G4V9G9_SCHMA Loading...

Barrier-to-autointegration factor-like protein

AlphaFold DB , UniProt , Accession G4V9G9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 90 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
1M47.3Very low85Confident244 Ų24490.5 Ų90.5100%1.20247%0.473SS*.  0132.40-69177.6-162.100107.5
2T57.4Low85.9Confident132 Ų13289.9 Ų89.981%0.8148%0.482SS*.PPolyproline II helixtrans-87.2129.1175.91180000107.6
3T76.3Confident86.7Confident62 Ų6290.2 Ų90.238%0.3848%0.479SS..PPolyproline II helixtrans-73.4151.6170.452.40000109.2R8T3-R8 VanDerWaalsContact OG1-CG 3.32Å; T3-R8 WeakPolarHBondContact OG1-CG 3.26Å
4S88.7Confident87.4Confident65 Ų6589.5 Ų89.546%0.45548%0.482SS..PPolyproline II helixtrans-59.6156.8-18073.10000111.5K6 H7 R8S4-K6 PolarHBondContact O-N 3.49Å; S4-H7 WeakPolarHBondContact O-CB 3.38Å; S4-H7 PolarHBondContact O-N 2.94Å; S4-H7 VanDerWaalsContact O-N 3.16Å; S4-H7 WeakPolarHBondContact OG-CB 3.45Å; S4-H7 PolarHBondContact OG-N 3.4Å; S4-R8 PolarHBondContact O-N 2.9Å; S4-R8 VanDerWaalsContact O-N 3.07Å
5Q93Very high88Confident160 Ų16084.7 Ų84.775%0.74846%0.456SS*.Hα-helixtrans-56.8-39.9173.3-68-177.646.200111.3H7 R8 S9Q5-H7 PolarHBondContact O-N 3.09Å; Q5-R8 PolarHBondContact O-N 3.4Å; Q5-S9 WeakPolarHBondContact O-CB 3.28Å; Q5-S9 PolarHBondContact O-N 3.14Å
6K95.2Very high88.5Confident77 Ų7784.6 Ų84.634%0.33546%0.463SS..Hα-helixtrans-59.6-44.2175.9-168.5178.2-174-168.40112.1S4 S9 F10 E21 E22 L23 P24 I26S4-K6 PolarHBondContact O-N 3.49Å; K6-S9 PolarHBondContact O-N 3.23Å; K6-F10 WeakPolarHBondContact O-CB 3.35Å; K6-F10 PolarHBondContact O-N 3.25Å; K6-E21 WeakPolarHBondContact CE-O 3.19Å; K6-E21 PolarHBondContact NZ-O 3.21Å; K6-E22 VanDerWaalsContact CE-O 3.22Å; K6-E22 WeakPolarHBondContact CE-O 3.4Å; K6-L23 VanDerWaalsContact CE-O 3.26Å; K6-L23 WeakPolarHBondContact CE-O 3.38Å; K6-L23 PolarHBondContact NZ-O 2.67Å; K6-P24 HydrophobicContact CG-CG 4.46Å; K6-I26 PolarHBondContact NZ-O 3.22Å
7H96.3Very high89Confident13 Ų1386.1 Ų86.16%0.0647%0.466CS..Hα-helixtrans-59.5-51.5175.4-169.2106.2000111.7S4 Q5 S9 F10 V11 P24 A80 D83S4-H7 WeakPolarHBondContact O-CB 3.38Å; S4-H7 PolarHBondContact O-N 2.94Å; S4-H7 VanDerWaalsContact O-N 3.16Å; S4-H7 WeakPolarHBondContact OG-CB 3.45Å; S4-H7 PolarHBondContact OG-N 3.4Å; Q5-H7 PolarHBondContact O-N 3.09Å; H7-S9 VanDerWaalsContact C-N 3.31Å; H7-S9 PolarHBondContact O-N 2.95Å; H7-F10 PolarHBondContact O-N 3.48Å; H7-F10 VanDerWaalsContact O-N 3.13Å; H7-V11 WeakPolarHBondContact O-CG2 3.12Å; H7-V11 PolarHBondContact O-N 2.89Å; H7-P24 HydrophobicContact CB-CG 4.13Å; H7-A80 VanDerWaalsContact CE1-CA 3.43Å; H7-A80 WeakPolarHBondContact CE1-CA 3.29Å; H7-D83 IonicContact CE1-OD2 2.77Å; H7-D83 PolarHBondContact CE1-OD2 2.89Å; H7-D83 VanDerWaalsContact CE1-OD2 3.31Å; H7-D83 IonicContact NE2-OD2 2.67Å; H7-D83 PolarHBondContact NE2-OD2 3.22Å
8R94.8Very high89.5Confident138 Ų13881.9 Ų81.952%0.52144%0.443SS..Hα-helixtrans-58.9-42.9179.6-71.2-174.5-77.8169.6-1.9112.3T3 S4 Q5 F10 S12T3-R8 VanDerWaalsContact OG1-CG 3.32Å; T3-R8 WeakPolarHBondContact OG1-CG 3.26Å; S4-R8 PolarHBondContact O-N 2.9Å; S4-R8 VanDerWaalsContact O-N 3.07Å; Q5-R8 PolarHBondContact O-N 3.4Å; R8-F10 VanDerWaalsContact C-N 3.34Å; R8-S12 VanDerWaalsContact O-CB 3.28Å; R8-S12 WeakPolarHBondContact O-CB 3.45Å; R8-S12 PolarHBondContact O-N 2.83Å; R8-S12 VanDerWaalsContact O-N 3.16Å; R8-S12 PolarHBondContact O-OG 2.95Å
9S94.2Very high89.9Confident72 Ų7280.5 Ų80.550%0.50344%0.437SS..Hα-helixtrans-65.3-36.9176.8-168.50000112.5Q5 K6 H7 S12Q5-S9 WeakPolarHBondContact O-CB 3.28Å; Q5-S9 PolarHBondContact O-N 3.14Å; K6-S9 PolarHBondContact O-N 3.23Å; H7-S9 VanDerWaalsContact C-N 3.31Å; H7-S9 PolarHBondContact O-N 2.95Å; S9-S12 PolarHBondContact O-OG 3.26Å
10F96Very high90.4Very high4 Ų476.5 Ų76.52%0.01842%0.415CS..Hα-helixtrans-70-41.9-179.9-176.9-96.3000111.7K6 H7 R8 I15 K18 L23 P24 A42 A80 L81 W84K6-F10 WeakPolarHBondContact O-CB 3.35Å; K6-F10 PolarHBondContact O-N 3.25Å; H7-F10 PolarHBondContact O-N 3.48Å; H7-F10 VanDerWaalsContact O-N 3.13Å; R8-F10 VanDerWaalsContact C-N 3.34Å; F10-I15 HydrophobicContact CE2-CG1 4.43Å; F10-I15 HydrophobicContact CZ-CD1 4.03Å; F10-I15 HydrophobicContact CZ-CG1 4.22Å; F10-K18 HydrophobicContact CD2-CD 4.01Å; F10-K18 HydrophobicContact CE2-CD 4.11Å; F10-L23 HydrophobicContact CD2-CD2 4.33Å; F10-L23 HydrophobicContact CE1-CD2 3.94Å; F10-L23 HydrophobicContact CE2-CD2 3.52Å; F10-L23 HydrophobicContact CE2-CG 4.26Å; F10-L23 HydrophobicContact CZ-CD2 3.3Å; F10-L23 HydrophobicContact CZ-CG 4.46Å; F10-P24 HydrophobicContact CB-CG 4.13Å; F10-P24 HydrophobicContact CG-CG 4.46Å; F10-A42 HydrophobicContact CE2-CB 4.07Å; F10-A80 HydrophobicContact CD1-CB 4.14Å; F10-L81 HydrophobicContact CE1-CD2 4.3Å; F10-L81 HydrophobicContact CZ-CD2 4.22Å; F10-W84 HydrophobicContact CD1-CB 4.39Å; F10-W84 HydrophobicContact CE1-CB 3.91Å; F10-W84 HydrophobicContact CE1-CG 4.02Å
11V96.1Very high90.7Very high29 Ų2974.6 Ų74.618%0.17640%0.404CS..Hα-helixtrans-86.2-6.7-175.9-53.60000114.3H7 E13 D83 W84 F88H7-V11 WeakPolarHBondContact O-CG2 3.12Å; H7-V11 PolarHBondContact O-N 2.89Å; V11-E13 VanDerWaalsContact C-N 3.34Å; V11-E13 PolarHBondContact O-N 2.63Å; V11-D83 HydrophobicContact CG1-CB 3.97Å; V11-W84 HydrophobicContact CG1-CB 4.32Å; V11-F88 WeakPolarHBondContact O-CE2 3.28Å
12S95.7Very high93.1Very high83 Ų8366.7 Ų66.758%0.5836%0.364SS*.THydrogen-bonded Turntrans-79.9-10.9-17655.10000114.9R8 S9R8-S12 VanDerWaalsContact O-CB 3.28Å; R8-S12 WeakPolarHBondContact O-CB 3.45Å; R8-S12 PolarHBondContact O-N 2.83Å; R8-S12 VanDerWaalsContact O-N 3.16Å; R8-S12 PolarHBondContact O-OG 2.95Å; S9-S12 PolarHBondContact O-OG 3.26Å
13E96.3Very high95.1Very high94 Ų9460.4 Ų60.444%0.43933%0.326SS..SBendtrans-149.2161.9-174.554.1171.5-147.200111.9V11 K18 W84 F88V11-E13 VanDerWaalsContact C-N 3.34Å; V11-E13 PolarHBondContact O-N 2.63Å; E13-K18 WeakPolarHBondContact OE1-CE 3.35Å; E13-K18 IonicContact OE1-NZ 2.83Å; E13-K18 PolarHBondContact OE1-NZ 3.5Å; E13-W84 PolarHBondContact O-NE1 3.09Å; E13-F88 WeakPolarHBondContact O-CE2 3.46Å
14P96.9Very high96.1Very high80 Ų8057.7 Ų57.752%0.51931%0.309SS..  trans-52.8149.5172.5-26.435.4000112.4S16 K18 F88P14-S16 VanDerWaalsContact C-N 3.29Å; P14-S16 PolarHBondContact O-N 3.1Å; P14-K18 PolarHBondContact O-NZ 2.89Å; P14-F88 HydrophobicContact CG-CD1 4.15Å; P14-F88 HydrophobicContact CG-CE1 3.93Å
15I96.8Very high96.5Very high18 Ų1855.5 Ų55.59%0.09230%0.296CS..  trans-59.3-38.4-170.8-164.2158.8000112.6F10 K18 A42 L46 W84F10-I15 HydrophobicContact CE2-CG1 4.43Å; F10-I15 HydrophobicContact CZ-CD1 4.03Å; F10-I15 HydrophobicContact CZ-CG1 4.22Å; I15-K18 WeakPolarHBondContact O-CD 3.49Å; I15-K18 WeakPolarHBondContact O-CG 3.37Å; I15-K18 PolarHBondContact O-NZ 3.34Å; I15-A42 HydrophobicContact CD1-CB 3.97Å; I15-A42 HydrophobicContact CG1-CB 3.94Å; I15-L46 HydrophobicContact CD1-CB 3.81Å; I15-L46 HydrophobicContact CD1-CD2 3.67Å; I15-L46 HydrophobicContact CD1-CG 4.32Å; I15-L46 HydrophobicContact CG2-CD2 4.35Å; I15-W84 HydrophobicContact CB-CD2 4.48Å; I15-W84 HydrophobicContact CB-CH2 4.05Å; I15-W84 HydrophobicContact CB-CZ2 3.54Å; I15-W84 HydrophobicContact CG2-CH2 3.98Å; I15-W84 HydrophobicContact CG2-CZ2 3.84Å
16S95.1Very high96.8Very high82 Ų8247.9 Ų47.957%0.57326%0.261SS*.THydrogen-bonded Turntrans52-149.7177.6-167.30000112.1P14 K18 Y43P14-S16 VanDerWaalsContact C-N 3.29Å; P14-S16 PolarHBondContact O-N 3.1Å; S16-K18 VanDerWaalsContact C-N 3.29Å; S16-K18 PolarHBondContact O-N 2.91Å; S16-Y43 WeakPolarHBondContact O-CD1 3.5Å
17E97Very high96.9Very high110 Ų11046 Ų4651%0.51426%0.263SS..THydrogen-bonded Turntrans-89.823.4-178.5-73.6-64.7134.700114V19 K41 Y43E17-V19 PolarHBondContact O-N 3.32Å; E17-K41 PolarHBondContact O-NZ 3.16Å; E17-K41 WeakPolarHBondContact OE2-CE 3.22Å; E17-K41 IonicContact OE2-NZ 3.59Å; E17-Y43 WeakPolarHBondContact OE1-CE1 3.37Å
18K98Very high97Very high12 Ų1252.1 Ų52.15%0.05229%0.291CS..  trans-53.7137.7179.7-73.6-178.3-175.469.60111.5F10 E13 P14 I15 S16 E22 K41 A42F10-K18 HydrophobicContact CD2-CD 4.01Å; F10-K18 HydrophobicContact CE2-CD 4.11Å; E13-K18 WeakPolarHBondContact OE1-CE 3.35Å; E13-K18 IonicContact OE1-NZ 2.83Å; E13-K18 PolarHBondContact OE1-NZ 3.5Å; P14-K18 PolarHBondContact O-NZ 2.89Å; I15-K18 WeakPolarHBondContact O-CD 3.49Å; I15-K18 WeakPolarHBondContact O-CG 3.37Å; I15-K18 PolarHBondContact O-NZ 3.34Å; S16-K18 VanDerWaalsContact C-N 3.29Å; S16-K18 PolarHBondContact O-N 2.91Å; K18-E22 WeakPolarHBondContact CA-OE1 3.49Å; K18-E22 HydrophobicContact CB-CB 4.25Å; K18-E22 WeakPolarHBondContact CB-OE1 3.36Å; K18-E22 HydrophobicContact CD-CB 4.44Å; K18-E22 WeakPolarHBondContact CG-OE2 3.08Å; K18-K41 WeakPolarHBondContact O-CA 3.39Å; K18-A42 HydrophobicContact CB-CB 4.03Å; K18-A42 PolarHBondContact O-N 2.84Å
19V98.2Very high97.1Very high54 Ų5452.9 Ų52.933%0.32730%0.299SS..BIsolated β-bridgetrans-72.7156.3175.6-61.90000110.6E17 E21 E22E17-V19 PolarHBondContact O-N 3.32Å; V19-E21 HydrophobicContact CG2-CB 4.44Å; V19-E21 PolarHBondContact O-N 2.94Å; V19-E21 VanDerWaalsContact O-N 3.17Å; V19-E22 HydrophobicContact CG2-CG 3.81Å; V19-E22 PolarHBondContact N-OE1 3.44Å; V19-E22 WeakPolarHBondContact O-CB 3.16Å; V19-E22 PolarHBondContact O-N 3.17Å
20V98.5Very high97.3Very high0 Ų049.9 Ų49.90%028%0.277CS..G310 helixtrans-59.7-30-17672.50000113.2E22 L23 I26 L34 K35 Y39 D40 V45V20-E22 PolarHBondContact O-N 2.9Å; V20-L23 HydrophobicContact CG2-CD1 3.97Å; V20-L23 WeakPolarHBondContact O-CB 3.45Å; V20-L23 PolarHBondContact O-N 2.81Å; V20-L23 VanDerWaalsContact O-N 3.16Å; V20-I26 HydrophobicContact CG2-CG2 4.45Å; V20-L34 HydrophobicContact CG1-CB 4.36Å; V20-L34 HydrophobicContact CG2-CB 4.13Å; V20-L34 HydrophobicContact CG2-CD1 3.55Å; V20-L34 HydrophobicContact CG2-CG 4.43Å; V20-K35 HydrophobicContact CG1-CG 4.17Å; V20-Y39 WeakPolarHBondContact CB-O 3.06Å; V20-Y39 WeakPolarHBondContact CG1-O 3.36Å; V20-Y39 WeakPolarHBondContact CG2-O 3.39Å; V20-D40 PolarHBondContact N-O 2.64Å; V20-V45 HydrophobicContact CG2-CG2 3.67Å
21E98Very high97.4Very high37 Ų3749.7 Ų49.717%0.17328%0.276CS..G310 helixtrans-68.9-10.3175.5-64.683.4176.300113.8K6 V19 L23 G31 K35K6-E21 WeakPolarHBondContact CE-O 3.19Å; K6-E21 PolarHBondContact NZ-O 3.21Å; V19-E21 HydrophobicContact CG2-CB 4.44Å; V19-E21 PolarHBondContact O-N 2.94Å; V19-E21 VanDerWaalsContact O-N 3.17Å; E21-L23 VanDerWaalsContact C-N 3.27Å; E21-G31 WeakPolarHBondContact OE1-CA 3.31Å; E21-K35 WeakPolarHBondContact OE1-CE 3.37Å; E21-K35 IonicContact OE1-NZ 2.63Å; E21-K35 PolarHBondContact OE1-NZ 2.94Å; E21-K35 VanDerWaalsContact OE2-CE 3.26Å; E21-K35 WeakPolarHBondContact OE2-CE 3.31Å; E21-K35 IonicContact OE2-NZ 2.83Å; E21-K35 PolarHBondContact OE2-NZ 3.41Å
22E97.7Very high97.6Very high79 Ų7953.6 Ų53.637%0.36929%0.292SS..G310 helixtrans-78.6-15173.4-66.7179.6-102.900112K6 K18 V19 V20 P24K6-E22 VanDerWaalsContact CE-O 3.22Å; K6-E22 WeakPolarHBondContact CE-O 3.4Å; K18-E22 WeakPolarHBondContact CA-OE1 3.49Å; K18-E22 HydrophobicContact CB-CB 4.25Å; K18-E22 WeakPolarHBondContact CB-OE1 3.36Å; K18-E22 HydrophobicContact CD-CB 4.44Å; K18-E22 WeakPolarHBondContact CG-OE2 3.08Å; V19-E22 HydrophobicContact CG2-CG 3.81Å; V19-E22 PolarHBondContact N-OE1 3.44Å; V19-E22 WeakPolarHBondContact O-CB 3.16Å; V19-E22 PolarHBondContact O-N 3.17Å; V20-E22 PolarHBondContact O-N 2.9Å; E22-P24 WeakPolarHBondContact O-CD 3.5Å
23L98.2Very high97.7Very high0 Ų055.6 Ų55.60%029%0.287CS..SBendtrans-64.7129.8173.5-71.3166.2000110.8K6 F10 V20 E21 I26 A42 V45 L81K6-L23 VanDerWaalsContact CE-O 3.26Å; K6-L23 WeakPolarHBondContact CE-O 3.38Å; K6-L23 PolarHBondContact NZ-O 2.67Å; F10-L23 HydrophobicContact CD2-CD2 4.33Å; F10-L23 HydrophobicContact CE1-CD2 3.94Å; F10-L23 HydrophobicContact CE2-CD2 3.52Å; F10-L23 HydrophobicContact CE2-CG 4.26Å; F10-L23 HydrophobicContact CZ-CD2 3.3Å; F10-L23 HydrophobicContact CZ-CG 4.46Å; V20-L23 HydrophobicContact CG2-CD1 3.97Å; V20-L23 WeakPolarHBondContact O-CB 3.45Å; V20-L23 PolarHBondContact O-N 2.81Å; V20-L23 VanDerWaalsContact O-N 3.16Å; E21-L23 VanDerWaalsContact C-N 3.27Å; L23-I26 HydrophobicContact CB-CB 4.06Å; L23-I26 HydrophobicContact CB-CG1 3.68Å; L23-I26 HydrophobicContact CD1-CG1 4.35Å; L23-I26 PolarHBondContact O-N 2.92Å; L23-A42 HydrophobicContact CD1-CB 4.39Å; L23-A42 HydrophobicContact CD2-CB 4.25Å; L23-A42 HydrophobicContact CG-CB 4.08Å; L23-V45 HydrophobicContact CD1-CB 3.8Å; L23-V45 HydrophobicContact CD1-CG1 3.86Å; L23-V45 HydrophobicContact CD1-CG2 3.98Å; L23-L81 HydrophobicContact CD2-CD2 3.74Å; L23-L81 HydrophobicContact CD2-CG 4.16Å
24P98.1Very high97.8Very high4 Ų451.1 Ų51.13%0.02627%0.266CS..THydrogen-bonded Turntrans-52.4142.7167.8-28.839.3000111.2K6 H7 F10 E22 I26 C77 A80K6-P24 HydrophobicContact CG-CG 4.46Å; H7-P24 HydrophobicContact CB-CG 4.13Å; F10-P24 HydrophobicContact CB-CG 4.13Å; F10-P24 HydrophobicContact CG-CG 4.46Å; E22-P24 WeakPolarHBondContact O-CD 3.5Å; P24-I26 PolarHBondContact O-N 3.42Å; P24-C77 WeakPolarHBondContact O-CA 3.36Å; P24-C77 WeakPolarHBondContact O-CB 3.12Å; P24-C77 PolarHBondContact O-N 2.94Å; P24-A80 HydrophobicContact CB-CB 3.75Å; P24-A80 HydrophobicContact CG-CB 3.4Å; P24-A80 VanDerWaalsContact CG-CB 3.4Å
25G97.6Very high97.9Very high19 Ų1951.5 Ų51.520%0.19626%0.26CS..THydrogen-bonded Turntrans79.3-20.6-173.700000115.6Q73G25-Q73 WeakPolarHBondContact CA-O 3.44Å; G25-Q73 WeakPolarHBondContact O-CB 3.32Å; G25-Q73 WeakPolarHBondContact O-CG 3.15Å
26I98.2Very high98Very high1 Ų155 Ų551%0.00529%0.291CS..  trans-98107.9179.1-50.2-53.8000110.5K6 V20 L23 P24 L30 L34 L63 C77K6-I26 PolarHBondContact NZ-O 3.22Å; V20-I26 HydrophobicContact CG2-CG2 4.45Å; L23-I26 HydrophobicContact CB-CB 4.06Å; L23-I26 HydrophobicContact CB-CG1 3.68Å; L23-I26 HydrophobicContact CD1-CG1 4.35Å; L23-I26 PolarHBondContact O-N 2.92Å; P24-I26 PolarHBondContact O-N 3.42Å; I26-L30 HydrophobicContact CD1-CD1 4.29Å; I26-L30 HydrophobicContact CG2-CB 4.01Å; I26-L34 HydrophobicContact CD1-CD1 4.15Å; I26-L34 HydrophobicContact CG1-CD1 4.39Å; I26-L34 HydrophobicContact CG2-CD1 3.89Å; I26-L63 HydrophobicContact CD1-CD1 4.12Å; I26-L63 HydrophobicContact CD1-CD2 4.01Å; I26-C77 HydrophobicContact CD1-CB 4.35Å
27G97Very high98.1Very high36 Ų3656.5 Ų56.537%0.37129%0.287SS..  trans-95.7177.5169.900000112.2K29 L30 G31G27-K29 PolarHBondContact O-N 2.95Å; G27-L30 PolarHBondContact O-N 3.47Å; G27-G31 PolarHBondContact O-N 2.79Å
28E97.9Very high98.2Very high142 Ų14253.5 Ų53.566%0.66429%0.286SS*.Hα-helixtrans-43.9-56.6-178.8-175.7-179.7-163.800113.5L30 G31 E32E28-L30 VanDerWaalsContact C-N 3.29Å; E28-L30 PolarHBondContact O-N 3.43Å; E28-G31 CarbonylContact O-C 3.58Å; E28-G31 WeakPolarHBondContact O-CA 3.4Å; E28-G31 PolarHBondContact O-N 3.19Å; E28-E32 WeakPolarHBondContact O-CG 3.47Å; E28-E32 PolarHBondContact O-N 2.93Å
29K98.2Very high98.2Very high155 Ų15555 Ų5567%0.67429%0.292SS*.Hα-helixtrans-60-34.9-179-65.9-174.7179.1-1790114.3G27 R33G27-K29 PolarHBondContact O-N 2.95Å; K29-R33 WeakPolarHBondContact O-CD 3.4Å; K29-R33 WeakPolarHBondContact O-CG 3.45Å
30L98.5Very high98.2Very high8 Ų855.9 Ų55.94%0.04230%0.295CS..Hα-helixtrans-76.9-38.6176.5-65.3-173.1000110.5I26 G27 E28 R33 L34 C67 A69 Q73I26-L30 HydrophobicContact CD1-CD1 4.29Å; I26-L30 HydrophobicContact CG2-CB 4.01Å; G27-L30 PolarHBondContact O-N 3.47Å; E28-L30 VanDerWaalsContact C-N 3.29Å; E28-L30 PolarHBondContact O-N 3.43Å; L30-R33 PolarHBondContact O-N 3.38Å; L30-L34 WeakPolarHBondContact O-CB 3.48Å; L30-L34 WeakPolarHBondContact O-CG 3.39Å; L30-L34 PolarHBondContact O-N 3.12Å; L30-C67 HydrophobicContact CD2-CB 4.33Å; L30-C67 WeakPolarHBondContact CD2-O 3.34Å; L30-A69 HydrophobicContact CD1-CB 3.96Å; L30-Q73 HydrophobicContact CD1-CB 4.16Å; L30-Q73 HydrophobicContact CD1-CG 4.23Å
31G98.6Very high98.2Very high0 Ų057.9 Ų57.90%030%0.303CS..Hα-helixtrans-60.4-44.1175.300000112.7E21 G27 E28 R33 L34 K35E21-G31 WeakPolarHBondContact OE1-CA 3.31Å; G27-G31 PolarHBondContact O-N 2.79Å; E28-G31 CarbonylContact O-C 3.58Å; E28-G31 WeakPolarHBondContact O-CA 3.4Å; E28-G31 PolarHBondContact O-N 3.19Å; G31-R33 VanDerWaalsContact C-N 3.33Å; G31-R33 PolarHBondContact O-N 3.28Å; G31-L34 PolarHBondContact O-N 2.89Å; G31-K35 WeakPolarHBondContact O-CB 3.49Å; G31-K35 VanDerWaalsContact O-CG 3.28Å; G31-K35 WeakPolarHBondContact O-CG 3.44Å; G31-K35 PolarHBondContact O-N 3.23Å
32E98.5Very high98.2Very high112 Ų11256.1 Ų56.152%0.52330%0.295SS..Hα-helixtrans-56.8-44.9173.7-72.8176.8165.100112.3E28 K35 A36E28-E32 WeakPolarHBondContact O-CG 3.47Å; E28-E32 PolarHBondContact O-N 2.93Å; E32-K35 PolarHBondContact O-N 3.43Å; E32-A36 WeakPolarHBondContact O-CB 3.4Å; E32-A36 PolarHBondContact O-N 2.91Å
33R98.7Very high98.3Very high125 Ų12556.9 Ų56.947%0.47230%0.295SS..Hα-helixtrans-68.1-36.8178.3-67.2170.2-174.9175.8-0.5112.2K29 L30 G31 K37 C67K29-R33 WeakPolarHBondContact O-CD 3.4Å; K29-R33 WeakPolarHBondContact O-CG 3.45Å; L30-R33 PolarHBondContact O-N 3.38Å; G31-R33 VanDerWaalsContact C-N 3.33Å; G31-R33 PolarHBondContact O-N 3.28Å; R33-K37 PolarHBondContact O-N 2.84Å; R33-C67 HydrophobicContact CB-CB 3.83Å; R33-C67 WeakPolarHBondContact CD-O 3.35Å; R33-C67 PolarHBondContact NH1-O 2.89Å
34L98.7Very high98.3Very high0 Ų058.9 Ų58.90%031%0.307CS..Hα-helixtrans-66.8-47.2174.8-77.9170.5000111V20 I26 L30 G31 A36 K37 G38 Y39 W62 L63 T66 C67V20-L34 HydrophobicContact CG1-CB 4.36Å; V20-L34 HydrophobicContact CG2-CB 4.13Å; V20-L34 HydrophobicContact CG2-CD1 3.55Å; V20-L34 HydrophobicContact CG2-CG 4.43Å; I26-L34 HydrophobicContact CD1-CD1 4.15Å; I26-L34 HydrophobicContact CG1-CD1 4.39Å; I26-L34 HydrophobicContact CG2-CD1 3.89Å; L30-L34 WeakPolarHBondContact O-CB 3.48Å; L30-L34 WeakPolarHBondContact O-CG 3.39Å; L30-L34 PolarHBondContact O-N 3.12Å; G31-L34 PolarHBondContact O-N 2.89Å; L34-A36 VanDerWaalsContact C-N 3.34Å; L34-A36 PolarHBondContact O-N 2.92Å; L34-K37 CarbonylContact O-C 3.42Å; L34-K37 WeakPolarHBondContact O-CA 3.44Å; L34-K37 PolarHBondContact O-N 3.06Å; L34-G38 PolarHBondContact O-N 3.23Å; L34-Y39 CarbonylContact C-O 3.52Å; L34-Y39 HydrophobicContact CD2-CD2 4.34Å; L34-Y39 HydrophobicContact CD2-CG 4.29Å; L34-Y39 WeakPolarHBondContact O-CB 3.48Å; L34-Y39 PolarHBondContact O-N 3.25Å; L34-W62 HydrophobicContact CD2-CH2 4.36Å; L34-L63 HydrophobicContact CD1-CD1 4.28Å; L34-L63 HydrophobicContact CD2-CD1 4.19Å; L34-T66 HydrophobicContact CD2-CG2 3.76Å; L34-C67 HydrophobicContact CD2-CB 4.09Å; L34-C67 HydrophobicContact CG-CB 3.82Å
35K98.5Very high98.3Very high88 Ų8858.8 Ų58.838%0.38331%0.307SS..Hα-helixtrans-55.9-45.7174.2-77.4169.5175170.20112.2V20 E21 G31 E32 K37 G38 D40V20-K35 HydrophobicContact CG1-CG 4.17Å; E21-K35 WeakPolarHBondContact OE1-CE 3.37Å; E21-K35 IonicContact OE1-NZ 2.63Å; E21-K35 PolarHBondContact OE1-NZ 2.94Å; E21-K35 VanDerWaalsContact OE2-CE 3.26Å; E21-K35 WeakPolarHBondContact OE2-CE 3.31Å; E21-K35 IonicContact OE2-NZ 2.83Å; E21-K35 PolarHBondContact OE2-NZ 3.41Å; G31-K35 WeakPolarHBondContact O-CB 3.49Å; G31-K35 VanDerWaalsContact O-CG 3.28Å; G31-K35 WeakPolarHBondContact O-CG 3.44Å; G31-K35 PolarHBondContact O-N 3.23Å; E32-K35 PolarHBondContact O-N 3.43Å; K35-K37 PolarHBondContact O-N 3.35Å; K35-K37 VanDerWaalsContact O-N 3.09Å; K35-G38 PolarHBondContact O-N 3.23Å; K35-D40 HydrophobicContact CG-CB 3.82Å
36A98.3Very high98.4Very high90 Ų9058.4 Ų58.474%0.74430%0.3SS*.THydrogen-bonded Turntrans-60.6-19.6176.300000113.5E32 L34E32-A36 WeakPolarHBondContact O-CB 3.4Å; E32-A36 PolarHBondContact O-N 2.91Å; L34-A36 VanDerWaalsContact C-N 3.34Å; L34-A36 PolarHBondContact O-N 2.92Å
37K98.1Very high98.4Very high114 Ų11460.2 Ų60.250%0.49632%0.319SS..THydrogen-bonded Turntrans-103.18.6176.2-67.6-175.5173.4-171.90113.6R33 L34 K35 Y39 Q65 T66R33-K37 PolarHBondContact O-N 2.84Å; L34-K37 CarbonylContact O-C 3.42Å; L34-K37 WeakPolarHBondContact O-CA 3.44Å; L34-K37 PolarHBondContact O-N 3.06Å; K35-K37 PolarHBondContact O-N 3.35Å; K35-K37 VanDerWaalsContact O-N 3.09Å; K37-Y39 HydrophobicContact CB-CD2 3.94Å; K37-Y39 HydrophobicContact CB-CE2 4.24Å; K37-Q65 PolarHBondContact NZ-O 3.18Å; K37-T66 HydrophobicContact CD-CG2 3.56Å; K37-T66 VanDerWaalsContact CD-O 3.31Å; K37-T66 WeakPolarHBondContact CD-O 3.46Å; K37-T66 WeakPolarHBondContact CE-O 3.41Å; K37-T66 PolarHBondContact NZ-O 2.85Å
38G98.1Very high98.4Very high48 Ų4860 Ų6050%0.49531%0.308SS..THydrogen-bonded Turntrans86.611.317900000115.2L34 K35L34-G38 PolarHBondContact O-N 3.23Å; K35-G38 PolarHBondContact O-N 3.23Å
39Y98.5Very high98.5Very high43 Ų4353.3 Ų53.317%0.16928%0.277CS..  trans-102.964175.8-61-87.4000110.2V20 L34 K37 V44 V45 Q48 W62 T66V20-Y39 WeakPolarHBondContact CB-O 3.06Å; V20-Y39 WeakPolarHBondContact CG1-O 3.36Å; V20-Y39 WeakPolarHBondContact CG2-O 3.39Å; L34-Y39 CarbonylContact C-O 3.52Å; L34-Y39 HydrophobicContact CD2-CD2 4.34Å; L34-Y39 HydrophobicContact CD2-CG 4.29Å; L34-Y39 WeakPolarHBondContact O-CB 3.48Å; L34-Y39 PolarHBondContact O-N 3.25Å; K37-Y39 HydrophobicContact CB-CD2 3.94Å; K37-Y39 HydrophobicContact CB-CE2 4.24Å; Y39-V44 HydrophobicContact CD1-CB 4.33Å; Y39-V44 HydrophobicContact CD1-CG1 3.59Å; Y39-V44 HydrophobicContact CE1-CG1 4.07Å; Y39-V44 HydrophobicContact CG-CG1 4.35Å; Y39-V45 HydrophobicContact CD1-CG2 4.11Å; Y39-V45 HydrophobicContact CG-CG2 4.43Å; Y39-Q48 HydrophobicContact CE1-CB 4.09Å; Y39-Q48 PolarHBondContact OH-OE1 3.22Å; Y39-W62 HydrophobicContact CD1-CH2 4.32Å; Y39-W62 HydrophobicContact CD1-CZ2 4.13Å; Y39-W62 HydrophobicContact CD2-CZ2 4.43Å; Y39-W62 HydrophobicContact CE1-CH2 4.22Å; Y39-W62 AromaticContact CE1-CZ2 3.69Å; Y39-W62 HydrophobicContact CE1-CZ2 3.69Å; Y39-W62 AromaticContact CE2-CZ2 4Å; Y39-W62 HydrophobicContact CE2-CZ2 4Å; Y39-W62 HydrophobicContact CG-CZ2 4.49Å; Y39-W62 AromaticContact CZ-CZ2 3.61Å; Y39-T66 HydrophobicContact CD2-CG2 4.31Å; Y39-T66 HydrophobicContact CE2-CG2 4.2Å
40D98.1Very high98.5Very high72 Ų7249 Ų4939%0.38526%0.261SS..  trans-84.9-24.5-176.568.4-38.7000113.9V20 K35V20-D40 PolarHBondContact N-O 2.64Å; K35-D40 HydrophobicContact CG-CB 3.82Å
41K98.7Very high98.5Very high43 Ų4354.7 Ų54.719%0.18729%0.29CS..BIsolated β-bridgetrans-112.1149.6178.5-59-63.5-163.91650112.8E17 K18 Y43 V44 V45E17-K41 PolarHBondContact O-NZ 3.16Å; E17-K41 WeakPolarHBondContact OE2-CE 3.22Å; E17-K41 IonicContact OE2-NZ 3.59Å; K18-K41 WeakPolarHBondContact O-CA 3.39Å; K41-Y43 VanDerWaalsContact C-N 3.27Å; K41-Y43 HydrophobicContact CB-CD1 3.62Å; K41-Y43 HydrophobicContact CB-CD2 4.48Å; K41-Y43 HydrophobicContact CB-CE1 3.35Å; K41-Y43 HydrophobicContact CB-CE2 4.22Å; K41-Y43 HydrophobicContact CB-CG 4.19Å; K41-Y43 HydrophobicContact CD-CE1 4.31Å; K41-Y43 HydrophobicContact CG-CD1 4.29Å; K41-Y43 HydrophobicContact CG-CE1 3.53Å; K41-Y43 PolarHBondContact O-N 3.47Å; K41-V44 HydrophobicContact CB-CG2 4.07Å; K41-V44 PolarHBondContact O-N 3.04Å; K41-V44 VanDerWaalsContact O-N 3.1Å; K41-V45 PolarHBondContact O-N 2.93Å
42A98.6Very high98.5Very high0 Ų056.3 Ų56.30%030%0.299CS..Hα-helixtrans-60-36.9177.900000112.2F10 I15 K18 L23 V44 V45 L46F10-A42 HydrophobicContact CE2-CB 4.07Å; I15-A42 HydrophobicContact CD1-CB 3.97Å; I15-A42 HydrophobicContact CG1-CB 3.94Å; K18-A42 HydrophobicContact CB-CB 4.03Å; K18-A42 PolarHBondContact O-N 2.84Å; L23-A42 HydrophobicContact CD1-CB 4.39Å; L23-A42 HydrophobicContact CD2-CB 4.25Å; L23-A42 HydrophobicContact CG-CB 4.08Å; A42-V44 VanDerWaalsContact C-N 3.27Å; A42-V44 PolarHBondContact O-N 3.34Å; A42-V45 PolarHBondContact O-N 3.04Å; A42-L46 PolarHBondContact O-N 3.4Å
43Y98.3Very high98.5Very high95 Ų9561.6 Ų61.637%0.37331%0.314SS..Hα-helixtrans-66.6-25.4177.866.7-105.5000113.6S16 E17 K41 L46 G47S16-Y43 WeakPolarHBondContact O-CD1 3.5Å; E17-Y43 WeakPolarHBondContact OE1-CE1 3.37Å; K41-Y43 VanDerWaalsContact C-N 3.27Å; K41-Y43 HydrophobicContact CB-CD1 3.62Å; K41-Y43 HydrophobicContact CB-CD2 4.48Å; K41-Y43 HydrophobicContact CB-CE1 3.35Å; K41-Y43 HydrophobicContact CB-CE2 4.22Å; K41-Y43 HydrophobicContact CB-CG 4.19Å; K41-Y43 HydrophobicContact CD-CE1 4.31Å; K41-Y43 HydrophobicContact CG-CD1 4.29Å; K41-Y43 HydrophobicContact CG-CE1 3.53Å; K41-Y43 PolarHBondContact O-N 3.47Å; Y43-L46 WeakPolarHBondContact O-CB 3.22Å; Y43-L46 PolarHBondContact O-N 3.06Å; Y43-G47 PolarHBondContact O-N 3.42Å
44V98.6Very high98.4Very high42 Ų4257.2 Ų57.226%0.25530%0.302SS..Hα-helixtrans-71-41.9175.9-174.30000109.7Y39 K41 A42 G47 Q48Y39-V44 HydrophobicContact CD1-CB 4.33Å; Y39-V44 HydrophobicContact CD1-CG1 3.59Å; Y39-V44 HydrophobicContact CE1-CG1 4.07Å; Y39-V44 HydrophobicContact CG-CG1 4.35Å; K41-V44 HydrophobicContact CB-CG2 4.07Å; K41-V44 PolarHBondContact O-N 3.04Å; K41-V44 VanDerWaalsContact O-N 3.1Å; A42-V44 VanDerWaalsContact C-N 3.27Å; A42-V44 PolarHBondContact O-N 3.34Å; V44-G47 PolarHBondContact O-N 3.42Å; V44-Q48 PolarHBondContact O-N 2.92Å; V44-Q48 VanDerWaalsContact O-N 3.14Å
45V98.7Very high98.4Very high1 Ų161 Ų611%0.00632%0.32CS..Hα-helixtrans-66.3-38.2173-179.80000111.3V20 L23 Y39 K41 A42 G47 Q48 F49 F59 W62 L81V20-V45 HydrophobicContact CG2-CG2 3.67Å; L23-V45 HydrophobicContact CD1-CB 3.8Å; L23-V45 HydrophobicContact CD1-CG1 3.86Å; L23-V45 HydrophobicContact CD1-CG2 3.98Å; Y39-V45 HydrophobicContact CD1-CG2 4.11Å; Y39-V45 HydrophobicContact CG-CG2 4.43Å; K41-V45 PolarHBondContact O-N 2.93Å; A42-V45 PolarHBondContact O-N 3.04Å; V45-G47 VanDerWaalsContact C-N 3.33Å; V45-G47 PolarHBondContact O-N 3.32Å; V45-Q48 WeakPolarHBondContact O-CB 3.17Å; V45-Q48 PolarHBondContact O-N 3.43Å; V45-F49 PolarHBondContact O-N 3.48Å; V45-F59 HydrophobicContact CG1-CE2 4.14Å; V45-F59 HydrophobicContact CG1-CZ 4.1Å; V45-W62 HydrophobicContact CG1-CH2 4.03Å; V45-W62 HydrophobicContact CG1-CZ3 4.03Å; V45-L81 HydrophobicContact CG1-CD1 4.14Å
46L98.6Very high98.4Very high12 Ų1259.8 Ų59.86%0.06332%0.316CS..Hα-helixtrans-59-44.3171.3173.966.1000111.4I15 A42 Y43 Q48 F49 L50 L81 W84 C85 I89I15-L46 HydrophobicContact CD1-CB 3.81Å; I15-L46 HydrophobicContact CD1-CD2 3.67Å; I15-L46 HydrophobicContact CD1-CG 4.32Å; I15-L46 HydrophobicContact CG2-CD2 4.35Å; A42-L46 PolarHBondContact O-N 3.4Å; Y43-L46 WeakPolarHBondContact O-CB 3.22Å; Y43-L46 PolarHBondContact O-N 3.06Å; L46-Q48 VanDerWaalsContact C-N 3.28Å; L46-Q48 PolarHBondContact O-N 3.02Å; L46-F49 HydrophobicContact CD1-CD1 4.13Å; L46-F49 WeakPolarHBondContact O-CB 3.45Å; L46-F49 PolarHBondContact O-N 2.93Å; L46-F49 VanDerWaalsContact O-N 3.12Å; L46-L50 HydrophobicContact CD1-CD1 4.26Å; L46-L50 HydrophobicContact CD1-CG 4.16Å; L46-L50 HydrophobicContact CG-CD1 4.11Å; L46-L50 HydrophobicContact CG-CG 4.41Å; L46-L50 VanDerWaalsContact O-CG 3.31Å; L46-L50 WeakPolarHBondContact O-CG 3.28Å; L46-L50 PolarHBondContact O-N 3.17Å; L46-L81 HydrophobicContact CB-CD2 4.22Å; L46-L81 HydrophobicContact CD1-CD2 4.15Å; L46-W84 HydrophobicContact CD1-CE3 4.17Å; L46-W84 HydrophobicContact CD1-CZ3 4.12Å; L46-W84 HydrophobicContact CD2-CE3 4.02Å; L46-W84 HydrophobicContact CD2-CH2 3.9Å; L46-W84 HydrophobicContact CD2-CZ3 3.36Å; L46-W84 HydrophobicContact CG-CZ3 4.39Å; L46-C85 VanDerWaalsContact CD1-SG 3.56Å; L46-I89 HydrophobicContact CD2-CD1 4.32Å
47G98.4Very high98.4Very high38 Ų3860.9 Ų60.939%0.39231%0.305SS..Hα-helixtrans-56.3-43.3175.400000112.2Y43 V44 V45 L50 L51Y43-G47 PolarHBondContact O-N 3.42Å; V44-G47 PolarHBondContact O-N 3.42Å; V45-G47 VanDerWaalsContact C-N 3.33Å; V45-G47 PolarHBondContact O-N 3.32Å; G47-L50 PolarHBondContact O-N 2.94Å; G47-L51 WeakPolarHBondContact O-CB 3.41Å; G47-L51 PolarHBondContact O-N 3.13Å
48Q98.7Very high98.4Very high33 Ų3359.6 Ų59.615%0.15430%0.304CS..Hα-helixtrans-64.6-42.8174.1-177.967.131.900112.9Y39 V44 V45 L46 L50 L51 L52 W62Y39-Q48 HydrophobicContact CE1-CB 4.09Å; Y39-Q48 PolarHBondContact OH-OE1 3.22Å; V44-Q48 PolarHBondContact O-N 2.92Å; V44-Q48 VanDerWaalsContact O-N 3.14Å; V45-Q48 WeakPolarHBondContact O-CB 3.17Å; V45-Q48 PolarHBondContact O-N 3.43Å; L46-Q48 VanDerWaalsContact C-N 3.28Å; L46-Q48 PolarHBondContact O-N 3.02Å; Q48-L50 VanDerWaalsContact C-N 3.3Å; Q48-L50 PolarHBondContact O-N 3.47Å; Q48-L51 WeakPolarHBondContact O-CB 3.04Å; Q48-L51 PolarHBondContact O-N 3.21Å; Q48-L52 HydrophobicContact CG-CD1 4.3Å; Q48-L52 WeakPolarHBondContact O-CG 3.49Å; Q48-L52 PolarHBondContact O-N 3.16Å; Q48-W62 HydrophobicContact CB-CH2 4.21Å; Q48-W62 HydrophobicContact CB-CZ2 4.21Å; Q48-W62 HydrophobicContact CG-CD2 3.64Å; Q48-W62 VanDerWaalsContact CG-CE2 3.43Å; Q48-W62 HydrophobicContact CG-CE3 3.93Å; Q48-W62 HydrophobicContact CG-CG 4.29Å; Q48-W62 HydrophobicContact CG-CH2 3.87Å; Q48-W62 HydrophobicContact CG-CZ2 3.59Å; Q48-W62 HydrophobicContact CG-CZ3 4.03Å
49F98.7Very high98.4Very high1 Ų157.3 Ų57.30%0.00428%0.28CS..Hα-helixtrans-57.6-43.9175.8172.2-104000111.8V45 L46 L52 R53 C54 F59 Y78 L81 K82V45-F49 PolarHBondContact O-N 3.48Å; L46-F49 HydrophobicContact CD1-CD1 4.13Å; L46-F49 WeakPolarHBondContact O-CB 3.45Å; L46-F49 PolarHBondContact O-N 2.93Å; L46-F49 VanDerWaalsContact O-N 3.12Å; F49-L52 PolarHBondContact O-N 3.1Å; F49-R53 PolarHBondContact O-N 3.34Å; F49-C54 HydrophobicContact CD1-CB 4.49Å; F49-C54 HydrophobicContact CE1-CB 3.74Å; F49-C54 WeakPolarHBondContact CE1-SG 3.36Å; F49-C54 HydrophobicContact CE2-CB 3.98Å; F49-C54 HydrophobicContact CZ-CB 3.44Å; F49-C54 VanDerWaalsContact CZ-CB 3.44Å; F49-C54 PolarHBondContact O-N 3.35Å; F49-F59 HydrophobicContact CB-CD2 3.91Å; F49-F59 HydrophobicContact CB-CE2 3.78Å; F49-F59 HydrophobicContact CD2-CB 4.33Å; F49-F59 HydrophobicContact CD2-CD1 4.38Å; F49-F59 AromaticContact CD2-CD2 3.69Å; F49-F59 HydrophobicContact CD2-CD2 3.69Å; F49-F59 HydrophobicContact CD2-CE2 4.05Å; F49-F59 AromaticContact CD2-CG 3.86Å; F49-F59 HydrophobicContact CD2-CG 3.86Å; F49-F59 HydrophobicContact CG-CD2 4.31Å; F49-F59 HydrophobicContact CG-CE2 4.4Å; F49-Y78 HydrophobicContact CD2-CD2 4.45Å; F49-Y78 AromaticContact CE2-CD2 3.61Å; F49-Y78 HydrophobicContact CE2-CD2 3.61Å; F49-Y78 AromaticContact CE2-CE2 3.75Å; F49-Y78 HydrophobicContact CE2-CE2 3.75Å; F49-Y78 HydrophobicContact CZ-CD2 4.47Å; F49-Y78 HydrophobicContact CZ-CE2 4.33Å; F49-L81 HydrophobicContact CB-CD1 4Å; F49-L81 HydrophobicContact CD1-CB 4.12Å; F49-L81 HydrophobicContact CD2-CB 4.33Å; F49-L81 HydrophobicContact CD2-CD1 4.28Å; F49-L81 HydrophobicContact CE1-CB 4.15Å; F49-L81 HydrophobicContact CE2-CB 4.38Å; F49-L81 HydrophobicContact CG-CB 4.2Å; F49-L81 HydrophobicContact CG-CD1 4.09Å; F49-L81 HydrophobicContact CZ-CB 4.28Å; F49-K82 HydrophobicContact CZ-CB 4.35Å
50L98.5Very high98.4Very high65 Ų6557.1 Ų57.134%0.3428%0.28SS..Hα-helixtrans-67.9-38.6176.2-63.9173.3000112.2L46 G47 Q48 L52 R53 I89 F90L46-L50 HydrophobicContact CD1-CD1 4.26Å; L46-L50 HydrophobicContact CD1-CG 4.16Å; L46-L50 HydrophobicContact CG-CD1 4.11Å; L46-L50 HydrophobicContact CG-CG 4.41Å; L46-L50 VanDerWaalsContact O-CG 3.31Å; L46-L50 WeakPolarHBondContact O-CG 3.28Å; L46-L50 PolarHBondContact O-N 3.17Å; G47-L50 PolarHBondContact O-N 2.94Å; Q48-L50 VanDerWaalsContact C-N 3.3Å; Q48-L50 PolarHBondContact O-N 3.47Å; L50-L52 VanDerWaalsContact C-N 3.27Å; L50-L52 PolarHBondContact O-N 2.71Å; L50-R53 WeakPolarHBondContact O-CA 3.25Å; L50-R53 PolarHBondContact O-N 3.03Å; L50-I89 HydrophobicContact CD1-CD1 4.11Å; L50-I89 HydrophobicContact CD2-CD1 4.47Å; L50-F90 HydrophobicContact CD2-CZ 4.21Å
51L98.5Very high98.5Very high126 Ų12658.7 Ų58.766%0.6629%0.285SS*.Hα-helixtrans-60.8-37.9175.4-177.466.3000111.9G47 Q48 R53G47-L51 WeakPolarHBondContact O-CB 3.41Å; G47-L51 PolarHBondContact O-N 3.13Å; Q48-L51 WeakPolarHBondContact O-CB 3.04Å; Q48-L51 PolarHBondContact O-N 3.21Å; L51-R53 PolarHBondContact O-N 3.24Å
52L98.5Very high98.5Very high35 Ų3558.1 Ų58.118%0.18328%0.282CS..THydrogen-bonded Turntrans-78.613173.3-62.9175.7000113.1Q48 F49 L50 C54 E55 L58 F59 W62Q48-L52 HydrophobicContact CG-CD1 4.3Å; Q48-L52 WeakPolarHBondContact O-CG 3.49Å; Q48-L52 PolarHBondContact O-N 3.16Å; F49-L52 PolarHBondContact O-N 3.1Å; L50-L52 VanDerWaalsContact C-N 3.27Å; L50-L52 PolarHBondContact O-N 2.71Å; L52-C54 PolarHBondContact O-N 2.83Å; L52-E55 VanDerWaalsContact O-CB 3.32Å; L52-E55 WeakPolarHBondContact O-CB 3.18Å; L52-E55 PolarHBondContact O-N 3.45Å; L52-L58 HydrophobicContact CD2-CB 4.49Å; L52-F59 HydrophobicContact CD1-CB 4.34Å; L52-F59 HydrophobicContact CD1-CD2 4.37Å; L52-W62 HydrophobicContact CD1-CB 3.77Å; L52-W62 HydrophobicContact CD1-CD2 4.45Å; L52-W62 HydrophobicContact CD1-CG 4.03Å
53R97.9Very high98.5Very high222 Ų22258.1 Ų58.184%0.83828%0.282SS*.THydrogen-bonded Turntrans56.631.4178.5-54.9-176.9177-175.3-1.3113.6F49 L50 L51 E55F49-R53 PolarHBondContact O-N 3.34Å; L50-R53 WeakPolarHBondContact O-CA 3.25Å; L50-R53 PolarHBondContact O-N 3.03Å; L51-R53 PolarHBondContact O-N 3.24Å; R53-E55 PolarHBondContact O-N 2.71Å; R53-E55 VanDerWaalsContact O-N 3.07Å
54C97.5Very high98.5Very high33 Ų3356.3 Ų56.322%0.22328%0.283CS..THydrogen-bonded Turntrans57.120.4-176.9-48.40000113.3F49 L52 E56F49-C54 HydrophobicContact CD1-CB 4.49Å; F49-C54 HydrophobicContact CE1-CB 3.74Å; F49-C54 WeakPolarHBondContact CE1-SG 3.36Å; F49-C54 HydrophobicContact CE2-CB 3.98Å; F49-C54 HydrophobicContact CZ-CB 3.44Å; F49-C54 VanDerWaalsContact CZ-CB 3.44Å; F49-C54 PolarHBondContact O-N 3.35Å; L52-C54 PolarHBondContact O-N 2.83Å; C54-E56 PolarHBondContact O-N 3.33Å
55E98.2Very high98.5Very high80 Ų8060.5 Ų60.537%0.37430%0.3SS..  trans-74.2128.6-179.1-155.2-60.9114.600109L52 R53 E57 L58 F59L52-E55 VanDerWaalsContact O-CB 3.32Å; L52-E55 WeakPolarHBondContact O-CB 3.18Å; L52-E55 PolarHBondContact O-N 3.45Å; R53-E55 PolarHBondContact O-N 2.71Å; R53-E55 VanDerWaalsContact O-N 3.07Å; E55-E57 PolarHBondContact OE1-N 3.48Å; E55-E57 PolarHBondContact OE2-N 3.38Å; E55-L58 HydrophobicContact CB-CB 4.22Å; E55-L58 HydrophobicContact CB-CD1 4.03Å; E55-L58 HydrophobicContact CB-CG 4.31Å; E55-L58 HydrophobicContact CG-CD1 4.24Å; E55-L58 HydrophobicContact CG-CG 4.37Å; E55-L58 WeakPolarHBondContact OE2-CG 3.26Å; E55-L58 PolarHBondContact OE2-N 3.01Å; E55-F59 VanDerWaalsContact O-CB 3.26Å; E55-F59 WeakPolarHBondContact O-CB 3.32Å; E55-F59 PolarHBondContact O-N 2.83Å
56E98.5Very high98.5Very high63 Ų6361.2 Ų61.229%0.29430%0.304SS..Hα-helixtrans-68-48.2-165.5-173.7162.416500112.4C54 F59 K60 Y78C54-E56 PolarHBondContact O-N 3.33Å; E56-F59 PolarHBondContact O-N 3.24Å; E56-K60 HydrophobicContact CG-CD 4.18Å; E56-K60 VanDerWaalsContact CG-CE 3.45Å; E56-K60 WeakPolarHBondContact O-CB 3.44Å; E56-K60 VanDerWaalsContact O-CG 3.25Å; E56-K60 WeakPolarHBondContact O-CG 3.35Å; E56-K60 PolarHBondContact O-N 3.48Å; E56-K60 VanDerWaalsContact OE1-CE 3.28Å; E56-K60 WeakPolarHBondContact OE1-CE 3.19Å; E56-K60 IonicContact OE1-NZ 3.31Å; E56-K60 PolarHBondContact OE1-NZ 3.06Å; E56-Y78 VanDerWaalsContact CA-CE2 3.45Å; E56-Y78 HydrophobicContact CB-CD2 4.25Å; E56-Y78 HydrophobicContact CB-CE1 3.99Å; E56-Y78 HydrophobicContact CB-CE2 3.65Å; E56-Y78 VanDerWaalsContact CB-CZ 3.47Å; E56-Y78 WeakPolarHBondContact CB-OH 3.25Å; E56-Y78 HydrophobicContact CG-CD1 3.74Å; E56-Y78 HydrophobicContact CG-CD2 4.06Å; E56-Y78 HydrophobicContact CG-CE1 3.46Å; E56-Y78 VanDerWaalsContact CG-CE1 3.46Å; E56-Y78 HydrophobicContact CG-CE2 3.84Å; E56-Y78 HydrophobicContact CG-CG 4.02Å; E56-Y78 WeakPolarHBondContact OE2-CE1 3.44Å; E56-Y78 VanDerWaalsContact OE2-CZ 3.31Å; E56-Y78 PolarHBondContact OE2-OH 3.43Å
57E98.3Very high98.4Very high112 Ų11260.9 Ų60.952%0.52330%0.303SS..Hα-helixtrans-75.3-39.9-174.1-63.8-55.2124.800110.8E55 F59 K60 E61E55-E57 PolarHBondContact OE1-N 3.48Å; E55-E57 PolarHBondContact OE2-N 3.38Å; E57-F59 VanDerWaalsContact C-N 3.33Å; E57-F59 PolarHBondContact O-N 2.95Å; E57-K60 PolarHBondContact O-N 2.91Å; E57-K60 IonicContact OE1-NZ 2.67Å; E57-K60 PolarHBondContact OE1-NZ 3.4Å; E57-E61 VanDerWaalsContact O-CB 3.25Å; E57-E61 WeakPolarHBondContact O-CB 3.35Å; E57-E61 PolarHBondContact O-N 3.07Å
58L98.6Very high98.4Very high88 Ų8861.2 Ų61.246%0.46131%0.306SS..Hα-helixtrans-59.7-42.8171.9-68.4-179.1000111.8L52 E55 W62L52-L58 HydrophobicContact CD2-CB 4.49Å; E55-L58 HydrophobicContact CB-CB 4.22Å; E55-L58 HydrophobicContact CB-CD1 4.03Å; E55-L58 HydrophobicContact CB-CG 4.31Å; E55-L58 HydrophobicContact CG-CD1 4.24Å; E55-L58 HydrophobicContact CG-CG 4.37Å; E55-L58 WeakPolarHBondContact OE2-CG 3.26Å; E55-L58 PolarHBondContact OE2-N 3.01Å; L58-W62 VanDerWaalsContact O-CB 3.25Å; L58-W62 WeakPolarHBondContact O-CB 3.45Å; L58-W62 PolarHBondContact O-N 3.02Å
59F98.8Very high98.4Very high0 Ų059.8 Ų59.80%030%0.3CS..Hα-helixtrans-67.9-44.4177.8179.4-97.1000112V45 F49 L52 E55 E56 E57 E61 W62 L63 C77 Y78 L81V45-F59 HydrophobicContact CG1-CE2 4.14Å; V45-F59 HydrophobicContact CG1-CZ 4.1Å; F49-F59 HydrophobicContact CB-CD2 3.91Å; F49-F59 HydrophobicContact CB-CE2 3.78Å; F49-F59 HydrophobicContact CD2-CB 4.33Å; F49-F59 HydrophobicContact CD2-CD1 4.38Å; F49-F59 AromaticContact CD2-CD2 3.69Å; F49-F59 HydrophobicContact CD2-CD2 3.69Å; F49-F59 HydrophobicContact CD2-CE2 4.05Å; F49-F59 AromaticContact CD2-CG 3.86Å; F49-F59 HydrophobicContact CD2-CG 3.86Å; F49-F59 HydrophobicContact CG-CD2 4.31Å; F49-F59 HydrophobicContact CG-CE2 4.4Å; L52-F59 HydrophobicContact CD1-CB 4.34Å; L52-F59 HydrophobicContact CD1-CD2 4.37Å; E55-F59 VanDerWaalsContact O-CB 3.26Å; E55-F59 WeakPolarHBondContact O-CB 3.32Å; E55-F59 PolarHBondContact O-N 2.83Å; E56-F59 PolarHBondContact O-N 3.24Å; E57-F59 VanDerWaalsContact C-N 3.33Å; E57-F59 PolarHBondContact O-N 2.95Å; F59-E61 VanDerWaalsContact C-N 3.35Å; F59-E61 PolarHBondContact O-N 3.2Å; F59-W62 AromaticContact CD2-CE3 3.81Å; F59-W62 HydrophobicContact CD2-CE3 3.81Å; F59-W62 HydrophobicContact CD2-CZ3 4.09Å; F59-W62 AromaticContact CE2-CE3 3.69Å; F59-W62 HydrophobicContact CE2-CE3 3.69Å; F59-W62 AromaticContact CE2-CZ3 3.47Å; F59-W62 HydrophobicContact CE2-CZ3 3.47Å; F59-W62 VanDerWaalsContact CE2-CZ3 3.47Å; F59-W62 HydrophobicContact CZ-CE3 4.38Å; F59-W62 AromaticContact CZ-CZ3 3.99Å; F59-W62 HydrophobicContact CZ-CZ3 3.99Å; F59-W62 PolarHBondContact O-N 3.25Å; F59-L63 HydrophobicContact CE1-CD2 4Å; F59-L63 HydrophobicContact CZ-CD2 4.27Å; F59-L63 WeakPolarHBondContact O-CB 3.07Å; F59-L63 PolarHBondContact O-N 2.72Å; F59-C77 HydrophobicContact CE1-CB 4.35Å; F59-Y78 HydrophobicContact CD1-CD2 4.21Å; F59-L81 HydrophobicContact CE1-CD1 4.2Å; F59-L81 HydrophobicContact CE2-CD1 3.94Å; F59-L81 HydrophobicContact CZ-CD1 3.48Å; F59-L81 VanDerWaalsContact CZ-CD1 3.48Å
60K98.7Very high98.4Very high38 Ų3863.8 Ų63.817%0.16532%0.321CS..Hα-helixtrans-62.9-42.2177.6-73.5173.8-172.4161.40111.9E56 E57 L63 S64E56-K60 HydrophobicContact CG-CD 4.18Å; E56-K60 VanDerWaalsContact CG-CE 3.45Å; E56-K60 WeakPolarHBondContact O-CB 3.44Å; E56-K60 VanDerWaalsContact O-CG 3.25Å; E56-K60 WeakPolarHBondContact O-CG 3.35Å; E56-K60 PolarHBondContact O-N 3.48Å; E56-K60 VanDerWaalsContact OE1-CE 3.28Å; E56-K60 WeakPolarHBondContact OE1-CE 3.19Å; E56-K60 IonicContact OE1-NZ 3.31Å; E56-K60 PolarHBondContact OE1-NZ 3.06Å; E57-K60 PolarHBondContact O-N 2.91Å; E57-K60 IonicContact OE1-NZ 2.67Å; E57-K60 PolarHBondContact OE1-NZ 3.4Å; K60-L63 PolarHBondContact O-N 3.06Å; K60-S64 WeakPolarHBondContact O-CB 3.45Å; K60-S64 PolarHBondContact O-N 3.18Å
61E98.7Very high98.3Very high105 Ų10565.7 Ų65.749%0.49134%0.34SS..Hα-helixtrans-62-50.8175.7-176.3-179.9174.200110.6E57 F59 L63 S64 Q65E57-E61 VanDerWaalsContact O-CB 3.25Å; E57-E61 WeakPolarHBondContact O-CB 3.35Å; E57-E61 PolarHBondContact O-N 3.07Å; F59-E61 VanDerWaalsContact C-N 3.35Å; F59-E61 PolarHBondContact O-N 3.2Å; E61-L63 VanDerWaalsContact C-N 3.32Å; E61-L63 PolarHBondContact O-N 2.97Å; E61-S64 WeakPolarHBondContact O-CB 3.49Å; E61-S64 PolarHBondContact O-N 3.47Å; E61-Q65 HydrophobicContact CG-CG 4.46Å; E61-Q65 WeakPolarHBondContact O-CG 3.43Å; E61-Q65 PolarHBondContact O-N 2.79Å; E61-Q65 PolarHBondContact OE1-NE2 3.3Å
62W98.7Very high98.3Very high31 Ų3166.2 Ų66.212%0.11734%0.337CS..Hα-helixtrans-55.3-47177.2165.378000111.7L34 Y39 V45 Q48 L52 L58 F59 S64 Q65 T66L34-W62 HydrophobicContact CD2-CH2 4.36Å; Y39-W62 HydrophobicContact CD1-CH2 4.32Å; Y39-W62 HydrophobicContact CD1-CZ2 4.13Å; Y39-W62 HydrophobicContact CD2-CZ2 4.43Å; Y39-W62 HydrophobicContact CE1-CH2 4.22Å; Y39-W62 AromaticContact CE1-CZ2 3.69Å; Y39-W62 HydrophobicContact CE1-CZ2 3.69Å; Y39-W62 AromaticContact CE2-CZ2 4Å; Y39-W62 HydrophobicContact CE2-CZ2 4Å; Y39-W62 HydrophobicContact CG-CZ2 4.49Å; Y39-W62 AromaticContact CZ-CZ2 3.61Å; V45-W62 HydrophobicContact CG1-CH2 4.03Å; V45-W62 HydrophobicContact CG1-CZ3 4.03Å; Q48-W62 HydrophobicContact CB-CH2 4.21Å; Q48-W62 HydrophobicContact CB-CZ2 4.21Å; Q48-W62 HydrophobicContact CG-CD2 3.64Å; Q48-W62 VanDerWaalsContact CG-CE2 3.43Å; Q48-W62 HydrophobicContact CG-CE3 3.93Å; Q48-W62 HydrophobicContact CG-CG 4.29Å; Q48-W62 HydrophobicContact CG-CH2 3.87Å; Q48-W62 HydrophobicContact CG-CZ2 3.59Å; Q48-W62 HydrophobicContact CG-CZ3 4.03Å; L52-W62 HydrophobicContact CD1-CB 3.77Å; L52-W62 HydrophobicContact CD1-CD2 4.45Å; L52-W62 HydrophobicContact CD1-CG 4.03Å; L58-W62 VanDerWaalsContact O-CB 3.25Å; L58-W62 WeakPolarHBondContact O-CB 3.45Å; L58-W62 PolarHBondContact O-N 3.02Å; F59-W62 AromaticContact CD2-CE3 3.81Å; F59-W62 HydrophobicContact CD2-CE3 3.81Å; F59-W62 HydrophobicContact CD2-CZ3 4.09Å; F59-W62 AromaticContact CE2-CE3 3.69Å; F59-W62 HydrophobicContact CE2-CE3 3.69Å; F59-W62 AromaticContact CE2-CZ3 3.47Å; F59-W62 HydrophobicContact CE2-CZ3 3.47Å; F59-W62 VanDerWaalsContact CE2-CZ3 3.47Å; F59-W62 HydrophobicContact CZ-CE3 4.38Å; F59-W62 AromaticContact CZ-CZ3 3.99Å; F59-W62 HydrophobicContact CZ-CZ3 3.99Å; F59-W62 PolarHBondContact O-N 3.25Å; W62-S64 PolarHBondContact O-N 2.91Å; W62-Q65 PolarHBondContact O-N 3.28Å; W62-T66 HydrophobicContact CZ2-CG2 4.01Å; W62-T66 PolarHBondContact NE1-OG1 2.89Å; W62-T66 VanDerWaalsContact NE1-OG1 3.1Å; W62-T66 WeakPolarHBondContact O-CB 3.26Å; W62-T66 PolarHBondContact O-N 3.24Å; W62-T66 PolarHBondContact O-OG1 3.38Å
63L98.7Very high98.3Very high0 Ų067.1 Ų67.10%034%0.341CS..Hα-helixtrans-66.9-39.1-177.5-172.761.5000111.5I26 L34 F59 K60 E61 T66 C67 A69 C77I26-L63 HydrophobicContact CD1-CD1 4.12Å; I26-L63 HydrophobicContact CD1-CD2 4.01Å; L34-L63 HydrophobicContact CD1-CD1 4.28Å; L34-L63 HydrophobicContact CD2-CD1 4.19Å; F59-L63 HydrophobicContact CE1-CD2 4Å; F59-L63 HydrophobicContact CZ-CD2 4.27Å; F59-L63 WeakPolarHBondContact O-CB 3.07Å; F59-L63 PolarHBondContact O-N 2.72Å; K60-L63 PolarHBondContact O-N 3.06Å; E61-L63 VanDerWaalsContact C-N 3.32Å; E61-L63 PolarHBondContact O-N 2.97Å; L63-T66 PolarHBondContact O-N 3.05Å; L63-C67 PolarHBondContact O-N 3.4Å; L63-C67 PolarHBondContact O-SG 2.79Å; L63-A69 HydrophobicContact CD2-CB 4.25Å; L63-A69 HydrophobicContact CG-CB 3.88Å; L63-C77 HydrophobicContact CD2-CB 3.93Å
64S98.5Very high98.3Very high57 Ų5756.8 Ų56.840%0.39930%0.302SS..Hα-helixtrans-60.5-49.8172.6-179.90000111.7K60 E61 W62 T66 G68 A69K60-S64 WeakPolarHBondContact O-CB 3.45Å; K60-S64 PolarHBondContact O-N 3.18Å; E61-S64 WeakPolarHBondContact O-CB 3.49Å; E61-S64 PolarHBondContact O-N 3.47Å; W62-S64 PolarHBondContact O-N 2.91Å; S64-T66 VanDerWaalsContact C-N 3.26Å; S64-T66 PolarHBondContact O-N 3.34Å; S64-G68 WeakPolarHBondContact O-CA 3.43Å; S64-G68 PolarHBondContact O-N 3.46Å; S64-A69 WeakPolarHBondContact CB-O 3.43Å; S64-A69 PolarHBondContact OG-O 3.03Å
65Q98.3Very high98.3Very high131 Ų13155.9 Ų55.961%0.61230%0.299SS*.Hα-helixtrans-65.8-30.4177.7-69.2175.5-5.500112.6K37 E61 W62K37-Q65 PolarHBondContact NZ-O 3.18Å; E61-Q65 HydrophobicContact CG-CG 4.46Å; E61-Q65 WeakPolarHBondContact O-CG 3.43Å; E61-Q65 PolarHBondContact O-N 2.79Å; E61-Q65 PolarHBondContact OE1-NE2 3.3Å; W62-Q65 PolarHBondContact O-N 3.28Å
66T98.3Very high98.3Very high16 Ų1655.1 Ų55.110%0.09830%0.297CS..Hα-helixtrans-80.6-46.4-175.7-60.70000112L34 K37 Y39 W62 L63 S64L34-T66 HydrophobicContact CD2-CG2 3.76Å; K37-T66 HydrophobicContact CD-CG2 3.56Å; K37-T66 VanDerWaalsContact CD-O 3.31Å; K37-T66 WeakPolarHBondContact CD-O 3.46Å; K37-T66 WeakPolarHBondContact CE-O 3.41Å; K37-T66 PolarHBondContact NZ-O 2.85Å; Y39-T66 HydrophobicContact CD2-CG2 4.31Å; Y39-T66 HydrophobicContact CE2-CG2 4.2Å; W62-T66 HydrophobicContact CZ2-CG2 4.01Å; W62-T66 PolarHBondContact NE1-OG1 2.89Å; W62-T66 VanDerWaalsContact NE1-OG1 3.1Å; W62-T66 WeakPolarHBondContact O-CB 3.26Å; W62-T66 PolarHBondContact O-N 3.24Å; W62-T66 PolarHBondContact O-OG1 3.38Å; L63-T66 PolarHBondContact O-N 3.05Å; S64-T66 VanDerWaalsContact C-N 3.26Å; S64-T66 PolarHBondContact O-N 3.34Å
67C98.2Very high98.3Very high4 Ų452.1 Ų52.13%0.02728%0.283CS..Hα-helixtrans-129.32.2-175.366.90000114.9L30 R33 L34 L63L30-C67 HydrophobicContact CD2-CB 4.33Å; L30-C67 WeakPolarHBondContact CD2-O 3.34Å; R33-C67 HydrophobicContact CB-CB 3.83Å; R33-C67 WeakPolarHBondContact CD-O 3.35Å; R33-C67 PolarHBondContact NH1-O 2.89Å; L34-C67 HydrophobicContact CD2-CB 4.09Å; L34-C67 HydrophobicContact CG-CB 3.82Å; L63-C67 PolarHBondContact O-N 3.4Å; L63-C67 PolarHBondContact O-SG 2.79Å
68G98.1Very high98.3Very high45 Ų4547.3 Ų47.346%0.46426%0.26SS..  trans75.329.1-178.200000113.1S64S64-G68 WeakPolarHBondContact O-CA 3.43Å; S64-G68 PolarHBondContact O-N 3.46Å
69A98.4Very high98.3Very high3 Ų345.9 Ų45.93%0.02526%0.255CS..  trans-66.4134.3174.800000111.1L30 L63 S64 Q73L30-A69 HydrophobicContact CD1-CB 3.96Å; L63-A69 HydrophobicContact CD2-CB 4.25Å; L63-A69 HydrophobicContact CG-CB 3.88Å; S64-A69 WeakPolarHBondContact CB-O 3.43Å; S64-A69 PolarHBondContact OG-O 3.03Å; A69-Q73 HydrophobicContact CB-CB 4.07Å
70N98.3Very high98.3Very high85 Ų8545.9 Ų45.946%0.45526%0.255SS..  trans-80171.8172.46844.4000111.9K72 Q73 S74N70-K72 PolarHBondContact O-N 3.16Å; N70-K72 VanDerWaalsContact O-N 3.14Å; N70-K72 WeakPolarHBondContact OD1-CB 3.43Å; N70-K72 PolarHBondContact OD1-N 3.31Å; N70-Q73 VanDerWaalsContact CG-OE1 3.29Å; N70-Q73 PolarHBondContact ND2-OE1 3.07Å; N70-Q73 PolarHBondContact O-N 2.77Å; N70-Q73 WeakPolarHBondContact OD1-CG 3.38Å; N70-Q73 PolarHBondContact OD1-N 3.33Å; N70-S74 PolarHBondContact O-N 3.31Å; N70-S74 PolarHBondContact O-OG 3.38Å; N70-S74 VanDerWaalsContact O-OG 3.1Å
71S97.8Very high98.3Very high105 Ų10544.1 Ų44.173%0.73425%0.247SC*.Hα-helixtrans-55.4-33.6-177.4-48.90000114.3S74 G75S71-S74 PolarHBondContact O-OG 2.95Å; S71-G75 PolarHBondContact O-N 3.4Å
72K97.4Very high98.3Very high137 Ų13743.7 Ų43.760%0.59624%0.244SC*.Hα-helixtrans-71.3-47.9176.3176.5169.4173.941.80111N70 G75 D76N70-K72 PolarHBondContact O-N 3.16Å; N70-K72 VanDerWaalsContact O-N 3.14Å; N70-K72 WeakPolarHBondContact OD1-CB 3.43Å; N70-K72 PolarHBondContact OD1-N 3.31Å; K72-G75 PolarHBondContact O-N 2.92Å; K72-D76 IonicContact NZ-OD1 2.91Å; K72-D76 PolarHBondContact NZ-OD1 2.79Å; K72-D76 IonicContact NZ-OD2 3.36Å; K72-D76 PolarHBondContact NZ-OD2 3.41Å; K72-D76 WeakPolarHBondContact O-CB 3.47Å; K72-D76 PolarHBondContact O-N 3.35Å
73Q98.2Very high98.2Very high55 Ų5545 Ų4526%0.25725%0.254SS..Hα-helixtrans-63.6-44.4-178.6-70.2169-42.800111.4G25 L30 A69 N70 C77G25-Q73 WeakPolarHBondContact CA-O 3.44Å; G25-Q73 WeakPolarHBondContact O-CB 3.32Å; G25-Q73 WeakPolarHBondContact O-CG 3.15Å; L30-Q73 HydrophobicContact CD1-CB 4.16Å; L30-Q73 HydrophobicContact CD1-CG 4.23Å; A69-Q73 HydrophobicContact CB-CB 4.07Å; N70-Q73 VanDerWaalsContact CG-OE1 3.29Å; N70-Q73 PolarHBondContact ND2-OE1 3.07Å; N70-Q73 PolarHBondContact O-N 2.77Å; N70-Q73 WeakPolarHBondContact OD1-CG 3.38Å; N70-Q73 PolarHBondContact OD1-N 3.33Å; Q73-C77 WeakPolarHBondContact O-CB 3.43Å; Q73-C77 PolarHBondContact O-N 3Å
74S98.4Very high98.2Very high4 Ų445.7 Ų45.73%0.02826%0.256CS..Hα-helixtrans-70.2-37.5178.260.50000112.6N70 S71 C77 Y78N70-S74 PolarHBondContact O-N 3.31Å; N70-S74 PolarHBondContact O-OG 3.38Å; N70-S74 VanDerWaalsContact O-OG 3.1Å; S71-S74 PolarHBondContact O-OG 2.95Å; S74-C77 PolarHBondContact O-N 2.91Å; S74-Y78 VanDerWaalsContact O-CB 3.29Å; S74-Y78 WeakPolarHBondContact O-CB 3.41Å; S74-Y78 PolarHBondContact O-N 2.84Å
75G98.2Very high98.2Very high15 Ų1543 Ų4316%0.15524%0.237CC..Hα-helixtrans-61.2-49.8171.800000112.8S71 K72 C77 Y78 T79S71-G75 PolarHBondContact O-N 3.4Å; K72-G75 PolarHBondContact O-N 2.92Å; G75-C77 VanDerWaalsContact C-N 3.3Å; G75-C77 PolarHBondContact O-N 3.5Å; G75-Y78 PolarHBondContact O-N 3.34Å; G75-T79 PolarHBondContact O-N 3.02Å; G75-T79 PolarHBondContact O-OG1 3.48Å; G75-T79 VanDerWaalsContact O-OG1 3.1Å
76D98Very high98.1Very high63 Ų6340.1 Ų40.134%0.33723%0.232SC..Hα-helixtrans-59.3-41.3178.7-70.3-17.2000111K72 A80K72-D76 IonicContact NZ-OD1 2.91Å; K72-D76 PolarHBondContact NZ-OD1 2.79Å; K72-D76 IonicContact NZ-OD2 3.36Å; K72-D76 PolarHBondContact NZ-OD2 3.41Å; K72-D76 WeakPolarHBondContact O-CB 3.47Å; K72-D76 PolarHBondContact O-N 3.35Å; D76-A80 WeakPolarHBondContact O-CB 3.25Å; D76-A80 PolarHBondContact O-N 3.23Å
77C98.5Very high98Very high0 Ų043.3 Ų43.30%025%0.254CS..Hα-helixtrans-67.5-44.1177.1-171.80000112.4P24 I26 F59 L63 Q73 S74 G75 A80 L81P24-C77 WeakPolarHBondContact O-CA 3.36Å; P24-C77 WeakPolarHBondContact O-CB 3.12Å; P24-C77 PolarHBondContact O-N 2.94Å; I26-C77 HydrophobicContact CD1-CB 4.35Å; F59-C77 HydrophobicContact CE1-CB 4.35Å; L63-C77 HydrophobicContact CD2-CB 3.93Å; Q73-C77 WeakPolarHBondContact O-CB 3.43Å; Q73-C77 PolarHBondContact O-N 3Å; S74-C77 PolarHBondContact O-N 2.91Å; G75-C77 VanDerWaalsContact C-N 3.3Å; G75-C77 PolarHBondContact O-N 3.5Å; C77-A80 PolarHBondContact O-N 3.5Å; C77-L81 WeakPolarHBondContact O-CG 3.46Å; C77-L81 PolarHBondContact O-N 3.14Å
78Y98.7Very high98Very high12 Ų1247.2 Ų47.25%0.04727%0.27CS..Hα-helixtrans-59.9-50.2177.6166.2-97.4000111.3F49 E56 F59 S74 G75 A80 L81 K82F49-Y78 HydrophobicContact CD2-CD2 4.45Å; F49-Y78 AromaticContact CE2-CD2 3.61Å; F49-Y78 HydrophobicContact CE2-CD2 3.61Å; F49-Y78 AromaticContact CE2-CE2 3.75Å; F49-Y78 HydrophobicContact CE2-CE2 3.75Å; F49-Y78 HydrophobicContact CZ-CD2 4.47Å; F49-Y78 HydrophobicContact CZ-CE2 4.33Å; E56-Y78 VanDerWaalsContact CA-CE2 3.45Å; E56-Y78 HydrophobicContact CB-CD2 4.25Å; E56-Y78 HydrophobicContact CB-CE1 3.99Å; E56-Y78 HydrophobicContact CB-CE2 3.65Å; E56-Y78 VanDerWaalsContact CB-CZ 3.47Å; E56-Y78 WeakPolarHBondContact CB-OH 3.25Å; E56-Y78 HydrophobicContact CG-CD1 3.74Å; E56-Y78 HydrophobicContact CG-CD2 4.06Å; E56-Y78 HydrophobicContact CG-CE1 3.46Å; E56-Y78 VanDerWaalsContact CG-CE1 3.46Å; E56-Y78 HydrophobicContact CG-CE2 3.84Å; E56-Y78 HydrophobicContact CG-CG 4.02Å; E56-Y78 WeakPolarHBondContact OE2-CE1 3.44Å; E56-Y78 VanDerWaalsContact OE2-CZ 3.31Å; E56-Y78 PolarHBondContact OE2-OH 3.43Å; F59-Y78 HydrophobicContact CD1-CD2 4.21Å; S74-Y78 VanDerWaalsContact O-CB 3.29Å; S74-Y78 WeakPolarHBondContact O-CB 3.41Å; S74-Y78 PolarHBondContact O-N 2.84Å; G75-Y78 PolarHBondContact O-N 3.34Å; Y78-A80 VanDerWaalsContact C-N 3.27Å; Y78-A80 PolarHBondContact O-N 3.21Å; Y78-L81 PolarHBondContact O-N 3.05Å; Y78-K82 HydrophobicContact CE1-CD 3.92Å; Y78-K82 WeakPolarHBondContact O-CB 3.38Å; Y78-K82 PolarHBondContact O-N 2.95Å; Y78-K82 PolarHBondContact OH-NZ 3.46Å; Y78-K82 VanDerWaalsContact OH-NZ 3.09Å
79T98.2Very high97.8Very high58 Ų5848.9 Ų48.936%0.35627%0.268SS..Hα-helixtrans-60-41.1180-55.60000110.8G75 K82 D83G75-T79 PolarHBondContact O-N 3.02Å; G75-T79 PolarHBondContact O-OG1 3.48Å; G75-T79 VanDerWaalsContact O-OG1 3.1Å; T79-K82 PolarHBondContact O-N 2.78Å; T79-D83 WeakPolarHBondContact O-CB 3.43Å; T79-D83 PolarHBondContact O-N 3Å
80A98.2Very high97.6Very high0 Ų056.8 Ų56.80%030%0.302CS..Hα-helixtrans-63.1-44.2177.600000113.4H7 F10 P24 D76 C77 Y78 W84H7-A80 VanDerWaalsContact CE1-CA 3.43Å; H7-A80 WeakPolarHBondContact CE1-CA 3.29Å; F10-A80 HydrophobicContact CD1-CB 4.14Å; P24-A80 HydrophobicContact CB-CB 3.75Å; P24-A80 HydrophobicContact CG-CB 3.4Å; P24-A80 VanDerWaalsContact CG-CB 3.4Å; D76-A80 WeakPolarHBondContact O-CB 3.25Å; D76-A80 PolarHBondContact O-N 3.23Å; C77-A80 PolarHBondContact O-N 3.5Å; Y78-A80 VanDerWaalsContact C-N 3.27Å; Y78-A80 PolarHBondContact O-N 3.21Å; A80-W84 WeakPolarHBondContact O-CB 3.07Å; A80-W84 PolarHBondContact O-N 3.04Å
81L98.5Very high97.5Very high0 Ų055.4 Ų55.40%029%0.294CS..Hα-helixtrans-67.4-40177.1-71.5170.4000111.6F10 L23 V45 L46 F49 F59 C77 Y78 W84 C85F10-L81 HydrophobicContact CE1-CD2 4.3Å; F10-L81 HydrophobicContact CZ-CD2 4.22Å; L23-L81 HydrophobicContact CD2-CD2 3.74Å; L23-L81 HydrophobicContact CD2-CG 4.16Å; V45-L81 HydrophobicContact CG1-CD1 4.14Å; L46-L81 HydrophobicContact CB-CD2 4.22Å; L46-L81 HydrophobicContact CD1-CD2 4.15Å; F49-L81 HydrophobicContact CB-CD1 4Å; F49-L81 HydrophobicContact CD1-CB 4.12Å; F49-L81 HydrophobicContact CD2-CB 4.33Å; F49-L81 HydrophobicContact CD2-CD1 4.28Å; F49-L81 HydrophobicContact CE1-CB 4.15Å; F49-L81 HydrophobicContact CE2-CB 4.38Å; F49-L81 HydrophobicContact CG-CB 4.2Å; F49-L81 HydrophobicContact CG-CD1 4.09Å; F49-L81 HydrophobicContact CZ-CB 4.28Å; F59-L81 HydrophobicContact CE1-CD1 4.2Å; F59-L81 HydrophobicContact CE2-CD1 3.94Å; F59-L81 HydrophobicContact CZ-CD1 3.48Å; F59-L81 VanDerWaalsContact CZ-CD1 3.48Å; C77-L81 WeakPolarHBondContact O-CG 3.46Å; C77-L81 PolarHBondContact O-N 3.14Å; Y78-L81 PolarHBondContact O-N 3.05Å; L81-W84 PolarHBondContact O-N 3.42Å; L81-C85 WeakPolarHBondContact O-CB 3.43Å; L81-C85 PolarHBondContact O-N 3.07Å; L81-C85 PolarHBondContact O-SG 3.1Å
82K98.2Very high97.5Very high97 Ų9752.8 Ų52.842%0.42227%0.271SS..Hα-helixtrans-62.7-47.5176.4-176.1174.6-172164.80112.1F49 Y78 T79 C85 S86F49-K82 HydrophobicContact CZ-CB 4.35Å; Y78-K82 HydrophobicContact CE1-CD 3.92Å; Y78-K82 WeakPolarHBondContact O-CB 3.38Å; Y78-K82 PolarHBondContact O-N 2.95Å; Y78-K82 PolarHBondContact OH-NZ 3.46Å; Y78-K82 VanDerWaalsContact OH-NZ 3.09Å; T79-K82 PolarHBondContact O-N 2.78Å; K82-C85 PolarHBondContact O-N 3.35Å; K82-S86 PolarHBondContact O-N 2.94Å; K82-S86 PolarHBondContact O-OG 3.1Å
83D97.8Very high97.5Very high59 Ų5948.1 Ų48.132%0.31625%0.253SS..Hα-helixtrans-62.6-45.7176.9-72.1-5.5000110.3H7 V11 T79 C85 S86 C87H7-D83 IonicContact CE1-OD2 2.77Å; H7-D83 PolarHBondContact CE1-OD2 2.89Å; H7-D83 VanDerWaalsContact CE1-OD2 3.31Å; H7-D83 IonicContact NE2-OD2 2.67Å; H7-D83 PolarHBondContact NE2-OD2 3.22Å; V11-D83 HydrophobicContact CG1-CB 3.97Å; T79-D83 WeakPolarHBondContact O-CB 3.43Å; T79-D83 PolarHBondContact O-N 3Å; D83-C85 PolarHBondContact O-N 2.83Å; D83-S86 WeakPolarHBondContact O-CB 3.46Å; D83-S86 PolarHBondContact O-N 2.91Å; D83-C87 PolarHBondContact O-N 2.9Å; D83-C87 PolarHBondContact O-SG 3.02Å
84W98.1Very high97.5Very high13 Ų1347.7 Ų47.75%0.04925%0.253CS..Hα-helixtrans-60.4-45.4177.2-174.791.9000111.9F10 V11 E13 I15 L46 A80 L81 S86 C87 F88 I89F10-W84 HydrophobicContact CD1-CB 4.39Å; F10-W84 HydrophobicContact CE1-CB 3.91Å; F10-W84 HydrophobicContact CE1-CG 4.02Å; V11-W84 HydrophobicContact CG1-CB 4.32Å; E13-W84 PolarHBondContact O-NE1 3.09Å; I15-W84 HydrophobicContact CB-CD2 4.48Å; I15-W84 HydrophobicContact CB-CH2 4.05Å; I15-W84 HydrophobicContact CB-CZ2 3.54Å; I15-W84 HydrophobicContact CG2-CH2 3.98Å; I15-W84 HydrophobicContact CG2-CZ2 3.84Å; L46-W84 HydrophobicContact CD1-CE3 4.17Å; L46-W84 HydrophobicContact CD1-CZ3 4.12Å; L46-W84 HydrophobicContact CD2-CE3 4.02Å; L46-W84 HydrophobicContact CD2-CH2 3.9Å; L46-W84 HydrophobicContact CD2-CZ3 3.36Å; L46-W84 HydrophobicContact CG-CZ3 4.39Å; A80-W84 WeakPolarHBondContact O-CB 3.07Å; A80-W84 PolarHBondContact O-N 3.04Å; L81-W84 PolarHBondContact O-N 3.42Å; W84-S86 VanDerWaalsContact C-N 3.27Å; W84-S86 PolarHBondContact O-N 3.44Å; W84-C87 PolarHBondContact O-N 3.46Å; W84-F88 AromaticContact CD1-CD2 3.62Å; W84-F88 AromaticContact CD1-CE2 3.82Å; W84-F88 HydrophobicContact CD2-CB 4.46Å; W84-F88 AromaticContact CD2-CD2 3.97Å; W84-F88 HydrophobicContact CD2-CD2 3.97Å; W84-F88 AromaticContact CE2-CD2 3.47Å; W84-F88 VanDerWaalsContact CE2-CD2 3.47Å; W84-F88 AromaticContact CE2-CG 3.98Å; W84-F88 AromaticContact CG-CD2 4Å; W84-F88 HydrophobicContact CG-CD2 4Å; W84-F88 HydrophobicContact CH2-CB 3.88Å; W84-F88 HydrophobicContact CZ2-CB 3.63Å; W84-F88 AromaticContact CZ2-CD2 3.94Å; W84-F88 HydrophobicContact CZ2-CD2 3.94Å; W84-F88 AromaticContact CZ2-CG 3.95Å; W84-F88 HydrophobicContact CZ2-CG 3.95Å; W84-F88 HydrophobicContact CZ3-CB 4.39Å; W84-F88 AromaticContact NE1-CD2 3.26Å; W84-F88 VanDerWaalsContact NE1-CD2 3.26Å; W84-F88 AromaticContact NE1-CE2 3.6Å; W84-F88 WeakPolarHBondContact O-CD2 3.39Å; W84-F88 PolarHBondContact O-N 3.03Å; W84-I89 HydrophobicContact CH2-CD1 4.18Å; W84-I89 HydrophobicContact CH2-CG1 4.07Å; W84-I89 HydrophobicContact CZ3-CD1 3.55Å; W84-I89 HydrophobicContact CZ3-CG1 3.69Å
85C97.9Very high97.4Very high1 Ų150.4 Ų50.41%0.00727%0.267CS..Hα-helixtrans-60.5-37.2176.1-74.20000112.3L46 L81 K82 D83 C87 F88 I89 F90L46-C85 VanDerWaalsContact CD1-SG 3.56Å; L81-C85 WeakPolarHBondContact O-CB 3.43Å; L81-C85 PolarHBondContact O-N 3.07Å; L81-C85 PolarHBondContact O-SG 3.1Å; K82-C85 PolarHBondContact O-N 3.35Å; D83-C85 PolarHBondContact O-N 2.83Å; C85-C87 PolarHBondContact O-N 3.36Å; C85-F88 PolarHBondContact O-N 2.88Å; C85-I89 HydrophobicContact CB-CB 4.49Å; C85-I89 PolarHBondContact O-N 2.95Å; C85-F90 HydrophobicContact CB-CD2 3.7Å; C85-F90 HydrophobicContact CB-CE2 3.59Å; C85-F90 PolarHBondContact O-N 2.67Å
86S97Very high97.4Very high71 Ų7152.8 Ų52.850%0.49728%0.275SS..Hα-helixtrans-68.2-18.4177-52.20000113.3K82 D83 W84K82-S86 PolarHBondContact O-N 2.94Å; K82-S86 PolarHBondContact O-OG 3.1Å; D83-S86 WeakPolarHBondContact O-CB 3.46Å; D83-S86 PolarHBondContact O-N 2.91Å; W84-S86 VanDerWaalsContact C-N 3.27Å; W84-S86 PolarHBondContact O-N 3.44Å
87C96.4Very high97.3Very high83 Ų8352.1 Ų52.156%0.56127%0.27SS*.Hα-helixtrans-95.4-28.5176.7-67.80000113.2D83 W84 C85D83-C87 PolarHBondContact O-N 2.9Å; D83-C87 PolarHBondContact O-SG 3.02Å; W84-C87 PolarHBondContact O-N 3.46Å; C85-C87 PolarHBondContact O-N 3.36Å
88F97.1Very high97.3Very high85 Ų8556.1 Ų56.137%0.37329%0.291SS..Hα-helixtrans-131.9-9.1-165.5-61.7-72.6000116.1V11 E13 P14 W84 C85V11-F88 WeakPolarHBondContact O-CE2 3.28Å; E13-F88 WeakPolarHBondContact O-CE2 3.46Å; P14-F88 HydrophobicContact CG-CD1 4.15Å; P14-F88 HydrophobicContact CG-CE1 3.93Å; W84-F88 AromaticContact CD1-CD2 3.62Å; W84-F88 AromaticContact CD1-CE2 3.82Å; W84-F88 HydrophobicContact CD2-CB 4.46Å; W84-F88 AromaticContact CD2-CD2 3.97Å; W84-F88 HydrophobicContact CD2-CD2 3.97Å; W84-F88 AromaticContact CE2-CD2 3.47Å; W84-F88 VanDerWaalsContact CE2-CD2 3.47Å; W84-F88 AromaticContact CE2-CG 3.98Å; W84-F88 AromaticContact CG-CD2 4Å; W84-F88 HydrophobicContact CG-CD2 4Å; W84-F88 HydrophobicContact CH2-CB 3.88Å; W84-F88 HydrophobicContact CZ2-CB 3.63Å; W84-F88 AromaticContact CZ2-CD2 3.94Å; W84-F88 HydrophobicContact CZ2-CD2 3.94Å; W84-F88 AromaticContact CZ2-CG 3.95Å; W84-F88 HydrophobicContact CZ2-CG 3.95Å; W84-F88 HydrophobicContact CZ3-CB 4.39Å; W84-F88 AromaticContact NE1-CD2 3.26Å; W84-F88 VanDerWaalsContact NE1-CD2 3.26Å; W84-F88 AromaticContact NE1-CE2 3.6Å; W84-F88 WeakPolarHBondContact O-CD2 3.39Å; W84-F88 PolarHBondContact O-N 3.03Å; C85-F88 PolarHBondContact O-N 2.88Å
89I95.8Very high97.1Very high80 Ų8059.8 Ų59.841%0.4131%0.311SS..THydrogen-bonded Turntrans-123.1-48.7179.9-66.1-170.9000112.3L46 L50 W84 C85L46-I89 HydrophobicContact CD2-CD1 4.32Å; L50-I89 HydrophobicContact CD1-CD1 4.11Å; L50-I89 HydrophobicContact CD2-CD1 4.47Å; W84-I89 HydrophobicContact CH2-CD1 4.18Å; W84-I89 HydrophobicContact CH2-CG1 4.07Å; W84-I89 HydrophobicContact CZ3-CD1 3.55Å; W84-I89 HydrophobicContact CZ3-CG1 3.69Å; C85-I89 HydrophobicContact CB-CB 4.49Å; C85-I89 PolarHBondContact O-N 2.95Å
90F92.5Very high97Very high170 Ų17059.9 Ų59.975%0.74631%0.307SS*.  trans-100.30-175.7-53.9-50.8000110.8L50 C85L50-F90 HydrophobicContact CD2-CZ 4.21Å; C85-F90 HydrophobicContact CB-CD2 3.7Å; C85-F90 HydrophobicContact CB-CE2 3.59Å; C85-F90 PolarHBondContact O-N 2.67Å

Retrieved 90 of 90 residues in 200.3 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).