondContact O-CB 3.32Å; M385-I388 PolarHBondContact O-N 3.41Å; M385-I388 VanDerWaalsContact O-N 3.07Å; M385-I388 HydrophobicContact SD-CD1 3.83Å; F386-I388 VanDerWaalsContact C-N 3.28Å; F386-I388 PolarHBondContact O-N 2.8Å; I388-P391 WeakPolarHBondContact O-CD 3.19Å; I388-L392 WeakPolarHBondContact O-CB 3.24Å; I388-L392 PolarHBondContact O-N 3.46Å
389V95.8Very high93Very high0 Ų09.2 Ų9.20%05%0.05CC..Hα-helixtrans-67.5-41.3-173.6177.40000111.2I273 E274 F277 T367 M385 F386 L392 E393I273-V389 HydrophobicContact CG2-CG2 3.93Å; E274-V389 HydrophobicContact CG-CG1 4.48Å; F277-V389 HydrophobicContact CB-CG2 3.81Å; F277-V389 HydrophobicContact CG-CG2 4.11Å; T367-V389 HydrophobicContact CG2-CB 4.47Å; T367-V389 HydrophobicContact CG2-CG1 3.75Å; M385-V389 WeakPolarHBondContact O-CG2 3.17Å; M385-V389 PolarHBondContact O-N 2.97Å; F386-V389 PolarHBondContact O-N 3.28Å; V389-L392 WeakPolarHBondContact O-CB 3.48Å; V389-L392 PolarHBondContact O-N 3Å; V389-L392 VanDerWaalsContact O-N 3.14Å; V389-E393 HydrophobicContact CG1-CG 4.11Å; V389-E393 WeakPolarHBondContact CG1-OE1 3.41Å; V389-E393 PolarHBondContact O-N 3.49Å
390L93.9Very high93.2Very high11 Ų117.7 Ų7.76%0.0584%0.042CC..Hα-helixtrans-57.7-53.2-179.6-77.1-179.5000113.7I207 T367 F386 L392 S394I207-L390 HydrophobicContact CG2-CD1 4.11Å; T367-L390 HydrophobicContact CG2-CD2 4.23Å; F386-L390 HydrophobicContact CD1-CD1 4.08Å; F386-L390 HydrophobicContact CD2-CG 4.41Å; F386-L390 HydrophobicContact CE1-CD1 3.52Å; F386-L390 HydrophobicContact CE1-CG 4.35Å; F386-L390 HydrophobicContact CE2-CD1 4.05Å; F386-L390 HydrophobicContact CE2-CD2 4.23Å; F386-L390 HydrophobicContact CE2-CG 4.04Å; F386-L390 HydrophobicContact CZ-CD1 3.51Å; F386-L390 HydrophobicContact CZ-CD2 4.28Å; F386-L390 HydrophobicContact CZ-CG 4.02Å; F386-L390 PolarHBondContact O-N 3.4Å; F386-L390 VanDerWaalsContact O-N 3.12Å; L390-L392 VanDerWaalsContact C-N 3.32Å; L390-L392 PolarHBondContact O-N 2.96Å; L390-S394 WeakPolarHBondContact O-CB 3.45Å; L390-S394 PolarHBondContact O-N 3.5Å
391P94.5Very high93.3Very high3 Ų39.7 Ų9.72%0.0195%0.05CC..Hα-helixtrans-63.2-34.1172.9-23.534.1000113.6M189 L190 D193 L387 I388 S394 M395M189-P391 HydrophobicContact CB-CB 4.01Å; L190-P391 HydrophobicContact CB-CG 4.44Å; D193-P391 HydrophobicContact CB-CB 4.19Å; L387-P391 WeakPolarHBondContact O-CD 3.5Å; L387-P391 VanDerWaalsContact O-CG 3.29Å; L387-P391 WeakPolarHBondContact O-CG 3.39Å; I388-P391 WeakPolarHBondContact O-CD 3.19Å; P391-S394 PolarHBondContact O-N 2.89Å; P391-M395 WeakPolarHBondContact O-CB 3.36Å; P391-M395 VanDerWaalsContact O-CG 3.3Å; P391-M395 WeakPolarHBondContact O-CG 3.45Å; P391-M395 PolarHBondContact O-N 3.43Å
392L94.7Very high93.3Very high28 Ų289 Ų915%0.1475%0.046CC..Hα-helixtrans-61.7-51.5178.3177.371.7000111.6M189 A270 I273 I388 V389 L390 M395 A396M189-L392 HydrophobicContact CE-CB 3.79Å; M189-L392 HydrophobicContact CE-CD1 3.38Å; M189-L392 HydrophobicContact CE-CG 4.16Å; A270-L392 HydrophobicContact CB-CD1 4.46Å; A270-L392 HydrophobicContact CB-CD2 4.01Å; I273-L392 HydrophobicContact CG2-CD2 4.43Å; I388-L392 WeakPolarHBondContact O-CB 3.24Å; I388-L392 PolarHBondContact O-N 3.46Å; V389-L392 WeakPolarHBondContact O-CB 3.48Å; V389-L392 PolarHBondContact O-N 3Å; V389-L392 VanDerWaalsContact O-N 3.14Å; L390-L392 VanDerWaalsContact C-N 3.32Å; L390-L392 PolarHBondContact O-N 2.96Å; L392-M395 HydrophobicContact CD1-CE 4.45Å; L392-M395 PolarHBondContact O-N 3.01Å; L392-A396 PolarHBondContact O-N 3.33Å
393E94.8Very high93.1Very high0 Ų09 Ų90%05%0.046CC..Hα-helixtrans-69.2-35.7178.2-64.7-174.5-130.300111.8H309 F312 S363 L364 T367 V389 M395 A396 H397H309-E393 IonicContact CE1-OE1 3.2Å; H309-E393 IonicContact NE2-OE1 2.67Å; H309-E393 PolarHBondContact NE2-OE1 3.43Å; H309-E393 VanDerWaalsContact NE2-OE1 3.09Å; H309-E393 IonicContact NE2-OE2 2.89Å; F312-E393 HydrophobicContact CZ-CG 4.41Å; S363-E393 WeakPolarHBondContact CB-OE2 3.36Å; S363-E393 PolarHBondContact OG-OE2 2.81Å; L364-E393 WeakPolarHBondContact CA-OE2 3.44Å; L364-E393 HydrophobicContact CD1-CB 4.44Å; L364-E393 HydrophobicContact CD2-CB 3.67Å; L364-E393 HydrophobicContact CG-CB 3.68Å; L364-E393 PolarHBondContact N-OE2 2.93Å; T367-E393 VanDerWaalsContact CB-OE1 3.23Å; T367-E393 WeakPolarHBondContact CB-OE1 3.49Å; T367-E393 PolarHBondContact OG1-OE1 3.5Å; V389-E393 HydrophobicContact CG1-CG 4.11Å; V389-E393 WeakPolarHBondContact CG1-OE1 3.41Å; V389-E393 PolarHBondContact O-N 3.49Å; E393-M395 VanDerWaalsContact C-N 3.34Å; E393-M395 PolarHBondContact O-N 3.28Å; E393-A396 WeakPolarHBondContact O-CB 3.26Å; E393-A396 PolarHBondContact O-N 3.34Å; E393-H397 PolarHBondContact O-N 2.98Å
394S94.2Very high92.8Very high0 Ų09 Ų90%05%0.046CC..Hα-helixtrans-58.3-42.7172.7170.30000112.5D193 S198 L200 N204 L390 P391 H397 G398D193-S394 PolarHBondContact OD1-OG 3.1Å; D193-S394 WeakPolarHBondContact OD2-CB 3.48Å; D193-S394 PolarHBondContact OD2-OG 3.37Å; S198-S394 PolarHBondContact OG-OG 3.19Å; S198-S394 VanDerWaalsContact OG-OG 3.09Å; L200-S394 WeakPolarHBondContact CB-OG 3.47Å; N204-S394 WeakPolarHBondContact ND2-CB 3.38Å; N204-S394 PolarHBondContact ND2-OG 3.14Å; N204-S394 VanDerWaalsContact ND2-OG 3.08Å; L390-S394 WeakPolarHBondContact O-CB 3.45Å; L390-S394 PolarHBondContact O-N 3.5Å; P391-S394 PolarHBondContact O-N 2.89Å; S394-H397 PolarHBondContact O-N 3.45Å; S394-G398 PolarHBondContact O-N 3.31Å
395M93.8Very high92.4Very high21 Ų2113.8 Ų13.810%0.1037%0.071CC..Hα-helixtrans-63.5-42.8174.5-78-171.1-65.800111.7M189 I192 D193 W252 P391 L392 E393 G398 L399M189-M395 HydrophobicContact CE-CE 3.36Å; M189-M395 HydrophobicContact SD-CE 4.17Å; I192-M395 HydrophobicContact CB-SD 3.89Å; I192-M395 HydrophobicContact CG2-SD 3.41Å; I192-M395 WeakPolarHBondContact CG2-SD 3.49Å; D193-M395 HydrophobicContact CB-CG 3.83Å; D193-M395 HydrophobicContact CB-SD 4.42Å; D193-M395 WeakPolarHBondContact OD1-CG 3.37Å; D193-M395 PolarHBondContact OD1-N 3.4Å; W252-M395 HydrophobicContact CH2-CB 4.2Å; W252-M395 VanDerWaalsContact CH2-O 3.3Å; W252-M395 WeakPolarHBondContact CH2-O 3.48Å; P391-M395 WeakPolarHBondContact O-CB 3.36Å; P391-M395 VanDerWaalsContact O-CG 3.3Å; P391-M395 WeakPolarHBondContact O-CG 3.45Å; P391-M395 PolarHBondContact O-N 3.43Å; L392-M395 HydrophobicContact CD1-CE 4.45Å; L392-M395 PolarHBondContact O-N 3.01Å; E393-M395 VanDerWaalsContact C-N 3.34Å; E393-M395 PolarHBondContact O-N 3.28Å; M395-G398 PolarHBondContact O-N 3.44Å; M395-L399 WeakPolarHBondContact O-CB 3.44Å; M395-L399 PolarHBondContact O-N 3.34Å
396A93.3Very high91.8Very high11 Ų1116.5 Ų16.59%0.0919%0.09CC..Hα-helixtrans-63-44.3176.800000111.6F312 L316 V360 L392 E393 L399 F400F312-A396 HydrophobicContact CE2-CB 3.52Å; F312-A396 HydrophobicContact CZ-CB 3.69Å; L316-A396 HydrophobicContact CD2-CB 4.13Å; V360-A396 HydrophobicContact CG1-CB 4.27Å; L392-A396 PolarHBondContact O-N 3.33Å; E393-A396 WeakPolarHBondContact O-CB 3.26Å; E393-A396 PolarHBondContact O-N 3.34Å; A396-L399 WeakPolarHBondContact O-CB 3.4Å; A396-L399 PolarHBondContact O-N 2.67Å; A396-F400 WeakPolarHBondContact O-CD2 3.44Å; A396-F400 PolarHBondContact O-N 2.94Å
397H93.6Very high91.3Very high7 Ų716 Ų163%0.0329%0.088CC..Hα-helixtrans-60.9-47.9173177.7-87000111.5E357 V360 L364 E393 S394 L399 F400 H401E357-H397 PolarHBondContact O-CD2 3.44Å; V360-H397 HydrophobicContact CB-CB 4.43Å; V360-H397 HydrophobicContact CG1-CB 3.81Å; L364-H397 HydrophobicContact CD1-CB 3.7Å; E393-H397 PolarHBondContact O-N 2.98Å; S394-H397 PolarHBondContact O-N 3.45Å; H397-L399 VanDerWaalsContact C-N 3.32Å; H397-L399 PolarHBondContact O-N 2.83Å; H397-F400 PolarHBondContact O-N 2.91Å; H397-H401 WeakPolarHBondContact O-CB 3.45Å; H397-H401 PolarHBondContact O-N 3.48Å
398G90.8Very high90.7Very high0 Ų017 Ų170%010%0.099CC..Hα-helixtrans-58.5-41.9178.600000112.6S394 M395 F400 H401 E402S394-G398 PolarHBondContact O-N 3.31Å; M395-G398 PolarHBondContact O-N 3.44Å; G398-F400 PolarHBondContact O-N 2.61Å; G398-H401 PolarHBondContact O-N 3.06Å; G398-E402 VanDerWaalsContact O-CB 3.28Å; G398-E402 WeakPolarHBondContact O-CB 3.47Å; G398-E402 VanDerWaalsContact O-CG 3.26Å; G398-E402 WeakPolarHBondContact O-CG 2.91Å; G398-E402 PolarHBondContact O-N 2.85Å
399L92.4Very high90Very high3 Ų316.9 Ų16.92%0.01610%0.099CC..Hα-helixtrans-56.9-50.2174.6176.467.6000111.3W252 F255 F319 M395 A396 H397 L403W252-L399 HydrophobicContact CB-CD1 4.42Å; W252-L399 HydrophobicContact CD2-CD1 3.53Å; W252-L399 HydrophobicContact CE3-CD1 3.64Å; W252-L399 HydrophobicContact CG-CD1 3.89Å; W252-L399 HydrophobicContact CH2-CB 3.78Å; W252-L399 HydrophobicContact CH2-CD1 4.39Å; W252-L399 HydrophobicContact CZ2-CB 3.82Å; W252-L399 HydrophobicContact CZ2-CD1 4.31Å; W252-L399 HydrophobicContact CZ3-CB 4.14Å; W252-L399 HydrophobicContact CZ3-CD1 4.07Å; F255-L399 HydrophobicContact CD1-CD2 4.19Å; F255-L399 HydrophobicContact CE1-CD2 3.66Å; F319-L399 HydrophobicContact CD1-CD2 4.3Å; F319-L399 HydrophobicContact CE1-CD2 3.72Å; F319-L399 HydrophobicContact CZ-CD2 4.11Å; F319-L399 HydrophobicContact CZ-CG 4.47Å; M395-L399 WeakPolarHBondContact O-CB 3.44Å; M395-L399 PolarHBondContact O-N 3.34Å; A396-L399 WeakPolarHBondContact O-CB 3.4Å; A396-L399 PolarHBondContact O-N 2.67Å; H397-L399 VanDerWaalsContact C-N 3.32Å; H397-L399 PolarHBondContact O-N 2.83Å; L399-L403 HydrophobicContact CD1-CD1 3.46Å; L399-L403 VanDerWaalsContact CD1-CD1 3.46Å; L399-L403 HydrophobicContact CD1-CG 4.1Å; L399-L403 HydrophobicContact CG-CD1 3.94Å; L399-L403 VanDerWaalsContact O-CB 3.22Å; L399-L403 WeakPolarHBondContact O-CB 3.23Å; L399-L403 VanDerWaalsContact O-CG 3.28Å; L399-L403 WeakPolarHBondContact O-CG 3.22Å; L399-L403 PolarHBondContact O-N 3.21Å
400F92.6Very high89.6Confident0 Ų017.4 Ų17.40%010%0.102CC..Hα-helixtrans-67.5-44.1-179.8-67.9-51.8000112.3T315 L316 F319 F352 C353 E357 V360 A396 H397 G398 G404T315-F400 HydrophobicContact CG2-CE2 4.12Å; T315-F400 HydrophobicContact CG2-CZ 4Å; L316-F400 HydrophobicContact CD2-CE2 4.01Å; L316-F400 HydrophobicContact CD2-CZ 3.99Å; F319-F400 HydrophobicContact CB-CE1 3.81Å; F319-F400 HydrophobicContact CB-CZ 3.97Å; F319-F400 HydrophobicContact CD1-CE1 4.31Å; F319-F400 HydrophobicContact CD2-CD1 4.39Å; F319-F400 AromaticContact CD2-CE1 3.62Å; F319-F400 HydrophobicContact CD2-CE1 3.62Å; F319-F400 HydrophobicContact CE2-CE1 4.28Å; F319-F400 AromaticContact CG-CE1 3.65Å; F319-F400 HydrophobicContact CG-CE1 3.65Å; F319-F400 HydrophobicContact CG-CZ 4.15Å; F352-F400 HydrophobicContact CE1-CE1 4.09Å; C353-F400 HydrophobicContact CB-CB 4.42Å; C353-F400 HydrophobicContact CB-CD1 4.14Å; C353-F400 WeakPolarHBondContact CB-O 3.38Å; E357-F400 HydrophobicContact CB-CB 4.05Å; V360-F400 HydrophobicContact CG2-CD2 3.67Å; V360-F400 HydrophobicContact CG2-CE2 3.64Å; A396-F400 WeakPolarHBondContact O-CD2 3.44Å; A396-F400 PolarHBondContact O-N 2.94Å; H397-F400 PolarHBondContact O-N 2.91Å; G398-F400 PolarHBondContact O-N 2.61Å; F400-G404 WeakPolarHBondContact O-CA 3.44Å; F400-G404 PolarHBondContact O-N 3.27Å
401H89.6Confident89.4Confident50 Ų5017.2 Ų17.223%0.23110%0.102CC..Hα-helixtrans-60.8-48.7177.6-179.677.2000112.2E357 H397 G398 N405E357-H401 HydrophobicContact CG-CB 4.05Å; E357-H401 IonicContact OE1-CE1 2.91Å; E357-H401 IonicContact OE1-CG 3.33Å; E357-H401 IonicContact OE1-ND1 3.9Å; E357-H401 PolarHBondContact OE1-ND1 3.38Å; E357-H401 WeakPolarHBondContact OE2-CA 3.35Å; E357-H401 IonicContact OE2-CG 3.93Å; E357-H401 IonicContact OE2-ND1 3.39Å; E357-H401 PolarHBondContact OE2-ND1 3.37Å; H397-H401 WeakPolarHBondContact O-CB 3.45Å; H397-H401 PolarHBondContact O-N 3.48Å; G398-H401 PolarHBondContact O-N 3.06Å; H401-N405 PolarHBondContact CE1-ND2 3.37Å; H401-N405 PolarHBondContact ND1-ND2 3.22Å; H401-N405 PolarHBondContact NE2-ND2 3.09Å; H401-N405 WeakPolarHBondContact O-CB 3.29Å; H401-N405 PolarHBondContact O-N 3.4Å; H401-N405 PolarHBondContact O-ND2 3.19Å
402E89.6Confident89.3Confident22 Ų2217 Ų1710%0.10310%0.101CC..Hα-helixtrans-71.1-42.9-177.3-68.5-167139.900111.8V248 R251 W252 G398 N405 C406V248-E402 HydrophobicContact CG1-CB 3.58Å; V248-E402 HydrophobicContact CG2-CB 4.07Å; R251-E402 IonicContact CZ-OE1 3.77Å; R251-E402 VanDerWaalsContact CZ-OE1 3.26Å; R251-E402 IonicContact CZ-OE2 3.95Å; R251-E402 IonicContact NH1-OE1 3.95Å; R251-E402 PolarHBondContact NH1-OE1 3.04Å; R251-E402 IonicContact NH1-OE2 3.55Å; R251-E402 VanDerWaalsContact NH2-CD 3.31Å; R251-E402 IonicContact NH2-OE1 2.9Å; R251-E402 PolarHBondContact NH2-OE1 3.19Å; R251-E402 IonicContact NH2-OE2 3.91Å; R251-E402 PolarHBondContact NH2-OE2 3.49Å; W252-E402 PolarHBondContact NE1-OE2 3.38Å; G398-E402 VanDerWaalsContact O-CB 3.28Å; G398-E402 WeakPolarHBondContact O-CB 3.47Å; G398-E402 VanDerWaalsContact O-CG 3.26Å; G398-E402 WeakPolarHBondContact O-CG 2.91Å; G398-E402 PolarHBondContact O-N 2.85Å; E402-N405 PolarHBondContact O-N 3.19Å; E402-C406 WeakPolarHBondContact O-CB 3.3Å; E402-C406 PolarHBondContact O-N 2.84Å
403L88.6Confident89.3Confident0 Ų015.7 Ų15.70%09%0.094CC..Hα-helixtrans-67.1-42176.8-73.3176000111.9V248 T249 L256 F319 M344 L399 N405 C406 L407V248-L403 HydrophobicContact CG1-CD2 4.19Å; T249-L403 HydrophobicContact CG2-CD2 4.14Å; L256-L403 HydrophobicContact CD2-CD1 4.38Å; F319-L403 HydrophobicContact CE2-CD1 4.03Å; F319-L403 HydrophobicContact CZ-CD1 3.8Å; M344-L403 HydrophobicContact CE-CD1 4.09Å; M344-L403 HydrophobicContact CE-CD2 4.18Å; L399-L403 HydrophobicContact CD1-CD1 3.46Å; L399-L403 VanDerWaalsContact CD1-CD1 3.46Å; L399-L403 HydrophobicContact CD1-CG 4.1Å; L399-L403 HydrophobicContact CG-CD1 3.94Å; L399-L403 VanDerWaalsContact O-CB 3.22Å; L399-L403 WeakPolarHBondContact O-CB 3.23Å; L399-L403 VanDerWaalsContact O-CG 3.28Å; L399-L403 WeakPolarHBondContact O-CG 3.22Å; L399-L403 PolarHBondContact O-N 3.21Å; L403-N405 PolarHBondContact O-N 2.94Å; L403-C406 PolarHBondContact O-N 3.13Å; L403-L407 HydrophobicContact CB-CD1 4.18Å; L403-L407 WeakPolarHBondContact O-CB 3.17Å; L403-L407 WeakPolarHBondContact O-CG 3.49Å; L403-L407 PolarHBondContact O-N 2.98Å
404G86.1Confident89.4Confident0 Ų015.8 Ų15.80%09%0.094CC..Hα-helixtrans-60.8-31.8177.200000113.3R350 F400R350-G404 VanDerWaalsContact CG-O 3.26Å; R350-G404 WeakPolarHBondContact CG-O 3.44Å; R350-G404 PolarHBondContact NE-O 3.32Å; F400-G404 WeakPolarHBondContact O-CA 3.44Å; F400-G404 PolarHBondContact O-N 3.27Å
405N82.9Confident89.4Confident101 Ų10115.8 Ų15.854%0.549%0.094SC..Hα-helixtrans-89.8-20.7177.6-72.2-45000114.3H401 E402 L403H401-N405 PolarHBondContact CE1-ND2 3.37Å; H401-N405 PolarHBondContact ND1-ND2 3.22Å; H401-N405 PolarHBondContact NE2-ND2 3.09Å; H401-N405 WeakPolarHBondContact O-CB 3.29Å; H401-N405 PolarHBondContact O-N 3.4Å; H401-N405 PolarHBondContact O-ND2 3.19Å; E402-N405 PolarHBondContact O-N 3.19Å; L403-N405 PolarHBondContact O-N 2.94Å
406C82.4Confident89.3Confident65 Ų6514.8 Ų14.844%0.4399%0.089SC..Hα-helixtrans-96.1-34-176.7-1700000113.7V248 E402 L403V248-C406 HydrophobicContact CB-CB 4.14Å; V248-C406 HydrophobicContact CG1-CB 4.41Å; V248-C406 HydrophobicContact CG2-CB 4.04Å; E402-C406 WeakPolarHBondContact O-CB 3.3Å; E402-C406 PolarHBondContact O-N 2.84Å; L403-C406 PolarHBondContact O-N 3.13Å
407L84.3Confident89.1Confident7 Ų714.3 Ų14.34%0.0379%0.085CC..SBendtrans-69.8146.5-177.5-68.1170.7000111.3D341 M344 M349 R350 L403D341-L407 HydrophobicContact CB-CD2 4.43Å; M344-L407 HydrophobicContact CB-CD1 4.19Å; M344-L407 HydrophobicContact CB-CD2 3.81Å; M344-L407 HydrophobicContact CE-CD1 4.1Å; M349-L407 HydrophobicContact CB-CD1 3.96Å; M349-L407 HydrophobicContact CG-CD1 3.97Å; R350-L407 HydrophobicContact CB-CB 3.92Å; R350-L407 WeakPolarHBondContact CD-O 3.43Å; R350-L407 HydrophobicContact CG-CB 4.28Å; L403-L407 HydrophobicContact CB-CD1 4.18Å; L403-L407 WeakPolarHBondContact O-CB 3.17Å; L403-L407 WeakPolarHBondContact O-CG 3.49Å; L403-L407 PolarHBondContact O-N 2.98Å
408G80.2Confident88.7Confident24 Ų2414.7 Ų14.725%0.2479%0.087CC..  trans-69175173.800000113.1R350R350-G408 WeakPolarHBondContact CD-O 3.43Å
409G82Confident87.7Confident1 Ų115.2 Ų15.21%0.019%0.09CC..  trans-84.4172.7175.500000113.6D496 Q690G409-D496 WeakPolarHBondContact CA-OD2 3.07Å; G409-Q690 PolarHBondContact O-NE2 3.47Å; G409-Q690 PolarHBondContact O-OE1 2.7Å
410T87.6Confident86.2Confident12 Ų1215.8 Ų15.87%0.0749%0.094CC..  trans-83.9150.6171.355.80000111.4A345 T489 D496 T497 Q690A345-T410 WeakPolarHBondContact O-CG2 3.26Å; T410-T489 HydrophobicContact CG2-CG2 4.02Å; T410-D496 PolarHBondContact N-OD2 3.46Å; T410-D496 WeakPolarHBondContact O-CB 3.47Å; T410-D496 PolarHBondContact O-N 2.84Å; T410-D496 VanDerWaalsContact O-N 3.15Å; T410-D496 PolarHBondContact OG1-N 3.35Å; T410-T497 PolarHBondContact O-N 2.98Å; T410-T497 VanDerWaalsContact O-N 3.08Å; T410-Q690 PolarHBondContact O-NE2 2.97Å
411S89.8Confident84.5Confident6 Ų619.1 Ų19.14%0.04211%0.112CC..EExtended strand (participates in β ladder)trans-135.9146.4179.549.80000111.9I460 E461 T497 Q690S411-I460 WeakPolarHBondContact OG-CG1 3.31Å; S411-E461 PolarHBondContact O-N 3.19Å; S411-T497 VanDerWaalsContact CA-O 3.26Å; S411-T497 WeakPolarHBondContact CA-O 3.27Å; S411-Q690 PolarHBondContact OG-OE1 3.22Å
412V93.1Very high82.7Confident0 Ų019.2 Ų19.20%011%0.112CC..EExtended strand (participates in β ladder)trans-129.8139.2174.262.20000109.9E461 F484 L487 H495 T497 Y498 I499V412-E461 CarbonylContact C-O 3.58Å; V412-E461 WeakPolarHBondContact CA-O 3.4Å; V412-E461 HydrophobicContact CB-CB 4.48Å; V412-E461 HydrophobicContact CG2-CB 4.43Å; V412-E461 VanDerWaalsContact CG2-O 3.28Å; V412-E461 WeakPolarHBondContact CG2-O 3.33Å; V412-F484 HydrophobicContact CB-CE2 4.35Å; V412-F484 HydrophobicContact CG1-CE2 3.8Å; V412-F484 HydrophobicContact CG1-CZ 4.32Å; V412-F484 HydrophobicContact CG2-CD2 4.28Å; V412-F484 HydrophobicContact CG2-CE2 3.83Å; V412-L487 HydrophobicContact CB-CD2 4.33Å; V412-L487 HydrophobicContact CG2-CD2 3.42Å; V412-L487 VanDerWaalsContact CG2-CD2 3.42Å; V412-H495 HydrophobicContact CB-CB 4.41Å; V412-H495 HydrophobicContact CG1-CB 3.85Å; V412-T497 PolarHBondContact N-O 3.15Å; V412-Y498 HydrophobicContact CG1-CD1 3.28Å; V412-Y498 HydrophobicContact CG1-CD2 4.47Å; V412-Y498 HydrophobicContact CG1-CE1 3.49Å; V412-Y498 VanDerWaalsContact CG1-CE1 3.49Å; V412-Y498 HydrophobicContact CG1-CG 3.82Å; V412-Y498 CarbonylContact O-C 3.58Å; V412-I499 PolarHBondContact O-N 3.34Å
413G93.9Very high80.8Confident0 Ų020.6 Ų20.60%012%0.123CC..EExtended strand (participates in β ladder)trans-119.9138-178.500000112.3I460 E461 Y463 I499G413-I460 VanDerWaalsContact N-CG2 3.26Å; G413-E461 PolarHBondContact N-O 3.07Å; G413-Y463 PolarHBondContact O-N 2.67Å; G413-I499 CarbonylContact C-O 3.59Å; G413-I499 VanDerWaalsContact CA-O 3.32Å; G413-I499 WeakPolarHBondContact CA-O 3.43Å
414Y95.9Very high79.1Confident1 Ų121.7 Ų21.70%0.00413%0.131CC..EExtended strand (participates in β ladder)trans-128.8127.8167.7178.8-141000108.9I416 Y463 G464 D466 K480 L481 F484 I499 L500 Y501Y414-I416 HydrophobicContact CD1-CD1 4.09Å; Y414-I416 HydrophobicContact CD1-CG1 4.11Å; Y414-I416 HydrophobicContact CE1-CD1 3.47Å; Y414-I416 VanDerWaalsContact CE1-CD1 3.47Å; Y414-I416 HydrophobicContact CE1-CG1 3.63Å; Y414-I416 HydrophobicContact CE2-CG1 4.17Å; Y414-Y463 HydrophobicContact CD1-CD1 4.45Å; Y414-Y463 AromaticContact CD2-CD1 3.58Å; Y414-Y463 HydrophobicContact CD2-CD1 3.58Å; Y414-Y463 HydrophobicContact CD2-CE1 4.19Å; Y414-Y463 HydrophobicContact CE2-CD1 4.05Å; Y414-Y463 HydrophobicContact CE2-CE1 4.22Å; Y414-Y463 AromaticContact CG-CD1 3.83Å; Y414-Y463 HydrophobicContact CG-CD1 3.83Å; Y414-Y463 HydrophobicContact CG-CE1 4.49Å; Y414-G464 WeakPolarHBondContact CD2-O 3.41Å; Y414-D466 HydrophobicContact CE2-CB 4.41Å; Y414-D466 WeakPolarHBondContact CE2-OD2 3.41Å; Y414-D466 PolarHBondContact OH-OD2 3.42Å; Y414-K480 WeakPolarHBondContact OH-CD 3.32Å; Y414-L481 HydrophobicContact CD1-CD2 3.82Å; Y414-L481 HydrophobicContact CE1-CD2 3.79Å; Y414-L481 HydrophobicContact CE1-CG 4.34Å; Y414-F484 HydrophobicContact CD1-CB 4.43Å; Y414-F484 HydrophobicContact CD1-CD1 4.37Å; Y414-F484 HydrophobicContact CD1-CG 4.29Å; Y414-F484 HydrophobicContact CG-CD2 4.47Å; Y414-F484 HydrophobicContact CG-CG 4.41Å; Y414-I499 PolarHBondContact N-O 3.03Å; Y414-L500 HydrophobicContact CD1-CD1 3.69Å; Y414-L500 HydrophobicContact CE1-CD1 4.45Å; Y414-L500 HydrophobicContact CG-CD1 4.36Å; Y414-L500 WeakPolarHBondContact O-CA 3.28Å; Y414-Y501 PolarHBondContact O-N 2.84Å
415A94.1Very high77.4Confident0 Ų027.3 Ų27.30%017%0.167CC..EExtended strand (participates in β ladder)trans-116.2133.9-178.700000110.6I451 F455 G464 C465 D466 Y501A415-I451 HydrophobicContact CB-CG2 3.68Å; A415-F455 HydrophobicContact CB-CE2 4.07Å; A415-F455 HydrophobicContact CB-CZ 4.35Å; A415-G464 PolarHBondContact N-O 3.41Å; A415-C465 HydrophobicContact CB-CB 4.38Å; A415-C465 CarbonylContact O-C 3.57Å; A415-C465 WeakPolarHBondContact O-CA 3.49Å; A415-D466 PolarHBondContact O-N 2.71Å; A415-Y501 HydrophobicContact CB-CD1 3.9Å; A415-Y501 HydrophobicContact CB-CG 4.48Å
416I92.3Very high75.9Confident1 Ų129 Ų291%0.00518%0.176CC..EExtended strand (participates in β ladder)trans-127.4120.7179.1-51.9175.6000108Y414 I418 L472 L477 L500 Y501 Y502 S503 W512Y414-I416 HydrophobicContact CD1-CD1 4.09Å; Y414-I416 HydrophobicContact CD1-CG1 4.11Å; Y414-I416 HydrophobicContact CE1-CD1 3.47Å; Y414-I416 VanDerWaalsContact CE1-CD1 3.47Å; Y414-I416 HydrophobicContact CE1-CG1 3.63Å; Y414-I416 HydrophobicContact CE2-CG1 4.17Å; I416-I418 HydrophobicContact CG2-CD1 4.3Å; I416-I418 HydrophobicContact CG2-CG1 4.09Å; I416-L472 HydrophobicContact CG2-CD1 3.67Å; I416-L477 HydrophobicContact CD1-CD1 3.55Å; I416-L500 HydrophobicContact CD1-CD1 4.13Å; I416-Y501 PolarHBondContact N-O 2.97Å; I416-Y502 HydrophobicContact CB-CD2 4.22Å; I416-Y502 HydrophobicContact CG2-CD2 4.18Å; I416-Y502 WeakPolarHBondContact O-CA 3.38Å; I416-S503 PolarHBondContact O-N 3Å; I416-W512 HydrophobicContact CD1-CZ3 4.23Å
417V89.3Confident74.4Confident0 Ų027.1 Ų27.10%017%0.168CC..EExtended strand (participates in β ladder)trans-122.7116.8176.1-179.70000109.4M447 L448 D466 Y467 S468 Y501 S503V417-M447 HydrophobicContact CG1-CE 4.01Å; V417-L448 HydrophobicContact CB-CD1 4.42Å; V417-L448 HydrophobicContact CB-CD2 3.95Å; V417-L448 HydrophobicContact CB-CG 4.07Å; V417-L448 HydrophobicContact CG2-CD2 3.49Å; V417-L448 VanDerWaalsContact CG2-CD2 3.49Å; V417-L448 HydrophobicContact CG2-CG 3.77Å; V417-D466 PolarHBondContact N-O 3.48Å; V417-Y467 HydrophobicContact CB-CD2 4.37Å; V417-Y467 HydrophobicContact CG1-CD2 4.25Å; V417-Y467 HydrophobicContact CG1-CE2 4.48Å; V417-S468 PolarHBondContact O-N 3.47Å; V417-Y501 HydrophobicContact CG2-CE1 3.8Å; V417-S503 WeakPolarHBondContact CA-O 3.44Å
418I84.4Confident73Confident16 Ų1632.9 Ų32.98%0.08220%0.195CC..  trans-119.6110.8176.3-52.6178.5000107.2I416 T420 L472 Y502 S503 G504I416-I418 HydrophobicContact CG2-CD1 4.3Å; I416-I418 HydrophobicContact CG2-CG1 4.09Å; I418-T420 PolarHBondContact O-N 3.44Å; I418-L472 HydrophobicContact CD1-CB 4.31Å; I418-L472 HydrophobicContact CD1-CD1 4.04Å; I418-L472 HydrophobicContact CD1-CG 4.48Å; I418-L472 HydrophobicContact CG1-CD1 4.27Å; I418-Y502 HydrophobicContact CD1-CE2 4.02Å; I418-Y502 HydrophobicContact CG1-CE2 4.49Å; I418-S503 PolarHBondContact N-O 3.39Å; I418-G504 WeakPolarHBondContact O-CA 3.42Å
419P70.7Confident71.9Confident10 Ų1037 Ų377%0.06522%0.217CC..  trans-64.2135.518025.2-28.1000110.9F422 Y467 S468P419-F422 HydrophobicContact CB-CD2 4.4Å; P419-F422 HydrophobicContact CG-CD2 4.05Å; P419-F422 HydrophobicContact CG-CE2 4.14Å; P419-Y467 HydrophobicContact CG-CE2 4.15Å; P419-S468 WeakPolarHBondContact CD-O 3.37Å
420T61.1Low71Confident15 Ų1539.9 Ų39.99%0.09224%0.235CC..SBendtrans-83.5-26.4-165490000115.6I418 F422 C423 G504 H505 L585I418-T420 PolarHBondContact O-N 3.44Å; T420-F422 VanDerWaalsContact C-N 3.31Å; T420-F422 PolarHBondContact O-N 3.46Å; T420-C423 PolarHBondContact O-N 2.72Å; T420-G504 VanDerWaalsContact CG2-C 3.43Å; T420-H505 HydrophobicContact CG2-CB 4.01Å; T420-L585 HydrophobicContact CG2-CD1 3.18Å
421N56.9Low69.7Low70 Ų7047.9 Ų47.937%0.37428%0.276SS..THydrogen-bonded Turntrans-88.2-1.5-165.6-63.21.4000113.3C423 L432 L440N421-C423 PolarHBondContact O-N 3.07Å; N421-L432 HydrophobicContact CB-CD1 3.55Å; N421-L432 HydrophobicContact CB-CD2 4.05Å; N421-L432 HydrophobicContact CB-CG 4.34Å; N421-L432 VanDerWaalsContact O-CD1 3.31Å; N421-L432 WeakPolarHBondContact O-CD1 3.18Å; N421-L432 WeakPolarHBondContact O-CD2 3.13Å; N421-L432 VanDerWaalsContact O-CG 3.3Å; N421-L432 WeakPolarHBondContact O-CG 3.37Å; N421-L440 HydrophobicContact CB-CD1 3.61Å; N421-L440 HydrophobicContact CB-CD2 4.36Å
422F51.4Low68.5Low53 Ų5349.5 Ų49.523%0.23228%0.284CS..THydrogen-bonded Turntrans-73.9-1.7166.8-70.9-72.5000111.9P419 T420 P429 T430 L432 V437P419-F422 HydrophobicContact CB-CD2 4.4Å; P419-F422 HydrophobicContact CG-CD2 4.05Å; P419-F422 HydrophobicContact CG-CE2 4.14Å; T420-F422 VanDerWaalsContact C-N 3.31Å; T420-F422 PolarHBondContact O-N 3.46Å; F422-P429 CarbonylContact O-C 3.35Å; F422-P429 WeakPolarHBondContact O-CA 3.48Å; F422-T430 PolarHBondContact O-N 3.47Å; F422-L432 HydrophobicContact CD1-CD1 4.38Å; F422-L432 HydrophobicContact CE1-CD1 4.42Å; F422-V437 HydrophobicContact CE1-CG2 4.04Å; F422-V437 HydrophobicContact CZ-CG1 3.97Å; F422-V437 HydrophobicContact CZ-CG2 4.04Å
423C49.8Very low67.6Low50 Ų5052.8 Ų52.834%0.33831%0.306SS..BIsolated β-bridgetrans-125140.8179.7-660000111.3T420 N421 Q428T420-C423 PolarHBondContact O-N 2.72Å; N421-C423 PolarHBondContact O-N 3.07Å; C423-Q428 CarbonylContact C-O 3.38Å; C423-Q428 WeakPolarHBondContact CA-O 3.42Å
424S52.1Low66.6Low24 Ų2458 Ų5817%0.16834%0.339CS..  trans-64.8169.4171.577.90000110.1D426 G427 Q428 T430S424-D426 PolarHBondContact O-N 3.15Å; S424-D426 PolarHBondContact OG-N 3.2Å; S424-G427 PolarHBondContact O-N 2.88Å; S424-Q428 PolarHBondContact N-O 3.03Å; S424-Q428 WeakPolarHBondContact OG-CB 3.33Å; S424-Q428 PolarHBondContact OG-N 3.02Å; S424-Q428 VanDerWaalsContact OG-N 3.16Å; S424-T430 PolarHBondContact N-OG1 3.36Å
425P51.9Low65.6Low117 Ų11765.1 Ų65.176%0.7637%0.373SS*.THydrogen-bonded Turntrans-53.8-19172-24.334.2000114.3
426D50.9Low64.6Low136 Ų13669.6 Ų69.673%0.72739%0.393SS*.THydrogen-bonded Turntrans-99.56.6177.7-54.6-48.7000113.3S424S424-D426 PolarHBondContact O-N 3.15Å; S424-D426 PolarHBondContact OG-N 3.2Å
427G51.7Low63.7Low27 Ų2771.2 Ų71.228%0.27840%0.403SS..SBendtrans84.410.2178.500000115.8S424S424-G427 PolarHBondContact O-N 2.88Å
428Q53.5Low63.2Low128 Ų12878 Ų7860%0.59844%0.435SS*.  trans-90.2138.1-176.8-70.9-67.8-33.700112.8C423 S424 T430C423-Q428 CarbonylContact C-O 3.38Å; C423-Q428 WeakPolarHBondContact CA-O 3.42Å; S424-Q428 PolarHBondContact N-O 3.03Å; S424-Q428 WeakPolarHBondContact OG-CB 3.33Å; S424-Q428 PolarHBondContact OG-N 3.02Å; S424-Q428 VanDerWaalsContact OG-N 3.16Å; Q428-T430 PolarHBondContact O-N 3.33Å; Q428-T430 VanDerWaalsContact O-N 3.12Å; Q428-T430 PolarHBondContact O-OG1 3.29Å
429P58.2Low63Low109 Ų10982.4 Ų82.471%0.70846%0.455SS*.BIsolated β-bridgetrans-59.3118.9-174.720.9-30.5000112.4F422F422-P429 CarbonylContact O-C 3.35Å; F422-P429 WeakPolarHBondContact O-CA 3.48Å
430T62.3Low63.3Low63 Ų6382.9 Ų82.939%0.38746%0.457SS..  trans-109.3130.4-179.7-52.90000110.2F422 S424 Q428 L432F422-T430 PolarHBondContact O-N 3.47Å; S424-T430 PolarHBondContact N-OG1 3.36Å; Q428-T430 PolarHBondContact O-N 3.33Å; Q428-T430 VanDerWaalsContact O-N 3.12Å; Q428-T430 PolarHBondContact O-OG1 3.29Å; T430-L432 PolarHBondContact O-N 2.85Å
431L60.2Low64.3Low179 Ų17984.6 Ų84.694%0.93747%0.465SS*.  trans-73.4112.1175.5-81.1155.6000109.6
432L64.7Low65.6Low41 Ų4187.7 Ų87.722%0.21548%0.482CS..  trans-89.1149.3175.5-67.3172.1000111.6N421 F422 T430 V437 L440N421-L432 HydrophobicContact CB-CD1 3.55Å; N421-L432 HydrophobicContact CB-CD2 4.05Å; N421-L432 HydrophobicContact CB-CG 4.34Å; N421-L432 VanDerWaalsContact O-CD1 3.31Å; N421-L432 WeakPolarHBondContact O-CD1 3.18Å; N421-L432 WeakPolarHBondContact O-CD2 3.13Å; N421-L432 VanDerWaalsContact O-CG 3.3Å; N421-L432 WeakPolarHBondContact O-CG 3.37Å; F422-L432 HydrophobicContact CD1-CD1 4.38Å; F422-L432 HydrophobicContact CE1-CD1 4.42Å; T430-L432 PolarHBondContact O-N 2.85Å; L432-V437 HydrophobicContact CB-CG2 3.69Å; L432-V437 HydrophobicContact CD1-CG2 4.29Å; L432-L440 HydrophobicContact CD1-CD1 3.41Å; L432-L440 VanDerWaalsContact CD1-CD1 3.41Å
433P74.8Confident67.2Low69 Ų6988 Ų8845%0.44848%0.481SS..  trans-56.1146.5167.4-22.432.7000111.8E435 H436 V437P433-E435 VanDerWaalsContact C-N 3.25Å; P433-E435 PolarHBondContact O-N 2.82Å; P433-H436 PolarHBondContact O-N 3.36Å; P433-H436 VanDerWaalsContact O-N 3.08Å; P433-V437 PolarHBondContact O-N 3.44Å; P433-V437 VanDerWaalsContact O-N 3.11Å
434P72.5Confident68.9Low109 Ų10985.8 Ų85.871%0.70847%0.466SS*.Hα-helixtrans-59-33.7-175.522.1-32.7000113.6V437 Q438P434-V437 PolarHBondContact O-N 3.43Å; P434-Q438 PolarHBondContact O-N 3.12Å
435E74.3Confident70.5Confident151 Ų15187.6 Ų87.671%0.70648%0.477SS*.Hα-helixtrans-64.3-42.8176.7-64.4178.8175.600112.1P433 V437 Q438 E439P433-E435 VanDerWaalsContact C-N 3.25Å; P433-E435 PolarHBondContact O-N 2.82Å; E435-V437 VanDerWaalsContact C-N 3.35Å; E435-V437 PolarHBondContact O-N 3.31Å; E435-Q438 PolarHBondContact O-N 3.37Å; E435-E439 PolarHBondContact O-N 3.47Å; E435-E439 VanDerWaalsContact O-N 3.08Å
436H72.7Confident72.2Confident94 Ų9483.8 Ų83.844%0.43546%0.459SS..Hα-helixtrans-69-35.8178.1-70.864000111.1P433 Q438 E439 L440P433-H436 PolarHBondContact O-N 3.36Å; P433-H436 VanDerWaalsContact O-N 3.08Å; H436-Q438 VanDerWaalsContact C-N 3.33Å; H436-Q438 PolarHBondContact O-N 3.11Å; H436-E439 PolarHBondContact O-N 3.26Å; H436-L440 WeakPolarHBondContact O-CB 3.05Å; H436-L440 VanDerWaalsContact O-CD1 3.24Å; H436-L440 WeakPolarHBondContact O-CD1 3.43Å; H436-L440 WeakPolarHBondContact O-CG 3.12Å; H436-L440 PolarHBondContact O-N 3.26Å
437V74.1Confident74.1Confident34 Ų3478 Ų7821%0.20643%0.427CS..Hα-helixtrans-62.3-41.4173.7173.40000111.2F422 L432 P433 P434 E435 N441F422-V437 HydrophobicContact CE1-CG2 4.04Å; F422-V437 HydrophobicContact CZ-CG1 3.97Å; F422-V437 HydrophobicContact CZ-CG2 4.04Å; L432-V437 HydrophobicContact CB-CG2 3.69Å; L432-V437 HydrophobicContact CD1-CG2 4.29Å; P433-V437 PolarHBondContact O-N 3.44Å; P433-V437 VanDerWaalsContact O-N 3.11Å; P434-V437 PolarHBondContact O-N 3.43Å; E435-V437 VanDerWaalsContact C-N 3.35Å; E435-V437 PolarHBondContact O-N 3.31Å; V437-N441 WeakPolarHBondContact O-CB 3.38Å; V437-N441 VanDerWaalsContact O-CG 3.27Å; V437-N441 PolarHBondContact O-N 3.31Å; V437-N441 PolarHBondContact O-ND2 3.46Å; V437-N441 VanDerWaalsContact O-ND2 3.08Å
438Q78.6Confident75.9Confident144 Ų14477.5 Ų77.567%0.67342%0.418SS*.Hα-helixtrans-65.9-45.3178.7-174.5174.2-3.600111.9P434 E435 H436 N441 L442P434-Q438 PolarHBondContact O-N 3.12Å; E435-Q438 PolarHBondContact O-N 3.37Å; H436-Q438 VanDerWaalsContact C-N 3.33Å; H436-Q438 PolarHBondContact O-N 3.11Å; Q438-N441 PolarHBondContact O-N 3.08Å; Q438-L442 WeakPolarHBondContact O-CB 3.42Å; Q438-L442 PolarHBondContact O-N 3.48Å
439E79.9Confident77.7Confident107 Ų10775.8 Ų75.850%0.541%0.413SS..Hα-helixtrans-61.2-44.3176.6-171.9-177.7172.900111.8E435 H436 N441 L442 R443E435-E439 PolarHBondContact O-N 3.47Å; E435-E439 VanDerWaalsContact O-N 3.08Å; H436-E439 PolarHBondContact O-N 3.26Å; E439-N441 PolarHBondContact O-N 2.96Å; E439-L442 WeakPolarHBondContact O-CB 3.23Å; E439-L442 PolarHBondContact O-N 3Å; E439-R443 WeakPolarHBondContact O-CB 3.48Å; E439-R443 PolarHBondContact O-N 3.49Å
440L77.5Confident79.3Confident20 Ų2071.4 Ų71.411%0.10539%0.386CS..Hα-helixtrans-64-40.5177.6-73.9163.2000113N421 L432 H436 R443 S444N421-L440 HydrophobicContact CB-CD1 3.61Å; N421-L440 HydrophobicContact CB-CD2 4.36Å; L432-L440 HydrophobicContact CD1-CD1 3.41Å; L432-L440 VanDerWaalsContact CD1-CD1 3.41Å; H436-L440 WeakPolarHBondContact O-CB 3.05Å; H436-L440 VanDerWaalsContact O-CD1 3.24Å; H436-L440 WeakPolarHBondContact O-CD1 3.43Å; H436-L440 WeakPolarHBondContact O-CG 3.12Å; H436-L440 PolarHBondContact O-N 3.26Å; L440-R443 PolarHBondContact O-N 2.95Å; L440-S444 VanDerWaalsContact O-CB 3.27Å; L440-S444 WeakPolarHBondContact O-CB 3.42Å; L440-S444 PolarHBondContact O-N 3.06Å; L440-S444 PolarHBondContact O-OG 2.99Å
441N82.3Confident80.8Confident51 Ų5168.5 Ų68.527%0.27337%0.368SS..Hα-helixtrans-63.7-44.1174.7-78.6-37.1000110.9V437 Q438 E439 R443 S444 T445 Y467V437-N441 WeakPolarHBondContact O-CB 3.38Å; V437-N441 VanDerWaalsContact O-CG 3.27Å; V437-N441 PolarHBondContact O-N 3.31Å; V437-N441 PolarHBondContact O-ND2 3.46Å; V437-N441 VanDerWaalsContact O-ND2 3.08Å; Q438-N441 PolarHBondContact O-N 3.08Å; E439-N441 PolarHBondContact O-N 2.96Å; N441-R443 VanDerWaalsContact C-N 3.33Å; N441-R443 PolarHBondContact O-N 3.4Å; N441-S444 PolarHBondContact O-N 3.07Å; N441-T445 VanDerWaalsContact O-CB 3.28Å; N441-T445 WeakPolarHBondContact O-CB 3.42Å; N441-T445 PolarHBondContact O-N 3.38Å; N441-T445 PolarHBondContact O-OG1 3.47Å; N441-Y467 PolarHBondContact OD1-OH 3.19Å
442L84.4Confident82.3Confident136 Ų13664.2 Ų64.271%0.71234%0.343SS*.Hα-helixtrans-59.3-47176.7-16996.4000110.6Q438 E439 T445 G446Q438-L442 WeakPolarHBondContact O-CB 3.42Å; Q438-L442 PolarHBondContact O-N 3.48Å; E439-L442 WeakPolarHBondContact O-CB 3.23Å; E439-L442 PolarHBondContact O-N 3Å; L442-T445 PolarHBondContact O-N 2.88Å; L442-G446 PolarHBondContact O-N 3.4Å
443R84.8Confident83.5Confident58 Ų5867.7 Ų67.722%0.21935%0.354CS..Hα-helixtrans-65.3-45.5-179.7-167.6173-178.8123.814.6112.4E439 L440 N441 T445 G446 M447 Q584 L585 D587E439-R443 WeakPolarHBondContact O-CB 3.48Å; E439-R443 PolarHBondContact O-N 3.49Å; L440-R443 PolarHBondContact O-N 2.95Å; N441-R443 VanDerWaalsContact C-N 3.33Å; N441-R443 PolarHBondContact O-N 3.4Å; R443-T445 PolarHBondContact O-N 3.03Å; R443-G446 CarbonylContact O-C 3.55Å; R443-G446 WeakPolarHBondContact O-CA 3.44Å; R443-G446 PolarHBondContact O-N 3.3Å; R443-G446 VanDerWaalsContact O-N 3.12Å; R443-M447 WeakPolarHBondContact O-CG 3.41Å; R443-M447 PolarHBondContact O-N 3.17Å; R443-Q584 VanDerWaalsContact NH1-CD 3.34Å; R443-Q584 VanDerWaalsContact NH2-C 3.27Å; R443-Q584 PolarHBondContact NH2-O 2.86Å; R443-Q584 VanDerWaalsContact NH2-O 3.09Å; R443-L585 VanDerWaalsContact CZ-O 3.27Å; R443-L585 PolarHBondContact NE-O 2.79Å; R443-L585 PolarHBondContact NH2-O 2.98Å; R443-L585 VanDerWaalsContact NH2-O 3.1Å; R443-D587 IonicContact CZ-OD1 3.86Å; R443-D587 IonicContact NH2-OD1 3.61Å; R443-D587 PolarHBondContact NH2-OD1 2.9Å; R443-D587 IonicContact NH2-OD2 2.79Å; R443-D587 PolarHBondContact NH2-OD2 3.27Å
444S85.6Confident84.3Confident4 Ų464.4 Ų64.43%0.02833%0.332CS..Hα-helixtrans-64.5-40.1177.8-57.40000112.4L440 N441 G446 M447 L448 Y467L440-S444 VanDerWaalsContact O-CB 3.27Å; L440-S444 WeakPolarHBondContact O-CB 3.42Å; L440-S444 PolarHBondContact O-N 3.06Å; L440-S444 PolarHBondContact O-OG 2.99Å; N441-S444 PolarHBondContact O-N 3.07Å; S444-G446 VanDerWaalsContact C-N 3.32Å; S444-M447 PolarHBondContact O-N 3.37Å; S444-L448 WeakPolarHBondContact O-CG 3.3Å; S444-L448 PolarHBondContact O-N 2.92Å; S444-Y467 VanDerWaalsContact CB-CE2 3.43Å
445T86.1Confident85.2Confident63 Ų6359.3 Ų59.339%0.38730%0.299SS..Hα-helixtrans-65.2-38.9172.6-52.60000110.8N441 L442 R443 L448 N449N441-T445 VanDerWaalsContact O-CB 3.28Å; N441-T445 WeakPolarHBondContact O-CB 3.42Å; N441-T445 PolarHBondContact O-N 3.38Å; N441-T445 PolarHBondContact O-OG1 3.47Å; L442-T445 PolarHBondContact O-N 2.88Å; R443-T445 PolarHBondContact O-N 3.03Å; T445-L448 PolarHBondContact O-N 2.97Å; T445-N449 WeakPolarHBondContact O-CB 3.27Å; T445-N449 VanDerWaalsContact O-CG 3.23Å; T445-N449 PolarHBondContact O-N 3.49Å; T445-N449 PolarHBondContact O-ND2 2.95Å
446G87.9Confident85.9Confident37 Ų3755.2 Ų55.238%0.38129%0.291SS..Hα-helixtrans-59.2-44.3172.700000113.2L442 R443 S444 N449 A450L442-G446 PolarHBondContact O-N 3.4Å; R443-G446 CarbonylContact O-C 3.55Å; R443-G446 WeakPolarHBondContact O-CA 3.44Å; R443-G446 PolarHBondContact O-N 3.3Å; R443-G446 VanDerWaalsContact O-N 3.12Å; S444-G446 VanDerWaalsContact C-N 3.32Å; G446-N449 PolarHBondContact O-N 3.46Å; G446-A450 WeakPolarHBondContact O-CB 3.5Å; G446-A450 PolarHBondContact O-N 3.11Å
447M89.5Confident86.5Confident13 Ų1353.1 Ų53.16%0.06428%0.28CS..Hα-helixtrans-62.5-45.6175.2-69.4-173-7700112.1V417 R443 S444 N449 A450 I451 S503 G586V417-M447 HydrophobicContact CG1-CE 4.01Å; R443-M447 WeakPolarHBondContact O-CG 3.41Å; R443-M447 PolarHBondContact O-N 3.17Å; S444-M447 PolarHBondContact O-N 3.37Å; M447-N449 PolarHBondContact O-N 3.07Å; M447-A450 PolarHBondContact O-N 2.94Å; M447-I451 PolarHBondContact O-N 3.23Å; M447-S503 PolarHBondContact SD-OG 3Å; M447-G586 WeakPolarHBondContact SD-CA 3.4Å
448L89.9Confident87Confident17 Ų1751.6 Ų51.69%0.08927%0.27CS..Hα-helixtrans-60.3-46176.4-73.9164.8000111.4V417 S444 T445 A450 I451 Q452 C465 Y467V417-L448 HydrophobicContact CB-CD1 4.42Å; V417-L448 HydrophobicContact CB-CD2 3.95Å; V417-L448 HydrophobicContact CB-CG 4.07Å; V417-L448 HydrophobicContact CG2-CD2 3.49Å; V417-L448 VanDerWaalsContact CG2-CD2 3.49Å; V417-L448 HydrophobicContact CG2-CG 3.77Å; S444-L448 WeakPolarHBondContact O-CG 3.3Å; S444-L448 PolarHBondContact O-N 2.92Å; T445-L448 PolarHBondContact O-N 2.97Å; L448-A450 VanDerWaalsContact C-N 3.31Å; L448-A450 PolarHBondContact O-N 3.25Å; L448-I451 PolarHBondContact O-N 3.03Å; L448-Q452 WeakPolarHBondContact O-CB 3.47Å; L448-Q452 VanDerWaalsContact O-CG 3.28Å; L448-Q452 WeakPolarHBondContact O-CG 3.29Å; L448-Q452 PolarHBondContact O-N 3.44Å; L448-C465 HydrophobicContact CD2-CB 4.12Å; L448-Y467 HydrophobicContact CD1-CD2 3.85Å; L448-Y467 HydrophobicContact CD1-CG 3.89Å
449N91.1Very high87.3Confident92 Ų9246.5 Ų46.549%0.49225%0.247SC..Hα-helixtrans-61.8-39.5176.4-72.5-21000111.7T445 G446 M447 Q452 R453T445-N449 WeakPolarHBondContact O-CB 3.27Å; T445-N449 VanDerWaalsContact O-CG 3.23Å; T445-N449 PolarHBondContact O-N 3.49Å; T445-N449 PolarHBondContact O-ND2 2.95Å; G446-N449 PolarHBondContact O-N 3.46Å; M447-N449 PolarHBondContact O-N 3.07Å; N449-Q452 PolarHBondContact O-N 3.37Å; N449-R453 WeakPolarHBondContact O-CB 3.31Å; N449-R453 PolarHBondContact O-N 3.34Å
450A91.9Very high87.7Confident18 Ų1841.9 Ų41.915%0.14923%0.225CC..Hα-helixtrans-63.8-43.9176.500000111.7G446 M447 L448 R453 F454 T589 V593G446-A450 WeakPolarHBondContact O-CB 3.5Å; G446-A450 PolarHBondContact O-N 3.11Å; M447-A450 PolarHBondContact O-N 2.94Å; L448-A450 VanDerWaalsContact C-N 3.31Å; L448-A450 PolarHBondContact O-N 3.25Å; A450-R453 WeakPolarHBondContact O-CB 3.31Å; A450-R453 PolarHBondContact O-N 3.26Å; A450-F454 PolarHBondContact O-N 3.05Å; A450-T589 HydrophobicContact CB-CG2 4.26Å; A450-V593 HydrophobicContact CB-CG2 4.28Å; A450-V593 WeakPolarHBondContact O-CG1 3.41Å
451I93Very high88.3Confident2 Ų245 Ų451%0.0124%0.24CC..Hα-helixtrans-71.6-36.4177.9-69-65.7000112.3A415 M447 L448 R453 F454 F455 Y501 T589 W592 V593A415-I451 HydrophobicContact CB-CG2 3.68Å; M447-I451 PolarHBondContact O-N 3.23Å; L448-I451 PolarHBondContact O-N 3.03Å; I451-R453 VanDerWaalsContact C-N 3.32Å; I451-R453 PolarHBondContact O-N 3.35Å; I451-F454 WeakPolarHBondContact O-CB 3.46Å; I451-F454 PolarHBondContact O-N 3.05Å; I451-F454 VanDerWaalsContact O-N 3.16Å; I451-F455 HydrophobicContact CG2-CD1 4.5Å; I451-F455 HydrophobicContact CG2-CD2 4.17Å; I451-F455 HydrophobicContact CG2-CE1 4.07Å; I451-F455 HydrophobicContact CG2-CE2 3.71Å; I451-F455 HydrophobicContact CG2-CZ 3.64Å; I451-F455 WeakPolarHBondContact O-CG 3.18Å; I451-F455 PolarHBondContact O-N 2.88Å; I451-Y501 HydrophobicContact CD1-CD1 4.36Å; I451-Y501 HydrophobicContact CD1-CD2 3.48Å; I451-Y501 VanDerWaalsContact CD1-CD2 3.48Å; I451-Y501 HydrophobicContact CD1-CE1 4.43Å; I451-Y501 HydrophobicContact CD1-CE2 3.58Å; I451-Y501 HydrophobicContact CD1-CG 3.89Å; I451-Y501 HydrophobicContact CG1-CD1 3.9Å; I451-Y501 HydrophobicContact CG1-CD2 3.91Å; I451-Y501 HydrophobicContact CG1-CE1 3.78Å; I451-Y501 HydrophobicContact CG1-CE2 3.8Å; I451-Y501 HydrophobicContact CG1-CG 3.95Å; I451-Y501 HydrophobicContact CG2-CD1 4.38Å; I451-Y501 HydrophobicContact CG2-CG 4.36Å; I451-T589 HydrophobicContact CD1-CG2 3.81Å; I451-T589 HydrophobicContact CG1-CG2 3.78Å; I451-W592 HydrophobicContact CD1-CZ3 4.48Å; I451-V593 HydrophobicContact CD1-CG2 4.07Å
452Q91.8Very high88.7Confident88 Ų8846 Ų4641%0.41125%0.248SC..Hα-helixtrans-62.5-41.4171-74.5177-7.800111.2L448 N449 F454 F455 A456 C465L448-Q452 WeakPolarHBondContact O-CB 3.47Å; L448-Q452 VanDerWaalsContact O-CG 3.28Å; L448-Q452 WeakPolarHBondContact O-CG 3.29Å; L448-Q452 PolarHBondContact O-N 3.44Å; N449-Q452 PolarHBondContact O-N 3.37Å; Q452-F454 VanDerWaalsContact C-N 3.31Å; Q452-F454 PolarHBondContact O-N 2.91Å; Q452-F455 PolarHBondContact O-N 2.87Å; Q452-A456 WeakPolarHBondContact O-CB 3.18Å; Q452-A456 PolarHBondContact O-N 2.99Å; Q452-C465 HydrophobicContact CG-CB 4.45Å
453R90.9Very high89Confident114 Ų11443.3 Ų43.343%0.4323%0.228SC..Hα-helixtrans-59.9-42.6171.7-172.6-178.975.2150.5-2.2110.9N449 A450 I451 A456 Y457 E594N449-R453 WeakPolarHBondContact O-CB 3.31Å; N449-R453 PolarHBondContact O-N 3.34Å; A450-R453 WeakPolarHBondContact O-CB 3.31Å; A450-R453 PolarHBondContact O-N 3.26Å; I451-R453 VanDerWaalsContact C-N 3.32Å; I451-R453 PolarHBondContact O-N 3.35Å; R453-A456 PolarHBondContact O-N 2.86Å; R453-Y457 WeakPolarHBondContact O-CB 3.38Å; R453-Y457 PolarHBondContact O-N 3.3Å; R453-E594 IonicContact CZ-OE2 2.65Å; R453-E594 IonicContact NH1-OE2 3.23Å; R453-E594 PolarHBondContact NH1-OE2 2.96Å; R453-E594 IonicContact NH2-OE2 3.04Å; R453-E594 PolarHBondContact NH2-OE2 3.28Å
454F91.1Very high89.3Confident1 Ų141.4 Ų41.40%0.00423%0.227CC..Hα-helixtrans-61.2-48.8175.8175.4-98.4000112.2A450 I451 Q452 A456 Y457 H458 I460 W592 V593 N596 F692A450-F454 PolarHBondContact O-N 3.05Å; I451-F454 WeakPolarHBondContact O-CB 3.46Å; I451-F454 PolarHBondContact O-N 3.05Å; I451-F454 VanDerWaalsContact O-N 3.16Å; Q452-F454 VanDerWaalsContact C-N 3.31Å; Q452-F454 PolarHBondContact O-N 2.91Å; F454-A456 PolarHBondContact O-N 2.73Å; F454-Y457 PolarHBondContact O-N 3.36Å; F454-H458 AromaticContact CD2-CD2 3.4Å; F454-H458 WeakPolarHBondContact CD2-CD2 3.17Å; F454-H458 AromaticContact CD2-NE2 3.71Å; F454-H458 AromaticContact CE2-CD2 3.2Å; F454-H458 WeakPolarHBondContact CE2-CD2 3.35Å; F454-H458 AromaticContact CE2-NE2 3.42Å; F454-H458 WeakPolarHBondContact CE2-NE2 3.3Å; F454-H458 AromaticContact CZ-CD2 3.74Å; F454-H458 PolarHBondContact O-CD2 3.15Å; F454-H458 PolarHBondContact O-N 3.44Å; F454-I460 HydrophobicContact CD1-CD1 4.08Å; F454-I460 HydrophobicContact CE1-CD1 3.52Å; F454-I460 HydrophobicContact CZ-CD1 4.14Å; F454-W592 HydrophobicContact CD1-CH2 4.38Å; F454-W592 HydrophobicContact CD1-CZ3 4.13Å; F454-W592 HydrophobicContact CD2-CH2 4.17Å; F454-W592 AromaticContact CD2-CZ3 3.83Å; F454-W592 HydrophobicContact CD2-CZ3 3.83Å; F454-W592 AromaticContact CE1-CH2 3.78Å; F454-W592 HydrophobicContact CE1-CH2 3.78Å; F454-W592 AromaticContact CE1-CZ3 3.99Å; F454-W592 HydrophobicContact CE1-CZ3 3.99Å; F454-W592 AromaticContact CE2-CH2 3.51Å; F454-W592 HydrophobicContact CE2-CH2 3.51Å; F454-W592 HydrophobicContact CE2-CZ2 4.29Å; F454-W592 AromaticContact CE2-CZ3 3.66Å; F454-W592 HydrophobicContact CE2-CZ3 3.66Å; F454-W592 HydrophobicContact CG-CZ3 4.08Å; F454-W592 AromaticContact CZ-CH2 3.31Å; F454-W592 HydrophobicContact CZ-CH2 3.31Å; F454-W592 HydrophobicContact CZ-CZ2 4.23Å; F454-W592 AromaticContact CZ-CZ3 3.77Å; F454-W592 HydrophobicContact CZ-CZ3 3.77Å; F454-V593 HydrophobicContact CB-CG1 4.05Å; F454-V593 HydrophobicContact CB-CG2 3.99Å; F454-N596 HydrophobicContact CD2-CB 4.3Å; F454-N596 HydrophobicContact CE2-CB 3.96Å; F454-F692 HydrophobicContact CE2-CB 3.9Å; F454-F692 HydrophobicContact CE2-CD2 4.43Å; F454-F692 HydrophobicContact CE2-CG 4.1Å; F454-F692 HydrophobicContact CZ-CB 3.98Å; F454-F692 AromaticContact CZ-CD1 3.9Å; F454-F692 HydrophobicContact CZ-CD1 3.9Å; F454-F692 AromaticContact CZ-CD2 3.84Å; F454-F692 HydrophobicContact CZ-CD2 3.84Å; F454-F692 HydrophobicContact CZ-CE1 4.31Å; F454-F692 HydrophobicContact CZ-CE2 4.25Å; F454-F692 AromaticContact CZ-CG 3.65Å; F454-F692 HydrophobicContact CZ-CG 3.65Å; F454-F692 HydrophobicContact CZ-CZ 4.47Å
455F92Very high89.4Confident1 Ų142.7 Ų42.70%0.00424%0.236CC..Hα-helixtrans-61.7-45.1177.7-67.9-17.9000111.9A415 I451 Q452 H458 M459 I460 T462 I499A415-F455 HydrophobicContact CB-CE2 4.07Å; A415-F455 HydrophobicContact CB-CZ 4.35Å; I451-F455 HydrophobicContact CG2-CD1 4.5Å; I451-F455 HydrophobicContact CG2-CD2 4.17Å; I451-F455 HydrophobicContact CG2-CE1 4.07Å; I451-F455 HydrophobicContact CG2-CE2 3.71Å; I451-F455 HydrophobicContact CG2-CZ 3.64Å; I451-F455 WeakPolarHBondContact O-CG 3.18Å; I451-F455 PolarHBondContact O-N 2.88Å; Q452-F455 PolarHBondContact O-N 2.87Å; F455-H458 PolarHBondContact O-N 3.17Å; F455-M459 PolarHBondContact O-N 2.85Å; F455-I460 HydrophobicContact CB-CB 4.16Å; F455-I460 HydrophobicContact CD1-CB 4.07Å; F455-I460 HydrophobicContact CD1-CD1 3.77Å; F455-I460 HydrophobicContact CD1-CG2 3.96Å; F455-I460 HydrophobicContact CE1-CD1 4.42Å; F455-I460 HydrophobicContact CE1-CG2 4.43Å; F455-I460 HydrophobicContact CG-CB 4.35Å; F455-I460 HydrophobicContact CG-CG2 4.33Å; F455-I460 PolarHBondContact O-N 3.24Å; F455-T462 HydrophobicContact CD2-CG2 4.06Å; F455-T462 HydrophobicContact CE2-CG2 4.49Å; F455-I499 HydrophobicContact CE1-CG2 4.23Å
456A88Confident89.5Confident65 Ų6541.3 Ų41.354%0.53723%0.226SC..Hα-helixtrans-62.7-46.4175.900000111.8Q452 R453 F454 H458 M459Q452-A456 WeakPolarHBondContact O-CB 3.18Å; Q452-A456 PolarHBondContact O-N 2.99Å; R453-A456 PolarHBondContact O-N 2.86Å; F454-A456 PolarHBondContact O-N 2.73Å; A456-H458 VanDerWaalsContact C-N 3.32Å; A456-H458 PolarHBondContact O-N 2.82Å; A456-M459 PolarHBondContact O-N 3.45Å; A456-M459 VanDerWaalsContact O-N 3.17Å
457Y85.4Confident89.4Confident50 Ų5043.2 Ų43.220%0.19622%0.222CC..Hα-helixtrans-63.5-35.6-179.4-174.7-89.3000112.1R342 R453 F454 C597R342-Y457 PolarHBondContact NH1-O 2.83Å; R342-Y457 PolarHBondContact NH2-O 3Å; R453-Y457 WeakPolarHBondContact O-CB 3.38Å; R453-Y457 PolarHBondContact O-N 3.3Å; F454-Y457 PolarHBondContact O-N 3.36Å; Y457-C597 HydrophobicContact CD1-CB 3.99Å; Y457-C597 HydrophobicContact CD2-CB 4.18Å; Y457-C597 HydrophobicContact CE1-CB 4.35Å; Y457-C597 WeakPolarHBondContact CE2-O 3.28Å; Y457-C597 HydrophobicContact CG-CB 3.9Å; Y457-C597 PolarHBondContact OH-O 2.9Å
458H85.5Confident89Confident3 Ų343.5 Ų43.51%0.01423%0.226CC..Hα-helixtrans-94.65.2177.4-67.3-72.7000113.9F454 F455 A456 I460 N596 G691F454-H458 AromaticContact CD2-CD2 3.4Å; F454-H458 WeakPolarHBondContact CD2-CD2 3.17Å; F454-H458 AromaticContact CD2-NE2 3.71Å; F454-H458 AromaticContact CE2-CD2 3.2Å; F454-H458 WeakPolarHBondContact CE2-CD2 3.35Å; F454-H458 AromaticContact CE2-NE2 3.42Å; F454-H458 WeakPolarHBondContact CE2-NE2 3.3Å; F454-H458 AromaticContact CZ-CD2 3.74Å; F454-H458 PolarHBondContact O-CD2 3.15Å; F454-H458 PolarHBondContact O-N 3.44Å; F455-H458 PolarHBondContact O-N 3.17Å; A456-H458 VanDerWaalsContact C-N 3.32Å; A456-H458 PolarHBondContact O-N 2.82Å; H458-I460 HydrophobicContact CB-CD1 3.73Å; H458-I460 HydrophobicContact CB-CG1 3.91Å; H458-I460 PolarHBondContact O-N 3.33Å; H458-N596 PolarHBondContact CE1-O 3.49Å; H458-N596 PolarHBondContact NE2-O 2.83Å; H458-G691 PolarHBondContact CE1-O 3.16Å; H458-G691 PolarHBondContact ND1-O 3.12Å
459M85.2Confident88.2Confident37 Ų3745.9 Ų45.918%0.18224%0.241CC..THydrogen-bonded Turntrans56.537.4-176.9-65-80.3171.900113N338 I343 S346 F455 A456N338-M459 HydrophobicContact CB-CE 4.45Å; N338-M459 WeakPolarHBondContact ND2-CE 3.49Å; I343-M459 HydrophobicContact CG1-CE 4.49Å; S346-M459 WeakPolarHBondContact CB-O 3.38Å; F455-M459 PolarHBondContact O-N 2.85Å; A456-M459 PolarHBondContact O-N 3.45Å; A456-M459 VanDerWaalsContact O-N 3.17Å
460I88.4Confident87Confident9 Ų946.3 Ų46.35%0.04625%0.251CS..  trans-80.7129.3176.4-62.6161.4000108.3S411 G413 F454 F455 H458 T462 I499 F692S411-I460 WeakPolarHBondContact OG-CG1 3.31Å; G413-I460 VanDerWaalsContact N-CG2 3.26Å; F454-I460 HydrophobicContact CD1-CD1 4.08Å; F454-I460 HydrophobicContact CE1-CD1 3.52Å; F454-I460 HydrophobicContact CZ-CD1 4.14Å; F455-I460 HydrophobicContact CB-CB 4.16Å; F455-I460 HydrophobicContact CD1-CB 4.07Å; F455-I460 HydrophobicContact CD1-CD1 3.77Å; F455-I460 HydrophobicContact CD1-CG2 3.96Å; F455-I460 HydrophobicContact CE1-CD1 4.42Å; F455-I460 HydrophobicContact CE1-CG2 4.43Å; F455-I460 HydrophobicContact CG-CB 4.35Å; F455-I460 HydrophobicContact CG-CG2 4.33Å; F455-I460 PolarHBondContact O-N 3.24Å; H458-I460 HydrophobicContact CB-CD1 3.73Å; H458-I460 HydrophobicContact CB-CG1 3.91Å; H458-I460 PolarHBondContact O-N 3.33Å; I460-T462 PolarHBondContact O-N 3.5Å; I460-I499 HydrophobicContact CD1-CD1 3.49Å; I460-I499 VanDerWaalsContact CD1-CD1 3.49Å; I460-I499 HydrophobicContact CG1-CD1 4.09Å; I460-I499 HydrophobicContact CG2-CD1 4.26Å; I460-F692 HydrophobicContact CD1-CE1 4.34Å
461E88.9Confident86.1Confident87 Ų8746.4 Ų46.441%0.40725%0.253SS..EExtended strand (participates in β ladder)trans-65.9122.2175.5-174170.9160.500109.8S411 V412 G413 Y463 H495S411-E461 PolarHBondContact O-N 3.19Å; V412-E461 CarbonylContact C-O 3.58Å; V412-E461 WeakPolarHBondContact CA-O 3.4Å; V412-E461 HydrophobicContact CB-CB 4.48Å; V412-E461 HydrophobicContact CG2-CB 4.43Å; V412-E461 VanDerWaalsContact CG2-O 3.28Å; V412-E461 WeakPolarHBondContact CG2-O 3.33Å; G413-E461 PolarHBondContact N-O 3.07Å; E461-Y463 PolarHBondContact O-N 2.88Å; E461-H495 IonicContact OE2-CE1 3.09Å; E461-H495 PolarHBondContact OE2-CE1 2.97Å; E461-H495 VanDerWaalsContact OE2-CE1 3.23Å; E461-H495 IonicContact OE2-NE2 3.02Å
462T90.9Very high85.5Confident71 Ų7147.1 Ų47.144%0.43626%0.257SS..EExtended strand (participates in β ladder)trans-88.8113.1-177.5-56.90000109.4F455 I460F455-T462 HydrophobicContact CD2-CG2 4.06Å; F455-T462 HydrophobicContact CE2-CG2 4.49Å; I460-T462 PolarHBondContact O-N 3.5Å
463Y91.6Very high85.1Confident79 Ų7945.1 Ų45.131%0.3125%0.253SS..EExtended strand (participates in β ladder)trans-69.5-43.4169.9172.8-100.6000110.7G413 Y414 E461 A483 F484 L487G413-Y463 PolarHBondContact O-N 2.67Å; Y414-Y463 HydrophobicContact CD1-CD1 4.45Å; Y414-Y463 AromaticContact CD2-CD1 3.58Å; Y414-Y463 HydrophobicContact CD2-CD1 3.58Å; Y414-Y463 HydrophobicContact CD2-CE1 4.19Å; Y414-Y463 HydrophobicContact CE2-CD1 4.05Å; Y414-Y463 HydrophobicContact CE2-CE1 4.22Å; Y414-Y463 AromaticContact CG-CD1 3.83Å; Y414-Y463 HydrophobicContact CG-CD1 3.83Å; Y414-Y463 HydrophobicContact CG-CE1 4.49Å; E461-Y463 PolarHBondContact O-N 2.88Å; Y463-A483 HydrophobicContact CE2-CB 4.47Å; Y463-A483 WeakPolarHBondContact OH-CB 3.46Å; Y463-F484 HydrophobicContact CD1-CB 3.88Å; Y463-F484 HydrophobicContact CD1-CD2 4.09Å; Y463-F484 HydrophobicContact CD1-CG 4.36Å; Y463-F484 HydrophobicContact CD2-CB 4.44Å; Y463-F484 HydrophobicContact CD2-CD2 4.5Å; Y463-F484 HydrophobicContact CE1-CB 3.93Å; Y463-F484 HydrophobicContact CE2-CB 4.48Å; Y463-F484 HydrophobicContact CG-CB 4.15Å; Y463-F484 AromaticContact CG-CD2 3.85Å; Y463-F484 HydrophobicContact CG-CD2 3.85Å; Y463-F484 HydrophobicContact CG-CG 4.46Å; Y463-L487 HydrophobicContact CD2-CD1 4.38Å; Y463-L487 HydrophobicContact CD2-CD2 4.39Å
464G89.9Confident84.9Confident18 Ų1842.4 Ų42.419%0.18624%0.244CC..EExtended strand (participates in β ladder)trans180163.3178.200000112.5Y414 A415Y414-G464 WeakPolarHBondContact CD2-O 3.41Å; A415-G464 PolarHBondContact N-O 3.41Å
465C89.1Confident84.6Confident32 Ų3248 Ų4822%0.21627%0.274CS..EExtended strand (participates in β ladder)trans-131.495.9170.6-68.90000106.8A415 L448 Q452A415-C465 HydrophobicContact CB-CB 4.38Å; A415-C465 CarbonylContact O-C 3.57Å; A415-C465 WeakPolarHBondContact O-CA 3.49Å; L448-C465 HydrophobicContact CD2-CB 4.12Å; Q452-C465 HydrophobicContact CG-CB 4.45Å
466D88.3Confident84.4Confident34 Ų3450.7 Ų50.718%0.18229%0.291CS..EExtended strand (participates in β ladder)trans-88.7131.1-176.1-76.6-31.5000110.9Y414 A415 V417 K480Y414-D466 HydrophobicContact CE2-CB 4.41Å; Y414-D466 WeakPolarHBondContact CE2-OD2 3.41Å; Y414-D466 PolarHBondContact OH-OD2 3.42Å; A415-D466 PolarHBondContact O-N 2.71Å; V417-D466 PolarHBondContact N-O 3.48Å; D466-K480 IonicContact OD1-NZ 2.65Å; D466-K480 PolarHBondContact OD1-NZ 3.35Å; D466-K480 WeakPolarHBondContact OD2-CD 3.47Å; D466-K480 IonicContact OD2-NZ 2.68Å; D466-K480 PolarHBondContact OD2-NZ 2.89Å
467Y85.1Confident84.4Confident77 Ų7747.7 Ų47.730%0.30227%0.266SS..EExtended strand (participates in β ladder)trans-117.7123.6170.8-176.4-122.8000108.7V417 P419 N441 S444 L448 T469V417-Y467 HydrophobicContact CB-CD2 4.37Å; V417-Y467 HydrophobicContact CG1-CD2 4.25Å; V417-Y467 HydrophobicContact CG1-CE2 4.48Å; P419-Y467 HydrophobicContact CG-CE2 4.15Å; N441-Y467 PolarHBondContact OD1-OH 3.19Å; S444-Y467 VanDerWaalsContact CB-CE2 3.43Å; L448-Y467 HydrophobicContact CD1-CD2 3.85Å; L448-Y467 HydrophobicContact CD1-CG 3.89Å; Y467-T469 HydrophobicContact CD1-CG2 4.42Å; Y467-T469 HydrophobicContact CE1-CG2 3.5Å; Y467-T469 WeakPolarHBondContact OH-CG2 3.02Å
468S81.4Confident84.7Confident19 Ų1947.6 Ų47.613%0.13327%0.267CS..  trans-133.3112.9174.8-171.80000111.7V417 P419 G471V417-S468 PolarHBondContact O-N 3.47Å; P419-S468 WeakPolarHBondContact CD-O 3.37Å; S468-G471 PolarHBondContact OG-N 3.37Å; S468-G471 PolarHBondContact OG-O 2.98Å
469T72.3Confident84.9Confident66 Ų6650.7 Ų50.741%0.40529%0.289SS..THydrogen-bonded Turntrans-72.5-29.6176.749.10000113.1Y467Y467-T469 HydrophobicContact CD1-CG2 4.42Å; Y467-T469 HydrophobicContact CE1-CG2 3.5Å; Y467-T469 WeakPolarHBondContact OH-CG2 3.02Å
470S66.5Low85.2Confident102 Ų10251.8 Ų51.871%0.71329%0.293SS*.THydrogen-bonded Turntrans-94.18.7-179.661.20000113.8
471G72.1Confident85.4Confident19 Ų1951.4 Ų51.420%0.19629%0.291CS..  trans78.6171.4-170.800000113.9S468S468-G471 PolarHBondContact OG-N 3.37Å; S468-G471 PolarHBondContact OG-O 2.98Å
472L80.3Confident85.5Confident17 Ų1749.5 Ų49.59%0.08928%0.281CS..  trans-114.3133.1177.5-80.2160.3000109I416 I418 T476 L514 A515I416-L472 HydrophobicContact CG2-CD1 3.67Å; I418-L472 HydrophobicContact CD1-CB 4.31Å; I418-L472 HydrophobicContact CD1-CD1 4.04Å; I418-L472 HydrophobicContact CD1-CG 4.48Å; I418-L472 HydrophobicContact CG1-CD1 4.27Å; L472-T476 HydrophobicContact CD2-CG2 4.18Å; L472-L514 WeakPolarHBondContact O-CB 3.07Å; L472-A515 PolarHBondContact O-N 3.4Å
473S84.3Confident85.5Confident47 Ų4748.1 Ų48.133%0.32928%0.277SS..BIsolated β-bridgetrans-71.6154.8171.667.20000111.2D475 T476 L477S473-D475 VanDerWaalsContact C-N 3.34Å; S473-D475 PolarHBondContact O-N 3.39Å; S473-T476 PolarHBondContact O-N 2.69Å; S473-T476 PolarHBondContact OG-OG1 2.82Å; S473-L477 WeakPolarHBondContact O-CB 3.4Å; S473-L477 PolarHBondContact O-N 2.94Å
474F85.6Confident85.6Confident56 Ų5644.4 Ų44.425%0.24626%0.262CS..Hα-helixtrans-56.9-45178.7-176.4-92.1000112.5T476 L477 H478 L514 D518 L520 W528F474-T476 PolarHBondContact O-N 2.81Å; F474-L477 PolarHBondContact O-N 3.23Å; F474-H478 HydrophobicContact CD1-CB 4.46Å; F474-H478 HydrophobicContact CE1-CB 4.31Å; F474-H478 WeakPolarHBondContact O-CB 3.4Å; F474-H478 PolarHBondContact O-N 3.21Å; F474-L514 HydrophobicContact CB-CD1 4.07Å; F474-L514 HydrophobicContact CD2-CD1 3.77Å; F474-L514 HydrophobicContact CG-CD1 4.4Å; F474-D518 HydrophobicContact CB-CB 4.02Å; F474-L520 HydrophobicContact CE2-CD1 4.26Å; F474-W528 HydrophobicContact CE1-CZ2 4.39Å; F474-W528 HydrophobicContact CE2-CH2 4.09Å; F474-W528 HydrophobicContact CE2-CZ2 4.29Å; F474-W528 AromaticContact CZ-CH2 3.92Å; F474-W528 HydrophobicContact CZ-CH2 3.92Å; F474-W528 AromaticContact CZ-CZ2 3.7Å; F474-W528 HydrophobicContact CZ-CZ2 3.7Å
475D86.4Confident85.7Confident119 Ų11943.6 Ų43.664%0.63625%0.254SS*.Hα-helixtrans-63.7-40-178.5-66.6-36.3000113.3S473 S479S473-D475 VanDerWaalsContact C-N 3.34Å; S473-D475 PolarHBondContact O-N 3.39Å; D475-S479 WeakPolarHBondContact O-CB 3.49Å; D475-S479 PolarHBondContact O-N 3.45Å; D475-S479 PolarHBondContact O-OG 3.42Å
476T86.8Confident85.7Confident57 Ų5746.1 Ų46.135%0.3526%0.263SS..Hα-helixtrans-66.9-42.8177.4-52.20000110.4L472 S473 F474 S479 K480L472-T476 HydrophobicContact CD2-CG2 4.18Å; S473-T476 PolarHBondContact O-N 2.69Å; S473-T476 PolarHBondContact OG-OG1 2.82Å; F474-T476 PolarHBondContact O-N 2.81Å; T476-S479 PolarHBondContact O-OG 2.93Å; T476-K480 WeakPolarHBondContact O-CB 3.44Å; T476-K480 WeakPolarHBondContact O-CG 3.48Å; T476-K480 PolarHBondContact O-N 3.2Å; T476-K480 VanDerWaalsContact O-N 3.15Å
477L88.3Confident85.7Confident2 Ų246.6 Ų46.61%0.0127%0.265CS..Hα-helixtrans-67.6-43.8178.4-178.660.6000111.6I416 S473 F474 K480 L481 W512 L514 L520I416-L477 HydrophobicContact CD1-CD1 3.55Å; S473-L477 WeakPolarHBondContact O-CB 3.4Å; S473-L477 PolarHBondContact O-N 2.94Å; F474-L477 PolarHBondContact O-N 3.23Å; L477-K480 PolarHBondContact O-N 2.9Å; L477-L481 HydrophobicContact CD1-CD1 3.7Å; L477-L481 HydrophobicContact CD1-CG 3.91Å; L477-L481 HydrophobicContact CD2-CD1 4.4Å; L477-L481 HydrophobicContact CG-CD1 3.73Å; L477-L481 HydrophobicContact CG-CG 4.32Å; L477-L481 VanDerWaalsContact O-CB 3.27Å; L477-L481 WeakPolarHBondContact O-CB 3.4Å; L477-L481 WeakPolarHBondContact O-CG 3.47Å; L477-L481 PolarHBondContact O-N 3.41Å; L477-W512 HydrophobicContact CD2-CE3 4.3Å; L477-L514 HydrophobicContact CD2-CD1 3.99Å; L477-L514 HydrophobicContact CD2-CD2 3.53Å; L477-L514 HydrophobicContact CD2-CG 4.43Å; L477-L520 HydrophobicContact CD2-CD2 4.05Å
478H90.9Very high85.7Confident48 Ų4848.4 Ų48.422%0.22227%0.271CS..Hα-helixtrans-60.2-47.3178.1172-128000111.9F474 K482 W528F474-H478 HydrophobicContact CD1-CB 4.46Å; F474-H478 HydrophobicContact CE1-CB 4.31Å; F474-H478 WeakPolarHBondContact O-CB 3.4Å; F474-H478 PolarHBondContact O-N 3.21Å; H478-K482 VanDerWaalsContact NE2-CD 3.31Å; H478-K482 WeakPolarHBondContact NE2-CD 3.34Å; H478-K482 WeakPolarHBondContact NE2-CE 3.34Å; H478-K482 PolarHBondContact NE2-NZ 3.31Å; H478-K482 WeakPolarHBondContact O-CB 3.22Å; H478-K482 PolarHBondContact O-N 3.45Å; H478-W528 HydrophobicContact CB-CH2 3.94Å; H478-W528 HydrophobicContact CB-CZ2 4.19Å; H478-W528 AromaticContact CD2-CD2 4Å; H478-W528 AromaticContact CD2-CE2 3.38Å; H478-W528 AromaticContact CD2-CH2 3.69Å; H478-W528 AromaticContact CD2-CZ2 3.21Å; H478-W528 WeakPolarHBondContact CD2-CZ2 3.26Å; H478-W528 AromaticContact CD2-NE1 3.84Å; H478-W528 AromaticContact CG-CZ2 3.93Å; H478-W528 AromaticContact NE2-CE2 3.92Å; H478-W528 AromaticContact NE2-NE1 3.88Å
479S90.5Very high85.8Confident68 Ų6848.2 Ų48.248%0.47627%0.269SS..Hα-helixtrans-63.9-46.3178.356.40000112.4D475 T476 K482 A483D475-S479 WeakPolarHBondContact O-CB 3.49Å; D475-S479 PolarHBondContact O-N 3.45Å; D475-S479 PolarHBondContact O-OG 3.42Å; T476-S479 PolarHBondContact O-OG 2.93Å; S479-K482 PolarHBondContact O-N 2.92Å; S479-A483 WeakPolarHBondContact O-CB 3.25Å; S479-A483 PolarHBondContact O-N 3.43Å
480K92.1Very high85.7Confident61 Ų6152 Ų5227%0.26529%0.292SS..Hα-helixtrans-64.7-44.4177.4-74.5-171.9172-174.30112.7Y414 D466 T476 L477 A483 F484Y414-K480 WeakPolarHBondContact OH-CD 3.32Å; D466-K480 IonicContact OD1-NZ 2.65Å; D466-K480 PolarHBondContact OD1-NZ 3.35Å; D466-K480 WeakPolarHBondContact OD2-CD 3.47Å; D466-K480 IonicContact OD2-NZ 2.68Å; D466-K480 PolarHBondContact OD2-NZ 2.89Å; T476-K480 WeakPolarHBondContact O-CB 3.44Å; T476-K480 WeakPolarHBondContact O-CG 3.48Å; T476-K480 PolarHBondContact O-N 3.2Å; T476-K480 VanDerWaalsContact O-N 3.15Å; L477-K480 PolarHBondContact O-N 2.9Å; K480-A483 PolarHBondContact O-N 2.89Å; K480-F484 WeakPolarHBondContact O-CB 3.4Å; K480-F484 PolarHBondContact O-N 3.42Å
481L92.1Very high85.6Confident0 Ų050 Ų500%027%0.273CS..Hα-helixtrans-64.3-43.4177.1-76.6173.8000111.3Y414 L477 A483 F484 L485 L500 L520 L525 W528Y414-L481 HydrophobicContact CD1-CD2 3.82Å; Y414-L481 HydrophobicContact CE1-CD2 3.79Å; Y414-L481 HydrophobicContact CE1-CG 4.34Å; L477-L481 HydrophobicContact CD1-CD1 3.7Å; L477-L481 HydrophobicContact CD1-CG 3.91Å; L477-L481 HydrophobicContact CD2-CD1 4.4Å; L477-L481 HydrophobicContact CG-CD1 3.73Å; L477-L481 HydrophobicContact CG-CG 4.32Å; L477-L481 VanDerWaalsContact O-CB 3.27Å; L477-L481 WeakPolarHBondContact O-CB 3.4Å; L477-L481 WeakPolarHBondContact O-CG 3.47Å; L477-L481 PolarHBondContact O-N 3.41Å; L481-A483 VanDerWaalsContact C-N 3.34Å; L481-A483 PolarHBondContact O-N 3.35Å; L481-F484 WeakPolarHBondContact O-CB 3.48Å; L481-F484 PolarHBondContact O-N 3.1Å; L481-L485 WeakPolarHBondContact O-CB 3.12Å; L481-L485 WeakPolarHBondContact O-CG 3.27Å; L481-L485 PolarHBondContact O-N 2.92Å; L481-L500 HydrophobicContact CD2-CD1 3.74Å; L481-L500 HydrophobicContact CD2-CD2 4.03Å; L481-L520 HydrophobicContact CD1-CD2 4.2Å; L481-L525 HydrophobicContact CD1-CD1 4.23Å; L481-W528 HydrophobicContact CB-CE3 4.45Å; L481-W528 HydrophobicContact CB-CZ3 4.44Å; L481-W528 HydrophobicContact CD1-CE3 4.34Å; L481-W528 HydrophobicContact CD1-CZ3 3.82Å
482K91.6Very high85.5Confident48 Ų4849.5 Ų49.521%0.20927%0.268CS..Hα-helixtrans-60.1-44.3175.3-82.7-169.4166.1174.90112.1H478 S479 F484 L485 E486 E531H478-K482 VanDerWaalsContact NE2-CD 3.31Å; H478-K482 WeakPolarHBondContact NE2-CD 3.34Å; H478-K482 WeakPolarHBondContact NE2-CE 3.34Å; H478-K482 PolarHBondContact NE2-NZ 3.31Å; H478-K482 WeakPolarHBondContact O-CB 3.22Å; H478-K482 PolarHBondContact O-N 3.45Å; S479-K482 PolarHBondContact O-N 2.92Å; K482-F484 PolarHBondContact O-N 2.71Å; K482-L485 PolarHBondContact O-N 3.17Å; K482-E486 WeakPolarHBondContact O-CB 3.41Å; K482-E486 WeakPolarHBondContact O-CG 3.35Å; K482-E486 PolarHBondContact O-N 2.85Å; K482-E531 IonicContact NZ-OE2 2.91Å; K482-E531 PolarHBondContact NZ-OE2 3.36Å
483A90.8Very high85.5Confident42 Ų4249.3 Ų49.335%0.34727%0.268SS..Hα-helixtrans-62.2-42.2175.900000112.3Y463 S479 K480 L481 E486 L487Y463-A483 HydrophobicContact CE2-CB 4.47Å; Y463-A483 WeakPolarHBondContact OH-CB 3.46Å; S479-A483 WeakPolarHBondContact O-CB 3.25Å; S479-A483 PolarHBondContact O-N 3.43Å; K480-A483 PolarHBondContact O-N 2.89Å; L481-A483 VanDerWaalsContact C-N 3.34Å; L481-A483 PolarHBondContact O-N 3.35Å; A483-E486 CarbonylContact O-C 3.34Å; A483-E486 PolarHBondContact O-N 3.48Å; A483-L487 PolarHBondContact O-N 3Å; A483-L487 VanDerWaalsContact O-N 3.16Å
484F93.3Very high85.5Confident0 Ų048.3 Ų48.30%026%0.257CS..Hα-helixtrans-60.2-49.3174.3166.6-112.8000112V412 Y414 Y463 K480 L481 K482 E486 L487 Y498 I499V412-F484 HydrophobicContact CB-CE2 4.35Å; V412-F484 HydrophobicContact CG1-CE2 3.8Å; V412-F484 HydrophobicContact CG1-CZ 4.32Å; V412-F484 HydrophobicContact CG2-CD2 4.28Å; V412-F484 HydrophobicContact CG2-CE2 3.83Å; Y414-F484 HydrophobicContact CD1-CB 4.43Å; Y414-F484 HydrophobicContact CD1-CD1 4.37Å; Y414-F484 HydrophobicContact CD1-CG 4.29Å; Y414-F484 HydrophobicContact CG-CD2 4.47Å; Y414-F484 HydrophobicContact CG-CG 4.41Å; Y463-F484 HydrophobicContact CD1-CB 3.88Å; Y463-F484 HydrophobicContact CD1-CD2 4.09Å; Y463-F484 HydrophobicContact CD1-CG 4.36Å; Y463-F484 HydrophobicContact CD2-CB 4.44Å; Y463-F484 HydrophobicContact CD2-CD2 4.5Å; Y463-F484 HydrophobicContact CE1-CB 3.93Å; Y463-F484 HydrophobicContact CE2-CB 4.48Å; Y463-F484 HydrophobicContact CG-CB 4.15Å; Y463-F484 AromaticContact CG-CD2 3.85Å; Y463-F484 HydrophobicContact CG-CD2 3.85Å; Y463-F484 HydrophobicContact CG-CG 4.46Å; K480-F484 WeakPolarHBondContact O-CB 3.4Å; K480-F484 PolarHBondContact O-N 3.42Å; L481-F484 WeakPolarHBondContact O-CB 3.48Å; L481-F484 PolarHBondContact O-N 3.1Å; K482-F484 PolarHBondContact O-N 2.71Å; F484-E486 PolarHBondContact O-N 3.4Å; F484-L487 WeakPolarHBondContact O-CB 3.27Å; F484-L487 PolarHBondContact O-N 3.46Å; F484-Y498 HydrophobicContact CD2-CD1 4.47Å; F484-Y498 HydrophobicContact CE1-CD1 4.04Å; F484-Y498 HydrophobicContact CE2-CD1 4Å; F484-Y498 AromaticContact CZ-CD1 3.77Å; F484-Y498 HydrophobicContact CZ-CD1 3.77Å; F484-Y498 HydrophobicContact CZ-CG 4.33Å; F484-Y498 VanDerWaalsContact O-CE1 3.23Å; F484-Y498 WeakPolarHBondContact O-CE1 3.49Å; F484-I499 WeakPolarHBondContact CZ-O 3.15Å
485L91.6Very high85.6Confident2 Ų245.7 Ų45.71%0.0125%0.246CC..Hα-helixtrans-64.6-21.8178.4-64.7-175.6000112.6L481 K482 W528 W529 K532 N533L481-L485 WeakPolarHBondContact O-CB 3.12Å; L481-L485 WeakPolarHBondContact O-CG 3.27Å; L481-L485 PolarHBondContact O-N 2.92Å; K482-L485 PolarHBondContact O-N 3.17Å; L485-W528 HydrophobicContact CD1-CB 4.05Å; L485-W529 HydrophobicContact CD1-CE3 4.45Å; L485-W529 HydrophobicContact CD2-CE3 3.53Å; L485-W529 HydrophobicContact CD2-CZ3 3.76Å; L485-W529 HydrophobicContact CG-CE3 4.45Å; L485-K532 HydrophobicContact CB-CB 4.37Å; L485-K532 HydrophobicContact CB-CG 4.45Å; L485-N533 PolarHBondContact O-ND2 3.25Å
486E89.4Confident85.7Confident85 Ų8540.5 Ų40.540%0.39722%0.218SC..THydrogen-bonded Turntrans-95.913.6173.6-69.9-174.9177.100114.3K482 A483 F484 R494 K532K482-E486 WeakPolarHBondContact O-CB 3.41Å; K482-E486 WeakPolarHBondContact O-CG 3.35Å; K482-E486 PolarHBondContact O-N 2.85Å; A483-E486 CarbonylContact O-C 3.34Å; A483-E486 PolarHBondContact O-N 3.48Å; F484-E486 PolarHBondContact O-N 3.4Å; E486-R494 PolarHBondContact O-NH1 3.33Å; E486-K532 HydrophobicContact CG-CB 4.47Å; E486-K532 HydrophobicContact CG-CD 3.87Å; E486-K532 HydrophobicContact CG-CG 4.1Å; E486-K532 WeakPolarHBondContact OE1-CD 3.43Å; E486-K532 WeakPolarHBondContact OE1-CE 3.29Å; E486-K532 IonicContact OE1-NZ 3.64Å; E486-K532 PolarHBondContact OE1-NZ 3.41Å
487L88Confident85.9Confident43 Ų4337.8 Ų37.823%0.22520%0.201CC..  trans-70147.7173.9-156.769.1000111.2V412 Y463 A483 F484 R494 Y498V412-L487 HydrophobicContact CB-CD2 4.33Å; V412-L487 HydrophobicContact CG2-CD2 3.42Å; V412-L487 VanDerWaalsContact CG2-CD2 3.42Å; Y463-L487 HydrophobicContact CD2-CD1 4.38Å; Y463-L487 HydrophobicContact CD2-CD2 4.39Å; A483-L487 PolarHBondContact O-N 3Å; A483-L487 VanDerWaalsContact O-N 3.16Å; F484-L487 WeakPolarHBondContact O-CB 3.27Å; F484-L487 PolarHBondContact O-N 3.46Å; L487-R494 WeakPolarHBondContact O-CD 3.42Å; L487-R494 PolarHBondContact O-NH1 3.45Å; L487-Y498 HydrophobicContact CB-CE1 4.47Å; L487-Y498 PolarHBondContact O-OH 3.37Å
488R86.1Confident86.2Confident116 Ų11637.7 Ų37.744%0.43820%0.201SC..BIsolated β-bridgetrans-129.9150174.7-64.5179.5174.6-128.96.6108.9G492R488-G492 WeakPolarHBondContact CD-O 3.28Å; R488-G492 PolarHBondContact NH1-O 3.04Å
489T82.2Confident86.4Confident15 Ų1535.5 Ų35.59%0.09219%0.191CC..  trans-62.4156.6169.663.10000110.4T410 D491 G492 P493 H495T410-T489 HydrophobicContact CG2-CG2 4.02Å; T489-D491 PolarHBondContact O-N 2.93Å; T489-D491 VanDerWaalsContact O-N 3.15Å; T489-G492 PolarHBondContact O-N 3.32Å; T489-P493 PolarHBondContact N-O 3.5Å; T489-P493 WeakPolarHBondContact OG1-CD 3.2Å; T489-P493 WeakPolarHBondContact OG1-CG 3.42Å; T489-P493 PolarHBondContact OG1-O 3.32Å; T489-H495 PolarHBondContact N-NE2 3.37Å
490V71.6Confident86.6Confident145 Ų14532.3 Ų32.388%0.87917%0.168SC*.THydrogen-bonded Turntrans-54.5-33.9176.7-176.90000112.2G492V490-G492 PolarHBondContact O-N 3.43Å
491D64.4Low86.8Confident60 Ų6029.5 Ų29.532%0.32116%0.156SC..THydrogen-bonded Turntrans-76.1-7.4-180-59.5-61.5000113.4K322 T489 P493K322-D491 IonicContact NZ-OD1 3.33Å; K322-D491 PolarHBondContact NZ-OD1 3.41Å; K322-D491 IonicContact NZ-OD2 2.73Å; K322-D491 PolarHBondContact NZ-OD2 3.28Å; T489-D491 PolarHBondContact O-N 2.93Å; T489-D491 VanDerWaalsContact O-N 3.15Å; D491-P493 WeakPolarHBondContact O-CD 3.46Å
492G69.6Low86.8Confident9 Ų929.6 Ų29.69%0.09316%0.156CC..SBendtrans111.8-32.9175.400000118.4R488 T489 V490R488-G492 WeakPolarHBondContact CD-O 3.28Å; R488-G492 PolarHBondContact NH1-O 3.04Å; T489-G492 PolarHBondContact O-N 3.32Å; V490-G492 PolarHBondContact O-N 3.43Å
493P79.3Confident86.8Confident12 Ų1227.4 Ų27.48%0.07815%0.147CC..SBendtrans-75.2161.9178.129.7-35.7000112.5T489 D491T489-P493 PolarHBondContact N-O 3.5Å; T489-P493 WeakPolarHBondContact OG1-CD 3.2Å; T489-P493 WeakPolarHBondContact OG1-CG 3.42Å; T489-P493 PolarHBondContact OG1-O 3.32Å; D491-P493 WeakPolarHBondContact O-CD 3.46Å
494R84.4Confident86.5Confident26 Ų2625.4 Ų25.410%0.09813%0.13CC..BIsolated β-bridgetrans-60.7157.4169.1-70.2-74.4-175.7-143.68.2110.7E486 L487 Y498 F536E486-R494 PolarHBondContact O-NH1 3.33Å; L487-R494 WeakPolarHBondContact O-CD 3.42Å; L487-R494 PolarHBondContact O-NH1 3.45Å; R494-Y498 WeakPolarHBondContact CD-OH 3.42Å; R494-F536 HydrophobicContact CG-CD1 4Å; R494-F536 HydrophobicContact CG-CD2 4.35Å; R494-F536 HydrophobicContact CG-CE1 4.29Å; R494-F536 HydrophobicContact CG-CG 4.04Å
495H87.8Confident85.9Confident2 Ų227 Ų271%0.00914%0.138CC..PPolyproline II helixtrans-67.4144.3170.6-67.6-92.8000110V412 E461 T489 T497 Y498 S538V412-H495 HydrophobicContact CB-CB 4.41Å; V412-H495 HydrophobicContact CG1-CB 3.85Å; E461-H495 IonicContact OE2-CE1 3.09Å; E461-H495 PolarHBondContact OE2-CE1 2.97Å; E461-H495 VanDerWaalsContact OE2-CE1 3.23Å; E461-H495 IonicContact OE2-NE2 3.02Å; T489-H495 PolarHBondContact N-NE2 3.37Å; H495-T497 VanDerWaalsContact C-N 3.31Å; H495-Y498 HydrophobicContact CB-CD2 4.41Å; H495-Y498 HydrophobicContact CB-CE2 3.86Å; H495-Y498 PolarHBondContact N-OH 3.06Å; H495-Y498 VanDerWaalsContact O-CE2 3.29Å; H495-Y498 WeakPolarHBondContact O-CE2 3.3Å; H495-S538 WeakPolarHBondContact O-CB 3.36Å; H495-S538 PolarHBondContact O-OG 3.48Å
496D88.3Confident85.6Confident10 Ų1027 Ų275%0.05314%0.138CC..SBendtrans-66.8-37.9176.7-76.6-53.4000110.5R350 G409 T410 R539 Y625 L627 H628R350-D496 IonicContact NH1-OD2 2.9Å; G409-D496 WeakPolarHBondContact CA-OD2 3.07Å; T410-D496 PolarHBondContact N-OD2 3.46Å; T410-D496 WeakPolarHBondContact O-CB 3.47Å; T410-D496 PolarHBondContact O-N 2.84Å; T410-D496 VanDerWaalsContact O-N 3.15Å; T410-D496 PolarHBondContact OG1-N 3.35Å; D496-R539 WeakPolarHBondContact O-CG 3.34Å; D496-R539 PolarHBondContact O-N 3.41Å; D496-Y625 WeakPolarHBondContact CB-OH 3.44Å; D496-Y625 PolarHBondContact O-OH 2.94Å; D496-L627 HydrophobicContact CB-CD2 3.85Å; D496-H628 VanDerWaalsContact OD1-CB 3.31Å; D496-H628 WeakPolarHBondContact OD1-CB 3.43Å; D496-H628 PolarHBondContact OD1-N 2.81Å
497T91.4Very high85.3Confident0 Ų025.8 Ų25.80%013%0.132CC..EExtended strand (participates in β ladder)trans-130.4127.4-177.2-50.60000112.1T410 S411 V412 H495 I499 R539 I541 Q690T410-T497 PolarHBondContact O-N 2.98Å; T410-T497 VanDerWaalsContact O-N 3.08Å; S411-T497 VanDerWaalsContact CA-O 3.26Å; S411-T497 WeakPolarHBondContact CA-O 3.27Å; V412-T497 PolarHBondContact N-O 3.15Å; H495-T497 VanDerWaalsContact C-N 3.31Å; T497-I499 HydrophobicContact CG2-CG1 4.1Å; T497-R539 HydrophobicContact CG2-CG 4.05Å; T497-R539 PolarHBondContact OG1-NE 3.24Å; T497-R539 PolarHBondContact OG1-NH2 3.35Å; T497-R539 VanDerWaalsContact OG1-NH2 3.07Å; T497-I541 HydrophobicContact CG2-CD1 3.75Å; T497-I541 HydrophobicContact CG2-CG1 4.2Å; T497-Q690 PolarHBondContact OG1-NE2 3.15Å
498Y94.2Very high84.9Confident0 Ų026.7 Ų26.70%015%0.152CC..EExtended strand (participates in β ladder)trans-105.1130.5170.4-68.8-104000108.8V412 F484 L487 R494 H495 W529 R539 L540 I541V412-Y498 HydrophobicContact CG1-CD1 3.28Å; V412-Y498 HydrophobicContact CG1-CD2 4.47Å; V412-Y498 HydrophobicContact CG1-CE1 3.49Å; V412-Y498 VanDerWaalsContact CG1-CE1 3.49Å; V412-Y498 HydrophobicContact CG1-CG 3.82Å; V412-Y498 CarbonylContact O-C 3.58Å; F484-Y498 HydrophobicContact CD2-CD1 4.47Å; F484-Y498 HydrophobicContact CE1-CD1 4.04Å; F484-Y498 HydrophobicContact CE2-CD1 4Å; F484-Y498 AromaticContact CZ-CD1 3.77Å; F484-Y498 HydrophobicContact CZ-CD1 3.77Å; F484-Y498 HydrophobicContact CZ-CG 4.33Å; F484-Y498 VanDerWaalsContact O-CE1 3.23Å; F484-Y498 WeakPolarHBondContact O-CE1 3.49Å; L487-Y498 HydrophobicContact CB-CE1 4.47Å; L487-Y498 PolarHBondContact O-OH 3.37Å; R494-Y498 WeakPolarHBondContact CD-OH 3.42Å; H495-Y498 HydrophobicContact CB-CD2 4.41Å; H495-Y498 HydrophobicContact CB-CE2 3.86Å; H495-Y498 PolarHBondContact N-OH 3.06Å; H495-Y498 VanDerWaalsContact O-CE2 3.29Å; H495-Y498 WeakPolarHBondContact O-CE2 3.3Å; Y498-W529 AromaticContact CD2-CH2 3.56Å; Y498-W529 HydrophobicContact CD2-CH2 3.56Å; Y498-W529 AromaticContact CD2-CZ3 3.77Å; Y498-W529 HydrophobicContact CD2-CZ3 3.77Å; Y498-W529 HydrophobicContact CE2-CH2 4.14Å; Y498-W529 HydrophobicContact CE2-CZ3 4.35Å; Y498-W529 HydrophobicContact CG-CH2 4.1Å; Y498-W529 AromaticContact CG-CZ3 3.88Å; Y498-W529 HydrophobicContact CG-CZ3 3.88Å; Y498-R539 PolarHBondContact N-O 3.32Å; Y498-L540 CarbonylContact O-C 3.58Å; Y498-L540 WeakPolarHBondContact O-CA 3.28Å; Y498-I541 PolarHBondContact O-N 2.95Å
499I95.2Very high84.6Confident2 Ų225.1 Ų25.11%0.0116%0.155CC..EExtended strand (participates in β ladder)trans-116.7117.7179.8-57.7166.2000107.9V412 G413 Y414 F455 I460 F484 T497 I541 F692V412-I499 PolarHBondContact O-N 3.34Å; G413-I499 CarbonylContact C-O 3.59Å; G413-I499 VanDerWaalsContact CA-O 3.32Å; G413-I499 WeakPolarHBondContact CA-O 3.43Å; Y414-I499 PolarHBondContact N-O 3.03Å; F455-I499 HydrophobicContact CE1-CG2 4.23Å; I460-I499 HydrophobicContact CD1-CD1 3.49Å; I460-I499 VanDerWaalsContact CD1-CD1 3.49Å; I460-I499 HydrophobicContact CG1-CD1 4.09Å; I460-I499 HydrophobicContact CG2-CD1 4.26Å; F484-I499 WeakPolarHBondContact CZ-O 3.15Å; T497-I499 HydrophobicContact CG2-CG1 4.1Å; I499-I541 CarbonylContact C-O 3.58Å; I499-I541 WeakPolarHBondContact CA-O 3.48Å; I499-I541 HydrophobicContact CG1-CB 4.45Å; I499-F692 HydrophobicContact CD1-CE1 3.68Å; I499-F692 HydrophobicContact CD1-CZ 3.5Å; I499-F692 HydrophobicContact CG1-CZ 4.17Å
500L95.8Very high84.6Confident1 Ų124.5 Ų24.51%0.00515%0.152CC..EExtended strand (participates in β ladder)trans-110.3114.1175.6-179.860.8000108.4Y414 I416 L481 W512 L525 L540 I541 I542 V543Y414-L500 HydrophobicContact CD1-CD1 3.69Å; Y414-L500 HydrophobicContact CE1-CD1 4.45Å; Y414-L500 HydrophobicContact CG-CD1 4.36Å; Y414-L500 WeakPolarHBondContact O-CA 3.28Å; I416-L500 HydrophobicContact CD1-CD1 4.13Å; L481-L500 HydrophobicContact CD2-CD1 3.74Å; L481-L500 HydrophobicContact CD2-CD2 4.03Å; L500-W512 HydrophobicContact CD2-CH2 3.79Å; L500-W512 HydrophobicContact CG-CH2 4.18Å; L500-L525 HydrophobicContact CD2-CD1 4.28Å; L500-L525 HydrophobicContact CD2-CD2 3.85Å; L500-L540 HydrophobicContact CB-CD1 4.48Å; L500-I541 PolarHBondContact N-O 2.87Å; L500-I542 CarbonylContact O-C 3.46Å; L500-I542 WeakPolarHBondContact O-CA 3.48Å; L500-V543 PolarHBondContact O-N 3.31Å
501Y95.4Very high85.4Confident2 Ų219.2 Ų19.21%0.00812%0.118CC..EExtended strand (participates in β ladder)trans-101.6130.9174.2171.9-91.5000109.6Y414 A415 I416 V417 I451 S503 V543 D545 T589Y414-Y501 PolarHBondContact O-N 2.84Å; A415-Y501 HydrophobicContact CB-CD1 3.9Å; A415-Y501 HydrophobicContact CB-CG 4.48Å; I416-Y501 PolarHBondContact N-O 2.97Å; V417-Y501 HydrophobicContact CG2-CE1 3.8Å; I451-Y501 HydrophobicContact CD1-CD1 4.36Å; I451-Y501 HydrophobicContact CD1-CD2 3.48Å; I451-Y501 VanDerWaalsContact CD1-CD2 3.48Å; I451-Y501 HydrophobicContact CD1-CE1 4.43Å; I451-Y501 HydrophobicContact CD1-CE2 3.58Å; I451-Y501 HydrophobicContact CD1-CG 3.89Å; I451-Y501 HydrophobicContact CG1-CD1 3.9Å; I451-Y501 HydrophobicContact CG1-CD2 3.91Å; I451-Y501 HydrophobicContact CG1-CE1 3.78Å; I451-Y501 HydrophobicContact CG1-CE2 3.8Å; I451-Y501 HydrophobicContact CG1-CG 3.95Å; I451-Y501 HydrophobicContact CG2-CD1 4.38Å; I451-Y501 HydrophobicContact CG2-CG 4.36Å; Y501-S503 WeakPolarHBondContact OH-CB 3.35Å; Y501-V543 WeakPolarHBondContact CA-O 3.46Å; Y501-V543 HydrophobicContact CD2-CB 4.03Å; Y501-V543 HydrophobicContact CD2-CG1 3.88Å; Y501-V543 HydrophobicContact CE2-CG1 4.36Å; Y501-D545 HydrophobicContact CE2-CB 4.38Å; Y501-T589 HydrophobicContact CE2-CG2 4.1Å; Y501-T589 WeakPolarHBondContact CE2-OG1 3.26Å; Y501-T589 PolarHBondContact OH-OG1 2.84Å
502Y93Very high86.6Confident1 Ų116.4 Ų16.40%0.00410%0.103CC..EExtended strand (participates in β ladder)trans-132.7131.5175.3175.8-95.8000111I416 I418 H505 T506 W512 V543 L544 D545I416-Y502 HydrophobicContact CB-CD2 4.22Å; I416-Y502 HydrophobicContact CG2-CD2 4.18Å; I416-Y502 WeakPolarHBondContact O-CA 3.38Å; I418-Y502 HydrophobicContact CD1-CE2 4.02Å; I418-Y502 HydrophobicContact CG1-CE2 4.49Å; Y502-H505 PolarHBondContact OH-O 2.93Å; Y502-T506 HydrophobicContact CE1-CG2 3.95Å; Y502-W512 AromaticContact CD1-CD1 3.86Å; Y502-W512 AromaticContact CD1-CD2 3.88Å; Y502-W512 HydrophobicContact CD1-CD2 3.88Å; Y502-W512 AromaticContact CD1-CE2 3.5Å; Y502-W512 HydrophobicContact CD1-CG 4.11Å; Y502-W512 AromaticContact CD1-CZ2 3.95Å; Y502-W512 HydrophobicContact CD1-CZ2 3.95Å; Y502-W512 AromaticContact CD1-NE1 3.45Å; Y502-W512 AromaticContact CD2-CD2 3.66Å; Y502-W512 HydrophobicContact CD2-CD2 3.66Å; Y502-W512 AromaticContact CD2-CE2 3.84Å; Y502-W512 AromaticContact CD2-CE3 3.54Å; Y502-W512 HydrophobicContact CD2-CE3 3.54Å; Y502-W512 HydrophobicContact CD2-CG 4.37Å; Y502-W512 AromaticContact CD2-CH2 3.87Å; Y502-W512 HydrophobicContact CD2-CH2 3.87Å; Y502-W512 AromaticContact CD2-CZ2 3.97Å; Y502-W512 HydrophobicContact CD2-CZ2 3.97Å; Y502-W512 AromaticContact CD2-CZ3 3.65Å; Y502-W512 HydrophobicContact CD2-CZ3 3.65Å; Y502-W512 HydrophobicContact CE1-CB 4.32Å; Y502-W512 AromaticContact CE1-CD1 3.59Å; Y502-W512 AromaticContact CE1-CD2 3.92Å; Y502-W512 HydrophobicContact CE1-CD2 3.92Å; Y502-W512 AromaticContact CE1-CE2 3.96Å; Y502-W512 AromaticContact CE1-CG 3.71Å; Y502-W512 HydrophobicContact CE1-CG 3.71Å; Y502-W512 AromaticContact CE1-NE1 3.71Å; Y502-W512 HydrophobicContact CE2-CB 4.31Å; Y502-W512 AromaticContact CE2-CD2 3.69Å; Y502-W512 HydrophobicContact CE2-CD2 3.69Å; Y502-W512 AromaticContact CE2-CE3 3.67Å; Y502-W512 HydrophobicContact CE2-CE3 3.67Å; Y502-W512 AromaticContact CE2-CG 4Å; Y502-W512 HydrophobicContact CE2-CG 4Å; Y502-W512 HydrophobicContact CE2-CZ3 4.24Å; Y502-W512 AromaticContact CG-CD2 3.75Å; Y502-W512 HydrophobicContact CG-CD2 3.75Å; Y502-W512 AromaticContact CG-CE2 3.43Å; Y502-W512 VanDerWaalsContact CG-CE2 3.43Å; Y502-W512 HydrophobicContact CG-CE3 4.02Å; Y502-W512 HydrophobicContact CG-CG 4.42Å; Y502-W512 AromaticContact CG-CH2 3.78Å; Y502-W512 HydrophobicContact CG-CH2 3.78Å; Y502-W512 AromaticContact CG-CZ2 3.47Å; Y502-W512 HydrophobicContact CG-CZ2 3.47Å; Y502-W512 VanDerWaalsContact CG-CZ2 3.47Å; Y502-W512 HydrophobicContact CG-CZ3 4.05Å; Y502-W512 AromaticContact CG-NE1 3.91Å; Y502-W512 AromaticContact CZ-CD2 3.81Å; Y502-W512 AromaticContact CZ-CG 3.64Å; Y502-V543 PolarHBondContact N-O 3.33Å; Y502-L544 HydrophobicContact CD1-CD2 4.24Å; Y502-L544 WeakPolarHBondContact O-CA 3.4Å; Y502-D545 PolarHBondContact O-N 2.89Å
503S90.3Very high87.3Confident2 Ų216.8 Ų16.81%0.01411%0.105CC..EExtended strand (participates in β ladder)trans-130.1123167.5178.40000108.7I416 V417 I418 M447 Y501 D545I416-S503 PolarHBondContact O-N 3Å; V417-S503 WeakPolarHBondContact CA-O 3.44Å; I418-S503 PolarHBondContact N-O 3.39Å; M447-S503 PolarHBondContact SD-OG 3Å; Y501-S503 WeakPolarHBondContact OH-CB 3.35Å; S503-D545 WeakPolarHBondContact CA-O 3.33Å; S503-D545 PolarHBondContact OG-O 2.99Å
504G85.1Confident87.5Confident0 Ų017 Ų170%011%0.105CC..SBendtrans168.2-173-179.600000114.2I418 T420I418-G504 WeakPolarHBondContact O-CA 3.42Å; T420-G504 VanDerWaalsContact CG2-C 3.43Å
505H81.4Confident87.1Confident33 Ų3317.4 Ų17.415%0.15311%0.114CC..  trans-76.1134.9-172.5-169.973000110.6T420 Y502 A513T420-H505 HydrophobicContact CG2-CB 4.01Å; Y502-H505 PolarHBondContact OH-O 2.93Å; H505-A513 HydrophobicContact CB-CB 4.36Å; H505-A513 PolarHBondContact O-N 3.14Å
506T84.1Confident86.3Confident4 Ų421.2 Ų21.23%0.02515%0.154CC..BIsolated β-bridgetrans-134.4135.6-176.852.60000110.8Y502 E511 N548Y502-T506 HydrophobicContact CE1-CG2 3.95Å; T506-E511 CarbonylContact C-O 3.54Å; T506-E511 WeakPolarHBondContact CA-O 3.48Å; T506-N548 PolarHBondContact O-ND2 3.19Å; T506-N548 PolarHBondContact OG1-N 3Å
507H83.9Confident85.5Confident58 Ų5824 Ų2427%0.26919%0.185SC..  trans-65.5167.5173.5-64.6-70.5000111.4T509 G510 E511 N548H507-T509 PolarHBondContact O-N 2.84Å; H507-G510 WeakPolarHBondContact O-CA 3.37Å; H507-G510 PolarHBondContact O-N 2.93Å; H507-E511 PolarHBondContact N-O 3.47Å; H507-N548 VanDerWaalsContact O-CB 3.27Å; H507-N548 WeakPolarHBondContact O-CB 3.25Å; H507-N548 PolarHBondContact O-ND2 3.35Å
508G78.8Confident85Confident62 Ų6227.9 Ų27.964%0.63921%0.206SC*.THydrogen-bonded Turntrans-58.9-21179.900000114.6G510G508-G510 VanDerWaalsContact C-N 3.31Å
509T80.9Confident84.6Confident84 Ų8430 Ų3052%0.51522%0.219SC..THydrogen-bonded Turntrans-80.8-7.7173.152.10000113.5H507 E511 P551H507-T509 PolarHBondContact O-N 2.84Å; T509-E511 WeakPolarHBondContact OG1-CG 3.41Å; T509-P551 VanDerWaalsContact O-CB 3.25Å; T509-P551 WeakPolarHBondContact O-CB 3.46Å
510G82.7Confident84.3Confident2 Ų230 Ų302%0.02122%0.219CC..  trans86.10.4-176.200000114.8H507 G508 N548 W552H507-G510 WeakPolarHBondContact O-CA 3.37Å; H507-G510 PolarHBondContact O-N 2.93Å; G508-G510 VanDerWaalsContact C-N 3.31Å; G510-N548 WeakPolarHBondContact CA-O 3.49Å; G510-W552 VanDerWaalsContact C-NE1 3.29Å; G510-W552 WeakPolarHBondContact O-CZ2 3.15Å; G510-W552 PolarHBondContact O-NE1 3.15Å
511E88.3Confident84.1Confident34 Ų3436.2 Ų36.216%0.15924%0.242CC..PPolyproline II helixtrans-62.8139.8176.1-63.5174.8170.300111.2T506 H507 T509 L520 R521T506-E511 CarbonylContact C-O 3.54Å; T506-E511 WeakPolarHBondContact CA-O 3.48Å; H507-E511 PolarHBondContact N-O 3.47Å; T509-E511 WeakPolarHBondContact OG1-CG 3.41Å; E511-L520 WeakPolarHBondContact CA-O 3.33Å; E511-R521 HydrophobicContact CG-CG 4.02Å; E511-R521 WeakPolarHBondContact OE1-CD 3.5Å; E511-R521 WeakPolarHBondContact OE1-CG 3.14Å; E511-R521 IonicContact OE1-CZ 3.7Å; E511-R521 IonicContact OE1-NE 2.96Å; E511-R521 PolarHBondContact OE1-NE 3.16Å; E511-R521 IonicContact OE1-NH2 2.65Å
512W88.9Confident83.9Confident1 Ų136.7 Ų36.70%0.00425%0.245CC..EExtended strand (participates in β ladder)trans-76.4128178.3-58.2-4.7000109.6I416 L477 L500 Y502 T519 L520 L544 W552I416-W512 HydrophobicContact CD1-CZ3 4.23Å; L477-W512 HydrophobicContact CD2-CE3 4.3Å; L500-W512 HydrophobicContact CD2-CH2 3.79Å; L500-W512 HydrophobicContact CG-CH2 4.18Å; Y502-W512 AromaticContact CD1-CD1 3.86Å; Y502-W512 AromaticContact CD1-CD2 3.88Å; Y502-W512 HydrophobicContact CD1-CD2 3.88Å; Y502-W512 AromaticContact CD1-CE2 3.5Å; Y502-W512 HydrophobicContact CD1-CG 4.11Å; Y502-W512 AromaticContact CD1-CZ2 3.95Å; Y502-W512 HydrophobicContact CD1-CZ2 3.95Å; Y502-W512 AromaticContact CD1-NE1 3.45Å; Y502-W512 AromaticContact CD2-CD2 3.66Å; Y502-W512 HydrophobicContact CD2-CD2 3.66Å; Y502-W512 AromaticContact CD2-CE2 3.84Å; Y502-W512 AromaticContact CD2-CE3 3.54Å; Y502-W512 HydrophobicContact CD2-CE3 3.54Å; Y502-W512 HydrophobicContact CD2-CG 4.37Å; Y502-W512 AromaticContact CD2-CH2 3.87Å; Y502-W512 HydrophobicContact CD2-CH2 3.87Å; Y502-W512 AromaticContact CD2-CZ2 3.97Å; Y502-W512 HydrophobicContact CD2-CZ2 3.97Å; Y502-W512 AromaticContact CD2-CZ3 3.65Å; Y502-W512 HydrophobicContact CD2-CZ3 3.65Å; Y502-W512 HydrophobicContact CE1-CB 4.32Å; Y502-W512 AromaticContact CE1-CD1 3.59Å; Y502-W512 AromaticContact CE1-CD2 3.92Å; Y502-W512 HydrophobicContact CE1-CD2 3.92Å; Y502-W512 AromaticContact CE1-CE2 3.96Å; Y502-W512 AromaticContact CE1-CG 3.71Å; Y502-W512 HydrophobicContact CE1-CG 3.71Å; Y502-W512 AromaticContact CE1-NE1 3.71Å; Y502-W512 HydrophobicContact CE2-CB 4.31Å; Y502-W512 AromaticContact CE2-CD2 3.69Å; Y502-W512 HydrophobicContact CE2-CD2 3.69Å; Y502-W512 AromaticContact CE2-CE3 3.67Å; Y502-W512 HydrophobicContact CE2-CE3 3.67Å; Y502-W512 AromaticContact CE2-CG 4Å; Y502-W512 HydrophobicContact CE2-CG 4Å; Y502-W512 HydrophobicContact CE2-CZ3 4.24Å; Y502-W512 AromaticContact CG-CD2 3.75Å; Y502-W512 HydrophobicContact CG-CD2 3.75Å; Y502-W512 AromaticContact CG-CE2 3.43Å; Y502-W512 VanDerWaalsContact CG-CE2 3.43Å; Y502-W512 HydrophobicContact CG-CE3 4.02Å; Y502-W512 HydrophobicContact CG-CG 4.42Å; Y502-W512 AromaticContact CG-CH2 3.78Å; Y502-W512 HydrophobicContact CG-CH2 3.78Å; Y502-W512 AromaticContact CG-CZ2 3.47Å; Y502-W512 HydrophobicContact CG-CZ2 3.47Å; Y502-W512 VanDerWaalsContact CG-CZ2 3.47Å; Y502-W512 HydrophobicContact CG-CZ3 4.05Å; Y502-W512 AromaticContact CG-NE1 3.91Å; Y502-W512 AromaticContact CZ-CD2 3.81Å; Y502-W512 AromaticContact CZ-CG 3.64Å; W512-T519 VanDerWaalsContact O-CA 3.31Å; W512-T519 WeakPolarHBondContact O-CA 3.42Å; W512-L520 HydrophobicContact CB-CB 4.12Å; W512-L520 HydrophobicContact CD2-CD2 4.13Å; W512-L520 HydrophobicContact CE3-CB 4.43Å; W512-L520 HydrophobicContact CE3-CD2 3.5Å; W512-L520 VanDerWaalsContact CE3-CD2 3.5Å; W512-L520 HydrophobicContact CZ3-CD2 3.72Å; W512-L520 PolarHBondContact N-O 3.34Å; W512-L520 PolarHBondContact O-N 3.49Å; W512-L544 HydrophobicContact CZ2-CD2 3.85Å; W512-W552 AromaticContact CD1-CH2 3.46Å; W512-W552 VanDerWaalsContact CD1-CH2 3.46Å; W512-W552 AromaticContact CD1-CZ2 3.63Å; W512-W552 AromaticContact CD2-CH2 3.93Å; W512-W552 HydrophobicContact CD2-CH2 3.93Å; W512-W552 AromaticContact CE2-CH2 3.29Å; W512-W552 AromaticContact CE2-CZ3 3.55Å; W512-W552 HydrophobicContact CG-CH2 4.03Å; W512-W552 HydrophobicContact CG-CZ2 4.34Å; W512-W552 AromaticContact CZ2-CH2 3.77Å; W512-W552 HydrophobicContact CZ2-CH2 3.77Å; W512-W552 AromaticContact CZ2-CZ3 3.62Å; W512-W552 HydrophobicContact CZ2-CZ3 3.62Å; W512-W552 AromaticContact NE1-CH2 2.97Å; W512-W552 AromaticContact NE1-CZ2 3.58Å; W512-W552 AromaticContact NE1-CZ3 3.28Å; W512-W552 VanDerWaalsContact NE1-CZ3 3.28Å
513A83.9Confident83.8Confident17 Ų1741.5 Ų41.514%0.1427%0.271CS..EExtended strand (participates in β ladder)trans-79.4128.4173.800000109.9H505H505-A513 HydrophobicContact CB-CB 4.36Å; H505-A513 PolarHBondContact O-N 3.14Å
514L83.2Confident83.8Confident15 Ų1543.1 Ų43.18%0.07928%0.28CS..  trans-114.7163.7-179.2-56.8179.7000111.3L472 F474 L477 G516 G517 D518 L520L472-L514 WeakPolarHBondContact O-CB 3.07Å; F474-L514 HydrophobicContact CB-CD1 4.07Å; F474-L514 HydrophobicContact CD2-CD1 3.77Å; F474-L514 HydrophobicContact CG-CD1 4.4Å; L477-L514 HydrophobicContact CD2-CD1 3.99Å; L477-L514 HydrophobicContact CD2-CD2 3.53Å; L477-L514 HydrophobicContact CD2-CG 4.43Å; L514-G516 PolarHBondContact O-N 2.94Å; L514-G517 PolarHBondContact O-N 3.33Å; L514-D518 HydrophobicContact CB-CB 4.19Å; L514-D518 VanDerWaalsContact CB-O 3.31Å; L514-D518 WeakPolarHBondContact CB-O 3.47Å; L514-D518 HydrophobicContact CD1-CB 4.41Å; L514-D518 PolarHBondContact N-O 2.99Å; L514-L520 HydrophobicContact CD1-CB 4.29Å
515A76.5Confident84.2Confident36 Ų3643.1 Ų43.130%0.29828%0.28SS..BIsolated β-bridgetrans-65135175.300000110L472L472-A515 PolarHBondContact O-N 3.4Å
516G70.4Confident84.6Confident81 Ų8142 Ų4284%0.83528%0.276SS*.THydrogen-bonded Turntrans94.34.2-178.600000115.2L514 D518L514-G516 PolarHBondContact O-N 2.94Å; G516-D518 VanDerWaalsContact C-N 3.29Å
517G72.1Confident85Confident69 Ų6947.7 Ų47.771%0.71130%0.302SS*.SBendtrans84.33.1-179.500000114.1L514L514-G517 PolarHBondContact O-N 3.33Å
518D80.9Confident85.4Confident81 Ų8145.8 Ų45.843%0.43329%0.292SS..  trans-71.9155.9172.6-68.3-34.1000111.3F474 L514 G516F474-D518 HydrophobicContact CB-CB 4.02Å; L514-D518 HydrophobicContact CB-CB 4.19Å; L514-D518 VanDerWaalsContact CB-O 3.31Å; L514-D518 WeakPolarHBondContact CB-O 3.47Å; L514-D518 HydrophobicContact CD1-CB 4.41Å; L514-D518 PolarHBondContact N-O 2.99Å; G516-D518 VanDerWaalsContact C-N 3.29Å
519T86Confident86Confident46 Ų4643 Ų4328%0.28226%0.263SS..EExtended strand (participates in β ladder)trans-130.6142.3179.3520000111.2W512W512-T519 VanDerWaalsContact O-CA 3.31Å; W512-T519 WeakPolarHBondContact O-CA 3.42Å
520L88.9Confident86.4Confident1 Ų145.2 Ų45.21%0.00526%0.261CS..EExtended strand (participates in β ladder)trans-100.3116.3168.8-173.667.9000110.3F474 L477 L481 E511 W512 L514 T524 W528F474-L520 HydrophobicContact CE2-CD1 4.26Å; L477-L520 HydrophobicContact CD2-CD2 4.05Å; L481-L520 HydrophobicContact CD1-CD2 4.2Å; E511-L520 WeakPolarHBondContact CA-O 3.33Å; W512-L520 HydrophobicContact CB-CB 4.12Å; W512-L520 HydrophobicContact CD2-CD2 4.13Å; W512-L520 HydrophobicContact CE3-CB 4.43Å; W512-L520 HydrophobicContact CE3-CD2 3.5Å; W512-L520 VanDerWaalsContact CE3-CD2 3.5Å; W512-L520 HydrophobicContact CZ3-CD2 3.72Å; W512-L520 PolarHBondContact N-O 3.34Å; W512-L520 PolarHBondContact O-N 3.49Å; L514-L520 HydrophobicContact CD1-CB 4.29Å; L520-T524 HydrophobicContact CD1-CG2 4.18Å; L520-W528 HydrophobicContact CD1-CH2 3.58Å; L520-W528 HydrophobicContact CD1-CZ2 4.46Å; L520-W528 HydrophobicContact CD1-CZ3 3.68Å
521R92.1Very high86.7Confident132 Ų13250.4 Ų50.450%0.49829%0.285SS..  trans-85.4151.1172-59.8-168.4167.3160.16.3111.3E511 D523 T524 L525E511-R521 HydrophobicContact CG-CG 4.02Å; E511-R521 WeakPolarHBondContact OE1-CD 3.5Å; E511-R521 WeakPolarHBondContact OE1-CG 3.14Å; E511-R521 IonicContact OE1-CZ 3.7Å; E511-R521 IonicContact OE1-NE 2.96Å; E511-R521 PolarHBondContact OE1-NE 3.16Å; E511-R521 IonicContact OE1-NH2 2.65Å; R521-D523 VanDerWaalsContact C-N 3.28Å; R521-D523 PolarHBondContact O-N 2.88Å; R521-T524 PolarHBondContact O-N 3.17Å; R521-L525 PolarHBondContact O-N 2.95Å
522L90.3Very high86.6Confident11 Ų1150.7 Ų50.76%0.05829%0.286CS..Hα-helixtrans-57.1-44.8171.4179.861000110.6T524 L525 L526 I542 W552 E555 V556L522-T524 VanDerWaalsContact C-N 3.32Å; L522-T524 PolarHBondContact O-N 3.46Å; L522-L525 WeakPolarHBondContact O-CB 3.44Å; L522-L525 PolarHBondContact O-N 2.88Å; L522-L525 VanDerWaalsContact O-N 3.12Å; L522-L526 HydrophobicContact CD1-CD1 4.24Å; L522-L526 HydrophobicContact CD1-CD2 4.35Å; L522-L526 HydrophobicContact CD1-CG 4.08Å; L522-L526 HydrophobicContact CD2-CD1 4.4Å; L522-L526 HydrophobicContact CG-CD1 3.83Å; L522-L526 HydrophobicContact CG-CG 4.12Å; L522-L526 WeakPolarHBondContact O-CG 3.4Å; L522-L526 PolarHBondContact O-N 3.4Å; L522-I542 HydrophobicContact CD1-CD1 4.18Å; L522-W552 HydrophobicContact CB-CD2 3.99Å; L522-W552 HydrophobicContact CB-CE3 4.47Å; L522-W552 HydrophobicContact CB-CG 4.27Å; L522-W552 HydrophobicContact CB-CZ2 4.17Å; L522-W552 HydrophobicContact CD1-CD2 4.16Å; L522-W552 HydrophobicContact CD1-CE3 3.89Å; L522-W552 HydrophobicContact CD1-CZ3 4.22Å; L522-W552 HydrophobicContact CD2-CB 4.24Å; L522-W552 HydrophobicContact CD2-CD2 4.47Å; L522-W552 HydrophobicContact CD2-CG 4.17Å; L522-W552 HydrophobicContact CG-CD2 4.42Å; L522-E555 HydrophobicContact CD2-CB 3.92Å; L522-V556 HydrophobicContact CD2-CG2 3.91Å
523D90.6Very high86.3Confident102 Ų10250.8 Ų50.855%0.54529%0.287SS..Hα-helixtrans-58.1-42.1-178.8-64-38.1000112.6R521 L525 L526 E527R521-D523 VanDerWaalsContact C-N 3.28Å; R521-D523 PolarHBondContact O-N 2.88Å; D523-L525 PolarHBondContact O-N 3.01Å; D523-L526 WeakPolarHBondContact O-CB 3.43Å; D523-L526 PolarHBondContact O-N 3.22Å; D523-E527 WeakPolarHBondContact O-CG 3.4Å; D523-E527 PolarHBondContact O-N 3.07Å
524T91.4Very high85.9Confident36 Ų3652.6 Ų52.622%0.22131%0.307CS..Hα-helixtrans-61.9-43.7176.5-50.90000111.7L520 R521 L522 L526 E527 W528L520-T524 HydrophobicContact CD1-CG2 4.18Å; R521-T524 PolarHBondContact O-N 3.17Å; L522-T524 VanDerWaalsContact C-N 3.32Å; L522-T524 PolarHBondContact O-N 3.46Å; T524-L526 VanDerWaalsContact C-N 3.31Å; T524-L526 PolarHBondContact O-N 3.25Å; T524-E527 PolarHBondContact O-N 3.47Å; T524-W528 HydrophobicContact CG2-CD2 4.4Å; T524-W528 HydrophobicContact CG2-CH2 4.08Å; T524-W528 HydrophobicContact CG2-CZ2 3.47Å; T524-W528 VanDerWaalsContact CG2-CZ2 3.47Å; T524-W528 VanDerWaalsContact O-CG 3.31Å; T524-W528 PolarHBondContact O-N 3.44Å; T524-W528 VanDerWaalsContact O-N 3.08Å
525L92.3Very high85.5Confident0 Ų056.9 Ų56.90%034%0.338CS..Hα-helixtrans-63.9-38.7175.3178.964.2000111.7L481 L500 R521 L522 D523 W528 W529 I542L481-L525 HydrophobicContact CD1-CD1 4.23Å; L500-L525 HydrophobicContact CD2-CD1 4.28Å; L500-L525 HydrophobicContact CD2-CD2 3.85Å; R521-L525 PolarHBondContact O-N 2.95Å; L522-L525 WeakPolarHBondContact O-CB 3.44Å; L522-L525 PolarHBondContact O-N 2.88Å; L522-L525 VanDerWaalsContact O-N 3.12Å; D523-L525 PolarHBondContact O-N 3.01Å; L525-W528 HydrophobicContact CD1-CE3 4.2Å; L525-W528 PolarHBondContact O-N 3.37Å; L525-W529 WeakPolarHBondContact O-CB 3.25Å; L525-W529 PolarHBondContact O-N 3.07Å; L525-I542 HydrophobicContact CD2-CD1 3.71Å
526L91.3Very high85.5Confident11 Ų1158.5 Ų58.56%0.05834%0.339CS..Hα-helixtrans-70.1-32.9178.5-66.6179000113.1L522 D523 T524 W529 R530 I559 Q562 I564L522-L526 HydrophobicContact CD1-CD1 4.24Å; L522-L526 HydrophobicContact CD1-CD2 4.35Å; L522-L526 HydrophobicContact CD1-CG 4.08Å; L522-L526 HydrophobicContact CD2-CD1 4.4Å; L522-L526 HydrophobicContact CG-CD1 3.83Å; L522-L526 HydrophobicContact CG-CG 4.12Å; L522-L526 WeakPolarHBondContact O-CG 3.4Å; L522-L526 PolarHBondContact O-N 3.4Å; D523-L526 WeakPolarHBondContact O-CB 3.43Å; D523-L526 PolarHBondContact O-N 3.22Å; T524-L526 VanDerWaalsContact C-N 3.31Å; T524-L526 PolarHBondContact O-N 3.25Å; L526-W529 PolarHBondContact O-N 3.29Å; L526-R530 WeakPolarHBondContact O-CB 3.29Å; L526-R530 PolarHBondContact O-N 2.94Å; L526-I559 HydrophobicContact CD1-CD1 3.41Å; L526-I559 VanDerWaalsContact CD1-CD1 3.41Å; L526-I559 HydrophobicContact CD1-CG1 4.29Å; L526-I559 HydrophobicContact CD2-CD1 4.2Å; L526-I559 HydrophobicContact CG-CD1 4.45Å; L526-Q562 PolarHBondContact O-NE2 3.39Å; L526-I564 HydrophobicContact CD2-CD1 3.27Å; L526-I564 HydrophobicContact CD2-CG1 4.21Å
527E91.4Very high86Confident122 Ų12256.1 Ų56.157%0.5731%0.309SS*.Hα-helixtrans-64-47.9170.5-76.8175.8179.700110.7D523 T524 W529 R530 E531D523-E527 WeakPolarHBondContact O-CG 3.4Å; D523-E527 PolarHBondContact O-N 3.07Å; T524-E527 PolarHBondContact O-N 3.47Å; E527-W529 VanDerWaalsContact C-N 3.29Å; E527-W529 PolarHBondContact O-N 3.27Å; E527-R530 WeakPolarHBondContact O-CB 3.21Å; E527-R530 PolarHBondContact O-N 3.1Å; E527-R530 VanDerWaalsContact O-N 3.09Å; E527-E531 WeakPolarHBondContact O-CB 3.47Å; E527-E531 PolarHBondContact O-N 3.33Å
528W92.1Very high86.7Confident18 Ų1853.1 Ų53.17%0.06828%0.277CS..Hα-helixtrans-60.6-40.9174.7-59.8-17.8000111.7F474 H478 L481 L485 L520 T524 L525 R530 E531 K532F474-W528 HydrophobicContact CE1-CZ2 4.39Å; F474-W528 HydrophobicContact CE2-CH2 4.09Å; F474-W528 HydrophobicContact CE2-CZ2 4.29Å; F474-W528 AromaticContact CZ-CH2 3.92Å; F474-W528 HydrophobicContact CZ-CH2 3.92Å; F474-W528 AromaticContact CZ-CZ2 3.7Å; F474-W528 HydrophobicContact CZ-CZ2 3.7Å; H478-W528 HydrophobicContact CB-CH2 3.94Å; H478-W528 HydrophobicContact CB-CZ2 4.19Å; H478-W528 AromaticContact CD2-CD2 4Å; H478-W528 AromaticContact CD2-CE2 3.38Å; H478-W528 AromaticContact CD2-CH2 3.69Å; H478-W528 AromaticContact CD2-CZ2 3.21Å; H478-W528 WeakPolarHBondContact CD2-CZ2 3.26Å; H478-W528 AromaticContact CD2-NE1 3.84Å; H478-W528 AromaticContact CG-CZ2 3.93Å; H478-W528 AromaticContact NE2-CE2 3.92Å; H478-W528 AromaticContact NE2-NE1 3.88Å; L481-W528 HydrophobicContact CB-CE3 4.45Å; L481-W528 HydrophobicContact CB-CZ3 4.44Å; L481-W528 HydrophobicContact CD1-CE3 4.34Å; L481-W528 HydrophobicContact CD1-CZ3 3.82Å; L485-W528 HydrophobicContact CD1-CB 4.05Å; L520-W528 HydrophobicContact CD1-CH2 3.58Å; L520-W528 HydrophobicContact CD1-CZ2 4.46Å; L520-W528 HydrophobicContact CD1-CZ3 3.68Å; T524-W528 HydrophobicContact CG2-CD2 4.4Å; T524-W528 HydrophobicContact CG2-CH2 4.08Å; T524-W528 HydrophobicContact CG2-CZ2 3.47Å; T524-W528 VanDerWaalsContact CG2-CZ2 3.47Å; T524-W528 VanDerWaalsContact O-CG 3.31Å; T524-W528 PolarHBondContact O-N 3.44Å; T524-W528 VanDerWaalsContact O-N 3.08Å; L525-W528 HydrophobicContact CD1-CE3 4.2Å; L525-W528 PolarHBondContact O-N 3.37Å; W528-R530 VanDerWaalsContact C-N 3.35Å; W528-R530 PolarHBondContact O-N 3.43Å; W528-E531 PolarHBondContact O-N 2.79Å; W528-K532 WeakPolarHBondContact O-CG 3.47Å; W528-K532 PolarHBondContact O-N 2.9Å; W528-K532 VanDerWaalsContact O-N 3.1Å
529W91.2Very high87.3Confident5 Ų549.8 Ų49.82%0.01926%0.258CS..Hα-helixtrans-61.3-42.6173.5179.6-107.8000112.1L485 Y498 L525 L526 E527 K532 N533 L540L485-W529 HydrophobicContact CD1-CE3 4.45Å; L485-W529 HydrophobicContact CD2-CE3 3.53Å; L485-W529 HydrophobicContact CD2-CZ3 3.76Å; L485-W529 HydrophobicContact CG-CE3 4.45Å; Y498-W529 AromaticContact CD2-CH2 3.56Å; Y498-W529 HydrophobicContact CD2-CH2 3.56Å; Y498-W529 AromaticContact CD2-CZ3 3.77Å; Y498-W529 HydrophobicContact CD2-CZ3 3.77Å; Y498-W529 HydrophobicContact CE2-CH2 4.14Å; Y498-W529 HydrophobicContact CE2-CZ3 4.35Å; Y498-W529 HydrophobicContact CG-CH2 4.1Å; Y498-W529 AromaticContact CG-CZ3 3.88Å; Y498-W529 HydrophobicContact CG-CZ3 3.88Å; L525-W529 WeakPolarHBondContact O-CB 3.25Å; L525-W529 PolarHBondContact O-N 3.07Å; L526-W529 PolarHBondContact O-N 3.29Å; E527-W529 VanDerWaalsContact C-N 3.29Å; E527-W529 PolarHBondContact O-N 3.27Å; W529-K532 PolarHBondContact O-N 3.46Å; W529-N533 HydrophobicContact CD2-CB 4.01Å; W529-N533 HydrophobicContact CE3-CB 4.14Å; W529-N533 VanDerWaalsContact CE3-ND2 3.34Å; W529-N533 HydrophobicContact CH2-CB 3.9Å; W529-N533 HydrophobicContact CZ2-CB 3.75Å; W529-N533 HydrophobicContact CZ3-CB 4.11Å; W529-N533 WeakPolarHBondContact CZ3-ND2 3.18Å; W529-N533 WeakPolarHBondContact O-CA 3.28Å; W529-N533 WeakPolarHBondContact O-CB 3.39Å; W529-N533 PolarHBondContact O-N 3.11Å; W529-L540 HydrophobicContact CB-CD2 4.43Å; W529-L540 HydrophobicContact CD2-CB 4.04Å; W529-L540 HydrophobicContact CD2-CD2 4.12Å; W529-L540 HydrophobicContact CE3-CB 4.15Å; W529-L540 HydrophobicContact CE3-CD1 4.42Å; W529-L540 HydrophobicContact CE3-CD2 4.16Å; W529-L540 HydrophobicContact CE3-CG 4.48Å; W529-L540 HydrophobicContact CG-CD2 4.22Å; W529-L540 HydrophobicContact CH2-CB 4.13Å; W529-L540 HydrophobicContact CZ2-CB 4.01Å; W529-L540 HydrophobicContact CZ3-CB 4.18Å; W529-L540 HydrophobicContact CZ3-CD1 4.38Å
530R89.8Confident87.6Confident129 Ų12947.6 Ų47.649%0.48725%0.245SC..Hα-helixtrans-64.5-44.7177.4-163.2-178.7-61.9-118.11.3111.9L526 E527 W528 K532 G534L526-R530 WeakPolarHBondContact O-CB 3.29Å; L526-R530 PolarHBondContact O-N 2.94Å; E527-R530 WeakPolarHBondContact O-CB 3.21Å; E527-R530 PolarHBondContact O-N 3.1Å; E527-R530 VanDerWaalsContact O-N 3.09Å; W528-R530 VanDerWaalsContact C-N 3.35Å; W528-R530 PolarHBondContact O-N 3.43Å; R530-K532 VanDerWaalsContact C-N 3.3Å; R530-K532 PolarHBondContact O-N 2.9Å; R530-G534 VanDerWaalsContact O-CA 3.25Å; R530-G534 WeakPolarHBondContact O-CA 3.46Å; R530-G534 PolarHBondContact O-N 2.89Å
531E88.4Confident87.9Confident112 Ų11247.6 Ų47.652%0.52324%0.244SC..Hα-helixtrans-58-45.1179.7-168-159.1138.900110.4K482 E527 W528K482-E531 IonicContact NZ-OE2 2.91Å; K482-E531 PolarHBondContact NZ-OE2 3.36Å; E527-E531 WeakPolarHBondContact O-CB 3.47Å; E527-E531 PolarHBondContact O-N 3.33Å; W528-E531 PolarHBondContact O-N 2.79Å
532K86.2Confident88.1Confident39 Ų3941.3 Ų41.317%0.1722%0.221CC..Hα-helixtrans-90.5-32.4-173.3-57.7-50.1-176.1178.80114.5L485 E486 W528 W529 R530L485-K532 HydrophobicContact CB-CB 4.37Å; L485-K532 HydrophobicContact CB-CG 4.45Å; E486-K532 HydrophobicContact CG-CB 4.47Å; E486-K532 HydrophobicContact CG-CD 3.87Å; E486-K532 HydrophobicContact CG-CG 4.1Å; E486-K532 WeakPolarHBondContact OE1-CD 3.43Å; E486-K532 WeakPolarHBondContact OE1-CE 3.29Å; E486-K532 IonicContact OE1-NZ 3.64Å; E486-K532 PolarHBondContact OE1-NZ 3.41Å; W528-K532 WeakPolarHBondContact O-CG 3.47Å; W528-K532 PolarHBondContact O-N 2.9Å; W528-K532 VanDerWaalsContact O-N 3.1Å; W529-K532 PolarHBondContact O-N 3.46Å; R530-K532 VanDerWaalsContact C-N 3.3Å; R530-K532 PolarHBondContact O-N 2.9Å
533N83.5Confident88.3Confident4 Ų440.9 Ų40.92%0.02122%0.219CC..Hα-helixtrans-122.34.5-171.6-71.6-65000114.4L485 W529 S535 F536L485-N533 PolarHBondContact O-ND2 3.25Å; W529-N533 HydrophobicContact CD2-CB 4.01Å; W529-N533 HydrophobicContact CE3-CB 4.14Å; W529-N533 VanDerWaalsContact CE3-ND2 3.34Å; W529-N533 HydrophobicContact CH2-CB 3.9Å; W529-N533 HydrophobicContact CZ2-CB 3.75Å; W529-N533 HydrophobicContact CZ3-CB 4.11Å; W529-N533 WeakPolarHBondContact CZ3-ND2 3.18Å; W529-N533 WeakPolarHBondContact O-CA 3.28Å; W529-N533 WeakPolarHBondContact O-CB 3.39Å; W529-N533 PolarHBondContact O-N 3.11Å; N533-S535 PolarHBondContact O-N 3Å; N533-F536 PolarHBondContact O-N 3.34Å
534G76.1Confident88.5Confident54 Ų5436 Ų3656%0.55719%0.193SC*.THydrogen-bonded Turntrans-61.4-26.8179.900000114.8R530R530-G534 VanDerWaalsContact O-CA 3.25Å; R530-G534 WeakPolarHBondContact O-CA 3.46Å; R530-G534 PolarHBondContact O-N 2.89Å
535S74.9Confident88.4Confident106 Ų10634.3 Ų34.374%0.74118%0.182SC*.THydrogen-bonded Turntrans-92.2-6.317555.80000114N533N533-S535 PolarHBondContact O-N 3Å
536F76.6Confident88.2Confident70 Ų7034.4 Ų34.431%0.30718%0.183SC..SBendtrans-111.1152.3-175.3-62.9-79.2000111.1R494 N533 S538R494-F536 HydrophobicContact CG-CD1 4Å; R494-F536 HydrophobicContact CG-CD2 4.35Å; R494-F536 HydrophobicContact CG-CE1 4.29Å; R494-F536 HydrophobicContact CG-CG 4.04Å; N533-F536 PolarHBondContact O-N 3.34Å; F536-S538 PolarHBondContact O-N 3.48Å
537C78.9Confident87.7Confident31 Ų3137.8 Ų37.821%0.20920%0.198CC..  trans-90.435.9179.7-161.90000112.3Y625 T626C537-Y625 WeakPolarHBondContact O-CE2 3.35Å; C537-T626 PolarHBondContact SG-O 3.19Å
538S88.3Confident87.4Confident5 Ų534.5 Ų34.54%0.03518%0.184CC..  trans-83.4158.4177-62.90000111H495 F536H495-S538 WeakPolarHBondContact O-CB 3.36Å; H495-S538 PolarHBondContact O-OG 3.48Å; F536-S538 PolarHBondContact O-N 3.48Å
539R92.1Very high87.2Confident12 Ų1233.6 Ų33.65%0.04518%0.181CC..EExtended strand (participates in β ladder)trans-121.8153173.667.2-179.5178.7-178.21.8112D496 T497 Y498 Y563 W622 Y625 T688D496-R539 WeakPolarHBondContact O-CG 3.34Å; D496-R539 PolarHBondContact O-N 3.41Å; T497-R539 HydrophobicContact CG2-CG 4.05Å; T497-R539 PolarHBondContact OG1-NE 3.24Å; T497-R539 PolarHBondContact OG1-NH2 3.35Å; T497-R539 VanDerWaalsContact OG1-NH2 3.07Å; Y498-R539 PolarHBondContact N-O 3.32Å; R539-Y563 VanDerWaalsContact CA-O 3.27Å; R539-Y563 WeakPolarHBondContact CA-O 3.46Å; R539-Y563 VanDerWaalsContact CB-O 3.31Å; R539-Y563 WeakPolarHBondContact CB-O 3.47Å; R539-W622 HydrophobicContact CB-CZ3 4.25Å; R539-Y625 HydrophobicContact CB-CD2 3.95Å; R539-Y625 HydrophobicContact CB-CE2 3.7Å; R539-Y625 HydrophobicContact CG-CD2 4.36Å; R539-Y625 HydrophobicContact CG-CE1 4.4Å; R539-Y625 HydrophobicContact CG-CE2 3.8Å; R539-T688 PolarHBondContact NH1-O 3.49Å; R539-T688 PolarHBondContact NH2-O 3.47Å
540L93.9Very high87Confident0 Ų035.4 Ų35.40%019%0.193CC..EExtended strand (participates in β ladder)trans-116128.8178.5-179.364.7000110.1Y498 L500 W529 I542 Y563 I564 A565Y498-L540 CarbonylContact O-C 3.58Å; Y498-L540 WeakPolarHBondContact O-CA 3.28Å; L500-L540 HydrophobicContact CB-CD1 4.48Å; W529-L540 HydrophobicContact CB-CD2 4.43Å; W529-L540 HydrophobicContact CD2-CB 4.04Å; W529-L540 HydrophobicContact CD2-CD2 4.12Å; W529-L540 HydrophobicContact CE3-CB 4.15Å; W529-L540 HydrophobicContact CE3-CD1 4.42Å; W529-L540 HydrophobicContact CE3-CD2 4.16Å; W529-L540 HydrophobicContact CE3-CG 4.48Å; W529-L540 HydrophobicContact CG-CD2 4.22Å; W529-L540 HydrophobicContact CH2-CB 4.13Å; W529-L540 HydrophobicContact CZ2-CB 4.01Å; W529-L540 HydrophobicContact CZ3-CB 4.18Å; W529-L540 HydrophobicContact CZ3-CD1 4.38Å; L540-I542 HydrophobicContact CD2-CD1 4.13Å; L540-I542 HydrophobicContact CD2-CG1 4.16Å; L540-I542 HydrophobicContact CG-CG1 4.02Å; L540-Y563 PolarHBondContact N-O 2.81Å; L540-I564 HydrophobicContact CB-CG1 4.18Å; L540-I564 VanDerWaalsContact O-CA 3.29Å; L540-I564 WeakPolarHBondContact O-CA 3.42Å; L540-A565 PolarHBondContact O-N 2.87Å
541I95.3Very high87.1Confident0 Ų030.8 Ų30.80%018%0.179CC..EExtended strand (participates in β ladder)trans-116.8121.1173-59.6177.1000107.2T497 Y498 I499 L500 V543 A565 W622 T688 F692 L694T497-I541 HydrophobicContact CG2-CD1 3.75Å; T497-I541 HydrophobicContact CG2-CG1 4.2Å; Y498-I541 PolarHBondContact O-N 2.95Å; I499-I541 CarbonylContact C-O 3.58Å; I499-I541 WeakPolarHBondContact CA-O 3.48Å; I499-I541 HydrophobicContact CG1-CB 4.45Å; L500-I541 PolarHBondContact N-O 2.87Å; I541-V543 HydrophobicContact CG2-CG2 4.25Å; I541-A565 WeakPolarHBondContact CA-O 3.42Å; I541-A565 HydrophobicContact CG1-CB 4.47Å; I541-W622 HydrophobicContact CD1-CH2 4.04Å; I541-W622 HydrophobicContact CG1-CH2 3.83Å; I541-W622 HydrophobicContact CG1-CZ3 4.42Å; I541-T688 HydrophobicContact CD1-CG2 3.97Å; I541-F692 HydrophobicContact CD1-CE2 4.13Å; I541-F692 HydrophobicContact CD1-CZ 3.89Å; I541-L694 HydrophobicContact CG2-CD2 4.11Å
542I95.7Very high87.3Confident0 Ų025.8 Ų25.80%016%0.156CC..EExtended strand (participates in β ladder)trans-106.8125.8177.7-51.9173.6000107.5L500 L522 L525 L540 L544 W552 A565 V566 Q567L500-I542 CarbonylContact O-C 3.46Å; L500-I542 WeakPolarHBondContact O-CA 3.48Å; L522-I542 HydrophobicContact CD1-CD1 4.18Å; L525-I542 HydrophobicContact CD2-CD1 3.71Å; L540-I542 HydrophobicContact CD2-CD1 4.13Å; L540-I542 HydrophobicContact CD2-CG1 4.16Å; L540-I542 HydrophobicContact CG-CG1 4.02Å; I542-L544 HydrophobicContact CG2-CD2 3.63Å; I542-L544 HydrophobicContact CG2-CG 3.98Å; I542-W552 HydrophobicContact CG2-CZ3 4.48Å; I542-A565 PolarHBondContact N-O 3.08Å; I542-V566 HydrophobicContact CB-CG2 4.1Å; I542-V566 HydrophobicContact CD1-CG2 4.23Å; I542-V566 CarbonylContact O-C 3.55Å; I542-V566 VanDerWaalsContact O-CA 3.31Å; I542-V566 WeakPolarHBondContact O-CA 3.42Å; I542-Q567 PolarHBondContact O-N 2.74Å
543V95.2Very high87.5Confident2 Ų224.2 Ų24.21%0.01215%0.149CC..EExtended strand (participates in β ladder)trans-113.2120.4176.3-175.80000107.7L500 Y501 Y502 I541 Q567 F588 W592L500-V543 PolarHBondContact O-N 3.31Å; Y501-V543 WeakPolarHBondContact CA-O 3.46Å; Y501-V543 HydrophobicContact CD2-CB 4.03Å; Y501-V543 HydrophobicContact CD2-CG1 3.88Å; Y501-V543 HydrophobicContact CE2-CG1 4.36Å; Y502-V543 PolarHBondContact N-O 3.33Å; I541-V543 HydrophobicContact CG2-CG2 4.25Å; V543-Q567 WeakPolarHBondContact CA-O 3.28Å; V543-Q567 HydrophobicContact CG1-CB 4.46Å; V543-Q567 HydrophobicContact CG1-CG 4.45Å; V543-Q567 HydrophobicContact CG2-CB 4.34Å; V543-F588 HydrophobicContact CG1-CE1 4.1Å; V543-W592 HydrophobicContact CG1-CZ3 4.42Å; V543-W592 HydrophobicContact CG2-CH2 4.1Å; V543-W592 HydrophobicContact CG2-CZ2 4.36Å
544L93.1Very high87.8Confident1 Ų130.4 Ų30.41%0.00518%0.176CC..EExtended strand (participates in β ladder)trans-116.7119.1-174.7-57.6175.4000109.9Y502 W512 I542 W552 V566 Q567Y502-L544 HydrophobicContact CD1-CD2 4.24Å; Y502-L544 WeakPolarHBondContact O-CA 3.4Å; W512-L544 HydrophobicContact CZ2-CD2 3.85Å; I542-L544 HydrophobicContact CG2-CD2 3.63Å; I542-L544 HydrophobicContact CG2-CG 3.98Å; L544-W552 HydrophobicContact CD1-CB 4.03Å; L544-W552 HydrophobicContact CD1-CD2 4.1Å; L544-W552 HydrophobicContact CD1-CE3 3.65Å; L544-W552 HydrophobicContact CD1-CG 4.31Å; L544-W552 HydrophobicContact CD1-CZ3 4.44Å; L544-W552 HydrophobicContact CD2-CE3 4.17Å; L544-W552 HydrophobicContact CD2-CZ3 4.15Å; L544-W552 HydrophobicContact CG-CE3 4.48Å; L544-V566 HydrophobicContact CD1-CG1 3.77Å; L544-V566 HydrophobicContact CG-CG1 4.31Å; L544-Q567 PolarHBondContact N-O 3.39Å
545D90.2Very high88.5Confident0 Ų031.8 Ų31.80%017%0.168CC..EExtended strand (participates in β ladder)trans-107.381.2163.9-161.6-17.3000107.9Y501 Y502 S503 G586 F588 T589Y501-D545 HydrophobicContact CE2-CB 4.38Å; Y502-D545 PolarHBondContact O-N 2.89Å; S503-D545 WeakPolarHBondContact CA-O 3.33Å; S503-D545 PolarHBondContact OG-O 2.99Å; D545-G586 VanDerWaalsContact CG-N 3.34Å; D545-G586 PolarHBondContact OD1-N 2.89Å; D545-G586 WeakPolarHBondContact OD2-CA 3.37Å; D545-G586 PolarHBondContact OD2-N 3.23Å; D545-F588 HydrophobicContact CB-CD1 4.12Å; D545-T589 WeakPolarHBondContact CB-OG1 3.32Å; D545-T589 VanDerWaalsContact OD2-CB 3.26Å; D545-T589 WeakPolarHBondContact OD2-CB 3.47Å; D545-T589 PolarHBondContact OD2-N 2.94Å; D545-T589 PolarHBondContact OD2-OG1 2.67Å
546S87.3Confident89.2Confident1 Ų126.7 Ų26.71%0.00713%0.133CC..SBendtrans-142.4155.4-177.768.70000111.1N548S546-N548 VanDerWaalsContact C-N 3.28Å; S546-N548 PolarHBondContact O-N 3.38Å
547E81.9Confident89.7Confident83 Ų8328.7 Ų28.739%0.38814%0.138SC..THydrogen-bonded Turntrans-59.7-39-179.8-71.7-169.1-144.600112.3K573 L585E547-K573 IonicContact OE2-NZ 3.98Å; E547-K573 PolarHBondContact OE2-NZ 2.82Å; E547-L585 HydrophobicContact CG-CD2 4.38Å
548N85Confident90.2Very high52 Ų5233.1 Ų33.128%0.27815%0.154SC..THydrogen-bonded Turntrans-113.154.2-175.1-62.5-49.3000112T506 H507 G510 S546 P551T506-N548 PolarHBondContact O-ND2 3.19Å; T506-N548 PolarHBondContact OG1-N 3Å; H507-N548 VanDerWaalsContact O-CB 3.27Å; H507-N548 WeakPolarHBondContact O-CB 3.25Å; H507-N548 PolarHBondContact O-ND2 3.35Å; G510-N548 WeakPolarHBondContact CA-O 3.49Å; S546-N548 VanDerWaalsContact C-N 3.28Å; S546-N548 PolarHBondContact O-N 3.38Å; N548-P551 VanDerWaalsContact O-CD 3.29Å; N548-P551 WeakPolarHBondContact O-CD 3.32Å
549S86.9Confident90.1Very high0 Ų034.1 Ų34.10%016%0.158CC..  trans-81.2-21.6179.876.20000114.4P551 W552 V553 G568 A569S549-P551 VanDerWaalsContact C-CD 3.43Å; S549-W552 PolarHBondContact O-N 3.49Å; S549-V553 PolarHBondContact O-N 3.31Å; S549-G568 WeakPolarHBondContact OG-CA 3.4Å; S549-A569 PolarHBondContact OG-N 3.15Å; S549-A569 PolarHBondContact OG-O 3.31Å
550T88.4Confident89.5Confident43 Ų4337.1 Ų37.126%0.26418%0.175SC..Hα-helixtrans-63.9-32.7-173.771.80000115.7V553 K554 E570 V615T550-V553 PolarHBondContact O-N 3.45Å; T550-K554 WeakPolarHBondContact O-CG 3.26Å; T550-K554 PolarHBondContact O-N 3.08Å; T550-E570 HydrophobicContact CG2-CB 4.38Å; T550-V615 HydrophobicContact CG2-CG2 4.35Å
551P91.1Very high88.8Confident31 Ų3141.4 Ų41.420%0.20120%0.198CC..Hα-helixtrans-61.2-44.6176.4-24.436.6000112.3T509 N548 S549 V553 K554 E555T509-P551 VanDerWaalsContact O-CB 3.25Å; T509-P551 WeakPolarHBondContact O-CB 3.46Å; N548-P551 VanDerWaalsContact O-CD 3.29Å; N548-P551 WeakPolarHBondContact O-CD 3.32Å; S549-P551 VanDerWaalsContact C-CD 3.43Å; P551-V553 VanDerWaalsContact C-N 3.32Å; P551-V553 PolarHBondContact O-N 3.05Å; P551-K554 PolarHBondContact O-N 3.36Å; P551-K554 VanDerWaalsContact O-N 3.11Å; P551-E555 PolarHBondContact O-N 3.23Å
552W92.1Very high88.4Confident7 Ų742 Ų423%0.02720%0.201CC..Hα-helixtrans-64.8-37.2179.1-74.825.5000111.9G510 W512 L522 I542 L544 S549 K554 E555 V556 V566G510-W552 VanDerWaalsContact C-NE1 3.29Å; G510-W552 WeakPolarHBondContact O-CZ2 3.15Å; G510-W552 PolarHBondContact O-NE1 3.15Å; W512-W552 AromaticContact CD1-CH2 3.46Å; W512-W552 VanDerWaalsContact CD1-CH2 3.46Å; W512-W552 AromaticContact CD1-CZ2 3.63Å; W512-W552 AromaticContact CD2-CH2 3.93Å; W512-W552 HydrophobicContact CD2-CH2 3.93Å; W512-W552 AromaticContact CE2-CH2 3.29Å; W512-W552 AromaticContact CE2-CZ3 3.55Å; W512-W552 HydrophobicContact CG-CH2 4.03Å; W512-W552 HydrophobicContact CG-CZ2 4.34Å; W512-W552 AromaticContact CZ2-CH2 3.77Å; W512-W552 HydrophobicContact CZ2-CH2 3.77Å; W512-W552 AromaticContact CZ2-CZ3 3.62Å; W512-W552 HydrophobicContact CZ2-CZ3 3.62Å; W512-W552 AromaticContact NE1-CH2 2.97Å; W512-W552 AromaticContact NE1-CZ2 3.58Å; W512-W552 AromaticContact NE1-CZ3 3.28Å; W512-W552 VanDerWaalsContact NE1-CZ3 3.28Å; L522-W552 HydrophobicContact CB-CD2 3.99Å; L522-W552 HydrophobicContact CB-CE3 4.47Å; L522-W552 HydrophobicContact CB-CG 4.27Å; L522-W552 HydrophobicContact CB-CZ2 4.17Å; L522-W552 HydrophobicContact CD1-CD2 4.16Å; L522-W552 HydrophobicContact CD1-CE3 3.89Å; L522-W552 HydrophobicContact CD1-CZ3 4.22Å; L522-W552 HydrophobicContact CD2-CB 4.24Å; L522-W552 HydrophobicContact CD2-CD2 4.47Å; L522-W552 HydrophobicContact CD2-CG 4.17Å; L522-W552 HydrophobicContact CG-CD2 4.42Å; I542-W552 HydrophobicContact CG2-CZ3 4.48Å; L544-W552 HydrophobicContact CD1-CB 4.03Å; L544-W552 HydrophobicContact CD1-CD2 4.1Å; L544-W552 HydrophobicContact CD1-CE3 3.65Å; L544-W552 HydrophobicContact CD1-CG 4.31Å; L544-W552 HydrophobicContact CD1-CZ3 4.44Å; L544-W552 HydrophobicContact CD2-CE3 4.17Å; L544-W552 HydrophobicContact CD2-CZ3 4.15Å; L544-W552 HydrophobicContact CG-CE3 4.48Å; S549-W552 PolarHBondContact O-N 3.49Å; W552-K554 VanDerWaalsContact C-N 3.28Å; W552-K554 PolarHBondContact O-N 3.13Å; W552-E555 PolarHBondContact O-N 3.2Å; W552-V556 WeakPolarHBondContact O-CG2 3.34Å; W552-V556 PolarHBondContact O-N 2.95Å; W552-V556 VanDerWaalsContact O-N 3.07Å; W552-V566 HydrophobicContact CB-CG1 4.34Å
553V90.1Very high88.1Confident6 Ų644.5 Ų44.54%0.03621%0.211CC..Hα-helixtrans-60.8-36.3174.2170.20000112.2S549 T550 P551 V566 V615 Y616S549-V553 PolarHBondContact O-N 3.31Å; T550-V553 PolarHBondContact O-N 3.45Å; P551-V553 VanDerWaalsContact C-N 3.32Å; P551-V553 PolarHBondContact O-N 3.05Å; V553-V566 HydrophobicContact CG2-CB 4.29Å; V553-V566 HydrophobicContact CG2-CG1 3.68Å; V553-V615 HydrophobicContact CG2-CG2 4.2Å; V553-Y616 VanDerWaalsContact CG1-C 3.46Å
554K90.2Very high88Confident135 Ų13544.4 Ų44.459%0.58721%0.21SC*.Hα-helixtrans-75.9-44.6177.5-69.8173.9-176.9171.90111.7T550 P551 W552 V556 R557T550-K554 WeakPolarHBondContact O-CG 3.26Å; T550-K554 PolarHBondContact O-N 3.08Å; P551-K554 PolarHBondContact O-N 3.36Å; P551-K554 VanDerWaalsContact O-N 3.11Å; W552-K554 VanDerWaalsContact C-N 3.28Å; W552-K554 PolarHBondContact O-N 3.13Å; K554-V556 PolarHBondContact O-N 3.17Å; K554-R557 WeakPolarHBondContact O-CB 3.43Å; K554-R557 PolarHBondContact O-N 3.4Å
555E90.4Very high88Confident82 Ų8244.3 Ų44.338%0.38321%0.21SC..Hα-helixtrans-63.9-38.3-178.6-71.9-52.2135.500112.5L522 P551 W552 R557 K558L522-E555 HydrophobicContact CD2-CB 3.92Å; P551-E555 PolarHBondContact O-N 3.23Å; W552-E555 PolarHBondContact O-N 3.2Å; E555-R557 PolarHBondContact O-N 2.69Å; E555-R557 VanDerWaalsContact O-N 3.08Å; E555-K558 WeakPolarHBondContact O-CB 3.39Å; E555-K558 PolarHBondContact O-N 3.28Å; E555-K558 IonicContact OE1-NZ 3.97Å; E555-K558 PolarHBondContact OE1-NZ 3.45Å; E555-K558 WeakPolarHBondContact OE2-CD 3.21Å; E555-K558 IonicContact OE2-NZ 3.38Å; E555-K558 PolarHBondContact OE2-NZ 2.87Å
556V89.8Confident88.2Confident0 Ų044.3 Ų44.30%021%0.21CC..G310 helixtrans-60.2-26.5179.4165.10000113.7L522 W552 K554 K558 I559 I564 V566 S619L522-V556 HydrophobicContact CD2-CG2 3.91Å; W552-V556 WeakPolarHBondContact O-CG2 3.34Å; W552-V556 PolarHBondContact O-N 2.95Å; W552-V556 VanDerWaalsContact O-N 3.07Å; K554-V556 PolarHBondContact O-N 3.17Å; V556-K558 PolarHBondContact O-N 2.92Å; V556-I559 HydrophobicContact CB-CD1 4.21Å; V556-I559 HydrophobicContact CG1-CD1 4.4Å; V556-I559 HydrophobicContact CG2-CD1 3.89Å; V556-I559 WeakPolarHBondContact O-CB 2.83Å; V556-I559 PolarHBondContact O-N 3.37Å; V556-I564 HydrophobicContact CG1-CB 4.39Å; V556-I564 HydrophobicContact CG1-CG2 4.06Å; V556-I564 HydrophobicContact CG2-CG2 4.14Å; V556-V566 HydrophobicContact CB-CG2 4.17Å; V556-V566 HydrophobicContact CG1-CG2 4.48Å; V556-V566 HydrophobicContact CG2-CB 4.37Å; V556-V566 HydrophobicContact CG2-CG2 3.4Å; V556-S619 WeakPolarHBondContact O-CA 3.45Å
557R87.8Confident88.6Confident112 Ų11244.3 Ų44.342%0.42321%0.21SC..G310 helixtrans-68.5-21.2176.8-61.2178.8-176.6-173.3-0.6113.1K554 E555 Y616 K620K554-R557 WeakPolarHBondContact O-CB 3.43Å; K554-R557 PolarHBondContact O-N 3.4Å; E555-R557 PolarHBondContact O-N 2.69Å; E555-R557 VanDerWaalsContact O-N 3.08Å; R557-Y616 PolarHBondContact NH2-O 3.45Å; R557-K620 WeakPolarHBondContact O-CE 3.34Å; R557-K620 WeakPolarHBondContact O-CG 3.35Å
558K88.9Confident89.1Confident124 Ų12440.3 Ų40.354%0.53919%0.191SC..G310 helixtrans-82-17.6178.6-57.9-178.3-165.6157.30112.4E555 V556 N560E555-K558 WeakPolarHBondContact O-CB 3.39Å; E555-K558 PolarHBondContact O-N 3.28Å; E555-K558 IonicContact OE1-NZ 3.97Å; E555-K558 PolarHBondContact OE1-NZ 3.45Å; E555-K558 WeakPolarHBondContact OE2-CD 3.21Å; E555-K558 IonicContact OE2-NZ 3.38Å; E555-K558 PolarHBondContact OE2-NZ 2.87Å; V556-K558 PolarHBondContact O-N 2.92Å; K558-N560 PolarHBondContact O-OD1 3Å
559I86.8Confident89.3Confident25 Ų2537.9 Ų37.913%0.12818%0.178CC..  trans-71.5128.5-176.1-55.9171.3000111L526 V556 Q562 I564 K620L526-I559 HydrophobicContact CD1-CD1 3.41Å; L526-I559 VanDerWaalsContact CD1-CD1 3.41Å; L526-I559 HydrophobicContact CD1-CG1 4.29Å; L526-I559 HydrophobicContact CD2-CD1 4.2Å; L526-I559 HydrophobicContact CG-CD1 4.45Å; V556-I559 HydrophobicContact CB-CD1 4.21Å; V556-I559 HydrophobicContact CG1-CD1 4.4Å; V556-I559 HydrophobicContact CG2-CD1 3.89Å; V556-I559 WeakPolarHBondContact O-CB 2.83Å; V556-I559 PolarHBondContact O-N 3.37Å; I559-Q562 HydrophobicContact CG2-CB 4.23Å; I559-I564 HydrophobicContact CD1-CD1 4.12Å; I559-I564 HydrophobicContact CG2-CD1 4.4Å; I559-K620 PolarHBondContact O-N 3.47Å
560N79Confident89.2Confident75 Ų7542.1 Ų42.140%0.40120%0.198SC..  trans-101.4-36.1-176.1-65.7-30.8000114.4K558 K620 R621K558-N560 PolarHBondContact O-OD1 3Å; N560-K620 WeakPolarHBondContact OD1-CD 3.42Å; N560-K620 VanDerWaalsContact OD1-CE 3.3Å; N560-K620 WeakPolarHBondContact OD1-CE 3.16Å; N560-K620 PolarHBondContact OD1-NZ 2.85Å; N560-R621 WeakPolarHBondContact O-CD 3.37Å; N560-R621 WeakPolarHBondContact O-CG 3.05Å; N560-R621 PolarHBondContact O-NE 3.47Å; N560-R621 VanDerWaalsContact O-NE 3.11Å
561D80.7Confident88.9Confident90 Ų9041.3 Ų41.348%0.48119%0.192SC..SBendtrans-1053.8-160.7-63.1-47.1000115.6R621D561-R621 IonicContact OD1-CZ 3.66Å; D561-R621 VanDerWaalsContact OD1-CZ 3.29Å; D561-R621 IonicContact OD1-NH1 2.69Å; D561-R621 PolarHBondContact OD1-NH1 3.25Å; D561-R621 IonicContact OD1-NH2 3.59Å; D561-R621 PolarHBondContact OD1-NH2 2.92Å
562Q85.3Confident88.1Confident13 Ų1341.6 Ų41.66%0.06119%0.193CC..SBendtrans-134.9158.2-173.1-68.8173-2800111.5L526 I559 I564 S619L526-Q562 PolarHBondContact O-NE2 3.39Å; I559-Q562 HydrophobicContact CG2-CB 4.23Å; Q562-I564 HydrophobicContact CB-CD1 3.51Å; Q562-I564 HydrophobicContact CB-CG1 4.21Å; Q562-I564 HydrophobicContact CG-CD1 4.36Å; Q562-S619 VanDerWaalsContact O-CB 3.23Å; Q562-S619 WeakPolarHBondContact O-CB 3.26Å; Q562-S619 PolarHBondContact O-OG 3.43Å
563Y90.4Very high86.8Confident52 Ų5249 Ų4920%0.20423%0.225CC..  trans-97.984.8176.8-52.6-67.4000110.5R539 L540 R621 D624 Y625R539-Y563 VanDerWaalsContact CA-O 3.27Å; R539-Y563 WeakPolarHBondContact CA-O 3.46Å; R539-Y563 VanDerWaalsContact CB-O 3.31Å; R539-Y563 WeakPolarHBondContact CB-O 3.47Å; L540-Y563 PolarHBondContact N-O 2.81Å; Y563-R621 HydrophobicContact CD1-CB 4.37Å; Y563-R621 WeakPolarHBondContact CD1-O 3.48Å; Y563-R621 HydrophobicContact CE1-CB 4.08Å; Y563-R621 VanDerWaalsContact CE1-O 3.23Å; Y563-R621 WeakPolarHBondContact CE1-O 3.47Å; Y563-D624 HydrophobicContact CE1-CB 4.26Å; Y563-Y625 HydrophobicContact CD1-CD2 4.29Å; Y563-Y625 AromaticContact CD2-CD2 3.87Å; Y563-Y625 HydrophobicContact CD2-CD2 3.87Å; Y563-Y625 HydrophobicContact CE2-CD2 4.36Å; Y563-Y625 AromaticContact CG-CD2 3.82Å; Y563-Y625 HydrophobicContact CG-CD2 3.82Å; Y563-Y625 HydrophobicContact CG-CG 4.49Å
564I92.5Very high85.1Confident0 Ų054.6 Ų54.60%026%0.259CS..EExtended strand (participates in β ladder)trans-122.4142.6-178.6-61.5142.8000111L526 L540 V556 I559 Q562 S619L526-I564 HydrophobicContact CD2-CD1 3.27Å; L526-I564 HydrophobicContact CD2-CG1 4.21Å; L540-I564 HydrophobicContact CB-CG1 4.18Å; L540-I564 VanDerWaalsContact O-CA 3.29Å; L540-I564 WeakPolarHBondContact O-CA 3.42Å; V556-I564 HydrophobicContact CG1-CB 4.39Å; V556-I564 HydrophobicContact CG1-CG2 4.06Å; V556-I564 HydrophobicContact CG2-CG2 4.14Å; I559-I564 HydrophobicContact CD1-CD1 4.12Å; I559-I564 HydrophobicContact CG2-CD1 4.4Å; Q562-I564 HydrophobicContact CB-CD1 3.51Å; Q562-I564 HydrophobicContact CB-CG1 4.21Å; Q562-I564 HydrophobicContact CG-CD1 4.36Å; I564-S619 PolarHBondContact N-OG 3.39Å; I564-S619 WeakPolarHBondContact O-CB 3.44Å; I564-S619 PolarHBondContact O-N 3.17Å; I564-S619 PolarHBondContact O-OG 2.91Å
565A93.8Very high83.3Confident0 Ų050.3 Ų50.30%024%0.244CC..EExtended strand (participates in β ladder)trans-130.3143.6167.200000110.4L540 I541 I542 G617 V618 W622 L694L540-A565 PolarHBondContact O-N 2.87Å; I541-A565 WeakPolarHBondContact CA-O 3.42Å; I541-A565 HydrophobicContact CG1-CB 4.47Å; I542-A565 PolarHBondContact N-O 3.08Å; A565-G617 CarbonylContact C-O 3.6Å; A565-G617 WeakPolarHBondContact CA-O 3.38Å; A565-V618 HydrophobicContact CB-CG1 3.94Å; A565-W622 HydrophobicContact CB-CD2 4.47Å; A565-W622 HydrophobicContact CB-CE3 3.99Å; A565-W622 HydrophobicContact CB-CH2 3.68Å; A565-W622 HydrophobicContact CB-CZ2 4.19Å; A565-W622 HydrophobicContact CB-CZ3 3.57Å; A565-L694 HydrophobicContact CB-CD1 3.64Å
566V94.6Very high81.2Confident0 Ų054 Ų540%027%0.267CS..EExtended strand (participates in β ladder)trans-121.7125.8172.4176.30000108.3I542 L544 W552 V553 V556 Y616 G617I542-V566 HydrophobicContact CB-CG2 4.1Å; I542-V566 HydrophobicContact CD1-CG2 4.23Å; I542-V566 CarbonylContact O-C 3.55Å; I542-V566 VanDerWaalsContact O-CA 3.31Å; I542-V566 WeakPolarHBondContact O-CA 3.42Å; L544-V566 HydrophobicContact CD1-CG1 3.77Å; L544-V566 HydrophobicContact CG-CG1 4.31Å; W552-V566 HydrophobicContact CB-CG1 4.34Å; V553-V566 HydrophobicContact CG2-CB 4.29Å; V553-V566 HydrophobicContact CG2-CG1 3.68Å; V556-V566 HydrophobicContact CB-CG2 4.17Å; V556-V566 HydrophobicContact CG1-CG2 4.48Å; V556-V566 HydrophobicContact CG2-CB 4.37Å; V556-V566 HydrophobicContact CG2-CG2 3.4Å; V566-Y616 CarbonylContact O-C 3.53Å; V566-Y616 WeakPolarHBondContact O-CA 3.46Å; V566-Y616 WeakPolarHBondContact O-CB 3.21Å; V566-G617 PolarHBondContact N-O 3.36Å; V566-G617 PolarHBondContact O-N 2.85Å
567Q94.3Very high79.3Confident0 Ų062 Ų620%031%0.308CS..EExtended strand (participates in β ladder)trans-103127.7166.2-179.970.952.700107.7I542 V543 L544 F588 V615 L694 V695I542-Q567 PolarHBondContact O-N 2.74Å; V543-Q567 WeakPolarHBondContact CA-O 3.28Å; V543-Q567 HydrophobicContact CG1-CB 4.46Å; V543-Q567 HydrophobicContact CG1-CG 4.45Å; V543-Q567 HydrophobicContact CG2-CB 4.34Å; L544-Q567 PolarHBondContact N-O 3.39Å; Q567-F588 HydrophobicContact CG-CE1 4.39Å; Q567-F588 HydrophobicContact CG-CZ 3.67Å; Q567-V615 PolarHBondContact NE2-O 3.12Å; Q567-L694 HydrophobicContact CB-CD2 4.22Å; Q567-V695 PolarHBondContact NE2-O 2.91Å; Q567-V695 PolarHBondContact OE1-O 3.29Å
568G92.1Very high77.5Confident0 Ų065.4 Ų65.40%033%0.329CS..EExtended strand (participates in β ladder)trans-133176.6175.800000111.9S549 V615S549-G568 WeakPolarHBondContact OG-CA 3.4Å; G568-V615 PolarHBondContact N-O 2.92Å; G568-V615 PolarHBondContact O-N 3.32Å
569A89.4Confident75.6Confident0 Ų069 Ų690%035%0.347CS..EExtended strand (participates in β ladder)trans-126.2144.9176.700000111.3S549 F588 K613S549-A569 PolarHBondContact OG-N 3.15Å; S549-A569 PolarHBondContact OG-O 3.31Å; A569-F588 HydrophobicContact CB-CB 3.61Å; A569-F588 HydrophobicContact CB-CD1 3.97Å; A569-F588 HydrophobicContact CB-CD2 3.66Å; A569-F588 HydrophobicContact CB-CE2 4.37Å; A569-F588 HydrophobicContact CB-CG 3.44Å; A569-F588 VanDerWaalsContact CB-CG 3.44Å; A569-K613 CarbonylContact C-O 3.57Å; A569-K613 WeakPolarHBondContact CA-O 3.49Å
570E86.1Confident74.1Confident90 Ų9070.9 Ų70.942%0.42137%0.367SS..EExtended strand (participates in β ladder)trans-114.3115.6168-178.4179.2-162.400107.9T550 K613T550-E570 HydrophobicContact CG2-CB 4.38Å; E570-K613 HydrophobicContact CB-CB 4.28Å; E570-K613 PolarHBondContact N-O 3.41Å; E570-K613 PolarHBondContact O-N 3.16Å
571L81.3Confident73.2Confident25 Ų2574.3 Ų74.313%0.13139%0.385CS..EExtended strand (participates in β ladder)trans-93.3115.1178.6-55.4175.9000108.3K573 P583 L585 V612L571-K573 PolarHBondContact O-N 2.87Å; L571-P583 HydrophobicContact CB-CB 4.38Å; L571-P583 HydrophobicContact CB-CG 4.18Å; L571-P583 HydrophobicContact CD2-CB 4.1Å; L571-L585 HydrophobicContact CD1-CD2 4.12Å; L571-V612 HydrophobicContact CD2-CB 4.42Å; L571-V612 HydrophobicContact CD2-CG1 4.07Å; L571-V612 HydrophobicContact CD2-CG2 3.85Å
572V75Confident72.6Confident37 Ų3773.7 Ų73.722%0.22439%0.386CS..  trans-76.1112.8-179.3-1790000108.8T574 P583 T611 K613V572-T574 VanDerWaalsContact C-N 3.29Å; V572-T574 PolarHBondContact O-N 3.27Å; V572-P583 VanDerWaalsContact O-CG 3.28Å; V572-P583 WeakPolarHBondContact O-CG 3.34Å; V572-T611 PolarHBondContact N-O 2.88Å; V572-K613 HydrophobicContact CG2-CD 4.39Å
573K63.7Low71.9Confident163 Ų16374 Ų7471%0.70939%0.389SS*.  trans-75.2-12.5-176.8-63.8-170.6177-168.50114.2E547 L571E547-K573 IonicContact OE2-NZ 3.98Å; E547-K573 PolarHBondContact OE2-NZ 2.82Å; L571-K573 PolarHBondContact O-N 2.87Å
574T54.7Low71.3Confident123 Ų12375.1 Ų75.176%0.75540%0.396SS*.  trans-108.1101.1-179.752.70000110.5V572V572-T574 VanDerWaalsContact C-N 3.29Å; V572-T574 PolarHBondContact O-N 3.27Å
575V52Low70.8Confident45 Ų4575.9 Ų75.927%0.27340%0.4SS..  trans-106.6132.7168.5-172.70000106.8I577 A580 T611V575-I577 PolarHBondContact O-N 3.34Å; V575-A580 HydrophobicContact CG1-CB 4.34Å; V575-T611 HydrophobicContact CG2-CG2 4.12Å
576D47.4Very low70.3Confident159 Ų15976.2 Ų76.285%0.8540%0.403SS*.  trans-56.5133.8171.1-87.4-38.3000109.3E578D576-E578 VanDerWaalsContact C-N 3.31Å; D576-E578 PolarHBondContact O-N 2.9Å
577I49.6Very low69.9Low168 Ų16878.5 Ų78.586%0.86242%0.416SS*.THydrogen-bonded Turntrans-726.4-147.2-78.1169.8000117V575V575-I577 PolarHBondContact O-N 3.34Å
578E49.1Very low69.7Low185 Ų18578.5 Ų78.586%0.86442%0.416SS*.THydrogen-bonded Turntrans-112-11.2-165.5-69.8-167.4158.100119.3D576D576-E578 VanDerWaalsContact C-N 3.31Å; D576-E578 PolarHBondContact O-N 2.9Å
579E50Low69.6Low198 Ų19878.6 Ų78.693%0.92542%0.416SS*.SBendtrans-148.90.9-173.9-106.6174.4-173.700119.5
580A54.6Low69.6Low65 Ų6585.4 Ų85.454%0.53745%0.446SS..  trans-139.6134.6-179.200000114.5V575V575-A580 HydrophobicContact CG1-CB 4.34Å
581D60Low69.7Low148 Ų14883.1 Ų83.179%0.79144%0.436SS*.PPolyproline II helixtrans-56.7141.8171.3-70.9-37.8000110.8
582P67.8Low70.2Confident77 Ų7782 Ų8250%0.543%0.43SS..PPolyproline II helixtrans-61.5143.9178.826-33.9000110.6Q584P582-Q584 PolarHBondContact O-N 2.82Å
583P71.7Confident71Confident18 Ų1880.2 Ų80.212%0.11742%0.419CS..PPolyproline II helixtrans-62.8131.4179.827.3-34.8000110.4L571 V572 V612L571-P583 HydrophobicContact CB-CB 4.38Å; L571-P583 HydrophobicContact CB-CG 4.18Å; L571-P583 HydrophobicContact CD2-CB 4.1Å; V572-P583 VanDerWaalsContact O-CG 3.28Å; V572-P583 WeakPolarHBondContact O-CG 3.34Å; P583-V612 HydrophobicContact CB-CG2 3.89Å
584Q78.3Confident72.2Confident76 Ų7674.7 Ų74.736%0.35540%0.396SS..  trans-122.2163.9-175.2-78.7-178.127.800110.7R443 P582 G586 D587R443-Q584 VanDerWaalsContact NH1-CD 3.34Å; R443-Q584 VanDerWaalsContact NH2-C 3.27Å; R443-Q584 PolarHBondContact NH2-O 2.86Å; R443-Q584 VanDerWaalsContact NH2-O 3.09Å; P582-Q584 PolarHBondContact O-N 2.82Å; Q584-G586 PolarHBondContact O-N 2.86Å; Q584-D587 PolarHBondContact N-OD2 3.42Å; Q584-D587 WeakPolarHBondContact O-CB 3.4Å; Q584-D587 PolarHBondContact O-N 3.48Å; Q584-D587 VanDerWaalsContact O-N 3.14Å; Q584-D587 VanDerWaalsContact O-OD2 3.09Å
585L81.3Confident73.8Confident17 Ų1771.3 Ų71.39%0.08937%0.37CS..THydrogen-bonded Turntrans-59.8130.2-178.9-66.4173000111.5T420 R443 E547 L571T420-L585 HydrophobicContact CG2-CD1 3.18Å; R443-L585 VanDerWaalsContact CZ-O 3.27Å; R443-L585 PolarHBondContact NE-O 2.79Å; R443-L585 PolarHBondContact NH2-O 2.98Å; R443-L585 VanDerWaalsContact NH2-O 3.1Å; E547-L585 HydrophobicContact CG-CD2 4.38Å; L571-L585 HydrophobicContact CD1-CD2 4.12Å
586G82.8Confident75.6Confident6 Ų670 Ų706%0.06236%0.361CS..THydrogen-bonded Turntrans102.2-18.3-174.300000114.7M447 D545 Q584 F588 T589 K590M447-G586 WeakPolarHBondContact SD-CA 3.4Å; D545-G586 VanDerWaalsContact CG-N 3.34Å; D545-G586 PolarHBondContact OD1-N 2.89Å; D545-G586 WeakPolarHBondContact OD2-CA 3.37Å; D545-G586 PolarHBondContact OD2-N 3.23Å; Q584-G586 PolarHBondContact O-N 2.86Å; G586-F588 VanDerWaalsContact C-N 3.32Å; G586-T589 PolarHBondContact O-N 2.65Å; G586-K590 WeakPolarHBondContact O-CB 3.25Å; G586-K590 PolarHBondContact O-N 3.04Å
587D86.3Confident77.4Confident49 Ų4962.9 Ų62.926%0.26232%0.324SS..Hα-helixtrans-66.6-39.5173.4-69.2-32.6000110.4R443 Q584 K590 D591 V612R443-D587 IonicContact CZ-OD1 3.86Å; R443-D587 IonicContact NH2-OD1 3.61Å; R443-D587 PolarHBondContact NH2-OD1 2.9Å; R443-D587 IonicContact NH2-OD2 2.79Å; R443-D587 PolarHBondContact NH2-OD2 3.27Å; Q584-D587 PolarHBondContact N-OD2 3.42Å; Q584-D587 WeakPolarHBondContact O-CB 3.4Å; Q584-D587 PolarHBondContact O-N 3.48Å; Q584-D587 VanDerWaalsContact O-N 3.14Å; Q584-D587 VanDerWaalsContact O-OD2 3.09Å; D587-K590 PolarHBondContact O-N 3.47Å; D587-D591 PolarHBondContact O-N 2.78Å; D587-D591 VanDerWaalsContact O-N 3.1Å; D587-V612 HydrophobicContact CB-CG2 3.97Å
588F90Very high79Confident0 Ų057.1 Ų57.10%030%0.295CS..Hα-helixtrans-59.5-50.1171169.8-105.8000111.7V543 D545 Q567 A569 G586 K590 D591 W592 W605 V612 A614V543-F588 HydrophobicContact CG1-CE1 4.1Å; D545-F588 HydrophobicContact CB-CD1 4.12Å; Q567-F588 HydrophobicContact CG-CE1 4.39Å; Q567-F588 HydrophobicContact CG-CZ 3.67Å; A569-F588 HydrophobicContact CB-CB 3.61Å; A569-F588 HydrophobicContact CB-CD1 3.97Å; A569-F588 HydrophobicContact CB-CD2 3.66Å; A569-F588 HydrophobicContact CB-CE2 4.37Å; A569-F588 HydrophobicContact CB-CG 3.44Å; A569-F588 VanDerWaalsContact CB-CG 3.44Å; G586-F588 VanDerWaalsContact C-N 3.32Å; F588-K590 VanDerWaalsContact C-N 3.32Å; F588-K590 PolarHBondContact O-N 3Å; F588-D591 PolarHBondContact O-N 3.18Å; F588-W592 HydrophobicContact CD2-CB 4.42Å; F588-W592 HydrophobicContact CE1-CB 4.24Å; F588-W592 HydrophobicContact CE1-CG 4.35Å; F588-W592 HydrophobicContact CE2-CB 3.96Å; F588-W592 HydrophobicContact CE2-CG 4.23Å; F588-W592 HydrophobicContact CZ-CB 3.84Å; F588-W592 AromaticContact CZ-CD1 3.83Å; F588-W592 AromaticContact CZ-CG 3.78Å; F588-W592 HydrophobicContact CZ-CG 3.78Å; F588-W592 WeakPolarHBondContact O-CB 3.47Å; F588-W592 PolarHBondContact O-N 2.95Å; F588-W605 HydrophobicContact CD2-CH2 4.07Å; F588-W605 HydrophobicContact CD2-CZ3 4.48Å; F588-W605 HydrophobicContact CE2-CH2 4.12Å; F588-V612 HydrophobicContact CB-CG1 3.76Å; F588-V612 HydrophobicContact CD2-CG1 4.18Å; F588-V612 HydrophobicContact CG-CG1 4.47Å; F588-A614 HydrophobicContact CE2-CB 4.05Å
589T90.8Very high79.9Confident1 Ų153.1 Ų53.11%0.00629%0.288CS..Hα-helixtrans-60.1-42.7-179.2-66.20000112.1A450 I451 Y501 D545 G586 W592 V593A450-T589 HydrophobicContact CB-CG2 4.26Å; I451-T589 HydrophobicContact CD1-CG2 3.81Å; I451-T589 HydrophobicContact CG1-CG2 3.78Å; Y501-T589 HydrophobicContact CE2-CG2 4.1Å; Y501-T589 WeakPolarHBondContact CE2-OG1 3.26Å; Y501-T589 PolarHBondContact OH-OG1 2.84Å; D545-T589 WeakPolarHBondContact CB-OG1 3.32Å; D545-T589 VanDerWaalsContact OD2-CB 3.26Å; D545-T589 WeakPolarHBondContact OD2-CB 3.47Å; D545-T589 PolarHBondContact OD2-N 2.94Å; D545-T589 PolarHBondContact OD2-OG1 2.67Å; G586-T589 PolarHBondContact O-N 2.65Å; T589-W592 PolarHBondContact O-N 2.66Å; T589-V593 HydrophobicContact CG2-CG2 4.14Å; T589-V593 VanDerWaalsContact O-CB 3.28Å; T589-V593 WeakPolarHBondContact O-CB 3.22Å; T589-V593 WeakPolarHBondContact O-CG2 3.48Å; T589-V593 PolarHBondContact O-N 3.1Å
590K89.4Confident80.7Confident144 Ų14448 Ų4863%0.62627%0.274SS*.Hα-helixtrans-58.8-51.9176.7-176.2-176.8175.4-172.80111.5G586 D587 F588 E594G586-K590 WeakPolarHBondContact O-CB 3.25Å; G586-K590 PolarHBondContact O-N 3.04Å; D587-K590 PolarHBondContact O-N 3.47Å; F588-K590 VanDerWaalsContact C-N 3.32Å; F588-K590 PolarHBondContact O-N 3Å; K590-E594 WeakPolarHBondContact O-CB 3.07Å; K590-E594 PolarHBondContact O-N 2.82Å
591D89.1Confident81.4Confident41 Ų4147.8 Ų47.822%0.21926%0.264CS..Hα-helixtrans-65.8-41.9-179.3-80.30.8000112.3D587 F588 E594 Y595 I603 W605 R610D587-D591 PolarHBondContact O-N 2.78Å; D587-D591 VanDerWaalsContact O-N 3.1Å; F588-D591 PolarHBondContact O-N 3.18Å; D591-E594 PolarHBondContact O-N 3.09Å; D591-Y595 VanDerWaalsContact O-CB 3.31Å; D591-Y595 WeakPolarHBondContact O-CB 3.37Å; D591-Y595 PolarHBondContact O-N 3.36Å; D591-I603 HydrophobicContact CB-CD1 4.34Å; D591-W605 HydrophobicContact CB-CH2 3.86Å; D591-W605 HydrophobicContact CB-CZ2 4.13Å; D591-R610 IonicContact OD2-NH2 2.71Å; D591-R610 PolarHBondContact OD2-NH2 3.43Å
592W91.4Very high81.9Confident1 Ų148.1 Ų48.10%0.00427%0.265CS..Hα-helixtrans-68.5-41.6-179-177.280000112.3I451 F454 V543 F588 T589 N596 W605 F692I451-W592 HydrophobicContact CD1-CZ3 4.48Å; F454-W592 HydrophobicContact CD1-CH2 4.38Å; F454-W592 HydrophobicContact CD1-CZ3 4.13Å; F454-W592 HydrophobicContact CD2-CH2 4.17Å; F454-W592 AromaticContact CD2-CZ3 3.83Å; F454-W592 HydrophobicContact CD2-CZ3 3.83Å; F454-W592 AromaticContact CE1-CH2 3.78Å; F454-W592 HydrophobicContact CE1-CH2 3.78Å; F454-W592 AromaticContact CE1-CZ3 3.99Å; F454-W592 HydrophobicContact CE1-CZ3 3.99Å; F454-W592 AromaticContact CE2-CH2 3.51Å; F454-W592 HydrophobicContact CE2-CH2 3.51Å; F454-W592 HydrophobicContact CE2-CZ2 4.29Å; F454-W592 AromaticContact CE2-CZ3 3.66Å; F454-W592 HydrophobicContact CE2-CZ3 3.66Å; F454-W592 HydrophobicContact CG-CZ3 4.08Å; F454-W592 AromaticContact CZ-CH2 3.31Å; F454-W592 HydrophobicContact CZ-CH2 3.31Å; F454-W592 HydrophobicContact CZ-CZ2 4.23Å; F454-W592 AromaticContact CZ-CZ3 3.77Å; F454-W592 HydrophobicContact CZ-CZ3 3.77Å; V543-W592 HydrophobicContact CG1-CZ3 4.42Å; V543-W592 HydrophobicContact CG2-CH2 4.1Å; V543-W592 HydrophobicContact CG2-CZ2 4.36Å; F588-W592 HydrophobicContact CD2-CB 4.42Å; F588-W592 HydrophobicContact CE1-CB 4.24Å; F588-W592 HydrophobicContact CE1-CG 4.35Å; F588-W592 HydrophobicContact CE2-CB 3.96Å; F588-W592 HydrophobicContact CE2-CG 4.23Å; F588-W592 HydrophobicContact CZ-CB 3.84Å; F588-W592 AromaticContact CZ-CD1 3.83Å; F588-W592 AromaticContact CZ-CG 3.78Å; F588-W592 HydrophobicContact CZ-CG 3.78Å; F588-W592 WeakPolarHBondContact O-CB 3.47Å; F588-W592 PolarHBondContact O-N 2.95Å; T589-W592 PolarHBondContact O-N 2.66Å; W592-N596 VanDerWaalsContact CE2-ND2 3.3Å; W592-N596 PolarHBondContact NE1-ND2 3.27Å; W592-N596 PolarHBondContact O-N 3.49Å; W592-N596 VanDerWaalsContact O-N 3.14Å; W592-N596 PolarHBondContact O-ND2 3.49Å; W592-W605 HydrophobicContact CB-CZ2 4.3Å; W592-F692 HydrophobicContact CH2-CD2 4.48Å; W592-F692 HydrophobicContact CZ2-CD2 4.24Å
593V91Very high82.5Confident0 Ų045.7 Ų45.70%025%0.248CC..Hα-helixtrans-65.9-45.5174.5172.80000109.9A450 I451 F454 T589 Y595 N596 C597A450-V593 HydrophobicContact CB-CG2 4.28Å; A450-V593 WeakPolarHBondContact O-CG1 3.41Å; I451-V593 HydrophobicContact CD1-CG2 4.07Å; F454-V593 HydrophobicContact CB-CG1 4.05Å; F454-V593 HydrophobicContact CB-CG2 3.99Å; T589-V593 HydrophobicContact CG2-CG2 4.14Å; T589-V593 VanDerWaalsContact O-CB 3.28Å; T589-V593 WeakPolarHBondContact O-CB 3.22Å; T589-V593 WeakPolarHBondContact O-CG2 3.48Å; T589-V593 PolarHBondContact O-N 3.1Å; V593-Y595 VanDerWaalsContact C-N 3.33Å; V593-Y595 PolarHBondContact O-N 3.23Å; V593-N596 PolarHBondContact O-N 2.85Å; V593-C597 VanDerWaalsContact O-CB 3.26Å; V593-C597 WeakPolarHBondContact O-CB 3.39Å; V593-C597 PolarHBondContact O-N 2.58Å; V593-C597 PolarHBondContact O-SG 3.44Å; V593-C597 VanDerWaalsContact O-SG 3.33Å
594E89.7Confident83Confident47 Ų4747.5 Ų47.522%0.2226%0.26CS..Hα-helixtrans-63.9-39.2179.6-168.268-158.200111.7R453 K590 D591 N596 N598 N601 I603R453-E594 IonicContact CZ-OE2 2.65Å; R453-E594 IonicContact NH1-OE2 3.23Å; R453-E594 PolarHBondContact NH1-OE2 2.96Å; R453-E594 IonicContact NH2-OE2 3.04Å; R453-E594 PolarHBondContact NH2-OE2 3.28Å; K590-E594 WeakPolarHBondContact O-CB 3.07Å; K590-E594 PolarHBondContact O-N 2.82Å; D591-E594 PolarHBondContact O-N 3.09Å; E594-N596 VanDerWaalsContact C-N 3.32Å; E594-N596 PolarHBondContact O-N 3.34Å; E594-N598 HydrophobicContact CG-CB 4.36Å; E594-N598 VanDerWaalsContact O-CB 3.29Å; E594-N598 WeakPolarHBondContact O-CB 3.44Å; E594-N598 PolarHBondContact O-N 3.49Å; E594-N598 WeakPolarHBondContact OE1-CB 3.3Å; E594-N598 PolarHBondContact OE1-ND2 3.33Å; E594-N601 WeakPolarHBondContact CG-ND2 3.45Å; E594-I603 HydrophobicContact CB-CD1 4.25Å; E594-I603 HydrophobicContact CG-CD1 4.48Å
595Y88.5Confident83.2Confident53 Ų5344.3 Ų44.321%0.20825%0.245CC..Hα-helixtrans-60.2-38.3173.8178.1-95.1000113.1D591 V593 I603 W605 K693 V695D591-Y595 VanDerWaalsContact O-CB 3.31Å; D591-Y595 WeakPolarHBondContact O-CB 3.37Å; D591-Y595 PolarHBondContact O-N 3.36Å; V593-Y595 VanDerWaalsContact C-N 3.33Å; V593-Y595 PolarHBondContact O-N 3.23Å; Y595-I603 HydrophobicContact CD2-CB 4.2Å; Y595-I603 HydrophobicContact CD2-CG2 4.13Å; Y595-W605 AromaticContact CD1-NE1 3.69Å; Y595-W605 AromaticContact CD2-CD1 3.75Å; Y595-W605 AromaticContact CD2-NE1 3.46Å; Y595-W605 AromaticContact CE2-CD1 3.75Å; Y595-W605 AromaticContact CE2-NE1 3.94Å; Y595-W605 AromaticContact CG-NE1 3.33Å; Y595-W605 VanDerWaalsContact CG-NE1 3.33Å; Y595-K693 HydrophobicContact CE1-CB 4.32Å; Y595-K693 HydrophobicContact CE1-CD 4.25Å; Y595-V695 HydrophobicContact CD1-CG1 3.93Å; Y595-V695 HydrophobicContact CE1-CG1 3.44Å; Y595-V695 VanDerWaalsContact CE1-CG1 3.44Å
596N88.9Confident83.1Confident16 Ų1647.1 Ų47.19%0.08626%0.263CS..Hα-helixtrans-86.6-28.7-177.5-77.9-71000113.8F454 H458 W592 V593 E594 F692 K693F454-N596 HydrophobicContact CD2-CB 4.3Å; F454-N596 HydrophobicContact CE2-CB 3.96Å; H458-N596 PolarHBondContact CE1-O 3.49Å; H458-N596 PolarHBondContact NE2-O 2.83Å; W592-N596 VanDerWaalsContact CE2-ND2 3.3Å; W592-N596 PolarHBondContact NE1-ND2 3.27Å; W592-N596 PolarHBondContact O-N 3.49Å; W592-N596 VanDerWaalsContact O-N 3.14Å; W592-N596 PolarHBondContact O-ND2 3.49Å; V593-N596 PolarHBondContact O-N 2.85Å; E594-N596 VanDerWaalsContact C-N 3.32Å; E594-N596 PolarHBondContact O-N 3.34Å; N596-F692 HydrophobicContact CB-CB 4.3Å; N596-K693 PolarHBondContact OD1-N 2.9Å; N596-K693 PolarHBondContact OD1-O 3.45Å
597C86.3Confident82.9Confident11 Ų1152.5 Ų52.57%0.07429%0.286CS..Hα-helixtrans-95.2-20.2-177.4-61.60000113.6Y457 V593Y457-C597 HydrophobicContact CD1-CB 3.99Å; Y457-C597 HydrophobicContact CD2-CB 4.18Å; Y457-C597 HydrophobicContact CE1-CB 4.35Å; Y457-C597 WeakPolarHBondContact CE2-O 3.28Å; Y457-C597 HydrophobicContact CG-CB 3.9Å; Y457-C597 PolarHBondContact OH-O 2.9Å; V593-C597 VanDerWaalsContact O-CB 3.26Å; V593-C597 WeakPolarHBondContact O-CB 3.39Å; V593-C597 PolarHBondContact O-N 2.58Å; V593-C597 PolarHBondContact O-SG 3.44Å; V593-C597 VanDerWaalsContact O-SG 3.33Å
598N82.6Confident82.2Confident46 Ų4659.9 Ų59.925%0.24632%0.316CS..  trans-118.8105.1-177.3-169.1-6.6000112.3E594 S600 N601E594-N598 HydrophobicContact CG-CB 4.36Å; E594-N598 VanDerWaalsContact O-CB 3.29Å; E594-N598 WeakPolarHBondContact O-CB 3.44Å; E594-N598 PolarHBondContact O-N 3.49Å; E594-N598 WeakPolarHBondContact OE1-CB 3.3Å; E594-N598 PolarHBondContact OE1-ND2 3.33Å; N598-S600 PolarHBondContact O-N 2.91Å; N598-S600 PolarHBondContact OD1-N 3.41Å; N598-S600 PolarHBondContact OD1-OG 2.88Å; N598-N601 HydrophobicContact CB-CB 4.09Å; N598-N601 PolarHBondContact O-N 3.42Å
599S67.5Low81.3Confident102 Ų10263.6 Ų63.671%0.71336%0.355SS*.THydrogen-bonded Turntrans-66.6-16.8177.863.40000114.9
600S66.9Low80.7Confident90 Ų9065.8 Ų65.863%0.62936%0.363SS*.THydrogen-bonded Turntrans-96.60.4-178.767.20000113.8N598N598-S600 PolarHBondContact O-N 2.91Å; N598-S600 PolarHBondContact OD1-N 3.41Å; N598-S600 PolarHBondContact OD1-OG 2.88Å
601N69.4Low80.3Confident61 Ų6161.6 Ų61.633%0.32635%0.349SS..  trans-82.3142.6-173.6-161.611.3000112.4E594 N598 I603E594-N601 WeakPolarHBondContact CG-ND2 3.45Å; N598-N601 HydrophobicContact CB-CB 4.09Å; N598-N601 PolarHBondContact O-N 3.42Å; N601-I603 VanDerWaalsContact C-N 3.29Å; N601-I603 WeakPolarHBondContact ND2-CD1 3.43Å; N601-I603 VanDerWaalsContact ND2-CG1 3.28Å; N601-I603 WeakPolarHBondContact ND2-CG1 3.27Å; N601-I603 PolarHBondContact O-N 2.87Å
602N71.2Confident80.1Confident154 Ų15459.8 Ų59.882%0.82434%0.34SS*.  trans-8814.7-176.8-72.9-20.9000113.5C604N602-C604 PolarHBondContact O-N 2.92Å; N602-C604 VanDerWaalsContact O-N 3.09Å
603I80.2Confident79.9Confident26 Ų2663.8 Ų63.813%0.13336%0.357CS..  trans-65.1114.3-179.9-67.8174.6000110D591 E594 Y595 N601 W605D591-I603 HydrophobicContact CB-CD1 4.34Å; E594-I603 HydrophobicContact CB-CD1 4.25Å; E594-I603 HydrophobicContact CG-CD1 4.48Å; Y595-I603 HydrophobicContact CD2-CB 4.2Å; Y595-I603 HydrophobicContact CD2-CG2 4.13Å; N601-I603 VanDerWaalsContact C-N 3.29Å; N601-I603 WeakPolarHBondContact ND2-CD1 3.43Å; N601-I603 VanDerWaalsContact ND2-CG1 3.28Å; N601-I603 WeakPolarHBondContact ND2-CG1 3.27Å; N601-I603 PolarHBondContact O-N 2.87Å; I603-W605 HydrophobicContact CG2-CZ2 4.37Å
604C80.8Confident79.8Confident57 Ų5763.8 Ų63.839%0.38536%0.357SS..  trans-110108.6175.5-165.40000110.2N602 T606 E607N602-C604 PolarHBondContact O-N 2.92Å; N602-C604 VanDerWaalsContact O-N 3.09Å; C604-T606 PolarHBondContact O-N 2.79Å; C604-T606 PolarHBondContact SG-OG1 3.34Å; C604-E607 HydrophobicContact CB-CB 4.38Å; C604-E607 WeakPolarHBondContact O-CB 3.21Å; C604-E607 PolarHBondContact O-N 3.21Å
605W83Confident79.9Confident8 Ų863 Ų633%0.0336%0.356CS..THydrogen-bonded Turntrans-66.7-23.1-179-71.2101000113.6F588 D591 W592 Y595 I603 E607 A614 V695 S697F588-W605 HydrophobicContact CD2-CH2 4.07Å; F588-W605 HydrophobicContact CD2-CZ3 4.48Å; F588-W605 HydrophobicContact CE2-CH2 4.12Å; D591-W605 HydrophobicContact CB-CH2 3.86Å; D591-W605 HydrophobicContact CB-CZ2 4.13Å; W592-W605 HydrophobicContact CB-CZ2 4.3Å; Y595-W605 AromaticContact CD1-NE1 3.69Å; Y595-W605 AromaticContact CD2-CD1 3.75Å; Y595-W605 AromaticContact CD2-NE1 3.46Å; Y595-W605 AromaticContact CE2-CD1 3.75Å; Y595-W605 AromaticContact CE2-NE1 3.94Å; Y595-W605 AromaticContact CG-NE1 3.33Å; Y595-W605 VanDerWaalsContact CG-NE1 3.33Å; I603-W605 HydrophobicContact CG2-CZ2 4.37Å; W605-E607 VanDerWaalsContact C-N 3.32Å; W605-A614 HydrophobicContact CD2-CB 4Å; W605-A614 HydrophobicContact CE3-CB 3.42Å; W605-A614 VanDerWaalsContact CE3-CB 3.42Å; W605-A614 HydrophobicContact CH2-CB 4.23Å; W605-A614 HydrophobicContact CZ3-CB 3.56Å; W605-V695 HydrophobicContact CD2-CB 4.32Å; W605-V695 HydrophobicContact CD2-CG2 3.98Å; W605-V695 HydrophobicContact CG-CB 3.95Å; W605-V695 HydrophobicContact CG-CG1 4.37Å; W605-V695 HydrophobicContact CG-CG2 4.14Å; W605-V695 HydrophobicContact CZ2-CG2 4.23Å; W605-S697 WeakPolarHBondContact O-CA 3.43Å; W605-S697 WeakPolarHBondContact O-CB 3.05Å; W605-S697 PolarHBondContact O-OG 2.83Å
606T78.8Confident80.1Confident76 Ų7660.6 Ų60.647%0.46635%0.346SS..THydrogen-bonded Turntrans-83.4-2.4179.649.90000114.6C604 T684C604-T606 PolarHBondContact O-N 2.79Å; C604-T606 PolarHBondContact SG-OG1 3.34Å; T606-T684 HydrophobicContact CG2-CG2 3.38Å
607E79.9Confident80.2Confident119 Ų11959.8 Ų59.856%0.55634%0.342SS*.  trans-66.6132.7-179.4-170.5172.5-162.800111.1C604 W605 R610C604-E607 HydrophobicContact CB-CB 4.38Å; C604-E607 WeakPolarHBondContact O-CB 3.21Å; C604-E607 PolarHBondContact O-N 3.21Å; W605-E607 VanDerWaalsContact C-N 3.32Å; E607-R610 HydrophobicContact CB-CG 4.44Å
608K71.9Confident80.5Confident205 Ų20560 Ų6089%0.89134%0.343SS*.THydrogen-bonded Turntrans-78.2132.7179.6-65.6-176.7179.4-179.80109.3
609G69.9Low81Confident78 Ų7858 Ų5880%0.80433%0.332SS*.THydrogen-bonded Turntrans104.42.6176.500000115.7T611G609-T611 PolarHBondContact O-N 2.88Å
610R79Confident81.8Confident46 Ų4658.6 Ų58.617%0.17432%0.322CS..  trans-63.5134.6174.3-63.1-175.674.490.63.1111.6D591 E607 V612D591-R610 IonicContact OD2-NH2 2.71Å; D591-R610 PolarHBondContact OD2-NH2 3.43Å; E607-R610 HydrophobicContact CB-CG 4.44Å; R610-V612 VanDerWaalsContact C-N 3.33Å
611T80.1Confident82.7Confident56 Ų5658.6 Ų58.634%0.34431%0.308SS..SBendtrans-69.7-31.3173.352.60000112.1V572 V575 G609V572-T611 PolarHBondContact N-O 2.88Å; V575-T611 HydrophobicContact CG2-CG2 4.12Å; G609-T611 PolarHBondContact O-N 2.88Å
612V84.5Confident83.5Confident4 Ų456.5 Ų56.52%0.02430%0.296CS..EExtended strand (participates in β ladder)trans-109.9116.5174.5-176.30000109.9L571 P583 D587 F588 R610L571-V612 HydrophobicContact CD2-CB 4.42Å; L571-V612 HydrophobicContact CD2-CG1 4.07Å; L571-V612 HydrophobicContact CD2-CG2 3.85Å; P583-V612 HydrophobicContact CB-CG2 3.89Å; D587-V612 HydrophobicContact CB-CG2 3.97Å; F588-V612 HydrophobicContact CB-CG1 3.76Å; F588-V612 HydrophobicContact CD2-CG1 4.18Å; F588-V612 HydrophobicContact CG-CG1 4.47Å; R610-V612 VanDerWaalsContact C-N 3.33Å
613K87.9Confident84Confident85 Ų8550 Ų5037%0.3726%0.262SS..EExtended strand (participates in β ladder)trans-104.8133.6175.9-67178.1-175.4170.30110.6A569 E570 V572A569-K613 CarbonylContact C-O 3.57Å; A569-K613 WeakPolarHBondContact CA-O 3.49Å; E570-K613 HydrophobicContact CB-CB 4.28Å; E570-K613 PolarHBondContact N-O 3.41Å; E570-K613 PolarHBondContact O-N 3.16Å; V572-K613 HydrophobicContact CG2-CD 4.39Å
614A89.6Confident84.1Confident0 Ų049.1 Ų49.10%026%0.258CS..EExtended strand (participates in β ladder)trans-89.6136.2174.800000110.7F588 W605 V695 K696 S697F588-A614 HydrophobicContact CE2-CB 4.05Å; W605-A614 HydrophobicContact CD2-CB 4Å; W605-A614 HydrophobicContact CE3-CB 3.42Å; W605-A614 VanDerWaalsContact CE3-CB 3.42Å; W605-A614 HydrophobicContact CH2-CB 4.23Å; W605-A614 HydrophobicContact CZ3-CB 3.56Å; A614-V695 HydrophobicContact CB-CG2 3.78Å; A614-V695 WeakPolarHBondContact CB-O 3.22Å; A614-K696 CarbonylContact O-C 3.58Å; A614-K696 WeakPolarHBondContact O-CA 3.5Å; A614-S697 PolarHBondContact N-OG 2.94Å; A614-S697 VanDerWaalsContact N-OG 3.14Å; A614-S697 PolarHBondContact O-N 3.39Å
615V91.1Very high84.1Confident31 Ų3148 Ų4819%0.18825%0.246CC..EExtended strand (participates in β ladder)trans-131.6141.7174.6-71.20000109.8T550 V553 Q567 G568T550-V615 HydrophobicContact CG2-CG2 4.35Å; V553-V615 HydrophobicContact CG2-CG2 4.2Å; Q567-V615 PolarHBondContact NE2-O 3.12Å; G568-V615 PolarHBondContact N-O 2.92Å; G568-V615 PolarHBondContact O-N 3.32Å
616Y93.6Very high83.9Confident1 Ų150.8 Ų50.80%0.00426%0.264CS..EExtended strand (participates in β ladder)trans-138.9158173.583.9-92000112.7V553 R557 V566 V618 L682 P683 L686 L694 V695 K696V553-Y616 VanDerWaalsContact CG1-C 3.46Å; R557-Y616 PolarHBondContact NH2-O 3.45Å; V566-Y616 CarbonylContact O-C 3.53Å; V566-Y616 WeakPolarHBondContact O-CA 3.46Å; V566-Y616 WeakPolarHBondContact O-CB 3.21Å; Y616-V618 HydrophobicContact CD2-CG1 4.07Å; Y616-V618 HydrophobicContact CE2-CG1 4.01Å; Y616-L682 HydrophobicContact CE2-CD1 3.78Å; Y616-L682 HydrophobicContact CE2-CD2 4.09Å; Y616-L682 HydrophobicContact CE2-CG 4.02Å; Y616-L682 WeakPolarHBondContact OH-CG 3.31Å; Y616-P683 VanDerWaalsContact CE1-O 3.32Å; Y616-P683 WeakPolarHBondContact CE1-O 3.18Å; Y616-P683 VanDerWaalsContact CZ-O 3.3Å; Y616-P683 WeakPolarHBondContact OH-CD 3.41Å; Y616-P683 WeakPolarHBondContact OH-CG 3.39Å; Y616-P683 PolarHBondContact OH-O 3.01Å; Y616-L686 HydrophobicContact CD2-CD2 4.47Å; Y616-L686 HydrophobicContact CE2-CB 4.09Å; Y616-L686 HydrophobicContact CE2-CD2 3.71Å; Y616-L694 HydrophobicContact CD1-CB 4.43Å; Y616-L694 HydrophobicContact CD2-CB 4.29Å; Y616-L694 HydrophobicContact CD2-CD1 4.48Å; Y616-L694 HydrophobicContact CG-CB 4.13Å; Y616-V695 WeakPolarHBondContact CD1-O 3.23Å; Y616-K696 HydrophobicContact CD1-CB 3.65Å; Y616-K696 HydrophobicContact CE1-CB 3.63Å
617G91.1Very high84Confident0 Ų049.1 Ų49.10%025%0.252CS..EExtended strand (participates in β ladder)trans-140.3143.1-179.700000110.3A565 V566A565-G617 CarbonylContact C-O 3.6Å; A565-G617 WeakPolarHBondContact CA-O 3.38Å; V566-G617 PolarHBondContact N-O 3.36Å; V566-G617 PolarHBondContact O-N 2.85Å
618V92.6Very high83.8Confident16 Ų1644.7 Ų44.710%0.09723%0.231CC..EExtended strand (participates in β ladder)trans-128.7145177.8-62.90000110.2A565 Y616 W622 M678 L682 L686A565-V618 HydrophobicContact CB-CG1 3.94Å; Y616-V618 HydrophobicContact CD2-CG1 4.07Å; Y616-V618 HydrophobicContact CE2-CG1 4.01Å; V618-W622 HydrophobicContact CB-CB 3.87Å; V618-W622 HydrophobicContact CB-CD2 4.34Å; V618-W622 HydrophobicContact CB-CG 3.87Å; V618-W622 HydrophobicContact CG1-CD2 4.19Å; V618-W622 HydrophobicContact CG1-CG 4.05Å; V618-W622 HydrophobicContact CG2-CB 4.3Å; V618-W622 HydrophobicContact CG2-CG 4.47Å; V618-M678 HydrophobicContact CG2-CE 4.49Å; V618-L682 HydrophobicContact CG2-CD1 3.93Å; V618-L686 HydrophobicContact CG1-CD2 3.71Å
619S91.3Very high84Confident2 Ų240 Ų401%0.01422%0.215CC..  trans-59154170.153.20000112.3V556 Q562 I564 R621 W622V556-S619 WeakPolarHBondContact O-CA 3.45Å; Q562-S619 VanDerWaalsContact O-CB 3.23Å; Q562-S619 WeakPolarHBondContact O-CB 3.26Å; Q562-S619 PolarHBondContact O-OG 3.43Å; I564-S619 PolarHBondContact N-OG 3.39Å; I564-S619 WeakPolarHBondContact O-CB 3.44Å; I564-S619 PolarHBondContact O-N 3.17Å; I564-S619 PolarHBondContact O-OG 2.91Å; S619-R621 PolarHBondContact O-N 3.49Å; S619-W622 WeakPolarHBondContact O-CB 3.42Å; S619-W622 PolarHBondContact O-N 3.46Å
620K85.8Confident84.2Confident115 Ų11536.9 Ų36.950%0.518%0.181SC..THydrogen-bonded Turntrans-62.2-30.6-175.4-61.5-166.2-163.3148.90113.6R557 I559 N560R557-K620 WeakPolarHBondContact O-CE 3.34Å; R557-K620 WeakPolarHBondContact O-CG 3.35Å; I559-K620 PolarHBondContact O-N 3.47Å; N560-K620 WeakPolarHBondContact OD1-CD 3.42Å; N560-K620 VanDerWaalsContact OD1-CE 3.3Å; N560-K620 WeakPolarHBondContact OD1-CE 3.16Å; N560-K620 PolarHBondContact OD1-NZ 2.85Å
621R85.3Confident84Confident90 Ų9037.2 Ų37.234%0.3419%0.188SC..THydrogen-bonded Turntrans-91.21.6178.4-73.2-170.8-167.1160.115.9114.2N560 D561 Y563 S619 S623 D624N560-R621 WeakPolarHBondContact O-CD 3.37Å; N560-R621 WeakPolarHBondContact O-CG 3.05Å; N560-R621 PolarHBondContact O-NE 3.47Å; N560-R621 VanDerWaalsContact O-NE 3.11Å; D561-R621 IonicContact OD1-CZ 3.66Å; D561-R621 VanDerWaalsContact OD1-CZ 3.29Å; D561-R621 IonicContact OD1-NH1 2.69Å; D561-R621 PolarHBondContact OD1-NH1 3.25Å; D561-R621 IonicContact OD1-NH2 3.59Å; D561-R621 PolarHBondContact OD1-NH2 2.92Å; Y563-R621 HydrophobicContact CD1-CB 4.37Å; Y563-R621 WeakPolarHBondContact CD1-O 3.48Å; Y563-R621 HydrophobicContact CE1-CB 4.08Å; Y563-R621 VanDerWaalsContact CE1-O 3.23Å; Y563-R621 WeakPolarHBondContact CE1-O 3.47Å; S619-R621 PolarHBondContact O-N 3.49Å; R621-S623 PolarHBondContact O-N 3.49Å; R621-D624 WeakPolarHBondContact CA-OD2 3.28Å; R621-D624 WeakPolarHBondContact CB-OD2 3.15Å; R621-D624 WeakPolarHBondContact CG-OD2 3.27Å; R621-D624 WeakPolarHBondContact O-CB 3.39Å; R621-D624 PolarHBondContact O-N 2.82Å
622W85.5Confident83.5Confident17 Ų1735.9 Ų35.96%0.06419%0.185CC..G310 helixtrans-47.6-41.5178.5-179.5-96.1000113.1R539 I541 A565 V618 S619 D624 Y625R539-W622 HydrophobicContact CB-CZ3 4.25Å; I541-W622 HydrophobicContact CD1-CH2 4.04Å; I541-W622 HydrophobicContact CG1-CH2 3.83Å; I541-W622 HydrophobicContact CG1-CZ3 4.42Å; A565-W622 HydrophobicContact CB-CD2 4.47Å; A565-W622 HydrophobicContact CB-CE3 3.99Å; A565-W622 HydrophobicContact CB-CH2 3.68Å; A565-W622 HydrophobicContact CB-CZ2 4.19Å; A565-W622 HydrophobicContact CB-CZ3 3.57Å; V618-W622 HydrophobicContact CB-CB 3.87Å; V618-W622 HydrophobicContact CB-CD2 4.34Å; V618-W622 HydrophobicContact CB-CG 3.87Å; V618-W622 HydrophobicContact CG1-CD2 4.19Å; V618-W622 HydrophobicContact CG1-CG 4.05Å; V618-W622 HydrophobicContact CG2-CB 4.3Å; V618-W622 HydrophobicContact CG2-CG 4.47Å; S619-W622 WeakPolarHBondContact O-CB 3.42Å; S619-W622 PolarHBondContact O-N 3.46Å; W622-D624 PolarHBondContact O-N 3.41Å; W622-Y625 VanDerWaalsContact O-CB 3.25Å; W622-Y625 WeakPolarHBondContact O-CB 3.38Å; W622-Y625 PolarHBondContact O-N 3.43Å
623S81.8Confident83.1Confident18 Ų1839.5 Ų39.513%0.12621%0.211CC..G310 helixtrans-68.8-16.5-178.274.20000115.5R621 R675R621-S623 PolarHBondContact O-N 3.49Å; S623-R675 WeakPolarHBondContact OG-CA 3.16Å; S623-R675 WeakPolarHBondContact OG-CG 3.24Å; S623-R675 PolarHBondContact OG-N 2.99Å
624D82.1Confident82.4Confident7 Ų736.8 Ų36.84%0.03720%0.2CC..G310 helixtrans-88.4-10.3178-49.7-52.3000112.9Y563 R621 W622 T626 R671 R675Y563-D624 HydrophobicContact CE1-CB 4.26Å; R621-D624 WeakPolarHBondContact CA-OD2 3.28Å; R621-D624 WeakPolarHBondContact CB-OD2 3.15Å; R621-D624 WeakPolarHBondContact CG-OD2 3.27Å; R621-D624 WeakPolarHBondContact O-CB 3.39Å; R621-D624 PolarHBondContact O-N 2.82Å; W622-D624 PolarHBondContact O-N 3.41Å; D624-T626 PolarHBondContact O-N 3.26Å; D624-R671 WeakPolarHBondContact OD1-CB 3.31Å; D624-R675 VanDerWaalsContact CG-NH2 3.33Å; D624-R675 IonicContact OD1-CZ 3.63Å; D624-R675 IonicContact OD1-NE 3.57Å; D624-R675 PolarHBondContact OD1-NE 3.19Å; D624-R675 IonicContact OD1-NH2 2.82Å; D624-R675 IonicContact OD2-CZ 3.17Å; D624-R675 IonicContact OD2-NE 3.26Å; D624-R675 PolarHBondContact OD2-NE 3.11Å; D624-R675 IonicContact OD2-NH2 2.75Å; D624-R675 PolarHBondContact OD2-NH2 3.26Å
625Y82.3Confident81.8Confident34 Ų3436.8 Ų36.813%0.13320%0.2CC..  trans-54.1127.4-178176.5-98.5000110.2D496 C537 R539 Y563 W622 L627D496-Y625 WeakPolarHBondContact CB-OH 3.44Å; D496-Y625 PolarHBondContact O-OH 2.94Å; C537-Y625 WeakPolarHBondContact O-CE2 3.35Å; R539-Y625 HydrophobicContact CB-CD2 3.95Å; R539-Y625 HydrophobicContact CB-CE2 3.7Å; R539-Y625 HydrophobicContact CG-CD2 4.36Å; R539-Y625 HydrophobicContact CG-CE1 4.4Å; R539-Y625 HydrophobicContact CG-CE2 3.8Å; Y563-Y625 HydrophobicContact CD1-CD2 4.29Å; Y563-Y625 AromaticContact CD2-CD2 3.87Å; Y563-Y625 HydrophobicContact CD2-CD2 3.87Å; Y563-Y625 HydrophobicContact CE2-CD2 4.36Å; Y563-Y625 AromaticContact CG-CD2 3.82Å; Y563-Y625 HydrophobicContact CG-CD2 3.82Å; Y563-Y625 HydrophobicContact CG-CG 4.49Å; W622-Y625 VanDerWaalsContact O-CB 3.25Å; W622-Y625 WeakPolarHBondContact O-CB 3.38Å; W622-Y625 PolarHBondContact O-N 3.43Å; Y625-L627 HydrophobicContact CE1-CD2 3.89Å; Y625-L627 HydrophobicContact CE1-CG 4.48Å
626T78.1Confident81.3Confident67 Ų6736.6 Ų36.641%0.41120%0.202SC..  trans-125.5138.8169.751.60000107.1C537 D624C537-T626 PolarHBondContact SG-O 3.19Å; D624-T626 PolarHBondContact O-N 3.26Å
627L80Confident80.7Confident41 Ų4141.2 Ų41.222%0.21522%0.222CC..PPolyproline II helixtrans-53.7146.9175-63.5173.6000110.4R350 D496 Y625 L629R350-L627 VanDerWaalsContact NH1-CB 3.32Å; R350-L627 VanDerWaalsContact NH2-CB 3.34Å; R350-L627 PolarHBondContact NH2-O 3.12Å; D496-L627 HydrophobicContact CB-CD2 3.85Å; Y625-L627 HydrophobicContact CE1-CD2 3.89Å; Y625-L627 HydrophobicContact CE1-CG 4.48Å; L627-L629 PolarHBondContact O-N 3.02Å
628H76.9Confident80.2Confident25 Ų2542.1 Ų42.112%0.11623%0.226CC..PPolyproline II helixtrans-55.4132.8-174.9-17663.7000110.5R350 D496 D634R350-H628 PolarHBondContact NH1-O 3.05Å; R350-H628 PolarHBondContact NH2-O 2.93Å; R350-H628 VanDerWaalsContact NH2-O 3.08Å; D496-H628 VanDerWaalsContact OD1-CB 3.31Å; D496-H628 WeakPolarHBondContact OD1-CB 3.43Å; D496-H628 PolarHBondContact OD1-N 2.81Å; H628-D634 IonicContact NE2-OD2 3.63Å; H628-D634 PolarHBondContact NE2-OD2 3.19Å
629L76.4Confident79.6Confident108 Ų10841.7 Ų41.757%0.56522%0.223SC*.PPolyproline II helixtrans-98.1143.3172.1-71.6171.1000108.2L354 L627 T631L354-L629 HydrophobicContact CD1-CD2 4.25Å; L627-L629 PolarHBondContact O-N 3.02Å; L629-T631 PolarHBondContact O-N 2.95Å
630P73.5Confident79Confident11 Ų1147 Ų477%0.07125%0.249CC..PPolyproline II helixtrans-59128.2-179.624.4-32.7000110.6L354 I355 D634 V635L354-P630 HydrophobicContact CB-CG 3.98Å; I355-P630 HydrophobicContact CD1-CB 4.18Å; I355-P630 HydrophobicContact CG1-CB 3.63Å; I355-P630 HydrophobicContact CG1-CG 4.04Å; P630-D634 HydrophobicContact CB-CB 4.49Å; P630-V635 HydrophobicContact CB-CG2 4.34Å
631T73.9Confident78.8Confident54 Ų5447.1 Ų47.133%0.33125%0.254SS..PPolyproline II helixtrans-82.1161.8173.361.80000110.4L629 S633 D634 V635L629-T631 PolarHBondContact O-N 2.95Å; T631-S633 PolarHBondContact O-N 3.25Å; T631-S633 VanDerWaalsContact O-N 3.16Å; T631-S633 PolarHBondContact OG1-OG 3.19Å; T631-D634 WeakPolarHBondContact CB-OD2 3.49Å; T631-D634 PolarHBondContact N-OD2 3.16Å; T631-D634 WeakPolarHBondContact O-CA 3.4Å; T631-D634 WeakPolarHBondContact O-CB 3.36Å; T631-D634 PolarHBondContact O-N 3Å; T631-D634 PolarHBondContact OG1-N 3.04Å; T631-D634 PolarHBondContact OG1-OD1 2.84Å; T631-D634 PolarHBondContact OG1-OD2 3.34Å; T631-V635 PolarHBondContact O-N 2.72Å
632G71.1Confident78.6Confident27 Ų2747.7 Ų47.728%0.27826%0.26SS..Hα-helixtrans-60.3-26.8177.300000113.9A636 N655G632-A636 WeakPolarHBondContact O-CB 3.37Å; G632-A636 PolarHBondContact O-N 2.85Å; G632-N655 WeakPolarHBondContact CA-OD1 3.28Å; G632-N655 PolarHBondContact O-ND2 3.42Å; G632-N655 PolarHBondContact O-OD1 3.09Å
633S74.7Confident78.3Confident81 Ų8147.5 Ų47.557%0.56626%0.26SS*.Hα-helixtrans-71.3-36.8170.144.80000113T631 A636 K637T631-S633 PolarHBondContact O-N 3.25Å; T631-S633 VanDerWaalsContact O-N 3.16Å; T631-S633 PolarHBondContact OG1-OG 3.19Å; S633-A636 PolarHBondContact O-N 3.36Å; S633-K637 WeakPolarHBondContact O-CB 3.44Å; S633-K637 PolarHBondContact O-N 2.88Å
634D74.8Confident78.2Confident27 Ų2749.9 Ų49.914%0.14428%0.275CS..Hα-helixtrans-66-43.1176.3-60.6-35.7000110.2H628 P630 T631 K637 H638H628-D634 IonicContact NE2-OD2 3.63Å; H628-D634 PolarHBondContact NE2-OD2 3.19Å; P630-D634 HydrophobicContact CB-CB 4.49Å; T631-D634 WeakPolarHBondContact CB-OD2 3.49Å; T631-D634 PolarHBondContact N-OD2 3.16Å; T631-D634 WeakPolarHBondContact O-CA 3.4Å; T631-D634 WeakPolarHBondContact O-CB 3.36Å; T631-D634 PolarHBondContact O-N 3Å; T631-D634 PolarHBondContact OG1-N 3.04Å; T631-D634 PolarHBondContact OG1-OD1 2.84Å; T631-D634 PolarHBondContact OG1-OD2 3.34Å; D634-K637 PolarHBondContact O-N 3.05Å; D634-H638 VanDerWaalsContact O-CB 3.28Å; D634-H638 WeakPolarHBondContact O-CB 3.49Å; D634-H638 PolarHBondContact O-N 3.33Å
635V76.8Confident78.1Confident1 Ų159.4 Ų59.41%0.00631%0.311CS..Hα-helixtrans-59.9-49.2174.4177.40000110.4I355 P630 T631 K637 H638 W639I355-V635 HydrophobicContact CG1-CG2 4.41Å; P630-V635 HydrophobicContact CB-CG2 4.34Å; T631-V635 PolarHBondContact O-N 2.72Å; V635-K637 PolarHBondContact O-N 3.31Å; V635-H638 PolarHBondContact O-N 2.99Å; V635-W639 HydrophobicContact CG1-CE3 4.37Å; V635-W639 VanDerWaalsContact O-CB 3.26Å; V635-W639 WeakPolarHBondContact O-CB 3.4Å; V635-W639 PolarHBondContact O-N 3.4Å
636A79.9Confident77.6Confident26 Ų2664.3 Ų64.322%0.21534%0.338CS..Hα-helixtrans-60.4-45.3178.900000112.4G632 S633 W639 M640 V651G632-A636 WeakPolarHBondContact O-CB 3.37Å; G632-A636 PolarHBondContact O-N 2.85Å; S633-A636 PolarHBondContact O-N 3.36Å; A636-W639 WeakPolarHBondContact O-CB 2.93Å; A636-W639 PolarHBondContact O-N 2.67Å; A636-M640 VanDerWaalsContact O-CG 3.28Å; A636-M640 WeakPolarHBondContact O-CG 3.17Å; A636-M640 PolarHBondContact O-N 3.03Å; A636-V651 HydrophobicContact CB-CG1 3.7Å
637K81.4Confident77.6Confident99 Ų9961.4 Ų61.443%0.4332%0.32SS..Hα-helixtrans-64.4-46.2178.2-175.3-178.8177.5-1760111.6S633 D634 V635 W639 M640 L641S633-K637 WeakPolarHBondContact O-CB 3.44Å; S633-K637 PolarHBondContact O-N 2.88Å; D634-K637 PolarHBondContact O-N 3.05Å; V635-K637 PolarHBondContact O-N 3.31Å; K637-W639 PolarHBondContact O-N 2.93Å; K637-M640 PolarHBondContact O-N 3Å; K637-L641 HydrophobicContact CG-CD1 4.03Å; K637-L641 WeakPolarHBondContact O-CG 3.31Å; K637-L641 PolarHBondContact O-N 3.5Å; K637-L641 VanDerWaalsContact O-N 3.16Å
638H79.5Confident77.6Confident19 Ų1962.6 Ų62.69%0.08832%0.322CS..Hα-helixtrans-57-43175.5-178.577.7000110.5F352 I355 D634 V635 L641 H642F352-H638 AromaticContact CD2-CE1 3.85Å; F352-H638 AromaticContact CE2-CE1 3.91Å; I355-H638 HydrophobicContact CD1-CB 3.95Å; I355-H638 HydrophobicContact CG2-CB 4.45Å; D634-H638 VanDerWaalsContact O-CB 3.28Å; D634-H638 WeakPolarHBondContact O-CB 3.49Å; D634-H638 PolarHBondContact O-N 3.33Å; V635-H638 PolarHBondContact O-N 2.99Å; H638-L641 PolarHBondContact O-N 2.93Å; H638-H642 AromaticContact CE1-CE1 3.57Å; H638-H642 AromaticContact CE1-CG 3.98Å; H638-H642 AromaticContact CE1-ND1 3.48Å; H638-H642 PolarHBondContact CE1-ND1 2.98Å; H638-H642 AromaticContact CG-ND1 3.96Å; H638-H642 AromaticContact ND1-CE1 3.52Å; H638-H642 AromaticContact ND1-ND1 3.47Å; H638-H642 PolarHBondContact ND1-ND1 2.85Å; H638-H642 AromaticContact NE2-ND1 3.98Å; H638-H642 PolarHBondContact O-N 3.15Å; H638-H642 PolarHBondContact O-ND1 3.34Å
639W79.4Confident77.6Confident6 Ų665.9 Ų65.92%0.02335%0.345CS..Hα-helixtrans-63.7-46.5-179.4-159-61.2000112.6I311 L359 V635 A636 K637 L641 H642 F643 T647 Y648 L650 V651 A654I311-W639 HydrophobicContact CD1-CH2 4.17Å; I311-W639 HydrophobicContact CD1-CZ2 3.54Å; L359-W639 HydrophobicContact CD2-CE3 3.52Å; L359-W639 HydrophobicContact CD2-CH2 3.6Å; L359-W639 HydrophobicContact CD2-CZ3 2.97Å; L359-W639 HydrophobicContact CG-CZ3 4.44Å; V635-W639 HydrophobicContact CG1-CE3 4.37Å; V635-W639 VanDerWaalsContact O-CB 3.26Å; V635-W639 WeakPolarHBondContact O-CB 3.4Å; V635-W639 PolarHBondContact O-N 3.4Å; A636-W639 WeakPolarHBondContact O-CB 2.93Å; A636-W639 PolarHBondContact O-N 2.67Å; K637-W639 PolarHBondContact O-N 2.93Å; W639-L641 PolarHBondContact O-N 2.86Å; W639-H642 PolarHBondContact O-N 2.86Å; W639-F643 HydrophobicContact CB-CD2 4.25Å; W639-F643 AromaticContact CD1-CD2 3.68Å; W639-F643 HydrophobicContact CD2-CD2 4Å; W639-F643 HydrophobicContact CD2-CE2 4.47Å; W639-F643 AromaticContact CG-CD2 3.72Å; W639-F643 HydrophobicContact CG-CD2 3.72Å; W639-F643 HydrophobicContact CG-CE2 4.45Å; W639-F643 AromaticContact NE1-CD2 3.87Å; W639-F643 WeakPolarHBondContact O-CB 3.27Å; W639-F643 PolarHBondContact O-N 2.84Å; W639-T647 PolarHBondContact NE1-O 2.85Å; W639-T647 PolarHBondContact NE1-OG1 3.06Å; W639-Y648 AromaticContact CD1-CD1 3.85Å; W639-L650 HydrophobicContact CH2-CB 3.7Å; W639-L650 HydrophobicContact CZ2-CB 3.68Å; W639-L650 HydrophobicContact CZ2-CD1 4.26Å; W639-V651 HydrophobicContact CB-CG2 3.81Å; W639-V651 HydrophobicContact CD2-CG2 3.4Å; W639-V651 HydrophobicContact CE3-CG2 3.74Å; W639-V651 HydrophobicContact CG-CG2 3.39Å; W639-V651 HydrophobicContact CZ3-CG2 4.42Å; W639-A654 HydrophobicContact CZ3-CB 4.31Å
640M80.4Confident77.5Confident114 Ų11462 Ų6256%0.56233%0.325SS*.Hα-helixtrans-65.3-26.3179.5-69.917869.800113.7A636 K637 Y648A636-M640 VanDerWaalsContact O-CG 3.28Å; A636-M640 WeakPolarHBondContact O-CG 3.17Å; A636-M640 PolarHBondContact O-N 3.03Å; K637-M640 PolarHBondContact O-N 3Å; M640-Y648 WeakPolarHBondContact CA-OH 3.45Å; M640-Y648 HydrophobicContact CB-CE1 4.47Å; M640-Y648 HydrophobicContact CE-CE2 4.29Å; M640-Y648 HydrophobicContact CG-CE1 4.16Å; M640-Y648 HydrophobicContact CG-CE2 3.93Å; M640-Y648 PolarHBondContact O-OH 3.36Å
641L81.8Confident77.6Confident118 Ų11862 Ų6262%0.61833%0.325SS*.Hα-helixtrans-82.9-33.1179.6-73.7167000113K637 H638 W639K637-L641 HydrophobicContact CG-CD1 4.03Å; K637-L641 WeakPolarHBondContact O-CG 3.31Å; K637-L641 PolarHBondContact O-N 3.5Å; K637-L641 VanDerWaalsContact O-N 3.16Å; H638-L641 PolarHBondContact O-N 2.93Å; W639-L641 PolarHBondContact O-N 2.86Å
642H79.6Confident77.6Confident101 Ų10166.4 Ų66.447%0.46834%0.341SS..Hα-helixtrans-109.4-19.3-168.8-6384.8000114.3H638 W639H638-H642 AromaticContact CE1-CE1 3.57Å; H638-H642 AromaticContact CE1-CG 3.98Å; H638-H642 AromaticContact CE1-ND1 3.48Å; H638-H642 PolarHBondContact CE1-ND1 2.98Å; H638-H642 AromaticContact CG-ND1 3.96Å; H638-H642 AromaticContact ND1-CE1 3.52Å; H638-H642 AromaticContact ND1-ND1 3.47Å; H638-H642 PolarHBondContact ND1-ND1 2.85Å; H638-H642 AromaticContact NE2-ND1 3.98Å; H638-H642 PolarHBondContact O-N 3.15Å; H638-H642 PolarHBondContact O-ND1 3.34Å; W639-H642 PolarHBondContact O-N 2.86Å
643F79.8Confident77.4Confident13 Ų1369.2 Ų69.26%0.05735%0.35CS..SBendtrans-121152-174-55.4-65.3000113I311 L314 L359 W639 T647I311-F643 HydrophobicContact CB-CD1 4.49Å; I311-F643 HydrophobicContact CB-CE1 4.3Å; I311-F643 HydrophobicContact CG1-CD1 4.22Å; I311-F643 HydrophobicContact CG2-CD1 4.24Å; I311-F643 HydrophobicContact CG2-CE1 3.74Å; I311-F643 HydrophobicContact CG2-CE2 4.32Å; I311-F643 HydrophobicContact CG2-CZ 3.8Å; L314-F643 HydrophobicContact CB-CD1 4.24Å; L314-F643 HydrophobicContact CB-CE1 3.84Å; L314-F643 HydrophobicContact CD1-CD1 3.87Å; L314-F643 HydrophobicContact CD1-CE1 4.33Å; L359-F643 HydrophobicContact CD1-CE2 3.73Å; L359-F643 HydrophobicContact CD1-CZ 3.74Å; W639-F643 HydrophobicContact CB-CD2 4.25Å; W639-F643 AromaticContact CD1-CD2 3.68Å; W639-F643 HydrophobicContact CD2-CD2 4Å; W639-F643 HydrophobicContact CD2-CE2 4.47Å; W639-F643 AromaticContact CG-CD2 3.72Å; W639-F643 HydrophobicContact CG-CD2 3.72Å; W639-F643 HydrophobicContact CG-CE2 4.45Å; W639-F643 AromaticContact NE1-CD2 3.87Å; W639-F643 WeakPolarHBondContact O-CB 3.27Å; W639-F643 PolarHBondContact O-N 2.84Å; F643-T647 WeakPolarHBondContact CB-OG1 3.36Å
644P80.3Confident77.1Confident69 Ų6965.5 Ų65.545%0.44832%0.324SS..  trans-68.4151.6178.326.3-32.5000112.2I646 T647P644-I646 PolarHBondContact O-N 3.48Å; P644-T647 HydrophobicContact CG-CG2 4.18Å; P644-T647 PolarHBondContact O-N 2.99Å; P644-T647 PolarHBondContact O-OG1 3.47Å
645R78.7Confident76.9Confident207 Ų20766.5 Ų66.578%0.78133%0.329SS*.G310 helixtrans-54-29.4-173.6-65.4-177.4-178.9179.6-0115.3T647 Y648R645-T647 PolarHBondContact O-N 2.78Å; R645-T647 VanDerWaalsContact O-N 3.12Å; R645-Y648 HydrophobicContact CB-CE2 4.3Å; R645-Y648 HydrophobicContact CG-CE2 3.99Å; R645-Y648 WeakPolarHBondContact O-CB 3.37Å; R645-Y648 PolarHBondContact O-N 3.44Å
646I73.5Confident76.3Confident137 Ų13775.6 Ų75.670%0.70336%0.364SS*.G310 helixtrans-59.1-25.2179.5-62.4168.8000111.7P644P644-I646 PolarHBondContact O-N 3.48Å
647T78.1Confident75.1Confident6 Ų677.8 Ų77.84%0.03737%0.371CS..G310 helixtrans-88-7.4-175.965.10000114.3I307 I311 W639 F643 P644 R645 P649 L650I307-T647 HydrophobicContact CG2-CG2 3.87Å; I311-T647 HydrophobicContact CD1-CG2 3.96Å; I311-T647 HydrophobicContact CG1-CG2 4.09Å; W639-T647 PolarHBondContact NE1-O 2.85Å; W639-T647 PolarHBondContact NE1-OG1 3.06Å; F643-T647 WeakPolarHBondContact CB-OG1 3.36Å; P644-T647 HydrophobicContact CG-CG2 4.18Å; P644-T647 PolarHBondContact O-N 2.99Å; P644-T647 PolarHBondContact O-OG1 3.47Å; R645-T647 PolarHBondContact O-N 2.78Å; R645-T647 VanDerWaalsContact O-N 3.12Å; T647-P649 VanDerWaalsContact C-CD 3.41Å; T647-L650 WeakPolarHBondContact O-CB 3.33Å; T647-L650 PolarHBondContact O-N 3.03Å
648Y79.6Confident73.6Confident66 Ų6676.1 Ų76.126%0.25937%0.372SS..THydrogen-bonded Turntrans-61.9-33-172.5-70.25.8000115.4W639 M640 R645 L650 V651W639-Y648 AromaticContact CD1-CD1 3.85Å; M640-Y648 WeakPolarHBondContact CA-OH 3.45Å; M640-Y648 HydrophobicContact CB-CE1 4.47Å; M640-Y648 HydrophobicContact CE-CE2 4.29Å; M640-Y648 HydrophobicContact CG-CE1 4.16Å; M640-Y648 HydrophobicContact CG-CE2 3.93Å; M640-Y648 PolarHBondContact O-OH 3.36Å; R645-Y648 HydrophobicContact CB-CE2 4.3Å; R645-Y648 HydrophobicContact CG-CE2 3.99Å; R645-Y648 WeakPolarHBondContact O-CB 3.37Å; R645-Y648 PolarHBondContact O-N 3.44Å; Y648-L650 PolarHBondContact O-N 3.12Å; Y648-L650 VanDerWaalsContact O-N 3.13Å; Y648-V651 VanDerWaalsContact O-CB 3.28Å; Y648-V651 WeakPolarHBondContact O-CB 3.4Å; Y648-V651 VanDerWaalsContact O-CG2 3.3Å; Y648-V651 WeakPolarHBondContact O-CG2 3.2Å; Y648-V651 PolarHBondContact O-N 2.86Å; Y648-V651 VanDerWaalsContact O-N 3.08Å
649P77.3Confident72.4Confident93 Ų9378.3 Ų78.360%0.60440%0.399SS*.THydrogen-bonded Turntrans-57.9-27176-27.136.5000113.9T647 V651 H652T647-P649 VanDerWaalsContact C-CD 3.41Å; P649-V651 VanDerWaalsContact C-N 3.26Å; P649-V651 PolarHBondContact O-N 3.35Å; P649-H652 PolarHBondContact O-N 3.48Å
650L73.3Confident70.9Confident26 Ų2683.3 Ų83.314%0.13643%0.426CS..Hα-helixtrans-70.5-20.4179.5-63.8173.4000113.4F304 I307 I311 W639 T647 Y648 H652 L653 A654F304-L650 HydrophobicContact CD2-CD2 4.17Å; F304-L650 HydrophobicContact CE2-CD2 3.54Å; I307-L650 HydrophobicContact CG2-CD1 3.46Å; I307-L650 VanDerWaalsContact CG2-CD1 3.46Å; I311-L650 HydrophobicContact CD1-CD1 3.88Å; W639-L650 HydrophobicContact CH2-CB 3.7Å; W639-L650 HydrophobicContact CZ2-CB 3.68Å; W639-L650 HydrophobicContact CZ2-CD1 4.26Å; T647-L650 WeakPolarHBondContact O-CB 3.33Å; T647-L650 PolarHBondContact O-N 3.03Å; Y648-L650 PolarHBondContact O-N 3.12Å; Y648-L650 VanDerWaalsContact O-N 3.13Å; L650-H652 PolarHBondContact O-N 3.46Å; L650-L653 WeakPolarHBondContact O-CB 3.36Å; L650-L653 PolarHBondContact O-N 2.91Å; L650-L653 VanDerWaalsContact O-N 3.15Å; L650-A654 PolarHBondContact O-N 3.48Å
651V76.1Confident69.4Low12 Ų1282 Ų827%0.07342%0.421CS..Hα-helixtrans-59.6-37.6177.3177.40000111.1A636 W639 Y648 P649 L653 A654 N655A636-V651 HydrophobicContact CB-CG1 3.7Å; W639-V651 HydrophobicContact CB-CG2 3.81Å; W639-V651 HydrophobicContact CD2-CG2 3.4Å; W639-V651 HydrophobicContact CE3-CG2 3.74Å; W639-V651 HydrophobicContact CG-CG2 3.39Å; W639-V651 HydrophobicContact CZ3-CG2 4.42Å; Y648-V651 VanDerWaalsContact O-CB 3.28Å; Y648-V651 WeakPolarHBondContact O-CB 3.4Å; Y648-V651 VanDerWaalsContact O-CG2 3.3Å; Y648-V651 WeakPolarHBondContact O-CG2 3.2Å; Y648-V651 PolarHBondContact O-N 2.86Å; Y648-V651 VanDerWaalsContact O-N 3.08Å; P649-V651 VanDerWaalsContact C-N 3.26Å; P649-V651 PolarHBondContact O-N 3.35Å; V651-L653 VanDerWaalsContact C-N 3.34Å; V651-L653 PolarHBondContact O-N 3.08Å; V651-A654 PolarHBondContact O-N 2.88Å; V651-N655 WeakPolarHBondContact O-CB 3.43Å; V651-N655 PolarHBondContact O-N 3.25Å
652H73.3Confident67.6Low146 Ų14683.3 Ų83.368%0.67643%0.428SS*.Hα-helixtrans-66.9-37.2179-69-66.3000112.2P649 L650 N655 W656P649-H652 PolarHBondContact O-N 3.48Å; L650-H652 PolarHBondContact O-N 3.46Å; H652-N655 PolarHBondContact O-N 2.97Å; H652-W656 PolarHBondContact O-N 3.38Å; H652-W656 VanDerWaalsContact O-N 3.12Å
653L67.9Low65.8Low86 Ų8685.5 Ų85.545%0.4544%0.436SS..Hα-helixtrans-67.3-42.8176-117.8121.6000111.5F362 L650 V651 N655 W656 L657F362-L653 HydrophobicContact CE1-CB 4.44Å; F362-L653 HydrophobicContact CE1-CD2 3.86Å; F362-L653 HydrophobicContact CZ-CB 4.31Å; F362-L653 HydrophobicContact CZ-CD2 4.47Å; L650-L653 WeakPolarHBondContact O-CB 3.36Å; L650-L653 PolarHBondContact O-N 2.91Å; L650-L653 VanDerWaalsContact O-N 3.15Å; V651-L653 VanDerWaalsContact C-N 3.34Å; V651-L653 PolarHBondContact O-N 3.08Å; L653-N655 PolarHBondContact O-N 2.7Å; L653-W656 PolarHBondContact O-N 2.76Å; L653-L657 PolarHBondContact O-N 3.08Å
654A66.9Low64.5Low3 Ų392.4 Ų92.43%0.02546%0.462CS..Hα-helixtrans-60.7-43.7175.400000112.1F362 W639 L650 V651 W656 C658F362-A654 HydrophobicContact CE2-CB 3.69Å; F362-A654 HydrophobicContact CZ-CB 4.2Å; W639-A654 HydrophobicContact CZ3-CB 4.31Å; L650-A654 PolarHBondContact O-N 3.48Å; V651-A654 PolarHBondContact O-N 2.88Å; A654-W656 PolarHBondContact O-N 3.33Å; A654-C658 PolarHBondContact O-N 3.06Å
655N70.7Confident63.3Low48 Ų4895.7 Ų95.726%0.25747%0.474SS..Hα-helixtrans-67.8-32.5179.7-76-14.3000113.3G632 V651 H652 L653 C658G632-N655 WeakPolarHBondContact CA-OD1 3.28Å; G632-N655 PolarHBondContact O-ND2 3.42Å; G632-N655 PolarHBondContact O-OD1 3.09Å; V651-N655 WeakPolarHBondContact O-CB 3.43Å; V651-N655 PolarHBondContact O-N 3.25Å; H652-N655 PolarHBondContact O-N 2.97Å; L653-N655 PolarHBondContact O-N 2.7Å; N655-C658 WeakPolarHBondContact O-CB 3.4Å; N655-C658 PolarHBondContact O-N 2.83Å
656W65Low62.3Low192 Ų19290.3 Ų90.373%0.72747%0.468SS*.Hα-helixtrans-67.7-44.1179.6-178.859.2000112.7H652 L653 A654 C658 G659H652-W656 PolarHBondContact O-N 3.38Å; H652-W656 VanDerWaalsContact O-N 3.12Å; L653-W656 PolarHBondContact O-N 2.76Å; A654-W656 PolarHBondContact O-N 3.33Å; W656-C658 PolarHBondContact O-N 3.28Å; W656-G659 PolarHBondContact O-N 2.98Å
657L55.3Low61.9Low72 Ų7288.5 Ų88.538%0.37746%0.455SS..Hα-helixtrans-64.7-28.5178-80.1156.4000112.8F362 L653 G659 L660F362-L657 HydrophobicContact CE1-CD1 3.65Å; F362-L657 HydrophobicContact CZ-CD1 3.5Å; L653-L657 PolarHBondContact O-N 3.08Å; L657-G659 PolarHBondContact O-N 3.1Å; L657-L660 HydrophobicContact CD2-CD1 4.36Å; L657-L660 PolarHBondContact O-N 2.93Å
658C50.1Low61.5Low65 Ų6591.3 Ų91.344%0.43947%0.472SS..THydrogen-bonded Turntrans-63.6-22.5178.2-164.60000113.5A654 N655 W656 L660A654-C658 PolarHBondContact O-N 3.06Å; N655-C658 WeakPolarHBondContact O-CB 3.4Å; N655-C658 PolarHBondContact O-N 2.83Å; W656-C658 PolarHBondContact O-N 3.28Å; C658-L660 VanDerWaalsContact C-N 3.33Å; C658-L660 PolarHBondContact O-N 3.45Å
659G52.8Low61Low64 Ų6492.1 Ų92.166%0.6649%0.486SS*.THydrogen-bonded Turntrans-76.3-11.5-17900000115.6W656 L657 N661W656-G659 PolarHBondContact O-N 2.98Å; L657-G659 PolarHBondContact O-N 3.1Å; G659-N661 PolarHBondContact O-N 3.43Å; G659-N661 VanDerWaalsContact O-N 3.13Å
660L48.3Very low60.8Low111 Ų11193.4 Ų93.458%0.58148%0.482SS*.  trans-86.983.8-170-66.2171.2000112.4L657 C658 L662L657-L660 HydrophobicContact CD2-CD1 4.36Å; L657-L660 PolarHBondContact O-N 2.93Å; C658-L660 VanDerWaalsContact C-N 3.33Å; C658-L660 PolarHBondContact O-N 3.45Å; L660-L662 HydrophobicContact CB-CD1 4.28Å; L660-L662 PolarHBondContact O-N 2.86Å
661N49Very low61Low88 Ų8896.5 Ų96.547%0.47149%0.492SS..  trans-91.775.5177.5-160.15.2000111.8G659 F663 K667G659-N661 PolarHBondContact O-N 3.43Å; G659-N661 VanDerWaalsContact O-N 3.13Å; N661-F663 PolarHBondContact O-N 2.99Å; N661-F663 VanDerWaalsContact O-N 3.09Å; N661-K667 PolarHBondContact OD1-NZ 3.24Å; N661-K667 VanDerWaalsContact OD1-NZ 3.09Å
662L43.4Very low61Low145 Ų14599 Ų9976%0.75951%0.51SS*.THydrogen-bonded Turntrans-61.1-17-174.4-96.195.5000116.1L660L660-L662 HydrophobicContact CB-CD1 4.28Å; L660-L662 PolarHBondContact O-N 2.86Å
663F42.2Very low61.2Low147 Ų14797.3 Ų97.365%0.64551%0.505SS*.THydrogen-bonded Turntrans-121.734.1-172.4-65.6-73.8000114.4N661 I665N661-F663 PolarHBondContact O-N 2.99Å; N661-F663 VanDerWaalsContact O-N 3.09Å; F663-I665 PolarHBondContact O-N 3.22Å
664W51.8Low61.7Low157 Ų15797.9 Ų97.960%0.59550%0.504SS*.Hα-helixtrans-63.3-39.5-173.7-174.968.5000114C666 K667 T668W664-C666 PolarHBondContact O-N 2.58Å; W664-K667 PolarHBondContact O-N 3.26Å; W664-T668 PolarHBondContact O-N 3.22Å; W664-T668 PolarHBondContact O-OG1 2.95Å
665I56.2Low62.4Low138 Ų138102.4 Ų102.471%0.70852%0.52SS*.Hα-helixtrans-64.7-45.4-174.7-61.9169.6000111.8F663 K667 T668 C669F663-I665 PolarHBondContact O-N 3.22Å; I665-K667 VanDerWaalsContact C-N 3.29Å; I665-K667 PolarHBondContact O-N 3.2Å; I665-T668 PolarHBondContact O-N 3.37Å; I665-C669 PolarHBondContact O-N 3.5Å
666C58.3Low62.7Low95 Ų95103.8 Ų103.864%0.64253%0.528SS*.Hα-helixtrans-63.4-34.1177.7-68.50000112.6W664 F670W664-C666 PolarHBondContact O-N 2.58Å; C666-F670 PolarHBondContact O-N 3.15Å
667K65.1Low63.4Low98 Ų98101.8 Ų101.843%0.42652%0.524SS..Hα-helixtrans-66.8-38.5177.3-71.2176.1-178.6172.10111.6N661 W664 I665 R671N661-K667 PolarHBondContact OD1-NZ 3.24Å; N661-K667 VanDerWaalsContact OD1-NZ 3.09Å; W664-K667 PolarHBondContact O-N 3.26Å; I665-K667 VanDerWaalsContact C-N 3.29Å; I665-K667 PolarHBondContact O-N 3.2Å; K667-R671 WeakPolarHBondContact O-CG 3.3Å; K667-R671 PolarHBondContact O-N 2.87Å
668T69.1Low64.6Low65 Ų65100.3 Ų100.340%0.39952%0.516SS..Hα-helixtrans-68-45.3-178.4-56.10000112.2W664 I665 F670 R671 C672W664-T668 PolarHBondContact O-N 3.22Å; W664-T668 PolarHBondContact O-OG1 2.95Å; I665-T668 PolarHBondContact O-N 3.37Å; T668-F670 VanDerWaalsContact C-N 3.31Å; T668-F670 PolarHBondContact O-N 2.85Å; T668-R671 PolarHBondContact O-N 3.16Å; T668-C672 PolarHBondContact O-N 3.32Å; T668-C672 VanDerWaalsContact O-N 3.16Å
669C69.9Low65.9Low83 Ų83101.9 Ų101.956%0.56153%0.527SS*.Hα-helixtrans-61.2-41.1177-1710000111.8I665 C672 L673I665-C669 PolarHBondContact O-N 3.5Å; C669-C672 PolarHBondContact O-N 3.03Å; C669-L673 PolarHBondContact O-N 3.3Å
670F72.6Confident66.9Low120 Ų120107.9 Ų107.953%0.52653%0.53SS..Hα-helixtrans-66.8-38.6178.5-175.8-105.6000113.2C666 T668 C672 L673 K674C666-F670 PolarHBondContact O-N 3.15Å; T668-F670 VanDerWaalsContact C-N 3.31Å; T668-F670 PolarHBondContact O-N 2.85Å; F670-C672 VanDerWaalsContact C-N 3.33Å; F670-C672 PolarHBondContact O-N 3.37Å; F670-L673 PolarHBondContact O-N 3.49Å; F670-K674 HydrophobicContact CD1-CD 4.34Å; F670-K674 HydrophobicContact CE1-CD 3.75Å; F670-K674 HydrophobicContact CE1-CG 4.18Å; F670-K674 HydrophobicContact CZ-CD 4.28Å; F670-K674 HydrophobicContact CZ-CG 4.35Å; F670-K674 PolarHBondContact O-N 3.37Å
671R77.5Confident68.3Low91 Ų91109.8 Ų109.834%0.34353%0.534SS..Hα-helixtrans-60.5-42.7174.2-78.3174.2-179.8175.8-3.6111.6D624 K667 T668 L673 K674 R675D624-R671 WeakPolarHBondContact OD1-CB 3.31Å; K667-R671 WeakPolarHBondContact O-CG 3.3Å; K667-R671 PolarHBondContact O-N 2.87Å; T668-R671 PolarHBondContact O-N 3.16Å; R671-L673 PolarHBondContact O-N 3.48Å; R671-K674 PolarHBondContact O-N 3.47Å; R671-R675 WeakPolarHBondContact O-CG 3.35Å; R671-R675 PolarHBondContact O-N 3.08Å
672C76.6Confident69.8Low66 Ų66107.7 Ų107.745%0.44652%0.523SS..Hα-helixtrans-59-46.6176.4-170.10000112.2T668 C669 F670 K674 R675 L676T668-C672 PolarHBondContact O-N 3.32Å; T668-C672 VanDerWaalsContact O-N 3.16Å; C669-C672 PolarHBondContact O-N 3.03Å; F670-C672 VanDerWaalsContact C-N 3.33Å; F670-C672 PolarHBondContact O-N 3.37Å; C672-K674 PolarHBondContact O-N 3.49Å; C672-R675 PolarHBondContact O-N 2.53Å; C672-L676 WeakPolarHBondContact O-CG 3.45Å; C672-L676 PolarHBondContact O-N 2.73Å
673L76.6Confident71.7Confident109 Ų109102.9 Ų102.957%0.57150%0.5SS*.Hα-helixtrans-61.6-41.3176.2-71168000112.6C669 F670 R671 L676 K677C669-L673 PolarHBondContact O-N 3.3Å; F670-L673 PolarHBondContact O-N 3.49Å; R671-L673 PolarHBondContact O-N 3.48Å; L673-L676 PolarHBondContact O-N 2.62Å; L673-K677 WeakPolarHBondContact O-CB 3.4Å; L673-K677 PolarHBondContact O-N 3.38Å
674K78.9Confident73.7Confident98 Ų9899 Ų9943%0.42649%0.488SS..Hα-helixtrans-61.4-42.9175.3-98.9-173.4168.7-171.30112.4F670 R671 C672 K677 M678F670-K674 HydrophobicContact CD1-CD 4.34Å; F670-K674 HydrophobicContact CE1-CD 3.75Å; F670-K674 HydrophobicContact CE1-CG 4.18Å; F670-K674 HydrophobicContact CZ-CD 4.28Å; F670-K674 HydrophobicContact CZ-CG 4.35Å; F670-K674 PolarHBondContact O-N 3.37Å; R671-K674 PolarHBondContact O-N 3.47Å; C672-K674 PolarHBondContact O-N 3.49Å; K674-K677 PolarHBondContact O-N 3.33Å; K674-M678 PolarHBondContact O-N 2.78Å
675R80.8Confident75.3Confident98 Ų9894 Ų9437%0.3748%0.475SS..Hα-helixtrans-61.9-47.9177.2-69.9170.5-174.2-175.2-5111.6S623 D624 R671 C672 K677 M678 S679S623-R675 WeakPolarHBondContact OG-CA 3.16Å; S623-R675 WeakPolarHBondContact OG-CG 3.24Å; S623-R675 PolarHBondContact OG-N 2.99Å; D624-R675 VanDerWaalsContact CG-NH2 3.33Å; D624-R675 IonicContact OD1-CZ 3.63Å; D624-R675 IonicContact OD1-NE 3.57Å; D624-R675 PolarHBondContact OD1-NE 3.19Å; D624-R675 IonicContact OD1-NH2 2.82Å; D624-R675 IonicContact OD2-CZ 3.17Å; D624-R675 IonicContact OD2-NE 3.26Å; D624-R675 PolarHBondContact OD2-NE 3.11Å; D624-R675 IonicContact OD2-NH2 2.75Å; D624-R675 PolarHBondContact OD2-NH2 3.26Å; R671-R675 WeakPolarHBondContact O-CG 3.35Å; R671-R675 PolarHBondContact O-N 3.08Å; C672-R675 PolarHBondContact O-N 2.53Å; R675-K677 VanDerWaalsContact C-N 3.34Å; R675-K677 PolarHBondContact O-N 3.06Å; R675-M678 PolarHBondContact O-N 3.26Å; R675-S679 WeakPolarHBondContact O-CB 3.21Å; R675-S679 PolarHBondContact O-N 2.99Å
676L77.8Confident76.7Confident78 Ų7888.3 Ų88.341%0.40845%0.446SS..Hα-helixtrans-59.5-46178-72.4169.2000111.1C672 L673 M678 S679 W680C672-L676 WeakPolarHBondContact O-CG 3.45Å; C672-L676 PolarHBondContact O-N 2.73Å; L673-L676 PolarHBondContact O-N 2.62Å; L676-M678 PolarHBondContact O-N 3.05Å; L676-S679 PolarHBondContact O-N 3.08Å; L676-W680 WeakPolarHBondContact O-CB 3.05Å; L676-W680 PolarHBondContact O-N 3.5Å
677K80.3Confident78Confident149 Ų14988.5 Ų88.565%0.64844%0.441SS*.Hα-helixtrans-58.1-48.5176.6-175.4-179.6177.7179.80112.4L673 K674 R675 S679 W680 F681L673-K677 WeakPolarHBondContact O-CB 3.4Å; L673-K677 PolarHBondContact O-N 3.38Å; K674-K677 PolarHBondContact O-N 3.33Å; R675-K677 VanDerWaalsContact C-N 3.34Å; R675-K677 PolarHBondContact O-N 3.06Å; K677-S679 VanDerWaalsContact C-N 3.34Å; K677-S679 PolarHBondContact O-N 2.68Å; K677-W680 PolarHBondContact O-N 2.95Å; K677-F681 PolarHBondContact O-N 3.42Å
678M79.6Confident78.8Confident42 Ų4284.1 Ų84.121%0.20742%0.422CS..Hα-helixtrans-68.4-31.9-179.3-76.8-63.3-64.500113.1V618 K674 R675 L676 L682 P683 L686V618-M678 HydrophobicContact CG2-CE 4.49Å; K674-M678 PolarHBondContact O-N 2.78Å; R675-M678 PolarHBondContact O-N 3.26Å; L676-M678 PolarHBondContact O-N 3.05Å; M678-L682 HydrophobicContact CE-CD1 4.44Å; M678-P683 HydrophobicContact CE-CG 4.34Å; M678-P683 HydrophobicContact SD-CG 4.45Å; M678-L686 HydrophobicContact CE-CD1 3.87Å; M678-L686 HydrophobicContact CE-CD2 4.27Å
679S77.1Confident79.1Confident97 Ų9783.4 Ų83.468%0.67843%0.428SS*.Hα-helixtrans-73.3-37.6177.4-1740000112.6R675 L676 K677R675-S679 WeakPolarHBondContact O-CB 3.21Å; R675-S679 PolarHBondContact O-N 2.99Å; L676-S679 PolarHBondContact O-N 3.08Å; K677-S679 VanDerWaalsContact C-N 3.34Å; K677-S679 PolarHBondContact O-N 2.68Å
680W74.6Confident79.4Confident190 Ų19080.4 Ų80.472%0.7241%0.405SS*.Hα-helixtrans-85.7-33.7-177.7-68.52000112.4L676 K677L676-W680 WeakPolarHBondContact O-CB 3.05Å; L676-W680 PolarHBondContact O-N 3.5Å; K677-W680 PolarHBondContact O-N 2.95Å
681F78Confident79.5Confident152 Ų15277.2 Ų77.267%0.66741%0.406SS*.  trans-129.279.2-176.7-58.5-77.7000110K677 P683K677-F681 PolarHBondContact O-N 3.42Å; F681-P683 WeakPolarHBondContact O-CD 3.31Å
682L78.8Confident79.9Confident44 Ų4472.9 Ų72.923%0.2339%0.39CS..  trans-67.6115.8172.6-168.373.8000108.5Y616 V618 M678Y616-L682 HydrophobicContact CE2-CD1 3.78Å; Y616-L682 HydrophobicContact CE2-CD2 4.09Å; Y616-L682 HydrophobicContact CE2-CG 4.02Å; Y616-L682 WeakPolarHBondContact OH-CG 3.31Å; V618-L682 HydrophobicContact CG2-CD1 3.93Å; M678-L682 HydrophobicContact CE-CD1 4.44Å
683P83.6Confident80.6Confident43 Ų4373.8 Ų73.828%0.27939%0.387SS..  trans-67.9148.4-174.126.9-32.7000111Y616 M678 F681 V685 L686Y616-P683 VanDerWaalsContact CE1-O 3.32Å; Y616-P683 WeakPolarHBondContact CE1-O 3.18Å; Y616-P683 VanDerWaalsContact CZ-O 3.3Å; Y616-P683 WeakPolarHBondContact OH-CD 3.41Å; Y616-P683 WeakPolarHBondContact OH-CG 3.39Å; Y616-P683 PolarHBondContact OH-O 3.01Å; M678-P683 HydrophobicContact CE-CG 4.34Å; M678-P683 HydrophobicContact SD-CG 4.45Å; F681-P683 WeakPolarHBondContact O-CD 3.31Å; P683-V685 PolarHBondContact O-N 3.34Å; P683-L686 HydrophobicContact CG-CB 4.21Å; P683-L686 HydrophobicContact CG-CD1 4.07Å
684T84.6Confident81.2Confident65 Ų6568.6 Ų68.640%0.39936%0.359SS..SBendtrans-62-33.7175.8-50.30000112.1T606 K696T606-T684 HydrophobicContact CG2-CG2 3.38Å; T684-K696 WeakPolarHBondContact CG2-O 3.5Å; T684-K696 PolarHBondContact O-N 2.77Å
685V85.3Confident81.8Confident54 Ų5464 Ų6433%0.32734%0.339SS..EExtended strand (participates in β ladder)trans-128.4120.2177-178.60000108.2P683 K693 L694 V695P683-V685 PolarHBondContact O-N 3.34Å; V685-K693 HydrophobicContact CG1-CB 3.79Å; V685-K693 HydrophobicContact CG1-CD 3.62Å; V685-K693 HydrophobicContact CG1-CG 3.86Å; V685-L694 CarbonylContact C-O 3.6Å; V685-L694 WeakPolarHBondContact CA-O 3.39Å; V685-V695 HydrophobicContact CG1-CG1 4.46Å; V685-V695 HydrophobicContact CG2-CG1 4.44Å
686L86.7Confident82.2Confident17 Ų1763.2 Ų63.29%0.08934%0.339CS..EExtended strand (participates in β ladder)trans-108.8113.5178.9178.562.6000109.9Y616 V618 M678 P683 T688 K693 L694Y616-L686 HydrophobicContact CD2-CD2 4.47Å; Y616-L686 HydrophobicContact CE2-CB 4.09Å; Y616-L686 HydrophobicContact CE2-CD2 3.71Å; V618-L686 HydrophobicContact CG1-CD2 3.71Å; M678-L686 HydrophobicContact CE-CD1 3.87Å; M678-L686 HydrophobicContact CE-CD2 4.27Å; P683-L686 HydrophobicContact CG-CB 4.21Å; P683-L686 HydrophobicContact CG-CD1 4.07Å; L686-T688 PolarHBondContact O-N 2.83Å; L686-K693 CarbonylContact O-C 3.57Å; L686-K693 WeakPolarHBondContact O-CA 3.41Å; L686-L694 HydrophobicContact CB-CB 4.27Å; L686-L694 HydrophobicContact CD2-CD1 4.3Å; L686-L694 PolarHBondContact N-O 2.66Å; L686-L694 PolarHBondContact O-N 2.94Å
687D84.4Confident82.4Confident100 Ų10062.3 Ų62.354%0.53534%0.339SS..EExtended strand (participates in β ladder)trans-71.7126172.5-167.8-16000110.2G689D687-G689 VanDerWaalsContact C-N 3.3Å; D687-G689 PolarHBondContact OD1-N 3.46Å
688T82.1Confident82.5Confident5 Ų558 Ų583%0.03132%0.324CS..  trans-79.2-14.3177.466.30000112.3R539 I541 L686 Q690 F692 L694R539-T688 PolarHBondContact NH1-O 3.49Å; R539-T688 PolarHBondContact NH2-O 3.47Å; I541-T688 HydrophobicContact CD1-CG2 3.97Å; L686-T688 PolarHBondContact O-N 2.83Å; T688-Q690 PolarHBondContact O-N 3.06Å; T688-Q690 PolarHBondContact OG1-N 3.34Å; T688-F692 WeakPolarHBondContact CB-O 3.46Å; T688-F692 HydrophobicContact CG2-CD2 3.96Å; T688-F692 HydrophobicContact CG2-CE2 3.67Å; T688-F692 HydrophobicContact CG2-CZ 4.21Å; T688-F692 WeakPolarHBondContact CG2-O 3.46Å; T688-F692 PolarHBondContact N-O 3.23Å; T688-F692 PolarHBondContact OG1-O 3.32Å; T688-L694 HydrophobicContact CG2-CD1 4.35Å; T688-L694 HydrophobicContact CG2-CD2 4.16Å; T688-L694 HydrophobicContact CG2-CG 3.81Å
689G75.8Confident82.7Confident51 Ų5158.8 Ų58.853%0.52633%0.33SS..SBendtrans75.87.5-173.300000114.3D687D687-G689 VanDerWaalsContact C-N 3.3Å; D687-G689 PolarHBondContact OD1-N 3.46Å
690Q75.1Confident83Confident19 Ų1956.7 Ų56.79%0.08931%0.31CS..SBendtrans-1069.1172.1-72.7-82.1-12.500111.9G409 T410 S411 T497 T688 F692G409-Q690 PolarHBondContact O-NE2 3.47Å; G409-Q690 PolarHBondContact O-OE1 2.7Å; T410-Q690 PolarHBondContact O-NE2 2.97Å; S411-Q690 PolarHBondContact OG-OE1 3.22Å; T497-Q690 PolarHBondContact OG1-NE2 3.15Å; T688-Q690 PolarHBondContact O-N 3.06Å; T688-Q690 PolarHBondContact OG1-N 3.34Å; Q690-F692 HydrophobicContact CB-CD1 3.89Å; Q690-F692 HydrophobicContact CB-CE1 3.58Å; Q690-F692 HydrophobicContact CG-CE1 4.46Å
691G76.4Confident83.5Confident53 Ų5348.9 Ų48.955%0.54629%0.286SS..SBendtrans87.64.1-179.300000115.1H458H458-G691 PolarHBondContact CE1-O 3.16Å; H458-G691 PolarHBondContact ND1-O 3.12Å
692F85.9Confident83.8Confident0 Ų042.4 Ų42.40%026%0.263CS..  trans-127.1160.7170.968.8-91000111.5F454 I460 I499 I541 W592 N596 T688 Q690F454-F692 HydrophobicContact CE2-CB 3.9Å; F454-F692 HydrophobicContact CE2-CD2 4.43Å; F454-F692 HydrophobicContact CE2-CG 4.1Å; F454-F692 HydrophobicContact CZ-CB 3.98Å; F454-F692 AromaticContact CZ-CD1 3.9Å; F454-F692 HydrophobicContact CZ-CD1 3.9Å; F454-F692 AromaticContact CZ-CD2 3.84Å; F454-F692 HydrophobicContact CZ-CD2 3.84Å; F454-F692 HydrophobicContact CZ-CE1 4.31Å; F454-F692 HydrophobicContact CZ-CE2 4.25Å; F454-F692 AromaticContact CZ-CG 3.65Å; F454-F692 HydrophobicContact CZ-CG 3.65Å; F454-F692 HydrophobicContact CZ-CZ 4.47Å; I460-F692 HydrophobicContact CD1-CE1 4.34Å; I499-F692 HydrophobicContact CD1-CE1 3.68Å; I499-F692 HydrophobicContact CD1-CZ 3.5Å; I499-F692 HydrophobicContact CG1-CZ 4.17Å; I541-F692 HydrophobicContact CD1-CE2 4.13Å; I541-F692 HydrophobicContact CD1-CZ 3.89Å; W592-F692 HydrophobicContact CH2-CD2 4.48Å; W592-F692 HydrophobicContact CZ2-CD2 4.24Å; N596-F692 HydrophobicContact CB-CB 4.3Å; T688-F692 WeakPolarHBondContact CB-O 3.46Å; T688-F692 HydrophobicContact CG2-CD2 3.96Å; T688-F692 HydrophobicContact CG2-CE2 3.67Å; T688-F692 HydrophobicContact CG2-CZ 4.21Å; T688-F692 WeakPolarHBondContact CG2-O 3.46Å; T688-F692 PolarHBondContact N-O 3.23Å; T688-F692 PolarHBondContact OG1-O 3.32Å; Q690-F692 HydrophobicContact CB-CD1 3.89Å; Q690-F692 HydrophobicContact CB-CE1 3.58Å; Q690-F692 HydrophobicContact CG-CE1 4.46Å
693K90.3Very high84.1Confident86 Ų8642.3 Ų42.337%0.37427%0.265SS..EExtended strand (participates in β ladder)trans-121.8143-168.9-67.9158.7172.7-1790111.6Y595 N596 V685 L686Y595-K693 HydrophobicContact CE1-CB 4.32Å; Y595-K693 HydrophobicContact CE1-CD 4.25Å; N596-K693 PolarHBondContact OD1-N 2.9Å; N596-K693 PolarHBondContact OD1-O 3.45Å; V685-K693 HydrophobicContact CG1-CB 3.79Å; V685-K693 HydrophobicContact CG1-CD 3.62Å; V685-K693 HydrophobicContact CG1-CG 3.86Å; L686-K693 CarbonylContact O-C 3.57Å; L686-K693 WeakPolarHBondContact O-CA 3.41Å
694L90.3Very high84.2Confident0 Ų042.3 Ų42.30%026%0.264CS..EExtended strand (participates in β ladder)trans-89140.2164.3-51-179000108.3I541 A565 Q567 Y616 V685 L686 T688I541-L694 HydrophobicContact CG2-CD2 4.11Å; A565-L694 HydrophobicContact CB-CD1 3.64Å; Q567-L694 HydrophobicContact CB-CD2 4.22Å; Y616-L694 HydrophobicContact CD1-CB 4.43Å; Y616-L694 HydrophobicContact CD2-CB 4.29Å; Y616-L694 HydrophobicContact CD2-CD1 4.48Å; Y616-L694 HydrophobicContact CG-CB 4.13Å; V685-L694 CarbonylContact C-O 3.6Å; V685-L694 WeakPolarHBondContact CA-O 3.39Å; L686-L694 HydrophobicContact CB-CB 4.27Å; L686-L694 HydrophobicContact CD2-CD1 4.3Å; L686-L694 PolarHBondContact N-O 2.66Å; L686-L694 PolarHBondContact O-N 2.94Å; T688-L694 HydrophobicContact CG2-CD1 4.35Å; T688-L694 HydrophobicContact CG2-CD2 4.16Å; T688-L694 HydrophobicContact CG2-CG 3.81Å
695V90.8Very high84.2Confident0 Ų040.5 Ų40.50%025%0.253CS..EExtended strand (participates in β ladder)trans-131.1141.3-166.8-690000111.1Q567 Y595 W605 A614 Y616 V685Q567-V695 PolarHBondContact NE2-O 2.91Å; Q567-V695 PolarHBondContact OE1-O 3.29Å; Y595-V695 HydrophobicContact CD1-CG1 3.93Å; Y595-V695 HydrophobicContact CE1-CG1 3.44Å; Y595-V695 VanDerWaalsContact CE1-CG1 3.44Å; W605-V695 HydrophobicContact CD2-CB 4.32Å; W605-V695 HydrophobicContact CD2-CG2 3.98Å; W605-V695 HydrophobicContact CG-CB 3.95Å; W605-V695 HydrophobicContact CG-CG1 4.37Å; W605-V695 HydrophobicContact CG-CG2 4.14Å; W605-V695 HydrophobicContact CZ2-CG2 4.23Å; A614-V695 HydrophobicContact CB-CG2 3.78Å; A614-V695 WeakPolarHBondContact CB-O 3.22Å; Y616-V695 WeakPolarHBondContact CD1-O 3.23Å; V685-V695 HydrophobicContact CG1-CG1 4.46Å; V685-V695 HydrophobicContact CG2-CG1 4.44Å
696K87.9Confident84.1Confident82 Ų8239.4 Ų39.436%0.35725%0.247SC..  trans-125.1135.9175.5-177.4-174.1172.5-163.30108.6A614 Y616 T684A614-K696 CarbonylContact O-C 3.58Å; A614-K696 WeakPolarHBondContact O-CA 3.5Å; Y616-K696 HydrophobicContact CD1-CB 3.65Å; Y616-K696 HydrophobicContact CE1-CB 3.63Å; T684-K696 WeakPolarHBondContact CG2-O 3.5Å; T684-K696 PolarHBondContact O-N 2.77Å
697S83Confident83.8Confident60 Ų6041.5 Ų41.542%0.4226%0.261SS..  trans-79.10171.6-71.20000113.7W605 A614W605-S697 WeakPolarHBondContact O-CA 3.43Å; W605-S697 WeakPolarHBondContact O-CB 3.05Å; W605-S697 PolarHBondContact O-OG 2.83Å; A614-S697 PolarHBondContact N-OG 2.94Å; A614-S697 VanDerWaalsContact N-OG 3.14Å; A614-S697 PolarHBondContact O-N 3.39Å

Retrieved 697 of 697 residues in 369.4 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).