A0A3Q0KU77_SCHMA Loading...

LanC-like protein 3

AlphaFold DB , UniProt , Accession A0A3Q0KU77, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 429 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
1M51.6Low78.9Confident160 Ų16093.8 Ų93.879%0.78848%0.477SS*.  0132.40-75157.3-176.500107.8E336 T340M1-E336 HydrophobicContact CE-CB 4.14Å; M1-E336 HydrophobicContact CE-CG 4.45Å; M1-E336 WeakPolarHBondContact CE-OE2 3.4Å; M1-T340 HydrophobicContact SD-CG2 4.49Å; M1-T340 PolarHBondContact SD-OG1 3.44Å
2V54.3Low80.3Confident127 Ų12788.3 Ų88.377%0.7745%0.45SS*.  trans-62.1134.1169.4177.80000107.4I4V2-I4 PolarHBondContact O-N 3.06Å; V2-I4 VanDerWaalsContact O-N 3.08Å
3E63.8Low81.5Confident137 Ų13787.6 Ų87.664%0.6446%0.455SS*.  trans-67.1107.9176.3-168.9165.4-151.800108.4K11E3-K11 WeakPolarHBondContact OE1-CD 2.99Å; E3-K11 WeakPolarHBondContact OE1-CE 3.26Å; E3-K11 IonicContact OE1-NZ 3.48Å; E3-K11 PolarHBondContact OE1-NZ 2.71Å; E3-K11 IonicContact OE2-NZ 3.57Å
4I73Confident82.6Confident55 Ų5584.8 Ų84.828%0.28244%0.437SS..  trans-89.3117.9175.7-62.3170.5000106.4V2 D6 H9 N285V2-I4 PolarHBondContact O-N 3.06Å; V2-I4 VanDerWaalsContact O-N 3.08Å; I4-D6 HydrophobicContact CG2-CB 4.48Å; I4-H9 PolarHBondContact O-CE1 2.76Å; I4-H9 PolarHBondContact O-NE2 3.48Å; I4-N285 HydrophobicContact CD1-CB 4.38Å
5N76.6Confident83.4Confident144 Ų14489.5 Ų89.577%0.7746%0.457SS*.  trans-112.591.5171.7-174.12.5000109.5G7N5-G7 PolarHBondContact OD1-N 3.26Å
6D81.7Confident84.3Confident30 Ų3087.3 Ų87.316%0.1645%0.446CS..  trans-92.60176.957.231000112.9I4 R8 H9 I300 R341I4-D6 HydrophobicContact CG2-CB 4.48Å; D6-R8 PolarHBondContact O-N 3.41Å; D6-R8 WeakPolarHBondContact OD1-CA 3.42Å; D6-R8 WeakPolarHBondContact OD1-CB 3.36Å; D6-R8 PolarHBondContact OD1-N 3.49Å; D6-H9 VanDerWaalsContact CG-ND1 3.29Å; D6-H9 IonicContact OD1-CE1 2.81Å; D6-H9 PolarHBondContact OD1-CE1 3.41Å; D6-H9 IonicContact OD1-CG 2.79Å; D6-H9 IonicContact OD1-ND1 2.83Å; D6-H9 PolarHBondContact OD1-ND1 3.43Å; D6-H9 IonicContact OD2-CE1 2.86Å; D6-H9 PolarHBondContact OD2-CE1 3Å; D6-H9 IonicContact OD2-ND1 2.71Å; D6-H9 PolarHBondContact OD2-ND1 3.31Å; D6-I300 HydrophobicContact CB-CB 4.28Å; D6-I300 HydrophobicContact CB-CG2 4.1Å; D6-R341 IonicContact OD2-CZ 3.63Å; D6-R341 IonicContact OD2-NE 2.78Å; D6-R341 PolarHBondContact OD2-NE 3.38Å; D6-R341 IonicContact OD2-NH2 2.77Å; D6-R341 PolarHBondContact OD2-NH2 2.93Å
7G88.6Confident85Confident42 Ų4285.3 Ų85.343%0.43343%0.432SS..SBendtrans68.710.8-176.200000114.8N5 H345N5-G7 PolarHBondContact OD1-N 3.26Å; G7-H345 PolarHBondContact O-ND1 3.39Å
8R93.1Very high85.7Confident119 Ų11985.4 Ų85.445%0.44944%0.438SS..SBendtrans-112.1-10.8-176.3-59.3-60.8-170.9143.82.7114.4D6 I300 H345D6-R8 PolarHBondContact O-N 3.41Å; D6-R8 WeakPolarHBondContact OD1-CA 3.42Å; D6-R8 WeakPolarHBondContact OD1-CB 3.36Å; D6-R8 PolarHBondContact OD1-N 3.49Å; R8-I300 HydrophobicContact CG-CB 4.22Å; R8-I300 WeakPolarHBondContact CG-O 3.45Å; R8-H345 WeakPolarHBondContact O-CB 3.39Å; R8-H345 PolarHBondContact O-N 3.48Å
9H94.8Very high86Confident17 Ų1788.1 Ų88.18%0.07946%0.459CS..BIsolated β-bridgetrans-136.7151.4-178.967.8-79.7000112.2I4 D6 R341 L343 L344 H345I4-H9 PolarHBondContact O-CE1 2.76Å; I4-H9 PolarHBondContact O-NE2 3.48Å; D6-H9 VanDerWaalsContact CG-ND1 3.29Å; D6-H9 IonicContact OD1-CE1 2.81Å; D6-H9 PolarHBondContact OD1-CE1 3.41Å; D6-H9 IonicContact OD1-CG 2.79Å; D6-H9 IonicContact OD1-ND1 2.83Å; D6-H9 PolarHBondContact OD1-ND1 3.43Å; D6-H9 IonicContact OD2-CE1 2.86Å; D6-H9 PolarHBondContact OD2-CE1 3Å; D6-H9 IonicContact OD2-ND1 2.71Å; D6-H9 PolarHBondContact OD2-ND1 3.31Å; H9-R341 WeakPolarHBondContact CB-O 3.39Å; H9-L343 CarbonylContact C-O 3.55Å; H9-L343 VanDerWaalsContact CA-O 3.26Å; H9-L343 WeakPolarHBondContact CA-O 3.45Å; H9-L343 WeakPolarHBondContact CB-O 3.37Å; H9-L344 HydrophobicContact CB-CD2 4.46Å; H9-H345 VanDerWaalsContact C-NE2 3.28Å; H9-H345 PolarHBondContact O-CE1 3.12Å; H9-H345 PolarHBondContact O-NE2 3.27Å; H9-H345 VanDerWaalsContact O-NE2 3.14Å
10F95.3Very high86.2Confident50 Ų5087.4 Ų87.422%0.21947%0.474CS..  trans-74.5143.7167.2-60.4-81.2000109.1N12 L343 H345 W383 T392F10-N12 PolarHBondContact O-N 3.48Å; F10-L343 HydrophobicContact CB-CB 4.36Å; F10-L343 WeakPolarHBondContact CD2-O 3.19Å; F10-L343 PolarHBondContact N-O 3.13Å; F10-H345 AromaticContact CD1-CD2 3.6Å; F10-H345 AromaticContact CD1-NE2 3.73Å; F10-H345 AromaticContact CD2-CD2 3.63Å; F10-H345 AromaticContact CE1-CD2 3.6Å; F10-H345 AromaticContact CE1-NE2 4Å; F10-H345 AromaticContact CE2-CD2 3.64Å; F10-H345 AromaticContact CG-CD2 3.63Å; F10-H345 AromaticContact CG-NE2 3.96Å; F10-H345 AromaticContact CZ-CD2 3.63Å; F10-W383 HydrophobicContact CB-CH2 4.01Å; F10-W383 HydrophobicContact CB-CZ2 4.17Å; F10-W383 HydrophobicContact CD1-CH2 4.49Å; F10-W383 HydrophobicContact CD2-CH2 4.02Å; F10-W383 AromaticContact CD2-CZ2 3.42Å; F10-W383 HydrophobicContact CD2-CZ2 3.42Å; F10-W383 VanDerWaalsContact CD2-CZ2 3.42Å; F10-W383 AromaticContact CE2-CZ2 3.86Å; F10-W383 HydrophobicContact CE2-CZ2 3.86Å; F10-W383 AromaticContact CG-CH2 3.94Å; F10-W383 HydrophobicContact CG-CH2 3.94Å; F10-W383 AromaticContact CG-CZ2 3.84Å; F10-W383 HydrophobicContact CG-CZ2 3.84Å; F10-T392 HydrophobicContact CE1-CG2 4.33Å; F10-T392 HydrophobicContact CZ-CG2 3.89Å
11K94.7Very high86.4Confident151 Ų15185.6 Ų85.666%0.65746%0.464SS*.  trans-56.7125.5166.9-177.7173.1-172.3153.70109.1E3 P13E3-K11 WeakPolarHBondContact OE1-CD 2.99Å; E3-K11 WeakPolarHBondContact OE1-CE 3.26Å; E3-K11 IonicContact OE1-NZ 3.48Å; E3-K11 PolarHBondContact OE1-NZ 2.71Å; E3-K11 IonicContact OE2-NZ 3.57Å; K11-P13 VanDerWaalsContact O-CD 3.25Å; K11-P13 WeakPolarHBondContact O-CD 3.18Å; K11-P13 VanDerWaalsContact O-N 3.14Å
12N96.1Very high88.1Confident28 Ų2883 Ų8315%0.1545%0.45CS..  trans-62.4115180-172.3-19.1000110.2F10 F14 W339 L343F10-N12 PolarHBondContact O-N 3.48Å; N12-F14 VanDerWaalsContact C-N 3.33Å; N12-F14 WeakPolarHBondContact OD1-CB 3.44Å; N12-F14 WeakPolarHBondContact OD1-CD2 3.32Å; N12-F14 PolarHBondContact OD1-N 2.99Å; N12-W339 PolarHBondContact ND2-O 3.2Å; N12-L343 HydrophobicContact CB-CD1 4.24Å
13P96Very high89.7Confident79 Ų7979.3 Ų79.351%0.51343%0.426SS..  trans-83.6-11.1-176.236-36.9000112.8K11 W383K11-P13 VanDerWaalsContact O-CD 3.25Å; K11-P13 WeakPolarHBondContact O-CD 3.18Å; K11-P13 VanDerWaalsContact O-N 3.14Å; P13-W383 HydrophobicContact CG-CE3 4.28Å; P13-W383 HydrophobicContact CG-CZ3 3.95Å
14F96.2Very high90.9Very high48 Ų4878.1 Ų78.121%0.21142%0.418CS..SBendtrans-83.4139.6-175.6-52.8-66.2000110.5N12 W339 L343 K379 W383N12-F14 VanDerWaalsContact C-N 3.33Å; N12-F14 WeakPolarHBondContact OD1-CB 3.44Å; N12-F14 WeakPolarHBondContact OD1-CD2 3.32Å; N12-F14 PolarHBondContact OD1-N 2.99Å; F14-W339 HydrophobicContact CB-CH2 3.95Å; F14-W339 HydrophobicContact CB-CZ2 4.38Å; F14-L343 HydrophobicContact CD2-CD1 4.31Å; F14-L343 HydrophobicContact CE2-CD1 4.05Å; F14-K379 HydrophobicContact CB-CB 4.31Å; F14-K379 HydrophobicContact CB-CD 4.28Å; F14-K379 HydrophobicContact CB-CG 4.23Å; F14-K379 HydrophobicContact CD1-CB 4.42Å; F14-K379 HydrophobicContact CD1-CD 3.84Å; F14-K379 HydrophobicContact CD2-CB 3.83Å; F14-K379 HydrophobicContact CE1-CD 4.35Å; F14-K379 HydrophobicContact CE2-CB 4.24Å; F14-K379 WeakPolarHBondContact CE2-O 3.39Å; F14-K379 HydrophobicContact CG-CB 3.93Å; F14-K379 HydrophobicContact CG-CD 4.03Å; F14-K379 HydrophobicContact CG-CG 4.21Å; F14-W383 HydrophobicContact CE2-CB 4Å; F14-W383 HydrophobicContact CE2-CE3 4.06Å; F14-W383 HydrophobicContact CZ-CB 4.08Å; F14-W383 HydrophobicContact CZ-CE3 4.12Å
15Q96Very high91.5Very high156 Ų15676 Ų7673%0.72941%0.408SS*.PPolyproline II helixtrans-65.9149.8165.2-64-58.3-38.600109.2Y375Q15-Y375 WeakPolarHBondContact O-CE1 3.33Å; Q15-Y375 PolarHBondContact O-OH 3.41Å
16D97Very high91.9Very high54 Ų5473.9 Ų73.929%0.28939%0.394SS..PPolyproline II helixtrans-76.2162.4175-157.47.7000110.7T18 W339 R376D16-T18 PolarHBondContact O-N 2.74Å; D16-W339 HydrophobicContact CB-CZ2 4.27Å; D16-R376 IonicContact OD1-CZ 2.74Å; D16-R376 IonicContact OD1-NE 3.62Å; D16-R376 PolarHBondContact OD1-NE 3.01Å; D16-R376 IonicContact OD1-NH2 3.92Å; D16-R376 PolarHBondContact OD1-NH2 3.32Å; D16-R376 IonicContact OD2-CZ 3.36Å; D16-R376 IonicContact OD2-NE 3.91Å; D16-R376 IonicContact OD2-NH2 3.35Å; D16-R376 PolarHBondContact OD2-NH2 3.05Å
17Y97Very high92Very high53 Ų5377.2 Ų77.221%0.20841%0.412CS..PPolyproline II helixtrans-55.9135.8-176.5174.9-106.6000112.8D21 L23 P371 K372 Y375Y17-D21 HydrophobicContact CD2-CB 3.84Å; Y17-D21 HydrophobicContact CE2-CB 3.87Å; Y17-L23 HydrophobicContact CD2-CD2 4.45Å; Y17-L23 HydrophobicContact CE2-CD2 4.09Å; Y17-P371 HydrophobicContact CE1-CB 4.35Å; Y17-P371 HydrophobicContact CE1-CG 3.98Å; Y17-P371 HydrophobicContact CE2-CB 4.37Å; Y17-K372 HydrophobicContact CD1-CB 3.79Å; Y17-K372 HydrophobicContact CD1-CG 4.45Å; Y17-K372 HydrophobicContact CG-CB 4.16Å; Y17-Y375 HydrophobicContact CD2-CD1 4.42Å; Y17-Y375 AromaticContact CD2-CD2 3.93Å; Y17-Y375 HydrophobicContact CD2-CD2 3.93Å; Y17-Y375 AromaticContact CD2-CG 3.74Å; Y17-Y375 HydrophobicContact CD2-CG 3.74Å; Y17-Y375 HydrophobicContact CG-CG 4.29Å
18T96Very high92Very high87 Ų8776.8 Ų76.853%0.53440%0.4SS..  trans-125.5149.9169.3610000110.2D16 G20 D21D16-T18 PolarHBondContact O-N 2.74Å; T18-G20 PolarHBondContact O-N 2.95Å; T18-G20 VanDerWaalsContact O-N 3.12Å; T18-D21 PolarHBondContact N-OD2 3.41Å; T18-D21 WeakPolarHBondContact O-CB 3.4Å; T18-D21 PolarHBondContact O-N 2.56Å; T18-D21 VanDerWaalsContact O-N 3.1Å; T18-D21 PolarHBondContact OG1-OD2 2.98Å
19T92.8Very high91.9Very high137 Ų13774.1 Ų74.184%0.8440%0.4SS*.THydrogen-bonded Turntrans-57.7120.6177.8-54.50000110.5
20G89.1Confident92Very high74 Ų7473.3 Ų73.376%0.76340%0.397SS*.THydrogen-bonded Turntrans109.1-9.7-178.400000114.5T18T18-G20 PolarHBondContact O-N 2.95Å; T18-G20 VanDerWaalsContact O-N 3.12Å
21D91.5Very high91.9Very high50 Ų5071.6 Ų71.627%0.26739%0.39SS..  trans-57.7145.5173.1-84-46.6000112.4Y17 T18 L23 Y375Y17-D21 HydrophobicContact CD2-CB 3.84Å; Y17-D21 HydrophobicContact CE2-CB 3.87Å; T18-D21 PolarHBondContact N-OD2 3.41Å; T18-D21 WeakPolarHBondContact O-CB 3.4Å; T18-D21 PolarHBondContact O-N 2.56Å; T18-D21 VanDerWaalsContact O-N 3.1Å; T18-D21 PolarHBondContact OG1-OD2 2.98Å; D21-L23 PolarHBondContact O-N 3.27Å; D21-Y375 HydrophobicContact CB-CD2 3.73Å; D21-Y375 HydrophobicContact CB-CE2 3.65Å
22Q86.1Confident91.8Very high106 Ų10670 Ų7050%0.49539%0.389SS..  trans-69.2127.2178.3-179.763.5-82.600110.9K24 N27Q22-K24 HydrophobicContact CG-CB 4.43Å; Q22-K24 VanDerWaalsContact OE1-CB 3.32Å; Q22-K24 VanDerWaalsContact OE1-N 3.16Å; Q22-N27 HydrophobicContact CG-CB 4.4Å; Q22-N27 PolarHBondContact NE2-ND2 2.91Å
23L88.9Confident91.8Very high49 Ų4971 Ų7126%0.25739%0.392SS..  trans-111.9-0.7178.9-58.8176.1000112.9Y17 D21 V25 P371 L374 Y375 I378Y17-L23 HydrophobicContact CD2-CD2 4.45Å; Y17-L23 HydrophobicContact CE2-CD2 4.09Å; D21-L23 PolarHBondContact O-N 3.27Å; L23-V25 PolarHBondContact O-N 2.78Å; L23-P371 HydrophobicContact CD1-CB 3.51Å; L23-L374 HydrophobicContact CB-CD2 4.1Å; L23-Y375 HydrophobicContact CD2-CD2 4.37Å; L23-I378 VanDerWaalsContact O-CD1 3.3Å; L23-I378 WeakPolarHBondContact O-CD1 3.49Å
24K87.8Confident91.9Very high111 Ų11167.3 Ų67.348%0.48337%0.368SS..  trans-87.2108.6-179.7-72.3177.6153.6-130.10111.4Q22 E26 N27Q22-K24 HydrophobicContact CG-CB 4.43Å; Q22-K24 VanDerWaalsContact OE1-CB 3.32Å; Q22-K24 VanDerWaalsContact OE1-N 3.16Å; K24-E26 HydrophobicContact CB-CG 3.86Å; K24-E26 WeakPolarHBondContact CD-OE1 3.43Å; K24-E26 IonicContact NZ-OE1 3.2Å; K24-E26 PolarHBondContact NZ-OE1 3.4Å; K24-E26 PolarHBondContact O-N 3.02Å; K24-N27 PolarHBondContact O-N 3.06Å; K24-N27 VanDerWaalsContact O-N 3.09Å
25V85.6Confident91.8Very high12 Ų1267.6 Ų67.67%0.07337%0.374CS..G310 helixtrans-61.4-32.4179.1177.60000112.3L23 N27 T28 I30 I378 I415 L416L23-V25 PolarHBondContact O-N 2.78Å; V25-N27 PolarHBondContact O-N 3.09Å; V25-N27 VanDerWaalsContact O-N 3.1Å; V25-T28 WeakPolarHBondContact O-CB 3.31Å; V25-T28 PolarHBondContact O-N 3.14Å; V25-T28 PolarHBondContact O-OG1 3.16Å; V25-I30 HydrophobicContact CG1-CB 4.47Å; V25-I30 HydrophobicContact CG1-CD1 4.21Å; V25-I378 HydrophobicContact CG2-CD1 3.78Å; V25-I378 HydrophobicContact CG2-CG1 3.78Å; V25-I415 HydrophobicContact CG1-CG2 4.01Å; V25-I415 HydrophobicContact CG2-CG1 4.16Å; V25-I415 WeakPolarHBondContact CG2-O 3.31Å; V25-L416 HydrophobicContact CG1-CD2 3.68Å
26E84.6Confident91.8Very high99 Ų9964.9 Ų64.946%0.46336%0.361SS..G310 helixtrans-54.4-25.8173.955.9-177.6-168.100113.8K24 T28 L76K24-E26 HydrophobicContact CB-CG 3.86Å; K24-E26 WeakPolarHBondContact CD-OE1 3.43Å; K24-E26 IonicContact NZ-OE1 3.2Å; K24-E26 PolarHBondContact NZ-OE1 3.4Å; K24-E26 PolarHBondContact O-N 3.02Å; E26-T28 VanDerWaalsContact C-N 3.34Å; E26-L76 HydrophobicContact CB-CD1 3.83Å; E26-L76 HydrophobicContact CB-CD2 4.48Å
27N84Confident91.9Very high100 Ų10062.8 Ų62.854%0.53535%0.35SS..G310 helixtrans-93.28.4-179.3-64.1-26.9000113.1Q22 K24 V25Q22-N27 HydrophobicContact CG-CB 4.4Å; Q22-N27 PolarHBondContact NE2-ND2 2.91Å; K24-N27 PolarHBondContact O-N 3.06Å; K24-N27 VanDerWaalsContact O-N 3.09Å; V25-N27 PolarHBondContact O-N 3.09Å; V25-N27 VanDerWaalsContact O-N 3.1Å
28T89.2Confident91.9Very high32 Ų3260.6 Ų60.620%0.19634%0.341CS..SBendtrans-103.4173.2178.972.80000111.3V25 E26 I30 P31 I378V25-T28 WeakPolarHBondContact O-CB 3.31Å; V25-T28 PolarHBondContact O-N 3.14Å; V25-T28 PolarHBondContact O-OG1 3.16Å; E26-T28 VanDerWaalsContact C-N 3.34Å; T28-I30 HydrophobicContact CG2-CD1 4.46Å; T28-I30 PolarHBondContact O-N 2.96Å; T28-I30 WeakPolarHBondContact OG1-CB 3.29Å; T28-I30 WeakPolarHBondContact OG1-CD1 3.41Å; T28-I30 WeakPolarHBondContact OG1-CG1 3.39Å; T28-I30 PolarHBondContact OG1-N 2.92Å; T28-P31 WeakPolarHBondContact O-CD 3.34Å; T28-I378 HydrophobicContact CG2-CG2 4.31Å
29S91.9Very high91.9Very high64 Ų6460.9 Ų60.945%0.44834%0.339SS..SBendtrans-77-5172.358.50000113.9N32 K33S29-N32 PolarHBondContact O-N 2.96Å; S29-K33 WeakPolarHBondContact O-CG 3.45Å; S29-K33 PolarHBondContact O-N 3.21Å; S29-K33 VanDerWaalsContact O-N 3.09Å
30I95.4Very high92.2Very high0 Ų056.6 Ų56.60%031%0.313CS..Hα-helixtrans-55.9-48.2-172.7-66.3166000112.4V25 T28 N32 K33 I34 A381 E382 T385 L412 I415 L416V25-I30 HydrophobicContact CG1-CB 4.47Å; V25-I30 HydrophobicContact CG1-CD1 4.21Å; T28-I30 HydrophobicContact CG2-CD1 4.46Å; T28-I30 PolarHBondContact O-N 2.96Å; T28-I30 WeakPolarHBondContact OG1-CB 3.29Å; T28-I30 WeakPolarHBondContact OG1-CD1 3.41Å; T28-I30 WeakPolarHBondContact OG1-CG1 3.39Å; T28-I30 PolarHBondContact OG1-N 2.92Å; I30-N32 VanDerWaalsContact C-N 3.34Å; I30-N32 PolarHBondContact O-N 3.23Å; I30-K33 PolarHBondContact O-N 3.17Å; I30-K33 VanDerWaalsContact O-N 3.13Å; I30-I34 HydrophobicContact CG2-CD1 3.9Å; I30-I34 HydrophobicContact CG2-CG1 4.28Å; I30-I34 WeakPolarHBondContact O-CG1 3.46Å; I30-I34 PolarHBondContact O-N 3.29Å; I30-A381 HydrophobicContact CD1-CB 3.66Å; I30-E382 HydrophobicContact CD1-CG 4.29Å; I30-T385 HydrophobicContact CB-CG2 4.42Å; I30-T385 HydrophobicContact CG1-CG2 3.81Å; I30-L412 HydrophobicContact CG2-CB 4.48Å; I30-L412 HydrophobicContact CG2-CD2 4.21Å; I30-I415 HydrophobicContact CD1-CG2 4.35Å; I30-I415 HydrophobicContact CG2-CG2 4.19Å; I30-L416 HydrophobicContact CG2-CD2 4.42Å
31P93.1Very high92.6Very high13 Ų1353.1 Ų53.18%0.08428%0.277CS..Hα-helixtrans-57.4-43.9-179.3-25.835.6000113.5T28 K33 I34 V35 L76 L416T28-P31 WeakPolarHBondContact O-CD 3.34Å; P31-K33 PolarHBondContact O-N 3.48Å; P31-I34 WeakPolarHBondContact O-CB 3.18Å; P31-I34 PolarHBondContact O-N 2.97Å; P31-V35 PolarHBondContact O-N 3.4Å; P31-L76 HydrophobicContact CB-CB 4.29Å; P31-L76 HydrophobicContact CG-CB 4.48Å; P31-L76 HydrophobicContact CG-CD1 3.86Å; P31-L416 HydrophobicContact CG-CD2 4.17Å
32N93.5Very high92.9Very high118 Ų11853 Ų5363%0.63128%0.277SS*.Hα-helixtrans-65.6-40.5178-68.6-20.4000111.4S29 I30 I34 V35 E36S29-N32 PolarHBondContact O-N 2.96Å; I30-N32 VanDerWaalsContact C-N 3.34Å; I30-N32 PolarHBondContact O-N 3.23Å; N32-I34 VanDerWaalsContact C-N 3.33Å; N32-I34 PolarHBondContact O-N 2.94Å; N32-V35 WeakPolarHBondContact O-CB 3.34Å; N32-V35 PolarHBondContact O-N 3.04Å; N32-E36 PolarHBondContact O-N 3.11Å
33K96.6Very high93.4Very high50 Ų5052.4 Ų52.422%0.21728%0.284CS..Hα-helixtrans-66.5-33178.2-73.8-76.9173.5-163.40112.9S29 I30 P31 V35 E36 L37 T385S29-K33 WeakPolarHBondContact O-CG 3.45Å; S29-K33 PolarHBondContact O-N 3.21Å; S29-K33 VanDerWaalsContact O-N 3.09Å; I30-K33 PolarHBondContact O-N 3.17Å; I30-K33 VanDerWaalsContact O-N 3.13Å; P31-K33 PolarHBondContact O-N 3.48Å; K33-V35 VanDerWaalsContact C-N 3.3Å; K33-V35 PolarHBondContact O-N 2.87Å; K33-E36 WeakPolarHBondContact CD-OE2 3.38Å; K33-E36 IonicContact NZ-OE1 3.11Å; K33-E36 IonicContact NZ-OE2 3.36Å; K33-E36 PolarHBondContact NZ-OE2 3.5Å; K33-E36 PolarHBondContact O-N 3.35Å; K33-L37 WeakPolarHBondContact O-CB 3.5Å; K33-L37 VanDerWaalsContact O-CG 3.29Å; K33-L37 WeakPolarHBondContact O-CG 3.49Å; K33-L37 PolarHBondContact O-N 3.38Å; K33-T385 HydrophobicContact CB-CG2 3.77Å; K33-T385 HydrophobicContact CG-CG2 4.03Å
34I97Very high93.7Very high0 Ų050.9 Ų50.90%028%0.276CS..Hα-helixtrans-58-45.2171.6-70.1165.6000110.3I30 P31 N32 L37 L38 L77 L409 L412 V413 L416I30-I34 HydrophobicContact CG2-CD1 3.9Å; I30-I34 HydrophobicContact CG2-CG1 4.28Å; I30-I34 WeakPolarHBondContact O-CG1 3.46Å; I30-I34 PolarHBondContact O-N 3.29Å; P31-I34 WeakPolarHBondContact O-CB 3.18Å; P31-I34 PolarHBondContact O-N 2.97Å; N32-I34 VanDerWaalsContact C-N 3.33Å; N32-I34 PolarHBondContact O-N 2.94Å; I34-L37 PolarHBondContact O-N 3.41Å; I34-L38 HydrophobicContact CG2-CD1 3.73Å; I34-L38 HydrophobicContact CG2-CG 4.21Å; I34-L38 VanDerWaalsContact O-CB 3.29Å; I34-L38 WeakPolarHBondContact O-CB 3.42Å; I34-L38 VanDerWaalsContact O-CG 3.23Å; I34-L38 WeakPolarHBondContact O-CG 3.45Å; I34-L38 PolarHBondContact O-N 3.4Å; I34-L77 HydrophobicContact CG2-CD2 3.93Å; I34-L409 HydrophobicContact CG2-CD2 4.18Å; I34-L412 HydrophobicContact CD1-CB 4Å; I34-L412 WeakPolarHBondContact CD1-O 3.27Å; I34-L412 HydrophobicContact CG1-CB 3.7Å; I34-L412 HydrophobicContact CG1-CD1 4.35Å; I34-V413 HydrophobicContact CD1-CG2 4.34Å; I34-V413 HydrophobicContact CG2-CG2 4.04Å; I34-L416 HydrophobicContact CD1-CD1 3.86Å; I34-L416 HydrophobicContact CD1-CD2 4.17Å; I34-L416 HydrophobicContact CD1-CG 4.12Å
35V95.2Very high94.1Very high55 Ų5546 Ų4633%0.33326%0.255SS..Hα-helixtrans-63.4-44.5179.4-177.60000111.5P31 N32 K33 L38 N39 I81P31-V35 PolarHBondContact O-N 3.4Å; N32-V35 WeakPolarHBondContact O-CB 3.34Å; N32-V35 PolarHBondContact O-N 3.04Å; K33-V35 VanDerWaalsContact C-N 3.3Å; K33-V35 PolarHBondContact O-N 2.87Å; V35-L38 PolarHBondContact O-N 3.2Å; V35-N39 PolarHBondContact O-N 2.99Å; V35-N39 VanDerWaalsContact O-N 3.1Å; V35-N39 PolarHBondContact O-ND2 3.34Å; V35-I81 HydrophobicContact CG2-CD1 3.88Å
36E96.6Very high94.4Very high99 Ų9951.4 Ų51.446%0.46328%0.28SS..Hα-helixtrans-58.8-49.1175.9-69.7175.2-157.100111.8N32 K33 N39 V40N32-E36 PolarHBondContact O-N 3.11Å; K33-E36 WeakPolarHBondContact CD-OE2 3.38Å; K33-E36 IonicContact NZ-OE1 3.11Å; K33-E36 IonicContact NZ-OE2 3.36Å; K33-E36 PolarHBondContact NZ-OE2 3.5Å; K33-E36 PolarHBondContact O-N 3.35Å; E36-N39 WeakPolarHBondContact O-CB 3.33Å; E36-N39 PolarHBondContact O-N 3.3Å; E36-V40 PolarHBondContact O-N 2.78Å
37L97.9Very high94.7Very high10 Ų1054 Ų545%0.05229%0.289CS..Hα-helixtrans-69.1-34.4-178.8-69.9177.4000112.4K33 I34 N39 V40 L41 F388 L405 L409 L412K33-L37 WeakPolarHBondContact O-CB 3.5Å; K33-L37 VanDerWaalsContact O-CG 3.29Å; K33-L37 WeakPolarHBondContact O-CG 3.49Å; K33-L37 PolarHBondContact O-N 3.38Å; I34-L37 PolarHBondContact O-N 3.41Å; L37-N39 VanDerWaalsContact C-N 3.31Å; L37-N39 PolarHBondContact O-N 3.21Å; L37-V40 WeakPolarHBondContact O-CB 3.27Å; L37-V40 PolarHBondContact O-N 3.43Å; L37-L41 PolarHBondContact O-N 3.44Å; L37-F388 HydrophobicContact CD2-CD2 4.21Å; L37-F388 HydrophobicContact CD2-CE2 3.68Å; L37-L405 HydrophobicContact CB-CD1 4.21Å; L37-L405 HydrophobicContact CD1-CD1 4.4Å; L37-L405 HydrophobicContact CD2-CD1 4.01Å; L37-L405 HydrophobicContact CG-CD1 4.43Å; L37-L409 HydrophobicContact CB-CD1 4.44Å; L37-L409 HydrophobicContact CB-CD2 3.7Å; L37-L409 HydrophobicContact CB-CG 4.21Å; L37-L412 HydrophobicContact CD1-CD1 3.69Å
38L97.5Very high95.2Very high6 Ų650.3 Ų50.33%0.03127%0.269CS..Hα-helixtrans-60.1-41.4171.2-82.3170.7000111.5I34 V35 V40 L41 N42 F65 Y66 L69 I81 L409I34-L38 HydrophobicContact CG2-CD1 3.73Å; I34-L38 HydrophobicContact CG2-CG 4.21Å; I34-L38 VanDerWaalsContact O-CB 3.29Å; I34-L38 WeakPolarHBondContact O-CB 3.42Å; I34-L38 VanDerWaalsContact O-CG 3.23Å; I34-L38 WeakPolarHBondContact O-CG 3.45Å; I34-L38 PolarHBondContact O-N 3.4Å; V35-L38 PolarHBondContact O-N 3.2Å; L38-V40 VanDerWaalsContact C-N 3.28Å; L38-V40 PolarHBondContact O-N 2.73Å; L38-L41 PolarHBondContact O-N 3.04Å; L38-N42 VanDerWaalsContact O-CB 3.27Å; L38-N42 WeakPolarHBondContact O-CB 3.4Å; L38-N42 PolarHBondContact O-N 2.78Å; L38-N42 PolarHBondContact O-ND2 3.2Å; L38-F65 HydrophobicContact CD2-CE1 3.79Å; L38-F65 HydrophobicContact CD2-CZ 3.73Å; L38-Y66 HydrophobicContact CD2-CE1 4.39Å; L38-L69 HydrophobicContact CD1-CD1 4.45Å; L38-L69 HydrophobicContact CD1-CD2 4.21Å; L38-L69 HydrophobicContact CD2-CD2 3.77Å; L38-I81 HydrophobicContact CD1-CG2 3.75Å; L38-L409 HydrophobicContact CD2-CD1 4.12Å; L38-L409 HydrophobicContact CG-CD1 4.41Å; L38-L409 HydrophobicContact CG-CD2 4.16Å
39N96.7Very high95.4Very high93 Ų9351.9 Ų51.950%0.49728%0.282SS..Hα-helixtrans-61.8-38.7175.5-70.3-30.8000111.7V35 E36 L37 S43V35-N39 PolarHBondContact O-N 2.99Å; V35-N39 VanDerWaalsContact O-N 3.1Å; V35-N39 PolarHBondContact O-ND2 3.34Å; E36-N39 WeakPolarHBondContact O-CB 3.33Å; E36-N39 PolarHBondContact O-N 3.3Å; L37-N39 VanDerWaalsContact C-N 3.31Å; L37-N39 PolarHBondContact O-N 3.21Å; N39-S43 WeakPolarHBondContact O-CB 3.37Å; N39-S43 PolarHBondContact O-N 3.45Å; N39-S43 PolarHBondContact O-OG 3.02Å
40V97.6Very high95.3Very high48 Ų4850.8 Ų50.829%0.29127%0.274SS..Hα-helixtrans-63.8-47.7174.3179.50000110.9E36 L37 L38 S43 N44 F388 Y399 L405E36-V40 PolarHBondContact O-N 2.78Å; L37-V40 WeakPolarHBondContact O-CB 3.27Å; L37-V40 PolarHBondContact O-N 3.43Å; L38-V40 VanDerWaalsContact C-N 3.28Å; L38-V40 PolarHBondContact O-N 2.73Å; V40-S43 PolarHBondContact O-N 3.16Å; V40-N44 PolarHBondContact O-N 3.07Å; V40-N44 PolarHBondContact O-ND2 3.44Å; V40-F388 HydrophobicContact CG1-CE2 4.11Å; V40-F388 HydrophobicContact CG1-CZ 3.78Å; V40-F388 HydrophobicContact CG2-CE2 4.47Å; V40-Y399 HydrophobicContact CG1-CE1 4.44Å; V40-L405 HydrophobicContact CB-CD2 4.14Å; V40-L405 HydrophobicContact CG1-CD2 4.01Å
41L97.9Very high95.2Very high0 Ų055.8 Ų55.80%031%0.309CS..Hα-helixtrans-62.3-49.4178.9-173.960.8000111.3L37 L38 S43 N44 L45 V62 F65 Y66 Y399 L405 A406 L409L37-L41 PolarHBondContact O-N 3.44Å; L38-L41 PolarHBondContact O-N 3.04Å; L41-S43 VanDerWaalsContact C-N 3.29Å; L41-S43 PolarHBondContact O-N 3.02Å; L41-N44 CarbonylContact O-C 3.52Å; L41-N44 PolarHBondContact O-N 3.16Å; L41-L45 HydrophobicContact CD1-CD2 4.5Å; L41-L45 HydrophobicContact CG-CD2 4.28Å; L41-L45 WeakPolarHBondContact O-CG 3.46Å; L41-L45 PolarHBondContact O-N 3.41Å; L41-V62 HydrophobicContact CD2-CG1 4.42Å; L41-F65 HydrophobicContact CD2-CD1 3.79Å; L41-F65 HydrophobicContact CD2-CE1 3.69Å; L41-Y66 HydrophobicContact CD2-CE2 4.03Å; L41-Y66 HydrophobicContact CG-CE2 4.48Å; L41-Y66 WeakPolarHBondContact CG-OH 3.45Å; L41-Y399 HydrophobicContact CD1-CD1 3.99Å; L41-Y399 HydrophobicContact CD1-CG 4.25Å; L41-L405 HydrophobicContact CB-CD2 3.87Å; L41-L405 HydrophobicContact CD1-CD2 4.45Å; L41-A406 HydrophobicContact CD2-CB 4.13Å; L41-L409 HydrophobicContact CB-CD1 4.13Å; L41-L409 HydrophobicContact CD2-CD1 3.81Å
42N97.1Very high95.3Very high49 Ų4957.1 Ų57.126%0.26232%0.316SS..Hα-helixtrans-54.8-44.1179-72-22.5000111.8L38 N44 L45 Y66L38-N42 VanDerWaalsContact O-CB 3.27Å; L38-N42 WeakPolarHBondContact O-CB 3.4Å; L38-N42 PolarHBondContact O-N 2.78Å; L38-N42 PolarHBondContact O-ND2 3.2Å; N42-N44 PolarHBondContact O-N 3.5Å; N42-L45 PolarHBondContact O-N 3.44Å; N42-Y66 PolarHBondContact OD1-OH 3.25Å
43S96.9Very high95.5Very high93 Ų9352.6 Ų52.665%0.6529%0.291SS*.Hα-helixtrans-67.8-14.7-179.7-58.30000113.7N39 V40 L41N39-S43 WeakPolarHBondContact O-CB 3.37Å; N39-S43 PolarHBondContact O-N 3.45Å; N39-S43 PolarHBondContact O-OG 3.02Å; V40-S43 PolarHBondContact O-N 3.16Å; L41-S43 VanDerWaalsContact C-N 3.29Å; L41-S43 PolarHBondContact O-N 3.02Å
44N96.7Very high95.5Very high16 Ų1650.6 Ų50.69%0.08628%0.284CS..Hα-helixtrans-114.54-178-68.4-77.7000113.7V40 L41 N42 E46 K47 Y399V40-N44 PolarHBondContact O-N 3.07Å; V40-N44 PolarHBondContact O-ND2 3.44Å; L41-N44 CarbonylContact O-C 3.52Å; L41-N44 PolarHBondContact O-N 3.16Å; N42-N44 PolarHBondContact O-N 3.5Å; N44-E46 VanDerWaalsContact C-N 3.28Å; N44-E46 PolarHBondContact O-N 3.23Å; N44-K47 HydrophobicContact CB-CD 4.47Å; N44-K47 WeakPolarHBondContact O-CB 3.39Å; N44-K47 PolarHBondContact O-N 3.42Å; N44-K47 WeakPolarHBondContact OD1-CD 3.16Å; N44-K47 VanDerWaalsContact OD1-CE 3.31Å; N44-K47 WeakPolarHBondContact OD1-CE 3.13Å; N44-K47 PolarHBondContact OD1-NZ 3.28Å; N44-Y399 HydrophobicContact CB-CD1 4.16Å; N44-Y399 HydrophobicContact CB-CD2 4.02Å; N44-Y399 HydrophobicContact CB-CE1 3.73Å; N44-Y399 HydrophobicContact CB-CE2 3.58Å; N44-Y399 HydrophobicContact CB-CG 4.3Å; N44-Y399 VanDerWaalsContact CB-CZ 3.43Å; N44-Y399 PolarHBondContact ND2-OH 3.42Å; N44-Y399 PolarHBondContact OD1-OH 3.5Å
45L94.8Very high95.6Very high8 Ų850.6 Ų50.64%0.04228%0.284CS..G310 helixtrans-59.6-35179.8-67.8179.5000113.9L41 N42 K47 L48 V62 Y66 C88 R95L41-L45 HydrophobicContact CD1-CD2 4.5Å; L41-L45 HydrophobicContact CG-CD2 4.28Å; L41-L45 WeakPolarHBondContact O-CG 3.46Å; L41-L45 PolarHBondContact O-N 3.41Å; N42-L45 PolarHBondContact O-N 3.44Å; L45-K47 PolarHBondContact O-N 3.31Å; L45-L48 HydrophobicContact CD2-CD1 3.95Å; L45-L48 WeakPolarHBondContact O-CB 3.48Å; L45-L48 WeakPolarHBondContact O-CG 3.47Å; L45-L48 PolarHBondContact O-N 3.45Å; L45-V62 HydrophobicContact CD2-CG1 3.9Å; L45-Y66 HydrophobicContact CD1-CE2 4.13Å; L45-Y66 HydrophobicContact CD2-CE2 3.74Å; L45-C88 HydrophobicContact CD1-CB 4.48Å; L45-R95 PolarHBondContact O-NH1 2.99Å
46E92.1Very high95.8Very high127 Ų12749.2 Ų49.259%0.59327%0.273SS*.G310 helixtrans-69.2-21.6177-62.2-54.7151.500112.9N44 L48 K91N44-E46 VanDerWaalsContact C-N 3.28Å; N44-E46 PolarHBondContact O-N 3.23Å; E46-L48 VanDerWaalsContact C-N 3.34Å; E46-K91 WeakPolarHBondContact OE1-CE 3.4Å; E46-K91 IonicContact OE1-NZ 3.52Å; E46-K91 PolarHBondContact OE1-NZ 3.39Å
47K91.2Very high95.8Very high152 Ų15246 Ų4666%0.66126%0.26SS*.G310 helixtrans-83.5-12.1179.1-57-177.1-172.2166.50112.9N44 L45 S49N44-K47 HydrophobicContact CB-CD 4.47Å; N44-K47 WeakPolarHBondContact O-CB 3.39Å; N44-K47 PolarHBondContact O-N 3.42Å; N44-K47 WeakPolarHBondContact OD1-CD 3.16Å; N44-K47 VanDerWaalsContact OD1-CE 3.31Å; N44-K47 WeakPolarHBondContact OD1-CE 3.13Å; N44-K47 PolarHBondContact OD1-NZ 3.28Å; L45-K47 PolarHBondContact O-N 3.31Å; K47-S49 PolarHBondContact O-N 3.5Å
48L94.4Very high95.8Very high23 Ų2345.8 Ų45.812%0.1226%0.26CS..SBendtrans-62.3131.7175.9-61.5176.9000109.4L45 E46 S50 L59 V62 L92 R95 Y399L45-L48 HydrophobicContact CD2-CD1 3.95Å; L45-L48 WeakPolarHBondContact O-CB 3.48Å; L45-L48 WeakPolarHBondContact O-CG 3.47Å; L45-L48 PolarHBondContact O-N 3.45Å; E46-L48 VanDerWaalsContact C-N 3.34Å; L48-S50 PolarHBondContact O-N 3.18Å; L48-L59 HydrophobicContact CB-CD2 3.55Å; L48-L59 HydrophobicContact CD1-CD2 3.95Å; L48-L59 HydrophobicContact CG-CD2 4.41Å; L48-V62 HydrophobicContact CD1-CB 4.22Å; L48-V62 HydrophobicContact CD1-CG1 4.14Å; L48-V62 HydrophobicContact CD1-CG2 3.97Å; L48-L92 HydrophobicContact CD1-CD2 4.04Å; L48-R95 PolarHBondContact O-NH2 3.24Å; L48-Y399 HydrophobicContact CD2-CD2 4.35Å; L48-Y399 HydrophobicContact CD2-CG 4.44Å
49S92.9Very high95.8Very high66 Ų6645.6 Ų45.646%0.46226%0.259SS..  trans-63.1133.1178.4-175.70000110.9K47 S51K47-S49 PolarHBondContact O-N 3.5Å; S49-S51 PolarHBondContact O-N 3.02Å; S49-S51 PolarHBondContact OG-N 3.41Å; S49-S51 VanDerWaalsContact OG-N 3.13Å; S49-S51 PolarHBondContact OG-OG 2.75Å
50S91Very high95.9Very high41 Ų4141.1 Ų41.129%0.28724%0.235SC..THydrogen-bonded Turntrans-78-9.3171.5-56.90000113L48 R95 H99L48-S50 PolarHBondContact O-N 3.18Å; S50-R95 PolarHBondContact OG-NH2 3.33Å; S50-H99 PolarHBondContact O-CD2 2.65Å
51S91.7Very high95.9Very high104 Ų10438.9 Ų38.973%0.72722%0.221SC*.THydrogen-bonded Turntrans-79-22.3175.670.40000113.3S49S49-S51 PolarHBondContact O-N 3.02Å; S49-S51 PolarHBondContact OG-N 3.41Å; S49-S51 VanDerWaalsContact OG-N 3.13Å; S49-S51 PolarHBondContact OG-OG 2.75Å
52D96.3Very high96Very high42 Ų4238.9 Ų38.923%0.22522%0.221CC..  trans-105.198.9178.5-174.13.7000110.1S54 T57 G58 L59D52-S54 WeakPolarHBondContact OD1-CB 3.34Å; D52-S54 PolarHBondContact OD1-N 3.1Å; D52-S54 PolarHBondContact OD1-OG 3.3Å; D52-S54 PolarHBondContact OD2-OG 3.3Å; D52-T57 VanDerWaalsContact OD2-CB 3.26Å; D52-T57 WeakPolarHBondContact OD2-CB 3.41Å; D52-T57 PolarHBondContact OD2-OG1 2.96Å; D52-G58 VanDerWaalsContact CG-CA 3.41Å; D52-G58 CarbonylContact O-C 3.51Å; D52-G58 WeakPolarHBondContact O-CA 3.49Å; D52-G58 WeakPolarHBondContact OD2-CA 3.14Å; D52-G58 PolarHBondContact OD2-N 3.12Å; D52-L59 PolarHBondContact O-N 3.03Å
53I97.3Very high96Very high22 Ų2236.5 Ų36.511%0.11321%0.209CC..  trans-94.75.917667.6177.3000112.4S60 C96 H99 I100 P118I53-S60 WeakPolarHBondContact O-CB 3.38Å; I53-S60 PolarHBondContact O-OG 2.91Å; I53-S60 VanDerWaalsContact O-OG 3.06Å; I53-C96 HydrophobicContact CB-CB 4.34Å; I53-C96 HydrophobicContact CG2-CB 4.36Å; I53-H99 HydrophobicContact CG2-CB 3.89Å; I53-I100 HydrophobicContact CD1-CB 4.36Å; I53-I100 HydrophobicContact CD1-CG1 4.28Å; I53-P118 HydrophobicContact CB-CG 3.99Å; I53-P118 HydrophobicContact CD1-CG 4.06Å; I53-P118 HydrophobicContact CG1-CG 4.05Å; I53-P118 WeakPolarHBondContact O-CD 3.36Å; I53-P118 WeakPolarHBondContact O-CG 3.41Å
54S97.8Very high96.1Very high9 Ų932.6 Ų32.66%0.06318%0.18CC..  trans-64.9156.2-174.870.80000112.5D52 Y56 T57 G58 S60 G61 Y112D52-S54 WeakPolarHBondContact OD1-CB 3.34Å; D52-S54 PolarHBondContact OD1-N 3.1Å; D52-S54 PolarHBondContact OD1-OG 3.3Å; D52-S54 PolarHBondContact OD2-OG 3.3Å; S54-Y56 VanDerWaalsContact C-N 3.29Å; S54-T57 PolarHBondContact OG-N 3.01Å; S54-T57 VanDerWaalsContact OG-N 3.11Å; S54-T57 PolarHBondContact OG-OG1 2.95Å; S54-G58 CarbonylContact O-C 3.32Å; S54-G58 WeakPolarHBondContact O-CA 3.12Å; S54-G58 PolarHBondContact O-N 2.82Å; S54-G58 VanDerWaalsContact O-N 3.08Å; S54-G58 PolarHBondContact OG-N 3.1Å; S54-S60 PolarHBondContact O-OG 3.37Å; S54-G61 PolarHBondContact O-N 2.95Å; S54-Y112 WeakPolarHBondContact CB-O 3.29Å
55M98Very high96.2Very high0 Ų031.8 Ų31.80%018%0.176CC..SBendtrans-76.3-23.7170.9-156.983.689.500111.7S60 G61 L64 V111 Y112 G117 C120 L401 L425M55-S60 WeakPolarHBondContact CA-OG 3.42Å; M55-S60 PolarHBondContact N-OG 2.91Å; M55-S60 VanDerWaalsContact N-OG 3.1Å; M55-S60 PolarHBondContact SD-OG 3.19Å; M55-S60 VanDerWaalsContact SD-OG 3.35Å; M55-G61 WeakPolarHBondContact O-CA 3.2Å; M55-L64 HydrophobicContact CE-CD2 4.27Å; M55-L64 HydrophobicContact CG-CD2 4.16Å; M55-L64 HydrophobicContact SD-CB 3.79Å; M55-L64 HydrophobicContact SD-CD2 3.98Å; M55-L64 HydrophobicContact SD-CG 4.43Å; M55-V111 WeakPolarHBondContact CB-O 3.24Å; M55-V111 HydrophobicContact CE-CG2 4.05Å; M55-Y112 PolarHBondContact N-O 3.05Å; M55-G117 WeakPolarHBondContact CE-O 3.49Å; M55-C120 HydrophobicContact CE-CB 4.12Å; M55-L401 HydrophobicContact CG-CD2 4.24Å; M55-L425 HydrophobicContact CG-CD1 4.01Å
56Y98.4Very high96.3Very high26 Ų2631.4 Ų31.410%0.10217%0.174CC..SBendtrans-74.1-61.9-176.5-170.4-88.9000111.5S54 Y112 L162 C351 M402 E403S54-Y56 VanDerWaalsContact C-N 3.29Å; Y56-Y112 WeakPolarHBondContact CB-O 3.41Å; Y56-Y112 HydrophobicContact CD2-CD1 4.22Å; Y56-Y112 PolarHBondContact N-O 2.88Å; Y56-L162 HydrophobicContact CD2-CD1 4.16Å; Y56-L162 HydrophobicContact CD2-CD2 3.83Å; Y56-L162 HydrophobicContact CE2-CD1 3.74Å; Y56-L162 HydrophobicContact CE2-CD2 3.97Å; Y56-C351 HydrophobicContact CE2-CB 4.34Å; Y56-C351 WeakPolarHBondContact OH-CB 3.23Å; Y56-C351 PolarHBondContact OH-SG 3.35Å; Y56-M402 HydrophobicContact CD1-CB 4.12Å; Y56-M402 HydrophobicContact CD2-CB 3.63Å; Y56-M402 HydrophobicContact CD2-CE 4.36Å; Y56-M402 HydrophobicContact CD2-CG 3.44Å; Y56-M402 VanDerWaalsContact CD2-CG 3.44Å; Y56-M402 HydrophobicContact CE1-CB 4.04Å; Y56-M402 HydrophobicContact CE2-CB 3.55Å; Y56-M402 HydrophobicContact CE2-CE 4.08Å; Y56-M402 HydrophobicContact CE2-CG 3.79Å; Y56-M402 HydrophobicContact CG-CB 3.88Å; Y56-M402 HydrophobicContact CG-CG 3.87Å; Y56-M402 WeakPolarHBondContact O-CB 3.34Å; Y56-M402 PolarHBondContact O-N 3.38Å; Y56-E403 HydrophobicContact CE1-CG 4.12Å
57T97.7Very high96.5Very high32 Ų3226 Ų2620%0.19615%0.149CC..SBendtrans-111.4-16-176.943.50000114D52 S54 C397 S400 E403D52-T57 VanDerWaalsContact OD2-CB 3.26Å; D52-T57 WeakPolarHBondContact OD2-CB 3.41Å; D52-T57 PolarHBondContact OD2-OG1 2.96Å; S54-T57 PolarHBondContact OG-N 3.01Å; S54-T57 VanDerWaalsContact OG-N 3.11Å; S54-T57 PolarHBondContact OG-OG1 2.95Å; T57-C397 HydrophobicContact CG2-CB 3.86Å; T57-S400 VanDerWaalsContact CA-CB 3.48Å; T57-S400 WeakPolarHBondContact O-CB 3.49Å; T57-E403 HydrophobicContact CG2-CG 4.22Å
58G97.5Very high96.8Very high5 Ų520.7 Ų20.75%0.05213%0.126CC..SBendtrans-100.7-165.5-165.100000116.4D52 S54 S60 G61 V62D52-G58 VanDerWaalsContact CG-CA 3.41Å; D52-G58 CarbonylContact O-C 3.51Å; D52-G58 WeakPolarHBondContact O-CA 3.49Å; D52-G58 WeakPolarHBondContact OD2-CA 3.14Å; D52-G58 PolarHBondContact OD2-N 3.12Å; S54-G58 CarbonylContact O-C 3.32Å; S54-G58 WeakPolarHBondContact O-CA 3.12Å; S54-G58 PolarHBondContact O-N 2.82Å; S54-G58 VanDerWaalsContact O-N 3.08Å; S54-G58 PolarHBondContact OG-N 3.1Å; G58-S60 PolarHBondContact O-N 3.35Å; G58-G61 PolarHBondContact O-N 3.41Å; G58-V62 PolarHBondContact O-N 3.06Å
59L98.2Very high96.8Very high1 Ų119.6 Ų19.61%0.00512%0.121CC..Hα-helixtrans-59.9-40.3-174.8-66178.4000113.6L48 D52 G61 V62 G63 L92 R95 C96L48-L59 HydrophobicContact CB-CD2 3.55Å; L48-L59 HydrophobicContact CD1-CD2 3.95Å; L48-L59 HydrophobicContact CG-CD2 4.41Å; D52-L59 PolarHBondContact O-N 3.03Å; L59-G61 VanDerWaalsContact C-N 3.29Å; L59-G61 PolarHBondContact O-N 3.05Å; L59-V62 PolarHBondContact O-N 3.21Å; L59-G63 PolarHBondContact O-N 3.05Å; L59-L92 HydrophobicContact CD2-CD2 3.79Å; L59-R95 HydrophobicContact CD1-CB 3.66Å; L59-C96 WeakPolarHBondContact CB-SG 3.5Å
60S98.2Very high96.9Very high0 Ų017.8 Ų17.80%011%0.108CC..Hα-helixtrans-70.3-30.4-176.575.60000111.5I53 S54 M55 G58 G63 L64I53-S60 WeakPolarHBondContact O-CB 3.38Å; I53-S60 PolarHBondContact O-OG 2.91Å; I53-S60 VanDerWaalsContact O-OG 3.06Å; S54-S60 PolarHBondContact O-OG 3.37Å; M55-S60 WeakPolarHBondContact CA-OG 3.42Å; M55-S60 PolarHBondContact N-OG 2.91Å; M55-S60 VanDerWaalsContact N-OG 3.1Å; M55-S60 PolarHBondContact SD-OG 3.19Å; M55-S60 VanDerWaalsContact SD-OG 3.35Å; G58-S60 PolarHBondContact O-N 3.35Å; S60-G63 CarbonylContact O-C 3.59Å; S60-G63 PolarHBondContact O-N 3.3Å; S60-L64 PolarHBondContact O-N 2.9Å
61G98.5Very high96.9Very high0 Ų020.2 Ų20.20%011%0.114CC..Hα-helixtrans-65.2-45.7175.700000112.2S54 M55 G58 L59 G63 L64 F65S54-G61 PolarHBondContact O-N 2.95Å; M55-G61 WeakPolarHBondContact O-CA 3.2Å; G58-G61 PolarHBondContact O-N 3.41Å; L59-G61 VanDerWaalsContact C-N 3.29Å; L59-G61 PolarHBondContact O-N 3.05Å; G61-G63 VanDerWaalsContact C-N 3.28Å; G61-G63 PolarHBondContact O-N 3.08Å; G61-L64 WeakPolarHBondContact O-CB 3.48Å; G61-L64 PolarHBondContact O-N 3.45Å; G61-F65 PolarHBondContact O-N 3.37Å; G61-F65 VanDerWaalsContact O-N 3.15Å
62V98.6Very high96.9Very high0 Ų016 Ų160%09%0.085CC..Hα-helixtrans-63.2-39.1173.3-175.70000110.4L41 L45 L48 G58 L59 L64 F65 Y66 L92 Y399 A406L41-V62 HydrophobicContact CD2-CG1 4.42Å; L45-V62 HydrophobicContact CD2-CG1 3.9Å; L48-V62 HydrophobicContact CD1-CB 4.22Å; L48-V62 HydrophobicContact CD1-CG1 4.14Å; L48-V62 HydrophobicContact CD1-CG2 3.97Å; G58-V62 PolarHBondContact O-N 3.06Å; L59-V62 PolarHBondContact O-N 3.21Å; V62-L64 PolarHBondContact O-N 2.64Å; V62-F65 WeakPolarHBondContact O-CB 3.21Å; V62-F65 PolarHBondContact O-N 3.07Å; V62-Y66 HydrophobicContact CG1-CD2 3.98Å; V62-Y66 HydrophobicContact CG1-CE2 3.68Å; V62-Y66 VanDerWaalsContact O-CD2 3.27Å; V62-Y66 WeakPolarHBondContact O-CD2 3.26Å; V62-Y66 PolarHBondContact O-N 3.44Å; V62-Y66 VanDerWaalsContact O-N 3.12Å; V62-L92 HydrophobicContact CB-CD1 4.04Å; V62-L92 HydrophobicContact CG1-CD1 3.73Å; V62-Y399 WeakPolarHBondContact CG2-O 3.5Å; V62-A406 HydrophobicContact CG1-CB 4.47Å; V62-A406 HydrophobicContact CG2-CB 4.27Å
63G98.3Very high96.4Very high0 Ų023.4 Ų23.40%012%0.115CC..Hα-helixtrans-61.2-40.6174.100000112.9L59 S60 G61 F65 Y66 N67L59-G63 PolarHBondContact O-N 3.05Å; S60-G63 CarbonylContact O-C 3.59Å; S60-G63 PolarHBondContact O-N 3.3Å; G61-G63 VanDerWaalsContact C-N 3.28Å; G61-G63 PolarHBondContact O-N 3.08Å; G63-F65 VanDerWaalsContact C-N 3.32Å; G63-F65 PolarHBondContact O-N 3.16Å; G63-Y66 PolarHBondContact O-N 2.63Å; G63-N67 WeakPolarHBondContact O-CB 3.41Å; G63-N67 PolarHBondContact O-N 3.11Å
64L98.1Very high95.8Very high10 Ų1023.5 Ų23.55%0.05212%0.118CC..Hα-helixtrans-62.1-40.3176.3-177.865.4000111.5M55 S60 G61 V62 N67 F68 L121 L124 L401 P424 L425M55-L64 HydrophobicContact CE-CD2 4.27Å; M55-L64 HydrophobicContact CG-CD2 4.16Å; M55-L64 HydrophobicContact SD-CB 3.79Å; M55-L64 HydrophobicContact SD-CD2 3.98Å; M55-L64 HydrophobicContact SD-CG 4.43Å; S60-L64 PolarHBondContact O-N 2.9Å; G61-L64 WeakPolarHBondContact O-CB 3.48Å; G61-L64 PolarHBondContact O-N 3.45Å; V62-L64 PolarHBondContact O-N 2.64Å; L64-N67 PolarHBondContact O-N 3.3Å; L64-F68 WeakPolarHBondContact O-CB 3.46Å; L64-F68 PolarHBondContact O-N 3.37Å; L64-L121 HydrophobicContact CB-CD1 4.44Å; L64-L124 HydrophobicContact CD1-CD1 3.86Å; L64-L401 HydrophobicContact CD2-CD2 3.9Å; L64-P424 HydrophobicContact CD2-CB 4.3Å; L64-L425 HydrophobicContact CD2-CD2 4.36Å; L64-L425 HydrophobicContact CD2-CG 4.27Å
65F98.3Very high95.2Very high0 Ų032.1 Ų32.10%016%0.157CC..Hα-helixtrans-59.8-48.7172.4162.9-106.6000112.2L38 L41 G61 V62 G63 N67 F68 L69 L401 A406 L409 Y410 V413L38-F65 HydrophobicContact CD2-CE1 3.79Å; L38-F65 HydrophobicContact CD2-CZ 3.73Å; L41-F65 HydrophobicContact CD2-CD1 3.79Å; L41-F65 HydrophobicContact CD2-CE1 3.69Å; G61-F65 PolarHBondContact O-N 3.37Å; G61-F65 VanDerWaalsContact O-N 3.15Å; V62-F65 WeakPolarHBondContact O-CB 3.21Å; V62-F65 PolarHBondContact O-N 3.07Å; G63-F65 VanDerWaalsContact C-N 3.32Å; G63-F65 PolarHBondContact O-N 3.16Å; F65-N67 VanDerWaalsContact C-N 3.28Å; F65-N67 PolarHBondContact O-N 2.93Å; F65-F68 WeakPolarHBondContact O-CB 3.38Å; F65-F68 PolarHBondContact O-N 3.3Å; F65-L69 HydrophobicContact CE2-CB 4.5Å; F65-L69 HydrophobicContact CZ-CB 4.41Å; F65-L69 HydrophobicContact CZ-CD2 4.32Å; F65-L69 PolarHBondContact O-N 3.43Å; F65-L401 HydrophobicContact CB-CD1 4.36Å; F65-A406 HydrophobicContact CB-CB 4.11Å; F65-A406 HydrophobicContact CD1-CB 4.26Å; F65-A406 HydrophobicContact CG-CB 4.24Å; F65-L409 HydrophobicContact CD2-CB 4.2Å; F65-L409 HydrophobicContact CE1-CB 4.15Å; F65-L409 HydrophobicContact CE1-CD1 4.02Å; F65-L409 HydrophobicContact CE2-CB 3.47Å; F65-L409 VanDerWaalsContact CE2-CB 3.47Å; F65-L409 HydrophobicContact CZ-CB 3.44Å; F65-L409 VanDerWaalsContact CZ-CB 3.44Å; F65-L409 HydrophobicContact CZ-CD1 3.93Å; F65-L409 HydrophobicContact CZ-CG 4.19Å; F65-Y410 HydrophobicContact CB-CD2 4.25Å; F65-Y410 HydrophobicContact CD2-CD2 4.15Å; F65-Y410 HydrophobicContact CD2-CG 4.49Å; F65-V413 HydrophobicContact CE2-CG2 4.22Å
66Y98.1Very high94.6Very high0 Ų035.8 Ų35.80%018%0.176CC..Hα-helixtrans-65.7-32.9178.7-78.6-68.6000112.9L38 L41 N42 L45 V62 G63 L69 S70 G85 C88 T89 L92L38-Y66 HydrophobicContact CD2-CE1 4.39Å; L41-Y66 HydrophobicContact CD2-CE2 4.03Å; L41-Y66 HydrophobicContact CG-CE2 4.48Å; L41-Y66 WeakPolarHBondContact CG-OH 3.45Å; N42-Y66 PolarHBondContact OD1-OH 3.25Å; L45-Y66 HydrophobicContact CD1-CE2 4.13Å; L45-Y66 HydrophobicContact CD2-CE2 3.74Å; V62-Y66 HydrophobicContact CG1-CD2 3.98Å; V62-Y66 HydrophobicContact CG1-CE2 3.68Å; V62-Y66 VanDerWaalsContact O-CD2 3.27Å; V62-Y66 WeakPolarHBondContact O-CD2 3.26Å; V62-Y66 PolarHBondContact O-N 3.44Å; V62-Y66 VanDerWaalsContact O-N 3.12Å; G63-Y66 PolarHBondContact O-N 2.63Å; Y66-L69 HydrophobicContact CD1-CD2 4.06Å; Y66-L69 HydrophobicContact CE1-CD2 4.44Å; Y66-L69 PolarHBondContact O-N 3.4Å; Y66-S70 WeakPolarHBondContact O-CB 3.31Å; Y66-S70 PolarHBondContact O-N 3.42Å; Y66-G85 WeakPolarHBondContact CB-O 3.35Å; Y66-C88 HydrophobicContact CD1-CB 3.63Å; Y66-C88 HydrophobicContact CD2-CB 3.64Å; Y66-C88 HydrophobicContact CE1-CB 3.88Å; Y66-C88 HydrophobicContact CE2-CB 3.92Å; Y66-C88 HydrophobicContact CG-CB 3.49Å; Y66-C88 VanDerWaalsContact CG-CB 3.49Å; Y66-T89 VanDerWaalsContact CB-OG1 3.3Å; Y66-T89 WeakPolarHBondContact CB-OG1 3.45Å; Y66-L92 HydrophobicContact CD2-CD1 3.76Å; Y66-L92 HydrophobicContact CE2-CD1 4.12Å
67N96.6Very high94.1Very high12 Ų1234.6 Ų34.66%0.06417%0.172CC..Hα-helixtrans-63.1-47.2172.8-176.372000110.3G63 L64 F65 L69 S70 Q71 T89 L121G63-N67 WeakPolarHBondContact O-CB 3.41Å; G63-N67 PolarHBondContact O-N 3.11Å; L64-N67 PolarHBondContact O-N 3.3Å; F65-N67 VanDerWaalsContact C-N 3.28Å; F65-N67 PolarHBondContact O-N 2.93Å; N67-L69 PolarHBondContact O-N 3.46Å; N67-S70 PolarHBondContact O-N 2.8Å; N67-S70 PolarHBondContact O-OG 3.41Å; N67-Q71 PolarHBondContact ND2-NE2 2.58Å; N67-Q71 WeakPolarHBondContact O-CG 3.36Å; N67-Q71 PolarHBondContact O-N 3.05Å; N67-T89 WeakPolarHBondContact CA-OG1 3.12Å; N67-T89 HydrophobicContact CB-CG2 3.92Å; N67-T89 PolarHBondContact N-OG1 3.16Å; N67-L121 HydrophobicContact CB-CD1 4.2Å
68F96Very high93.7Very high42 Ų4237.1 Ų37.118%0.18418%0.184CC..Hα-helixtrans-58.9-46.4174.3172.3-114.1000112.4L64 F65 S70 Q71 C72 Y410 V413L64-F68 WeakPolarHBondContact O-CB 3.46Å; L64-F68 PolarHBondContact O-N 3.37Å; F65-F68 WeakPolarHBondContact O-CB 3.38Å; F65-F68 PolarHBondContact O-N 3.3Å; F68-S70 VanDerWaalsContact C-N 3.29Å; F68-S70 PolarHBondContact O-N 2.78Å; F68-Q71 PolarHBondContact O-N 3.34Å; F68-Q71 VanDerWaalsContact O-N 3.13Å; F68-C72 PolarHBondContact O-N 3.06Å; F68-Y410 HydrophobicContact CB-CD2 4.18Å; F68-Y410 HydrophobicContact CB-CE2 3.55Å; F68-Y410 HydrophobicContact CD1-CD1 4.21Å; F68-Y410 AromaticContact CD1-CD2 3.76Å; F68-Y410 HydrophobicContact CD1-CD2 3.76Å; F68-Y410 HydrophobicContact CD1-CE1 4.11Å; F68-Y410 AromaticContact CD1-CE2 3.67Å; F68-Y410 HydrophobicContact CD1-CE2 3.67Å; F68-Y410 HydrophobicContact CD1-CG 4.02Å; F68-Y410 AromaticContact CD1-CZ 3.84Å; F68-Y410 HydrophobicContact CD2-CE2 4.32Å; F68-Y410 AromaticContact CD2-CZ 3.99Å; F68-Y410 HydrophobicContact CE1-CD1 4.14Å; F68-Y410 HydrophobicContact CE1-CD2 4.47Å; F68-Y410 HydrophobicContact CE1-CE1 4.09Å; F68-Y410 HydrophobicContact CE1-CE2 4.45Å; F68-Y410 HydrophobicContact CE1-CG 4.31Å; F68-Y410 WeakPolarHBondContact CE1-O 3.4Å; F68-Y410 HydrophobicContact CG-CD2 4.14Å; F68-Y410 HydrophobicContact CG-CE1 4.35Å; F68-Y410 AromaticContact CG-CE2 3.58Å; F68-Y410 HydrophobicContact CG-CE2 3.58Å; F68-Y410 AromaticContact CG-CZ 3.69Å; F68-Y410 HydrophobicContact CZ-CE1 4.34Å; F68-V413 HydrophobicContact CD1-CB 4.46Å; F68-V413 HydrophobicContact CD1-CG1 4.15Å; F68-V413 HydrophobicContact CE1-CB 3.81Å; F68-V413 HydrophobicContact CE1-CG1 3.55Å; F68-V413 HydrophobicContact CZ-CG1 4.14Å
69L96.2Very high93.4Very high0 Ų045.2 Ų45.20%021%0.213CC..Hα-helixtrans-56.7-43.2175.5178.868.4000111.8L38 F65 Y66 N67 Q71 C72 L77 I81 V413L38-L69 HydrophobicContact CD1-CD1 4.45Å; L38-L69 HydrophobicContact CD1-CD2 4.21Å; L38-L69 HydrophobicContact CD2-CD2 3.77Å; F65-L69 HydrophobicContact CE2-CB 4.5Å; F65-L69 HydrophobicContact CZ-CB 4.41Å; F65-L69 HydrophobicContact CZ-CD2 4.32Å; F65-L69 PolarHBondContact O-N 3.43Å; Y66-L69 HydrophobicContact CD1-CD2 4.06Å; Y66-L69 HydrophobicContact CE1-CD2 4.44Å; Y66-L69 PolarHBondContact O-N 3.4Å; N67-L69 PolarHBondContact O-N 3.46Å; L69-Q71 PolarHBondContact O-N 3.01Å; L69-C72 WeakPolarHBondContact O-CB 3.36Å; L69-C72 PolarHBondContact O-N 3.12Å; L69-L77 HydrophobicContact CD1-CD1 3.83Å; L69-I81 HydrophobicContact CD1-CG2 4.01Å; L69-I81 HydrophobicContact CD2-CG2 3.93Å; L69-I81 HydrophobicContact CG-CG2 4.21Å; L69-V413 HydrophobicContact CD1-CG1 4.35Å; L69-V413 HydrophobicContact CD1-CG2 3.91Å
70S94.5Very high93.1Very high27 Ų2753 Ų5319%0.18925%0.246CC..Hα-helixtrans-64.4-26.6-179.378.20000113.6Y66 N67 F68Y66-S70 WeakPolarHBondContact O-CB 3.31Å; Y66-S70 PolarHBondContact O-N 3.42Å; N67-S70 PolarHBondContact O-N 2.8Å; N67-S70 PolarHBondContact O-OG 3.41Å; F68-S70 VanDerWaalsContact C-N 3.29Å; F68-S70 PolarHBondContact O-N 2.78Å
71Q91.2Very high92.9Very high92 Ų9254.1 Ų54.143%0.4325%0.253SS..Hα-helixtrans-91.5-9.5-179.1-65.4177.6-1.300113.3N67 F68 L69 K73N67-Q71 PolarHBondContact ND2-NE2 2.58Å; N67-Q71 WeakPolarHBondContact O-CG 3.36Å; N67-Q71 PolarHBondContact O-N 3.05Å; F68-Q71 PolarHBondContact O-N 3.34Å; F68-Q71 VanDerWaalsContact O-N 3.13Å; L69-Q71 PolarHBondContact O-N 3.01Å; Q71-K73 PolarHBondContact O-N 3.28Å
72C90.5Very high92.7Very high17 Ų1757 Ų5712%0.11526%0.264CS..  trans-60128.5179.5-174.20000110.7F68 L69 C74 L77 R82 V413F68-C72 PolarHBondContact O-N 3.06Å; L69-C72 WeakPolarHBondContact O-CB 3.36Å; L69-C72 PolarHBondContact O-N 3.12Å; C72-C74 VanDerWaalsContact SG-CB 3.58Å; C72-L77 HydrophobicContact CB-CD1 4.41Å; C72-R82 WeakPolarHBondContact O-CD 3.27Å; C72-V413 HydrophobicContact CB-CG1 4.19Å
73K86.4Confident92.4Very high196 Ų19661.7 Ų61.785%0.85229%0.285SS*.  trans-95.8-0.1178.8-63.6-178.5-176.4172.30113.4Q71 E75Q71-K73 PolarHBondContact O-N 3.28Å; K73-E75 PolarHBondContact O-N 3.01Å
74C85Confident92.2Very high25 Ų2564.9 Ų64.917%0.16930%0.302CS..  trans-66.6126.3-178.4-171.60000110.6C72 L76 L77 R82 L416C72-C74 VanDerWaalsContact SG-CB 3.58Å; C74-L76 PolarHBondContact O-N 2.72Å; C74-L77 PolarHBondContact O-N 3.22Å; C74-R82 PolarHBondContact O-NH1 2.6Å; C74-L416 HydrophobicContact CB-CB 4.21Å; C74-L416 HydrophobicContact CB-CD1 4.32Å
75E85.3Confident92.1Very high190 Ų19064.4 Ų64.489%0.88830%0.3SS*.THydrogen-bonded Turntrans-68.3-18.7-179.5-63.1-175.1168.200113K73 L77K73-E75 PolarHBondContact O-N 3.01Å; E75-L77 PolarHBondContact O-N 2.96Å
76L85.5Confident91.9Very high77 Ų7766.7 Ų66.740%0.40331%0.314SS..THydrogen-bonded Turntrans-67.6-19.2176.1-59.5174.2000113.1E26 P31 C74 L416E26-L76 HydrophobicContact CB-CD1 3.83Å; E26-L76 HydrophobicContact CB-CD2 4.48Å; P31-L76 HydrophobicContact CB-CB 4.29Å; P31-L76 HydrophobicContact CG-CB 4.48Å; P31-L76 HydrophobicContact CG-CD1 3.86Å; C74-L76 PolarHBondContact O-N 2.72Å; L76-L416 HydrophobicContact CD1-CD2 4.41Å
77L87.8Confident91.8Very high1 Ų169.2 Ų69.21%0.00533%0.334CS..SBendtrans-100121.9170.8-61.8179.9000108.1I34 L69 C72 C74 E75 R82 V413 L416I34-L77 HydrophobicContact CG2-CD2 3.93Å; L69-L77 HydrophobicContact CD1-CD1 3.83Å; C72-L77 HydrophobicContact CB-CD1 4.41Å; C74-L77 PolarHBondContact O-N 3.22Å; E75-L77 PolarHBondContact O-N 2.96Å; L77-R82 PolarHBondContact O-NH1 3.22Å; L77-V413 HydrophobicContact CD1-CG1 4.11Å; L77-V413 HydrophobicContact CD1-CG2 4.28Å; L77-L416 HydrophobicContact CD1-CD1 3.79Å; L77-L416 HydrophobicContact CD2-CD1 4.23Å; L77-L416 HydrophobicContact CG-CD1 3.8Å
78D88.3Confident91.9Very high85 Ų8569 Ų6946%0.45533%0.334SS..  trans-66161.2-17876.338.6000111.9K80 I81 R82D78-K80 VanDerWaalsContact C-N 3.25Å; D78-K80 PolarHBondContact O-N 2.87Å; D78-K80 WeakPolarHBondContact OD1-CA 3.14Å; D78-K80 VanDerWaalsContact OD1-CB 3.32Å; D78-K80 WeakPolarHBondContact OD1-CB 3.33Å; D78-K80 PolarHBondContact OD1-N 3.42Å; D78-I81 PolarHBondContact O-N 3.17Å; D78-I81 WeakPolarHBondContact OD1-CG1 3.3Å; D78-I81 PolarHBondContact OD1-N 3.32Å; D78-R82 PolarHBondContact O-N 3.19Å
79R91.1Very high91.9Very high174 Ų17467.1 Ų67.166%0.65733%0.326SS*.Hα-helixtrans-61.3-34-180179177168.6175.7-2.5112.7R82 E83R79-R82 PolarHBondContact O-N 3.09Å; R79-E83 HydrophobicContact CG-CG 4.35Å; R79-E83 IonicContact CZ-OE1 2.94Å; R79-E83 IonicContact NE-OE1 3.32Å; R79-E83 PolarHBondContact NE-OE1 3.4Å; R79-E83 IonicContact NH2-OE1 2.91Å; R79-E83 PolarHBondContact NH2-OE1 3.43Å; R79-E83 VanDerWaalsContact NH2-OE1 3.11Å; R79-E83 WeakPolarHBondContact O-CG 3.46Å; R79-E83 PolarHBondContact O-N 2.95Å
80K93.2Very high91.9Very high164 Ų16471 Ų7171%0.71334%0.344SS*.Hα-helixtrans-68.8-37.1-177.1-176.8-178.4177.7-1770111.3D78 R82 E83 N84D78-K80 VanDerWaalsContact C-N 3.25Å; D78-K80 PolarHBondContact O-N 2.87Å; D78-K80 WeakPolarHBondContact OD1-CA 3.14Å; D78-K80 VanDerWaalsContact OD1-CB 3.32Å; D78-K80 WeakPolarHBondContact OD1-CB 3.33Å; D78-K80 PolarHBondContact OD1-N 3.42Å; K80-R82 VanDerWaalsContact C-N 3.32Å; K80-E83 PolarHBondContact O-N 3.45Å; K80-N84 WeakPolarHBondContact O-CB 3.3Å; K80-N84 PolarHBondContact O-N 3.11Å
81I94.1Very high91.9Very high25 Ų2574 Ų7413%0.12835%0.354CS..Hα-helixtrans-59.9-44.8173.3-71.4167.8000110.1V35 L38 L69 D78 N84 G85V35-I81 HydrophobicContact CG2-CD1 3.88Å; L38-I81 HydrophobicContact CD1-CG2 3.75Å; L69-I81 HydrophobicContact CD1-CG2 4.01Å; L69-I81 HydrophobicContact CD2-CG2 3.93Å; L69-I81 HydrophobicContact CG-CG2 4.21Å; D78-I81 PolarHBondContact O-N 3.17Å; D78-I81 WeakPolarHBondContact OD1-CG1 3.3Å; D78-I81 PolarHBondContact OD1-N 3.32Å; I81-N84 PolarHBondContact O-N 2.74Å; I81-G85 PolarHBondContact O-N 2.83Å
82R93Very high92.3Very high61 Ų6169.7 Ų69.723%0.2333%0.334CS..Hα-helixtrans-67.3-43178.6-63.6-167.8-66.3-92.1-6.1112.7C72 C74 L77 D78 R79 K80 N84 G85 V86C72-R82 WeakPolarHBondContact O-CD 3.27Å; C74-R82 PolarHBondContact O-NH1 2.6Å; L77-R82 PolarHBondContact O-NH1 3.22Å; D78-R82 PolarHBondContact O-N 3.19Å; R79-R82 PolarHBondContact O-N 3.09Å; K80-R82 VanDerWaalsContact C-N 3.32Å; R82-N84 VanDerWaalsContact C-N 3.33Å; R82-N84 PolarHBondContact O-N 3.41Å; R82-G85 WeakPolarHBondContact O-CA 3.42Å; R82-G85 PolarHBondContact O-N 2.84Å; R82-V86 PolarHBondContact O-N 3.26Å; R82-V86 VanDerWaalsContact O-N 3.09Å
83E93.3Very high92.6Very high98 Ų9869.3 Ų69.346%0.45833%0.33SS..Hα-helixtrans-61.8-40.7174.9-73.5173.3171.900111.5R79 K80 G85 V86 A87R79-E83 HydrophobicContact CG-CG 4.35Å; R79-E83 IonicContact CZ-OE1 2.94Å; R79-E83 IonicContact NE-OE1 3.32Å; R79-E83 PolarHBondContact NE-OE1 3.4Å; R79-E83 IonicContact NH2-OE1 2.91Å; R79-E83 PolarHBondContact NH2-OE1 3.43Å; R79-E83 VanDerWaalsContact NH2-OE1 3.11Å; R79-E83 WeakPolarHBondContact O-CG 3.46Å; R79-E83 PolarHBondContact O-N 2.95Å; K80-E83 PolarHBondContact O-N 3.45Å; E83-G85 VanDerWaalsContact C-N 3.27Å; E83-G85 PolarHBondContact O-N 2.89Å; E83-V86 WeakPolarHBondContact O-CB 3.48Å; E83-V86 PolarHBondContact O-N 2.94Å; E83-A87 PolarHBondContact O-N 3.41Å
84N94.3Very high93Very high66 Ų6664 Ų6435%0.35331%0.311SS..Hα-helixtrans-62.4-34.9171.1-177.269.1000112.1K80 I81 R82 A87 C88K80-N84 WeakPolarHBondContact O-CB 3.3Å; K80-N84 PolarHBondContact O-N 3.11Å; I81-N84 PolarHBondContact O-N 2.74Å; R82-N84 VanDerWaalsContact C-N 3.33Å; R82-N84 PolarHBondContact O-N 3.41Å; N84-A87 PolarHBondContact O-N 3.18Å; N84-C88 WeakPolarHBondContact O-CB 3.48Å; N84-C88 PolarHBondContact O-N 3.24Å; N84-C88 PolarHBondContact O-SG 3.1Å
85G95.8Very high93.6Very high0 Ų063.6 Ų63.60%031%0.306CS..Hα-helixtrans-58.5-43.6171.800000112.9Y66 I81 R82 E83 C88 T89Y66-G85 WeakPolarHBondContact CB-O 3.35Å; I81-G85 PolarHBondContact O-N 2.83Å; R82-G85 WeakPolarHBondContact O-CA 3.42Å; R82-G85 PolarHBondContact O-N 2.84Å; E83-G85 VanDerWaalsContact C-N 3.27Å; E83-G85 PolarHBondContact O-N 2.89Å; G85-C88 PolarHBondContact O-N 3.47Å; G85-T89 WeakPolarHBondContact O-CB 3.36Å; G85-T89 PolarHBondContact O-N 3.2Å; G85-T89 PolarHBondContact O-OG1 3.4Å
86V94.8Very high94.1Very high48 Ų4854.5 Ų54.529%0.29126%0.264SS..Hα-helixtrans-59.8-50.4174.3-178.40000110.6R82 E83 C88 T89 E90R82-V86 PolarHBondContact O-N 3.26Å; R82-V86 VanDerWaalsContact O-N 3.09Å; E83-V86 WeakPolarHBondContact O-CB 3.48Å; E83-V86 PolarHBondContact O-N 2.94Å; V86-C88 PolarHBondContact O-N 3.23Å; V86-T89 WeakPolarHBondContact O-CB 3.25Å; V86-T89 PolarHBondContact O-N 3.32Å; V86-E90 PolarHBondContact O-N 3.47Å
87A95.6Very high94.6Very high53 Ų5353.5 Ų53.544%0.43826%0.258SS..Hα-helixtrans-62.1-41-179.300000113E83 N84 K91E83-A87 PolarHBondContact O-N 3.41Å; N84-A87 PolarHBondContact O-N 3.18Å; A87-K91 WeakPolarHBondContact O-CB 3.37Å; A87-K91 PolarHBondContact O-N 3.06Å
88C97.2Very high95Very high8 Ų861.4 Ų61.45%0.05429%0.288CS..Hα-helixtrans-65.4-40.6176.1-69.20000111.7L45 Y66 N84 G85 V86 K91 L92L45-C88 HydrophobicContact CD1-CB 4.48Å; Y66-C88 HydrophobicContact CD1-CB 3.63Å; Y66-C88 HydrophobicContact CD2-CB 3.64Å; Y66-C88 HydrophobicContact CE1-CB 3.88Å; Y66-C88 HydrophobicContact CE2-CB 3.92Å; Y66-C88 HydrophobicContact CG-CB 3.49Å; Y66-C88 VanDerWaalsContact CG-CB 3.49Å; N84-C88 WeakPolarHBondContact O-CB 3.48Å; N84-C88 PolarHBondContact O-N 3.24Å; N84-C88 PolarHBondContact O-SG 3.1Å; G85-C88 PolarHBondContact O-N 3.47Å; V86-C88 PolarHBondContact O-N 3.23Å; C88-K91 PolarHBondContact O-N 3.03Å; C88-L92 WeakPolarHBondContact O-CB 3.45Å; C88-L92 WeakPolarHBondContact O-CD1 3.35Å; C88-L92 VanDerWaalsContact O-CG 3.27Å; C88-L92 WeakPolarHBondContact O-CG 3.32Å; C88-L92 PolarHBondContact O-N 3.4Å
89T97.2Very high95.3Very high2 Ų261.5 Ų61.51%0.01229%0.286CS..Hα-helixtrans-58.3-52.5176.3-57.80000110.9Y66 N67 G85 V86 K91 L92 L93 L121Y66-T89 VanDerWaalsContact CB-OG1 3.3Å; Y66-T89 WeakPolarHBondContact CB-OG1 3.45Å; N67-T89 WeakPolarHBondContact CA-OG1 3.12Å; N67-T89 HydrophobicContact CB-CG2 3.92Å; N67-T89 PolarHBondContact N-OG1 3.16Å; G85-T89 WeakPolarHBondContact O-CB 3.36Å; G85-T89 PolarHBondContact O-N 3.2Å; G85-T89 PolarHBondContact O-OG1 3.4Å; V86-T89 WeakPolarHBondContact O-CB 3.25Å; V86-T89 PolarHBondContact O-N 3.32Å; T89-K91 VanDerWaalsContact C-N 3.34Å; T89-K91 PolarHBondContact O-N 3.09Å; T89-L92 PolarHBondContact O-N 3.19Å; T89-L93 WeakPolarHBondContact O-CB 3.37Å; T89-L93 PolarHBondContact O-N 3.37Å; T89-L121 HydrophobicContact CG2-CD1 4.01Å
90E95.5Very high95.5Very high82 Ų8255.4 Ų55.438%0.38327%0.265SS..Hα-helixtrans-60.2-43.5179.5-71.2175.2178.600111.9V86 L92 L93 N94 K128V86-E90 PolarHBondContact O-N 3.47Å; E90-L92 PolarHBondContact O-N 3.05Å; E90-L93 PolarHBondContact O-N 3.28Å; E90-N94 VanDerWaalsContact O-CB 3.32Å; E90-N94 WeakPolarHBondContact O-CB 3.42Å; E90-N94 VanDerWaalsContact O-CG 3.25Å; E90-N94 PolarHBondContact O-N 3.32Å; E90-N94 PolarHBondContact O-ND2 3.37Å; E90-N94 VanDerWaalsContact O-ND2 3.11Å; E90-K128 IonicContact OE1-NZ 3.87Å; E90-K128 PolarHBondContact OE1-NZ 2.86Å
91K95.8Very high95.5Very high91 Ų9150.9 Ų50.940%0.39625%0.247SC..Hα-helixtrans-60.7-46.3177.8-178.4179-178.3174.10112.1E46 A87 C88 T89 R95E46-K91 WeakPolarHBondContact OE1-CE 3.4Å; E46-K91 IonicContact OE1-NZ 3.52Å; E46-K91 PolarHBondContact OE1-NZ 3.39Å; A87-K91 WeakPolarHBondContact O-CB 3.37Å; A87-K91 PolarHBondContact O-N 3.06Å; C88-K91 PolarHBondContact O-N 3.03Å; T89-K91 VanDerWaalsContact C-N 3.34Å; T89-K91 PolarHBondContact O-N 3.09Å; K91-R95 WeakPolarHBondContact O-CG 3.48Å; K91-R95 PolarHBondContact O-N 2.71Å
92L97.6Very high95.5Very high1 Ų152.6 Ų52.61%0.00526%0.256CS..Hα-helixtrans-69.8-41.8-179.8-69.8166.6000111.4L48 L59 V62 Y66 C88 T89 E90 R95 C96L48-L92 HydrophobicContact CD1-CD2 4.04Å; L59-L92 HydrophobicContact CD2-CD2 3.79Å; V62-L92 HydrophobicContact CB-CD1 4.04Å; V62-L92 HydrophobicContact CG1-CD1 3.73Å; Y66-L92 HydrophobicContact CD2-CD1 3.76Å; Y66-L92 HydrophobicContact CE2-CD1 4.12Å; C88-L92 WeakPolarHBondContact O-CB 3.45Å; C88-L92 WeakPolarHBondContact O-CD1 3.35Å; C88-L92 VanDerWaalsContact O-CG 3.27Å; C88-L92 WeakPolarHBondContact O-CG 3.32Å; C88-L92 PolarHBondContact O-N 3.4Å; T89-L92 PolarHBondContact O-N 3.19Å; E90-L92 PolarHBondContact O-N 3.05Å; L92-R95 WeakPolarHBondContact O-CB 3.33Å; L92-R95 PolarHBondContact O-N 3.35Å; L92-C96 PolarHBondContact O-N 3.01Å; L92-C96 PolarHBondContact O-SG 3.22Å
93L96.9Very high95.6Very high9 Ų957.2 Ų57.25%0.04728%0.278CS..Hα-helixtrans-58.6-49.6174.3177.463.2000111T89 E90 R95 C96 L97 P118 L121T89-L93 WeakPolarHBondContact O-CB 3.37Å; T89-L93 PolarHBondContact O-N 3.37Å; E90-L93 PolarHBondContact O-N 3.28Å; L93-R95 PolarHBondContact O-N 3.3Å; L93-C96 WeakPolarHBondContact O-CA 3.3Å; L93-C96 WeakPolarHBondContact O-CB 3.46Å; L93-C96 PolarHBondContact O-N 2.86Å; L93-L97 HydrophobicContact CD1-CD1 4.19Å; L93-L97 HydrophobicContact CD1-CD2 4.24Å; L93-L97 HydrophobicContact CD1-CG 4.05Å; L93-L97 HydrophobicContact CG-CD1 4.02Å; L93-L97 HydrophobicContact CG-CG 4.27Å; L93-L97 WeakPolarHBondContact O-CG 3.32Å; L93-L97 PolarHBondContact O-N 3.09Å; L93-P118 WeakPolarHBondContact CD1-O 3.27Å; L93-L121 HydrophobicContact CB-CD2 4.25Å; L93-L121 HydrophobicContact CD1-CD2 4.37Å; L93-L121 HydrophobicContact CD1-CG 4.35Å
94N95.9Very high95.5Very high85 Ų8557.7 Ų57.746%0.45528%0.279SS..Hα-helixtrans-58.2-35.6177.7-78.3-34.4000112.6E90 R98E90-N94 VanDerWaalsContact O-CB 3.32Å; E90-N94 WeakPolarHBondContact O-CB 3.42Å; E90-N94 VanDerWaalsContact O-CG 3.25Å; E90-N94 PolarHBondContact O-N 3.32Å; E90-N94 PolarHBondContact O-ND2 3.37Å; E90-N94 VanDerWaalsContact O-ND2 3.11Å; N94-R98 WeakPolarHBondContact O-CG 3.27Å; N94-R98 PolarHBondContact O-N 3.25Å; N94-R98 PolarHBondContact O-NH1 2.93Å
95R96.6Very high95.5Very high15 Ų1554.8 Ų54.86%0.05726%0.263CS..Hα-helixtrans-66.5-44.4172.3-70.8171.266.4-177.51.9111.4L45 L48 S50 L59 K91 L92 L93 L97 R98 H99L45-R95 PolarHBondContact O-NH1 2.99Å; L48-R95 PolarHBondContact O-NH2 3.24Å; S50-R95 PolarHBondContact OG-NH2 3.33Å; L59-R95 HydrophobicContact CD1-CB 3.66Å; K91-R95 WeakPolarHBondContact O-CG 3.48Å; K91-R95 PolarHBondContact O-N 2.71Å; L92-R95 WeakPolarHBondContact O-CB 3.33Å; L92-R95 PolarHBondContact O-N 3.35Å; L93-R95 PolarHBondContact O-N 3.3Å; R95-L97 PolarHBondContact O-N 2.85Å; R95-R98 VanDerWaalsContact CG-NH2 3.3Å; R95-R98 PolarHBondContact O-N 2.68Å; R95-H99 PolarHBondContact O-CD2 3.05Å; R95-H99 VanDerWaalsContact O-CD2 3.31Å
96C97.4Very high95.3Very high0 Ų057.9 Ų57.90%029%0.285CS..Hα-helixtrans-59.3-47.6177.8-61.10000111.7I53 L59 L92 L93 R98 H99 I100 P118I53-C96 HydrophobicContact CB-CB 4.34Å; I53-C96 HydrophobicContact CG2-CB 4.36Å; L59-C96 WeakPolarHBondContact CB-SG 3.5Å; L92-C96 PolarHBondContact O-N 3.01Å; L92-C96 PolarHBondContact O-SG 3.22Å; L93-C96 WeakPolarHBondContact O-CA 3.3Å; L93-C96 WeakPolarHBondContact O-CB 3.46Å; L93-C96 PolarHBondContact O-N 2.86Å; C96-R98 PolarHBondContact O-N 2.96Å; C96-H99 CarbonylContact O-C 3.27Å; C96-H99 PolarHBondContact O-N 2.72Å; C96-I100 PolarHBondContact O-N 3.04Å; C96-P118 HydrophobicContact CB-CB 3.77Å; C96-P118 HydrophobicContact CB-CG 3.96Å
97L95.7Very high95.1Very high55 Ų5564 Ų6429%0.28831%0.307SS..Hα-helixtrans-63.9-28.1-176.4-62.8178.3000112.9L93 R95 H99 I100 F139L93-L97 HydrophobicContact CD1-CD1 4.19Å; L93-L97 HydrophobicContact CD1-CD2 4.24Å; L93-L97 HydrophobicContact CD1-CG 4.05Å; L93-L97 HydrophobicContact CG-CD1 4.02Å; L93-L97 HydrophobicContact CG-CG 4.27Å; L93-L97 WeakPolarHBondContact O-CG 3.32Å; L93-L97 PolarHBondContact O-N 3.09Å; R95-L97 PolarHBondContact O-N 2.85Å; L97-H99 VanDerWaalsContact C-N 3.27Å; L97-H99 PolarHBondContact O-N 3.37Å; L97-I100 WeakPolarHBondContact O-CG2 3.33Å; L97-F139 HydrophobicContact CD1-CE1 4.18Å; L97-F139 HydrophobicContact CD1-CZ 3.91Å; L97-F139 HydrophobicContact CD2-CE1 3.77Å; L97-F139 HydrophobicContact CD2-CZ 4.31Å
98R95.7Very high95.1Very high168 Ų16862.6 Ų62.663%0.63429%0.292SS*.Hα-helixtrans-69.6-22.4173.4-72.8-169.4-60.3-96.313114.1N94 R95 C96N94-R98 WeakPolarHBondContact O-CG 3.27Å; N94-R98 PolarHBondContact O-N 3.25Å; N94-R98 PolarHBondContact O-NH1 2.93Å; R95-R98 VanDerWaalsContact CG-NH2 3.3Å; R95-R98 PolarHBondContact O-N 2.68Å; C96-R98 PolarHBondContact O-N 2.96Å
99H94.7Very high95.1Very high87 Ų8762.2 Ų62.240%0.40329%0.29SS..THydrogen-bonded Turntrans-1168.2-175.4-65.7-70.4000112.9S50 I53 R95 C96 L97 E101S50-H99 PolarHBondContact O-CD2 2.65Å; I53-H99 HydrophobicContact CG2-CB 3.89Å; R95-H99 PolarHBondContact O-CD2 3.05Å; R95-H99 VanDerWaalsContact O-CD2 3.31Å; C96-H99 CarbonylContact O-C 3.27Å; C96-H99 PolarHBondContact O-N 2.72Å; L97-H99 VanDerWaalsContact C-N 3.27Å; L97-H99 PolarHBondContact O-N 3.37Å; H99-E101 PolarHBondContact O-N 2.58Å
100I94.8Very high95.2Very high45 Ų4562.1 Ų62.123%0.23129%0.289CS..  trans-69.8131.5-176.9-159.7170000111.2I53 C96 L97 L102 P115 P118 L119I53-I100 HydrophobicContact CD1-CB 4.36Å; I53-I100 HydrophobicContact CD1-CG1 4.28Å; C96-I100 PolarHBondContact O-N 3.04Å; L97-I100 WeakPolarHBondContact O-CG2 3.33Å; I100-L102 HydrophobicContact CD1-CD2 3.92Å; I100-L102 HydrophobicContact CG1-CD2 4.09Å; I100-P115 HydrophobicContact CD1-CB 4.05Å; I100-P115 HydrophobicContact CG1-CB 3.76Å; I100-P115 HydrophobicContact CG1-CG 4.46Å; I100-P118 HydrophobicContact CD1-CB 4.31Å; I100-L119 HydrophobicContact CD1-CD2 3.79Å; I100-L119 HydrophobicContact CD1-CG 3.9Å
101E93.8Very high95.3Very high69 Ų6958.2 Ų58.232%0.32227%0.271SS..  trans-123.482.1-179.3-74.8-174.5-109.400111.1H99 K103 K104 P115H99-E101 PolarHBondContact O-N 2.58Å; E101-K103 PolarHBondContact O-N 2.6Å; E101-K103 WeakPolarHBondContact OE2-CE 3.29Å; E101-K103 IonicContact OE2-NZ 3.58Å; E101-K104 HydrophobicContact CB-CD 3.96Å; E101-K104 HydrophobicContact CB-CG 4.17Å; E101-K104 VanDerWaalsContact CD-NZ 3.31Å; E101-K104 WeakPolarHBondContact O-CB 3.26Å; E101-K104 PolarHBondContact O-N 3.3Å; E101-K104 WeakPolarHBondContact OE1-CE 3.4Å; E101-K104 IonicContact OE1-NZ 3.56Å; E101-K104 PolarHBondContact OE1-NZ 3.44Å; E101-K104 VanDerWaalsContact OE2-CE 3.26Å; E101-K104 WeakPolarHBondContact OE2-CE 3.23Å; E101-K104 IonicContact OE2-NZ 3.8Å; E101-P115 WeakPolarHBondContact O-CG 3.36Å
102L94.9Very high95.4Very high62 Ų6253.9 Ų53.933%0.32525%0.252SS..G310 helixtrans-58.3-25.4-175.9-60.4-179.9000113.9I100 K104 L105 P115 L119I100-L102 HydrophobicContact CD1-CD2 3.92Å; I100-L102 HydrophobicContact CG1-CD2 4.09Å; L102-K104 PolarHBondContact O-N 2.85Å; L102-K104 VanDerWaalsContact O-N 3.14Å; L102-L105 HydrophobicContact CB-CD1 4.36Å; L102-L105 HydrophobicContact CD2-CD1 4.09Å; L102-L105 VanDerWaalsContact O-CB 3.29Å; L102-L105 WeakPolarHBondContact O-CB 3.38Å; L102-L105 VanDerWaalsContact O-CG 3.31Å; L102-L105 WeakPolarHBondContact O-CG 3.44Å; L102-L105 PolarHBondContact O-N 3.16Å; L102-L105 VanDerWaalsContact O-N 3.09Å; L102-P115 HydrophobicContact CD2-CB 4Å; L102-L119 HydrophobicContact CD2-CD1 4.12Å
103K93.6Very high95.4Very high158 Ų15855.5 Ų55.569%0.68726%0.262SS*.G310 helixtrans-58.1-24.8174.966.3-177.1179.4-175.80113.9E101 L105 S106E101-K103 PolarHBondContact O-N 2.6Å; E101-K103 WeakPolarHBondContact OE2-CE 3.29Å; E101-K103 IonicContact OE2-NZ 3.58Å; K103-L105 PolarHBondContact O-N 2.92Å; K103-S106 PolarHBondContact O-OG 2.91Å
104K92.5Very high95.5Very high108 Ų10855.3 Ų55.347%0.4726%0.262SS..G310 helixtrans-72.4-16.3179.1-69.5178.9172.5164.10113E101 L102 S106 K107 N108E101-K104 HydrophobicContact CB-CD 3.96Å; E101-K104 HydrophobicContact CB-CG 4.17Å; E101-K104 VanDerWaalsContact CD-NZ 3.31Å; E101-K104 WeakPolarHBondContact O-CB 3.26Å; E101-K104 PolarHBondContact O-N 3.3Å; E101-K104 WeakPolarHBondContact OE1-CE 3.4Å; E101-K104 IonicContact OE1-NZ 3.56Å; E101-K104 PolarHBondContact OE1-NZ 3.44Å; E101-K104 VanDerWaalsContact OE2-CE 3.26Å; E101-K104 WeakPolarHBondContact OE2-CE 3.23Å; E101-K104 IonicContact OE2-NZ 3.8Å; L102-K104 PolarHBondContact O-N 2.85Å; L102-K104 VanDerWaalsContact O-N 3.14Å; K104-S106 PolarHBondContact O-N 3.19Å; K104-S106 VanDerWaalsContact O-N 3.16Å; K104-K107 PolarHBondContact O-N 3.34Å; K104-N108 PolarHBondContact O-N 3.5Å
105L94.4Very high95.5Very high5 Ų551.6 Ų51.63%0.02624%0.242CC..G310 helixtrans-61.2-23.9-179.8-68.2171.6000113.4L102 K103 K107 N108 I109 P115 I116 A146 Y149L102-L105 HydrophobicContact CB-CD1 4.36Å; L102-L105 HydrophobicContact CD2-CD1 4.09Å; L102-L105 VanDerWaalsContact O-CB 3.29Å; L102-L105 WeakPolarHBondContact O-CB 3.38Å; L102-L105 VanDerWaalsContact O-CG 3.31Å; L102-L105 WeakPolarHBondContact O-CG 3.44Å; L102-L105 PolarHBondContact O-N 3.16Å; L102-L105 VanDerWaalsContact O-N 3.09Å; K103-L105 PolarHBondContact O-N 2.92Å; L105-K107 PolarHBondContact O-N 3.18Å; L105-K107 VanDerWaalsContact O-N 3.16Å; L105-N108 WeakPolarHBondContact CA-O 3.41Å; L105-N108 PolarHBondContact O-N 2.87Å; L105-I109 HydrophobicContact CB-CG2 4.49Å; L105-I109 WeakPolarHBondContact O-CG2 3.3Å; L105-P115 HydrophobicContact CD2-CB 4.09Å; L105-P115 HydrophobicContact CD2-CG 4.18Å; L105-P115 HydrophobicContact CG-CB 4.32Å; L105-P115 HydrophobicContact CG-CG 4.24Å; L105-I116 HydrophobicContact CD1-CD1 4.46Å; L105-I116 HydrophobicContact CD2-CD1 3.9Å; L105-I116 HydrophobicContact CD2-CG1 3.69Å; L105-A146 HydrophobicContact CD1-CB 4.03Å; L105-Y149 HydrophobicContact CB-CD2 3.68Å; L105-Y149 HydrophobicContact CB-CE2 3.63Å; L105-Y149 HydrophobicContact CD1-CE2 4.48Å
106S91.5Very high95.6Very high65 Ų6550.9 Ų50.946%0.45524%0.239SC..G310 helixtrans-61.1-19.4173.256.30000114.5K103 K104K103-S106 PolarHBondContact O-OG 2.91Å; K104-S106 PolarHBondContact O-N 3.19Å; K104-S106 VanDerWaalsContact O-N 3.16Å
107K91Very high95.7Very high175 Ų17550.9 Ų50.976%0.76124%0.239SC*.THydrogen-bonded Turntrans-111.1-22.3-177.7-62.5-177.7177.9-175.60113.8K104 L105K104-K107 PolarHBondContact O-N 3.34Å; L105-K107 PolarHBondContact O-N 3.18Å; L105-K107 VanDerWaalsContact O-N 3.16Å
108N95Very high95.8Very high24 Ų2448.3 Ų48.313%0.12823%0.226CC..  trans-160.8120.8-173.4172.42.8000108.7K104 L105 S110 T113 S114 Y163K104-N108 PolarHBondContact O-N 3.5Å; L105-N108 WeakPolarHBondContact CA-O 3.41Å; L105-N108 PolarHBondContact O-N 2.87Å; N108-S110 WeakPolarHBondContact OD1-CB 3.48Å; N108-S110 PolarHBondContact OD1-N 2.99Å; N108-T113 PolarHBondContact ND2-O 3.02Å; N108-T113 PolarHBondContact ND2-OG1 2.87Å; N108-S114 WeakPolarHBondContact O-CB 3.47Å; N108-Y163 WeakPolarHBondContact OD1-CA 3.07Å; N108-Y163 PolarHBondContact OD1-O 3.4Å
109I97.2Very high95.9Very high0 Ų040.7 Ų40.70%020%0.198CC..  trans-113.67.4-179.958.8174000113.1L105 I116 Y149 M157 R165 Y168L105-I109 HydrophobicContact CB-CG2 4.49Å; L105-I109 WeakPolarHBondContact O-CG2 3.3Å; I109-I116 WeakPolarHBondContact O-CG1 3.13Å; I109-Y149 HydrophobicContact CG2-CD2 4.42Å; I109-M157 HydrophobicContact CD1-CG 4.4Å; I109-M157 HydrophobicContact CD1-SD 4.42Å; I109-M157 HydrophobicContact CG1-CE 4.22Å; I109-M157 HydrophobicContact CG1-CG 4.4Å; I109-M157 HydrophobicContact CG1-SD 3.84Å; I109-M157 HydrophobicContact CG2-CE 3.87Å; I109-R165 HydrophobicContact CD1-CG 4.44Å; I109-Y168 HydrophobicContact CB-CD2 4.46Å; I109-Y168 HydrophobicContact CD1-CG 4.09Å; I109-Y168 HydrophobicContact CG1-CG 4.5Å
110S98.3Very high96Very high0 Ų036.5 Ų36.50%018%0.178CC..  trans-69.3138.7-176.3173.10000112N108 Y112 T113 S114 A161 L162 G167N108-S110 WeakPolarHBondContact OD1-CB 3.48Å; N108-S110 PolarHBondContact OD1-N 2.99Å; S110-Y112 PolarHBondContact O-N 3.38Å; S110-Y112 VanDerWaalsContact O-N 3.16Å; S110-Y112 WeakPolarHBondContact OG-CD2 3.1Å; S110-Y112 PolarHBondContact OG-N 3.35Å; S110-T113 PolarHBondContact O-N 2.97Å; S110-S114 WeakPolarHBondContact O-CB 3.39Å; S110-S114 PolarHBondContact O-N 2.93Å; S110-S114 PolarHBondContact O-OG 2.91Å; S110-A161 PolarHBondContact OG-O 3.44Å; S110-L162 VanDerWaalsContact CB-C 3.4Å; S110-L162 WeakPolarHBondContact CB-O 3.45Å; S110-L162 PolarHBondContact OG-O 3.44Å; S110-L162 VanDerWaalsContact OG-O 3.05Å; S110-G167 WeakPolarHBondContact OG-CA 3.4Å
111V98.5Very high96.2Very high0 Ų034.4 Ų34.40%017%0.167CC..THydrogen-bonded Turntrans-57.4-25.1169.972.50000113M55 I116 G117 C120 G167 N170 C171 L425M55-V111 WeakPolarHBondContact CB-O 3.24Å; M55-V111 HydrophobicContact CE-CG2 4.05Å; V111-I116 HydrophobicContact CB-CG2 4.09Å; V111-I116 HydrophobicContact CG2-CG2 4.22Å; V111-G117 WeakPolarHBondContact O-CA 3.13Å; V111-C120 HydrophobicContact CG2-CB 3.94Å; V111-G167 WeakPolarHBondContact CB-O 3.43Å; V111-G167 WeakPolarHBondContact CG1-O 3.38Å; V111-G167 PolarHBondContact N-O 3.48Å; V111-N170 HydrophobicContact CG1-CB 4.25Å; V111-C171 HydrophobicContact CB-CB 3.88Å; V111-C171 HydrophobicContact CG2-CB 3.87Å; V111-L425 HydrophobicContact CG1-CD1 3.81Å; V111-L425 HydrophobicContact CG1-CD2 4.21Å; V111-L425 HydrophobicContact CG1-CG 4.45Å; V111-L425 HydrophobicContact CG2-CD1 4.49Å; V111-L425 HydrophobicContact CG2-CD2 4.1Å
112Y98.4Very high96.3Very high1 Ų131.1 Ų31.10%0.00415%0.152CC..THydrogen-bonded Turntrans-75.6-42.4-175.8-70.7-86.7000112.3S54 M55 Y56 S110 A161 L162 W304 M402 L425 L426S54-Y112 WeakPolarHBondContact CB-O 3.29Å; M55-Y112 PolarHBondContact N-O 3.05Å; Y56-Y112 WeakPolarHBondContact CB-O 3.41Å; Y56-Y112 HydrophobicContact CD2-CD1 4.22Å; Y56-Y112 PolarHBondContact N-O 2.88Å; S110-Y112 PolarHBondContact O-N 3.38Å; S110-Y112 VanDerWaalsContact O-N 3.16Å; S110-Y112 WeakPolarHBondContact OG-CD2 3.1Å; S110-Y112 PolarHBondContact OG-N 3.35Å; Y112-A161 WeakPolarHBondContact CD2-O 3.36Å; Y112-A161 HydrophobicContact CE2-CB 4.3Å; Y112-L162 HydrophobicContact CD1-CD2 3.93Å; Y112-L162 HydrophobicContact CD2-CD2 4.08Å; Y112-L162 HydrophobicContact CE1-CD2 4.45Å; Y112-L162 HydrophobicContact CG-CD2 3.7Å; Y112-W304 HydrophobicContact CE1-CH2 4.23Å; Y112-M402 HydrophobicContact CE1-CE 4.34Å; Y112-M402 HydrophobicContact CE1-SD 4.44Å; Y112-L425 HydrophobicContact CD1-CD1 3.89Å; Y112-L425 HydrophobicContact CE1-CB 4.26Å; Y112-L425 HydrophobicContact CE1-CD1 3.53Å; Y112-L425 HydrophobicContact CE2-CB 4.44Å; Y112-L425 HydrophobicContact CE2-CD1 4.31Å; Y112-L425 HydrophobicContact CG-CD1 4.43Å; Y112-L425 WeakPolarHBondContact OH-CB 3.45Å; Y112-L426 VanDerWaalsContact OH-CB 3.27Å; Y112-L426 WeakPolarHBondContact OH-CB 3.37Å
113T97.6Very high96.4Very high35 Ų3528.1 Ų28.122%0.21514%0.137CC..THydrogen-bonded Turntrans-1315.7-166.464.50000114.6N108 S110 L162 Y163N108-T113 PolarHBondContact ND2-O 3.02Å; N108-T113 PolarHBondContact ND2-OG1 2.87Å; S110-T113 PolarHBondContact O-N 2.97Å; T113-L162 WeakPolarHBondContact CB-O 3.42Å; T113-L162 WeakPolarHBondContact CG2-O 3.29Å; T113-L162 PolarHBondContact OG1-O 3Å; T113-Y163 HydrophobicContact CG2-CD1 4.44Å; T113-Y163 HydrophobicContact CG2-CE1 3.99Å; T113-Y163 VanDerWaalsContact OG1-CD1 3.29Å; T113-Y163 WeakPolarHBondContact OG1-CD1 3.19Å
114S97.5Very high96.4Very high5 Ų520.9 Ų20.94%0.03511%0.105CC..SBendtrans-115.7174179.486.90000112.6N108 S110 I116 G117N108-S114 WeakPolarHBondContact O-CB 3.47Å; S110-S114 WeakPolarHBondContact O-CB 3.39Å; S110-S114 PolarHBondContact O-N 2.93Å; S110-S114 PolarHBondContact O-OG 2.91Å; S114-I116 PolarHBondContact O-N 3.15Å; S114-I116 WeakPolarHBondContact OG-CB 3.38Å; S114-I116 WeakPolarHBondContact OG-CG1 3.16Å; S114-I116 PolarHBondContact OG-N 3.31Å; S114-I116 VanDerWaalsContact OG-N 3.1Å; S114-G117 PolarHBondContact O-N 3.36Å
115P97.5Very high96.5Very high7 Ų716.7 Ų16.75%0.0459%0.089CC..THydrogen-bonded Turntrans-52.4-19169.3-29.537.3000115.7I100 E101 L102 L105 G117 P118 L119I100-P115 HydrophobicContact CD1-CB 4.05Å; I100-P115 HydrophobicContact CG1-CB 3.76Å; I100-P115 HydrophobicContact CG1-CG 4.46Å; E101-P115 WeakPolarHBondContact O-CG 3.36Å; L102-P115 HydrophobicContact CD2-CB 4Å; L105-P115 HydrophobicContact CD2-CB 4.09Å; L105-P115 HydrophobicContact CD2-CG 4.18Å; L105-P115 HydrophobicContact CG-CB 4.32Å; L105-P115 HydrophobicContact CG-CG 4.24Å; P115-G117 PolarHBondContact O-N 3.24Å; P115-P118 WeakPolarHBondContact O-CD 3.35Å; P115-L119 WeakPolarHBondContact O-CG 3.49Å; P115-L119 PolarHBondContact O-N 3.48Å
116I98.3Very high96.2Very high0 Ų016.7 Ų16.70%09%0.09CC..Hα-helixtrans-59.6-32174-61-57.1000111.9L105 I109 V111 S114 L119 C120 I143 A146 Y168 C171L105-I116 HydrophobicContact CD1-CD1 4.46Å; L105-I116 HydrophobicContact CD2-CD1 3.9Å; L105-I116 HydrophobicContact CD2-CG1 3.69Å; I109-I116 WeakPolarHBondContact O-CG1 3.13Å; V111-I116 HydrophobicContact CB-CG2 4.09Å; V111-I116 HydrophobicContact CG2-CG2 4.22Å; S114-I116 PolarHBondContact O-N 3.15Å; S114-I116 WeakPolarHBondContact OG-CB 3.38Å; S114-I116 WeakPolarHBondContact OG-CG1 3.16Å; S114-I116 PolarHBondContact OG-N 3.31Å; S114-I116 VanDerWaalsContact OG-N 3.1Å; I116-L119 HydrophobicContact CD1-CD1 4.32Å; I116-L119 PolarHBondContact O-N 3.45Å; I116-C120 VanDerWaalsContact O-CB 3.24Å; I116-C120 WeakPolarHBondContact O-CB 3.11Å; I116-C120 PolarHBondContact O-N 3.2Å; I116-I143 HydrophobicContact CD1-CG1 4.35Å; I116-A146 HydrophobicContact CD1-CB 3.69Å; I116-Y168 HydrophobicContact CD1-CD2 4.45Å; I116-Y168 HydrophobicContact CD1-CE2 4.37Å; I116-Y168 HydrophobicContact CG1-CD2 4.33Å; I116-C171 HydrophobicContact CG2-CB 3.78Å
117G98.2Very high95.7Very high0 Ų017.3 Ų17.30%09%0.091CC..Hα-helixtrans-58.5-60.2178.400000113M55 V111 S114 P115 L119 C120 L121M55-G117 WeakPolarHBondContact CE-O 3.49Å; V111-G117 WeakPolarHBondContact O-CA 3.13Å; S114-G117 PolarHBondContact O-N 3.36Å; P115-G117 PolarHBondContact O-N 3.24Å; G117-L119 VanDerWaalsContact C-N 3.32Å; G117-L119 PolarHBondContact O-N 3.17Å; G117-C120 WeakPolarHBondContact O-CB 3.48Å; G117-C120 PolarHBondContact O-N 3.27Å; G117-L121 PolarHBondContact O-N 3.34Å
118P97.7Very high94.4Very high0 Ų013.6 Ų13.60%08%0.075CC..Hα-helixtrans-52.9-41.7172.1-3236.1000115.2I53 L93 C96 I100 P115 L121 G122I53-P118 HydrophobicContact CB-CG 3.99Å; I53-P118 HydrophobicContact CD1-CG 4.06Å; I53-P118 HydrophobicContact CG1-CG 4.05Å; I53-P118 WeakPolarHBondContact O-CD 3.36Å; I53-P118 WeakPolarHBondContact O-CG 3.41Å; L93-P118 WeakPolarHBondContact CD1-O 3.27Å; C96-P118 HydrophobicContact CB-CB 3.77Å; C96-P118 HydrophobicContact CB-CG 3.96Å; I100-P118 HydrophobicContact CD1-CB 4.31Å; P115-P118 WeakPolarHBondContact O-CD 3.35Å; P118-L121 PolarHBondContact O-N 2.88Å; P118-G122 PolarHBondContact O-N 3.22Å
119L97.9Very high92.3Very high8 Ų821.1 Ų21.14%0.04211%0.108CC..Hα-helixtrans-65.4-41.8178.4-62.9171.6000111.2I100 L102 P115 I116 G117 L121 G122 A123 F139 E142 I143I100-L119 HydrophobicContact CD1-CD2 3.79Å; I100-L119 HydrophobicContact CD1-CG 3.9Å; L102-L119 HydrophobicContact CD2-CD1 4.12Å; P115-L119 WeakPolarHBondContact O-CG 3.49Å; P115-L119 PolarHBondContact O-N 3.48Å; I116-L119 HydrophobicContact CD1-CD1 4.32Å; I116-L119 PolarHBondContact O-N 3.45Å; G117-L119 VanDerWaalsContact C-N 3.32Å; G117-L119 PolarHBondContact O-N 3.17Å; L119-L121 VanDerWaalsContact C-N 3.35Å; L119-L121 PolarHBondContact O-N 3.38Å; L119-G122 PolarHBondContact O-N 3.22Å; L119-A123 PolarHBondContact O-N 3.23Å; L119-F139 HydrophobicContact CB-CD1 4.5Å; L119-F139 HydrophobicContact CD2-CD1 3.69Å; L119-F139 HydrophobicContact CD2-CE1 4.23Å; L119-E142 HydrophobicContact CD1-CB 4Å; L119-E142 HydrophobicContact CD2-CB 4.33Å; L119-I143 HydrophobicContact CB-CD1 3.85Å; L119-I143 HydrophobicContact CB-CG1 3.61Å; L119-I143 HydrophobicContact CD1-CG1 4.14Å
120C98Very high90.2Very high0 Ų033 Ų330%015%0.154CC..Hα-helixtrans-60.4-45.3175.5-174.90000110.8M55 V111 I116 G117 G122 A123 L124 I143 C171M55-C120 HydrophobicContact CE-CB 4.12Å; V111-C120 HydrophobicContact CG2-CB 3.94Å; I116-C120 VanDerWaalsContact O-CB 3.24Å; I116-C120 WeakPolarHBondContact O-CB 3.11Å; I116-C120 PolarHBondContact O-N 3.2Å; G117-C120 WeakPolarHBondContact O-CB 3.48Å; G117-C120 PolarHBondContact O-N 3.27Å; C120-G122 VanDerWaalsContact C-N 3.32Å; C120-G122 PolarHBondContact O-N 3.2Å; C120-A123 PolarHBondContact O-N 3.39Å; C120-L124 WeakPolarHBondContact O-CB 3.47Å; C120-L124 VanDerWaalsContact O-CG 3.27Å; C120-L124 WeakPolarHBondContact O-CG 3.47Å; C120-L124 PolarHBondContact O-N 3.42Å; C120-I143 HydrophobicContact CB-CD1 4.48Å; C120-C171 VanDerWaalsContact SG-SG 3.69Å
121L97.6Very high87.9Confident0 Ų036.9 Ų36.90%018%0.18CC..Hα-helixtrans-58.7-44.3173.5178.163.3000111.8L64 N67 T89 L93 G117 P118 L119 L124 S125L64-L121 HydrophobicContact CB-CD1 4.44Å; N67-L121 HydrophobicContact CB-CD1 4.2Å; T89-L121 HydrophobicContact CG2-CD1 4.01Å; L93-L121 HydrophobicContact CB-CD2 4.25Å; L93-L121 HydrophobicContact CD1-CD2 4.37Å; L93-L121 HydrophobicContact CD1-CG 4.35Å; G117-L121 PolarHBondContact O-N 3.34Å; P118-L121 PolarHBondContact O-N 2.88Å; L119-L121 VanDerWaalsContact C-N 3.35Å; L119-L121 PolarHBondContact O-N 3.38Å; L121-L124 PolarHBondContact O-N 2.93Å; L121-S125 VanDerWaalsContact O-CB 3.31Å; L121-S125 WeakPolarHBondContact O-CB 3.28Å; L121-S125 PolarHBondContact O-N 3.33Å; L121-S125 PolarHBondContact O-OG 3.03Å
122G96.8Very high85.9Confident0 Ų044.2 Ų44.20%022%0.215CC..Hα-helixtrans-55.4-54.2175.700000111.8P118 L119 C120 L124 S125 S126 F139P118-G122 PolarHBondContact O-N 3.22Å; L119-G122 PolarHBondContact O-N 3.22Å; C120-G122 VanDerWaalsContact C-N 3.32Å; C120-G122 PolarHBondContact O-N 3.2Å; G122-L124 PolarHBondContact O-N 3.2Å; G122-S125 PolarHBondContact O-N 3.49Å; G122-S125 PolarHBondContact O-OG 3.49Å; G122-S126 WeakPolarHBondContact O-CB 3.48Å; G122-S126 PolarHBondContact O-N 3.29Å; G122-S126 PolarHBondContact O-OG 2.68Å; G122-S126 VanDerWaalsContact O-OG 3.07Å; G122-F139 VanDerWaalsContact CA-CE2 3.48Å
123A96Very high85Confident0 Ų046.6 Ų46.60%023%0.228CC..Hα-helixtrans-55-51.817700000111.9L119 C120 S125 S126 F139 V140 L175 F180L119-A123 PolarHBondContact O-N 3.23Å; C120-A123 PolarHBondContact O-N 3.39Å; A123-S125 PolarHBondContact O-N 2.85Å; A123-S126 PolarHBondContact O-N 3.34Å; A123-F139 HydrophobicContact CB-CB 3.93Å; A123-V140 HydrophobicContact CB-CG2 3.97Å; A123-L175 HydrophobicContact CB-CD2 3.71Å; A123-F180 HydrophobicContact CB-CE1 4.37Å; A123-F180 HydrophobicContact CB-CZ 4.13Å; A123-F180 WeakPolarHBondContact O-CZ 3.37Å
124L94.8Very high84.4Confident6 Ų649.6 Ų49.63%0.03125%0.246CC..Hα-helixtrans-62.8-40.7-177.3-68.1173.2000113.1L64 C120 L121 G122 T174 L175 N178 F180L64-L124 HydrophobicContact CD1-CD1 3.86Å; C120-L124 WeakPolarHBondContact O-CB 3.47Å; C120-L124 VanDerWaalsContact O-CG 3.27Å; C120-L124 WeakPolarHBondContact O-CG 3.47Å; C120-L124 PolarHBondContact O-N 3.42Å; L121-L124 PolarHBondContact O-N 2.93Å; G122-L124 PolarHBondContact O-N 3.2Å; L124-T174 HydrophobicContact CD1-CG2 4Å; L124-T174 HydrophobicContact CD2-CG2 4.41Å; L124-L175 HydrophobicContact CD2-CD2 4.26Å; L124-L175 HydrophobicContact CG-CD2 4.42Å; L124-N178 HydrophobicContact CD2-CB 3.72Å; L124-F180 HydrophobicContact CD2-CE2 4.39Å
125S93.7Very high84.1Confident19 Ų1953.9 Ų53.913%0.13327%0.265CS..Hα-helixtrans-78-25.4-177.267.50000113.9L121 G122 A123 V127L121-S125 VanDerWaalsContact O-CB 3.31Å; L121-S125 WeakPolarHBondContact O-CB 3.28Å; L121-S125 PolarHBondContact O-N 3.33Å; L121-S125 PolarHBondContact O-OG 3.03Å; G122-S125 PolarHBondContact O-N 3.49Å; G122-S125 PolarHBondContact O-OG 3.49Å; A123-S125 PolarHBondContact O-N 2.85Å; S125-V127 PolarHBondContact O-N 3.46Å
126S89.8Confident83.8Confident6 Ų653.8 Ų53.84%0.04227%0.265CS..THydrogen-bonded Turntrans-74.8-9.4178.5-69.60000113.5G122 A123 K128 N133 E135G122-S126 WeakPolarHBondContact O-CB 3.48Å; G122-S126 PolarHBondContact O-N 3.29Å; G122-S126 PolarHBondContact O-OG 2.68Å; G122-S126 VanDerWaalsContact O-OG 3.07Å; A123-S126 PolarHBondContact O-N 3.34Å; S126-K128 PolarHBondContact O-N 3.31Å; S126-N133 WeakPolarHBondContact O-CB 3.38Å; S126-N133 PolarHBondContact O-ND2 2.87Å; S126-E135 PolarHBondContact OG-OE2 3.27Å
127V79.4Confident83.6Confident77 Ų7758.3 Ų58.347%0.46729%0.285SS..  trans-76.874.2175.6-170.40000110.2S125 F180S125-V127 PolarHBondContact O-N 3.46Å; V127-F180 HydrophobicContact CG2-CE1 4.33Å; V127-F180 HydrophobicContact CG2-CE2 3.76Å; V127-F180 HydrophobicContact CG2-CZ 3.35Å
128K63.6Low83.4Confident98 Ų9864.4 Ų64.443%0.42631%0.311SS..  trans-97.5123.6169.6-67.7-173.7-178.6179.30109.7E90 S126 R130E90-K128 IonicContact OE1-NZ 3.87Å; E90-K128 PolarHBondContact OE1-NZ 2.86Å; S126-K128 PolarHBondContact O-N 3.31Å; K128-R130 PolarHBondContact O-N 3.14Å
129H52.5Low83.3Confident181 Ų18165.4 Ų65.484%0.83832%0.316SS*.THydrogen-bonded Turntrans5844.4169.2-62.9-69.9000118.1S131H129-S131 PolarHBondContact O-N 3.33Å
130R51.6Low83.3Confident251 Ų25165.6 Ų65.695%0.94732%0.317SS*.THydrogen-bonded Turntrans53.911.3166.9-69-173.1175.9-174.3-1.7116.1K128K128-R130 PolarHBondContact O-N 3.14Å
131S51.1Low83.2Confident80 Ų8071.5 Ų71.556%0.55935%0.345SS*.SBendtrans-94143.5170.554.30000109.4H129 N133H129-S131 PolarHBondContact O-N 3.33Å; S131-N133 PolarHBondContact O-N 3.39Å
132E56.7Low83.2Confident155 Ų15575.6 Ų75.672%0.72436%0.364SS*.  trans-59.499.1175.2-67.7-171.9163.100109.8T134 K137E132-T134 PolarHBondContact O-N 2.87Å; E132-K137 VanDerWaalsContact CD-NZ 3.32Å; E132-K137 IonicContact OE1-NZ 2.71Å; E132-K137 IonicContact OE2-NZ 2.56Å; E132-K137 PolarHBondContact OE2-NZ 2.83Å
133N78.5Confident83.3Confident51 Ų5175.6 Ų75.627%0.27336%0.364SS..  trans-79114.4176.4-169.9-15.9000109S126 S131 E135 A136 K137S126-N133 WeakPolarHBondContact O-CB 3.38Å; S126-N133 PolarHBondContact O-ND2 2.87Å; S131-N133 PolarHBondContact O-N 3.39Å; N133-E135 PolarHBondContact O-N 3.27Å; N133-E135 VanDerWaalsContact O-N 3.12Å; N133-E135 VanDerWaalsContact OD1-CB 3.23Å; N133-E135 WeakPolarHBondContact OD1-CB 3.49Å; N133-E135 PolarHBondContact OD1-N 3.48Å; N133-A136 HydrophobicContact CB-CB 4.18Å; N133-A136 WeakPolarHBondContact O-CB 2.92Å; N133-A136 PolarHBondContact O-N 2.97Å; N133-K137 PolarHBondContact O-N 2.69Å
134T85.7Confident83.4Confident98 Ų9877.2 Ų77.260%0.60137%0.372SS*.Hα-helixtrans-51.3-32.5174.5-49.30000112.2E132 K138E132-T134 PolarHBondContact O-N 2.87Å; T134-K138 WeakPolarHBondContact O-CG 3.29Å; T134-K138 PolarHBondContact O-N 3.42Å
135E90Very high83.5Confident94 Ų9479.2 Ų79.244%0.43939%0.387SS..Hα-helixtrans-67.5-43.8176.9-168.6-177.9-147.800112.3S126 N133 K137 K138 F139S126-E135 PolarHBondContact OG-OE2 3.27Å; N133-E135 PolarHBondContact O-N 3.27Å; N133-E135 VanDerWaalsContact O-N 3.12Å; N133-E135 VanDerWaalsContact OD1-CB 3.23Å; N133-E135 WeakPolarHBondContact OD1-CB 3.49Å; N133-E135 PolarHBondContact OD1-N 3.48Å; E135-K137 VanDerWaalsContact C-N 3.28Å; E135-K137 PolarHBondContact O-N 2.82Å; E135-K138 WeakPolarHBondContact O-CB 3.43Å; E135-K138 PolarHBondContact O-N 3.39Å; E135-F139 HydrophobicContact CG-CD2 4.28Å; E135-F139 HydrophobicContact CG-CE2 3.68Å; E135-F139 HydrophobicContact CG-CZ 4.4Å; E135-F139 VanDerWaalsContact O-CD2 3.29Å; E135-F139 WeakPolarHBondContact O-CD2 3.43Å; E135-F139 PolarHBondContact O-N 3.33Å
136A92.8Very high83.6Confident5 Ų578.3 Ų78.34%0.04138%0.381CS..Hα-helixtrans-60.9-40.8177.500000111.1N133 K138 F139 V140 F180N133-A136 HydrophobicContact CB-CB 4.18Å; N133-A136 WeakPolarHBondContact O-CB 2.92Å; N133-A136 PolarHBondContact O-N 2.97Å; A136-K138 PolarHBondContact O-N 2.75Å; A136-F139 PolarHBondContact O-N 3.08Å; A136-V140 WeakPolarHBondContact O-CG2 3.47Å; A136-V140 PolarHBondContact O-N 2.96Å; A136-V140 VanDerWaalsContact O-N 3.09Å; A136-F180 HydrophobicContact CB-CE1 4.03Å; A136-F180 HydrophobicContact CB-CZ 4.35Å
137K92.8Very high84Confident95 Ų9579 Ų7941%0.41339%0.385SS..Hα-helixtrans-59.9-42.9176.5-68.7-174.2-179.9179.10111.9E132 N133 E135 F139 V140 E141E132-K137 VanDerWaalsContact CD-NZ 3.32Å; E132-K137 IonicContact OE1-NZ 2.71Å; E132-K137 IonicContact OE2-NZ 2.56Å; E132-K137 PolarHBondContact OE2-NZ 2.83Å; N133-K137 PolarHBondContact O-N 2.69Å; E135-K137 VanDerWaalsContact C-N 3.28Å; E135-K137 PolarHBondContact O-N 2.82Å; K137-F139 PolarHBondContact O-N 2.85Å; K137-V140 PolarHBondContact O-N 2.95Å; K137-E141 WeakPolarHBondContact O-CG 3.41Å; K137-E141 PolarHBondContact O-N 3.35Å
138K94.3Very high84.8Confident129 Ų12981.1 Ų81.156%0.56139%0.388SS*.Hα-helixtrans-60.5-43.6177.1-69.7176.5-177.9-1790112.5T134 E135 A136 V140 E141 E142T134-K138 WeakPolarHBondContact O-CG 3.29Å; T134-K138 PolarHBondContact O-N 3.42Å; E135-K138 WeakPolarHBondContact O-CB 3.43Å; E135-K138 PolarHBondContact O-N 3.39Å; A136-K138 PolarHBondContact O-N 2.75Å; K138-V140 VanDerWaalsContact C-N 3.34Å; K138-V140 PolarHBondContact O-N 3.39Å; K138-E141 PolarHBondContact O-N 2.9Å; K138-E142 WeakPolarHBondContact O-CG 3.45Å; K138-E142 PolarHBondContact O-N 3.44Å
139F96.6Very high86.4Confident20 Ų2079.9 Ų79.99%0.08838%0.381CS..Hα-helixtrans-62.5-43176.3-70.3-55.7000111.9L97 L119 G122 A123 E135 A136 K137 E142 I143L97-F139 HydrophobicContact CD1-CE1 4.18Å; L97-F139 HydrophobicContact CD1-CZ 3.91Å; L97-F139 HydrophobicContact CD2-CE1 3.77Å; L97-F139 HydrophobicContact CD2-CZ 4.31Å; L119-F139 HydrophobicContact CB-CD1 4.5Å; L119-F139 HydrophobicContact CD2-CD1 3.69Å; L119-F139 HydrophobicContact CD2-CE1 4.23Å; G122-F139 VanDerWaalsContact CA-CE2 3.48Å; A123-F139 HydrophobicContact CB-CB 3.93Å; E135-F139 HydrophobicContact CG-CD2 4.28Å; E135-F139 HydrophobicContact CG-CE2 3.68Å; E135-F139 HydrophobicContact CG-CZ 4.4Å; E135-F139 VanDerWaalsContact O-CD2 3.29Å; E135-F139 WeakPolarHBondContact O-CD2 3.43Å; E135-F139 PolarHBondContact O-N 3.33Å; A136-F139 PolarHBondContact O-N 3.08Å; K137-F139 PolarHBondContact O-N 2.85Å; F139-E142 PolarHBondContact O-N 3.18Å; F139-I143 WeakPolarHBondContact O-CD1 3.45Å; F139-I143 VanDerWaalsContact O-CG1 3.23Å; F139-I143 WeakPolarHBondContact O-CG1 3.3Å; F139-I143 PolarHBondContact O-N 3.46Å
140V96.9Very high88.5Confident12 Ų1271.2 Ų71.27%0.07334%0.341CS..Hα-helixtrans-65.3-42.6177.8175.40000111.4A123 A136 K137 K138 E142 I143 L144 L175 F180 I182A123-V140 HydrophobicContact CB-CG2 3.97Å; A136-V140 WeakPolarHBondContact O-CG2 3.47Å; A136-V140 PolarHBondContact O-N 2.96Å; A136-V140 VanDerWaalsContact O-N 3.09Å; K137-V140 PolarHBondContact O-N 2.95Å; K138-V140 VanDerWaalsContact C-N 3.34Å; K138-V140 PolarHBondContact O-N 3.39Å; V140-E142 VanDerWaalsContact C-N 3.34Å; V140-E142 PolarHBondContact O-N 3.44Å; V140-I143 PolarHBondContact O-N 2.75Å; V140-L144 HydrophobicContact CG1-CD1 3.87Å; V140-L144 HydrophobicContact CG1-CG 4.15Å; V140-L144 WeakPolarHBondContact O-CB 3.23Å; V140-L144 VanDerWaalsContact O-CG 3.25Å; V140-L144 WeakPolarHBondContact O-CG 3.36Å; V140-L144 PolarHBondContact O-N 2.9Å; V140-L175 HydrophobicContact CG2-CD1 4.37Å; V140-F180 HydrophobicContact CG2-CD1 3.61Å; V140-F180 HydrophobicContact CG2-CE1 3.8Å; V140-F180 HydrophobicContact CG2-CG 4.41Å; V140-I182 HydrophobicContact CG1-CD1 4.02Å
141E97Very high90.6Very high124 Ų12463 Ų6358%0.57932%0.316SS*.Hα-helixtrans-58-45.2175.5-75.3168.7-176.600111.9K137 K138 L144 S145K137-E141 WeakPolarHBondContact O-CG 3.41Å; K137-E141 PolarHBondContact O-N 3.35Å; K138-E141 PolarHBondContact O-N 2.9Å; E141-L144 PolarHBondContact O-N 3.19Å; E141-S145 WeakPolarHBondContact O-CB 3.29Å; E141-S145 PolarHBondContact O-N 3.3Å
142E96.7Very high92.7Very high87 Ų8763.4 Ų63.441%0.40731%0.311SS..Hα-helixtrans-63.3-43176.3-74.4-68.1179.800112.2L119 K138 F139 V140 S145 A146L119-E142 HydrophobicContact CD1-CB 4Å; L119-E142 HydrophobicContact CD2-CB 4.33Å; K138-E142 WeakPolarHBondContact O-CG 3.45Å; K138-E142 PolarHBondContact O-N 3.44Å; F139-E142 PolarHBondContact O-N 3.18Å; V140-E142 VanDerWaalsContact C-N 3.34Å; V140-E142 PolarHBondContact O-N 3.44Å; E142-S145 PolarHBondContact O-N 2.81Å; E142-S145 PolarHBondContact O-OG 2.75Å; E142-A146 PolarHBondContact O-N 2.76Å
143I98.2Very high94.5Very high0 Ų057.8 Ų57.80%029%0.288CS..Hα-helixtrans-59-51.2174.6-68.9162.7000110I116 L119 C120 F139 V140 S145 A146 Y168 L172 L175I116-I143 HydrophobicContact CD1-CG1 4.35Å; L119-I143 HydrophobicContact CB-CD1 3.85Å; L119-I143 HydrophobicContact CB-CG1 3.61Å; L119-I143 HydrophobicContact CD1-CG1 4.14Å; C120-I143 HydrophobicContact CB-CD1 4.48Å; F139-I143 WeakPolarHBondContact O-CD1 3.45Å; F139-I143 VanDerWaalsContact O-CG1 3.23Å; F139-I143 WeakPolarHBondContact O-CG1 3.3Å; F139-I143 PolarHBondContact O-N 3.46Å; V140-I143 PolarHBondContact O-N 2.75Å; I143-S145 VanDerWaalsContact C-N 3.26Å; I143-S145 PolarHBondContact O-N 2.74Å; I143-A146 VanDerWaalsContact O-CB 3.27Å; I143-A146 WeakPolarHBondContact O-CB 3.49Å; I143-A146 PolarHBondContact O-N 2.75Å; I143-Y168 HydrophobicContact CG2-CE2 3.96Å; I143-Y168 WeakPolarHBondContact O-CE2 3.5Å; I143-Y168 PolarHBondContact O-OH 2.58Å; I143-L172 HydrophobicContact CG2-CD2 3.95Å; I143-L175 HydrophobicContact CD1-CD1 3.95Å; I143-L175 HydrophobicContact CG2-CD1 4.46Å
144L98.2Very high95.2Very high33 Ų3360.7 Ų60.717%0.17330%0.303CS..Hα-helixtrans-61.2-35.5-179.1-68.3175.7000112V140 E141 A146 S147 Y168 L172 I182 P183 V186V140-L144 HydrophobicContact CG1-CD1 3.87Å; V140-L144 HydrophobicContact CG1-CG 4.15Å; V140-L144 WeakPolarHBondContact O-CB 3.23Å; V140-L144 VanDerWaalsContact O-CG 3.25Å; V140-L144 WeakPolarHBondContact O-CG 3.36Å; V140-L144 PolarHBondContact O-N 2.9Å; E141-L144 PolarHBondContact O-N 3.19Å; L144-A146 PolarHBondContact O-N 2.94Å; L144-S147 VanDerWaalsContact O-CB 3.3Å; L144-S147 WeakPolarHBondContact O-CB 3.29Å; L144-S147 PolarHBondContact O-N 3.4Å; L144-S147 PolarHBondContact O-OG 3.36Å; L144-Y168 WeakPolarHBondContact CA-OH 3.39Å; L144-L172 HydrophobicContact CD2-CD2 4.14Å; L144-I182 HydrophobicContact CD2-CG2 4.27Å; L144-P183 HydrophobicContact CD1-CG 4.27Å; L144-V186 HydrophobicContact CD2-CB 4.47Å; L144-V186 HydrophobicContact CD2-CG1 4.14Å; L144-V186 HydrophobicContact CD2-CG2 4.42Å
145S97Very high95.5Very high49 Ų4958.9 Ų58.934%0.34329%0.294SS..Hα-helixtrans-63.3-25.817789.90000113.3E141 E142 I143 S147 K148E141-S145 WeakPolarHBondContact O-CB 3.29Å; E141-S145 PolarHBondContact O-N 3.3Å; E142-S145 PolarHBondContact O-N 2.81Å; E142-S145 PolarHBondContact O-OG 2.75Å; I143-S145 VanDerWaalsContact C-N 3.26Å; I143-S145 PolarHBondContact O-N 2.74Å; S145-S147 PolarHBondContact O-N 2.96Å; S145-K148 WeakPolarHBondContact O-CD 3.39Å; S145-K148 WeakPolarHBondContact O-CG 3.48Å
146A97.1Very high95.6Very high0 Ų057.6 Ų57.60%031%0.307CS..G310 helixtrans-73.6-16.1179.500000113L105 I116 E142 I143 L144 K148 Y149 Y168L105-A146 HydrophobicContact CD1-CB 4.03Å; I116-A146 HydrophobicContact CD1-CB 3.69Å; E142-A146 PolarHBondContact O-N 2.76Å; I143-A146 VanDerWaalsContact O-CB 3.27Å; I143-A146 WeakPolarHBondContact O-CB 3.49Å; I143-A146 PolarHBondContact O-N 2.75Å; L144-A146 PolarHBondContact O-N 2.94Å; A146-K148 PolarHBondContact O-N 3.18Å; A146-K148 VanDerWaalsContact O-N 3.09Å; A146-Y149 HydrophobicContact CB-CD2 4.33Å; A146-Y149 WeakPolarHBondContact O-CD2 3.38Å; A146-Y149 PolarHBondContact O-N 2.96Å; A146-Y168 HydrophobicContact CB-CE2 4.21Å
147S97.2Very high95.7Very high19 Ų1958 Ų5813%0.13331%0.308CS..G310 helixtrans-50.7-36.5176.759.50000112.7L144 S145 Y149 G150 L151L144-S147 VanDerWaalsContact O-CB 3.3Å; L144-S147 WeakPolarHBondContact O-CB 3.29Å; L144-S147 PolarHBondContact O-N 3.4Å; L144-S147 PolarHBondContact O-OG 3.36Å; S145-S147 PolarHBondContact O-N 2.96Å; S147-Y149 PolarHBondContact O-N 3.13Å; S147-G150 PolarHBondContact O-N 3.31Å; S147-L151 WeakPolarHBondContact O-CG 3.37Å; S147-L151 PolarHBondContact O-N 3.46Å
148K96.6Very high95.9Very high122 Ų12254.7 Ų54.753%0.5330%0.296SS..G310 helixtrans-53.4-29.5178.672.1-168.9174.7-175.20114.3S145 A146 G150S145-K148 WeakPolarHBondContact O-CD 3.39Å; S145-K148 WeakPolarHBondContact O-CG 3.48Å; A146-K148 PolarHBondContact O-N 3.18Å; A146-K148 VanDerWaalsContact O-N 3.09Å; K148-G150 VanDerWaalsContact C-N 3.33Å
149Y96.7Very high96.1Very high72 Ų7249.2 Ų49.228%0.28227%0.273SS..G310 helixtrans-79.7-16.4178.6-56.5-63.2000113.1L105 I109 A146 S147L105-Y149 HydrophobicContact CB-CD2 3.68Å; L105-Y149 HydrophobicContact CB-CE2 3.63Å; L105-Y149 HydrophobicContact CD1-CE2 4.48Å; I109-Y149 HydrophobicContact CG2-CD2 4.42Å; A146-Y149 HydrophobicContact CB-CD2 4.33Å; A146-Y149 WeakPolarHBondContact O-CD2 3.38Å; A146-Y149 PolarHBondContact O-N 2.96Å; S147-Y149 PolarHBondContact O-N 3.13Å
150G96.6Very high96.1Very high0 Ų048.4 Ų48.40%027%0.27CS..THydrogen-bonded Turntrans-100.8-3178.200000114.6S147 K148 R165S147-G150 PolarHBondContact O-N 3.31Å; K148-G150 VanDerWaalsContact C-N 3.33Å; G150-R165 WeakPolarHBondContact O-CD 3.39Å; G150-R165 PolarHBondContact O-NE 3.41Å
151L96.8Very high96.2Very high78 Ų7847.9 Ų47.941%0.40827%0.266SS..SBendtrans-80.8-35.5-174.9-61.6-174.9000113.5S147 V153 I190S147-L151 WeakPolarHBondContact O-CG 3.37Å; S147-L151 PolarHBondContact O-N 3.46Å; L151-V153 PolarHBondContact O-N 3.06Å; L151-I190 HydrophobicContact CD2-CD1 3.86Å; L151-I190 HydrophobicContact CD2-CG1 4.36Å
152D94.7Very high96.2Very high88 Ų8842.2 Ų42.247%0.47124%0.24SC..  trans-76.9112.4-179.8179.211.3000110D154 S155 R165D152-D154 PolarHBondContact O-N 3.26Å; D152-D154 PolarHBondContact OD1-N 2.97Å; D152-S155 WeakPolarHBondContact O-CB 3.47Å; D152-S155 PolarHBondContact O-N 3.01Å; D152-S155 PolarHBondContact O-OG 3.25Å; D152-R165 PolarHBondContact O-NH2 3.3Å
153V94.2Very high96.3Very high37 Ų3742.2 Ų42.222%0.22424%0.237CC..THydrogen-bonded Turntrans-64.6-26.4178.71780000111.2L151 A193 K196L151-V153 PolarHBondContact O-N 3.06Å; V153-A193 HydrophobicContact CG2-CB 4.18Å; V153-K196 HydrophobicContact CG2-CB 4.06Å
154D93.5Very high96.2Very high112 Ų11242.2 Ų42.260%0.59924%0.237SC*.THydrogen-bonded Turntrans-95.8-0.1-175.5-62.9-38.6000113.5D152 G156 K200D152-D154 PolarHBondContact O-N 3.26Å; D152-D154 PolarHBondContact OD1-N 2.97Å; D154-G156 PolarHBondContact O-N 3.15Å; D154-G156 VanDerWaalsContact O-N 3.16Å; D154-K200 IonicContact OD1-NZ 2.74Å; D154-K200 PolarHBondContact OD1-NZ 2.81Å
155S92.1Very high96.2Very high60 Ų6040.6 Ų40.642%0.4223%0.229SC..SBendtrans-67.8-11.5-177.961.70000115.6D152 M157D152-S155 WeakPolarHBondContact O-CB 3.47Å; D152-S155 PolarHBondContact O-N 3.01Å; D152-S155 PolarHBondContact O-OG 3.25Å; S155-M157 VanDerWaalsContact C-N 3.26Å; S155-M157 PolarHBondContact O-N 3.05Å; S155-M157 WeakPolarHBondContact OG-CB 3.25Å; S155-M157 PolarHBondContact OG-N 2.92Å
156G92.1Very high96.3Very high68 Ų6838.3 Ų38.370%0.70121%0.212SC*.  trans78.23-171.400000114.6D154D154-G156 PolarHBondContact O-N 3.15Å; D154-G156 VanDerWaalsContact O-N 3.16Å
157M95.4Very high96.3Very high12 Ų1238.3 Ų38.36%0.05921%0.212CC..  trans-60.5125.2169.7-175.267.863.700109.4I109 S155 R165I109-M157 HydrophobicContact CD1-CG 4.4Å; I109-M157 HydrophobicContact CD1-SD 4.42Å; I109-M157 HydrophobicContact CG1-CE 4.22Å; I109-M157 HydrophobicContact CG1-CG 4.4Å; I109-M157 HydrophobicContact CG1-SD 3.84Å; I109-M157 HydrophobicContact CG2-CE 3.87Å; S155-M157 VanDerWaalsContact C-N 3.26Å; S155-M157 PolarHBondContact O-N 3.05Å; S155-M157 WeakPolarHBondContact OG-CB 3.25Å; S155-M157 PolarHBondContact OG-N 2.92Å; M157-R165 HydrophobicContact CG-CG 4.21Å; M157-R165 PolarHBondContact O-NH1 3.47Å
158P96.1Very high96.4Very high27 Ų2737.4 Ų37.418%0.17521%0.206CC..  trans-71165.8178.927.9-32.2000111.5E160 G164 R165P158-E160 HydrophobicContact CB-CG 4.41Å; P158-G164 CarbonylContact O-C 3.55Å; P158-G164 WeakPolarHBondContact O-CA 3.47Å; P158-R165 PolarHBondContact O-N 2.77Å
159D97.9Very high96.5Very high13 Ų1331.6 Ų31.67%0.0718%0.181CC..  trans-95.3-22176.9-68.1-47.5000113R165 T166 S197 F230 I247D159-R165 WeakPolarHBondContact OD1-CD 3.33Å; D159-R165 IonicContact OD1-CZ 3.77Å; D159-R165 IonicContact OD1-NE 3.59Å; D159-R165 IonicContact OD1-NH1 2.68Å; D159-R165 PolarHBondContact OD1-NH1 2.8Å; D159-T166 WeakPolarHBondContact O-CB 2.92Å; D159-T166 PolarHBondContact O-N 3.38Å; D159-T166 PolarHBondContact O-OG1 3.07Å; D159-S197 WeakPolarHBondContact OD2-CB 3.47Å; D159-S197 PolarHBondContact OD2-OG 2.95Å; D159-F230 HydrophobicContact CB-CD1 3.97Å; D159-F230 HydrophobicContact CB-CE1 4.31Å; D159-I247 HydrophobicContact CB-CD1 4.02Å
160E97.9Very high96.6Very high4 Ų428.1 Ų28.12%0.01917%0.167CC..SBendtrans-68.4173.3-171.559.966.8-107.200115.3P158 L162 Y163 G164 W232 H242P158-E160 HydrophobicContact CB-CG 4.41Å; E160-L162 WeakPolarHBondContact OE2-CB 3.42Å; E160-L162 PolarHBondContact OE2-N 3.39Å; E160-Y163 VanDerWaalsContact OE1-CA 3.3Å; E160-Y163 WeakPolarHBondContact OE1-CA 3.19Å; E160-Y163 VanDerWaalsContact OE1-CB 3.26Å; E160-Y163 WeakPolarHBondContact OE1-CB 3.27Å; E160-Y163 PolarHBondContact OE1-N 3.23Å; E160-G164 CarbonylContact O-C 3.55Å; E160-G164 WeakPolarHBondContact O-CA 3.37Å; E160-G164 PolarHBondContact O-N 3.47Å; E160-G164 PolarHBondContact OE1-N 3.12Å; E160-G164 VanDerWaalsContact OE1-N 3.15Å; E160-W232 HydrophobicContact CG-CB 3.95Å; E160-W232 HydrophobicContact CG-CD2 4.21Å; E160-W232 HydrophobicContact CG-CG 3.67Å; E160-H242 VanDerWaalsContact CB-O 3.29Å; E160-H242 WeakPolarHBondContact CB-O 3.17Å; E160-H242 HydrophobicContact CG-CB 4.42Å; E160-H242 IonicContact OE2-CE1 2.8Å; E160-H242 IonicContact OE2-CG 3.22Å; E160-H242 IonicContact OE2-ND1 3.48Å; E160-H242 PolarHBondContact OE2-ND1 3.37Å
161A98.1Very high96.7Very high0 Ų028.1 Ų28.10%017%0.167CC..THydrogen-bonded Turntrans-74.1-35.9-166.900000113S110 Y112 T166 G167 A241 L426S110-A161 PolarHBondContact OG-O 3.44Å; Y112-A161 WeakPolarHBondContact CD2-O 3.36Å; Y112-A161 HydrophobicContact CE2-CB 4.3Å; A161-T166 HydrophobicContact CB-CG2 4.03Å; A161-G167 WeakPolarHBondContact O-CA 3.3Å; A161-A241 WeakPolarHBondContact CB-O 3.43Å; A161-A241 PolarHBondContact N-O 3.33Å; A161-L426 HydrophobicContact CB-CD2 4.41Å
162L97.9Very high96.7Very high6 Ų624.5 Ų24.53%0.03115%0.148CC..THydrogen-bonded Turntrans-80.2-26.4-169.5-64.9-161.3000114.3Y56 S110 Y112 T113 E160 A241 H242 W304Y56-L162 HydrophobicContact CD2-CD1 4.16Å; Y56-L162 HydrophobicContact CD2-CD2 3.83Å; Y56-L162 HydrophobicContact CE2-CD1 3.74Å; Y56-L162 HydrophobicContact CE2-CD2 3.97Å; S110-L162 VanDerWaalsContact CB-C 3.4Å; S110-L162 WeakPolarHBondContact CB-O 3.45Å; S110-L162 PolarHBondContact OG-O 3.44Å; S110-L162 VanDerWaalsContact OG-O 3.05Å; Y112-L162 HydrophobicContact CD1-CD2 3.93Å; Y112-L162 HydrophobicContact CD2-CD2 4.08Å; Y112-L162 HydrophobicContact CE1-CD2 4.45Å; Y112-L162 HydrophobicContact CG-CD2 3.7Å; T113-L162 WeakPolarHBondContact CB-O 3.42Å; T113-L162 WeakPolarHBondContact CG2-O 3.29Å; T113-L162 PolarHBondContact OG1-O 3Å; E160-L162 WeakPolarHBondContact OE2-CB 3.42Å; E160-L162 PolarHBondContact OE2-N 3.39Å; L162-A241 HydrophobicContact CD1-CB 3.92Å; L162-A241 HydrophobicContact CG-CB 3.97Å; L162-A241 PolarHBondContact N-O 3.04Å; L162-H242 VanDerWaalsContact CD1-CE1 3.5Å; L162-H242 WeakPolarHBondContact CD1-CE1 3.3Å; L162-W304 HydrophobicContact CD2-CH2 3.97Å; L162-W304 HydrophobicContact CD2-CZ3 4.29Å
163Y97.3Very high96.9Very high86 Ų8620.3 Ų20.334%0.33713%0.126SC..THydrogen-bonded Turntrans-132-14.8-177-55.2-80.2000113.6N108 T113 E160 W232 H242N108-Y163 WeakPolarHBondContact OD1-CA 3.07Å; N108-Y163 PolarHBondContact OD1-O 3.4Å; T113-Y163 HydrophobicContact CG2-CD1 4.44Å; T113-Y163 HydrophobicContact CG2-CE1 3.99Å; T113-Y163 VanDerWaalsContact OG1-CD1 3.29Å; T113-Y163 WeakPolarHBondContact OG1-CD1 3.19Å; E160-Y163 VanDerWaalsContact OE1-CA 3.3Å; E160-Y163 WeakPolarHBondContact OE1-CA 3.19Å; E160-Y163 VanDerWaalsContact OE1-CB 3.26Å; E160-Y163 WeakPolarHBondContact OE1-CB 3.27Å; E160-Y163 PolarHBondContact OE1-N 3.23Å; Y163-W232 AromaticContact CD2-CE2 3.78Å; Y163-W232 HydrophobicContact CD2-CH2 4.33Å; Y163-W232 AromaticContact CD2-CZ2 3.37Å; Y163-W232 HydrophobicContact CD2-CZ2 3.37Å; Y163-W232 AromaticContact CD2-NE1 3.88Å; Y163-W232 AromaticContact CE2-CH2 3.82Å; Y163-W232 HydrophobicContact CE2-CH2 3.82Å; Y163-W232 AromaticContact CE2-CZ2 3.23Å; Y163-W232 HydrophobicContact CE2-CZ2 3.23Å; Y163-W232 HydrophobicContact CG-CZ2 4.48Å; Y163-H242 AromaticContact CE2-CE1 3.81Å
164G96.6Very high97Very high0 Ų019.1 Ų19.10%012%0.119CC..SBendtrans-106.4-166-166.100000117.8P158 E160 T166 G167 Y168P158-G164 CarbonylContact O-C 3.55Å; P158-G164 WeakPolarHBondContact O-CA 3.47Å; E160-G164 CarbonylContact O-C 3.55Å; E160-G164 WeakPolarHBondContact O-CA 3.37Å; E160-G164 PolarHBondContact O-N 3.47Å; E160-G164 PolarHBondContact OE1-N 3.12Å; E160-G164 VanDerWaalsContact OE1-N 3.15Å; G164-T166 VanDerWaalsContact C-N 3.32Å; G164-T166 PolarHBondContact O-N 3.39Å; G164-G167 PolarHBondContact O-N 3.12Å; G164-G167 VanDerWaalsContact O-N 3.13Å; G164-Y168 PolarHBondContact O-N 3.37Å
165R98.3Very high97.1Very high0 Ų013.8 Ų13.80%09%0.09CC..Hα-helixtrans-58.7-37.6179.8-64.1-176.1-174.176.57.5112.7I109 G150 D152 M157 P158 D159 G167 Y168 L169 I190 I194I109-R165 HydrophobicContact CD1-CG 4.44Å; G150-R165 WeakPolarHBondContact O-CD 3.39Å; G150-R165 PolarHBondContact O-NE 3.41Å; D152-R165 PolarHBondContact O-NH2 3.3Å; M157-R165 HydrophobicContact CG-CG 4.21Å; M157-R165 PolarHBondContact O-NH1 3.47Å; P158-R165 PolarHBondContact O-N 2.77Å; D159-R165 WeakPolarHBondContact OD1-CD 3.33Å; D159-R165 IonicContact OD1-CZ 3.77Å; D159-R165 IonicContact OD1-NE 3.59Å; D159-R165 IonicContact OD1-NH1 2.68Å; D159-R165 PolarHBondContact OD1-NH1 2.8Å; R165-G167 VanDerWaalsContact C-N 3.32Å; R165-G167 PolarHBondContact O-N 2.88Å; R165-Y168 WeakPolarHBondContact O-CB 3.33Å; R165-Y168 PolarHBondContact O-N 2.99Å; R165-L169 PolarHBondContact O-N 2.74Å; R165-I190 HydrophobicContact CB-CG2 4.01Å; R165-I194 HydrophobicContact CB-CD1 3.72Å; R165-I194 HydrophobicContact CB-CG1 3.55Å; R165-I194 HydrophobicContact CG-CG1 4.31Å
166T98.5Very high97.3Very high0 Ų015.4 Ų15.40%09%0.087CC..Hα-helixtrans-63.8-38.4175.7-73.80000111.8D159 A161 G164 Y168 L169 N170 T250D159-T166 WeakPolarHBondContact O-CB 2.92Å; D159-T166 PolarHBondContact O-N 3.38Å; D159-T166 PolarHBondContact O-OG1 3.07Å; A161-T166 HydrophobicContact CB-CG2 4.03Å; G164-T166 VanDerWaalsContact C-N 3.32Å; G164-T166 PolarHBondContact O-N 3.39Å; T166-Y168 VanDerWaalsContact C-N 3.29Å; T166-Y168 PolarHBondContact O-N 2.83Å; T166-L169 PolarHBondContact O-N 3.13Å; T166-N170 PolarHBondContact O-N 3.18Å; T166-N170 PolarHBondContact O-ND2 3.5Å; T166-T250 HydrophobicContact CG2-CG2 4.16Å; T166-T250 WeakPolarHBondContact CG2-OG1 3.5Å
167G98.5Very high97.4Very high0 Ų015 Ų150%07%0.067CC..Hα-helixtrans-60.6-38.2173.600000113.1S110 V111 A161 G164 R165 N170 C171S110-G167 WeakPolarHBondContact OG-CA 3.4Å; V111-G167 WeakPolarHBondContact CB-O 3.43Å; V111-G167 WeakPolarHBondContact CG1-O 3.38Å; V111-G167 PolarHBondContact N-O 3.48Å; A161-G167 WeakPolarHBondContact O-CA 3.3Å; G164-G167 PolarHBondContact O-N 3.12Å; G164-G167 VanDerWaalsContact O-N 3.13Å; R165-G167 VanDerWaalsContact C-N 3.32Å; R165-G167 PolarHBondContact O-N 2.88Å; G167-N170 PolarHBondContact O-N 3Å; G167-C171 PolarHBondContact O-N 3.32Å
168Y98.6Very high97.2Very high0 Ų017.3 Ų17.30%08%0.079CC..Hα-helixtrans-67.3-45.2173.8179.1-104.4000111.9I109 I116 I143 L144 A146 G164 R165 T166 N170 C171 L172 V186 I190I109-Y168 HydrophobicContact CB-CD2 4.46Å; I109-Y168 HydrophobicContact CD1-CG 4.09Å; I109-Y168 HydrophobicContact CG1-CG 4.5Å; I116-Y168 HydrophobicContact CD1-CD2 4.45Å; I116-Y168 HydrophobicContact CD1-CE2 4.37Å; I116-Y168 HydrophobicContact CG1-CD2 4.33Å; I143-Y168 HydrophobicContact CG2-CE2 3.96Å; I143-Y168 WeakPolarHBondContact O-CE2 3.5Å; I143-Y168 PolarHBondContact O-OH 2.58Å; L144-Y168 WeakPolarHBondContact CA-OH 3.39Å; A146-Y168 HydrophobicContact CB-CE2 4.21Å; G164-Y168 PolarHBondContact O-N 3.37Å; R165-Y168 WeakPolarHBondContact O-CB 3.33Å; R165-Y168 PolarHBondContact O-N 2.99Å; T166-Y168 VanDerWaalsContact C-N 3.29Å; T166-Y168 PolarHBondContact O-N 2.83Å; Y168-N170 VanDerWaalsContact C-N 3.26Å; Y168-N170 PolarHBondContact O-N 3.05Å; Y168-C171 VanDerWaalsContact O-CB 3.27Å; Y168-C171 WeakPolarHBondContact O-CB 3.49Å; Y168-C171 PolarHBondContact O-N 3.37Å; Y168-L172 HydrophobicContact CD1-CD1 4.27Å; Y168-L172 HydrophobicContact CE1-CD1 3.67Å; Y168-L172 HydrophobicContact CE1-CD2 4.45Å; Y168-L172 HydrophobicContact CE1-CG 4.12Å; Y168-L172 PolarHBondContact O-N 3.24Å; Y168-V186 HydrophobicContact CE1-CG1 4.42Å; Y168-I190 HydrophobicContact CD1-CD1 4.17Å; Y168-I190 HydrophobicContact CD1-CG1 3.98Å; Y168-I190 HydrophobicContact CD1-CG2 4.31Å; Y168-I190 HydrophobicContact CE1-CD1 4.21Å; Y168-I190 HydrophobicContact CE1-CG1 3.87Å
169L98.6Very high97Very high0 Ų023.3 Ų23.30%011%0.11CC..Hα-helixtrans-60.3-35.3174.5-73.1-179.2000112.6R165 T166 C171 L172 V173 V187 I190 I194 T250 V254R165-L169 PolarHBondContact O-N 2.74Å; T166-L169 PolarHBondContact O-N 3.13Å; L169-C171 VanDerWaalsContact C-N 3.28Å; L169-C171 PolarHBondContact O-N 3Å; L169-L172 HydrophobicContact CD2-CD1 4.3Å; L169-L172 PolarHBondContact O-N 3.43Å; L169-L172 VanDerWaalsContact O-N 3.12Å; L169-V173 WeakPolarHBondContact O-CB 3.48Å; L169-V173 WeakPolarHBondContact O-CG2 3.33Å; L169-V173 PolarHBondContact O-N 3.25Å; L169-V187 HydrophobicContact CD2-CG1 4.22Å; L169-I190 HydrophobicContact CD1-CG2 4.06Å; L169-I190 HydrophobicContact CD2-CB 3.98Å; L169-I190 HydrophobicContact CD2-CG2 3.76Å; L169-I190 HydrophobicContact CG-CB 4.43Å; L169-I190 HydrophobicContact CG-CG2 3.67Å; L169-I194 HydrophobicContact CD1-CD1 3.49Å; L169-I194 VanDerWaalsContact CD1-CD1 3.49Å; L169-I194 HydrophobicContact CG-CD1 4.43Å; L169-T250 HydrophobicContact CB-CG2 3.58Å; L169-T250 HydrophobicContact CD1-CG2 4.24Å; L169-V254 HydrophobicContact CD1-CG2 4.36Å
170N98.5Very high96.8Very high0 Ų023.9 Ų23.90%011%0.112CC..Hα-helixtrans-61.9-34.5174.9-71.5-24000112.4V111 T166 G167 Y168 T174 T250V111-N170 HydrophobicContact CG1-CB 4.25Å; T166-N170 PolarHBondContact O-N 3.18Å; T166-N170 PolarHBondContact O-ND2 3.5Å; G167-N170 PolarHBondContact O-N 3Å; Y168-N170 VanDerWaalsContact C-N 3.26Å; Y168-N170 PolarHBondContact O-N 3.05Å; N170-T174 WeakPolarHBondContact O-CB 3.27Å; N170-T174 PolarHBondContact O-N 3.34Å; N170-T174 PolarHBondContact O-OG1 3.29Å; N170-T250 VanDerWaalsContact OD1-CG2 3.27Å; N170-T250 WeakPolarHBondContact OD1-CG2 3.43Å; N170-T250 PolarHBondContact OD1-OG1 3Å
171C98.5Very high96.6Very high0 Ų030 Ų300%015%0.145CC..Hα-helixtrans-62.3-51.4169.4179.30000111.1V111 I116 C120 G167 Y168 L169 V173 T174 L175V111-C171 HydrophobicContact CB-CB 3.88Å; V111-C171 HydrophobicContact CG2-CB 3.87Å; I116-C171 HydrophobicContact CG2-CB 3.78Å; C120-C171 VanDerWaalsContact SG-SG 3.69Å; G167-C171 PolarHBondContact O-N 3.32Å; Y168-C171 VanDerWaalsContact O-CB 3.27Å; Y168-C171 WeakPolarHBondContact O-CB 3.49Å; Y168-C171 PolarHBondContact O-N 3.37Å; L169-C171 VanDerWaalsContact C-N 3.28Å; L169-C171 PolarHBondContact O-N 3Å; C171-V173 VanDerWaalsContact C-N 3.32Å; C171-V173 PolarHBondContact O-N 3.45Å; C171-T174 WeakPolarHBondContact O-CB 3.42Å; C171-T174 PolarHBondContact O-N 2.97Å; C171-T174 VanDerWaalsContact O-N 3.12Å; C171-L175 WeakPolarHBondContact O-CG 3.4Å; C171-L175 PolarHBondContact O-N 3.22Å
172L98.3Very high96.6Very high1 Ų130.1 Ų30.11%0.00515%0.146CC..Hα-helixtrans-61.1-40.8-178-60.7-168.8000112.4I143 L144 Y168 L169 L175 R176 I182 V186 V187I143-L172 HydrophobicContact CG2-CD2 3.95Å; L144-L172 HydrophobicContact CD2-CD2 4.14Å; Y168-L172 HydrophobicContact CD1-CD1 4.27Å; Y168-L172 HydrophobicContact CE1-CD1 3.67Å; Y168-L172 HydrophobicContact CE1-CD2 4.45Å; Y168-L172 HydrophobicContact CE1-CG 4.12Å; Y168-L172 PolarHBondContact O-N 3.24Å; L169-L172 HydrophobicContact CD2-CD1 4.3Å; L169-L172 PolarHBondContact O-N 3.43Å; L169-L172 VanDerWaalsContact O-N 3.12Å; L172-L175 PolarHBondContact O-N 3.41Å; L172-R176 WeakPolarHBondContact O-CB 3.24Å; L172-R176 PolarHBondContact O-N 3.12Å; L172-I182 HydrophobicContact CB-CG2 4.2Å; L172-I182 HydrophobicContact CD1-CG2 4.22Å; L172-I182 HydrophobicContact CD2-CG2 4.14Å; L172-I182 HydrophobicContact CG-CG2 4.42Å; L172-V186 HydrophobicContact CD1-CG1 4.11Å; L172-V187 HydrophobicContact CD1-CG2 3.86Å
173V97.6Very high96.5Very high0 Ų032.3 Ų32.30%016%0.16CC..Hα-helixtrans-61.2-48173.1164.60000110.7L169 C171 L175 R176 E177 K253 V254 L257 F258L169-V173 WeakPolarHBondContact O-CB 3.48Å; L169-V173 WeakPolarHBondContact O-CG2 3.33Å; L169-V173 PolarHBondContact O-N 3.25Å; C171-V173 VanDerWaalsContact C-N 3.32Å; C171-V173 PolarHBondContact O-N 3.45Å; V173-L175 VanDerWaalsContact C-N 3.33Å; V173-L175 PolarHBondContact O-N 3.29Å; V173-R176 PolarHBondContact O-N 3.19Å; V173-E177 HydrophobicContact CG1-CG 4.47Å; V173-E177 WeakPolarHBondContact O-CG 3.43Å; V173-E177 PolarHBondContact O-N 2.83Å; V173-K253 HydrophobicContact CG1-CB 4.46Å; V173-K253 HydrophobicContact CG1-CD 4.05Å; V173-K253 HydrophobicContact CG2-CB 4.47Å; V173-V254 HydrophobicContact CG2-CG2 3.89Å; V173-L257 HydrophobicContact CG1-CD1 3.71Å; V173-F258 HydrophobicContact CG2-CE2 4.15Å
174T96.9Very high96.6Very high13 Ų1332 Ų328%0.0816%0.164CC..Hα-helixtrans-60.7-42.9179.2-60.70000111.5L124 N170 C171 E177 N178 L425L124-T174 HydrophobicContact CD1-CG2 4Å; L124-T174 HydrophobicContact CD2-CG2 4.41Å; N170-T174 WeakPolarHBondContact O-CB 3.27Å; N170-T174 PolarHBondContact O-N 3.34Å; N170-T174 PolarHBondContact O-OG1 3.29Å; C171-T174 WeakPolarHBondContact O-CB 3.42Å; C171-T174 PolarHBondContact O-N 2.97Å; C171-T174 VanDerWaalsContact O-N 3.12Å; T174-E177 PolarHBondContact O-N 3.06Å; T174-N178 PolarHBondContact O-N 3.32Å; T174-N178 PolarHBondContact O-ND2 3.19Å; T174-L425 HydrophobicContact CG2-CD2 4.32Å
175L96.1Very high96.6Very high0 Ų035.8 Ų35.80%019%0.19CC..Hα-helixtrans-64.2-44.1175.6-67.8174.6000111A123 L124 V140 I143 C171 L172 V173 E177 N178 N179 F180 I182A123-L175 HydrophobicContact CB-CD2 3.71Å; L124-L175 HydrophobicContact CD2-CD2 4.26Å; L124-L175 HydrophobicContact CG-CD2 4.42Å; V140-L175 HydrophobicContact CG2-CD1 4.37Å; I143-L175 HydrophobicContact CD1-CD1 3.95Å; I143-L175 HydrophobicContact CG2-CD1 4.46Å; C171-L175 WeakPolarHBondContact O-CG 3.4Å; C171-L175 PolarHBondContact O-N 3.22Å; L172-L175 PolarHBondContact O-N 3.41Å; V173-L175 VanDerWaalsContact C-N 3.33Å; V173-L175 PolarHBondContact O-N 3.29Å; L175-E177 PolarHBondContact O-N 3.34Å; L175-N178 CarbonylContact O-C 3.18Å; L175-N178 VanDerWaalsContact O-C 3.32Å; L175-N178 WeakPolarHBondContact O-CA 3.39Å; L175-N178 PolarHBondContact O-N 3.43Å; L175-N179 PolarHBondContact O-N 2.96Å; L175-F180 HydrophobicContact CB-CB 3.99Å; L175-F180 HydrophobicContact CB-CD2 4.16Å; L175-F180 HydrophobicContact CB-CG 4.24Å; L175-F180 HydrophobicContact CD2-CD2 3.93Å; L175-F180 HydrophobicContact CD2-CE2 4.09Å; L175-F180 HydrophobicContact CD2-CG 4.31Å; L175-F180 WeakPolarHBondContact O-CB 3.39Å; L175-F180 VanDerWaalsContact O-CD2 3.3Å; L175-F180 WeakPolarHBondContact O-CD2 3.41Å; L175-F180 PolarHBondContact O-N 3.37Å; L175-I182 HydrophobicContact CB-CD1 4.02Å; L175-I182 HydrophobicContact CB-CG1 4.26Å; L175-I182 HydrophobicContact CD1-CD1 4.06Å
176R95.8Very high96.6Very high93 Ų9336.9 Ų36.935%0.35120%0.197SC..Hα-helixtrans-61.6-41.9176.9-178.160.2170.9-175.8-0.5112.6L172 V173 N178 N179 D181 L257 F258L172-R176 WeakPolarHBondContact O-CB 3.24Å; L172-R176 PolarHBondContact O-N 3.12Å; V173-R176 PolarHBondContact O-N 3.19Å; R176-N178 PolarHBondContact O-N 2.67Å; R176-N179 PolarHBondContact O-N 2.87Å; R176-D181 IonicContact NH1-OD1 2.99Å; R176-L257 HydrophobicContact CG-CB 4.42Å; R176-F258 HydrophobicContact CB-CE1 4.05Å; R176-F258 HydrophobicContact CB-CE2 4.14Å; R176-F258 HydrophobicContact CB-CZ 3.46Å; R176-F258 VanDerWaalsContact CB-CZ 3.46Å; R176-F258 HydrophobicContact CG-CE1 3.84Å; R176-F258 HydrophobicContact CG-CE2 4.21Å; R176-F258 HydrophobicContact CG-CZ 3.63Å
177E93.3Very high96.6Very high60 Ų6036.9 Ų36.928%0.2820%0.197SC..Hα-helixtrans-62.3-23.9174-72.2-178.2117.900112.3V173 T174 L175 K253 L257 K422V173-E177 HydrophobicContact CG1-CG 4.47Å; V173-E177 WeakPolarHBondContact O-CG 3.43Å; V173-E177 PolarHBondContact O-N 2.83Å; T174-E177 PolarHBondContact O-N 3.06Å; L175-E177 PolarHBondContact O-N 3.34Å; E177-K253 IonicContact OE1-NZ 2.75Å; E177-K253 IonicContact OE2-NZ 2.74Å; E177-K253 PolarHBondContact OE2-NZ 3.15Å; E177-L257 HydrophobicContact CG-CD1 3.89Å; E177-K422 IonicContact OE1-NZ 3.6Å; E177-K422 PolarHBondContact OE1-NZ 2.92Å
178N91.7Very high96.6Very high60 Ų6038.3 Ų38.332%0.32121%0.207SC..THydrogen-bonded Turntrans-9722.5174-74-87.9000113.4L124 T174 L175 R176 F180L124-N178 HydrophobicContact CD2-CB 3.72Å; T174-N178 PolarHBondContact O-N 3.32Å; T174-N178 PolarHBondContact O-ND2 3.19Å; L175-N178 CarbonylContact O-C 3.18Å; L175-N178 VanDerWaalsContact O-C 3.32Å; L175-N178 WeakPolarHBondContact O-CA 3.39Å; L175-N178 PolarHBondContact O-N 3.43Å; R176-N178 PolarHBondContact O-N 2.67Å; N178-F180 VanDerWaalsContact C-N 3.31Å; N178-F180 HydrophobicContact CB-CD2 4.09Å; N178-F180 HydrophobicContact CB-CE2 4.19Å; N178-F180 PolarHBondContact O-N 3.27Å
179N92.3Very high96.6Very high153 Ų15340.9 Ų40.982%0.81822%0.224SC*.THydrogen-bonded Turntrans65.722174.8-50.5-69.9000115.7L175 R176L175-N179 PolarHBondContact O-N 2.96Å; R176-N179 PolarHBondContact O-N 2.87Å
180F93.8Very high96.5Very high26 Ų2640.9 Ų40.911%0.11422%0.224CC..  trans-74.4143167.8-71.8-91.4000110.9A123 L124 V127 A136 V140 L175 N178 I182A123-F180 HydrophobicContact CB-CE1 4.37Å; A123-F180 HydrophobicContact CB-CZ 4.13Å; A123-F180 WeakPolarHBondContact O-CZ 3.37Å; L124-F180 HydrophobicContact CD2-CE2 4.39Å; V127-F180 HydrophobicContact CG2-CE1 4.33Å; V127-F180 HydrophobicContact CG2-CE2 3.76Å; V127-F180 HydrophobicContact CG2-CZ 3.35Å; A136-F180 HydrophobicContact CB-CE1 4.03Å; A136-F180 HydrophobicContact CB-CZ 4.35Å; V140-F180 HydrophobicContact CG2-CD1 3.61Å; V140-F180 HydrophobicContact CG2-CE1 3.8Å; V140-F180 HydrophobicContact CG2-CG 4.41Å; L175-F180 HydrophobicContact CB-CB 3.99Å; L175-F180 HydrophobicContact CB-CD2 4.16Å; L175-F180 HydrophobicContact CB-CG 4.24Å; L175-F180 HydrophobicContact CD2-CD2 3.93Å; L175-F180 HydrophobicContact CD2-CE2 4.09Å; L175-F180 HydrophobicContact CD2-CG 4.31Å; L175-F180 WeakPolarHBondContact O-CB 3.39Å; L175-F180 VanDerWaalsContact O-CD2 3.3Å; L175-F180 WeakPolarHBondContact O-CD2 3.41Å; L175-F180 PolarHBondContact O-N 3.37Å; N178-F180 VanDerWaalsContact C-N 3.31Å; N178-F180 HydrophobicContact CB-CD2 4.09Å; N178-F180 HydrophobicContact CB-CE2 4.19Å; N178-F180 PolarHBondContact O-N 3.27Å; F180-I182 HydrophobicContact CB-CD1 4.23Å; F180-I182 HydrophobicContact CB-CG1 4.42Å; F180-I182 PolarHBondContact O-N 3.3Å
181D93.5Very high96.5Very high133 Ų13340.9 Ų40.971%0.71122%0.224SC*.  trans-82114.7171.1-168.430000109.7R176R176-D181 IonicContact NH1-OD1 2.99Å
182I97.4Very high96.5Very high2 Ų243.7 Ų43.71%0.0124%0.24CC..  trans-119.5121.4-176.8-58.6-60.4000107.3V140 L144 L172 L175 F180 I184 V187 F258V140-I182 HydrophobicContact CG1-CD1 4.02Å; L144-I182 HydrophobicContact CD2-CG2 4.27Å; L172-I182 HydrophobicContact CB-CG2 4.2Å; L172-I182 HydrophobicContact CD1-CG2 4.22Å; L172-I182 HydrophobicContact CD2-CG2 4.14Å; L172-I182 HydrophobicContact CG-CG2 4.42Å; L175-I182 HydrophobicContact CB-CD1 4.02Å; L175-I182 HydrophobicContact CB-CG1 4.26Å; L175-I182 HydrophobicContact CD1-CD1 4.06Å; F180-I182 HydrophobicContact CB-CD1 4.23Å; F180-I182 HydrophobicContact CB-CG1 4.42Å; F180-I182 PolarHBondContact O-N 3.3Å; I182-I184 PolarHBondContact O-N 2.93Å; I182-V187 HydrophobicContact CG2-CG2 3.83Å; I182-F258 HydrophobicContact CB-CE1 3.89Å; I182-F258 HydrophobicContact CB-CZ 4.24Å; I182-F258 HydrophobicContact CG2-CE1 4.04Å; I182-F258 HydrophobicContact CG2-CZ 4.23Å
183P97.5Very high96.5Very high51 Ų5143.9 Ų43.933%0.33124%0.241SC..  trans-59.9123.9-177.6-25.434.1000112.4L144 S185 V186 V187L144-P183 HydrophobicContact CD1-CG 4.27Å; P183-S185 PolarHBondContact O-N 2.77Å; P183-S185 VanDerWaalsContact O-N 3.17Å; P183-V186 HydrophobicContact CB-CG2 4.11Å; P183-V186 HydrophobicContact CG-CG2 4.49Å; P183-V186 PolarHBondContact O-N 3.38Å; P183-V187 PolarHBondContact O-N 2.66Å
184I97.6Very high96.6Very high81 Ų8143.9 Ų43.942%0.41524%0.241SC..Hα-helixtrans-56.8-33177.2-64.6172.8000111I182 V186 V187 S188 F258I182-I184 PolarHBondContact O-N 2.93Å; I184-V186 VanDerWaalsContact C-N 3.33Å; I184-V186 PolarHBondContact O-N 3.27Å; I184-V187 PolarHBondContact O-N 3.11Å; I184-S188 VanDerWaalsContact O-CB 3.25Å; I184-S188 WeakPolarHBondContact O-CB 3.46Å; I184-S188 PolarHBondContact O-N 3.35Å; I184-F258 HydrophobicContact CG1-CD1 4.42Å
185S97.6Very high96.7Very high78 Ų7843.5 Ų43.555%0.54524%0.238SC..Hα-helixtrans-60.2-39.1176.954.30000113P183 S189P183-S185 PolarHBondContact O-N 2.77Å; P183-S185 VanDerWaalsContact O-N 3.17Å; S185-S189 WeakPolarHBondContact O-CB 3.49Å; S185-S189 PolarHBondContact O-N 3.49Å; S185-S189 PolarHBondContact O-OG 2.9Å
186V98.1Very high96.8Very high24 Ų2449.1 Ų49.115%0.14526%0.263CS..Hα-helixtrans-68.5-46.2177.5173.80000110.2L144 Y168 L172 P183 I184 S189 I190L144-V186 HydrophobicContact CD2-CB 4.47Å; L144-V186 HydrophobicContact CD2-CG1 4.14Å; L144-V186 HydrophobicContact CD2-CG2 4.42Å; Y168-V186 HydrophobicContact CE1-CG1 4.42Å; L172-V186 HydrophobicContact CD1-CG1 4.11Å; P183-V186 HydrophobicContact CB-CG2 4.11Å; P183-V186 HydrophobicContact CG-CG2 4.49Å; P183-V186 PolarHBondContact O-N 3.38Å; I184-V186 VanDerWaalsContact C-N 3.33Å; I184-V186 PolarHBondContact O-N 3.27Å; V186-S189 PolarHBondContact O-N 3.33Å; V186-I190 WeakPolarHBondContact O-CG1 3.1Å; V186-I190 PolarHBondContact O-N 3.45Å
187V98.5Very high96.9Very high0 Ų045.5 Ų45.50%025%0.252CS..Hα-helixtrans-62.2-46.2178.5178.90000111.2L169 L172 I182 P183 I184 I190 T191 V254 F258L169-V187 HydrophobicContact CD2-CG1 4.22Å; L172-V187 HydrophobicContact CD1-CG2 3.86Å; I182-V187 HydrophobicContact CG2-CG2 3.83Å; P183-V187 PolarHBondContact O-N 2.66Å; I184-V187 PolarHBondContact O-N 3.11Å; V187-I190 PolarHBondContact O-N 3.12Å; V187-T191 WeakPolarHBondContact O-CB 3.34Å; V187-T191 PolarHBondContact O-N 3.38Å; V187-T191 PolarHBondContact O-OG1 2.91Å; V187-V254 HydrophobicContact CG1-CB 4.47Å; V187-V254 HydrophobicContact CG1-CG1 3.46Å; V187-V254 VanDerWaalsContact CG1-CG1 3.46Å; V187-V254 HydrophobicContact CG1-CG2 4.2Å; V187-F258 HydrophobicContact CB-CG 4.42Å; V187-F258 HydrophobicContact CG1-CB 4.25Å; V187-F258 HydrophobicContact CG1-CD2 3.9Å; V187-F258 HydrophobicContact CG1-CE2 4.35Å; V187-F258 HydrophobicContact CG1-CG 4Å; V187-F258 HydrophobicContact CG2-CD1 3.95Å; V187-F258 HydrophobicContact CG2-CD2 4.31Å; V187-F258 HydrophobicContact CG2-CE1 3.81Å; V187-F258 HydrophobicContact CG2-CE2 4.18Å; V187-F258 HydrophobicContact CG2-CG 4.18Å; V187-F258 HydrophobicContact CG2-CZ 3.9Å
188S98.2Very high97.1Very high30 Ų3042.6 Ų42.621%0.2124%0.238CC..Hα-helixtrans-61.3-45.2177.8-179.80000111.1I184 I190 T191 D192 S261I184-S188 VanDerWaalsContact O-CB 3.25Å; I184-S188 WeakPolarHBondContact O-CB 3.46Å; I184-S188 PolarHBondContact O-N 3.35Å; S188-I190 PolarHBondContact O-N 2.7Å; S188-T191 PolarHBondContact O-N 2.99Å; S188-D192 WeakPolarHBondContact O-CB 3Å; S188-D192 PolarHBondContact O-N 3.13Å; S188-S261 PolarHBondContact OG-O 3.09Å
189S98Very high97.4Very high53 Ų5344 Ų4437%0.37124%0.242SC..Hα-helixtrans-62.9-41.1-178.3-57.60000112.7S185 V186 A193S185-S189 WeakPolarHBondContact O-CB 3.49Å; S185-S189 PolarHBondContact O-N 3.49Å; S185-S189 PolarHBondContact O-OG 2.9Å; V186-S189 PolarHBondContact O-N 3.33Å; S189-A193 PolarHBondContact O-N 3.28Å; S189-A193 VanDerWaalsContact O-N 3.12Å
190I98.4Very high97.7Very high0 Ų042.4 Ų42.40%023%0.229CC..Hα-helixtrans-70.5-39.7176-63.6-71.3000111L151 R165 Y168 L169 V186 V187 S188 A193 I194L151-I190 HydrophobicContact CD2-CD1 3.86Å; L151-I190 HydrophobicContact CD2-CG1 4.36Å; R165-I190 HydrophobicContact CB-CG2 4.01Å; Y168-I190 HydrophobicContact CD1-CD1 4.17Å; Y168-I190 HydrophobicContact CD1-CG1 3.98Å; Y168-I190 HydrophobicContact CD1-CG2 4.31Å; Y168-I190 HydrophobicContact CE1-CD1 4.21Å; Y168-I190 HydrophobicContact CE1-CG1 3.87Å; L169-I190 HydrophobicContact CD1-CG2 4.06Å; L169-I190 HydrophobicContact CD2-CB 3.98Å; L169-I190 HydrophobicContact CD2-CG2 3.76Å; L169-I190 HydrophobicContact CG-CB 4.43Å; L169-I190 HydrophobicContact CG-CG2 3.67Å; V186-I190 WeakPolarHBondContact O-CG1 3.1Å; V186-I190 PolarHBondContact O-N 3.45Å; V187-I190 PolarHBondContact O-N 3.12Å; S188-I190 PolarHBondContact O-N 2.7Å; I190-A193 WeakPolarHBondContact O-CB 3.3Å; I190-A193 PolarHBondContact O-N 3.17Å; I190-I194 HydrophobicContact CG2-CD1 4.37Å; I190-I194 WeakPolarHBondContact O-CG1 3Å; I190-I194 PolarHBondContact O-N 3.14Å
191T98.5Very high97.9Very high0 Ų042.2 Ų42.20%023%0.229CC..Hα-helixtrans-62.7-43.9176.9-58.90000111.5V187 S188 A193 I194 L195 L251 I262V187-T191 WeakPolarHBondContact O-CB 3.34Å; V187-T191 PolarHBondContact O-N 3.38Å; V187-T191 PolarHBondContact O-OG1 2.91Å; S188-T191 PolarHBondContact O-N 2.99Å; T191-A193 VanDerWaalsContact C-N 3.28Å; T191-A193 PolarHBondContact O-N 2.6Å; T191-I194 PolarHBondContact O-N 3.36Å; T191-L195 HydrophobicContact CG2-CD1 4.14Å; T191-L195 HydrophobicContact CG2-CG 4.36Å; T191-L195 WeakPolarHBondContact O-CG 2.96Å; T191-L195 PolarHBondContact O-N 2.96Å; T191-L251 HydrophobicContact CG2-CD2 3.55Å; T191-I262 HydrophobicContact CG2-CD1 3.76Å; T191-I262 HydrophobicContact CG2-CG1 3.5Å
192D98.2Very high98.1Very high60 Ų6036.1 Ų36.132%0.32120%0.198SC..Hα-helixtrans-61.1-37.7174.9-78.5-7.9000111.8S188 L195 K196S188-D192 WeakPolarHBondContact O-CB 3Å; S188-D192 PolarHBondContact O-N 3.13Å; D192-L195 PolarHBondContact O-N 3.17Å; D192-K196 VanDerWaalsContact O-CB 3.29Å; D192-K196 WeakPolarHBondContact O-CB 3.35Å; D192-K196 WeakPolarHBondContact O-CG 3.37Å; D192-K196 PolarHBondContact O-N 3.36Å
193A98.3Very high98.1Very high4 Ų438 Ų383%0.03322%0.217CC..Hα-helixtrans-63.1-44.2174.500000111.8V153 S189 I190 T191 S197V153-A193 HydrophobicContact CG2-CB 4.18Å; S189-A193 PolarHBondContact O-N 3.28Å; S189-A193 VanDerWaalsContact O-N 3.12Å; I190-A193 WeakPolarHBondContact O-CB 3.3Å; I190-A193 PolarHBondContact O-N 3.17Å; T191-A193 VanDerWaalsContact C-N 3.28Å; T191-A193 PolarHBondContact O-N 2.6Å; A193-S197 VanDerWaalsContact O-CB 3.25Å; A193-S197 WeakPolarHBondContact O-CB 3.46Å; A193-S197 PolarHBondContact O-N 3.04Å
194I98.6Very high98.1Very high0 Ų037.6 Ų37.60%022%0.218CC..Hα-helixtrans-61.7-47.2175.1-66.5170.2000110.8R165 L169 I190 T191 S197 G198 F230 I247 L251R165-I194 HydrophobicContact CB-CD1 3.72Å; R165-I194 HydrophobicContact CB-CG1 3.55Å; R165-I194 HydrophobicContact CG-CG1 4.31Å; L169-I194 HydrophobicContact CD1-CD1 3.49Å; L169-I194 VanDerWaalsContact CD1-CD1 3.49Å; L169-I194 HydrophobicContact CG-CD1 4.43Å; I190-I194 HydrophobicContact CG2-CD1 4.37Å; I190-I194 WeakPolarHBondContact O-CG1 3Å; I190-I194 PolarHBondContact O-N 3.14Å; T191-I194 PolarHBondContact O-N 3.36Å; I194-S197 PolarHBondContact O-N 3.18Å; I194-G198 PolarHBondContact O-N 3.38Å; I194-F230 HydrophobicContact CG2-CE1 3.83Å; I194-F230 HydrophobicContact CG2-CZ 4Å; I194-I247 HydrophobicContact CG2-CG2 3.81Å; I194-L251 HydrophobicContact CG2-CD1 4.33Å
195L98.6Very high98Very high5 Ų534.2 Ų34.23%0.02620%0.201CC..Hα-helixtrans-64-44.7-179.1-67.9176.2000111.6T191 D192 G198 Q199 L228 L251 L270 I271T191-L195 HydrophobicContact CG2-CD1 4.14Å; T191-L195 HydrophobicContact CG2-CG 4.36Å; T191-L195 WeakPolarHBondContact O-CG 2.96Å; T191-L195 PolarHBondContact O-N 2.96Å; D192-L195 PolarHBondContact O-N 3.17Å; L195-G198 PolarHBondContact O-N 3.48Å; L195-Q199 WeakPolarHBondContact O-CG 3.42Å; L195-Q199 PolarHBondContact O-N 2.8Å; L195-L228 HydrophobicContact CD2-CD1 3.83Å; L195-L228 HydrophobicContact CD2-CD2 4.39Å; L195-L251 HydrophobicContact CD2-CD1 4.21Å; L195-L270 HydrophobicContact CD2-CD1 4.48Å; L195-I271 HydrophobicContact CD2-CD1 4.27Å; L195-I271 HydrophobicContact CD2-CG1 3.92Å
196K98.3Very high98Very high119 Ų11938.1 Ų38.152%0.51721%0.208SC..Hα-helixtrans-63.2-43.1176.5-74.5171.1-176.6170.50111.8V153 D192 Q199 K200V153-K196 HydrophobicContact CG2-CB 4.06Å; D192-K196 VanDerWaalsContact O-CB 3.29Å; D192-K196 WeakPolarHBondContact O-CB 3.35Å; D192-K196 WeakPolarHBondContact O-CG 3.37Å; D192-K196 PolarHBondContact O-N 3.36Å; K196-Q199 PolarHBondContact O-N 2.91Å; K196-K200 VanDerWaalsContact O-CB 3.31Å; K196-K200 WeakPolarHBondContact O-CB 3.37Å; K196-K200 PolarHBondContact O-N 3.39Å
197S98.1Very high97.9Very high16 Ų1641.8 Ų41.811%0.11223%0.234CC..Hα-helixtrans-57.1-50.7173.6-177.50000110.6D159 A193 I194 Q199 K200 T201D159-S197 WeakPolarHBondContact OD2-CB 3.47Å; D159-S197 PolarHBondContact OD2-OG 2.95Å; A193-S197 VanDerWaalsContact O-CB 3.25Å; A193-S197 WeakPolarHBondContact O-CB 3.46Å; A193-S197 PolarHBondContact O-N 3.04Å; I194-S197 PolarHBondContact O-N 3.18Å; S197-Q199 PolarHBondContact O-N 3.22Å; S197-K200 WeakPolarHBondContact O-CB 3.36Å; S197-K200 PolarHBondContact O-N 3.39Å; S197-K200 VanDerWaalsContact O-N 3.14Å; S197-T201 PolarHBondContact O-N 3.18Å; S197-T201 PolarHBondContact O-OG1 2.76Å
198G98.4Very high97.8Very high0 Ų045.3 Ų45.30%025%0.253CS..Hα-helixtrans-60.6-41179.500000113.8I194 L195 A202 M229I194-G198 PolarHBondContact O-N 3.38Å; L195-G198 PolarHBondContact O-N 3.48Å; G198-A202 WeakPolarHBondContact O-CB 3.48Å; G198-A202 PolarHBondContact O-N 3.31Å; G198-M229 VanDerWaalsContact CA-O 3.3Å; G198-M229 WeakPolarHBondContact CA-O 3.48Å; G198-M229 PolarHBondContact O-N 3.17Å
199Q98.4Very high97.6Very high88 Ų8846.5 Ų46.541%0.41126%0.262SS..Hα-helixtrans-68-39.3175.1-71.8-178.5-60.700112.3L195 K196 S197 A202 G203 L228 L270L195-Q199 WeakPolarHBondContact O-CG 3.42Å; L195-Q199 PolarHBondContact O-N 2.8Å; K196-Q199 PolarHBondContact O-N 2.91Å; S197-Q199 PolarHBondContact O-N 3.22Å; Q199-A202 PolarHBondContact O-N 3.36Å; Q199-G203 PolarHBondContact O-N 3.41Å; Q199-L228 HydrophobicContact CG-CD2 3.68Å; Q199-L270 HydrophobicContact CG-CD1 4.44Å; Q199-L270 HydrophobicContact CG-CD2 4.32Å
200K97.6Very high97.4Very high121 Ų12147.3 Ų47.353%0.52626%0.258SS..Hα-helixtrans-61.8-48.1177.3-177.9-175.3177.7-170.10110.6D154 K196 S197 G203 A204D154-K200 IonicContact OD1-NZ 2.74Å; D154-K200 PolarHBondContact OD1-NZ 2.81Å; K196-K200 VanDerWaalsContact O-CB 3.31Å; K196-K200 WeakPolarHBondContact O-CB 3.37Å; K196-K200 PolarHBondContact O-N 3.39Å; S197-K200 WeakPolarHBondContact O-CB 3.36Å; S197-K200 PolarHBondContact O-N 3.39Å; S197-K200 VanDerWaalsContact O-N 3.14Å; K200-G203 PolarHBondContact O-N 3.04Å; K200-A204 PolarHBondContact O-N 3.47Å
201T97.4Very high97.3Very high21 Ų2147.5 Ų47.513%0.12926%0.259CS..Hα-helixtrans-62.8-43.8176.5-56.40000111.2S197 G203 A204 Y205 M229 E231S197-T201 PolarHBondContact O-N 3.18Å; S197-T201 PolarHBondContact O-OG1 2.76Å; T201-G203 VanDerWaalsContact C-N 3.32Å; T201-G203 PolarHBondContact O-N 3.23Å; T201-A204 WeakPolarHBondContact O-CB 3.29Å; T201-A204 PolarHBondContact O-N 3.27Å; T201-Y205 HydrophobicContact CG2-CD1 3.96Å; T201-Y205 HydrophobicContact CG2-CE1 3.68Å; T201-Y205 WeakPolarHBondContact O-CB 3.48Å; T201-Y205 VanDerWaalsContact O-CD1 3.26Å; T201-Y205 WeakPolarHBondContact O-CD1 3.43Å; T201-Y205 PolarHBondContact O-N 3.4Å; T201-M229 VanDerWaalsContact CB-O 3.24Å; T201-M229 WeakPolarHBondContact CB-O 3.48Å; T201-M229 HydrophobicContact CG2-CB 3.82Å; T201-E231 HydrophobicContact CG2-CG 4.42Å
202A98Very high97Very high6 Ų652.4 Ų52.45%0.0529%0.286CS..Hα-helixtrans-60.3-42.3175.200000111.8G198 Q199 Y205 K206 M225 P227 M229G198-A202 WeakPolarHBondContact O-CB 3.48Å; G198-A202 PolarHBondContact O-N 3.31Å; Q199-A202 PolarHBondContact O-N 3.36Å; A202-Y205 PolarHBondContact O-N 3.25Å; A202-K206 WeakPolarHBondContact O-CB 3.31Å; A202-K206 PolarHBondContact O-N 2.9Å; A202-M225 HydrophobicContact CB-CE 4.14Å; A202-M225 WeakPolarHBondContact O-CE 3.45Å; A202-P227 WeakPolarHBondContact CB-O 3.47Å; A202-M229 HydrophobicContact CB-CB 4.06Å; A202-M229 HydrophobicContact CB-CG 3.81Å
203G97.8Very high96.8Very high40 Ų4056.4 Ų56.441%0.41230%0.296SS..Hα-helixtrans-60.1-45.7174.500000112.7Q199 K200 T201 K206 S207Q199-G203 PolarHBondContact O-N 3.41Å; K200-G203 PolarHBondContact O-N 3.04Å; T201-G203 VanDerWaalsContact C-N 3.32Å; T201-G203 PolarHBondContact O-N 3.23Å; G203-K206 PolarHBondContact O-N 2.62Å; G203-S207 WeakPolarHBondContact O-CB 3.35Å; G203-S207 PolarHBondContact O-N 3.3Å; G203-S207 PolarHBondContact O-OG 3.27Å
204A96.9Very high96.5Very high44 Ų4458.1 Ų58.136%0.36431%0.305SS..Hα-helixtrans-59.2-50.6175.500000111.3K200 T201 K206 S207 N208K200-A204 PolarHBondContact O-N 3.47Å; T201-A204 WeakPolarHBondContact O-CB 3.29Å; T201-A204 PolarHBondContact O-N 3.27Å; A204-K206 VanDerWaalsContact C-N 3.29Å; A204-K206 PolarHBondContact O-N 3.03Å; A204-S207 PolarHBondContact O-N 2.66Å; A204-S207 VanDerWaalsContact O-N 3.16Å; A204-S207 PolarHBondContact O-OG 2.88Å; A204-N208 PolarHBondContact O-N 2.84Å; A204-N208 VanDerWaalsContact O-N 3.12Å; A204-N208 PolarHBondContact O-ND2 3.46Å; A204-N208 PolarHBondContact O-OD1 3.26Å
205Y96.9Very high96.2Very high10 Ų1058.2 Ų58.24%0.03931%0.305CS..Hα-helixtrans-61.3-36.4-179.4-83.138.4000112.7T201 A202 N208 S209 F210 M229 E231 C236T201-Y205 HydrophobicContact CG2-CD1 3.96Å; T201-Y205 HydrophobicContact CG2-CE1 3.68Å; T201-Y205 WeakPolarHBondContact O-CB 3.48Å; T201-Y205 VanDerWaalsContact O-CD1 3.26Å; T201-Y205 WeakPolarHBondContact O-CD1 3.43Å; T201-Y205 PolarHBondContact O-N 3.4Å; A202-Y205 PolarHBondContact O-N 3.25Å; Y205-N208 VanDerWaalsContact CA-OD1 3.3Å; Y205-N208 WeakPolarHBondContact CA-OD1 3.49Å; Y205-N208 PolarHBondContact O-OD1 3.03Å; Y205-S209 CarbonylContact O-C 3.1Å; Y205-S209 WeakPolarHBondContact O-CA 3.22Å; Y205-S209 PolarHBondContact O-N 3.05Å; Y205-F210 HydrophobicContact CD1-CD1 4.28Å; Y205-F210 AromaticContact CD2-CD1 3.67Å; Y205-F210 HydrophobicContact CD2-CD1 3.67Å; Y205-F210 HydrophobicContact CD2-CE1 4.44Å; Y205-F210 HydrophobicContact CE1-CD1 4.05Å; Y205-F210 HydrophobicContact CE1-CE1 4.42Å; Y205-F210 AromaticContact CE2-CD1 3.41Å; Y205-F210 HydrophobicContact CE2-CD1 3.41Å; Y205-F210 VanDerWaalsContact CE2-CD1 3.41Å; Y205-F210 AromaticContact CE2-CE1 3.72Å; Y205-F210 HydrophobicContact CE2-CE1 3.72Å; Y205-F210 HydrophobicContact CG-CB 4.36Å; Y205-F210 HydrophobicContact CG-CD1 4.1Å; Y205-F210 AromaticContact CZ-CD1 3.61Å; Y205-F210 AromaticContact CZ-CE1 3.71Å; Y205-F210 PolarHBondContact O-N 3.22Å; Y205-M229 HydrophobicContact CD2-CE 3.78Å; Y205-M229 HydrophobicContact CD2-CG 4.35Å; Y205-M229 HydrophobicContact CE2-CE 3.78Å; Y205-E231 WeakPolarHBondContact CE1-OE2 3.4Å; Y205-E231 PolarHBondContact OH-OE2 3.11Å; Y205-C236 VanDerWaalsContact CE2-SG 3.58Å; Y205-C236 PolarHBondContact OH-SG 3.32Å
206K95.7Very high95.8Very high160 Ų16066.6 Ų66.670%0.69634%0.337SS*.Hα-helixtrans-68-47.8174.1-173.9175.5-180178.90111.5A202 G203 A204 N208 S209 M225A202-K206 WeakPolarHBondContact O-CB 3.31Å; A202-K206 PolarHBondContact O-N 2.9Å; G203-K206 PolarHBondContact O-N 2.62Å; A204-K206 VanDerWaalsContact C-N 3.29Å; A204-K206 PolarHBondContact O-N 3.03Å; K206-N208 VanDerWaalsContact C-N 3.27Å; K206-N208 PolarHBondContact O-N 2.87Å; K206-S209 PolarHBondContact O-N 3.32Å; K206-M225 HydrophobicContact CB-CE 3.84Å
207S96.9Very high95Very high101 Ų10168.3 Ų68.371%0.70635%0.348SS*.Hα-helixtrans-64.4-30.6-175.770.50000113.8G203 A204G203-S207 WeakPolarHBondContact O-CB 3.35Å; G203-S207 PolarHBondContact O-N 3.3Å; G203-S207 PolarHBondContact O-OG 3.27Å; A204-S207 PolarHBondContact O-N 2.66Å; A204-S207 VanDerWaalsContact O-N 3.16Å; A204-S207 PolarHBondContact O-OG 2.88Å
208N95.6Very high94.4Very high73 Ų7368.5 Ų68.539%0.3935%0.349SS..THydrogen-bonded Turntrans-105.58.2-178.867.513.4000112.9A204 Y205 K206 F210 R213A204-N208 PolarHBondContact O-N 2.84Å; A204-N208 VanDerWaalsContact O-N 3.12Å; A204-N208 PolarHBondContact O-ND2 3.46Å; A204-N208 PolarHBondContact O-OD1 3.26Å; Y205-N208 VanDerWaalsContact CA-OD1 3.3Å; Y205-N208 WeakPolarHBondContact CA-OD1 3.49Å; Y205-N208 PolarHBondContact O-OD1 3.03Å; K206-N208 VanDerWaalsContact C-N 3.27Å; K206-N208 PolarHBondContact O-N 2.87Å; N208-F210 PolarHBondContact O-N 3.17Å; N208-F210 VanDerWaalsContact O-N 3.12Å; N208-F210 WeakPolarHBondContact OD1-CB 3.24Å; N208-F210 PolarHBondContact OD1-N 3Å; N208-R213 VanDerWaalsContact O-CZ 3.23Å; N208-R213 PolarHBondContact O-NH1 2.92Å; N208-R213 PolarHBondContact O-NH2 3.44Å
209S94.6Very high93.8Very high56 Ų5672 Ų7239%0.39237%0.373SS..THydrogen-bonded Turntrans5031-175-580000114.2Y205 K206 R213Y205-S209 CarbonylContact O-C 3.1Å; Y205-S209 WeakPolarHBondContact O-CA 3.22Å; Y205-S209 PolarHBondContact O-N 3.05Å; K206-S209 PolarHBondContact O-N 3.32Å; S209-R213 PolarHBondContact O-N 3.37Å; S209-R213 PolarHBondContact O-NH1 3.19Å
210F94.8Very high93.3Very high69 Ų6971.2 Ų71.230%0.30337%0.369SS..Hα-helixtrans-69-37.3-178.9-174.4-96.2000111.8Y205 N208 D212 R213 L214Y205-F210 HydrophobicContact CD1-CD1 4.28Å; Y205-F210 AromaticContact CD2-CD1 3.67Å; Y205-F210 HydrophobicContact CD2-CD1 3.67Å; Y205-F210 HydrophobicContact CD2-CE1 4.44Å; Y205-F210 HydrophobicContact CE1-CD1 4.05Å; Y205-F210 HydrophobicContact CE1-CE1 4.42Å; Y205-F210 AromaticContact CE2-CD1 3.41Å; Y205-F210 HydrophobicContact CE2-CD1 3.41Å; Y205-F210 VanDerWaalsContact CE2-CD1 3.41Å; Y205-F210 AromaticContact CE2-CE1 3.72Å; Y205-F210 HydrophobicContact CE2-CE1 3.72Å; Y205-F210 HydrophobicContact CG-CB 4.36Å; Y205-F210 HydrophobicContact CG-CD1 4.1Å; Y205-F210 AromaticContact CZ-CD1 3.61Å; Y205-F210 AromaticContact CZ-CE1 3.71Å; Y205-F210 PolarHBondContact O-N 3.22Å; N208-F210 PolarHBondContact O-N 3.17Å; N208-F210 VanDerWaalsContact O-N 3.12Å; N208-F210 WeakPolarHBondContact OD1-CB 3.24Å; N208-F210 PolarHBondContact OD1-N 3Å; F210-D212 PolarHBondContact O-N 2.93Å; F210-R213 PolarHBondContact O-N 3.19Å; F210-L214 HydrophobicContact CE1-CD2 4.34Å; F210-L214 WeakPolarHBondContact O-CB 3.25Å; F210-L214 PolarHBondContact O-N 3.22Å
211Y95.5Very high92.9Very high5 Ų573.3 Ų73.32%0.0237%0.373CS..Hα-helixtrans-58.7-46175.5179.7-91.4000111.9R213 L214 M215 L223 M225 M229 W277 L292Y211-R213 VanDerWaalsContact C-N 3.3Å; Y211-R213 PolarHBondContact O-N 3.35Å; Y211-L214 PolarHBondContact O-N 3.45Å; Y211-M215 HydrophobicContact CD1-CG 4.12Å; Y211-M215 HydrophobicContact CD2-CG 4.3Å; Y211-M215 HydrophobicContact CE1-CG 3.69Å; Y211-M215 HydrophobicContact CE2-CG 3.91Å; Y211-M215 HydrophobicContact CE2-SD 4.47Å; Y211-M215 HydrophobicContact CG-CG 4.41Å; Y211-M215 WeakPolarHBondContact O-CB 3.37Å; Y211-M215 WeakPolarHBondContact O-CG 3.32Å; Y211-M215 PolarHBondContact O-N 2.87Å; Y211-L223 WeakPolarHBondContact CE1-O 3.14Å; Y211-L223 PolarHBondContact OH-O 2.83Å; Y211-M225 HydrophobicContact CD1-CB 3.71Å; Y211-M225 HydrophobicContact CD1-CG 4.13Å; Y211-M225 HydrophobicContact CD2-CB 3.99Å; Y211-M225 HydrophobicContact CD2-CG 3.56Å; Y211-M225 HydrophobicContact CD2-SD 4.29Å; Y211-M225 HydrophobicContact CE1-CB 3.83Å; Y211-M225 HydrophobicContact CE1-CG 4.47Å; Y211-M225 HydrophobicContact CE2-CB 4.09Å; Y211-M225 HydrophobicContact CE2-CG 3.94Å; Y211-M225 HydrophobicContact CG-CB 3.79Å; Y211-M225 HydrophobicContact CG-CG 3.65Å; Y211-M225 HydrophobicContact CG-SD 4.04Å; Y211-M229 HydrophobicContact CD2-CE 4.15Å; Y211-M229 HydrophobicContact CD2-SD 4.34Å; Y211-W277 HydrophobicContact CE2-CZ2 4.19Å; Y211-W277 AromaticContact CZ-NE1 4Å; Y211-W277 PolarHBondContact OH-NE1 2.88Å; Y211-W277 VanDerWaalsContact OH-NE1 3.07Å; Y211-L292 HydrophobicContact CD2-CD2 4.17Å; Y211-L292 HydrophobicContact CE2-CD2 3.94Å
212D93.2Very high92.7Very high103 Ų10378.9 Ų78.955%0.55140%0.402SS*.Hα-helixtrans-63.2-37.9179.2-57.5-35.2000111.6F210 Y216F210-D212 PolarHBondContact O-N 2.93Å; D212-Y216 PolarHBondContact O-N 2.92Å; D212-Y216 VanDerWaalsContact O-N 3.14Å
213R93.4Very high92.5Very high143 Ų14379.6 Ų79.654%0.5441%0.405SS..Hα-helixtrans-65.5-43.5173.8-73.3-167.8-64.4-79.51.3112.1N208 S209 F210 Y211 M215 Y216N208-R213 VanDerWaalsContact O-CZ 3.23Å; N208-R213 PolarHBondContact O-NH1 2.92Å; N208-R213 PolarHBondContact O-NH2 3.44Å; S209-R213 PolarHBondContact O-N 3.37Å; S209-R213 PolarHBondContact O-NH1 3.19Å; F210-R213 PolarHBondContact O-N 3.19Å; Y211-R213 VanDerWaalsContact C-N 3.3Å; Y211-R213 PolarHBondContact O-N 3.35Å; R213-M215 VanDerWaalsContact C-N 3.33Å; R213-Y216 WeakPolarHBondContact O-CB 3.45Å; R213-Y216 PolarHBondContact O-N 2.84Å
214L92.5Very high92.4Very high41 Ų4188.1 Ų88.122%0.21543%0.425CS..Hα-helixtrans-64.5-39.5-179.7-172.462.9000111.4F210 Y211 C236 L292 G293F210-L214 HydrophobicContact CE1-CD2 4.34Å; F210-L214 WeakPolarHBondContact O-CB 3.25Å; F210-L214 PolarHBondContact O-N 3.22Å; Y211-L214 PolarHBondContact O-N 3.45Å; L214-C236 HydrophobicContact CD2-CB 4.31Å; L214-L292 WeakPolarHBondContact CD1-O 3.33Å; L214-L292 HydrophobicContact CD2-CB 4.01Å; L214-L292 HydrophobicContact CD2-CD2 3.64Å; L214-L292 HydrophobicContact CD2-CG 3.82Å; L214-L292 HydrophobicContact CG-CG 4.32Å; L214-G293 WeakPolarHBondContact O-CA 3.47Å
215M92.3Very high92.4Very high1 Ų188.6 Ų88.61%0.00542%0.42CS..Hα-helixtrans-83-9.1-179-66.8-58.8-70.600114.1Y211 R213 Q217 S218 K220 R221 L223 L281 L292Y211-M215 HydrophobicContact CD1-CG 4.12Å; Y211-M215 HydrophobicContact CD2-CG 4.3Å; Y211-M215 HydrophobicContact CE1-CG 3.69Å; Y211-M215 HydrophobicContact CE2-CG 3.91Å; Y211-M215 HydrophobicContact CE2-SD 4.47Å; Y211-M215 HydrophobicContact CG-CG 4.41Å; Y211-M215 WeakPolarHBondContact O-CB 3.37Å; Y211-M215 WeakPolarHBondContact O-CG 3.32Å; Y211-M215 PolarHBondContact O-N 2.87Å; R213-M215 VanDerWaalsContact C-N 3.33Å; M215-Q217 VanDerWaalsContact C-N 3.26Å; M215-Q217 PolarHBondContact O-N 3.44Å; M215-Q217 VanDerWaalsContact O-N 3.15Å; M215-S218 VanDerWaalsContact O-CB 3.29Å; M215-S218 WeakPolarHBondContact O-CB 3.33Å; M215-S218 PolarHBondContact O-N 3.47Å; M215-K220 HydrophobicContact CE-CB 3.77Å; M215-K220 VanDerWaalsContact CE-O 3.24Å; M215-K220 WeakPolarHBondContact CE-O 3.27Å; M215-R221 WeakPolarHBondContact O-CA 3.48Å; M215-R221 WeakPolarHBondContact O-CB 3Å; M215-L223 HydrophobicContact CE-CB 4.44Å; M215-L281 HydrophobicContact CE-CD2 4.16Å; M215-L292 HydrophobicContact CE-CD1 4.29Å; M215-L292 HydrophobicContact SD-CD1 3.39Å; M215-L292 WeakPolarHBondContact SD-CD1 3.24Å; M215-L292 HydrophobicContact SD-CD2 4.29Å; M215-L292 HydrophobicContact SD-CG 3.73Å
216Y89Confident92.5Very high181 Ų18188.4 Ų88.471%0.7142%0.42SS*.THydrogen-bonded Turntrans-54.5-38.7-172.4-177.9-103.8000113.8D212 R213D212-Y216 PolarHBondContact O-N 2.92Å; D212-Y216 VanDerWaalsContact O-N 3.14Å; R213-Y216 WeakPolarHBondContact O-CB 3.45Å; R213-Y216 PolarHBondContact O-N 2.84Å
217Q82.5Confident92.6Very high156 Ų15682.8 Ų82.873%0.72940%0.4SS*.THydrogen-bonded Turntrans-93.5-4.8179.7-62.8-174.9-13.900113.6M215M215-Q217 VanDerWaalsContact C-N 3.26Å; M215-Q217 PolarHBondContact O-N 3.44Å; M215-Q217 VanDerWaalsContact O-N 3.15Å
218S85.8Confident92.7Very high20 Ų2078 Ų7814%0.1437%0.366CS..SBendtrans-75.8145.5179.9-177.40000111.1M215 K220 R221M215-S218 VanDerWaalsContact O-CB 3.29Å; M215-S218 WeakPolarHBondContact O-CB 3.33Å; M215-S218 PolarHBondContact O-N 3.47Å; S218-K220 PolarHBondContact O-N 3.11Å; S218-K220 PolarHBondContact OG-N 2.89Å; S218-K220 VanDerWaalsContact OG-N 3.1Å; S218-R221 PolarHBondContact O-N 3.47Å; S218-R221 VanDerWaalsContact O-N 3.16Å
219S84.1Confident92.9Very high74 Ų7474.5 Ų74.552%0.51735%0.348SS..THydrogen-bonded Turntrans-62.5-9.8166.857.20000113E296S219-E296 VanDerWaalsContact CB-OE1 3.22Å; S219-E296 WeakPolarHBondContact CB-OE1 3.39Å; S219-E296 PolarHBondContact OG-OE1 3.17Å
220K89.5Confident93Very high71 Ų7172.2 Ų72.231%0.30933%0.331SS..THydrogen-bonded Turntrans-108.727176.8-49.8-63.6-176.3163.90113M215 S218 D222 L223 Q280 L281 Q282M215-K220 HydrophobicContact CE-CB 3.77Å; M215-K220 VanDerWaalsContact CE-O 3.24Å; M215-K220 WeakPolarHBondContact CE-O 3.27Å; S218-K220 PolarHBondContact O-N 3.11Å; S218-K220 PolarHBondContact OG-N 2.89Å; S218-K220 VanDerWaalsContact OG-N 3.1Å; K220-D222 PolarHBondContact O-N 3.47Å; K220-L223 HydrophobicContact CB-CB 4.21Å; K220-L223 HydrophobicContact CB-CD2 4.44Å; K220-L223 WeakPolarHBondContact O-CB 3.47Å; K220-L223 PolarHBondContact O-N 3.26Å; K220-Q280 WeakPolarHBondContact CE-O 3.27Å; K220-Q280 PolarHBondContact NZ-O 3.38Å; K220-L281 HydrophobicContact CB-CD2 4.5Å; K220-Q282 PolarHBondContact NZ-O 2.96Å
221R89.3Confident93Very high165 Ų16573.3 Ų73.362%0.62334%0.337SS*.THydrogen-bonded Turntrans-51.5-28.9-174.770.2-175-179.3-157.7-2.4116M215 S218M215-R221 WeakPolarHBondContact O-CA 3.48Å; M215-R221 WeakPolarHBondContact O-CB 3Å; S218-R221 PolarHBondContact O-N 3.47Å; S218-R221 VanDerWaalsContact O-N 3.16Å
222D92.1Very high93Very high137 Ų13774.9 Ų74.973%0.73334%0.343SS*.THydrogen-bonded Turntrans-89.9-0.3-178.5-58-52.7000113.1K220 R224K220-D222 PolarHBondContact O-N 3.47Å; D222-R224 PolarHBondContact O-N 3.32Å
223L95Very high92.9Very high22 Ų2278.3 Ų78.312%0.11535%0.349CS..PPolyproline II helixtrans-69.2119.9179.3-178.761.3000110.1Y211 M215 K220 W277 Q280 L281Y211-L223 WeakPolarHBondContact CE1-O 3.14Å; Y211-L223 PolarHBondContact OH-O 2.83Å; M215-L223 HydrophobicContact CE-CB 4.44Å; K220-L223 HydrophobicContact CB-CB 4.21Å; K220-L223 HydrophobicContact CB-CD2 4.44Å; K220-L223 WeakPolarHBondContact O-CB 3.47Å; K220-L223 PolarHBondContact O-N 3.26Å; L223-W277 VanDerWaalsContact CD2-CD1 3.46Å; L223-W277 HydrophobicContact CD2-CG 4.39Å; L223-Q280 HydrophobicContact CD1-CB 3.85Å; L223-Q280 HydrophobicContact CD1-CG 4.38Å; L223-Q280 HydrophobicContact CD2-CB 4.14Å; L223-L281 HydrophobicContact CD2-CD2 3.55Å; L223-L281 HydrophobicContact CD2-CG 3.96Å
224R95.6Very high92.8Very high219 Ų21978.1 Ų78.183%0.82636%0.359SS*.PPolyproline II helixtrans-64.4140-178.9-65.4-176.6179.3-177.80.2111.6D222D222-R224 PolarHBondContact O-N 3.32Å
225M97Very high92.8Very high54 Ų5479.9 Ų79.927%0.26637%0.366SS..PPolyproline II helixtrans-58.2135.3177.1-167.6-175.772.600111.3A202 K206 Y211 M229A202-M225 HydrophobicContact CB-CE 4.14Å; A202-M225 WeakPolarHBondContact O-CE 3.45Å; K206-M225 HydrophobicContact CB-CE 3.84Å; Y211-M225 HydrophobicContact CD1-CB 3.71Å; Y211-M225 HydrophobicContact CD1-CG 4.13Å; Y211-M225 HydrophobicContact CD2-CB 3.99Å; Y211-M225 HydrophobicContact CD2-CG 3.56Å; Y211-M225 HydrophobicContact CD2-SD 4.29Å; Y211-M225 HydrophobicContact CE1-CB 3.83Å; Y211-M225 HydrophobicContact CE1-CG 4.47Å; Y211-M225 HydrophobicContact CE2-CB 4.09Å; Y211-M225 HydrophobicContact CE2-CG 3.94Å; Y211-M225 HydrophobicContact CG-CB 3.79Å; Y211-M225 HydrophobicContact CG-CG 3.65Å; Y211-M225 HydrophobicContact CG-SD 4.04Å; M225-M229 HydrophobicContact CG-CG 4.21Å; M225-M229 HydrophobicContact CG-SD 4.08Å; M225-M229 HydrophobicContact SD-CG 4.2Å
226P98.2Very high93Very high5 Ų580 Ų803%0.03237%0.367CS..PPolyproline II helixtrans-72166175.932.5-37.5000111.6L228 M229 T274 W277P226-L228 VanDerWaalsContact C-N 3.26Å; P226-L228 WeakPolarHBondContact CG-O 3.42Å; P226-L228 PolarHBondContact O-N 3.34Å; P226-M229 HydrophobicContact CG-SD 3.61Å; P226-T274 HydrophobicContact CB-CG2 3.93Å; P226-T274 HydrophobicContact CG-CG2 4.31Å; P226-W277 HydrophobicContact CB-CB 3.88Å; P226-W277 HydrophobicContact CB-CD2 3.99Å; P226-W277 HydrophobicContact CB-CE3 4.27Å; P226-W277 HydrophobicContact CB-CG 3.82Å; P226-W277 HydrophobicContact CG-CB 4.43Å; P226-W277 HydrophobicContact CG-CD2 3.55Å; P226-W277 HydrophobicContact CG-CE3 3.8Å; P226-W277 HydrophobicContact CG-CG 3.83Å; P226-W277 HydrophobicContact CG-CH2 4.45Å; P226-W277 HydrophobicContact CG-CZ2 4.22Å; P226-W277 HydrophobicContact CG-CZ3 4.26Å
227P98.5Very high93.4Very high43 Ų4373.6 Ų73.628%0.27934%0.342SS..SBendtrans-70.9-17.2178.129.1-36.9000114.3A202 Q269 L270 P273 T274A202-P227 WeakPolarHBondContact CB-O 3.47Å; P227-Q269 WeakPolarHBondContact CG-O 3.42Å; P227-L270 HydrophobicContact CB-CD2 4.01Å; P227-L270 WeakPolarHBondContact CG-O 3.46Å; P227-P273 HydrophobicContact CG-CB 4.02Å; P227-T274 WeakPolarHBondContact CD-OG1 3.26Å; P227-T274 WeakPolarHBondContact CG-OG1 3.35Å
228L98.7Very high94.1Very high0 Ų066.3 Ų66.30%031%0.308CS..  trans-121.5135.3176.9-58.3173.8000109.7L195 Q199 P226 F230 F244 L270 T274L195-L228 HydrophobicContact CD2-CD1 3.83Å; L195-L228 HydrophobicContact CD2-CD2 4.39Å; Q199-L228 HydrophobicContact CG-CD2 3.68Å; P226-L228 VanDerWaalsContact C-N 3.26Å; P226-L228 WeakPolarHBondContact CG-O 3.42Å; P226-L228 PolarHBondContact O-N 3.34Å; L228-F230 HydrophobicContact CB-CE2 3.89Å; L228-F230 HydrophobicContact CB-CZ 4.11Å; L228-F230 HydrophobicContact CD1-CE2 4.45Å; L228-F230 HydrophobicContact CD1-CZ 4.33Å; L228-F244 WeakPolarHBondContact O-CE1 3.37Å; L228-L270 HydrophobicContact CD1-CB 4.03Å; L228-L270 HydrophobicContact CD2-CB 4.2Å; L228-L270 HydrophobicContact CG-CB 4.1Å; L228-T274 HydrophobicContact CB-CG2 4.17Å
229M98.3Very high94.7Very high0 Ų065.4 Ų65.40%030%0.302CS..  trans-127.5140.4171.5-69.2-61.9-62.500109.9G198 T201 A202 Y205 Y211 M225 P226 F244 L292G198-M229 VanDerWaalsContact CA-O 3.3Å; G198-M229 WeakPolarHBondContact CA-O 3.48Å; G198-M229 PolarHBondContact O-N 3.17Å; T201-M229 VanDerWaalsContact CB-O 3.24Å; T201-M229 WeakPolarHBondContact CB-O 3.48Å; T201-M229 HydrophobicContact CG2-CB 3.82Å; A202-M229 HydrophobicContact CB-CB 4.06Å; A202-M229 HydrophobicContact CB-CG 3.81Å; Y205-M229 HydrophobicContact CD2-CE 3.78Å; Y205-M229 HydrophobicContact CD2-CG 4.35Å; Y205-M229 HydrophobicContact CE2-CE 3.78Å; Y211-M229 HydrophobicContact CD2-CE 4.15Å; Y211-M229 HydrophobicContact CD2-SD 4.34Å; M225-M229 HydrophobicContact CG-CG 4.21Å; M225-M229 HydrophobicContact CG-SD 4.08Å; M225-M229 HydrophobicContact SD-CG 4.2Å; P226-M229 HydrophobicContact CG-SD 3.61Å; M229-F244 HydrophobicContact CE-CZ 4.02Å; M229-F244 HydrophobicContact SD-CE1 4.49Å; M229-F244 HydrophobicContact SD-CZ 4Å; M229-L292 HydrophobicContact CE-CD2 3.82Å
230F97.8Very high95.3Very high8 Ų862 Ų624%0.03528%0.278CS..  trans-129.5146.7177.4-57.1-78000110D159 I194 L228 C236 F244 I247D159-F230 HydrophobicContact CB-CD1 3.97Å; D159-F230 HydrophobicContact CB-CE1 4.31Å; I194-F230 HydrophobicContact CG2-CE1 3.83Å; I194-F230 HydrophobicContact CG2-CZ 4Å; L228-F230 HydrophobicContact CB-CE2 3.89Å; L228-F230 HydrophobicContact CB-CZ 4.11Å; L228-F230 HydrophobicContact CD1-CE2 4.45Å; L228-F230 HydrophobicContact CD1-CZ 4.33Å; F230-C236 PolarHBondContact O-SG 3.4Å; F230-C236 VanDerWaalsContact O-SG 3.4Å; F230-F244 HydrophobicContact CB-CZ 4.36Å; F230-F244 AromaticContact CD2-CD1 3.71Å; F230-F244 HydrophobicContact CD2-CD1 3.71Å; F230-F244 AromaticContact CD2-CE1 3.62Å; F230-F244 HydrophobicContact CD2-CE1 3.62Å; F230-F244 HydrophobicContact CD2-CG 4.41Å; F230-F244 HydrophobicContact CD2-CZ 4.23Å; F230-F244 HydrophobicContact CE2-CD1 4.32Å; F230-F244 HydrophobicContact CE2-CE1 4.32Å; F230-F244 VanDerWaalsContact N-CZ 3.29Å; F230-I247 HydrophobicContact CB-CD1 3.76Å; F230-I247 HydrophobicContact CD1-CD1 3.77Å; F230-I247 HydrophobicContact CD2-CD1 3.78Å; F230-I247 HydrophobicContact CD2-CG2 4.42Å; F230-I247 HydrophobicContact CE1-CD1 4.31Å; F230-I247 HydrophobicContact CE1-CG2 4.29Å; F230-I247 HydrophobicContact CE2-CD1 4.33Å; F230-I247 HydrophobicContact CE2-CG2 3.92Å; F230-I247 HydrophobicContact CG-CD1 3.48Å; F230-I247 VanDerWaalsContact CG-CD1 3.48Å; F230-I247 HydrophobicContact CZ-CG2 3.85Å
231E95.4Very high95.7Very high92 Ų9258.7 Ų58.743%0.4326%0.264SS..  trans-139.5148.7177.864.3-176.9-160.800110.3T201 Y205 E235T201-E231 HydrophobicContact CG2-CG 4.42Å; Y205-E231 WeakPolarHBondContact CE1-OE2 3.4Å; Y205-E231 PolarHBondContact OH-OE2 3.11Å; E231-E235 WeakPolarHBondContact CA-O 3.41Å
232W95.6Very high96.1Very high38 Ų3852.1 Ų52.114%0.14424%0.24CC..BIsolated β-bridgetrans-145.1131.1172.1-177.975.4000108.4E160 Y163 N234 E235 Y237 H242E160-W232 HydrophobicContact CG-CB 3.95Å; E160-W232 HydrophobicContact CG-CD2 4.21Å; E160-W232 HydrophobicContact CG-CG 3.67Å; Y163-W232 AromaticContact CD2-CE2 3.78Å; Y163-W232 HydrophobicContact CD2-CH2 4.33Å; Y163-W232 AromaticContact CD2-CZ2 3.37Å; Y163-W232 HydrophobicContact CD2-CZ2 3.37Å; Y163-W232 AromaticContact CD2-NE1 3.88Å; Y163-W232 AromaticContact CE2-CH2 3.82Å; Y163-W232 HydrophobicContact CE2-CH2 3.82Å; Y163-W232 AromaticContact CE2-CZ2 3.23Å; Y163-W232 HydrophobicContact CE2-CZ2 3.23Å; Y163-W232 HydrophobicContact CG-CZ2 4.48Å; W232-N234 VanDerWaalsContact C-N 3.26Å; W232-N234 PolarHBondContact O-N 3.05Å; W232-E235 PolarHBondContact N-O 3.26Å; W232-E235 PolarHBondContact O-N 3.17Å; W232-Y237 HydrophobicContact CB-CD2 4.33Å; W232-Y237 AromaticContact CE3-CD2 3.95Å; W232-Y237 HydrophobicContact CE3-CD2 3.95Å; W232-Y237 AromaticContact CE3-CE2 3.5Å; W232-Y237 HydrophobicContact CE3-CE2 3.5Å; W232-Y237 HydrophobicContact CZ3-CE2 4.1Å; W232-Y237 WeakPolarHBondContact O-CE2 3.18Å; W232-H242 HydrophobicContact CD2-CB 4.36Å; W232-H242 AromaticContact CD2-ND1 3.88Å; W232-H242 HydrophobicContact CE3-CB 3.76Å; W232-H242 AromaticContact CE3-CG 3.5Å; W232-H242 VanDerWaalsContact CE3-CG 3.5Å; W232-H242 AromaticContact CE3-ND1 3.54Å; W232-H242 AromaticContact CH2-CE1 3.39Å; W232-H242 WeakPolarHBondContact CH2-CE1 3.49Å; W232-H242 AromaticContact CH2-ND1 3.7Å; W232-H242 AromaticContact CH2-NE2 3.81Å; W232-H242 AromaticContact CZ2-CE1 3.88Å; W232-H242 AromaticContact CZ2-ND1 3.97Å; W232-H242 HydrophobicContact CZ3-CB 4.27Å; W232-H242 AromaticContact CZ3-CD2 3.63Å; W232-H242 AromaticContact CZ3-CE1 3.49Å; W232-H242 VanDerWaalsContact CZ3-CE1 3.49Å; W232-H242 WeakPolarHBondContact CZ3-CE1 3.31Å; W232-H242 AromaticContact CZ3-CG 3.54Å; W232-H242 AromaticContact CZ3-ND1 3.48Å; W232-H242 WeakPolarHBondContact CZ3-ND1 3.33Å; W232-H242 AromaticContact CZ3-NE2 3.63Å
233Y91Very high96.3Very high174 Ų17445.6 Ų45.668%0.68221%0.206SC*.THydrogen-bonded Turntrans47.244.8-170.8-78.8-74.6000114.3E235Y233-E235 PolarHBondContact O-N 2.89Å
234N90Very high96.5Very high139 Ų13944.6 Ų44.674%0.74320%0.2SC*.THydrogen-bonded Turntrans65.115.1-179.7-49-49.2000115.4W232W232-N234 VanDerWaalsContact C-N 3.26Å; W232-N234 PolarHBondContact O-N 3.05Å
235E93.8Very high96.6Very high78 Ų7834.1 Ų34.136%0.36416%0.161SC..BIsolated β-bridgetrans-121140.1-179-69.2-65.2155.100111.2E231 W232 Y233 Y237E231-E235 WeakPolarHBondContact CA-O 3.41Å; W232-E235 PolarHBondContact N-O 3.26Å; W232-E235 PolarHBondContact O-N 3.17Å; Y233-E235 PolarHBondContact O-N 2.89Å; E235-Y237 HydrophobicContact CB-CD2 3.92Å; E235-Y237 HydrophobicContact CB-CE1 4.11Å; E235-Y237 HydrophobicContact CB-CE2 3.44Å; E235-Y237 VanDerWaalsContact CB-CE2 3.44Å; E235-Y237 HydrophobicContact CB-CG 4.45Å; E235-Y237 HydrophobicContact CG-CE2 4.26Å; E235-Y237 PolarHBondContact O-N 3.01Å
236C95.8Very high96.7Very high4 Ų431.6 Ų31.63%0.02715%0.148CC..  trans-90.772.9173.8-75.80000110.5Y205 L214 F230 F244 S291 L292Y205-C236 VanDerWaalsContact CE2-SG 3.58Å; Y205-C236 PolarHBondContact OH-SG 3.32Å; L214-C236 HydrophobicContact CD2-CB 4.31Å; F230-C236 PolarHBondContact O-SG 3.4Å; F230-C236 VanDerWaalsContact O-SG 3.4Å; C236-F244 HydrophobicContact CB-CE2 4.4Å; C236-S291 WeakPolarHBondContact O-CA 3.36Å; C236-L292 HydrophobicContact CB-CB 3.71Å; C236-L292 HydrophobicContact CB-CD2 4.33Å; C236-L292 PolarHBondContact O-N 3.23Å
237Y97.2Very high96.7Very high46 Ų4631.4 Ų31.418%0.1815%0.147CC..BIsolated β-bridgetrans-63.2138.6-179.5-68.8-66.8000112.7W232 E235 H242 G243 F244 S291 H306W232-Y237 HydrophobicContact CB-CD2 4.33Å; W232-Y237 AromaticContact CE3-CD2 3.95Å; W232-Y237 HydrophobicContact CE3-CD2 3.95Å; W232-Y237 AromaticContact CE3-CE2 3.5Å; W232-Y237 HydrophobicContact CE3-CE2 3.5Å; W232-Y237 HydrophobicContact CZ3-CE2 4.1Å; W232-Y237 WeakPolarHBondContact O-CE2 3.18Å; E235-Y237 HydrophobicContact CB-CD2 3.92Å; E235-Y237 HydrophobicContact CB-CE1 4.11Å; E235-Y237 HydrophobicContact CB-CE2 3.44Å; E235-Y237 VanDerWaalsContact CB-CE2 3.44Å; E235-Y237 HydrophobicContact CB-CG 4.45Å; E235-Y237 HydrophobicContact CG-CE2 4.26Å; E235-Y237 PolarHBondContact O-N 3.01Å; Y237-H242 HydrophobicContact CD2-CB 3.57Å; Y237-H242 HydrophobicContact CE2-CB 4.27Å; Y237-H242 HydrophobicContact CG-CB 3.81Å; Y237-G243 CarbonylContact O-C 3.46Å; Y237-G243 WeakPolarHBondContact O-CA 3.5Å; Y237-F244 VanDerWaalsContact O-CD2 3.25Å; Y237-F244 WeakPolarHBondContact O-CD2 3.5Å; Y237-F244 PolarHBondContact O-N 2.83Å; Y237-S291 WeakPolarHBondContact CD1-OG 3.5Å; Y237-S291 WeakPolarHBondContact CE1-OG 2.9Å; Y237-H306 AromaticContact CD1-CE1 3.41Å; Y237-H306 VanDerWaalsContact CD1-CE1 3.41Å; Y237-H306 WeakPolarHBondContact CD1-CE1 3.41Å; Y237-H306 AromaticContact CD1-ND1 3.78Å; Y237-H306 AromaticContact CE1-CE1 3.71Å
238L97.4Very high96.7Very high4 Ų429.3 Ų29.32%0.02113%0.133CC..  trans-94.3-29.3-179.5-60.7-176.3000113.4F244 A245 W277 M278 L281 P290 L292L238-F244 HydrophobicContact CD2-CD2 4.09Å; L238-A245 WeakPolarHBondContact O-CB 3.17Å; L238-A245 PolarHBondContact O-N 2.85Å; L238-W277 HydrophobicContact CD2-CH2 4.11Å; L238-W277 HydrophobicContact CD2-CZ3 4.47Å; L238-M278 HydrophobicContact CB-CE 4.18Å; L238-M278 HydrophobicContact CD2-SD 3.89Å; L238-M278 WeakPolarHBondContact O-CE 3.36Å; L238-L281 HydrophobicContact CD1-CD1 4.05Å; L238-L281 HydrophobicContact CD2-CD1 3.83Å; L238-P290 PolarHBondContact N-O 2.83Å; L238-L292 HydrophobicContact CD2-CB 4.21Å
239G97.4Very high96.7Very high1 Ų129.5 Ų29.51%0.0113%0.134CC..SBendtrans-75.1-175.7-171.600000115.9G243 C305G239-G243 CarbonylContact O-C 3.29Å; G239-G243 VanDerWaalsContact O-C 3.27Å; G239-G243 WeakPolarHBondContact O-CA 3.42Å; G239-G243 PolarHBondContact O-N 3.29Å; G239-C305 CarbonylContact C-O 3.5Å; G239-C305 WeakPolarHBondContact CA-O 3.37Å
240A98Very high96.7Very high3 Ų329.5 Ų29.53%0.02513%0.134CC..THydrogen-bonded Turntrans-79.5-25.4-169.100000114.7G246 W304 L426A240-G246 WeakPolarHBondContact O-CA 3.35Å; A240-W304 HydrophobicContact CB-CD2 4.21Å; A240-W304 HydrophobicContact CB-CG 4.33Å; A240-W304 HydrophobicContact CB-CZ2 4.28Å; A240-W304 VanDerWaalsContact CB-O 3.3Å; A240-W304 WeakPolarHBondContact CB-O 3.21Å; A240-W304 PolarHBondContact N-O 3.1Å; A240-L426 HydrophobicContact CB-CD2 4.2Å
241A97.5Very high96.8Very high0 Ų029.1 Ų29.10%013%0.133CC..THydrogen-bonded Turntrans-73.7-57.2-177.500000111.6A161 L162 W304 C305A161-A241 WeakPolarHBondContact CB-O 3.43Å; A161-A241 PolarHBondContact N-O 3.33Å; L162-A241 HydrophobicContact CD1-CB 3.92Å; L162-A241 HydrophobicContact CG-CB 3.97Å; L162-A241 PolarHBondContact N-O 3.04Å; A241-W304 HydrophobicContact CB-CE3 4.31Å; A241-W304 HydrophobicContact CB-CH2 4.25Å; A241-W304 HydrophobicContact CB-CZ3 3.77Å; A241-C305 HydrophobicContact CB-CB 3.54Å
242H97Very high96.9Very high27 Ų2724.7 Ų24.713%0.12511%0.112CC..THydrogen-bonded Turntrans-112.42.9-168.7-62.1-51.6000114.1E160 L162 Y163 W232 Y237E160-H242 VanDerWaalsContact CB-O 3.29Å; E160-H242 WeakPolarHBondContact CB-O 3.17Å; E160-H242 HydrophobicContact CG-CB 4.42Å; E160-H242 IonicContact OE2-CE1 2.8Å; E160-H242 IonicContact OE2-CG 3.22Å; E160-H242 IonicContact OE2-ND1 3.48Å; E160-H242 PolarHBondContact OE2-ND1 3.37Å; L162-H242 VanDerWaalsContact CD1-CE1 3.5Å; L162-H242 WeakPolarHBondContact CD1-CE1 3.3Å; Y163-H242 AromaticContact CE2-CE1 3.81Å; W232-H242 HydrophobicContact CD2-CB 4.36Å; W232-H242 AromaticContact CD2-ND1 3.88Å; W232-H242 HydrophobicContact CE3-CB 3.76Å; W232-H242 AromaticContact CE3-CG 3.5Å; W232-H242 VanDerWaalsContact CE3-CG 3.5Å; W232-H242 AromaticContact CE3-ND1 3.54Å; W232-H242 AromaticContact CH2-CE1 3.39Å; W232-H242 WeakPolarHBondContact CH2-CE1 3.49Å; W232-H242 AromaticContact CH2-ND1 3.7Å; W232-H242 AromaticContact CH2-NE2 3.81Å; W232-H242 AromaticContact CZ2-CE1 3.88Å; W232-H242 AromaticContact CZ2-ND1 3.97Å; W232-H242 HydrophobicContact CZ3-CB 4.27Å; W232-H242 AromaticContact CZ3-CD2 3.63Å; W232-H242 AromaticContact CZ3-CE1 3.49Å; W232-H242 VanDerWaalsContact CZ3-CE1 3.49Å; W232-H242 WeakPolarHBondContact CZ3-CE1 3.31Å; W232-H242 AromaticContact CZ3-CG 3.54Å; W232-H242 AromaticContact CZ3-ND1 3.48Å; W232-H242 WeakPolarHBondContact CZ3-ND1 3.33Å; W232-H242 AromaticContact CZ3-NE2 3.63Å; Y237-H242 HydrophobicContact CD2-CB 3.57Å; Y237-H242 HydrophobicContact CE2-CB 4.27Å; Y237-H242 HydrophobicContact CG-CB 3.81Å
243G97Very high97Very high1 Ų123 Ų231%0.0111%0.106CC..SBendtrans-135.5-172.7-156.600000116.6Y237 G239 A245 G246 I247Y237-G243 CarbonylContact O-C 3.46Å; Y237-G243 WeakPolarHBondContact O-CA 3.5Å; G239-G243 CarbonylContact O-C 3.29Å; G239-G243 VanDerWaalsContact O-C 3.27Å; G239-G243 WeakPolarHBondContact O-CA 3.42Å; G239-G243 PolarHBondContact O-N 3.29Å; G243-A245 VanDerWaalsContact C-N 3.32Å; G243-A245 PolarHBondContact O-N 2.9Å; G243-G246 PolarHBondContact O-N 3.37Å; G243-I247 WeakPolarHBondContact O-CG1 3.46Å; G243-I247 PolarHBondContact O-N 3.37Å
244F98.6Very high97.3Very high0 Ų014.7 Ų14.70%07%0.073CC..Hα-helixtrans-54.7-43-177.6-75.2-95000112.9L228 M229 F230 C236 Y237 L238 G246 I247 L248 T274 W277 M278L228-F244 WeakPolarHBondContact O-CE1 3.37Å; M229-F244 HydrophobicContact CE-CZ 4.02Å; M229-F244 HydrophobicContact SD-CE1 4.49Å; M229-F244 HydrophobicContact SD-CZ 4Å; F230-F244 HydrophobicContact CB-CZ 4.36Å; F230-F244 AromaticContact CD2-CD1 3.71Å; F230-F244 HydrophobicContact CD2-CD1 3.71Å; F230-F244 AromaticContact CD2-CE1 3.62Å; F230-F244 HydrophobicContact CD2-CE1 3.62Å; F230-F244 HydrophobicContact CD2-CG 4.41Å; F230-F244 HydrophobicContact CD2-CZ 4.23Å; F230-F244 HydrophobicContact CE2-CD1 4.32Å; F230-F244 HydrophobicContact CE2-CE1 4.32Å; F230-F244 VanDerWaalsContact N-CZ 3.29Å; C236-F244 HydrophobicContact CB-CE2 4.4Å; Y237-F244 VanDerWaalsContact O-CD2 3.25Å; Y237-F244 WeakPolarHBondContact O-CD2 3.5Å; Y237-F244 PolarHBondContact O-N 2.83Å; L238-F244 HydrophobicContact CD2-CD2 4.09Å; F244-G246 VanDerWaalsContact C-N 3.27Å; F244-G246 PolarHBondContact O-N 3.29Å; F244-I247 PolarHBondContact O-N 3.26Å; F244-L248 HydrophobicContact CB-CD1 4.15Å; F244-L248 HydrophobicContact CD1-CD1 4.43Å; F244-L248 VanDerWaalsContact O-CB 3.3Å; F244-L248 WeakPolarHBondContact O-CB 3.34Å; F244-L248 VanDerWaalsContact O-CG 3.24Å; F244-L248 WeakPolarHBondContact O-CG 3.35Å; F244-L248 PolarHBondContact O-N 3.36Å; F244-T274 HydrophobicContact CD1-CG2 3.97Å; F244-T274 HydrophobicContact CE1-CG2 4.1Å; F244-W277 HydrophobicContact CD1-CH2 4.48Å; F244-W277 AromaticContact CD1-CZ3 3.72Å; F244-W277 HydrophobicContact CD1-CZ3 3.72Å; F244-W277 HydrophobicContact CD2-CH2 4.3Å; F244-W277 HydrophobicContact CD2-CZ3 4.13Å; F244-W277 HydrophobicContact CE1-CH2 4.16Å; F244-W277 AromaticContact CE1-CZ3 3.71Å; F244-W277 HydrophobicContact CE1-CZ3 3.71Å; F244-W277 HydrophobicContact CE2-CH2 4.02Å; F244-W277 HydrophobicContact CE2-CZ3 4.17Å; F244-W277 AromaticContact CG-CZ3 3.93Å; F244-W277 HydrophobicContact CG-CZ3 3.93Å; F244-W277 AromaticContact CZ-CH2 3.92Å; F244-W277 HydrophobicContact CZ-CH2 3.92Å; F244-W277 AromaticContact CZ-CZ3 3.94Å; F244-W277 HydrophobicContact CZ-CZ3 3.94Å; F244-M278 HydrophobicContact CB-CE 3.99Å; F244-M278 HydrophobicContact CB-CG 4.1Å; F244-M278 HydrophobicContact CB-SD 3.5Å; F244-M278 WeakPolarHBondContact CB-SD 3.47Å; F244-M278 HydrophobicContact CG-SD 4.07Å
245A98.6Very high97.7Very high0 Ų011.8 Ų11.80%05%0.052CC..Hα-helixtrans-59.4-40.6-177.600000112.2L238 G243 T249 M278 V311 L314L238-A245 WeakPolarHBondContact O-CB 3.17Å; L238-A245 PolarHBondContact O-N 2.85Å; G243-A245 VanDerWaalsContact C-N 3.32Å; G243-A245 PolarHBondContact O-N 2.9Å; A245-T249 WeakPolarHBondContact O-CB 3.32Å; A245-T249 PolarHBondContact O-N 2.78Å; A245-T249 PolarHBondContact O-OG1 3.4Å; A245-M278 HydrophobicContact CB-CE 4.31Å; A245-V311 HydrophobicContact CB-CB 4.49Å; A245-V311 HydrophobicContact CB-CG2 4Å; A245-L314 HydrophobicContact CB-CD2 4.49Å
246G98.5Very high97.8Very high0 Ų014.5 Ų14.50%06%0.059CC..Hα-helixtrans-69.6-47.8179.700000111.8A240 G243 F244 T250A240-G246 WeakPolarHBondContact O-CA 3.35Å; G243-G246 PolarHBondContact O-N 3.37Å; F244-G246 VanDerWaalsContact C-N 3.27Å; F244-G246 PolarHBondContact O-N 3.29Å; G246-T250 PolarHBondContact O-N 3.23Å; G246-T250 VanDerWaalsContact O-N 3.09Å; G246-T250 PolarHBondContact O-OG1 3.41Å
247I98.8Very high97.8Very high1 Ų116.5 Ų16.51%0.0057%0.07CC..Hα-helixtrans-59-53.5179.1-62.4169.5000110.5D159 I194 F230 G243 F244 T249 T250 L251D159-I247 HydrophobicContact CB-CD1 4.02Å; I194-I247 HydrophobicContact CG2-CG2 3.81Å; F230-I247 HydrophobicContact CB-CD1 3.76Å; F230-I247 HydrophobicContact CD1-CD1 3.77Å; F230-I247 HydrophobicContact CD2-CD1 3.78Å; F230-I247 HydrophobicContact CD2-CG2 4.42Å; F230-I247 HydrophobicContact CE1-CD1 4.31Å; F230-I247 HydrophobicContact CE1-CG2 4.29Å; F230-I247 HydrophobicContact CE2-CD1 4.33Å; F230-I247 HydrophobicContact CE2-CG2 3.92Å; F230-I247 HydrophobicContact CG-CD1 3.48Å; F230-I247 VanDerWaalsContact CG-CD1 3.48Å; F230-I247 HydrophobicContact CZ-CG2 3.85Å; G243-I247 WeakPolarHBondContact O-CG1 3.46Å; G243-I247 PolarHBondContact O-N 3.37Å; F244-I247 PolarHBondContact O-N 3.26Å; I247-T249 PolarHBondContact O-N 3.14Å; I247-T250 PolarHBondContact O-N 3.13Å; I247-L251 HydrophobicContact CG2-CD1 3.97Å; I247-L251 HydrophobicContact CG2-CG 4.43Å; I247-L251 VanDerWaalsContact O-CG 3.31Å; I247-L251 WeakPolarHBondContact O-CG 3.34Å; I247-L251 PolarHBondContact O-N 3.13Å
248L98.8Very high97.8Very high0 Ų014.4 Ų14.40%06%0.061CC..Hα-helixtrans-67.3-39.6-175.7-64.1167.6000111.7F244 T250 L251 L252 I271 T274 V275 M278 L314F244-L248 HydrophobicContact CB-CD1 4.15Å; F244-L248 HydrophobicContact CD1-CD1 4.43Å; F244-L248 VanDerWaalsContact O-CB 3.3Å; F244-L248 WeakPolarHBondContact O-CB 3.34Å; F244-L248 VanDerWaalsContact O-CG 3.24Å; F244-L248 WeakPolarHBondContact O-CG 3.35Å; F244-L248 PolarHBondContact O-N 3.36Å; L248-T250 VanDerWaalsContact C-N 3.33Å; L248-T250 PolarHBondContact O-N 3.37Å; L248-L251 PolarHBondContact O-N 2.93Å; L248-L252 WeakPolarHBondContact O-CG 3.41Å; L248-L252 PolarHBondContact O-N 2.74Å; L248-I271 HydrophobicContact CD2-CG2 4.18Å; L248-T274 HydrophobicContact CD1-CG2 3.98Å; L248-T274 HydrophobicContact CD2-CG2 4.11Å; L248-V275 HydrophobicContact CB-CG2 4.1Å; L248-V275 HydrophobicContact CD1-CG2 4.05Å; L248-V275 HydrophobicContact CD2-CG2 4.16Å; L248-V275 HydrophobicContact CG-CG2 4.33Å; L248-M278 HydrophobicContact CD1-CG 3.78Å; L248-L314 HydrophobicContact CB-CD1 3.52Å; L248-L314 HydrophobicContact CB-CD2 4.05Å; L248-L314 HydrophobicContact CB-CG 4.44Å; L248-L314 HydrophobicContact CD1-CD2 3.94Å
249T98.6Very high97.7Very high3 Ų318.7 Ų18.72%0.0189%0.089CC..Hα-helixtrans-59.6-47176-59.30000110.2A245 I247 L251 L252 K253 P313 L314 L426A245-T249 WeakPolarHBondContact O-CB 3.32Å; A245-T249 PolarHBondContact O-N 2.78Å; A245-T249 PolarHBondContact O-OG1 3.4Å; I247-T249 PolarHBondContact O-N 3.14Å; T249-L251 PolarHBondContact O-N 3.06Å; T249-L252 PolarHBondContact O-N 3.22Å; T249-K253 WeakPolarHBondContact O-CG 3.28Å; T249-K253 PolarHBondContact O-N 3.29Å; T249-P313 HydrophobicContact CG2-CB 4.36Å; T249-L314 VanDerWaalsContact OG1-CA 3.31Å; T249-L314 WeakPolarHBondContact OG1-CA 3.48Å; T249-L314 WeakPolarHBondContact OG1-CB 3.42Å; T249-L314 PolarHBondContact OG1-N 3.47Å; T249-L426 HydrophobicContact CG2-CD1 4.11Å
250T98.6Very high97.7Very high0 Ų022 Ų220%012%0.123CC..Hα-helixtrans-62-42.6177.1-590000112.1T166 L169 N170 G246 I247 L248 L252 K253 V254 L426T166-T250 HydrophobicContact CG2-CG2 4.16Å; T166-T250 WeakPolarHBondContact CG2-OG1 3.5Å; L169-T250 HydrophobicContact CB-CG2 3.58Å; L169-T250 HydrophobicContact CD1-CG2 4.24Å; N170-T250 VanDerWaalsContact OD1-CG2 3.27Å; N170-T250 WeakPolarHBondContact OD1-CG2 3.43Å; N170-T250 PolarHBondContact OD1-OG1 3Å; G246-T250 PolarHBondContact O-N 3.23Å; G246-T250 VanDerWaalsContact O-N 3.09Å; G246-T250 PolarHBondContact O-OG1 3.41Å; I247-T250 PolarHBondContact O-N 3.13Å; L248-T250 VanDerWaalsContact C-N 3.33Å; L248-T250 PolarHBondContact O-N 3.37Å; T250-L252 VanDerWaalsContact C-N 3.35Å; T250-L252 PolarHBondContact O-N 3.06Å; T250-K253 WeakPolarHBondContact O-CB 3.45Å; T250-K253 PolarHBondContact O-N 2.96Å; T250-V254 HydrophobicContact CG2-CG2 4.37Å; T250-V254 WeakPolarHBondContact O-CB 3.41Å; T250-V254 WeakPolarHBondContact O-CG2 3.26Å; T250-V254 PolarHBondContact O-N 3.23Å; T250-L426 VanDerWaalsContact OG1-CD1 3.24Å; T250-L426 WeakPolarHBondContact OG1-CD1 3.46Å
251L98.7Very high97.6Very high0 Ų021.9 Ų21.90%012%0.122CC..Hα-helixtrans-62.2-40.7177.3-69.6175.9000112.1T191 I194 L195 I247 L248 T249 V254 Y255 I262 I271T191-L251 HydrophobicContact CG2-CD2 3.55Å; I194-L251 HydrophobicContact CG2-CD1 4.33Å; L195-L251 HydrophobicContact CD2-CD1 4.21Å; I247-L251 HydrophobicContact CG2-CD1 3.97Å; I247-L251 HydrophobicContact CG2-CG 4.43Å; I247-L251 VanDerWaalsContact O-CG 3.31Å; I247-L251 WeakPolarHBondContact O-CG 3.34Å; I247-L251 PolarHBondContact O-N 3.13Å; L248-L251 PolarHBondContact O-N 2.93Å; T249-L251 PolarHBondContact O-N 3.06Å; L251-V254 PolarHBondContact O-N 3.47Å; L251-Y255 PolarHBondContact O-N 3.43Å; L251-I262 HydrophobicContact CB-CD1 4.43Å; L251-I262 HydrophobicContact CD2-CD1 4.33Å; L251-I262 VanDerWaalsContact O-CD1 3.23Å; L251-I262 WeakPolarHBondContact O-CD1 3.44Å; L251-I271 HydrophobicContact CB-CD1 4.11Å; L251-I271 HydrophobicContact CB-CG2 4.46Å; L251-I271 HydrophobicContact CD1-CD1 4.32Å; L251-I271 HydrophobicContact CD1-CG1 4.18Å
252L98.4Very high97.7Very high0 Ų022.2 Ų22.20%012%0.124CC..Hα-helixtrans-65.6-39.1174.7-65.8-176.3000111.9L248 T249 T250 Y255 R256 L267 I271 L272 V275 L314 A318 I321L248-L252 WeakPolarHBondContact O-CG 3.41Å; L248-L252 PolarHBondContact O-N 2.74Å; T249-L252 PolarHBondContact O-N 3.22Å; T250-L252 VanDerWaalsContact C-N 3.35Å; T250-L252 PolarHBondContact O-N 3.06Å; L252-Y255 PolarHBondContact O-N 2.79Å; L252-R256 PolarHBondContact O-N 3.41Å; L252-L267 HydrophobicContact CD2-CD1 3.98Å; L252-I271 HydrophobicContact CD2-CG2 3.71Å; L252-I271 HydrophobicContact CG-CG2 4.43Å; L252-L272 HydrophobicContact CD2-CD2 4.1Å; L252-V275 HydrophobicContact CD1-CG2 4.44Å; L252-L314 HydrophobicContact CD1-CD1 3.89Å; L252-A318 HydrophobicContact CD1-CB 4.28Å; L252-I321 HydrophobicContact CB-CD1 3.68Å; L252-I321 HydrophobicContact CD1-CD1 4.28Å; L252-I321 HydrophobicContact CD2-CD1 3.61Å; L252-I321 HydrophobicContact CG-CD1 4.02Å
253K97Very high97.7Very high1 Ų123.7 Ų23.70%0.00414%0.137CC..Hα-helixtrans-62.1-44.9171.5-66.7-171.892.2169.50112.1V173 E177 T249 T250 Y255 R256 L257 S427 L429V173-K253 HydrophobicContact CG1-CB 4.46Å; V173-K253 HydrophobicContact CG1-CD 4.05Å; V173-K253 HydrophobicContact CG2-CB 4.47Å; E177-K253 IonicContact OE1-NZ 2.75Å; E177-K253 IonicContact OE2-NZ 2.74Å; E177-K253 PolarHBondContact OE2-NZ 3.15Å; T249-K253 WeakPolarHBondContact O-CG 3.28Å; T249-K253 PolarHBondContact O-N 3.29Å; T250-K253 WeakPolarHBondContact O-CB 3.45Å; T250-K253 PolarHBondContact O-N 2.96Å; K253-Y255 PolarHBondContact O-N 2.96Å; K253-R256 PolarHBondContact O-N 2.9Å; K253-L257 WeakPolarHBondContact O-CB 3.49Å; K253-L257 WeakPolarHBondContact O-CG 3.41Å; K253-L257 PolarHBondContact O-N 2.81Å; K253-S427 WeakPolarHBondContact CD-O 3.43Å; K253-S427 WeakPolarHBondContact CE-O 3.3Å; K253-S427 PolarHBondContact NZ-O 2.86Å; K253-S427 VanDerWaalsContact NZ-O 3.14Å; K253-S427 PolarHBondContact NZ-OG 3.41Å; K253-L429 HydrophobicContact CB-CD2 4.29Å; K253-L429 HydrophobicContact CG-CD2 4.01Å
254V98Very high97.7Very high0 Ų027.3 Ų27.30%016%0.162CC..Hα-helixtrans-60.7-46.1178.91640000110.6L169 V173 V187 T250 L251 R256 L257 F258 S261 I262L169-V254 HydrophobicContact CD1-CG2 4.36Å; V173-V254 HydrophobicContact CG2-CG2 3.89Å; V187-V254 HydrophobicContact CG1-CB 4.47Å; V187-V254 HydrophobicContact CG1-CG1 3.46Å; V187-V254 VanDerWaalsContact CG1-CG1 3.46Å; V187-V254 HydrophobicContact CG1-CG2 4.2Å; T250-V254 HydrophobicContact CG2-CG2 4.37Å; T250-V254 WeakPolarHBondContact O-CB 3.41Å; T250-V254 WeakPolarHBondContact O-CG2 3.26Å; T250-V254 PolarHBondContact O-N 3.23Å; L251-V254 PolarHBondContact O-N 3.47Å; V254-R256 VanDerWaalsContact C-N 3.25Å; V254-R256 PolarHBondContact O-N 3.41Å; V254-L257 PolarHBondContact O-N 2.68Å; V254-F258 HydrophobicContact CG1-CD2 4.4Å; V254-F258 HydrophobicContact CG2-CD2 4.49Å; V254-F258 WeakPolarHBondContact O-CB 3.37Å; V254-F258 PolarHBondContact O-N 3.42Å; V254-S261 VanDerWaalsContact CG1-OG 3.27Å; V254-S261 WeakPolarHBondContact CG1-OG 3.43Å; V254-I262 HydrophobicContact CB-CD1 4.16Å; V254-I262 HydrophobicContact CG1-CD1 3.79Å; V254-I262 HydrophobicContact CG1-CG1 4.14Å
255Y97.8Very high97.6Very high78 Ų7833.5 Ų33.531%0.30619%0.191SC..Hα-helixtrans-53.9-42.6175.7173.8-106.4000112L251 L252 K253 I262 L267 I321L251-Y255 PolarHBondContact O-N 3.43Å; L252-Y255 PolarHBondContact O-N 2.79Å; K253-Y255 PolarHBondContact O-N 2.96Å; Y255-I262 HydrophobicContact CD2-CB 4.14Å; Y255-I262 HydrophobicContact CD2-CG2 4.24Å; Y255-L267 HydrophobicContact CD1-CD1 4.44Å; Y255-L267 HydrophobicContact CD1-CD2 3.97Å; Y255-L267 HydrophobicContact CD2-CD2 4.05Å; Y255-L267 HydrophobicContact CE1-CD2 3.55Å; Y255-L267 HydrophobicContact CE2-CD2 3.64Å; Y255-L267 HydrophobicContact CG-CD1 4.33Å; Y255-L267 HydrophobicContact CG-CD2 4.21Å; Y255-I321 HydrophobicContact CD1-CD1 4.17Å
256R95.8Very high97.6Very high135 Ų13534.3 Ų34.351%0.50920%0.197SC..Hα-helixtrans-75.5-45.6180-170.5-174.9-179.4130.1-9.1113.4L252 K253 V254 L429L252-R256 PolarHBondContact O-N 3.41Å; K253-R256 PolarHBondContact O-N 2.9Å; V254-R256 VanDerWaalsContact C-N 3.25Å; V254-R256 PolarHBondContact O-N 3.41Å; R256-L429 HydrophobicContact CB-CD2 3.81Å; R256-L429 VanDerWaalsContact CD-CD2 3.49Å; R256-L429 HydrophobicContact CG-CD2 4.3Å
257L95.9Very high97.6Very high47 Ų4734.6 Ų34.625%0.24620%0.198CC..Hα-helixtrans-84.9-21.1-170.6-67.4175.8000113.7V173 R176 E177 K253 V254V173-L257 HydrophobicContact CG1-CD1 3.71Å; R176-L257 HydrophobicContact CG-CB 4.42Å; E177-L257 HydrophobicContact CG-CD1 3.89Å; K253-L257 WeakPolarHBondContact O-CB 3.49Å; K253-L257 WeakPolarHBondContact O-CG 3.41Å; K253-L257 PolarHBondContact O-N 2.81Å; V254-L257 PolarHBondContact O-N 2.68Å
258F97.7Very high97.6Very high2 Ų238.5 Ų38.51%0.00922%0.219CC..SBendtrans-126.773.1178.8-59.5-83.6000110.6V173 R176 I182 I184 V187 V254 G260 S261V173-F258 HydrophobicContact CG2-CE2 4.15Å; R176-F258 HydrophobicContact CB-CE1 4.05Å; R176-F258 HydrophobicContact CB-CE2 4.14Å; R176-F258 HydrophobicContact CB-CZ 3.46Å; R176-F258 VanDerWaalsContact CB-CZ 3.46Å; R176-F258 HydrophobicContact CG-CE1 3.84Å; R176-F258 HydrophobicContact CG-CE2 4.21Å; R176-F258 HydrophobicContact CG-CZ 3.63Å; I182-F258 HydrophobicContact CB-CE1 3.89Å; I182-F258 HydrophobicContact CB-CZ 4.24Å; I182-F258 HydrophobicContact CG2-CE1 4.04Å; I182-F258 HydrophobicContact CG2-CZ 4.23Å; I184-F258 HydrophobicContact CG1-CD1 4.42Å; V187-F258 HydrophobicContact CB-CG 4.42Å; V187-F258 HydrophobicContact CG1-CB 4.25Å; V187-F258 HydrophobicContact CG1-CD2 3.9Å; V187-F258 HydrophobicContact CG1-CE2 4.35Å; V187-F258 HydrophobicContact CG1-CG 4Å; V187-F258 HydrophobicContact CG2-CD1 3.95Å; V187-F258 HydrophobicContact CG2-CD2 4.31Å; V187-F258 HydrophobicContact CG2-CE1 3.81Å; V187-F258 HydrophobicContact CG2-CE2 4.18Å; V187-F258 HydrophobicContact CG2-CG 4.18Å; V187-F258 HydrophobicContact CG2-CZ 3.9Å; V254-F258 HydrophobicContact CG1-CD2 4.4Å; V254-F258 HydrophobicContact CG2-CD2 4.49Å; V254-F258 WeakPolarHBondContact O-CB 3.37Å; V254-F258 PolarHBondContact O-N 3.42Å; F258-G260 PolarHBondContact O-N 3.41Å; F258-S261 WeakPolarHBondContact CB-OG 3.36Å; F258-S261 VanDerWaalsContact O-CB 3.27Å; F258-S261 WeakPolarHBondContact O-CB 3.29Å; F258-S261 PolarHBondContact O-N 3.32Å; F258-S261 PolarHBondContact O-OG 3.18Å
259P95.7Very high97.6Very high94 Ų9443.8 Ų43.861%0.6124%0.244SC*.THydrogen-bonded Turntrans-51.1129.4177.3-26.334.8000111.6
260G96Very high97.6Very high69 Ų6944.5 Ų44.571%0.71125%0.247SC*.THydrogen-bonded Turntrans90-10.7-177.400000115.6F258 I262F258-G260 PolarHBondContact O-N 3.41Å; G260-I262 VanDerWaalsContact C-N 3.33Å
261S97.6Very high97.6Very high2 Ų244.5 Ų44.51%0.01425%0.247CC..SBendtrans-71.5-26.817562.90000113.8S188 V254 F258S188-S261 PolarHBondContact OG-O 3.09Å; V254-S261 VanDerWaalsContact CG1-OG 3.27Å; V254-S261 WeakPolarHBondContact CG1-OG 3.43Å; F258-S261 WeakPolarHBondContact CB-OG 3.36Å; F258-S261 VanDerWaalsContact O-CB 3.27Å; F258-S261 WeakPolarHBondContact O-CB 3.29Å; F258-S261 PolarHBondContact O-N 3.32Å; F258-S261 PolarHBondContact O-OG 3.18Å
262I98.3Very high97.6Very high6 Ų645.5 Ų45.53%0.03125%0.253CS..SBendtrans-126.2122.8176.6-65.5174.6000107.2T191 L251 V254 Y255 G260 L267 I271T191-I262 HydrophobicContact CG2-CD1 3.76Å; T191-I262 HydrophobicContact CG2-CG1 3.5Å; L251-I262 HydrophobicContact CB-CD1 4.43Å; L251-I262 HydrophobicContact CD2-CD1 4.33Å; L251-I262 VanDerWaalsContact O-CD1 3.23Å; L251-I262 WeakPolarHBondContact O-CD1 3.44Å; V254-I262 HydrophobicContact CB-CD1 4.16Å; V254-I262 HydrophobicContact CG1-CD1 3.79Å; V254-I262 HydrophobicContact CG1-CG1 4.14Å; Y255-I262 HydrophobicContact CD2-CB 4.14Å; Y255-I262 HydrophobicContact CD2-CG2 4.24Å; G260-I262 VanDerWaalsContact C-N 3.33Å; I262-L267 HydrophobicContact CG2-CB 4.3Å; I262-I271 HydrophobicContact CD1-CD1 4.01Å; I262-I271 HydrophobicContact CG2-CD1 3.77Å
263S97.3Very high97.6Very high59 Ų5947.7 Ų47.741%0.41327%0.267SS..  trans-68.4150.9177.379.60000111.5H265 S266 L267S263-H265 PolarHBondContact O-N 3.12Å; S263-H265 VanDerWaalsContact O-N 3.16Å; S263-H265 PolarHBondContact OG-N 2.88Å; S263-S266 PolarHBondContact O-N 2.94Å; S263-S266 VanDerWaalsContact O-N 3.08Å; S263-S266 PolarHBondContact OG-N 2.7Å; S263-S266 PolarHBondContact OG-OG 3.12Å; S263-L267 PolarHBondContact O-N 3.16Å
264S96.4Very high97.7Very high76 Ų7647.7 Ų47.753%0.53127%0.267SS..Hα-helixtrans-58.1-29173.1-50.90000112.3N268S264-N268 VanDerWaalsContact O-CB 3.28Å; S264-N268 WeakPolarHBondContact O-CB 3.46Å; S264-N268 VanDerWaalsContact O-CG 3.29Å; S264-N268 PolarHBondContact O-N 2.95Å; S264-N268 PolarHBondContact O-ND2 3.33Å
265H97.9Very high97.8Very high130 Ų13047.7 Ų47.760%0.60227%0.267SS*.Hα-helixtrans-65.7-51.5173.4-179.583.5000111.1S263 L267 N268 Q269S263-H265 PolarHBondContact O-N 3.12Å; S263-H265 VanDerWaalsContact O-N 3.16Å; S263-H265 PolarHBondContact OG-N 2.88Å; H265-L267 VanDerWaalsContact C-N 3.31Å; H265-L267 PolarHBondContact O-N 3.34Å; H265-N268 PolarHBondContact O-N 2.97Å; H265-Q269 VanDerWaalsContact O-CB 3.24Å; H265-Q269 WeakPolarHBondContact O-CB 3.3Å; H265-Q269 WeakPolarHBondContact O-CG 3.34Å; H265-Q269 PolarHBondContact O-N 3.4Å
266S98.4Very high97.8Very high18 Ų1845.9 Ų45.913%0.12626%0.263CS..Hα-helixtrans-59.8-40.9177.7-56.50000111.9S263 L270 I271S263-S266 PolarHBondContact O-N 2.94Å; S263-S266 VanDerWaalsContact O-N 3.08Å; S263-S266 PolarHBondContact OG-N 2.7Å; S263-S266 PolarHBondContact OG-OG 3.12Å; S266-L270 WeakPolarHBondContact O-CA 3.32Å; S266-L270 VanDerWaalsContact O-CB 3.25Å; S266-L270 WeakPolarHBondContact O-CB 3.48Å; S266-L270 PolarHBondContact O-N 3.03Å; S266-I271 PolarHBondContact O-N 2.93Å
267L98.5Very high97.9Very high5 Ų539.7 Ų39.73%0.02624%0.239CC..Iπ-helixtrans-60.9-54.8175.4179.969.3000111.6L252 Y255 I262 S263 H265 I271 L272L252-L267 HydrophobicContact CD2-CD1 3.98Å; Y255-L267 HydrophobicContact CD1-CD1 4.44Å; Y255-L267 HydrophobicContact CD1-CD2 3.97Å; Y255-L267 HydrophobicContact CD2-CD2 4.05Å; Y255-L267 HydrophobicContact CE1-CD2 3.55Å; Y255-L267 HydrophobicContact CE2-CD2 3.64Å; Y255-L267 HydrophobicContact CG-CD1 4.33Å; Y255-L267 HydrophobicContact CG-CD2 4.21Å; I262-L267 HydrophobicContact CG2-CB 4.3Å; S263-L267 PolarHBondContact O-N 3.16Å; H265-L267 VanDerWaalsContact C-N 3.31Å; H265-L267 PolarHBondContact O-N 3.34Å; L267-I271 HydrophobicContact CD1-CB 4.29Å; L267-I271 HydrophobicContact CD1-CD1 4.48Å; L267-I271 HydrophobicContact CD1-CG2 4.36Å; L267-I271 PolarHBondContact O-N 3.22Å; L267-L272 HydrophobicContact CD1-CD1 4.26Å; L267-L272 HydrophobicContact CD1-CD2 4.34Å; L267-L272 HydrophobicContact CD1-CG 3.89Å; L267-L272 HydrophobicContact CD2-CD1 4.35Å; L267-L272 HydrophobicContact CG-CD1 3.93Å; L267-L272 HydrophobicContact CG-CG 4.03Å; L267-L272 WeakPolarHBondContact O-CB 3.3Å; L267-L272 PolarHBondContact O-N 3.26Å
268N98.4Very high98Very high83 Ų8337.4 Ų37.444%0.44423%0.227SC..Iπ-helixtrans-80-23.8-169.9-68-35.9000113.9S264 H265 P273S264-N268 VanDerWaalsContact O-CB 3.28Å; S264-N268 WeakPolarHBondContact O-CB 3.46Å; S264-N268 VanDerWaalsContact O-CG 3.29Å; S264-N268 PolarHBondContact O-N 2.95Å; S264-N268 PolarHBondContact O-ND2 3.33Å; H265-N268 PolarHBondContact O-N 2.97Å; N268-P273 WeakPolarHBondContact O-CD 3.46Å; N268-P273 VanDerWaalsContact O-CG 3.26Å; N268-P273 WeakPolarHBondContact O-CG 3Å
269Q98.4Very high98.1Very high112 Ų11238 Ų3852%0.52323%0.231SC..Iπ-helixtrans-106-20.8-176.1-58.3-59.5-61.700113.4P227 H265P227-Q269 WeakPolarHBondContact CG-O 3.42Å; H265-Q269 VanDerWaalsContact O-CB 3.24Å; H265-Q269 WeakPolarHBondContact O-CB 3.3Å; H265-Q269 WeakPolarHBondContact O-CG 3.34Å; H265-Q269 PolarHBondContact O-N 3.4Å
270L98.8Very high98.1Very high17 Ų1737.8 Ų37.89%0.08922%0.223CC..Iπ-helixtrans-117.9-58.7-178-49.3177000111.7L195 Q199 P227 L228 S266 T274L195-L270 HydrophobicContact CD2-CD1 4.48Å; Q199-L270 HydrophobicContact CG-CD1 4.44Å; Q199-L270 HydrophobicContact CG-CD2 4.32Å; P227-L270 HydrophobicContact CB-CD2 4.01Å; P227-L270 WeakPolarHBondContact CG-O 3.46Å; L228-L270 HydrophobicContact CD1-CB 4.03Å; L228-L270 HydrophobicContact CD2-CB 4.2Å; L228-L270 HydrophobicContact CG-CB 4.1Å; S266-L270 WeakPolarHBondContact O-CA 3.32Å; S266-L270 VanDerWaalsContact O-CB 3.25Å; S266-L270 WeakPolarHBondContact O-CB 3.48Å; S266-L270 PolarHBondContact O-N 3.03Å; L270-T274 WeakPolarHBondContact O-CB 3.38Å; L270-T274 PolarHBondContact O-N 2.91Å; L270-T274 PolarHBondContact O-OG1 3Å
271I98.8Very high98.1Very high0 Ų035.1 Ų35.10%019%0.192CC..Iπ-helixtrans-71.9-61.5-170-60.6166.5000111L195 L248 L251 L252 I262 S266 L267 T274 V275L195-I271 HydrophobicContact CD2-CD1 4.27Å; L195-I271 HydrophobicContact CD2-CG1 3.92Å; L248-I271 HydrophobicContact CD2-CG2 4.18Å; L251-I271 HydrophobicContact CB-CD1 4.11Å; L251-I271 HydrophobicContact CB-CG2 4.46Å; L251-I271 HydrophobicContact CD1-CD1 4.32Å; L251-I271 HydrophobicContact CD1-CG1 4.18Å; L252-I271 HydrophobicContact CD2-CG2 3.71Å; L252-I271 HydrophobicContact CG-CG2 4.43Å; I262-I271 HydrophobicContact CD1-CD1 4.01Å; I262-I271 HydrophobicContact CG2-CD1 3.77Å; S266-I271 PolarHBondContact O-N 2.93Å; L267-I271 HydrophobicContact CD1-CB 4.29Å; L267-I271 HydrophobicContact CD1-CD1 4.48Å; L267-I271 HydrophobicContact CD1-CG2 4.36Å; L267-I271 PolarHBondContact O-N 3.22Å; I271-T274 WeakPolarHBondContact O-CA 3.42Å; I271-T274 WeakPolarHBondContact O-CB 3.38Å; I271-T274 PolarHBondContact O-N 2.93Å; I271-V275 HydrophobicContact CG2-CG2 4.32Å; I271-V275 WeakPolarHBondContact O-CG2 3.25Å; I271-V275 PolarHBondContact O-N 3.4Å
272L98.8Very high98.1Very high21 Ų2135.9 Ų35.911%0.1120%0.195CC..Hα-helixtrans-60.9-39.8-176.2-69178000113.4L252 L267 T274 V275 D276 T322L252-L272 HydrophobicContact CD2-CD2 4.1Å; L267-L272 HydrophobicContact CD1-CD1 4.26Å; L267-L272 HydrophobicContact CD1-CD2 4.34Å; L267-L272 HydrophobicContact CD1-CG 3.89Å; L267-L272 HydrophobicContact CD2-CD1 4.35Å; L267-L272 HydrophobicContact CG-CD1 3.93Å; L267-L272 HydrophobicContact CG-CG 4.03Å; L267-L272 WeakPolarHBondContact O-CB 3.3Å; L267-L272 PolarHBondContact O-N 3.26Å; L272-T274 VanDerWaalsContact C-N 3.28Å; L272-T274 PolarHBondContact O-N 2.86Å; L272-V275 WeakPolarHBondContact O-CB 3.5Å; L272-V275 PolarHBondContact O-N 2.92Å; L272-V275 VanDerWaalsContact O-N 3.15Å; L272-D276 WeakPolarHBondContact O-CB 3.3Å; L272-D276 PolarHBondContact O-N 3Å; L272-T322 HydrophobicContact CD1-CG2 3.94Å; L272-T322 HydrophobicContact CD2-CG2 3.86Å
273P98.8Very high97.9Very high47 Ų4736.4 Ų36.431%0.30520%0.198SC..Hα-helixtrans-62.1-33.3172.5-26.236.9000113.6P227 N268 W277P227-P273 HydrophobicContact CG-CB 4.02Å; N268-P273 WeakPolarHBondContact O-CD 3.46Å; N268-P273 VanDerWaalsContact O-CG 3.26Å; N268-P273 WeakPolarHBondContact O-CG 3Å; P273-W277 PolarHBondContact O-N 3.31Å
274T98.9Very high97.7Very high0 Ų039.6 Ų39.60%022%0.22CC..Hα-helixtrans-72.4-34.9174.1-51.60000111.3P226 P227 L228 F244 L248 L270 I271 L272 W277 M278P226-T274 HydrophobicContact CB-CG2 3.93Å; P226-T274 HydrophobicContact CG-CG2 4.31Å; P227-T274 WeakPolarHBondContact CD-OG1 3.26Å; P227-T274 WeakPolarHBondContact CG-OG1 3.35Å; L228-T274 HydrophobicContact CB-CG2 4.17Å; F244-T274 HydrophobicContact CD1-CG2 3.97Å; F244-T274 HydrophobicContact CE1-CG2 4.1Å; L248-T274 HydrophobicContact CD1-CG2 3.98Å; L248-T274 HydrophobicContact CD2-CG2 4.11Å; L270-T274 WeakPolarHBondContact O-CB 3.38Å; L270-T274 PolarHBondContact O-N 2.91Å; L270-T274 PolarHBondContact O-OG1 3Å; I271-T274 WeakPolarHBondContact O-CA 3.42Å; I271-T274 WeakPolarHBondContact O-CB 3.38Å; I271-T274 PolarHBondContact O-N 2.93Å; L272-T274 VanDerWaalsContact C-N 3.28Å; L272-T274 PolarHBondContact O-N 2.86Å; T274-W277 HydrophobicContact CG2-CE3 4.28Å; T274-W277 WeakPolarHBondContact O-CB 3.5Å; T274-W277 PolarHBondContact O-N 3.4Å; T274-M278 PolarHBondContact O-N 2.91Å
275V98.8Very high97.5Very high0 Ų038.3 Ų38.30%021%0.207CC..Hα-helixtrans-65.3-41.7172.11770000111.7L248 L252 I271 L272 W277 M278 S279 L314 A318 Y327L248-V275 HydrophobicContact CB-CG2 4.1Å; L248-V275 HydrophobicContact CD1-CG2 4.05Å; L248-V275 HydrophobicContact CD2-CG2 4.16Å; L248-V275 HydrophobicContact CG-CG2 4.33Å; L252-V275 HydrophobicContact CD1-CG2 4.44Å; I271-V275 HydrophobicContact CG2-CG2 4.32Å; I271-V275 WeakPolarHBondContact O-CG2 3.25Å; I271-V275 PolarHBondContact O-N 3.4Å; L272-V275 WeakPolarHBondContact O-CB 3.5Å; L272-V275 PolarHBondContact O-N 2.92Å; L272-V275 VanDerWaalsContact O-N 3.15Å; V275-W277 VanDerWaalsContact C-N 3.33Å; V275-M278 WeakPolarHBondContact O-CB 3.27Å; V275-M278 PolarHBondContact O-N 2.66Å; V275-S279 PolarHBondContact O-N 3.44Å; V275-L314 HydrophobicContact CG1-CD1 4.22Å; V275-L314 HydrophobicContact CG1-CG 4.28Å; V275-L314 HydrophobicContact CG2-CD1 3.96Å; V275-A318 HydrophobicContact CG1-CB 3.6Å; V275-Y327 HydrophobicContact CG1-CD1 4.39Å; V275-Y327 HydrophobicContact CG1-CE1 3.92Å
276D98.7Very high97.4Very high40 Ų4032.2 Ų32.221%0.21418%0.18CC..Hα-helixtrans-60.9-44.8175.4-172.782000110.9L272 M278 S279 Q280 K326L272-D276 WeakPolarHBondContact O-CB 3.3Å; L272-D276 PolarHBondContact O-N 3Å; D276-M278 PolarHBondContact O-N 2.98Å; D276-S279 WeakPolarHBondContact O-CB 3.34Å; D276-S279 PolarHBondContact O-N 2.88Å; D276-S279 VanDerWaalsContact O-N 3.09Å; D276-S279 PolarHBondContact O-OG 3.26Å; D276-Q280 WeakPolarHBondContact O-CG 3.37Å; D276-Q280 PolarHBondContact O-N 3.36Å; D276-Q280 VanDerWaalsContact O-N 3.17Å; D276-Q280 PolarHBondContact OD2-NE2 2.86Å; D276-K326 WeakPolarHBondContact OD1-CE 3.41Å; D276-K326 IonicContact OD1-NZ 3.5Å; D276-K326 PolarHBondContact OD1-NZ 3.04Å
277W98.4Very high97.3Very high5 Ų531.3 Ų31.32%0.01917%0.174CC..Hα-helixtrans-56.7-45.9171.8169.584.7000112.3Y211 L223 P226 L238 F244 P273 T274 V275 S279 Q280 L281 L292Y211-W277 HydrophobicContact CE2-CZ2 4.19Å; Y211-W277 AromaticContact CZ-NE1 4Å; Y211-W277 PolarHBondContact OH-NE1 2.88Å; Y211-W277 VanDerWaalsContact OH-NE1 3.07Å; L223-W277 VanDerWaalsContact CD2-CD1 3.46Å; L223-W277 HydrophobicContact CD2-CG 4.39Å; P226-W277 HydrophobicContact CB-CB 3.88Å; P226-W277 HydrophobicContact CB-CD2 3.99Å; P226-W277 HydrophobicContact CB-CE3 4.27Å; P226-W277 HydrophobicContact CB-CG 3.82Å; P226-W277 HydrophobicContact CG-CB 4.43Å; P226-W277 HydrophobicContact CG-CD2 3.55Å; P226-W277 HydrophobicContact CG-CE3 3.8Å; P226-W277 HydrophobicContact CG-CG 3.83Å; P226-W277 HydrophobicContact CG-CH2 4.45Å; P226-W277 HydrophobicContact CG-CZ2 4.22Å; P226-W277 HydrophobicContact CG-CZ3 4.26Å; L238-W277 HydrophobicContact CD2-CH2 4.11Å; L238-W277 HydrophobicContact CD2-CZ3 4.47Å; F244-W277 HydrophobicContact CD1-CH2 4.48Å; F244-W277 AromaticContact CD1-CZ3 3.72Å; F244-W277 HydrophobicContact CD1-CZ3 3.72Å; F244-W277 HydrophobicContact CD2-CH2 4.3Å; F244-W277 HydrophobicContact CD2-CZ3 4.13Å; F244-W277 HydrophobicContact CE1-CH2 4.16Å; F244-W277 AromaticContact CE1-CZ3 3.71Å; F244-W277 HydrophobicContact CE1-CZ3 3.71Å; F244-W277 HydrophobicContact CE2-CH2 4.02Å; F244-W277 HydrophobicContact CE2-CZ3 4.17Å; F244-W277 AromaticContact CG-CZ3 3.93Å; F244-W277 HydrophobicContact CG-CZ3 3.93Å; F244-W277 AromaticContact CZ-CH2 3.92Å; F244-W277 HydrophobicContact CZ-CH2 3.92Å; F244-W277 AromaticContact CZ-CZ3 3.94Å; F244-W277 HydrophobicContact CZ-CZ3 3.94Å; P273-W277 PolarHBondContact O-N 3.31Å; T274-W277 HydrophobicContact CG2-CE3 4.28Å; T274-W277 WeakPolarHBondContact O-CB 3.5Å; T274-W277 PolarHBondContact O-N 3.4Å; V275-W277 VanDerWaalsContact C-N 3.33Å; W277-S279 VanDerWaalsContact C-N 3.27Å; W277-S279 PolarHBondContact O-N 3.28Å; W277-Q280 PolarHBondContact O-N 3.18Å; W277-Q280 VanDerWaalsContact O-N 3.08Å; W277-L281 HydrophobicContact CD2-CD1 4.11Å; W277-L281 HydrophobicContact CE3-CD1 4.16Å; W277-L281 HydrophobicContact CH2-CD1 3.64Å; W277-L281 HydrophobicContact CZ2-CD1 3.59Å; W277-L281 HydrophobicContact CZ2-CG 4.45Å; W277-L281 HydrophobicContact CZ3-CD1 3.93Å; W277-L281 PolarHBondContact O-N 3.33Å; W277-L292 HydrophobicContact CH2-CD1 4.05Å; W277-L292 HydrophobicContact CH2-CD2 4Å; W277-L292 HydrophobicContact CZ2-CD1 3.56Å; W277-L292 HydrophobicContact CZ2-CD2 3.66Å; W277-L292 HydrophobicContact CZ2-CG 4.25Å
278M98.3Very high97.2Very high0 Ų031.1 Ų31.10%017%0.172CC..Hα-helixtrans-57.7-37.9174.6-80.7-66.6-68.400112.8L238 F244 A245 L248 T274 V275 D276 Q280 L281 W288 V311 L314 M315L238-M278 HydrophobicContact CB-CE 4.18Å; L238-M278 HydrophobicContact CD2-SD 3.89Å; L238-M278 WeakPolarHBondContact O-CE 3.36Å; F244-M278 HydrophobicContact CB-CE 3.99Å; F244-M278 HydrophobicContact CB-CG 4.1Å; F244-M278 HydrophobicContact CB-SD 3.5Å; F244-M278 WeakPolarHBondContact CB-SD 3.47Å; F244-M278 HydrophobicContact CG-SD 4.07Å; A245-M278 HydrophobicContact CB-CE 4.31Å; L248-M278 HydrophobicContact CD1-CG 3.78Å; T274-M278 PolarHBondContact O-N 2.91Å; V275-M278 WeakPolarHBondContact O-CB 3.27Å; V275-M278 PolarHBondContact O-N 2.66Å; D276-M278 PolarHBondContact O-N 2.98Å; M278-Q280 VanDerWaalsContact C-N 3.31Å; M278-Q280 PolarHBondContact O-N 3.26Å; M278-L281 PolarHBondContact O-N 3.25Å; M278-L281 HydrophobicContact SD-CD1 4.21Å; M278-W288 PolarHBondContact O-NE1 3.23Å; M278-V311 HydrophobicContact CE-CG1 4.43Å; M278-V311 HydrophobicContact CE-CG2 4.4Å; M278-L314 HydrophobicContact CB-CD2 4.17Å; M278-L314 HydrophobicContact CE-CD2 4.46Å; M278-L314 HydrophobicContact CG-CD2 4.22Å; M278-M315 HydrophobicContact CB-CE 4.03Å
279S98.2Very high97Very high13 Ų1327.6 Ų27.69%0.09115%0.154CC..Hα-helixtrans-66.6-33.2177.5800000112.4V275 D276 W277 L281 Q282V275-S279 PolarHBondContact O-N 3.44Å; D276-S279 WeakPolarHBondContact O-CB 3.34Å; D276-S279 PolarHBondContact O-N 2.88Å; D276-S279 VanDerWaalsContact O-N 3.09Å; D276-S279 PolarHBondContact O-OG 3.26Å; W277-S279 VanDerWaalsContact C-N 3.27Å; W277-S279 PolarHBondContact O-N 3.28Å; S279-L281 VanDerWaalsContact C-N 3.3Å; S279-L281 PolarHBondContact O-N 3.3Å; S279-Q282 PolarHBondContact O-N 2.89Å
280Q97.2Very high96.8Very high91 Ų9123 Ų2343%0.42513%0.134SC..Hα-helixtrans-76.3-18.5-179.5-66.2-17964.500113.1K220 L223 D276 W277 M278 Q282K220-Q280 WeakPolarHBondContact CE-O 3.27Å; K220-Q280 PolarHBondContact NZ-O 3.38Å; L223-Q280 HydrophobicContact CD1-CB 3.85Å; L223-Q280 HydrophobicContact CD1-CG 4.38Å; L223-Q280 HydrophobicContact CD2-CB 4.14Å; D276-Q280 WeakPolarHBondContact O-CG 3.37Å; D276-Q280 PolarHBondContact O-N 3.36Å; D276-Q280 VanDerWaalsContact O-N 3.17Å; D276-Q280 PolarHBondContact OD2-NE2 2.86Å; W277-Q280 PolarHBondContact O-N 3.18Å; W277-Q280 VanDerWaalsContact O-N 3.08Å; M278-Q280 VanDerWaalsContact C-N 3.31Å; M278-Q280 PolarHBondContact O-N 3.26Å; Q280-Q282 VanDerWaalsContact C-N 3.28Å; Q280-Q282 PolarHBondContact O-N 3.06Å
281L96Very high96.6Very high12 Ų1222.5 Ų22.56%0.06313%0.132CC..THydrogen-bonded Turntrans-76.3-9.2174.9-69.8176.7000114.2M215 K220 L223 L238 W277 M278 S279 L283 L292M215-L281 HydrophobicContact CE-CD2 4.16Å; K220-L281 HydrophobicContact CB-CD2 4.5Å; L223-L281 HydrophobicContact CD2-CD2 3.55Å; L223-L281 HydrophobicContact CD2-CG 3.96Å; L238-L281 HydrophobicContact CD1-CD1 4.05Å; L238-L281 HydrophobicContact CD2-CD1 3.83Å; W277-L281 HydrophobicContact CD2-CD1 4.11Å; W277-L281 HydrophobicContact CE3-CD1 4.16Å; W277-L281 HydrophobicContact CH2-CD1 3.64Å; W277-L281 HydrophobicContact CZ2-CD1 3.59Å; W277-L281 HydrophobicContact CZ2-CG 4.45Å; W277-L281 HydrophobicContact CZ3-CD1 3.93Å; W277-L281 PolarHBondContact O-N 3.33Å; M278-L281 PolarHBondContact O-N 3.25Å; M278-L281 HydrophobicContact SD-CD1 4.21Å; S279-L281 VanDerWaalsContact C-N 3.3Å; S279-L281 PolarHBondContact O-N 3.3Å; L281-L283 PolarHBondContact O-N 3.25Å; L281-L292 HydrophobicContact CD1-CD1 3.87Å; L281-L292 HydrophobicContact CD2-CD1 3.83Å
282Q96.4Very high96.4Very high19 Ų1922.7 Ų22.79%0.08913%0.133CC..  trans-57.6134.3-179.3-165.9175.730.500111.2K220 S279 Q280 G286 W288 C330K220-Q282 PolarHBondContact NZ-O 2.96Å; S279-Q282 PolarHBondContact O-N 2.89Å; Q280-Q282 VanDerWaalsContact C-N 3.28Å; Q280-Q282 PolarHBondContact O-N 3.06Å; Q282-G286 PolarHBondContact NE2-O 2.95Å; Q282-W288 HydrophobicContact CB-CD2 4.41Å; Q282-W288 HydrophobicContact CB-CH2 4.28Å; Q282-W288 HydrophobicContact CB-CZ2 3.63Å; Q282-W288 VanDerWaalsContact CD-CH2 3.43Å; Q282-W288 HydrophobicContact CG-CD2 4.2Å; Q282-W288 HydrophobicContact CG-CE3 4.27Å; Q282-W288 HydrophobicContact CG-CH2 3.73Å; Q282-W288 HydrophobicContact CG-CZ2 3.6Å; Q282-W288 HydrophobicContact CG-CZ3 4.06Å; Q282-C330 PolarHBondContact NE2-O 3.46Å; Q282-C330 PolarHBondContact OE1-SG 3.44Å
283L94.6Very high95.8Very high17 Ų1722.4 Ų22.49%0.08914%0.135CC..  trans-74.2160.4175.9-58.7179.3000110.4L281 N285 G286 N287 E296 D299L281-L283 PolarHBondContact O-N 3.25Å; L283-N285 PolarHBondContact O-N 3.49Å; L283-N285 VanDerWaalsContact O-N 3.11Å; L283-G286 PolarHBondContact O-N 3.09Å; L283-N287 WeakPolarHBondContact CB-O 3.4Å; L283-N287 PolarHBondContact N-O 3.32Å; L283-E296 HydrophobicContact CD2-CG 4.28Å; L283-D299 HydrophobicContact CD1-CB 3.66Å; L283-D299 VanDerWaalsContact CD1-CG 3.45Å; L283-D299 WeakPolarHBondContact CD1-OD2 3.43Å
284S92.9Very high95Very high125 Ų12522.2 Ų22.287%0.87413%0.132SC*.THydrogen-bonded Turntrans-61.4-22.2-17757.80000114.1
285N92.7Very high93.8Very high49 Ų4924 Ų2426%0.26214%0.144SC..THydrogen-bonded Turntrans-93.27.9176.470.6-0.7000114I4 L283 N287 D299 R341I4-N285 HydrophobicContact CD1-CB 4.38Å; L283-N285 PolarHBondContact O-N 3.49Å; L283-N285 VanDerWaalsContact O-N 3.11Å; N285-N287 WeakPolarHBondContact OD1-CB 3.31Å; N285-N287 PolarHBondContact OD1-N 3.01Å; N285-D299 PolarHBondContact ND2-OD2 2.7Å; N285-D299 PolarHBondContact OD1-OD2 2.88Å; N285-R341 PolarHBondContact ND2-NH1 3.15Å
286G96.3Very high92.7Very high2 Ų229.2 Ų29.22%0.02117%0.168CC..SBendtrans88.1-7178.900000115.3Q282 L283 W288 G334Q282-G286 PolarHBondContact NE2-O 2.95Å; L283-G286 PolarHBondContact O-N 3.09Å; G286-W288 WeakPolarHBondContact O-CZ3 3.45Å; G286-G334 WeakPolarHBondContact O-CA 3.23Å
287N96.7Very high91.7Very high0 Ų031.6 Ų31.60%019%0.189CC..  trans-83.3175.6177.2-15922000113L283 N285 D299 L301 G307 A308 A337L283-N287 WeakPolarHBondContact CB-O 3.4Å; L283-N287 PolarHBondContact N-O 3.32Å; N285-N287 WeakPolarHBondContact OD1-CB 3.31Å; N285-N287 PolarHBondContact OD1-N 3.01Å; N287-D299 WeakPolarHBondContact CB-OD1 3.5Å; N287-D299 PolarHBondContact ND2-OD1 3.14Å; N287-L301 PolarHBondContact ND2-O 3.36Å; N287-G307 WeakPolarHBondContact OD1-CA 3.19Å; N287-A308 WeakPolarHBondContact OD1-CB 3.35Å; N287-A308 PolarHBondContact OD1-N 3.19Å; N287-A337 HydrophobicContact CB-CB 4.45Å
288W96.1Very high90.9Very high0 Ų035.7 Ų35.70%021%0.208CC..  trans-125.9144.3167.5-75.4-102.3000109.4M278 Q282 G286 G307 A308 V311 M315 C330M278-W288 PolarHBondContact O-NE1 3.23Å; Q282-W288 HydrophobicContact CB-CD2 4.41Å; Q282-W288 HydrophobicContact CB-CH2 4.28Å; Q282-W288 HydrophobicContact CB-CZ2 3.63Å; Q282-W288 VanDerWaalsContact CD-CH2 3.43Å; Q282-W288 HydrophobicContact CG-CD2 4.2Å; Q282-W288 HydrophobicContact CG-CE3 4.27Å; Q282-W288 HydrophobicContact CG-CH2 3.73Å; Q282-W288 HydrophobicContact CG-CZ2 3.6Å; Q282-W288 HydrophobicContact CG-CZ3 4.06Å; G286-W288 WeakPolarHBondContact O-CZ3 3.45Å; W288-G307 WeakPolarHBondContact O-CA 3.47Å; W288-A308 HydrophobicContact CE3-CB 4.07Å; W288-A308 HydrophobicContact CZ3-CB 4.12Å; W288-V311 HydrophobicContact CB-CG2 4.18Å; W288-V311 HydrophobicContact CD2-CB 3.94Å; W288-V311 HydrophobicContact CD2-CG1 3.74Å; W288-V311 HydrophobicContact CD2-CG2 3.98Å; W288-V311 HydrophobicContact CE3-CB 3.86Å; W288-V311 HydrophobicContact CE3-CG1 4Å; W288-V311 HydrophobicContact CE3-CG2 4.2Å; W288-V311 HydrophobicContact CG-CB 4.46Å; W288-V311 HydrophobicContact CG-CG1 4.34Å; W288-V311 HydrophobicContact CG-CG2 3.98Å; W288-V311 HydrophobicContact CH2-CB 4.41Å; W288-V311 HydrophobicContact CH2-CG1 3.88Å; W288-V311 HydrophobicContact CZ2-CG1 3.63Å; W288-V311 HydrophobicContact CZ3-CB 4.1Å; W288-V311 HydrophobicContact CZ3-CG1 4.07Å; W288-M315 HydrophobicContact CH2-CG 4.32Å; W288-M315 HydrophobicContact CZ2-CG 4.35Å; W288-C330 HydrophobicContact CH2-CB 4.28Å; W288-C330 HydrophobicContact CZ2-CB 4.36Å
289S94.4Very high90.5Very high10 Ų1036.9 Ų36.97%0.0721%0.214CC..  trans-63.5157.1172.4-59.40000111.7
290P94.1Very high90.2Very high15 Ų1538.5 Ų38.510%0.09722%0.221CC..SBendtrans-59.3-44.7175.8-2535.8000113.5L238 D294 L301 H306L238-P290 PolarHBondContact N-O 2.83Å; P290-D294 WeakPolarHBondContact CD-OD2 3.24Å; P290-L301 HydrophobicContact CB-CD1 4.24Å; P290-L301 HydrophobicContact CG-CB 4.39Å; P290-L301 HydrophobicContact CG-CD1 3.75Å; P290-L301 HydrophobicContact CG-CG 4.09Å; P290-H306 HydrophobicContact CB-CB 4.02Å; P290-H306 HydrophobicContact CG-CB 4.44Å
291S94.4Very high90.1Very high6 Ų635.6 Ų35.64%0.04221%0.208CC..BIsolated β-bridgetrans-128.3159.2179.4-67.20000112C236 Y237 D294C236-S291 WeakPolarHBondContact O-CA 3.36Å; Y237-S291 WeakPolarHBondContact CD1-OG 3.5Å; Y237-S291 WeakPolarHBondContact CE1-OG 2.9Å; S291-D294 WeakPolarHBondContact CB-OD2 3.39Å; S291-D294 PolarHBondContact N-OD2 3.29Å; S291-D294 WeakPolarHBondContact O-CB 3.25Å
292L93.2Very high90.2Very high5 Ų535.1 Ų35.13%0.02621%0.206CC..THydrogen-bonded Turntrans-66.5136.8171.4-172.866.1000110.4Y211 L214 M215 M229 C236 L238 W277 L281 D294Y211-L292 HydrophobicContact CD2-CD2 4.17Å; Y211-L292 HydrophobicContact CE2-CD2 3.94Å; L214-L292 WeakPolarHBondContact CD1-O 3.33Å; L214-L292 HydrophobicContact CD2-CB 4.01Å; L214-L292 HydrophobicContact CD2-CD2 3.64Å; L214-L292 HydrophobicContact CD2-CG 3.82Å; L214-L292 HydrophobicContact CG-CG 4.32Å; M215-L292 HydrophobicContact CE-CD1 4.29Å; M215-L292 HydrophobicContact SD-CD1 3.39Å; M215-L292 WeakPolarHBondContact SD-CD1 3.24Å; M215-L292 HydrophobicContact SD-CD2 4.29Å; M215-L292 HydrophobicContact SD-CG 3.73Å; M229-L292 HydrophobicContact CE-CD2 3.82Å; C236-L292 HydrophobicContact CB-CB 3.71Å; C236-L292 HydrophobicContact CB-CD2 4.33Å; C236-L292 PolarHBondContact O-N 3.23Å; L238-L292 HydrophobicContact CD2-CB 4.21Å; W277-L292 HydrophobicContact CH2-CD1 4.05Å; W277-L292 HydrophobicContact CH2-CD2 4Å; W277-L292 HydrophobicContact CZ2-CD1 3.56Å; W277-L292 HydrophobicContact CZ2-CD2 3.66Å; W277-L292 HydrophobicContact CZ2-CG 4.25Å; L281-L292 HydrophobicContact CD1-CD1 3.87Å; L281-L292 HydrophobicContact CD2-CD1 3.83Å; L292-D294 VanDerWaalsContact C-N 3.27Å; L292-D294 PolarHBondContact O-N 3.46Å
293G86.3Confident90.3Very high15 Ų1534.6 Ų34.616%0.15520%0.203CC..THydrogen-bonded Turntrans85.6-10.9-179.500000114.8L214 S295L214-G293 WeakPolarHBondContact O-CA 3.47Å; G293-S295 PolarHBondContact O-N 2.98Å
294D82.6Confident90.4Very high43 Ų4334 Ų3423%0.2320%0.2CC..  trans-56.4136.8172.7-78-14.1000111.1P290 S291 L292 H298P290-D294 WeakPolarHBondContact CD-OD2 3.24Å; S291-D294 WeakPolarHBondContact CB-OD2 3.39Å; S291-D294 PolarHBondContact N-OD2 3.29Å; S291-D294 WeakPolarHBondContact O-CB 3.25Å; L292-D294 VanDerWaalsContact C-N 3.27Å; L292-D294 PolarHBondContact O-N 3.46Å; D294-H298 HydrophobicContact CB-CB 4.25Å
295S74.4Confident90.7Very high38 Ų3828.6 Ų28.627%0.26616%0.162SC..  trans-64.8152.8171.660.40000111.1G293 S297 H298G293-S295 PolarHBondContact O-N 2.98Å; S295-S297 PolarHBondContact O-N 2.85Å; S295-S297 PolarHBondContact OG-OG 3.46Å; S295-H298 WeakPolarHBondContact O-CB 3.3Å; S295-H298 PolarHBondContact O-N 3.45Å; S295-H298 PolarHBondContact OG-CE1 2.64Å; S295-H298 PolarHBondContact OG-ND1 2.95Å
296E75.4Confident90.8Very high108 Ų10827.5 Ų27.551%0.50516%0.155SC..G310 helixtrans-59.1-19.6176.8-64.2-174.9175.500112.8S219 L283 H298 D299S219-E296 VanDerWaalsContact CB-OE1 3.22Å; S219-E296 WeakPolarHBondContact CB-OE1 3.39Å; S219-E296 PolarHBondContact OG-OE1 3.17Å; L283-E296 HydrophobicContact CD2-CG 4.28Å; E296-H298 PolarHBondContact O-N 2.87Å; E296-D299 WeakPolarHBondContact O-CB 3.33Å; E296-D299 PolarHBondContact O-N 3.44Å
297S77.8Confident90.9Very high91 Ų9127.5 Ų27.564%0.63616%0.155SC*.G310 helixtrans-64.8-14.9171.864.90000114.1S295S295-S297 PolarHBondContact O-N 2.85Å; S295-S297 PolarHBondContact OG-OG 3.46Å
298H82Confident90.9Very high91 Ų9127.5 Ų27.542%0.42116%0.155SC..G310 helixtrans-93.78.1174.2-65.791.6000113D294 S295 E296 I300D294-H298 HydrophobicContact CB-CB 4.25Å; S295-H298 WeakPolarHBondContact O-CB 3.3Å; S295-H298 PolarHBondContact O-N 3.45Å; S295-H298 PolarHBondContact OG-CE1 2.64Å; S295-H298 PolarHBondContact OG-ND1 2.95Å; E296-H298 PolarHBondContact O-N 2.87Å; H298-I300 PolarHBondContact O-N 3.01Å
299D89.8Confident91Very high25 Ų2527.6 Ų27.613%0.13416%0.156CC..THydrogen-bonded Turntrans-71.970.3169.7-179.37.7000111.3L283 N285 N287 E296 R341L283-D299 HydrophobicContact CD1-CB 3.66Å; L283-D299 VanDerWaalsContact CD1-CG 3.45Å; L283-D299 WeakPolarHBondContact CD1-OD2 3.43Å; N285-D299 PolarHBondContact ND2-OD2 2.7Å; N285-D299 PolarHBondContact OD1-OD2 2.88Å; N287-D299 WeakPolarHBondContact CB-OD1 3.5Å; N287-D299 PolarHBondContact ND2-OD1 3.14Å; E296-D299 WeakPolarHBondContact O-CB 3.33Å; E296-D299 PolarHBondContact O-N 3.44Å; D299-R341 PolarHBondContact O-NH2 3.15Å; D299-R341 IonicContact OD1-CZ 3.9Å; D299-R341 IonicContact OD1-NH1 3.48Å; D299-R341 PolarHBondContact OD1-NH1 3.34Å; D299-R341 IonicContact OD1-NH2 3.26Å; D299-R341 PolarHBondContact OD1-NH2 2.79Å; D299-R341 IonicContact OD2-NH1 3.91Å
300I92.1Very high91.2Very high46 Ų4627.2 Ų27.224%0.23615%0.153CC..THydrogen-bonded Turntrans-126.9-11.5-175.966.1173.9000113D6 R8 H298D6-I300 HydrophobicContact CB-CB 4.28Å; D6-I300 HydrophobicContact CB-CG2 4.1Å; R8-I300 HydrophobicContact CG-CB 4.22Å; R8-I300 WeakPolarHBondContact CG-O 3.45Å; H298-I300 PolarHBondContact O-N 3.01Å
301L95Very high91.4Very high30 Ų3026.5 Ų26.516%0.15715%0.148CC..  trans-107.7120.2-176.6-52.3-173.7000110.1N287 P290 H306N287-L301 PolarHBondContact ND2-O 3.36Å; P290-L301 HydrophobicContact CB-CD1 4.24Å; P290-L301 HydrophobicContact CG-CB 4.39Å; P290-L301 HydrophobicContact CG-CD1 3.75Å; P290-L301 HydrophobicContact CG-CG 4.09Å; L301-H306 CarbonylContact C-O 3.45Å; L301-H306 HydrophobicContact CB-CB 4.07Å; L301-H306 WeakPolarHBondContact CB-O 3.17Å; L301-H306 HydrophobicContact CD1-CB 3.73Å
302V97.2Very high91.6Very high2 Ų226.2 Ų26.21%0.01215%0.146CC..  trans-120.264172-173.10000107.6T309 V338 R341V302-T309 PolarHBondContact O-OG1 3.11Å; V302-V338 HydrophobicContact CG1-CG2 3.9Å; V302-R341 HydrophobicContact CB-CB 4.29Å; V302-R341 HydrophobicContact CG2-CB 3.78Å
303H97.7Very high91.9Very high8 Ų826.4 Ų26.44%0.03715%0.148CC..SBendtrans-120161.1-171.1-56.9165.4000110.5C305 H306 T309 G310 L344 H352H303-C305 VanDerWaalsContact C-N 3.3Å; H303-H306 WeakPolarHBondContact CA-O 3.34Å; H303-H306 WeakPolarHBondContact CB-O 3.31Å; H303-H306 PolarHBondContact N-O 3.36Å; H303-H306 CarbonylContact O-C 3.58Å; H303-H306 VanDerWaalsContact O-C 3.29Å; H303-H306 PolarHBondContact O-N 3.08Å; H303-H306 VanDerWaalsContact O-O 3.08Å; H303-T309 VanDerWaalsContact C-CB 3.48Å; H303-G310 PolarHBondContact O-N 3.07Å; H303-L344 WeakPolarHBondContact CD2-CD1 3.4Å; H303-H352 HydrophobicContact CB-CB 3.82Å; H303-H352 VanDerWaalsContact CG-CB 3.49Å; H303-H352 WeakPolarHBondContact ND1-CB 3.49Å
304W98.2Very high92.5Very high5 Ų525.7 Ų25.72%0.01914%0.141CC..SBendtrans-62.8-41170.3168.786.9000110.7Y112 L162 A240 A241 H306 T309 G310 C351 M402 F423 L426Y112-W304 HydrophobicContact CE1-CH2 4.23Å; L162-W304 HydrophobicContact CD2-CH2 3.97Å; L162-W304 HydrophobicContact CD2-CZ3 4.29Å; A240-W304 HydrophobicContact CB-CD2 4.21Å; A240-W304 HydrophobicContact CB-CG 4.33Å; A240-W304 HydrophobicContact CB-CZ2 4.28Å; A240-W304 VanDerWaalsContact CB-O 3.3Å; A240-W304 WeakPolarHBondContact CB-O 3.21Å; A240-W304 PolarHBondContact N-O 3.1Å; A241-W304 HydrophobicContact CB-CE3 4.31Å; A241-W304 HydrophobicContact CB-CH2 4.25Å; A241-W304 HydrophobicContact CB-CZ3 3.77Å; W304-H306 PolarHBondContact O-N 3.16Å; W304-T309 HydrophobicContact CB-CG2 4.07Å; W304-G310 VanDerWaalsContact O-CA 3.31Å; W304-G310 WeakPolarHBondContact O-CA 3.45Å; W304-C351 WeakPolarHBondContact CB-O 3.46Å; W304-C351 HydrophobicContact CE3-CB 4.14Å; W304-C351 HydrophobicContact CZ3-CB 4.49Å; W304-C351 PolarHBondContact N-O 2.72Å; W304-M402 HydrophobicContact CD2-CE 4.33Å; W304-M402 HydrophobicContact CE3-CE 3.78Å; W304-M402 HydrophobicContact CH2-CE 3.67Å; W304-M402 HydrophobicContact CZ2-CE 4.22Å; W304-M402 HydrophobicContact CZ3-CE 3.42Å; W304-M402 VanDerWaalsContact CZ3-CE 3.42Å; W304-F423 HydrophobicContact CB-CE2 4.38Å; W304-F423 HydrophobicContact CB-CZ 4.41Å; W304-F423 AromaticContact CD1-CE2 3.91Å; W304-F423 AromaticContact CD1-CZ 3.7Å; W304-F423 HydrophobicContact CD2-CE1 4.16Å; W304-F423 AromaticContact CD2-CZ 3.76Å; W304-F423 HydrophobicContact CD2-CZ 3.76Å; W304-F423 AromaticContact CE2-CE1 3.65Å; W304-F423 AromaticContact CE2-CZ 3.75Å; W304-F423 HydrophobicContact CE3-CZ 4.46Å; W304-F423 HydrophobicContact CG-CE1 4.36Å; W304-F423 HydrophobicContact CG-CE2 4.04Å; W304-F423 AromaticContact CG-CZ 3.73Å; W304-F423 HydrophobicContact CG-CZ 3.73Å; W304-F423 AromaticContact CZ2-CE1 4Å; W304-F423 HydrophobicContact CZ2-CE1 4Å; W304-F423 HydrophobicContact CZ2-CZ 4.4Å; W304-F423 AromaticContact NE1-CE1 3.55Å; W304-F423 AromaticContact NE1-CZ 3.7Å; W304-L426 HydrophobicContact CZ2-CB 4.48Å; W304-L426 HydrophobicContact CZ2-CD2 3.98Å
305C97.5Very high93.3Very high11 Ų1123.7 Ų23.77%0.07413%0.13CC..SBendtrans-66-36.5177.651.50000114G239 A241 H303 C351G239-C305 CarbonylContact C-O 3.5Å; G239-C305 WeakPolarHBondContact CA-O 3.37Å; A241-C305 HydrophobicContact CB-CB 3.54Å; H303-C305 VanDerWaalsContact C-N 3.3Å; C305-C351 VanDerWaalsContact CB-SG 3.52Å; C305-C351 PolarHBondContact N-O 2.99Å; C305-C351 VanDerWaalsContact N-O 3.11Å; C305-C351 VanDerWaalsContact SG-SG 3.64Å
306H96.4Very high94.4Very high27 Ų2721.9 Ų21.913%0.12512%0.117CC..SBendtrans-148.3119.5-176.8-57.5-74.4000110.4Y237 P290 L301 H303 W304Y237-H306 AromaticContact CD1-CE1 3.41Å; Y237-H306 VanDerWaalsContact CD1-CE1 3.41Å; Y237-H306 WeakPolarHBondContact CD1-CE1 3.41Å; Y237-H306 AromaticContact CD1-ND1 3.78Å; Y237-H306 AromaticContact CE1-CE1 3.71Å; P290-H306 HydrophobicContact CB-CB 4.02Å; P290-H306 HydrophobicContact CG-CB 4.44Å; L301-H306 CarbonylContact C-O 3.45Å; L301-H306 HydrophobicContact CB-CB 4.07Å; L301-H306 WeakPolarHBondContact CB-O 3.17Å; L301-H306 HydrophobicContact CD1-CB 3.73Å; H303-H306 WeakPolarHBondContact CA-O 3.34Å; H303-H306 WeakPolarHBondContact CB-O 3.31Å; H303-H306 PolarHBondContact N-O 3.36Å; H303-H306 CarbonylContact O-C 3.58Å; H303-H306 VanDerWaalsContact O-C 3.29Å; H303-H306 PolarHBondContact O-N 3.08Å; H303-H306 VanDerWaalsContact O-O 3.08Å; W304-H306 PolarHBondContact O-N 3.16Å
307G97.1Very high95.5Very high1 Ų116.7 Ų16.71%0.019%0.093CC..SBendtrans110-169.7178.300000114.7N287 W288 T309 G310 V311N287-G307 WeakPolarHBondContact OD1-CA 3.19Å; W288-G307 WeakPolarHBondContact O-CA 3.47Å; G307-T309 VanDerWaalsContact C-N 3.3Å; G307-T309 PolarHBondContact O-N 3.2Å; G307-G310 PolarHBondContact O-N 3.19Å; G307-G310 VanDerWaalsContact O-N 3.08Å; G307-V311 WeakPolarHBondContact O-CG2 3.35Å; G307-V311 PolarHBondContact O-N 3.3Å
308A98.1Very high96.5Very high0 Ų012.4 Ų12.40%06%0.063CC..Hα-helixtrans-54.3-41-16900000113.7N287 W288 G310 V311 I312 A337 V338N287-A308 WeakPolarHBondContact OD1-CB 3.35Å; N287-A308 PolarHBondContact OD1-N 3.19Å; W288-A308 HydrophobicContact CE3-CB 4.07Å; W288-A308 HydrophobicContact CZ3-CB 4.12Å; A308-G310 PolarHBondContact O-N 2.81Å; A308-G310 VanDerWaalsContact O-N 3.16Å; A308-V311 PolarHBondContact O-N 2.79Å; A308-I312 HydrophobicContact CB-CD1 4.43Å; A308-I312 WeakPolarHBondContact O-CD1 3.1Å; A308-I312 VanDerWaalsContact O-CG1 3.23Å; A308-I312 WeakPolarHBondContact O-CG1 3.28Å; A308-I312 PolarHBondContact O-N 2.73Å; A308-A337 HydrophobicContact CB-CB 4.4Å; A308-V338 HydrophobicContact CB-CG2 4.09Å
309T98.4Very high97.3Very high3 Ų310.2 Ų10.22%0.0185%0.052CC..Hα-helixtrans-55.5-36.2-179.2-58.60000112.3V302 H303 W304 G307 V338 G356 A360V302-T309 PolarHBondContact O-OG1 3.11Å; H303-T309 VanDerWaalsContact C-CB 3.48Å; W304-T309 HydrophobicContact CB-CG2 4.07Å; G307-T309 VanDerWaalsContact C-N 3.3Å; G307-T309 PolarHBondContact O-N 3.2Å; T309-V338 WeakPolarHBondContact OG1-CG2 3.17Å; T309-G356 WeakPolarHBondContact CG2-O 3.38Å; T309-A360 HydrophobicContact CG2-CB 3.94Å
310G98.1Very high97.7Very high1 Ų112.3 Ų12.31%0.016%0.06CC..Hα-helixtrans-84.4-22.3176.200000114.9H303 W304 G307 A308H303-G310 PolarHBondContact O-N 3.07Å; W304-G310 VanDerWaalsContact O-CA 3.31Å; W304-G310 WeakPolarHBondContact O-CA 3.45Å; G307-G310 PolarHBondContact O-N 3.19Å; G307-G310 VanDerWaalsContact O-N 3.08Å; A308-G310 PolarHBondContact O-N 2.81Å; A308-G310 VanDerWaalsContact O-N 3.16Å
311V98.5Very high97.9Very high0 Ų012.4 Ų12.40%06%0.061CC..Hα-helixtrans-91.2-28.1-176.3-176.30000112.4A245 M278 W288 G307 A308 L314 M315A245-V311 HydrophobicContact CB-CB 4.49Å; A245-V311 HydrophobicContact CB-CG2 4Å; M278-V311 HydrophobicContact CE-CG1 4.43Å; M278-V311 HydrophobicContact CE-CG2 4.4Å; W288-V311 HydrophobicContact CB-CG2 4.18Å; W288-V311 HydrophobicContact CD2-CB 3.94Å; W288-V311 HydrophobicContact CD2-CG1 3.74Å; W288-V311 HydrophobicContact CD2-CG2 3.98Å; W288-V311 HydrophobicContact CE3-CB 3.86Å; W288-V311 HydrophobicContact CE3-CG1 4Å; W288-V311 HydrophobicContact CE3-CG2 4.2Å; W288-V311 HydrophobicContact CG-CB 4.46Å; W288-V311 HydrophobicContact CG-CG1 4.34Å; W288-V311 HydrophobicContact CG-CG2 3.98Å; W288-V311 HydrophobicContact CH2-CB 4.41Å; W288-V311 HydrophobicContact CH2-CG1 3.88Å; W288-V311 HydrophobicContact CZ2-CG1 3.63Å; W288-V311 HydrophobicContact CZ3-CB 4.1Å; W288-V311 HydrophobicContact CZ3-CG1 4.07Å; G307-V311 WeakPolarHBondContact O-CG2 3.35Å; G307-V311 PolarHBondContact O-N 3.3Å; A308-V311 PolarHBondContact O-N 2.79Å; V311-L314 VanDerWaalsContact O-CB 3.31Å; V311-L314 WeakPolarHBondContact O-CB 3.47Å; V311-L314 PolarHBondContact O-N 3.25Å; V311-M315 HydrophobicContact CG1-CE 3.83Å; V311-M315 HydrophobicContact CG1-CG 4.18Å; V311-M315 PolarHBondContact O-N 2.75Å; V311-M315 VanDerWaalsContact O-N 3.16Å
312I98.8Very high98Very high0 Ų013 Ų130%07%0.066CC..Hα-helixtrans-51.2-49.2177.3-74.5158.8000112.1A308 L314 M315 L316 A331 V338 A360 I364A308-I312 HydrophobicContact CB-CD1 4.43Å; A308-I312 WeakPolarHBondContact O-CD1 3.1Å; A308-I312 VanDerWaalsContact O-CG1 3.23Å; A308-I312 WeakPolarHBondContact O-CG1 3.28Å; A308-I312 PolarHBondContact O-N 2.73Å; I312-L314 VanDerWaalsContact C-N 3.26Å; I312-L314 PolarHBondContact O-N 3.49Å; I312-M315 PolarHBondContact O-N 2.82Å; I312-M315 VanDerWaalsContact O-N 3.12Å; I312-L316 HydrophobicContact CG2-CD1 3.69Å; I312-L316 HydrophobicContact CG2-CG 4.16Å; I312-L316 WeakPolarHBondContact O-CG 3.5Å; I312-L316 PolarHBondContact O-N 2.76Å; I312-A331 HydrophobicContact CG2-CB 4.5Å; I312-V338 HydrophobicContact CD1-CG2 3.69Å; I312-A360 HydrophobicContact CB-CB 4.49Å; I312-A360 HydrophobicContact CD1-CB 3.99Å; I312-A360 HydrophobicContact CG2-CB 4.49Å; I312-I364 HydrophobicContact CD1-CD1 4.34Å; I312-I364 HydrophobicContact CG2-CD1 4.02Å; I312-I364 HydrophobicContact CG2-CG1 3.72Å
313P98.5Very high98.1Very high10 Ų1015.4 Ų15.47%0.0659%0.091CC..Hα-helixtrans-58.4-34.1177.8-27.436.6000114.2T249 S317 E363T249-P313 HydrophobicContact CG2-CB 4.36Å; P313-S317 VanDerWaalsContact O-CB 3.22Å; P313-S317 WeakPolarHBondContact O-CB 3.48Å; P313-S317 PolarHBondContact O-N 2.91Å; P313-S317 PolarHBondContact O-OG 3.41Å; P313-E363 WeakPolarHBondContact CA-OE1 3.45Å; P313-E363 WeakPolarHBondContact CB-OE1 3.47Å
314L98.8Very high98.1Very high0 Ų018.9 Ų18.90%011%0.107CC..Hα-helixtrans-63.6-50.6175174.759.4000110.5A245 L248 T249 L252 V275 M278 V311 I312 L316 S317 A318A245-L314 HydrophobicContact CB-CD2 4.49Å; L248-L314 HydrophobicContact CB-CD1 3.52Å; L248-L314 HydrophobicContact CB-CD2 4.05Å; L248-L314 HydrophobicContact CB-CG 4.44Å; L248-L314 HydrophobicContact CD1-CD2 3.94Å; T249-L314 VanDerWaalsContact OG1-CA 3.31Å; T249-L314 WeakPolarHBondContact OG1-CA 3.48Å; T249-L314 WeakPolarHBondContact OG1-CB 3.42Å; T249-L314 PolarHBondContact OG1-N 3.47Å; L252-L314 HydrophobicContact CD1-CD1 3.89Å; V275-L314 HydrophobicContact CG1-CD1 4.22Å; V275-L314 HydrophobicContact CG1-CG 4.28Å; V275-L314 HydrophobicContact CG2-CD1 3.96Å; M278-L314 HydrophobicContact CB-CD2 4.17Å; M278-L314 HydrophobicContact CE-CD2 4.46Å; M278-L314 HydrophobicContact CG-CD2 4.22Å; V311-L314 VanDerWaalsContact O-CB 3.31Å; V311-L314 WeakPolarHBondContact O-CB 3.47Å; V311-L314 PolarHBondContact O-N 3.25Å; I312-L314 VanDerWaalsContact C-N 3.26Å; I312-L314 PolarHBondContact O-N 3.49Å; L314-L316 PolarHBondContact O-N 2.92Å; L314-S317 PolarHBondContact O-N 3.21Å; L314-A318 WeakPolarHBondContact O-CB 3.17Å; L314-A318 PolarHBondContact O-N 3.47Å
315M98.8Very high98.1Very high0 Ų024.2 Ų24.20%014%0.136CC..Hα-helixtrans-63.2-42.5-177.9-64.1-57.6125.600111.4M278 W288 V311 I312 A318 F319 Y327 C330 A331M278-M315 HydrophobicContact CB-CE 4.03Å; W288-M315 HydrophobicContact CH2-CG 4.32Å; W288-M315 HydrophobicContact CZ2-CG 4.35Å; V311-M315 HydrophobicContact CG1-CE 3.83Å; V311-M315 HydrophobicContact CG1-CG 4.18Å; V311-M315 PolarHBondContact O-N 2.75Å; V311-M315 VanDerWaalsContact O-N 3.16Å; I312-M315 PolarHBondContact O-N 2.82Å; I312-M315 VanDerWaalsContact O-N 3.12Å; M315-A318 PolarHBondContact O-N 3.04Å; M315-F319 PolarHBondContact O-N 2.91Å; M315-Y327 WeakPolarHBondContact CB-O 3.41Å; M315-Y327 WeakPolarHBondContact O-CB 3.47Å; M315-Y327 HydrophobicContact SD-CD1 4.15Å; M315-C330 HydrophobicContact CB-CB 4.48Å; M315-C330 HydrophobicContact CG-CB 3.94Å; M315-C330 HydrophobicContact SD-CB 3.97Å; M315-A331 HydrophobicContact CB-CB 3.88Å
316L98.7Very high98.2Very high0 Ų027.5 Ų27.50%015%0.149CC..Hα-helixtrans-64.8-39.7175.2-64.4174.9000112.1I312 L314 F319 K320 L328 A331 E363 I364 T367I312-L316 HydrophobicContact CG2-CD1 3.69Å; I312-L316 HydrophobicContact CG2-CG 4.16Å; I312-L316 WeakPolarHBondContact O-CG 3.5Å; I312-L316 PolarHBondContact O-N 2.76Å; L314-L316 PolarHBondContact O-N 2.92Å; L316-F319 PolarHBondContact O-N 2.79Å; L316-K320 WeakPolarHBondContact O-CG 3.41Å; L316-K320 PolarHBondContact O-N 2.8Å; L316-L328 HydrophobicContact CD2-CD1 4.23Å; L316-A331 HydrophobicContact CD2-CB 3.51Å; L316-A331 HydrophobicContact CG-CB 3.82Å; L316-E363 HydrophobicContact CD1-CB 3.98Å; L316-E363 HydrophobicContact CD1-CG 3.78Å; L316-I364 HydrophobicContact CD1-CG1 3.99Å; L316-I364 HydrophobicContact CD2-CG1 4.49Å; L316-T367 HydrophobicContact CD2-CG2 3.99Å
317S98.4Very high98.3Very high0 Ų026.4 Ų26.40%014%0.144CC..Hα-helixtrans-65-41.6175.9-62.80000111.9P313 L314 K320 I321 G428 L429P313-S317 VanDerWaalsContact O-CB 3.22Å; P313-S317 WeakPolarHBondContact O-CB 3.48Å; P313-S317 PolarHBondContact O-N 2.91Å; P313-S317 PolarHBondContact O-OG 3.41Å; L314-S317 PolarHBondContact O-N 3.21Å; S317-K320 PolarHBondContact O-N 3.29Å; S317-I321 PolarHBondContact O-N 3.22Å; S317-I321 VanDerWaalsContact O-N 3.12Å; S317-G428 VanDerWaalsContact OG-CA 3.28Å; S317-G428 WeakPolarHBondContact OG-CA 3.35Å; S317-L429 WeakPolarHBondContact O-CD1 3.48Å; S317-L429 PolarHBondContact OG-N 3.21Å; S317-L429 VanDerWaalsContact OG-N 3.14Å
318A98.6Very high98.3Very high0 Ų027.8 Ų27.80%015%0.15CC..Hα-helixtrans-62.9-43.7175.300000111.7L252 V275 L314 M315 I321 T322 Y327L252-A318 HydrophobicContact CD1-CB 4.28Å; V275-A318 HydrophobicContact CG1-CB 3.6Å; L314-A318 WeakPolarHBondContact O-CB 3.17Å; L314-A318 PolarHBondContact O-N 3.47Å; M315-A318 PolarHBondContact O-N 3.04Å; A318-I321 PolarHBondContact O-N 3.17Å; A318-T322 WeakPolarHBondContact O-CB 3.41Å; A318-T322 WeakPolarHBondContact O-CG2 3.41Å; A318-T322 PolarHBondContact O-N 3.42Å; A318-T322 PolarHBondContact O-OG1 2.94Å; A318-Y327 HydrophobicContact CB-CD1 3.9Å; A318-Y327 HydrophobicContact CB-CD2 3.8Å; A318-Y327 HydrophobicContact CB-CE1 4.22Å; A318-Y327 HydrophobicContact CB-CE2 4.13Å; A318-Y327 HydrophobicContact CB-CG 3.68Å
319F98.6Very high98.4Very high45 Ų4533.6 Ų33.620%0.19718%0.176CC..Hα-helixtrans-58.5-46.9173.3173.1-113.7000111.8M315 L316 I321 T322 G323 L328 T367M315-F319 PolarHBondContact O-N 2.91Å; L316-F319 PolarHBondContact O-N 2.79Å; F319-I321 PolarHBondContact O-N 2.99Å; F319-T322 PolarHBondContact O-N 2.77Å; F319-G323 WeakPolarHBondContact O-CA 3.43Å; F319-G323 PolarHBondContact O-N 3.22Å; F319-L328 HydrophobicContact CB-CB 4.43Å; F319-L328 HydrophobicContact CD1-CB 4.32Å; F319-L328 HydrophobicContact CD1-CD1 4.45Å; F319-L328 HydrophobicContact CD2-CB 3.78Å; F319-L328 HydrophobicContact CE1-CD2 4.15Å; F319-L328 HydrophobicContact CE2-CB 4.06Å; F319-L328 HydrophobicContact CE2-CD2 4.13Å; F319-L328 HydrophobicContact CG-CB 3.91Å; F319-L328 HydrophobicContact CZ-CB 4.45Å; F319-L328 HydrophobicContact CZ-CD2 3.87Å; F319-T367 HydrophobicContact CD1-CG2 3.88Å; F319-T367 HydrophobicContact CE1-CG2 4.11Å
320K97.9Very high98.4Very high70 Ų7034.1 Ų34.130%0.30418%0.179SC..Hα-helixtrans-62.6-27178.3-76.4170.2176.1169.50113.8L316 S317 T367 L429L316-K320 WeakPolarHBondContact O-CG 3.41Å; L316-K320 PolarHBondContact O-N 2.8Å; S317-K320 PolarHBondContact O-N 3.29Å; K320-T367 WeakPolarHBondContact CE-OG1 3.31Å; K320-T367 HydrophobicContact CG-CG2 4.42Å; K320-T367 PolarHBondContact NZ-OG1 3.48Å; K320-T367 VanDerWaalsContact NZ-OG1 3.16Å; K320-L429 HydrophobicContact CB-CB 4.48Å; K320-L429 HydrophobicContact CB-CD1 4.14Å; K320-L429 HydrophobicContact CD-CB 3.79Å; K320-L429 PolarHBondContact NZ-O 3.38Å
321I97Very high98.4Very high48 Ų4834 Ų3425%0.24618%0.179CC..Hα-helixtrans-86.4-42.4177.5-75.7170.7000112.1L252 Y255 S317 A318 F319 L429L252-I321 HydrophobicContact CB-CD1 3.68Å; L252-I321 HydrophobicContact CD1-CD1 4.28Å; L252-I321 HydrophobicContact CD2-CD1 3.61Å; L252-I321 HydrophobicContact CG-CD1 4.02Å; Y255-I321 HydrophobicContact CD1-CD1 4.17Å; S317-I321 PolarHBondContact O-N 3.22Å; S317-I321 VanDerWaalsContact O-N 3.12Å; A318-I321 PolarHBondContact O-N 3.17Å; F319-I321 PolarHBondContact O-N 2.99Å; I321-L429 HydrophobicContact CD1-CD1 3.64Å; I321-L429 HydrophobicContact CG1-CD1 3.58Å
322T97.6Very high98.4Very high42 Ų4236.4 Ų36.426%0.25819%0.191SC..Hα-helixtrans-100-25.2-168.461.50000113.8L272 A318 F319 E324 Y327L272-T322 HydrophobicContact CD1-CG2 3.94Å; L272-T322 HydrophobicContact CD2-CG2 3.86Å; A318-T322 WeakPolarHBondContact O-CB 3.41Å; A318-T322 WeakPolarHBondContact O-CG2 3.41Å; A318-T322 PolarHBondContact O-N 3.42Å; A318-T322 PolarHBondContact O-OG1 2.94Å; F319-T322 PolarHBondContact O-N 2.77Å; T322-E324 PolarHBondContact O-N 3.49Å; T322-E324 PolarHBondContact OG1-N 3.38Å; T322-Y327 HydrophobicContact CG2-CE2 4.04Å; T322-Y327 WeakPolarHBondContact OG1-CD2 3.26Å; T322-Y327 VanDerWaalsContact OG1-CE2 3.3Å; T322-Y327 WeakPolarHBondContact OG1-CE2 3.18Å
323G97.9Very high98.4Very high52 Ų5238.8 Ų38.854%0.53620%0.204SC..  trans714.8-168.900000114.3F319 N325F319-G323 WeakPolarHBondContact O-CA 3.43Å; F319-G323 PolarHBondContact O-N 3.22Å; G323-N325 PolarHBondContact O-N 3.07Å
324E98.4Very high98.4Very high81 Ų8138.3 Ų38.338%0.37920%0.201SC..  trans-79.1116.5-175.7-68-178-106.100111.9T322 K326 Y327T322-E324 PolarHBondContact O-N 3.49Å; T322-E324 PolarHBondContact OG1-N 3.38Å; E324-K326 HydrophobicContact CB-CG 4.24Å; E324-K326 PolarHBondContact O-N 3.49Å; E324-K326 IonicContact OE1-NZ 3.3Å; E324-K326 WeakPolarHBondContact OE2-CE 3.23Å; E324-K326 IonicContact OE2-NZ 2.79Å; E324-K326 PolarHBondContact OE2-NZ 3.18Å; E324-Y327 HydrophobicContact CB-CD2 3.84Å; E324-Y327 HydrophobicContact CB-CE2 3.86Å; E324-Y327 HydrophobicContact CG-CE2 4.44Å; E324-Y327 PolarHBondContact O-N 2.97Å
325N98.3Very high98.4Very high118 Ų11838.3 Ų38.363%0.63120%0.201SC*.Hα-helixtrans-59.1-20-177.6-78.5-32.6000114.9G323 Y327 L328 K329G323-N325 PolarHBondContact O-N 3.07Å; N325-Y327 VanDerWaalsContact C-N 3.28Å; N325-Y327 PolarHBondContact O-N 3.28Å; N325-L328 PolarHBondContact O-N 3.44Å; N325-K329 WeakPolarHBondContact O-CB 3.18Å; N325-K329 PolarHBondContact O-N 3.5Å
326K98.4Very high98.4Very high80 Ų8040.3 Ų40.335%0.34821%0.21SC..Hα-helixtrans-60.1-39177.471.9-168.5-172.6-166.10112D276 E324 K329 C330D276-K326 WeakPolarHBondContact OD1-CE 3.41Å; D276-K326 IonicContact OD1-NZ 3.5Å; D276-K326 PolarHBondContact OD1-NZ 3.04Å; E324-K326 HydrophobicContact CB-CG 4.24Å; E324-K326 PolarHBondContact O-N 3.49Å; E324-K326 IonicContact OE1-NZ 3.3Å; E324-K326 WeakPolarHBondContact OE2-CE 3.23Å; E324-K326 IonicContact OE2-NZ 2.79Å; E324-K326 PolarHBondContact OE2-NZ 3.18Å; K326-K329 PolarHBondContact O-N 3.36Å; K326-C330 PolarHBondContact O-N 2.91Å; K326-C330 PolarHBondContact O-SG 2.74Å
327Y98.7Very high98.3Very high4 Ų440.5 Ų40.52%0.01621%0.212CC..Hα-helixtrans-70.7-42.3178.1-57.4-59.3000111V275 M315 A318 T322 E324 N325 K329 C330 A331V275-Y327 HydrophobicContact CG1-CD1 4.39Å; V275-Y327 HydrophobicContact CG1-CE1 3.92Å; M315-Y327 WeakPolarHBondContact CB-O 3.41Å; M315-Y327 WeakPolarHBondContact O-CB 3.47Å; M315-Y327 HydrophobicContact SD-CD1 4.15Å; A318-Y327 HydrophobicContact CB-CD1 3.9Å; A318-Y327 HydrophobicContact CB-CD2 3.8Å; A318-Y327 HydrophobicContact CB-CE1 4.22Å; A318-Y327 HydrophobicContact CB-CE2 4.13Å; A318-Y327 HydrophobicContact CB-CG 3.68Å; T322-Y327 HydrophobicContact CG2-CE2 4.04Å; T322-Y327 WeakPolarHBondContact OG1-CD2 3.26Å; T322-Y327 VanDerWaalsContact OG1-CE2 3.3Å; T322-Y327 WeakPolarHBondContact OG1-CE2 3.18Å; E324-Y327 HydrophobicContact CB-CD2 3.84Å; E324-Y327 HydrophobicContact CB-CE2 3.86Å; E324-Y327 HydrophobicContact CG-CE2 4.44Å; E324-Y327 PolarHBondContact O-N 2.97Å; N325-Y327 VanDerWaalsContact C-N 3.28Å; N325-Y327 PolarHBondContact O-N 3.28Å; Y327-K329 VanDerWaalsContact C-N 3.31Å; Y327-K329 PolarHBondContact O-N 3.04Å; Y327-C330 PolarHBondContact O-N 3.49Å; Y327-A331 PolarHBondContact O-N 3.22Å
328L98.7Very high98.3Very high29 Ų2940.5 Ų40.515%0.15221%0.212CC..Hα-helixtrans-58.4-46173.8178.859000110.7L316 F319 N325 C330 A331 L332 T368L316-L328 HydrophobicContact CD2-CD1 4.23Å; F319-L328 HydrophobicContact CB-CB 4.43Å; F319-L328 HydrophobicContact CD1-CB 4.32Å; F319-L328 HydrophobicContact CD1-CD1 4.45Å; F319-L328 HydrophobicContact CD2-CB 3.78Å; F319-L328 HydrophobicContact CE1-CD2 4.15Å; F319-L328 HydrophobicContact CE2-CB 4.06Å; F319-L328 HydrophobicContact CE2-CD2 4.13Å; F319-L328 HydrophobicContact CG-CB 3.91Å; F319-L328 HydrophobicContact CZ-CB 4.45Å; F319-L328 HydrophobicContact CZ-CD2 3.87Å; N325-L328 PolarHBondContact O-N 3.44Å; L328-C330 PolarHBondContact O-N 3.26Å; L328-A331 WeakPolarHBondContact O-CB 3.35Å; L328-A331 PolarHBondContact O-N 2.99Å; L328-A331 VanDerWaalsContact O-N 3.13Å; L328-L332 HydrophobicContact CD1-CD1 4.4Å; L328-L332 HydrophobicContact CD1-CD2 4.34Å; L328-L332 HydrophobicContact CD1-CG 4.19Å; L328-L332 HydrophobicContact CG-CD1 4.14Å; L328-L332 HydrophobicContact CG-CG 4.37Å; L328-L332 VanDerWaalsContact O-CG 3.3Å; L328-L332 WeakPolarHBondContact O-CG 3.37Å; L328-L332 PolarHBondContact O-N 2.83Å; L328-T368 HydrophobicContact CD1-CG2 3.73Å
329K98.7Very high98.3Very high122 Ų12241.3 Ų41.353%0.5322%0.215SC..Hα-helixtrans-55.6-48.8175.7-174.7-173177.9-61.40111.7N325 K326 Y327 A331 L332 D333N325-K329 WeakPolarHBondContact O-CB 3.18Å; N325-K329 PolarHBondContact O-N 3.5Å; K326-K329 PolarHBondContact O-N 3.36Å; Y327-K329 VanDerWaalsContact C-N 3.31Å; Y327-K329 PolarHBondContact O-N 3.04Å; K329-A331 VanDerWaalsContact C-N 3.3Å; K329-A331 PolarHBondContact O-N 2.81Å; K329-L332 PolarHBondContact O-N 3.12Å; K329-D333 IonicContact NZ-OD1 2.79Å; K329-D333 IonicContact NZ-OD2 3.88Å; K329-D333 PolarHBondContact NZ-OD2 3.31Å; K329-D333 PolarHBondContact O-N 3.1Å
330C98.6Very high98.3Very high14 Ų1440.6 Ų40.610%0.09521%0.214CC..Hα-helixtrans-58-41.7176.7-72.50000112.4Q282 W288 M315 K326 Y327 L328 D333 G334Q282-C330 PolarHBondContact NE2-O 3.46Å; Q282-C330 PolarHBondContact OE1-SG 3.44Å; W288-C330 HydrophobicContact CH2-CB 4.28Å; W288-C330 HydrophobicContact CZ2-CB 4.36Å; M315-C330 HydrophobicContact CB-CB 4.48Å; M315-C330 HydrophobicContact CG-CB 3.94Å; M315-C330 HydrophobicContact SD-CB 3.97Å; K326-C330 PolarHBondContact O-N 2.91Å; K326-C330 PolarHBondContact O-SG 2.74Å; Y327-C330 PolarHBondContact O-N 3.49Å; L328-C330 PolarHBondContact O-N 3.26Å; C330-D333 PolarHBondContact O-N 3.09Å; C330-G334 PolarHBondContact O-N 3Å
331A98.8Very high98.2Very high0 Ų037.4 Ų37.40%020%0.2CC..Hα-helixtrans-63.5-42.3176.400000112.3I312 M315 L316 Y327 L328 K329 G334 G335 I364I312-A331 HydrophobicContact CG2-CB 4.5Å; M315-A331 HydrophobicContact CB-CB 3.88Å; L316-A331 HydrophobicContact CD2-CB 3.51Å; L316-A331 HydrophobicContact CG-CB 3.82Å; Y327-A331 PolarHBondContact O-N 3.22Å; L328-A331 WeakPolarHBondContact O-CB 3.35Å; L328-A331 PolarHBondContact O-N 2.99Å; L328-A331 VanDerWaalsContact O-N 3.13Å; K329-A331 VanDerWaalsContact C-N 3.3Å; K329-A331 PolarHBondContact O-N 2.81Å; A331-G334 PolarHBondContact O-N 2.79Å; A331-G335 PolarHBondContact O-N 2.98Å; A331-I364 WeakPolarHBondContact O-CD1 3.37Å
332L98.8Very high98.3Very high49 Ų4935.1 Ų35.126%0.25719%0.189SC..Hα-helixtrans-65.7-44.3177.6-61.6174.6000111.5L328 K329 G334 G335 E336 I364 T368 Y373L328-L332 HydrophobicContact CD1-CD1 4.4Å; L328-L332 HydrophobicContact CD1-CD2 4.34Å; L328-L332 HydrophobicContact CD1-CG 4.19Å; L328-L332 HydrophobicContact CG-CD1 4.14Å; L328-L332 HydrophobicContact CG-CG 4.37Å; L328-L332 VanDerWaalsContact O-CG 3.3Å; L328-L332 WeakPolarHBondContact O-CG 3.37Å; L328-L332 PolarHBondContact O-N 2.83Å; K329-L332 PolarHBondContact O-N 3.12Å; L332-G334 VanDerWaalsContact C-N 3.3Å; L332-G334 PolarHBondContact O-N 2.99Å; L332-G335 CarbonylContact O-C 3.6Å; L332-G335 WeakPolarHBondContact O-CA 3.4Å; L332-G335 PolarHBondContact O-N 3.06Å; L332-E336 PolarHBondContact O-N 3.38Å; L332-I364 HydrophobicContact CD2-CG2 3.7Å; L332-T368 HydrophobicContact CD2-CG2 4.26Å; L332-Y373 HydrophobicContact CD2-CE2 3.72Å; L332-Y373 WeakPolarHBondContact CD2-OH 3.39Å
333D98.6Very high98.3Very high50 Ų5033.2 Ų33.227%0.26718%0.177SC..Hα-helixtrans-61.1-40.5175.5-68-22.2000111K329 C330 G335 E336 A337K329-D333 IonicContact NZ-OD1 2.79Å; K329-D333 IonicContact NZ-OD2 3.88Å; K329-D333 PolarHBondContact NZ-OD2 3.31Å; K329-D333 PolarHBondContact O-N 3.1Å; C330-D333 PolarHBondContact O-N 3.09Å; D333-G335 VanDerWaalsContact C-N 3.33Å; D333-G335 PolarHBondContact O-N 3.05Å; D333-E336 PolarHBondContact O-N 3.37Å; D333-A337 PolarHBondContact O-N 3.49Å
334G98.6Very high98.2Very high0 Ų030.8 Ų30.80%015%0.152CC..Hα-helixtrans-63.2-38171.100000112.7G286 C330 A331 L332 E336 A337 V338G286-G334 WeakPolarHBondContact O-CA 3.23Å; C330-G334 PolarHBondContact O-N 3Å; A331-G334 PolarHBondContact O-N 2.79Å; L332-G334 VanDerWaalsContact C-N 3.3Å; L332-G334 PolarHBondContact O-N 2.99Å; G334-E336 VanDerWaalsContact C-N 3.29Å; G334-E336 PolarHBondContact O-N 3.45Å; G334-A337 WeakPolarHBondContact O-CB 3.29Å; G334-A337 PolarHBondContact O-N 3.5Å; G334-V338 WeakPolarHBondContact O-CG2 3.45Å; G334-V338 PolarHBondContact O-N 3.23Å
335G98.7Very high98.1Very high0 Ų029.2 Ų29.20%014%0.144CC..Hα-helixtrans-61.6-35174.500000113.1A331 L332 D333 W339A331-G335 PolarHBondContact O-N 2.98Å; L332-G335 CarbonylContact O-C 3.6Å; L332-G335 WeakPolarHBondContact O-CA 3.4Å; L332-G335 PolarHBondContact O-N 3.06Å; D333-G335 VanDerWaalsContact C-N 3.33Å; D333-G335 PolarHBondContact O-N 3.05Å; G335-W339 WeakPolarHBondContact O-CB 3.44Å; G335-W339 PolarHBondContact O-N 2.99Å
336E98.3Very high97.9Very high43 Ų4326.4 Ų26.420%0.20113%0.126CC..Hα-helixtrans-66.4-44.8171.1-64.3-54.113700111.5M1 L332 D333 G334 V338 W339 T340 K372 R376M1-E336 HydrophobicContact CE-CB 4.14Å; M1-E336 HydrophobicContact CE-CG 4.45Å; M1-E336 WeakPolarHBondContact CE-OE2 3.4Å; L332-E336 PolarHBondContact O-N 3.38Å; D333-E336 PolarHBondContact O-N 3.37Å; G334-E336 VanDerWaalsContact C-N 3.29Å; G334-E336 PolarHBondContact O-N 3.45Å; E336-V338 VanDerWaalsContact C-N 3.31Å; E336-V338 PolarHBondContact O-N 3.14Å; E336-W339 PolarHBondContact O-N 3.43Å; E336-T340 PolarHBondContact O-N 2.69Å; E336-T340 PolarHBondContact O-OG1 3.02Å; E336-T340 VanDerWaalsContact O-OG1 3.06Å; E336-K372 IonicContact OE1-NZ 2.72Å; E336-K372 PolarHBondContact OE1-NZ 2.92Å; E336-K372 IonicContact OE2-NZ 2.63Å; E336-R376 IonicContact OE1-CZ 3.64Å; E336-R376 IonicContact OE1-NH1 2.85Å; E336-R376 PolarHBondContact OE1-NH1 3.36Å; E336-R376 IonicContact OE1-NH2 3.57Å; E336-R376 PolarHBondContact OE1-NH2 3.31Å; E336-R376 IonicContact OE2-CZ 2.65Å; E336-R376 IonicContact OE2-NH1 3.85Å; E336-R376 PolarHBondContact OE2-NH1 2.92Å; E336-R376 IonicContact OE2-NH2 3.79Å; E336-R376 PolarHBondContact OE2-NH2 2.83Å
337A97.7Very high97.8Very high4 Ų422.9 Ų22.93%0.03311%0.113CC..Hα-helixtrans-58.5-43.5174.700000111.9N287 A308 D333 G334 T340 R341N287-A337 HydrophobicContact CB-CB 4.45Å; A308-A337 HydrophobicContact CB-CB 4.4Å; D333-A337 PolarHBondContact O-N 3.49Å; G334-A337 WeakPolarHBondContact O-CB 3.29Å; G334-A337 PolarHBondContact O-N 3.5Å; A337-T340 PolarHBondContact O-N 3.32Å; A337-R341 WeakPolarHBondContact O-CB 3.41Å; A337-R341 PolarHBondContact O-N 3.2Å
338V98.4Very high97.7Very high0 Ų023 Ų230%011%0.114CC..Hα-helixtrans-64.8-42.6176.5175.20000111.5V302 A308 T309 I312 G334 E336 T340 R341 G342 L361 F380V302-V338 HydrophobicContact CG1-CG2 3.9Å; A308-V338 HydrophobicContact CB-CG2 4.09Å; T309-V338 WeakPolarHBondContact OG1-CG2 3.17Å; I312-V338 HydrophobicContact CD1-CG2 3.69Å; G334-V338 WeakPolarHBondContact O-CG2 3.45Å; G334-V338 PolarHBondContact O-N 3.23Å; E336-V338 VanDerWaalsContact C-N 3.31Å; E336-V338 PolarHBondContact O-N 3.14Å; V338-T340 VanDerWaalsContact C-N 3.32Å; V338-T340 PolarHBondContact O-N 2.91Å; V338-R341 PolarHBondContact O-N 3.07Å; V338-G342 WeakPolarHBondContact O-CA 3.47Å; V338-G342 PolarHBondContact O-N 2.73Å; V338-L361 HydrophobicContact CB-CD2 4.33Å; V338-L361 HydrophobicContact CG1-CD1 4.05Å; V338-L361 HydrophobicContact CG1-CD2 4.16Å; V338-L361 HydrophobicContact CG1-CG 3.85Å; V338-F380 HydrophobicContact CG1-CE1 4.46Å; V338-F380 WeakPolarHBondContact O-CZ 3.3Å
339W98.4Very high97.7Very high16 Ų1621.8 Ų21.86%0.06111%0.109CC..Hα-helixtrans-61-41.6176.7177-115.5000112.3N12 F14 D16 G335 E336 Y375 R376 K379 F380N12-W339 PolarHBondContact ND2-O 3.2Å; F14-W339 HydrophobicContact CB-CH2 3.95Å; F14-W339 HydrophobicContact CB-CZ2 4.38Å; D16-W339 HydrophobicContact CB-CZ2 4.27Å; G335-W339 WeakPolarHBondContact O-CB 3.44Å; G335-W339 PolarHBondContact O-N 2.99Å; E336-W339 PolarHBondContact O-N 3.43Å; W339-Y375 HydrophobicContact CH2-CE1 4.45Å; W339-R376 HydrophobicContact CD2-CB 4.33Å; W339-R376 HydrophobicContact CD2-CG 3.68Å; W339-R376 HydrophobicContact CE3-CB 3.49Å; W339-R376 VanDerWaalsContact CE3-CB 3.49Å; W339-R376 HydrophobicContact CE3-CG 3.31Å; W339-R376 HydrophobicContact CG-CG 4.42Å; W339-R376 VanDerWaalsContact CG-NE 3.31Å; W339-R376 HydrophobicContact CH2-CB 4.39Å; W339-R376 HydrophobicContact CH2-CG 3.93Å; W339-R376 HydrophobicContact CZ2-CG 4.26Å; W339-R376 HydrophobicContact CZ3-CB 3.53Å; W339-R376 HydrophobicContact CZ3-CG 3.46Å; W339-R376 VanDerWaalsContact CZ3-CG 3.46Å; W339-K379 HydrophobicContact CH2-CB 4.15Å; W339-K379 HydrophobicContact CH2-CG 4.31Å; W339-K379 HydrophobicContact CZ3-CB 4.13Å; W339-F380 HydrophobicContact CE3-CD2 4.17Å; W339-F380 AromaticContact CE3-CE2 3.56Å; W339-F380 HydrophobicContact CE3-CE2 3.56Å; W339-F380 HydrophobicContact CZ3-CD2 4.01Å; W339-F380 AromaticContact CZ3-CE2 3.78Å; W339-F380 HydrophobicContact CZ3-CE2 3.78Å
340T97.2Very high97.7Very high31 Ų3116 Ų1619%0.198%0.083CC..Hα-helixtrans-72.9-42.1179.8-520000112.5M1 E336 A337 V338M1-T340 HydrophobicContact SD-CG2 4.49Å; M1-T340 PolarHBondContact SD-OG1 3.44Å; E336-T340 PolarHBondContact O-N 2.69Å; E336-T340 PolarHBondContact O-OG1 3.02Å; E336-T340 VanDerWaalsContact O-OG1 3.06Å; A337-T340 PolarHBondContact O-N 3.32Å; V338-T340 VanDerWaalsContact C-N 3.32Å; V338-T340 PolarHBondContact O-N 2.91Å
341R97.1Very high97.7Very high3 Ų315.4 Ų15.41%0.0118%0.08CC..Hα-helixtrans-121.12.3-163.2-59.6165.864.9-166.80114.7D6 H9 N285 D299 V302 A337 V338 L344D6-R341 IonicContact OD2-CZ 3.63Å; D6-R341 IonicContact OD2-NE 2.78Å; D6-R341 PolarHBondContact OD2-NE 3.38Å; D6-R341 IonicContact OD2-NH2 2.77Å; D6-R341 PolarHBondContact OD2-NH2 2.93Å; H9-R341 WeakPolarHBondContact CB-O 3.39Å; N285-R341 PolarHBondContact ND2-NH1 3.15Å; D299-R341 PolarHBondContact O-NH2 3.15Å; D299-R341 IonicContact OD1-CZ 3.9Å; D299-R341 IonicContact OD1-NH1 3.48Å; D299-R341 PolarHBondContact OD1-NH1 3.34Å; D299-R341 IonicContact OD1-NH2 3.26Å; D299-R341 PolarHBondContact OD1-NH2 2.79Å; D299-R341 IonicContact OD2-NH1 3.91Å; V302-R341 HydrophobicContact CB-CB 4.29Å; V302-R341 HydrophobicContact CG2-CB 3.78Å; A337-R341 WeakPolarHBondContact O-CB 3.41Å; A337-R341 PolarHBondContact O-N 3.2Å; V338-R341 PolarHBondContact O-N 3.07Å; R341-L344 VanDerWaalsContact O-CD2 3.28Å; R341-L344 WeakPolarHBondContact O-CD2 3.44Å
342G97.7Very high97.6Very high0 Ų016.7 Ų16.70%09%0.085CC..  trans-85.8-2.9-17400000115.4V338 L344 S354 S357 F380V338-G342 WeakPolarHBondContact O-CA 3.47Å; V338-G342 PolarHBondContact O-N 2.73Å; G342-L344 PolarHBondContact O-N 3.1Å; G342-S354 WeakPolarHBondContact O-CA 3.44Å; G342-S354 PolarHBondContact O-OG 3.16Å; G342-S357 PolarHBondContact O-OG 3.26Å; G342-F380 VanDerWaalsContact C-CE1 3.44Å; G342-F380 WeakPolarHBondContact O-CE1 3.25Å
343L97.7Very high97.5Very high1 Ų114.4 Ų14.41%0.0057%0.074CC..SBendtrans-85.586.9170.1-60.5-172.1000109H9 F10 N12 F14 S354 F380 W383H9-L343 CarbonylContact C-O 3.55Å; H9-L343 VanDerWaalsContact CA-O 3.26Å; H9-L343 WeakPolarHBondContact CA-O 3.45Å; H9-L343 WeakPolarHBondContact CB-O 3.37Å; F10-L343 HydrophobicContact CB-CB 4.36Å; F10-L343 WeakPolarHBondContact CD2-O 3.19Å; F10-L343 PolarHBondContact N-O 3.13Å; N12-L343 HydrophobicContact CB-CD1 4.24Å; F14-L343 HydrophobicContact CD2-CD1 4.31Å; F14-L343 HydrophobicContact CE2-CD1 4.05Å; L343-S354 WeakPolarHBondContact CA-OG 3.48Å; L343-F380 HydrophobicContact CD2-CD1 3.83Å; L343-F380 HydrophobicContact CD2-CD2 4Å; L343-F380 HydrophobicContact CD2-CE1 3.67Å; L343-F380 HydrophobicContact CD2-CE2 3.82Å; L343-F380 HydrophobicContact CD2-CG 4Å; L343-F380 HydrophobicContact CD2-CZ 3.66Å; L343-F380 HydrophobicContact CG-CE1 4.38Å; L343-F380 HydrophobicContact CG-CE2 4.27Å; L343-F380 HydrophobicContact CG-CZ 4.01Å; L343-W383 HydrophobicContact CB-CZ2 4.38Å; L343-W383 HydrophobicContact CD1-CD2 3.89Å; L343-W383 HydrophobicContact CD1-CE3 3.79Å; L343-W383 HydrophobicContact CD1-CG 4.42Å; L343-W383 HydrophobicContact CD1-CZ3 4.13Å; L343-W383 HydrophobicContact CD2-CB 4.11Å; L343-W383 HydrophobicContact CD2-CD2 3.98Å; L343-W383 HydrophobicContact CD2-CG 3.71Å; L343-W383 HydrophobicContact CG-CD2 4.38Å
344L96.9Very high97.5Very high2 Ų212 Ų121%0.016%0.061CC..BIsolated β-bridgetrans-85138.2-161.8-60.7169.8000112.6H9 H303 R341 G342 K346 G347 H352 S354H9-L344 HydrophobicContact CB-CD2 4.46Å; H303-L344 WeakPolarHBondContact CD2-CD1 3.4Å; R341-L344 VanDerWaalsContact O-CD2 3.28Å; R341-L344 WeakPolarHBondContact O-CD2 3.44Å; G342-L344 PolarHBondContact O-N 3.1Å; L344-K346 PolarHBondContact O-N 3.16Å; L344-G347 PolarHBondContact O-N 3.25Å; L344-G347 VanDerWaalsContact O-N 3.15Å; L344-H352 VanDerWaalsContact CD1-C 3.46Å; L344-S354 PolarHBondContact N-OG 3.34Å
345H95.6Very high97.5Very high47 Ų4712 Ų1222%0.2186%0.061CC..THydrogen-bonded Turntrans-56.3-26.3171.9-74.3165.3000112.6G7 R8 H9 F10 G347 T392G7-H345 PolarHBondContact O-ND1 3.39Å; R8-H345 WeakPolarHBondContact O-CB 3.39Å; R8-H345 PolarHBondContact O-N 3.48Å; H9-H345 VanDerWaalsContact C-NE2 3.28Å; H9-H345 PolarHBondContact O-CE1 3.12Å; H9-H345 PolarHBondContact O-NE2 3.27Å; H9-H345 VanDerWaalsContact O-NE2 3.14Å; F10-H345 AromaticContact CD1-CD2 3.6Å; F10-H345 AromaticContact CD1-NE2 3.73Å; F10-H345 AromaticContact CD2-CD2 3.63Å; F10-H345 AromaticContact CE1-CD2 3.6Å; F10-H345 AromaticContact CE1-NE2 4Å; F10-H345 AromaticContact CE2-CD2 3.64Å; F10-H345 AromaticContact CG-CD2 3.63Å; F10-H345 AromaticContact CG-NE2 3.96Å; F10-H345 AromaticContact CZ-CD2 3.63Å; H345-G347 PolarHBondContact O-N 2.94Å; H345-T392 HydrophobicContact CB-CG2 3.67Å; H345-T392 WeakPolarHBondContact O-CB 3.24Å; H345-T392 PolarHBondContact O-N 2.95Å; H345-T392 PolarHBondContact O-OG1 3.11Å
346K94.2Very high97.5Very high60 Ų6012 Ų1226%0.2616%0.061SC..THydrogen-bonded Turntrans-73.1-12.3-176.4-154.6165.4-174.3-157.80113.7L344 H352L344-K346 PolarHBondContact O-N 3.16Å; K346-H352 WeakPolarHBondContact CB-O 3.29Å; K346-H352 HydrophobicContact CD-CB 4.09Å; K346-H352 WeakPolarHBondContact CD-CD2 3.48Å; K346-H352 WeakPolarHBondContact CE-CD2 3.42Å; K346-H352 WeakPolarHBondContact CE-NE2 3.38Å; K346-H352 PolarHBondContact NZ-CD2 2.87Å; K346-H352 PolarHBondContact NZ-CE1 3.14Å; K346-H352 VanDerWaalsContact NZ-CG 3.25Å; K346-H352 PolarHBondContact NZ-ND1 3.49Å; K346-H352 PolarHBondContact NZ-NE2 3.38Å; K346-H352 VanDerWaalsContact NZ-NE2 3.17Å
347G96.2Very high97.5Very high6 Ų610 Ų106%0.0625%0.052CC..  trans114-16217600000113.4L344 H345 G353 S354L344-G347 PolarHBondContact O-N 3.25Å; L344-G347 VanDerWaalsContact O-N 3.15Å; H345-G347 PolarHBondContact O-N 2.94Å; G347-G353 CarbonylContact O-C 3.23Å; G347-G353 WeakPolarHBondContact O-CA 3.33Å; G347-S354 PolarHBondContact O-N 2.95Å
348C97.6Very high97.6Very high6 Ų69.8 Ų9.84%0.0415%0.05CC..SBendtrans-106.418.7-170.2-61.60000114.5A355 C384 C387 T408C348-A355 WeakPolarHBondContact O-CB 3.33Å; C348-C384 HydrophobicContact CB-CB 4.34Å; C348-C387 HydrophobicContact CB-CB 3.67Å; C348-T408 HydrophobicContact CB-CG2 3.91Å; C348-T408 PolarHBondContact O-OG1 3.24Å
349G98Very high97.6Very high4 Ų410.1 Ų10.14%0.0415%0.052CC..  trans-66.7179.4175.500000114.1G353 G356G349-G353 CarbonylContact O-C 3.56Å; G349-G353 WeakPolarHBondContact O-CA 3.5Å; G349-G353 PolarHBondContact O-N 2.89Å; G349-G356 PolarHBondContact O-N 3.04Å
350L98.4Very high97.6Very high0 Ų09.5 Ų9.50%05%0.05CC..THydrogen-bonded Turntrans-87.1-42.5-178.1-68.5177.7000113.9H352 A355 G356 F359 L401 M402 F423 P424L350-H352 PolarHBondContact O-N 2.95Å; L350-A355 HydrophobicContact CD2-CB 3.98Å; L350-G356 WeakPolarHBondContact O-CA 3.39Å; L350-F359 HydrophobicContact CD2-CD2 3.69Å; L350-F359 HydrophobicContact CD2-CE2 3.71Å; L350-L401 HydrophobicContact CD1-CD1 4.13Å; L350-L401 HydrophobicContact CD1-CG 4.3Å; L350-L401 WeakPolarHBondContact CD1-O 3.46Å; L350-M402 HydrophobicContact CB-CE 4.48Å; L350-M402 HydrophobicContact CB-SD 4.2Å; L350-M402 HydrophobicContact CD1-SD 4.27Å; L350-M402 PolarHBondContact N-O 3.34Å; L350-F423 HydrophobicContact CB-CE2 3.85Å; L350-F423 HydrophobicContact CB-CZ 3.88Å; L350-F423 HydrophobicContact CD2-CE2 4.16Å; L350-F423 HydrophobicContact CG-CE2 4.45Å; L350-P424 HydrophobicContact CD1-CG 3.52Å
351C98.2Very high97.7Very high2 Ų28 Ų81%0.0144%0.041CC..THydrogen-bonded Turntrans-68.7-40.3-172.1179.10000112.7Y56 W304 C305 M402Y56-C351 HydrophobicContact CE2-CB 4.34Å; Y56-C351 WeakPolarHBondContact OH-CB 3.23Å; Y56-C351 PolarHBondContact OH-SG 3.35Å; W304-C351 WeakPolarHBondContact CB-O 3.46Å; W304-C351 HydrophobicContact CE3-CB 4.14Å; W304-C351 HydrophobicContact CZ3-CB 4.49Å; W304-C351 PolarHBondContact N-O 2.72Å; C305-C351 VanDerWaalsContact CB-SG 3.52Å; C305-C351 PolarHBondContact N-O 2.99Å; C305-C351 VanDerWaalsContact N-O 3.11Å; C305-C351 VanDerWaalsContact SG-SG 3.64Å; C351-M402 HydrophobicContact CB-CB 4.24Å; C351-M402 HydrophobicContact CB-CE 4.09Å; C351-M402 WeakPolarHBondContact CB-O 3.25Å; C351-M402 PolarHBondContact N-O 3.04Å
352H97Very high97.7Very high26 Ų268 Ų812%0.124%0.041CC..THydrogen-bonded Turntrans-15547.4-174.443.6-110000110.1H303 L344 K346 L350H303-H352 HydrophobicContact CB-CB 3.82Å; H303-H352 VanDerWaalsContact CG-CB 3.49Å; H303-H352 WeakPolarHBondContact ND1-CB 3.49Å; L344-H352 VanDerWaalsContact CD1-C 3.46Å; K346-H352 WeakPolarHBondContact CB-O 3.29Å; K346-H352 HydrophobicContact CD-CB 4.09Å; K346-H352 WeakPolarHBondContact CD-CD2 3.48Å; K346-H352 WeakPolarHBondContact CE-CD2 3.42Å; K346-H352 WeakPolarHBondContact CE-NE2 3.38Å; K346-H352 PolarHBondContact NZ-CD2 2.87Å; K346-H352 PolarHBondContact NZ-CE1 3.14Å; K346-H352 VanDerWaalsContact NZ-CG 3.25Å; K346-H352 PolarHBondContact NZ-ND1 3.49Å; K346-H352 PolarHBondContact NZ-NE2 3.38Å; K346-H352 VanDerWaalsContact NZ-NE2 3.17Å; L350-H352 PolarHBondContact O-N 2.95Å
353G97.6Very high97.7Very high1 Ų18.5 Ų8.51%0.014%0.043CC..SBendtrans-141.9170.1176.500000111.9G347 G349 A355 G356 S357G347-G353 CarbonylContact O-C 3.23Å; G347-G353 WeakPolarHBondContact O-CA 3.33Å; G349-G353 CarbonylContact O-C 3.56Å; G349-G353 WeakPolarHBondContact O-CA 3.5Å; G349-G353 PolarHBondContact O-N 2.89Å; G353-A355 PolarHBondContact O-N 3.02Å; G353-A355 VanDerWaalsContact O-N 3.17Å; G353-G356 PolarHBondContact O-N 3.5Å; G353-G356 VanDerWaalsContact O-N 3.11Å; G353-S357 PolarHBondContact O-N 3.22Å
354S98.4Very high97.8Very high0 Ų08.5 Ų8.50%04%0.043CC..Hα-helixtrans-60.9-26.5-172.8-49.10000113.9G342 L343 L344 G347 S357 G358 F380 W383G342-S354 WeakPolarHBondContact O-CA 3.44Å; G342-S354 PolarHBondContact O-OG 3.16Å; L343-S354 WeakPolarHBondContact CA-OG 3.48Å; L344-S354 PolarHBondContact N-OG 3.34Å; G347-S354 PolarHBondContact O-N 2.95Å; S354-S357 WeakPolarHBondContact O-CB 3.43Å; S354-S357 PolarHBondContact O-N 3.12Å; S354-G358 PolarHBondContact O-N 2.64Å; S354-F380 WeakPolarHBondContact O-CD1 3.38Å; S354-W383 PolarHBondContact OG-NE1 2.64Å
355A98.6Very high97.8Very high0 Ų09.9 Ų9.90%05%0.048CC..Hα-helixtrans-65.9-40.3176.300000112.1C348 L350 G353 S357 G358 F359 F411C348-A355 WeakPolarHBondContact O-CB 3.33Å; L350-A355 HydrophobicContact CD2-CB 3.98Å; G353-A355 PolarHBondContact O-N 3.02Å; G353-A355 VanDerWaalsContact O-N 3.17Å; A355-S357 VanDerWaalsContact C-N 3.34Å; A355-G358 PolarHBondContact O-N 2.92Å; A355-F359 PolarHBondContact O-N 2.85Å; A355-F411 HydrophobicContact CB-CB 3.69Å; A355-F411 HydrophobicContact CB-CD1 3.86Å; A355-F411 HydrophobicContact CB-CG 4.02Å
356G98.5Very high97.9Very high1 Ų19.5 Ų9.51%0.015%0.047CC..Hα-helixtrans-62.2-42.4173.800000112.2T309 G349 L350 G353 G358 F359 A360T309-G356 WeakPolarHBondContact CG2-O 3.38Å; G349-G356 PolarHBondContact O-N 3.04Å; L350-G356 WeakPolarHBondContact O-CA 3.39Å; G353-G356 PolarHBondContact O-N 3.5Å; G353-G356 VanDerWaalsContact O-N 3.11Å; G356-G358 VanDerWaalsContact C-N 3.33Å; G356-G358 PolarHBondContact O-N 3.02Å; G356-F359 WeakPolarHBondContact O-CB 3.46Å; G356-F359 PolarHBondContact O-N 3.26Å; G356-A360 PolarHBondContact O-N 3.39Å; G356-A360 VanDerWaalsContact O-N 3.17Å
357S98.6Very high98.1Very high0 Ų07.9 Ų7.90%04%0.042CC..Hα-helixtrans-60.9-40.9173.9-61.80000112.5G342 G353 S354 A355 F359 A360 L361 F380G342-S357 PolarHBondContact O-OG 3.26Å; G353-S357 PolarHBondContact O-N 3.22Å; S354-S357 WeakPolarHBondContact O-CB 3.43Å; S354-S357 PolarHBondContact O-N 3.12Å; A355-S357 VanDerWaalsContact C-N 3.34Å; S357-F359 PolarHBondContact O-N 3.47Å; S357-A360 PolarHBondContact O-N 3.36Å; S357-L361 PolarHBondContact O-N 2.91Å; S357-F380 VanDerWaalsContact CB-CE1 3.45Å
358G98.6Very high98.2Very high0 Ų09.8 Ų9.80%05%0.052CC..Hα-helixtrans-61-41.1174.600000113S354 A355 G356 A360 L361 L362S354-G358 PolarHBondContact O-N 2.64Å; A355-G358 PolarHBondContact O-N 2.92Å; G356-G358 VanDerWaalsContact C-N 3.33Å; G356-G358 PolarHBondContact O-N 3.02Å; G358-A360 PolarHBondContact O-N 2.9Å; G358-L361 PolarHBondContact O-N 3.39Å; G358-L362 WeakPolarHBondContact O-CB 3.48Å; G358-L362 PolarHBondContact O-N 3.12Å
359F98.6Very high98.1Very high7 Ų715 Ų153%0.0318%0.076CC..Hα-helixtrans-61.7-40.7173.8-91-61.5000113.2L350 A355 G356 S357 L361 L362 E363 Y410 F411 A421 K422 F423L350-F359 HydrophobicContact CD2-CD2 3.69Å; L350-F359 HydrophobicContact CD2-CE2 3.71Å; A355-F359 PolarHBondContact O-N 2.85Å; G356-F359 WeakPolarHBondContact O-CB 3.46Å; G356-F359 PolarHBondContact O-N 3.26Å; S357-F359 PolarHBondContact O-N 3.47Å; F359-L361 VanDerWaalsContact C-N 3.35Å; F359-L361 PolarHBondContact O-N 3.43Å; F359-L362 HydrophobicContact CD1-CD2 4.4Å; F359-L362 WeakPolarHBondContact O-CB 3.17Å; F359-L362 PolarHBondContact O-N 3.43Å; F359-E363 PolarHBondContact O-N 2.9Å; F359-Y410 HydrophobicContact CE2-CD1 4.05Å; F359-Y410 AromaticContact CZ-CD1 3.76Å; F359-Y410 HydrophobicContact CZ-CD1 3.76Å; F359-Y410 HydrophobicContact CZ-CE1 4.13Å; F359-F411 HydrophobicContact CD1-CD2 4.16Å; F359-F411 HydrophobicContact CD2-CB 3.99Å; F359-F411 AromaticContact CD2-CD2 3.7Å; F359-F411 HydrophobicContact CD2-CD2 3.7Å; F359-F411 HydrophobicContact CD2-CG 4.17Å; F359-F411 HydrophobicContact CE1-CD2 4.16Å; F359-F411 VanDerWaalsContact CE2-CA 3.48Å; F359-F411 HydrophobicContact CE2-CB 3.49Å; F359-F411 VanDerWaalsContact CE2-CB 3.49Å; F359-F411 AromaticContact CE2-CD2 3.73Å; F359-F411 HydrophobicContact CE2-CD2 3.73Å; F359-F411 HydrophobicContact CE2-CG 4.05Å; F359-F411 AromaticContact CG-CD2 3.93Å; F359-F411 HydrophobicContact CG-CD2 3.93Å; F359-F411 HydrophobicContact CG-CE2 4.49Å; F359-F411 HydrophobicContact CZ-CB 4.11Å; F359-F411 AromaticContact CZ-CD2 3.95Å; F359-F411 HydrophobicContact CZ-CD2 3.95Å; F359-A421 HydrophobicContact CE1-CB 4.28Å; F359-K422 VanDerWaalsContact CE1-C 3.47Å; F359-K422 WeakPolarHBondContact CE1-O 3.44Å; F359-F423 HydrophobicContact CB-CB 4.33Å; F359-F423 HydrophobicContact CB-CD2 3.97Å; F359-F423 HydrophobicContact CD1-CB 4.48Å; F359-F423 AromaticContact CD2-CD2 3.97Å; F359-F423 HydrophobicContact CD2-CD2 3.97Å; F359-F423 HydrophobicContact CG-CB 4.24Å; F359-F423 HydrophobicContact CG-CD2 4.15Å
360A98.6Very high98.1Very high3 Ų317.6 Ų17.63%0.0259%0.089CC..Hα-helixtrans-63.2-41.1178.100000112.1T309 I312 G356 S357 G358 L362 E363 I364T309-A360 HydrophobicContact CG2-CB 3.94Å; I312-A360 HydrophobicContact CB-CB 4.49Å; I312-A360 HydrophobicContact CD1-CB 3.99Å; I312-A360 HydrophobicContact CG2-CB 4.49Å; G356-A360 PolarHBondContact O-N 3.39Å; G356-A360 VanDerWaalsContact O-N 3.17Å; S357-A360 PolarHBondContact O-N 3.36Å; G358-A360 PolarHBondContact O-N 2.9Å; A360-L362 VanDerWaalsContact C-N 3.35Å; A360-E363 PolarHBondContact O-N 3.4Å; A360-I364 WeakPolarHBondContact O-CG1 3.24Å; A360-I364 PolarHBondContact O-N 3.22Å
361L98.7Very high98Very high0 Ų019.7 Ų19.70%010%0.103CC..Hα-helixtrans-64.4-41.1173.9-65.5167.6000111.4V338 S357 G358 F359 E363 I364 Y365 Y373 R376 A377 F380V338-L361 HydrophobicContact CB-CD2 4.33Å; V338-L361 HydrophobicContact CG1-CD1 4.05Å; V338-L361 HydrophobicContact CG1-CD2 4.16Å; V338-L361 HydrophobicContact CG1-CG 3.85Å; S357-L361 PolarHBondContact O-N 2.91Å; G358-L361 PolarHBondContact O-N 3.39Å; F359-L361 VanDerWaalsContact C-N 3.35Å; F359-L361 PolarHBondContact O-N 3.43Å; L361-E363 VanDerWaalsContact C-N 3.31Å; L361-E363 PolarHBondContact O-N 3.17Å; L361-I364 WeakPolarHBondContact O-CB 3.29Å; L361-I364 PolarHBondContact O-N 3.06Å; L361-Y365 PolarHBondContact O-N 3.46Å; L361-Y365 VanDerWaalsContact O-N 3.12Å; L361-Y373 HydrophobicContact CD2-CD1 4.1Å; L361-R376 HydrophobicContact CD1-CB 3.97Å; L361-A377 HydrophobicContact CB-CB 4.27Å; L361-F380 HydrophobicContact CD1-CD1 4.4Å; L361-F380 HydrophobicContact CD1-CD2 3.96Å; L361-F380 HydrophobicContact CD1-CE1 4.39Å; L361-F380 HydrophobicContact CD1-CE2 3.98Å; L361-F380 HydrophobicContact CD1-CG 4.19Å; L361-F380 HydrophobicContact CD1-CZ 4.2Å
362L98.3Very high98Very high1 Ų121.7 Ų21.71%0.00511%0.111CC..Hα-helixtrans-62.5-38.3177.3-173.260.9000112.2G358 F359 A360 I364 Y365 Q366 L374 A377 I415 P418 A421G358-L362 WeakPolarHBondContact O-CB 3.48Å; G358-L362 PolarHBondContact O-N 3.12Å; F359-L362 HydrophobicContact CD1-CD2 4.4Å; F359-L362 WeakPolarHBondContact O-CB 3.17Å; F359-L362 PolarHBondContact O-N 3.43Å; A360-L362 VanDerWaalsContact C-N 3.35Å; L362-I364 VanDerWaalsContact C-N 3.33Å; L362-I364 PolarHBondContact O-N 3.43Å; L362-Y365 HydrophobicContact CD1-CD1 3.96Å; L362-Y365 WeakPolarHBondContact O-CB 3.33Å; L362-Y365 PolarHBondContact O-N 3.08Å; L362-Q366 VanDerWaalsContact O-CG 3.31Å; L362-Q366 WeakPolarHBondContact O-CG 3.43Å; L362-Q366 PolarHBondContact O-N 2.89Å; L362-L374 HydrophobicContact CD1-CD1 4.21Å; L362-A377 HydrophobicContact CB-CB 4.07Å; L362-A377 HydrophobicContact CD1-CB 4.34Å; L362-I415 HydrophobicContact CD1-CD1 4.03Å; L362-I415 HydrophobicContact CD2-CD1 4.08Å; L362-P418 HydrophobicContact CD1-CB 3.67Å; L362-A421 HydrophobicContact CD2-CB 3.72Å
363E98.2Very high98.1Very high12 Ų1220.9 Ų20.96%0.05611%0.107CC..Hα-helixtrans-67.8-33.5178.2-160177139.200112.4P313 L316 F359 A360 L361 Q366 T367 G428P313-E363 WeakPolarHBondContact CA-OE1 3.45Å; P313-E363 WeakPolarHBondContact CB-OE1 3.47Å; L316-E363 HydrophobicContact CD1-CB 3.98Å; L316-E363 HydrophobicContact CD1-CG 3.78Å; F359-E363 PolarHBondContact O-N 2.9Å; A360-E363 PolarHBondContact O-N 3.4Å; L361-E363 VanDerWaalsContact C-N 3.31Å; L361-E363 PolarHBondContact O-N 3.17Å; E363-Q366 PolarHBondContact O-N 3.18Å; E363-T367 PolarHBondContact O-N 3Å; E363-T367 VanDerWaalsContact O-N 3.12Å; E363-T367 PolarHBondContact O-OG1 3.23Å; E363-G428 WeakPolarHBondContact OE1-CA 3.34Å; E363-G428 PolarHBondContact OE1-N 3.29Å; E363-G428 VanDerWaalsContact OE1-N 3.11Å; E363-G428 PolarHBondContact OE2-N 2.63Å
364I98.6Very high98.1Very high0 Ų021.3 Ų21.30%011%0.109CC..Hα-helixtrans-61.6-50.8170.3-62.5169.8000109.3I312 L316 A331 L332 A360 L361 L362 Q366 T367 T368 Y373I312-I364 HydrophobicContact CD1-CD1 4.34Å; I312-I364 HydrophobicContact CG2-CD1 4.02Å; I312-I364 HydrophobicContact CG2-CG1 3.72Å; L316-I364 HydrophobicContact CD1-CG1 3.99Å; L316-I364 HydrophobicContact CD2-CG1 4.49Å; A331-I364 WeakPolarHBondContact O-CD1 3.37Å; L332-I364 HydrophobicContact CD2-CG2 3.7Å; A360-I364 WeakPolarHBondContact O-CG1 3.24Å; A360-I364 PolarHBondContact O-N 3.22Å; L361-I364 WeakPolarHBondContact O-CB 3.29Å; L361-I364 PolarHBondContact O-N 3.06Å; L362-I364 VanDerWaalsContact C-N 3.33Å; L362-I364 PolarHBondContact O-N 3.43Å; I364-Q366 VanDerWaalsContact C-N 3.32Å; I364-Q366 PolarHBondContact O-N 3.1Å; I364-T367 PolarHBondContact O-N 2.94Å; I364-T368 HydrophobicContact CG2-CG2 4.07Å; I364-T368 PolarHBondContact O-N 3.42Å; I364-T368 PolarHBondContact O-OG1 3.4Å; I364-Y373 HydrophobicContact CB-CD1 3.85Å; I364-Y373 HydrophobicContact CB-CE1 4.28Å; I364-Y373 HydrophobicContact CB-CG 3.98Å; I364-Y373 HydrophobicContact CD1-CD1 3.93Å; I364-Y373 HydrophobicContact CD1-CE1 3.77Å; I364-Y373 HydrophobicContact CG2-CD1 3.61Å; I364-Y373 HydrophobicContact CG2-CD2 3.6Å; I364-Y373 HydrophobicContact CG2-CE1 3.72Å; I364-Y373 HydrophobicContact CG2-CE2 3.7Å; I364-Y373 HydrophobicContact CG2-CG 3.54Å
365Y98.1Very high98.1Very high31 Ų3122.1 Ų22.112%0.12211%0.112CC..Hα-helixtrans-54.5-47176.1163.5-110000112L361 L362 T367 T368 Q369 D370 L374 P418L361-Y365 PolarHBondContact O-N 3.46Å; L361-Y365 VanDerWaalsContact O-N 3.12Å; L362-Y365 HydrophobicContact CD1-CD1 3.96Å; L362-Y365 WeakPolarHBondContact O-CB 3.33Å; L362-Y365 PolarHBondContact O-N 3.08Å; Y365-T367 PolarHBondContact O-N 3.4Å; Y365-T368 PolarHBondContact O-N 2.96Å; Y365-Q369 VanDerWaalsContact O-CA 3.23Å; Y365-Q369 WeakPolarHBondContact O-CA 3.42Å; Y365-Q369 PolarHBondContact O-N 3.25Å; Y365-Q369 PolarHBondContact O-NE2 3.48Å; Y365-D370 WeakPolarHBondContact CD2-O 3.13Å; Y365-L374 HydrophobicContact CD1-CB 4.09Å; Y365-L374 HydrophobicContact CD1-CD1 4.19Å; Y365-L374 HydrophobicContact CD2-CB 3.69Å; Y365-L374 HydrophobicContact CE1-CB 4.3Å; Y365-L374 HydrophobicContact CE1-CD1 4.16Å; Y365-L374 HydrophobicContact CE1-CD2 4.15Å; Y365-L374 HydrophobicContact CE1-CG 4.44Å; Y365-L374 HydrophobicContact CE2-CB 3.93Å; Y365-L374 HydrophobicContact CE2-CD2 4.15Å; Y365-L374 HydrophobicContact CG-CB 3.76Å; Y365-P418 HydrophobicContact CE1-CB 4.37Å
366Q97.7Very high98.1Very high40 Ų4022.1 Ų22.119%0.18711%0.112CC..Hα-helixtrans-60.2-30.9179.6-71.7167.2-9.200112.5L362 E363 I364 Q369 P418 A421L362-Q366 VanDerWaalsContact O-CG 3.31Å; L362-Q366 WeakPolarHBondContact O-CG 3.43Å; L362-Q366 PolarHBondContact O-N 2.89Å; E363-Q366 PolarHBondContact O-N 3.18Å; I364-Q366 VanDerWaalsContact C-N 3.32Å; I364-Q366 PolarHBondContact O-N 3.1Å; Q366-Q369 PolarHBondContact O-NE2 3.27Å; Q366-P418 PolarHBondContact NE2-O 2.83Å; Q366-A421 PolarHBondContact NE2-O 2.81Å
367T97.8Very high98.1Very high26 Ų2622.1 Ų22.116%0.1611%0.112CC..Hα-helixtrans-84.3-39.9179.5-55.60000112.8L316 F319 K320 E363 I364 Y365L316-T367 HydrophobicContact CD2-CG2 3.99Å; F319-T367 HydrophobicContact CD1-CG2 3.88Å; F319-T367 HydrophobicContact CE1-CG2 4.11Å; K320-T367 WeakPolarHBondContact CE-OG1 3.31Å; K320-T367 HydrophobicContact CG-CG2 4.42Å; K320-T367 PolarHBondContact NZ-OG1 3.48Å; K320-T367 VanDerWaalsContact NZ-OG1 3.16Å; E363-T367 PolarHBondContact O-N 3Å; E363-T367 VanDerWaalsContact O-N 3.12Å; E363-T367 PolarHBondContact O-OG1 3.23Å; I364-T367 PolarHBondContact O-N 2.94Å; Y365-T367 PolarHBondContact O-N 3.4Å
368T97.5Very high98Very high45 Ų4522.3 Ų22.328%0.27611%0.113SC..Hα-helixtrans-99.3-21-172.562.80000114.3L328 L332 I364 Y365 D370L328-T368 HydrophobicContact CD1-CG2 3.73Å; L332-T368 HydrophobicContact CD2-CG2 4.26Å; I364-T368 HydrophobicContact CG2-CG2 4.07Å; I364-T368 PolarHBondContact O-N 3.42Å; I364-T368 PolarHBondContact O-OG1 3.4Å; Y365-T368 PolarHBondContact O-N 2.96Å; T368-D370 PolarHBondContact O-N 2.94Å; T368-D370 WeakPolarHBondContact OG1-CB 3.22Å; T368-D370 PolarHBondContact OG1-N 2.93Å; T368-D370 VanDerWaalsContact OG1-N 3.17Å
369Q96.9Very high98Very high115 Ų11524 Ų2454%0.53712%0.12SC..  trans57.518.4-167.6-56.2-62.6-54.400113.8Y365 Q366 P371Y365-Q369 VanDerWaalsContact O-CA 3.23Å; Y365-Q369 WeakPolarHBondContact O-CA 3.42Å; Y365-Q369 PolarHBondContact O-N 3.25Å; Y365-Q369 PolarHBondContact O-NE2 3.48Å; Q366-Q369 PolarHBondContact O-NE2 3.27Å; Q369-P371 WeakPolarHBondContact O-CD 3.42Å
370D97.1Very high98Very high60 Ų6023.7 Ų23.732%0.32112%0.119SC..  trans-76.6115.5177.6176.3-3.7000110.3Y365 T368 K372 Y373Y365-D370 WeakPolarHBondContact CD2-O 3.13Å; T368-D370 PolarHBondContact O-N 2.94Å; T368-D370 WeakPolarHBondContact OG1-CB 3.22Å; T368-D370 PolarHBondContact OG1-N 2.93Å; T368-D370 VanDerWaalsContact OG1-N 3.17Å; D370-K372 PolarHBondContact O-N 3.44Å; D370-K372 VanDerWaalsContact O-N 3.08Å; D370-K372 VanDerWaalsContact OD1-CB 3.23Å; D370-K372 WeakPolarHBondContact OD1-CB 3.38Å; D370-K372 PolarHBondContact OD1-N 2.85Å; D370-Y373 HydrophobicContact CB-CD2 3.92Å; D370-Y373 HydrophobicContact CB-CE2 4.35Å; D370-Y373 PolarHBondContact O-N 3.02Å; D370-Y373 VanDerWaalsContact O-N 3.1Å; D370-Y373 WeakPolarHBondContact OD2-CE2 3.37Å
371P97.2Very high98Very high43 Ų4323.5 Ų23.528%0.27912%0.118SC..Hα-helixtrans-59.8-22.8-175.824.6-35000113.9Y17 L23 Q369 Y373 L374 Y375Y17-P371 HydrophobicContact CE1-CB 4.35Å; Y17-P371 HydrophobicContact CE1-CG 3.98Å; Y17-P371 HydrophobicContact CE2-CB 4.37Å; L23-P371 HydrophobicContact CD1-CB 3.51Å; Q369-P371 WeakPolarHBondContact O-CD 3.42Å; P371-Y373 VanDerWaalsContact C-N 3.26Å; P371-Y373 PolarHBondContact O-N 3.31Å; P371-L374 PolarHBondContact O-N 2.96Å; P371-Y375 PolarHBondContact O-N 3.08Å
372K98Very high97.9Very high45 Ų4525.8 Ų25.820%0.19613%0.128CC..Hα-helixtrans-54.2-44.6174.6174.5178.3169.5-171.80111.5Y17 E336 D370 Y375 R376Y17-K372 HydrophobicContact CD1-CB 3.79Å; Y17-K372 HydrophobicContact CD1-CG 4.45Å; Y17-K372 HydrophobicContact CG-CB 4.16Å; E336-K372 IonicContact OE1-NZ 2.72Å; E336-K372 PolarHBondContact OE1-NZ 2.92Å; E336-K372 IonicContact OE2-NZ 2.63Å; D370-K372 PolarHBondContact O-N 3.44Å; D370-K372 VanDerWaalsContact O-N 3.08Å; D370-K372 VanDerWaalsContact OD1-CB 3.23Å; D370-K372 WeakPolarHBondContact OD1-CB 3.38Å; D370-K372 PolarHBondContact OD1-N 2.85Å; K372-Y375 WeakPolarHBondContact O-CB 3.43Å; K372-Y375 PolarHBondContact O-N 3.16Å; K372-R376 VanDerWaalsContact O-CG 3.27Å; K372-R376 WeakPolarHBondContact O-CG 3.39Å; K372-R376 PolarHBondContact O-N 3.36Å
373Y98.3Very high97.9Very high8 Ų827.1 Ų27.13%0.03113%0.133CC..Hα-helixtrans-74.7-32.1-176.6-68.7-80.9000112.4L332 L361 I364 D370 P371 R376 A377L332-Y373 HydrophobicContact CD2-CE2 3.72Å; L332-Y373 WeakPolarHBondContact CD2-OH 3.39Å; L361-Y373 HydrophobicContact CD2-CD1 4.1Å; I364-Y373 HydrophobicContact CB-CD1 3.85Å; I364-Y373 HydrophobicContact CB-CE1 4.28Å; I364-Y373 HydrophobicContact CB-CG 3.98Å; I364-Y373 HydrophobicContact CD1-CD1 3.93Å; I364-Y373 HydrophobicContact CD1-CE1 3.77Å; I364-Y373 HydrophobicContact CG2-CD1 3.61Å; I364-Y373 HydrophobicContact CG2-CD2 3.6Å; I364-Y373 HydrophobicContact CG2-CE1 3.72Å; I364-Y373 HydrophobicContact CG2-CE2 3.7Å; I364-Y373 HydrophobicContact CG2-CG 3.54Å; D370-Y373 HydrophobicContact CB-CD2 3.92Å; D370-Y373 HydrophobicContact CB-CE2 4.35Å; D370-Y373 PolarHBondContact O-N 3.02Å; D370-Y373 VanDerWaalsContact O-N 3.1Å; D370-Y373 WeakPolarHBondContact OD2-CE2 3.37Å; P371-Y373 VanDerWaalsContact C-N 3.26Å; P371-Y373 PolarHBondContact O-N 3.31Å; Y373-R376 PolarHBondContact O-N 3.02Å; Y373-A377 WeakPolarHBondContact O-CB 3.34Å; Y373-A377 PolarHBondContact O-N 3.38Å
374L97.8Very high97.9Very high11 Ų1126.5 Ų26.56%0.05813%0.13CC..Hα-helixtrans-63.5-47.7170.617857.9000110.6L23 L362 Y365 P371 R376 A377 I378 P418L23-L374 HydrophobicContact CB-CD2 4.1Å; L362-L374 HydrophobicContact CD1-CD1 4.21Å; Y365-L374 HydrophobicContact CD1-CB 4.09Å; Y365-L374 HydrophobicContact CD1-CD1 4.19Å; Y365-L374 HydrophobicContact CD2-CB 3.69Å; Y365-L374 HydrophobicContact CE1-CB 4.3Å; Y365-L374 HydrophobicContact CE1-CD1 4.16Å; Y365-L374 HydrophobicContact CE1-CD2 4.15Å; Y365-L374 HydrophobicContact CE1-CG 4.44Å; Y365-L374 HydrophobicContact CE2-CB 3.93Å; Y365-L374 HydrophobicContact CE2-CD2 4.15Å; Y365-L374 HydrophobicContact CG-CB 3.76Å; P371-L374 PolarHBondContact O-N 2.96Å; L374-R376 VanDerWaalsContact C-N 3.34Å; L374-R376 PolarHBondContact O-N 2.87Å; L374-A377 PolarHBondContact O-N 3.16Å; L374-I378 HydrophobicContact CD1-CD1 4.11Å; L374-I378 HydrophobicContact CD1-CG1 4.27Å; L374-I378 HydrophobicContact CG-CD1 3.98Å; L374-I378 VanDerWaalsContact O-CG1 3.3Å; L374-I378 WeakPolarHBondContact O-CG1 3.49Å; L374-I378 PolarHBondContact O-N 3.3Å; L374-P418 HydrophobicContact CD1-CB 3.59Å; L374-P418 HydrophobicContact CD1-CG 4.02Å
375Y98.1Very high97.8Very high17 Ų1727 Ų277%0.06713%0.133CC..Hα-helixtrans-54.8-50.3175.3175.7-89.9000111.5Q15 Y17 D21 L23 W339 P371 K372 A377 I378 K379Q15-Y375 WeakPolarHBondContact O-CE1 3.33Å; Q15-Y375 PolarHBondContact O-OH 3.41Å; Y17-Y375 HydrophobicContact CD2-CD1 4.42Å; Y17-Y375 AromaticContact CD2-CD2 3.93Å; Y17-Y375 HydrophobicContact CD2-CD2 3.93Å; Y17-Y375 AromaticContact CD2-CG 3.74Å; Y17-Y375 HydrophobicContact CD2-CG 3.74Å; Y17-Y375 HydrophobicContact CG-CG 4.29Å; D21-Y375 HydrophobicContact CB-CD2 3.73Å; D21-Y375 HydrophobicContact CB-CE2 3.65Å; L23-Y375 HydrophobicContact CD2-CD2 4.37Å; W339-Y375 HydrophobicContact CH2-CE1 4.45Å; P371-Y375 PolarHBondContact O-N 3.08Å; K372-Y375 WeakPolarHBondContact O-CB 3.43Å; K372-Y375 PolarHBondContact O-N 3.16Å; Y375-A377 VanDerWaalsContact C-N 3.33Å; Y375-A377 PolarHBondContact O-N 3.06Å; Y375-I378 WeakPolarHBondContact O-CB 3.48Å; Y375-I378 PolarHBondContact O-N 3.27Å; Y375-I378 VanDerWaalsContact O-N 3.12Å; Y375-K379 HydrophobicContact CD1-CG 4.06Å; Y375-K379 HydrophobicContact CE1-CD 4.35Å; Y375-K379 HydrophobicContact CE1-CG 3.63Å; Y375-K379 WeakPolarHBondContact O-CG 3.41Å; Y375-K379 PolarHBondContact O-N 3.04Å; Y375-K379 VanDerWaalsContact OH-CE 3.3Å; Y375-K379 WeakPolarHBondContact OH-CE 3.31Å
376R98.4Very high97.7Very high0 Ų028.3 Ų28.30%014%0.143CC..Hα-helixtrans-60.5-42179.4-69.8-177.8166.7-174.6-6.5111.9D16 E336 W339 L361 K372 Y373 L374 I378 K379 F380D16-R376 IonicContact OD1-CZ 2.74Å; D16-R376 IonicContact OD1-NE 3.62Å; D16-R376 PolarHBondContact OD1-NE 3.01Å; D16-R376 IonicContact OD1-NH2 3.92Å; D16-R376 PolarHBondContact OD1-NH2 3.32Å; D16-R376 IonicContact OD2-CZ 3.36Å; D16-R376 IonicContact OD2-NE 3.91Å; D16-R376 IonicContact OD2-NH2 3.35Å; D16-R376 PolarHBondContact OD2-NH2 3.05Å; E336-R376 IonicContact OE1-CZ 3.64Å; E336-R376 IonicContact OE1-NH1 2.85Å; E336-R376 PolarHBondContact OE1-NH1 3.36Å; E336-R376 IonicContact OE1-NH2 3.57Å; E336-R376 PolarHBondContact OE1-NH2 3.31Å; E336-R376 IonicContact OE2-CZ 2.65Å; E336-R376 IonicContact OE2-NH1 3.85Å; E336-R376 PolarHBondContact OE2-NH1 2.92Å; E336-R376 IonicContact OE2-NH2 3.79Å; E336-R376 PolarHBondContact OE2-NH2 2.83Å; W339-R376 HydrophobicContact CD2-CB 4.33Å; W339-R376 HydrophobicContact CD2-CG 3.68Å; W339-R376 HydrophobicContact CE3-CB 3.49Å; W339-R376 VanDerWaalsContact CE3-CB 3.49Å; W339-R376 HydrophobicContact CE3-CG 3.31Å; W339-R376 HydrophobicContact CG-CG 4.42Å; W339-R376 VanDerWaalsContact CG-NE 3.31Å; W339-R376 HydrophobicContact CH2-CB 4.39Å; W339-R376 HydrophobicContact CH2-CG 3.93Å; W339-R376 HydrophobicContact CZ2-CG 4.26Å; W339-R376 HydrophobicContact CZ3-CB 3.53Å; W339-R376 HydrophobicContact CZ3-CG 3.46Å; W339-R376 VanDerWaalsContact CZ3-CG 3.46Å; L361-R376 HydrophobicContact CD1-CB 3.97Å; K372-R376 VanDerWaalsContact O-CG 3.27Å; K372-R376 WeakPolarHBondContact O-CG 3.39Å; K372-R376 PolarHBondContact O-N 3.36Å; Y373-R376 PolarHBondContact O-N 3.02Å; L374-R376 VanDerWaalsContact C-N 3.34Å; L374-R376 PolarHBondContact O-N 2.87Å; R376-I378 PolarHBondContact O-N 3.48Å; R376-K379 PolarHBondContact O-N 2.91Å; R376-F380 VanDerWaalsContact O-CD2 3.29Å; R376-F380 WeakPolarHBondContact O-CD2 3.42Å; R376-F380 PolarHBondContact O-N 3.08Å
377A98.4Very high97.6Very high0 Ų027 Ų270%014%0.137CC..Hα-helixtrans-62.1-40.8174.500000112.1L361 L362 Y373 L374 Y375 K379 F380 A381 F411 I415L361-A377 HydrophobicContact CB-CB 4.27Å; L362-A377 HydrophobicContact CB-CB 4.07Å; L362-A377 HydrophobicContact CD1-CB 4.34Å; Y373-A377 WeakPolarHBondContact O-CB 3.34Å; Y373-A377 PolarHBondContact O-N 3.38Å; L374-A377 PolarHBondContact O-N 3.16Å; Y375-A377 VanDerWaalsContact C-N 3.33Å; Y375-A377 PolarHBondContact O-N 3.06Å; A377-K379 PolarHBondContact O-N 3.45Å; A377-F380 PolarHBondContact O-N 3.17Å; A377-A381 PolarHBondContact O-N 3.31Å; A377-F411 WeakPolarHBondContact O-CZ 3.48Å; A377-I415 HydrophobicContact CB-CD1 3.95Å
378I97.8Very high97.5Very high4 Ų431.4 Ų31.42%0.02116%0.155CC..Hα-helixtrans-62.2-41.7174.6-67.3169.6000110.9L23 V25 T28 L374 Y375 R376 F380 A381 E382 I415L23-I378 VanDerWaalsContact O-CD1 3.3Å; L23-I378 WeakPolarHBondContact O-CD1 3.49Å; V25-I378 HydrophobicContact CG2-CD1 3.78Å; V25-I378 HydrophobicContact CG2-CG1 3.78Å; T28-I378 HydrophobicContact CG2-CG2 4.31Å; L374-I378 HydrophobicContact CD1-CD1 4.11Å; L374-I378 HydrophobicContact CD1-CG1 4.27Å; L374-I378 HydrophobicContact CG-CD1 3.98Å; L374-I378 VanDerWaalsContact O-CG1 3.3Å; L374-I378 WeakPolarHBondContact O-CG1 3.49Å; L374-I378 PolarHBondContact O-N 3.3Å; Y375-I378 WeakPolarHBondContact O-CB 3.48Å; Y375-I378 PolarHBondContact O-N 3.27Å; Y375-I378 VanDerWaalsContact O-N 3.12Å; R376-I378 PolarHBondContact O-N 3.48Å; I378-F380 VanDerWaalsContact C-N 3.33Å; I378-F380 PolarHBondContact O-N 2.65Å; I378-A381 CarbonylContact O-C 3.58Å; I378-A381 WeakPolarHBondContact O-CA 3.39Å; I378-A381 WeakPolarHBondContact O-CB 3.27Å; I378-A381 PolarHBondContact O-N 3.09Å; I378-E382 PolarHBondContact O-N 3.4Å; I378-I415 HydrophobicContact CG1-CD1 4.49Å; I378-I415 HydrophobicContact CG1-CG1 4.24Å
379K97.9Very high97.3Very high36 Ų3636.9 Ų36.916%0.15718%0.175CC..Hα-helixtrans-64.9-36.2176.6-64.9-62.2165.6-1560113.1F14 W339 Y375 R376 A377 A381 E382 W383F14-K379 HydrophobicContact CB-CB 4.31Å; F14-K379 HydrophobicContact CB-CD 4.28Å; F14-K379 HydrophobicContact CB-CG 4.23Å; F14-K379 HydrophobicContact CD1-CB 4.42Å; F14-K379 HydrophobicContact CD1-CD 3.84Å; F14-K379 HydrophobicContact CD2-CB 3.83Å; F14-K379 HydrophobicContact CE1-CD 4.35Å; F14-K379 HydrophobicContact CE2-CB 4.24Å; F14-K379 WeakPolarHBondContact CE2-O 3.39Å; F14-K379 HydrophobicContact CG-CB 3.93Å; F14-K379 HydrophobicContact CG-CD 4.03Å; F14-K379 HydrophobicContact CG-CG 4.21Å; W339-K379 HydrophobicContact CH2-CB 4.15Å; W339-K379 HydrophobicContact CH2-CG 4.31Å; W339-K379 HydrophobicContact CZ3-CB 4.13Å; Y375-K379 HydrophobicContact CD1-CG 4.06Å; Y375-K379 HydrophobicContact CE1-CD 4.35Å; Y375-K379 HydrophobicContact CE1-CG 3.63Å; Y375-K379 WeakPolarHBondContact O-CG 3.41Å; Y375-K379 PolarHBondContact O-N 3.04Å; Y375-K379 VanDerWaalsContact OH-CE 3.3Å; Y375-K379 WeakPolarHBondContact OH-CE 3.31Å; R376-K379 PolarHBondContact O-N 2.91Å; A377-K379 PolarHBondContact O-N 3.45Å; K379-A381 VanDerWaalsContact C-N 3.32Å; K379-E382 VanDerWaalsContact CD-OE2 3.29Å; K379-E382 WeakPolarHBondContact CD-OE2 3.47Å; K379-E382 IonicContact NZ-OE1 3.47Å; K379-E382 PolarHBondContact NZ-OE1 3.25Å; K379-E382 IonicContact NZ-OE2 2.71Å; K379-E382 PolarHBondContact NZ-OE2 3.37Å; K379-E382 PolarHBondContact O-N 2.71Å; K379-W383 PolarHBondContact O-N 3.12Å
380F98.3Very high97.2Very high0 Ų032.9 Ų32.90%016%0.157CC..Hα-helixtrans-66.8-34.9170.9-85.4-122.9000111.8V338 W339 G342 L343 S354 S357 L361 R376 A377 I378 W383 C384 F411V338-F380 HydrophobicContact CG1-CE1 4.46Å; V338-F380 WeakPolarHBondContact O-CZ 3.3Å; W339-F380 HydrophobicContact CE3-CD2 4.17Å; W339-F380 AromaticContact CE3-CE2 3.56Å; W339-F380 HydrophobicContact CE3-CE2 3.56Å; W339-F380 HydrophobicContact CZ3-CD2 4.01Å; W339-F380 AromaticContact CZ3-CE2 3.78Å; W339-F380 HydrophobicContact CZ3-CE2 3.78Å; G342-F380 VanDerWaalsContact C-CE1 3.44Å; G342-F380 WeakPolarHBondContact O-CE1 3.25Å; L343-F380 HydrophobicContact CD2-CD1 3.83Å; L343-F380 HydrophobicContact CD2-CD2 4Å; L343-F380 HydrophobicContact CD2-CE1 3.67Å; L343-F380 HydrophobicContact CD2-CE2 3.82Å; L343-F380 HydrophobicContact CD2-CG 4Å; L343-F380 HydrophobicContact CD2-CZ 3.66Å; L343-F380 HydrophobicContact CG-CE1 4.38Å; L343-F380 HydrophobicContact CG-CE2 4.27Å; L343-F380 HydrophobicContact CG-CZ 4.01Å; S354-F380 WeakPolarHBondContact O-CD1 3.38Å; S357-F380 VanDerWaalsContact CB-CE1 3.45Å; L361-F380 HydrophobicContact CD1-CD1 4.4Å; L361-F380 HydrophobicContact CD1-CD2 3.96Å; L361-F380 HydrophobicContact CD1-CE1 4.39Å; L361-F380 HydrophobicContact CD1-CE2 3.98Å; L361-F380 HydrophobicContact CD1-CG 4.19Å; L361-F380 HydrophobicContact CD1-CZ 4.2Å; R376-F380 VanDerWaalsContact O-CD2 3.29Å; R376-F380 WeakPolarHBondContact O-CD2 3.42Å; R376-F380 PolarHBondContact O-N 3.08Å; A377-F380 PolarHBondContact O-N 3.17Å; I378-F380 VanDerWaalsContact C-N 3.33Å; I378-F380 PolarHBondContact O-N 2.65Å; F380-W383 WeakPolarHBondContact O-CB 3.43Å; F380-W383 PolarHBondContact O-N 3.41Å; F380-C384 WeakPolarHBondContact O-CB 3.3Å; F380-C384 PolarHBondContact O-N 2.96Å; F380-C384 PolarHBondContact O-SG 3.36Å; F380-F411 HydrophobicContact CB-CE1 4.35Å; F380-F411 HydrophobicContact CB-CZ 4.48Å
381A98.3Very high96.9Very high0 Ų031.3 Ų31.30%015%0.152CC..Hα-helixtrans-67.8-43.8173.300000111.8I30 A377 I378 K379 W383 C384 T385 F411 L412 I415I30-A381 HydrophobicContact CD1-CB 3.66Å; A377-A381 PolarHBondContact O-N 3.31Å; I378-A381 CarbonylContact O-C 3.58Å; I378-A381 WeakPolarHBondContact O-CA 3.39Å; I378-A381 WeakPolarHBondContact O-CB 3.27Å; I378-A381 PolarHBondContact O-N 3.09Å; K379-A381 VanDerWaalsContact C-N 3.32Å; A381-W383 VanDerWaalsContact C-N 3.32Å; A381-W383 PolarHBondContact O-N 3Å; A381-C384 WeakPolarHBondContact O-CB 3.34Å; A381-C384 PolarHBondContact O-N 2.71Å; A381-T385 WeakPolarHBondContact O-CG2 3.44Å; A381-T385 PolarHBondContact O-N 2.95Å; A381-T385 VanDerWaalsContact O-N 3.13Å; A381-F411 HydrophobicContact CB-CD1 4.48Å; A381-F411 HydrophobicContact CB-CE1 3.73Å; A381-F411 HydrophobicContact CB-CZ 4.07Å; A381-L412 HydrophobicContact CB-CD2 3.92Å; A381-L412 VanDerWaalsContact O-CD2 3.29Å; A381-L412 WeakPolarHBondContact O-CD2 3.45Å; A381-I415 HydrophobicContact CB-CB 4.31Å; A381-I415 HydrophobicContact CB-CG1 4.16Å; A381-I415 HydrophobicContact CB-CG2 3.89Å
382E97.3Very high96.6Very high48 Ų4833.5 Ų33.522%0.22417%0.165CC..Hα-helixtrans-55.1-47.4172.2-73.2176.2-168.300110.8I30 I378 K379 C384 T385I30-E382 HydrophobicContact CD1-CG 4.29Å; I378-E382 PolarHBondContact O-N 3.4Å; K379-E382 VanDerWaalsContact CD-OE2 3.29Å; K379-E382 WeakPolarHBondContact CD-OE2 3.47Å; K379-E382 IonicContact NZ-OE1 3.47Å; K379-E382 PolarHBondContact NZ-OE1 3.25Å; K379-E382 IonicContact NZ-OE2 2.71Å; K379-E382 PolarHBondContact NZ-OE2 3.37Å; K379-E382 PolarHBondContact O-N 2.71Å; E382-C384 VanDerWaalsContact C-N 3.31Å; E382-C384 PolarHBondContact O-N 2.86Å; E382-T385 WeakPolarHBondContact O-CB 3.3Å; E382-T385 PolarHBondContact O-N 3.13Å; E382-T385 VanDerWaalsContact O-N 3.11Å; E382-T385 PolarHBondContact O-OG1 2.98Å
383W97.8Very high96.2Very high28 Ų2837.7 Ų37.711%0.10618%0.179CC..Hα-helixtrans-56.9-42.9173.8-179.5-89.7000112.6F10 P13 F14 L343 S354 K379 F380 A381 T385 D386 N390F10-W383 HydrophobicContact CB-CH2 4.01Å; F10-W383 HydrophobicContact CB-CZ2 4.17Å; F10-W383 HydrophobicContact CD1-CH2 4.49Å; F10-W383 HydrophobicContact CD2-CH2 4.02Å; F10-W383 AromaticContact CD2-CZ2 3.42Å; F10-W383 HydrophobicContact CD2-CZ2 3.42Å; F10-W383 VanDerWaalsContact CD2-CZ2 3.42Å; F10-W383 AromaticContact CE2-CZ2 3.86Å; F10-W383 HydrophobicContact CE2-CZ2 3.86Å; F10-W383 AromaticContact CG-CH2 3.94Å; F10-W383 HydrophobicContact CG-CH2 3.94Å; F10-W383 AromaticContact CG-CZ2 3.84Å; F10-W383 HydrophobicContact CG-CZ2 3.84Å; P13-W383 HydrophobicContact CG-CE3 4.28Å; P13-W383 HydrophobicContact CG-CZ3 3.95Å; F14-W383 HydrophobicContact CE2-CB 4Å; F14-W383 HydrophobicContact CE2-CE3 4.06Å; F14-W383 HydrophobicContact CZ-CB 4.08Å; F14-W383 HydrophobicContact CZ-CE3 4.12Å; L343-W383 HydrophobicContact CB-CZ2 4.38Å; L343-W383 HydrophobicContact CD1-CD2 3.89Å; L343-W383 HydrophobicContact CD1-CE3 3.79Å; L343-W383 HydrophobicContact CD1-CG 4.42Å; L343-W383 HydrophobicContact CD1-CZ3 4.13Å; L343-W383 HydrophobicContact CD2-CB 4.11Å; L343-W383 HydrophobicContact CD2-CD2 3.98Å; L343-W383 HydrophobicContact CD2-CG 3.71Å; L343-W383 HydrophobicContact CG-CD2 4.38Å; S354-W383 PolarHBondContact OG-NE1 2.64Å; K379-W383 PolarHBondContact O-N 3.12Å; F380-W383 WeakPolarHBondContact O-CB 3.43Å; F380-W383 PolarHBondContact O-N 3.41Å; A381-W383 VanDerWaalsContact C-N 3.32Å; A381-W383 PolarHBondContact O-N 3Å; W383-T385 PolarHBondContact O-N 3.26Å; W383-D386 PolarHBondContact O-N 3.32Å; W383-N390 HydrophobicContact CD2-CB 4.23Å; W383-N390 HydrophobicContact CH2-CB 4.47Å; W383-N390 HydrophobicContact CZ2-CB 3.66Å; W383-N390 PolarHBondContact O-ND2 3.43Å
384C98.1Very high95.9Very high0 Ų042.9 Ų42.90%021%0.212CC..Hα-helixtrans-68.4-17179.8-70.80000113.6C348 F380 A381 E382 D386 C387 T408 L412C348-C384 HydrophobicContact CB-CB 4.34Å; F380-C384 WeakPolarHBondContact O-CB 3.3Å; F380-C384 PolarHBondContact O-N 2.96Å; F380-C384 PolarHBondContact O-SG 3.36Å; A381-C384 WeakPolarHBondContact O-CB 3.34Å; A381-C384 PolarHBondContact O-N 2.71Å; E382-C384 VanDerWaalsContact C-N 3.31Å; E382-C384 PolarHBondContact O-N 2.86Å; C384-D386 PolarHBondContact O-N 3.42Å; C384-C387 VanDerWaalsContact O-CB 3.3Å; C384-C387 WeakPolarHBondContact O-CB 3.41Å; C384-C387 PolarHBondContact O-N 3.26Å; C384-T408 HydrophobicContact CB-CG2 3.8Å; C384-L412 HydrophobicContact CB-CD2 3.93Å; C384-L412 HydrophobicContact CB-CG 4.45Å
385T97.4Very high95.7Very high10 Ų1043.5 Ų43.56%0.06122%0.219CC..THydrogen-bonded Turntrans-66.2-24.1176.867.80000113.6I30 K33 A381 E382 W383 L412I30-T385 HydrophobicContact CB-CG2 4.42Å; I30-T385 HydrophobicContact CG1-CG2 3.81Å; K33-T385 HydrophobicContact CB-CG2 3.77Å; K33-T385 HydrophobicContact CG-CG2 4.03Å; A381-T385 WeakPolarHBondContact O-CG2 3.44Å; A381-T385 PolarHBondContact O-N 2.95Å; A381-T385 VanDerWaalsContact O-N 3.13Å; E382-T385 WeakPolarHBondContact O-CB 3.3Å; E382-T385 PolarHBondContact O-N 3.13Å; E382-T385 VanDerWaalsContact O-N 3.11Å; E382-T385 PolarHBondContact O-OG1 2.98Å; W383-T385 PolarHBondContact O-N 3.26Å; T385-L412 HydrophobicContact CG2-CD2 4.36Å
386D96.3Very high95.5Very high59 Ų5949.1 Ų49.132%0.31625%0.25SC..THydrogen-bonded Turntrans-106.435.2174.4-81.5-54.6000111.3W383 C384 F388 K389 N390W383-D386 PolarHBondContact O-N 3.32Å; C384-D386 PolarHBondContact O-N 3.42Å; D386-F388 PolarHBondContact O-N 3.43Å; D386-K389 HydrophobicContact CB-CB 4.45Å; D386-K389 HydrophobicContact CB-CD 4.45Å; D386-K389 PolarHBondContact O-N 3.03Å; D386-K389 IonicContact OD1-NZ 2.58Å; D386-N390 WeakPolarHBondContact O-CB 3.45Å; D386-N390 PolarHBondContact O-N 3.23Å
387C95.9Very high95.3Very high11 Ų1151 Ų517%0.07426%0.263CS..THydrogen-bonded Turntrans-52.8-28.2-170.561.10000116.1C348 C384 T408C348-C387 HydrophobicContact CB-CB 3.67Å; C384-C387 VanDerWaalsContact O-CB 3.3Å; C384-C387 WeakPolarHBondContact O-CB 3.41Å; C384-C387 PolarHBondContact O-N 3.26Å; C387-T408 HydrophobicContact CB-CG2 4Å
388F93.7Very high95.2Very high119 Ų11953.1 Ų53.152%0.52228%0.276SS..THydrogen-bonded Turntrans-77.3-26.6177-62.6-64.4000113.6L37 V40 D386 L405L37-F388 HydrophobicContact CD2-CD2 4.21Å; L37-F388 HydrophobicContact CD2-CE2 3.68Å; V40-F388 HydrophobicContact CG1-CE2 4.11Å; V40-F388 HydrophobicContact CG1-CZ 3.78Å; V40-F388 HydrophobicContact CG2-CE2 4.47Å; D386-F388 PolarHBondContact O-N 3.43Å; F388-L405 HydrophobicContact CZ-CD1 4.29Å; F388-L405 HydrophobicContact CZ-CD2 4.03Å
389K94.5Very high95.2Very high161 Ų16155.3 Ų55.370%0.728%0.284SS*.THydrogen-bonded Turntrans-86.8-34.1173.6-62.8176.6-176.3163.70111D386 A391D386-K389 HydrophobicContact CB-CB 4.45Å; D386-K389 HydrophobicContact CB-CD 4.45Å; D386-K389 PolarHBondContact O-N 3.03Å; D386-K389 IonicContact OD1-NZ 2.58Å; K389-A391 PolarHBondContact O-N 3.41Å; K389-A391 VanDerWaalsContact O-N 3.08Å
390N94Very high95.2Very high31 Ų3153.6 Ų53.617%0.16628%0.277CS..SBendtrans-88.546.2-174.9-69.3-12.9000112.4W383 D386W383-N390 HydrophobicContact CD2-CB 4.23Å; W383-N390 HydrophobicContact CH2-CB 4.47Å; W383-N390 HydrophobicContact CZ2-CB 3.66Å; W383-N390 PolarHBondContact O-ND2 3.43Å; D386-N390 WeakPolarHBondContact O-CB 3.45Å; D386-N390 PolarHBondContact O-N 3.23Å
391A91.7Very high95.2Very high27 Ų2753.6 Ų53.622%0.22328%0.277CS..  trans-150.6145.6177.100000109.8K389K389-A391 PolarHBondContact O-N 3.41Å; K389-A391 VanDerWaalsContact O-N 3.08Å
392T91.4Very high95.2Very high88 Ų8853.6 Ų53.654%0.5428%0.277SS..SBendtrans-88.2-12.6175.260.80000112.9F10 H345F10-T392 HydrophobicContact CE1-CG2 4.33Å; F10-T392 HydrophobicContact CZ-CG2 3.89Å; H345-T392 HydrophobicContact CB-CG2 3.67Å; H345-T392 WeakPolarHBondContact O-CB 3.24Å; H345-T392 PolarHBondContact O-N 2.95Å; H345-T392 PolarHBondContact O-OG1 3.11Å
393R89.8Confident95.2Very high133 Ų13352.9 Ų52.950%0.50227%0.274SS..SBendtrans-154.8157.1179.765.2-172.3-165.216517.7110.7
394V91.1Very high95.2Very high118 Ų11851.8 Ų51.872%0.71527%0.271SS*.  trans-75137168.7-176.50000108.3P398V394-P398 HydrophobicContact CG1-CB 3.81Å; V394-P398 HydrophobicContact CG1-CG 4.33Å
395A93.1Very high95.2Very high24 Ų2452 Ų5220%0.19827%0.273CS..  trans-66.1152.4174.400000111.2C397 P398 E403A395-C397 VanDerWaalsContact C-N 3.27Å; A395-C397 PolarHBondContact O-N 2.96Å; A395-P398 WeakPolarHBondContact O-CD 3.28Å; A395-E403 HydrophobicContact CB-CB 4.14Å
396D94.2Very high95.2Very high135 Ų13551.6 Ų51.672%0.72227%0.27SS*.SBendtrans-61.2-39.5-178-61.2-28000110.9P398D396-P398 WeakPolarHBondContact O-CD 3.37Å
397C95.2Very high95.4Very high40 Ų4048.8 Ų48.827%0.2726%0.255SS..SBendtrans-113.880.7170-62.50000111.1T57 A395 Y399 S400 E403T57-C397 HydrophobicContact CG2-CB 3.86Å; A395-C397 VanDerWaalsContact C-N 3.27Å; A395-C397 PolarHBondContact O-N 2.96Å; C397-Y399 PolarHBondContact O-N 2.93Å; C397-S400 WeakPolarHBondContact O-CB 3.45Å; C397-S400 PolarHBondContact O-N 2.92Å; C397-S400 PolarHBondContact O-OG 3.38Å; C397-E403 PolarHBondContact N-OE2 3.43Å
398P96.1Very high95.5Very high43 Ų4348.4 Ų48.428%0.27925%0.252SS..THydrogen-bonded Turntrans-67.1-13.1-163.725.8-35000115.5V394 A395 D396 G404 L405V394-P398 HydrophobicContact CG1-CB 3.81Å; V394-P398 HydrophobicContact CG1-CG 4.33Å; A395-P398 WeakPolarHBondContact O-CD 3.28Å; D396-P398 WeakPolarHBondContact O-CD 3.37Å; P398-G404 CarbonylContact O-C 3.59Å; P398-G404 VanDerWaalsContact O-CA 3.25Å; P398-G404 WeakPolarHBondContact O-CA 3.26Å; P398-L405 PolarHBondContact O-N 2.95Å
399Y97.4Very high95.7Very high50 Ų5042.8 Ų42.820%0.19623%0.227CC..THydrogen-bonded Turntrans-113.3-0.1-179.8-57.7-62.3000113.3V40 L41 N44 L48 V62 C397 L405 A406V40-Y399 HydrophobicContact CG1-CE1 4.44Å; L41-Y399 HydrophobicContact CD1-CD1 3.99Å; L41-Y399 HydrophobicContact CD1-CG 4.25Å; N44-Y399 HydrophobicContact CB-CD1 4.16Å; N44-Y399 HydrophobicContact CB-CD2 4.02Å; N44-Y399 HydrophobicContact CB-CE1 3.73Å; N44-Y399 HydrophobicContact CB-CE2 3.58Å; N44-Y399 HydrophobicContact CB-CG 4.3Å; N44-Y399 VanDerWaalsContact CB-CZ 3.43Å; N44-Y399 PolarHBondContact ND2-OH 3.42Å; N44-Y399 PolarHBondContact OD1-OH 3.5Å; L48-Y399 HydrophobicContact CD2-CD2 4.35Å; L48-Y399 HydrophobicContact CD2-CG 4.44Å; V62-Y399 WeakPolarHBondContact CG2-O 3.5Å; C397-Y399 PolarHBondContact O-N 2.93Å; Y399-L405 HydrophobicContact CD1-CB 4.36Å; Y399-L405 HydrophobicContact CD1-CD2 4.34Å; Y399-A406 VanDerWaalsContact O-CB 3.3Å; Y399-A406 WeakPolarHBondContact O-CB 3.13Å
400S97.8Very high95.9Very high1 Ų136.2 Ų36.21%0.00720%0.198CC..SBendtrans-70.5168.8-176.4670000114T57 C397 E403 G404 A406 G407T57-S400 VanDerWaalsContact CA-CB 3.48Å; T57-S400 WeakPolarHBondContact O-CB 3.49Å; C397-S400 WeakPolarHBondContact O-CB 3.45Å; C397-S400 PolarHBondContact O-N 2.92Å; C397-S400 PolarHBondContact O-OG 3.38Å; S400-E403 WeakPolarHBondContact OG-CB 3.39Å; S400-E403 PolarHBondContact OG-N 2.96Å; S400-G404 CarbonylContact O-C 3.15Å; S400-G404 VanDerWaalsContact O-CA 3.29Å; S400-G404 WeakPolarHBondContact O-CA 3.33Å; S400-G404 PolarHBondContact O-N 3.18Å; S400-G404 PolarHBondContact OG-N 3.17Å; S400-A406 PolarHBondContact O-N 2.94Å; S400-G407 PolarHBondContact O-N 3.01Å
401L98.5Very high96.1Very high0 Ų034.7 Ų34.70%019%0.19CC..SBendtrans-68.9-48.5175.6-177.866.2000112.2M55 L64 F65 L350 G407 Y410 P424M55-L401 HydrophobicContact CG-CD2 4.24Å; L64-L401 HydrophobicContact CD2-CD2 3.9Å; F65-L401 HydrophobicContact CB-CD1 4.36Å; L350-L401 HydrophobicContact CD1-CD1 4.13Å; L350-L401 HydrophobicContact CD1-CG 4.3Å; L350-L401 WeakPolarHBondContact CD1-O 3.46Å; L401-G407 WeakPolarHBondContact O-CA 3.45Å; L401-G407 PolarHBondContact O-N 2.86Å; L401-Y410 HydrophobicContact CD1-CD2 4.01Å; L401-Y410 HydrophobicContact CD1-CG 4.43Å; L401-P424 HydrophobicContact CD2-CG 4.45Å
402M98.3Very high96.4Very high0 Ų033.4 Ų33.40%018%0.18CC..SBendtrans-89.1-26.4-169.5-64.8-63-67.800113.7Y56 Y112 W304 L350 C351 F423Y56-M402 HydrophobicContact CD1-CB 4.12Å; Y56-M402 HydrophobicContact CD2-CB 3.63Å; Y56-M402 HydrophobicContact CD2-CE 4.36Å; Y56-M402 HydrophobicContact CD2-CG 3.44Å; Y56-M402 VanDerWaalsContact CD2-CG 3.44Å; Y56-M402 HydrophobicContact CE1-CB 4.04Å; Y56-M402 HydrophobicContact CE2-CB 3.55Å; Y56-M402 HydrophobicContact CE2-CE 4.08Å; Y56-M402 HydrophobicContact CE2-CG 3.79Å; Y56-M402 HydrophobicContact CG-CB 3.88Å; Y56-M402 HydrophobicContact CG-CG 3.87Å; Y56-M402 WeakPolarHBondContact O-CB 3.34Å; Y56-M402 PolarHBondContact O-N 3.38Å; Y112-M402 HydrophobicContact CE1-CE 4.34Å; Y112-M402 HydrophobicContact CE1-SD 4.44Å; W304-M402 HydrophobicContact CD2-CE 4.33Å; W304-M402 HydrophobicContact CE3-CE 3.78Å; W304-M402 HydrophobicContact CH2-CE 3.67Å; W304-M402 HydrophobicContact CZ2-CE 4.22Å; W304-M402 HydrophobicContact CZ3-CE 3.42Å; W304-M402 VanDerWaalsContact CZ3-CE 3.42Å; L350-M402 HydrophobicContact CB-CE 4.48Å; L350-M402 HydrophobicContact CB-SD 4.2Å; L350-M402 HydrophobicContact CD1-SD 4.27Å; L350-M402 PolarHBondContact N-O 3.34Å; C351-M402 HydrophobicContact CB-CB 4.24Å; C351-M402 HydrophobicContact CB-CE 4.09Å; C351-M402 WeakPolarHBondContact CB-O 3.25Å; C351-M402 PolarHBondContact N-O 3.04Å; M402-F423 HydrophobicContact CE-CE1 4.02Å; M402-F423 HydrophobicContact CE-CZ 3.77Å; M402-F423 HydrophobicContact SD-CE1 4.47Å; M402-F423 HydrophobicContact SD-CZ 4.39Å
403E97.5Very high96.7Very high33 Ų3329.3 Ų29.315%0.15415%0.154CC..SBendtrans-111.5-27-178.5-54.6-174.4161.800113.4Y56 T57 A395 C397 S400Y56-E403 HydrophobicContact CE1-CG 4.12Å; T57-E403 HydrophobicContact CG2-CG 4.22Å; A395-E403 HydrophobicContact CB-CB 4.14Å; C397-E403 PolarHBondContact N-OE2 3.43Å; S400-E403 WeakPolarHBondContact OG-CB 3.39Å; S400-E403 PolarHBondContact OG-N 2.96Å
404G96.8Very high97Very high5 Ų523 Ų235%0.05213%0.131CC..SBendtrans-114-162.9-163.400000115.5P398 S400 A406 G407 T408P398-G404 CarbonylContact O-C 3.59Å; P398-G404 VanDerWaalsContact O-CA 3.25Å; P398-G404 WeakPolarHBondContact O-CA 3.26Å; S400-G404 CarbonylContact O-C 3.15Å; S400-G404 VanDerWaalsContact O-CA 3.29Å; S400-G404 WeakPolarHBondContact O-CA 3.33Å; S400-G404 PolarHBondContact O-N 3.18Å; S400-G404 PolarHBondContact OG-N 3.17Å; G404-A406 VanDerWaalsContact C-N 3.32Å; G404-A406 PolarHBondContact O-N 2.74Å; G404-G407 PolarHBondContact O-N 3.18Å; G404-G407 VanDerWaalsContact O-N 3.14Å; G404-T408 PolarHBondContact O-N 3.26Å; G404-T408 PolarHBondContact O-OG1 2.86Å
405L98.2Very high97.3Very high5 Ų517.4 Ų17.43%0.02610%0.097CC..Hα-helixtrans-61.1-33.8-173.5-17861.9000114L37 V40 L41 F388 P398 Y399 G407 T408 L409L37-L405 HydrophobicContact CB-CD1 4.21Å; L37-L405 HydrophobicContact CD1-CD1 4.4Å; L37-L405 HydrophobicContact CD2-CD1 4.01Å; L37-L405 HydrophobicContact CG-CD1 4.43Å; V40-L405 HydrophobicContact CB-CD2 4.14Å; V40-L405 HydrophobicContact CG1-CD2 4.01Å; L41-L405 HydrophobicContact CB-CD2 3.87Å; L41-L405 HydrophobicContact CD1-CD2 4.45Å; F388-L405 HydrophobicContact CZ-CD1 4.29Å; F388-L405 HydrophobicContact CZ-CD2 4.03Å; P398-L405 PolarHBondContact O-N 2.95Å; Y399-L405 HydrophobicContact CD1-CB 4.36Å; Y399-L405 HydrophobicContact CD1-CD2 4.34Å; L405-G407 PolarHBondContact O-N 3.1Å; L405-T408 WeakPolarHBondContact O-CB 3.22Å; L405-T408 PolarHBondContact O-N 2.71Å; L405-L409 HydrophobicContact CD1-CD1 4.38Å; L405-L409 HydrophobicContact CD1-CG 4.32Å; L405-L409 HydrophobicContact CD2-CD1 4.48Å; L405-L409 HydrophobicContact CG-CD1 3.96Å; L405-L409 HydrophobicContact CG-CG 4.39Å; L405-L409 WeakPolarHBondContact O-CB 3.44Å; L405-L409 PolarHBondContact O-N 3.28Å
406A98.5Very high97.4Very high0 Ų017.4 Ų17.40%09%0.094CC..Hα-helixtrans-63.5-35.6178.200000111L41 V62 F65 Y399 S400 G404 Y410L41-A406 HydrophobicContact CD2-CB 4.13Å; V62-A406 HydrophobicContact CG1-CB 4.47Å; V62-A406 HydrophobicContact CG2-CB 4.27Å; F65-A406 HydrophobicContact CB-CB 4.11Å; F65-A406 HydrophobicContact CD1-CB 4.26Å; F65-A406 HydrophobicContact CG-CB 4.24Å; Y399-A406 VanDerWaalsContact O-CB 3.3Å; Y399-A406 WeakPolarHBondContact O-CB 3.13Å; S400-A406 PolarHBondContact O-N 2.94Å; G404-A406 VanDerWaalsContact C-N 3.32Å; G404-A406 PolarHBondContact O-N 2.74Å; A406-Y410 WeakPolarHBondContact O-CB 3.3Å; A406-Y410 PolarHBondContact O-N 3Å
407G98.5Very high97.3Very high0 Ų014.2 Ų14.20%08%0.077CC..Hα-helixtrans-65-46.8171.900000113.9S400 L401 G404 L405 L409 Y410 F411S400-G407 PolarHBondContact O-N 3.01Å; L401-G407 WeakPolarHBondContact O-CA 3.45Å; L401-G407 PolarHBondContact O-N 2.86Å; G404-G407 PolarHBondContact O-N 3.18Å; G404-G407 VanDerWaalsContact O-N 3.14Å; L405-G407 PolarHBondContact O-N 3.1Å; G407-L409 VanDerWaalsContact C-N 3.33Å; G407-L409 PolarHBondContact O-N 2.85Å; G407-Y410 WeakPolarHBondContact O-CB 3.4Å; G407-Y410 PolarHBondContact O-N 3.08Å; G407-F411 PolarHBondContact O-N 2.78Å; G407-F411 VanDerWaalsContact O-N 3.12Å
408T98.6Very high97.3Very high4 Ų413.5 Ų13.53%0.0257%0.072CC..Hα-helixtrans-55.2-50.7174.1-48.40000110.6C348 C384 C387 G404 L405 Y410 F411 L412C348-T408 HydrophobicContact CB-CG2 3.91Å; C348-T408 PolarHBondContact O-OG1 3.24Å; C384-T408 HydrophobicContact CB-CG2 3.8Å; C387-T408 HydrophobicContact CB-CG2 4Å; G404-T408 PolarHBondContact O-N 3.26Å; G404-T408 PolarHBondContact O-OG1 2.86Å; L405-T408 WeakPolarHBondContact O-CB 3.22Å; L405-T408 PolarHBondContact O-N 2.71Å; T408-Y410 VanDerWaalsContact C-N 3.32Å; T408-Y410 PolarHBondContact O-N 3.48Å; T408-F411 PolarHBondContact O-N 2.71Å; T408-L412 HydrophobicContact CG2-CD1 4.26Å; T408-L412 WeakPolarHBondContact O-CG 3.49Å; T408-L412 PolarHBondContact O-N 3.2Å
409L98.6Very high97.2Very high0 Ų015.4 Ų15.40%08%0.082CC..Hα-helixtrans-63.8-36178.6-80.5167000112.3I34 L37 L38 L41 F65 L405 G407 F411 L412 V413I34-L409 HydrophobicContact CG2-CD2 4.18Å; L37-L409 HydrophobicContact CB-CD1 4.44Å; L37-L409 HydrophobicContact CB-CD2 3.7Å; L37-L409 HydrophobicContact CB-CG 4.21Å; L38-L409 HydrophobicContact CD2-CD1 4.12Å; L38-L409 HydrophobicContact CG-CD1 4.41Å; L38-L409 HydrophobicContact CG-CD2 4.16Å; L41-L409 HydrophobicContact CB-CD1 4.13Å; L41-L409 HydrophobicContact CD2-CD1 3.81Å; F65-L409 HydrophobicContact CD2-CB 4.2Å; F65-L409 HydrophobicContact CE1-CB 4.15Å; F65-L409 HydrophobicContact CE1-CD1 4.02Å; F65-L409 HydrophobicContact CE2-CB 3.47Å; F65-L409 VanDerWaalsContact CE2-CB 3.47Å; F65-L409 HydrophobicContact CZ-CB 3.44Å; F65-L409 VanDerWaalsContact CZ-CB 3.44Å; F65-L409 HydrophobicContact CZ-CD1 3.93Å; F65-L409 HydrophobicContact CZ-CG 4.19Å; L405-L409 HydrophobicContact CD1-CD1 4.38Å; L405-L409 HydrophobicContact CD1-CG 4.32Å; L405-L409 HydrophobicContact CD2-CD1 4.48Å; L405-L409 HydrophobicContact CG-CD1 3.96Å; L405-L409 HydrophobicContact CG-CG 4.39Å; L405-L409 WeakPolarHBondContact O-CB 3.44Å; L405-L409 PolarHBondContact O-N 3.28Å; G407-L409 VanDerWaalsContact C-N 3.33Å; G407-L409 PolarHBondContact O-N 2.85Å; L409-F411 VanDerWaalsContact C-N 3.3Å; L409-F411 PolarHBondContact O-N 2.97Å; L409-L412 PolarHBondContact O-N 3.48Å; L409-V413 WeakPolarHBondContact O-CB 3.21Å; L409-V413 VanDerWaalsContact O-CG2 3.3Å; L409-V413 WeakPolarHBondContact O-CG2 3.19Å; L409-V413 PolarHBondContact O-N 3.12Å
410Y98.6Very high96.9Very high23 Ų2319.4 Ų19.49%0.0910%0.102CC..Hα-helixtrans-58-44.8174.8-163.1-73.2000110.9F65 F68 F359 L401 A406 G407 T408 G414 K422 P424F65-Y410 HydrophobicContact CB-CD2 4.25Å; F65-Y410 HydrophobicContact CD2-CD2 4.15Å; F65-Y410 HydrophobicContact CD2-CG 4.49Å; F68-Y410 HydrophobicContact CB-CD2 4.18Å; F68-Y410 HydrophobicContact CB-CE2 3.55Å; F68-Y410 HydrophobicContact CD1-CD1 4.21Å; F68-Y410 AromaticContact CD1-CD2 3.76Å; F68-Y410 HydrophobicContact CD1-CD2 3.76Å; F68-Y410 HydrophobicContact CD1-CE1 4.11Å; F68-Y410 AromaticContact CD1-CE2 3.67Å; F68-Y410 HydrophobicContact CD1-CE2 3.67Å; F68-Y410 HydrophobicContact CD1-CG 4.02Å; F68-Y410 AromaticContact CD1-CZ 3.84Å; F68-Y410 HydrophobicContact CD2-CE2 4.32Å; F68-Y410 AromaticContact CD2-CZ 3.99Å; F68-Y410 HydrophobicContact CE1-CD1 4.14Å; F68-Y410 HydrophobicContact CE1-CD2 4.47Å; F68-Y410 HydrophobicContact CE1-CE1 4.09Å; F68-Y410 HydrophobicContact CE1-CE2 4.45Å; F68-Y410 HydrophobicContact CE1-CG 4.31Å; F68-Y410 WeakPolarHBondContact CE1-O 3.4Å; F68-Y410 HydrophobicContact CG-CD2 4.14Å; F68-Y410 HydrophobicContact CG-CE1 4.35Å; F68-Y410 AromaticContact CG-CE2 3.58Å; F68-Y410 HydrophobicContact CG-CE2 3.58Å; F68-Y410 AromaticContact CG-CZ 3.69Å; F68-Y410 HydrophobicContact CZ-CE1 4.34Å; F359-Y410 HydrophobicContact CE2-CD1 4.05Å; F359-Y410 AromaticContact CZ-CD1 3.76Å; F359-Y410 HydrophobicContact CZ-CD1 3.76Å; F359-Y410 HydrophobicContact CZ-CE1 4.13Å; L401-Y410 HydrophobicContact CD1-CD2 4.01Å; L401-Y410 HydrophobicContact CD1-CG 4.43Å; A406-Y410 WeakPolarHBondContact O-CB 3.3Å; A406-Y410 PolarHBondContact O-N 3Å; G407-Y410 WeakPolarHBondContact O-CB 3.4Å; G407-Y410 PolarHBondContact O-N 3.08Å; T408-Y410 VanDerWaalsContact C-N 3.32Å; T408-Y410 PolarHBondContact O-N 3.48Å; Y410-G414 PolarHBondContact O-N 3.33Å; Y410-K422 WeakPolarHBondContact CE1-O 3.23Å; Y410-P424 HydrophobicContact CD1-CG 4.41Å; Y410-P424 HydrophobicContact CE1-CB 4.16Å; Y410-P424 HydrophobicContact CE1-CG 4.31Å; Y410-P424 HydrophobicContact CE2-CB 4.13Å
411F98.4Very high96.8Very high0 Ų019.6 Ų19.60%010%0.104CC..Hα-helixtrans-66.5-46.1174.5176.2-124.3000112.8A355 F359 A377 F380 A381 G407 T408 L409 V413 G414 I415A355-F411 HydrophobicContact CB-CB 3.69Å; A355-F411 HydrophobicContact CB-CD1 3.86Å; A355-F411 HydrophobicContact CB-CG 4.02Å; F359-F411 HydrophobicContact CD1-CD2 4.16Å; F359-F411 HydrophobicContact CD2-CB 3.99Å; F359-F411 AromaticContact CD2-CD2 3.7Å; F359-F411 HydrophobicContact CD2-CD2 3.7Å; F359-F411 HydrophobicContact CD2-CG 4.17Å; F359-F411 HydrophobicContact CE1-CD2 4.16Å; F359-F411 VanDerWaalsContact CE2-CA 3.48Å; F359-F411 HydrophobicContact CE2-CB 3.49Å; F359-F411 VanDerWaalsContact CE2-CB 3.49Å; F359-F411 AromaticContact CE2-CD2 3.73Å; F359-F411 HydrophobicContact CE2-CD2 3.73Å; F359-F411 HydrophobicContact CE2-CG 4.05Å; F359-F411 AromaticContact CG-CD2 3.93Å; F359-F411 HydrophobicContact CG-CD2 3.93Å; F359-F411 HydrophobicContact CG-CE2 4.49Å; F359-F411 HydrophobicContact CZ-CB 4.11Å; F359-F411 AromaticContact CZ-CD2 3.95Å; F359-F411 HydrophobicContact CZ-CD2 3.95Å; A377-F411 WeakPolarHBondContact O-CZ 3.48Å; F380-F411 HydrophobicContact CB-CE1 4.35Å; F380-F411 HydrophobicContact CB-CZ 4.48Å; A381-F411 HydrophobicContact CB-CD1 4.48Å; A381-F411 HydrophobicContact CB-CE1 3.73Å; A381-F411 HydrophobicContact CB-CZ 4.07Å; G407-F411 PolarHBondContact O-N 2.78Å; G407-F411 VanDerWaalsContact O-N 3.12Å; T408-F411 PolarHBondContact O-N 2.71Å; L409-F411 VanDerWaalsContact C-N 3.3Å; L409-F411 PolarHBondContact O-N 2.97Å; F411-V413 VanDerWaalsContact C-N 3.33Å; F411-V413 PolarHBondContact O-N 3.1Å; F411-G414 CarbonylContact O-C 3.51Å; F411-G414 WeakPolarHBondContact O-CA 2.99Å; F411-G414 PolarHBondContact O-N 2.76Å; F411-G414 VanDerWaalsContact O-N 3.1Å; F411-I415 HydrophobicContact CE2-CD1 4.28Å; F411-I415 HydrophobicContact CZ-CD1 4.43Å; F411-I415 PolarHBondContact O-N 2.77Å
412L98Very high96.7Very high0 Ų023.4 Ų23.40%012%0.121CC..Hα-helixtrans-62.9-38.1179.8-66179.2000112.5I30 I34 L37 A381 C384 T385 T408 L409 I415I30-L412 HydrophobicContact CG2-CB 4.48Å; I30-L412 HydrophobicContact CG2-CD2 4.21Å; I34-L412 HydrophobicContact CD1-CB 4Å; I34-L412 WeakPolarHBondContact CD1-O 3.27Å; I34-L412 HydrophobicContact CG1-CB 3.7Å; I34-L412 HydrophobicContact CG1-CD1 4.35Å; L37-L412 HydrophobicContact CD1-CD1 3.69Å; A381-L412 HydrophobicContact CB-CD2 3.92Å; A381-L412 VanDerWaalsContact O-CD2 3.29Å; A381-L412 WeakPolarHBondContact O-CD2 3.45Å; C384-L412 HydrophobicContact CB-CD2 3.93Å; C384-L412 HydrophobicContact CB-CG 4.45Å; T385-L412 HydrophobicContact CG2-CD2 4.36Å; T408-L412 HydrophobicContact CG2-CD1 4.26Å; T408-L412 WeakPolarHBondContact O-CG 3.49Å; T408-L412 PolarHBondContact O-N 3.2Å; L409-L412 PolarHBondContact O-N 3.48Å; L412-I415 VanDerWaalsContact O-CG2 3.3Å; L412-I415 WeakPolarHBondContact O-CG2 3.23Å
413V97.3Very high96.7Very high1 Ų124 Ų241%0.00612%0.123CC..Hα-helixtrans-70.6-38.4173.4173.20000110.3I34 F65 F68 L69 C72 L77 L409 F411 L416I34-V413 HydrophobicContact CD1-CG2 4.34Å; I34-V413 HydrophobicContact CG2-CG2 4.04Å; F65-V413 HydrophobicContact CE2-CG2 4.22Å; F68-V413 HydrophobicContact CD1-CB 4.46Å; F68-V413 HydrophobicContact CD1-CG1 4.15Å; F68-V413 HydrophobicContact CE1-CB 3.81Å; F68-V413 HydrophobicContact CE1-CG1 3.55Å; F68-V413 HydrophobicContact CZ-CG1 4.14Å; L69-V413 HydrophobicContact CD1-CG1 4.35Å; L69-V413 HydrophobicContact CD1-CG2 3.91Å; C72-V413 HydrophobicContact CB-CG1 4.19Å; L77-V413 HydrophobicContact CD1-CG1 4.11Å; L77-V413 HydrophobicContact CD1-CG2 4.28Å; L409-V413 WeakPolarHBondContact O-CB 3.21Å; L409-V413 VanDerWaalsContact O-CG2 3.3Å; L409-V413 WeakPolarHBondContact O-CG2 3.19Å; L409-V413 PolarHBondContact O-N 3.12Å; F411-V413 VanDerWaalsContact C-N 3.33Å; F411-V413 PolarHBondContact O-N 3.1Å; V413-L416 WeakPolarHBondContact O-CB 3.42Å; V413-L416 PolarHBondContact O-N 2.72Å
414G96.5Very high96.7Very high2 Ų222.6 Ų22.62%0.02112%0.117CC..Hα-helixtrans-60-44.2175.900000113.1Y410 F411 L416 D417 A421Y410-G414 PolarHBondContact O-N 3.33Å; F411-G414 CarbonylContact O-C 3.51Å; F411-G414 WeakPolarHBondContact O-CA 2.99Å; F411-G414 PolarHBondContact O-N 2.76Å; F411-G414 VanDerWaalsContact O-N 3.1Å; G414-L416 PolarHBondContact O-N 2.65Å; G414-D417 CarbonylContact O-C 3.45Å; G414-D417 VanDerWaalsContact O-C 3.23Å; G414-D417 PolarHBondContact O-N 2.95Å; G414-A421 VanDerWaalsContact O-CB 3.26Å; G414-A421 WeakPolarHBondContact O-CB 3.08Å
415I96.2Very high96.6Very high0 Ų022.9 Ų22.90%012%0.117CC..THydrogen-bonded Turntrans-63.8-17.3-178-153.765000112.8V25 I30 L362 A377 I378 A381 F411 L412 D417 P418V25-I415 HydrophobicContact CG1-CG2 4.01Å; V25-I415 HydrophobicContact CG2-CG1 4.16Å; V25-I415 WeakPolarHBondContact CG2-O 3.31Å; I30-I415 HydrophobicContact CD1-CG2 4.35Å; I30-I415 HydrophobicContact CG2-CG2 4.19Å; L362-I415 HydrophobicContact CD1-CD1 4.03Å; L362-I415 HydrophobicContact CD2-CD1 4.08Å; A377-I415 HydrophobicContact CB-CD1 3.95Å; I378-I415 HydrophobicContact CG1-CD1 4.49Å; I378-I415 HydrophobicContact CG1-CG1 4.24Å; A381-I415 HydrophobicContact CB-CB 4.31Å; A381-I415 HydrophobicContact CB-CG1 4.16Å; A381-I415 HydrophobicContact CB-CG2 3.89Å; F411-I415 HydrophobicContact CE2-CD1 4.28Å; F411-I415 HydrophobicContact CZ-CD1 4.43Å; F411-I415 PolarHBondContact O-N 2.77Å; L412-I415 VanDerWaalsContact O-CG2 3.3Å; L412-I415 WeakPolarHBondContact O-CG2 3.23Å; I415-D417 PolarHBondContact O-N 3.35Å; I415-P418 WeakPolarHBondContact O-CD 3.45Å
416L95.2Very high96.2Very high23 Ų2322.9 Ų22.912%0.1212%0.117CC..THydrogen-bonded Turntrans-66.2-22.7171.9-55.3-177.8000112.9V25 I30 P31 I34 C74 L76 L77 V413 G414V25-L416 HydrophobicContact CG1-CD2 3.68Å; I30-L416 HydrophobicContact CG2-CD2 4.42Å; P31-L416 HydrophobicContact CG-CD2 4.17Å; I34-L416 HydrophobicContact CD1-CD1 3.86Å; I34-L416 HydrophobicContact CD1-CD2 4.17Å; I34-L416 HydrophobicContact CD1-CG 4.12Å; C74-L416 HydrophobicContact CB-CB 4.21Å; C74-L416 HydrophobicContact CB-CD1 4.32Å; L76-L416 HydrophobicContact CD1-CD2 4.41Å; L77-L416 HydrophobicContact CD1-CD1 3.79Å; L77-L416 HydrophobicContact CD2-CD1 4.23Å; L77-L416 HydrophobicContact CG-CD1 3.8Å; V413-L416 WeakPolarHBondContact O-CB 3.42Å; V413-L416 PolarHBondContact O-N 2.72Å; G414-L416 PolarHBondContact O-N 2.65Å
417D94Very high95.4Very high69 Ų6923 Ų2337%0.36912%0.119SC..SBendtrans-13173.3172.8-175.82.9000109.8G414 I415 V419 H420 A421G414-D417 CarbonylContact O-C 3.45Å; G414-D417 VanDerWaalsContact O-C 3.23Å; G414-D417 PolarHBondContact O-N 2.95Å; I415-D417 PolarHBondContact O-N 3.35Å; D417-V419 PolarHBondContact O-N 3.41Å; D417-H420 VanDerWaalsContact CG-ND1 3.29Å; D417-H420 PolarHBondContact O-N 2.91Å; D417-H420 VanDerWaalsContact O-N 3.17Å; D417-H420 IonicContact OD1-CE1 3.68Å; D417-H420 IonicContact OD1-CG 3.78Å; D417-H420 IonicContact OD1-ND1 3.89Å; D417-H420 PolarHBondContact OD1-ND1 3.18Å; D417-H420 IonicContact OD2-CG 2.58Å; D417-H420 IonicContact OD2-ND1 2.75Å; D417-H420 PolarHBondContact OD2-ND1 3.03Å; D417-A421 WeakPolarHBondContact O-CB 3.07Å; D417-A421 PolarHBondContact O-N 3.21Å
418P94.2Very high93.6Very high25 Ų2523.1 Ų23.116%0.16212%0.12CC..THydrogen-bonded Turntrans-64.5-18.2-170.326.2-33.6000113.3L362 Y365 Q366 L374 I415L362-P418 HydrophobicContact CD1-CB 3.67Å; Y365-P418 HydrophobicContact CE1-CB 4.37Å; Q366-P418 PolarHBondContact NE2-O 2.83Å; L374-P418 HydrophobicContact CD1-CB 3.59Å; L374-P418 HydrophobicContact CD1-CG 4.02Å; I415-P418 WeakPolarHBondContact O-CD 3.45Å
419V93.3Very high92.5Very high83 Ų8324.6 Ų24.650%0.50313%0.127SC..THydrogen-bonded Turntrans-74.9-36.8179.3177.80000111.4D417D417-V419 PolarHBondContact O-N 3.41Å
420H92.7Very high92.2Very high133 Ų13325.9 Ų25.962%0.61613%0.133SC*.THydrogen-bonded Turntrans-109.2-10.3-173.4-54.199.9000114.2D417D417-H420 VanDerWaalsContact CG-ND1 3.29Å; D417-H420 PolarHBondContact O-N 2.91Å; D417-H420 VanDerWaalsContact O-N 3.17Å; D417-H420 IonicContact OD1-CE1 3.68Å; D417-H420 IonicContact OD1-CG 3.78Å; D417-H420 IonicContact OD1-ND1 3.89Å; D417-H420 PolarHBondContact OD1-ND1 3.18Å; D417-H420 IonicContact OD2-CG 2.58Å; D417-H420 IonicContact OD2-ND1 2.75Å; D417-H420 PolarHBondContact OD2-ND1 3.03Å
421A95Very high91.9Very high5 Ų526 Ų264%0.04114%0.136CC..  trans-62.8136.5-179.800000112.4F359 L362 Q366 G414 D417F359-A421 HydrophobicContact CE1-CB 4.28Å; L362-A421 HydrophobicContact CD2-CB 3.72Å; Q366-A421 PolarHBondContact NE2-O 2.81Å; G414-A421 VanDerWaalsContact O-CB 3.26Å; G414-A421 WeakPolarHBondContact O-CB 3.08Å; D417-A421 WeakPolarHBondContact O-CB 3.07Å; D417-A421 PolarHBondContact O-N 3.21Å
422K96.4Very high91.5Very high81 Ų8127.4 Ų27.435%0.35214%0.143SC..  trans-135.3144.5-179.6-73.5178.1170.7-176.70109.8E177 F359 Y410E177-K422 IonicContact OE1-NZ 3.6Å; E177-K422 PolarHBondContact OE1-NZ 2.92Å; F359-K422 VanDerWaalsContact CE1-C 3.47Å; F359-K422 WeakPolarHBondContact CE1-O 3.44Å; Y410-K422 WeakPolarHBondContact CE1-O 3.23Å
423F97.8Very high91.1Very high12 Ų1229.1 Ų29.15%0.05315%0.152CC..  trans-55.8134.2165.1-169.3-81.1000109W304 L350 F359 M402 L425W304-F423 HydrophobicContact CB-CE2 4.38Å; W304-F423 HydrophobicContact CB-CZ 4.41Å; W304-F423 AromaticContact CD1-CE2 3.91Å; W304-F423 AromaticContact CD1-CZ 3.7Å; W304-F423 HydrophobicContact CD2-CE1 4.16Å; W304-F423 AromaticContact CD2-CZ 3.76Å; W304-F423 HydrophobicContact CD2-CZ 3.76Å; W304-F423 AromaticContact CE2-CE1 3.65Å; W304-F423 AromaticContact CE2-CZ 3.75Å; W304-F423 HydrophobicContact CE3-CZ 4.46Å; W304-F423 HydrophobicContact CG-CE1 4.36Å; W304-F423 HydrophobicContact CG-CE2 4.04Å; W304-F423 AromaticContact CG-CZ 3.73Å; W304-F423 HydrophobicContact CG-CZ 3.73Å; W304-F423 AromaticContact CZ2-CE1 4Å; W304-F423 HydrophobicContact CZ2-CE1 4Å; W304-F423 HydrophobicContact CZ2-CZ 4.4Å; W304-F423 AromaticContact NE1-CE1 3.55Å; W304-F423 AromaticContact NE1-CZ 3.7Å; L350-F423 HydrophobicContact CB-CE2 3.85Å; L350-F423 HydrophobicContact CB-CZ 3.88Å; L350-F423 HydrophobicContact CD2-CE2 4.16Å; L350-F423 HydrophobicContact CG-CE2 4.45Å; F359-F423 HydrophobicContact CB-CB 4.33Å; F359-F423 HydrophobicContact CB-CD2 3.97Å; F359-F423 HydrophobicContact CD1-CB 4.48Å; F359-F423 AromaticContact CD2-CD2 3.97Å; F359-F423 HydrophobicContact CD2-CD2 3.97Å; F359-F423 HydrophobicContact CG-CB 4.24Å; F359-F423 HydrophobicContact CG-CD2 4.15Å; M402-F423 HydrophobicContact CE-CE1 4.02Å; M402-F423 HydrophobicContact CE-CZ 3.77Å; M402-F423 HydrophobicContact SD-CE1 4.47Å; M402-F423 HydrophobicContact SD-CZ 4.39Å; F423-L425 PolarHBondContact O-N 3.39Å
424P97Very high90.7Very high3 Ų330.8 Ų30.82%0.01916%0.161CC..SBendtrans-64.1137.8-174.125.2-33.7000111.5L64 L350 L401 Y410 L426L64-P424 HydrophobicContact CD2-CB 4.3Å; L350-P424 HydrophobicContact CD1-CG 3.52Å; L401-P424 HydrophobicContact CD2-CG 4.45Å; Y410-P424 HydrophobicContact CD1-CG 4.41Å; Y410-P424 HydrophobicContact CE1-CB 4.16Å; Y410-P424 HydrophobicContact CE1-CG 4.31Å; Y410-P424 HydrophobicContact CE2-CB 4.13Å; P424-L426 PolarHBondContact O-N 3.41Å
425L95.9Very high90.4Very high11 Ų1132.7 Ų32.76%0.05817%0.17CC..SBendtrans66.3-40.8176.1-54.5167.7000116.5M55 L64 V111 Y112 T174 F423M55-L425 HydrophobicContact CG-CD1 4.01Å; L64-L425 HydrophobicContact CD2-CD2 4.36Å; L64-L425 HydrophobicContact CD2-CG 4.27Å; V111-L425 HydrophobicContact CG1-CD1 3.81Å; V111-L425 HydrophobicContact CG1-CD2 4.21Å; V111-L425 HydrophobicContact CG1-CG 4.45Å; V111-L425 HydrophobicContact CG2-CD1 4.49Å; V111-L425 HydrophobicContact CG2-CD2 4.1Å; Y112-L425 HydrophobicContact CD1-CD1 3.89Å; Y112-L425 HydrophobicContact CE1-CB 4.26Å; Y112-L425 HydrophobicContact CE1-CD1 3.53Å; Y112-L425 HydrophobicContact CE2-CB 4.44Å; Y112-L425 HydrophobicContact CE2-CD1 4.31Å; Y112-L425 HydrophobicContact CG-CD1 4.43Å; Y112-L425 WeakPolarHBondContact OH-CB 3.45Å; T174-L425 HydrophobicContact CG2-CD2 4.32Å; F423-L425 PolarHBondContact O-N 3.39Å
426L89.8Confident89.9Confident5 Ų535.1 Ų35.13%0.02618%0.182CC..  trans-132.874-177.8-174.262.6000111.7Y112 A161 A240 T249 T250 W304 P424Y112-L426 VanDerWaalsContact OH-CB 3.27Å; Y112-L426 WeakPolarHBondContact OH-CB 3.37Å; A161-L426 HydrophobicContact CB-CD2 4.41Å; A240-L426 HydrophobicContact CB-CD2 4.2Å; T249-L426 HydrophobicContact CG2-CD1 4.11Å; T250-L426 VanDerWaalsContact OG1-CD1 3.24Å; T250-L426 WeakPolarHBondContact OG1-CD1 3.46Å; W304-L426 HydrophobicContact CZ2-CB 4.48Å; W304-L426 HydrophobicContact CZ2-CD2 3.98Å; P424-L426 PolarHBondContact O-N 3.41Å
427S80.8Confident89.5Confident4 Ų436 Ų363%0.02819%0.187CC..  trans-96162.5161.570.80000110.5K253K253-S427 WeakPolarHBondContact CD-O 3.43Å; K253-S427 WeakPolarHBondContact CE-O 3.3Å; K253-S427 PolarHBondContact NZ-O 2.86Å; K253-S427 VanDerWaalsContact NZ-O 3.14Å; K253-S427 PolarHBondContact NZ-OG 3.41Å
428G61.4Low89.2Confident2 Ų233.3 Ų33.32%0.02117%0.172CC..  trans-68-168.1168.300000114.1S317 E363S317-G428 VanDerWaalsContact OG-CA 3.28Å; S317-G428 WeakPolarHBondContact OG-CA 3.35Å; E363-G428 WeakPolarHBondContact OE1-CA 3.34Å; E363-G428 PolarHBondContact OE1-N 3.29Å; E363-G428 VanDerWaalsContact OE1-N 3.11Å; E363-G428 PolarHBondContact OE2-N 2.63Å
429L75.5Confident88.7Confident35 Ų3534 Ų3418%0.18317%0.173CC..  trans-65.90-171.9-76.9-179.3000116.6K253 R256 S317 K320 I321K253-L429 HydrophobicContact CB-CD2 4.29Å; K253-L429 HydrophobicContact CG-CD2 4.01Å; R256-L429 HydrophobicContact CB-CD2 3.81Å; R256-L429 VanDerWaalsContact CD-CD2 3.49Å; R256-L429 HydrophobicContact CG-CD2 4.3Å; S317-L429 WeakPolarHBondContact O-CD1 3.48Å; S317-L429 PolarHBondContact OG-N 3.21Å; S317-L429 VanDerWaalsContact OG-N 3.14Å; K320-L429 HydrophobicContact CB-CB 4.48Å; K320-L429 HydrophobicContact CB-CD1 4.14Å; K320-L429 HydrophobicContact CD-CB 3.79Å; K320-L429 PolarHBondContact NZ-O 3.38Å; I321-L429 HydrophobicContact CD1-CD1 3.64Å; I321-L429 HydrophobicContact CG1-CD1 3.58Å

Retrieved 429 of 429 residues in 201.4 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).