A0A077ZHE3_TRITR Loading...

Lipopolysaccharide export system ATP-binding protein LptB

Part of the ABC transporter complex LptBFG involved in the translocation of lipopolysaccharide (LPS) from the inner membrane to the outer membrane. Probably responsible for energy coupling to the transport system.

AlphaFold DB , UniProt , Accession A0A077ZHE3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 241 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
1M82.9Confident96.3Very high208 Ų20846.4 Ų46.4100%1.02524%0.242SC*.  0132.30-75.1170.8173.100106.4
2A93.9Very high96.3Very high13 Ų1345.3 Ų45.311%0.10725%0.245CC..  trans-81.6153.3174.600000109.5N27 S28 D63 K157 F158A2-N27 CarbonylContact O-C 3.46Å; A2-N27 WeakPolarHBondContact O-CA 3.46Å; A2-S28 WeakPolarHBondContact CB-OG 3.2Å; A2-S28 PolarHBondContact N-OG 3.27Å; A2-S28 PolarHBondContact O-N 3.47Å; A2-S28 PolarHBondContact O-OG 3.49Å; A2-D63 WeakPolarHBondContact CA-OD1 3.38Å; A2-K157 HydrophobicContact CB-CD 4.4Å; A2-F158 HydrophobicContact CB-CE2 4.08Å; A2-F158 HydrophobicContact CB-CZ 3.76Å
3T97.9Very high96.3Very high36 Ų3648.8 Ų48.822%0.22125%0.254CS..EExtended strand (participates in β ladder)trans-132.4124.8179-61.30000111T25 V26 N27 I62 D63 F158T3-T25 HydrophobicContact CG2-CG2 3.26Å; T3-V26 CarbonylContact C-O 3.51Å; T3-N27 VanDerWaalsContact CG2-OD1 3.32Å; T3-N27 WeakPolarHBondContact CG2-OD1 3.42Å; T3-N27 PolarHBondContact OG1-OD1 3.26Å; T3-I62 CarbonylContact O-C 3.53Å; T3-I62 WeakPolarHBondContact O-CA 3.37Å; T3-D63 PolarHBondContact N-OD1 2.95Å; T3-D63 PolarHBondContact O-N 2.74Å; T3-F158 VanDerWaalsContact C-CZ 3.49Å
4L98.3Very high96.1Very high2 Ų261.2 Ų61.21%0.0130%0.304CS..EExtended strand (participates in β ladder)trans-95.3119.3169.1173.365000109T25 V26 V49 I60 I62 I80 F158 L160L4-T25 CarbonylContact O-C 3.54Å; L4-T25 VanDerWaalsContact O-CA 3.27Å; L4-T25 WeakPolarHBondContact O-CA 3.46Å; L4-V26 PolarHBondContact N-O 3.1Å; L4-V26 PolarHBondContact O-N 3.03Å; L4-V49 HydrophobicContact CD1-CG1 4.35Å; L4-V49 HydrophobicContact CD2-CG1 4Å; L4-I60 HydrophobicContact CD1-CG2 4.18Å; L4-I62 HydrophobicContact CD1-CD1 4.47Å; L4-I62 HydrophobicContact CD1-CG1 3.77Å; L4-I80 HydrophobicContact CD1-CD1 4.16Å; L4-F158 HydrophobicContact CB-CD1 3.66Å; L4-F158 HydrophobicContact CB-CD2 3.94Å; L4-F158 HydrophobicContact CB-CE1 3.68Å; L4-F158 HydrophobicContact CB-CE2 3.94Å; L4-F158 HydrophobicContact CB-CG 3.81Å; L4-F158 HydrophobicContact CB-CZ 3.81Å; L4-F158 HydrophobicContact CD2-CB 4.09Å; L4-F158 HydrophobicContact CD2-CD1 4.39Å; L4-F158 HydrophobicContact CD2-CG 4.11Å; L4-F158 VanDerWaalsContact N-CZ 3.26Å; L4-L160 HydrophobicContact CD2-CD1 4.1Å
5T98.3Very high95.7Very high35 Ų3561.9 Ų61.922%0.21533%0.334CS..EExtended strand (participates in β ladder)trans-120.2123178.9-63.30000110.5K7 T25 I60 I61T5-K7 HydrophobicContact CG2-CB 4.33Å; T5-T25 PolarHBondContact OG1-OG1 3.19Å; T5-I60 CarbonylContact O-C 3.51Å; T5-I60 WeakPolarHBondContact O-CA 3.35Å; T5-I61 PolarHBondContact N-O 3.01Å; T5-I61 PolarHBondContact O-N 3.33Å
6A98.1Very high95.6Very high1 Ų169.7 Ų69.71%0.00836%0.357CS..EExtended strand (participates in β ladder)trans-102.8119.6164.100000107.6L9 S23 L24 V49 N59A6-L9 HydrophobicContact CB-CD1 3.57Å; A6-L9 HydrophobicContact CB-CG 3.98Å; A6-S23 CarbonylContact O-C 3.6Å; A6-S23 WeakPolarHBondContact O-CA 3.43Å; A6-L24 HydrophobicContact CB-CD1 3.93Å; A6-L24 HydrophobicContact CB-CG 3.98Å; A6-L24 PolarHBondContact N-O 3.19Å; A6-L24 PolarHBondContact O-N 2.77Å; A6-V49 HydrophobicContact CB-CG2 4.07Å; A6-N59 WeakPolarHBondContact CA-O 3.49Å
7K97.8Very high95.6Very high108 Ų10875.4 Ų75.447%0.4737%0.372SS..EExtended strand (participates in β ladder)trans-119.3125.8-173.6-179.2173.7-178.2-178.50110.6T5 L9 G58 N59T5-K7 HydrophobicContact CG2-CB 4.33Å; K7-L9 PolarHBondContact O-N 3.02Å; K7-G58 CarbonylContact O-C 3.5Å; K7-G58 WeakPolarHBondContact O-CA 3.39Å; K7-N59 PolarHBondContact N-O 2.87Å; K7-N59 PolarHBondContact O-N 3.1Å
8N97.8Very high95.7Very high70 Ų7072.8 Ų72.837%0.37436%0.362SS..EExtended strand (participates in β ladder)trans46.943.7176-55.2112.4000113.3A10 D21 V22 S23 A57 G58N8-A10 PolarHBondContact O-N 3.47Å; N8-D21 WeakPolarHBondContact CA-OD1 3.46Å; N8-D21 PolarHBondContact ND2-OD1 3.42Å; N8-V22 PolarHBondContact N-O 3.13Å; N8-S23 PolarHBondContact N-OG 3.34Å; N8-A57 CarbonylContact O-C 3.6Å; N8-G58 WeakPolarHBondContact O-CA 3.34Å; N8-G58 PolarHBondContact O-N 2.83Å
9L98.2Very high95.8Very high0 Ų069 Ų690%034%0.343CS..EExtended strand (participates in β ladder)trans-64.1135.7-179.3-69.8-172.7000110.6A6 K7 V19 E20 V22 T45 M48 V49 R55 I60A6-L9 HydrophobicContact CB-CD1 3.57Å; A6-L9 HydrophobicContact CB-CG 3.98Å; K7-L9 PolarHBondContact O-N 3.02Å; L9-V19 HydrophobicContact CB-CG1 4.37Å; L9-V19 WeakPolarHBondContact O-CG1 3.5Å; L9-E20 CarbonylContact O-C 3.58Å; L9-V22 WeakPolarHBondContact CB-O 3.43Å; L9-V22 PolarHBondContact N-O 3.35Å; L9-V22 PolarHBondContact O-N 2.82Å; L9-V22 VanDerWaalsContact O-N 3.15Å; L9-T45 HydrophobicContact CD1-CG2 4.06Å; L9-M48 HydrophobicContact CB-CE 3.9Å; L9-M48 HydrophobicContact CB-SD 4.47Å; L9-M48 HydrophobicContact CD1-CB 4.31Å; L9-M48 HydrophobicContact CD1-CE 4.17Å; L9-V49 HydrophobicContact CD1-CG2 4.1Å; L9-R55 HydrophobicContact CD2-CB 4.4Å; L9-I60 HydrophobicContact CD2-CD1 4.28Å; L9-I60 HydrophobicContact CD2-CG1 3.86Å
10A98.1Very high95.8Very high17 Ų1769 Ų6914%0.1434%0.342CS..EExtended strand (participates in β ladder)trans-136.8144.217400000111.6N8 V19 E20 D56 A57N8-A10 PolarHBondContact O-N 3.47Å; A10-V19 CarbonylContact C-O 3.47Å; A10-V19 VanDerWaalsContact CA-O 3.31Å; A10-V19 WeakPolarHBondContact CA-O 3.47Å; A10-E20 WeakPolarHBondContact CB-O 3.32Å; A10-D56 PolarHBondContact O-N 3.32Å; A10-A57 HydrophobicContact CB-CB 3.86Å; A10-A57 PolarHBondContact N-O 3.22Å; A10-A57 PolarHBondContact O-N 2.91Å
11K97.8Very high95.8Very high20 Ų2069.1 Ų69.19%0.08734%0.344CS..EExtended strand (participates in β ladder)trans-150.2130.7173.9-171.267.7-168.41700112.5Y13 V18 V19 T44 M48 V53 P54 D56K11-Y13 HydrophobicContact CG-CD2 4.21Å; K11-Y13 HydrophobicContact CG-CE2 3.63Å; K11-V18 PolarHBondContact O-N 3.18Å; K11-V19 HydrophobicContact CB-CB 4.3Å; K11-V19 PolarHBondContact N-O 2.67Å; K11-V19 PolarHBondContact O-N 3.32Å; K11-V19 VanDerWaalsContact O-N 3.1Å; K11-T44 HydrophobicContact CB-CG2 3.86Å; K11-T44 HydrophobicContact CG-CG2 3.86Å; K11-M48 HydrophobicContact CB-CE 4.13Å; K11-M48 HydrophobicContact CB-SD 3.78Å; K11-V53 HydrophobicContact CD-CG1 3.79Å; K11-V53 HydrophobicContact CG-CG1 4.33Å; K11-P54 VanDerWaalsContact CD-O 3.29Å; K11-P54 WeakPolarHBondContact CD-O 3.37Å; K11-P54 WeakPolarHBondContact CE-O 3.37Å; K11-P54 PolarHBondContact NZ-O 3.15Å; K11-D56 WeakPolarHBondContact CA-OD2 3.21Å; K11-D56 IonicContact NZ-OD1 3.72Å; K11-D56 PolarHBondContact NZ-OD1 3.41Å
12A97.2Very high96.5Very high34 Ų3459.2 Ų59.228%0.28130%0.295SS..EExtended strand (participates in β ladder)trans-117.9144.6167.900000111.9R16 R17 D56A12-R16 CarbonylContact C-O 3.56Å; A12-R16 WeakPolarHBondContact CA-O 3.27Å; A12-R17 HydrophobicContact CB-CG 4.29Å; A12-D56 PolarHBondContact N-OD2 3.36Å
13Y95.4Very high96.7Very high91 Ų9160.6 Ų60.636%0.35730%0.304SS..EExtended strand (participates in β ladder)trans-121.2121171.1-65-82.8000109.2K11 G15 R16 V18 T44K11-Y13 HydrophobicContact CG-CD2 4.21Å; K11-Y13 HydrophobicContact CG-CE2 3.63Å; Y13-G15 PolarHBondContact O-N 3.11Å; Y13-G15 VanDerWaalsContact O-N 3.15Å; Y13-R16 PolarHBondContact N-O 3.2Å; Y13-R16 WeakPolarHBondContact O-CB 3.2Å; Y13-R16 PolarHBondContact O-N 3.48Å; Y13-V18 HydrophobicContact CD2-CB 4.2Å; Y13-V18 HydrophobicContact CD2-CG2 3.68Å; Y13-V18 HydrophobicContact CE2-CB 4.38Å; Y13-V18 HydrophobicContact CE2-CG2 4.26Å; Y13-T44 HydrophobicContact CE2-CG2 3.97Å
14K93.8Very high96.8Very high222 Ų22258.9 Ų58.997%0.96529%0.293SS*.THydrogen-bonded Turntrans49.142178.4-58.1-179.6179.6178.90112.7R16K14-R16 VanDerWaalsContact C-N 3.28Å; K14-R16 PolarHBondContact O-N 3.24Å
15G90.6Very high96.7Very high72 Ų7260.7 Ų60.774%0.74230%0.304SS*.THydrogen-bonded Turntrans83.4-15.7-178.500000115.6Y13Y13-G15 PolarHBondContact O-N 3.11Å; Y13-G15 VanDerWaalsContact O-N 3.15Å
16R94.4Very high96.7Very high186 Ų18659 Ų5970%0.70229%0.294SS*.EExtended strand (participates in β ladder)trans-82118.7173.5-176.5179.3179.9178.50.8109.9A12 Y13 K14A12-R16 CarbonylContact C-O 3.56Å; A12-R16 WeakPolarHBondContact CA-O 3.27Å; Y13-R16 PolarHBondContact N-O 3.2Å; Y13-R16 WeakPolarHBondContact O-CB 3.2Å; Y13-R16 PolarHBondContact O-N 3.48Å; K14-R16 VanDerWaalsContact C-N 3.28Å; K14-R16 PolarHBondContact O-N 3.24Å
17R95.4Very high96.7Very high166 Ų16661.5 Ų61.563%0.62631%0.307SS*.EExtended strand (participates in β ladder)trans-74.1125.8172.3-61.5-176.7-177.8-177.1-1.9110A12 E20A12-R17 HydrophobicContact CB-CG 4.29Å; R17-E20 HydrophobicContact CB-CG 3.6Å; R17-E20 WeakPolarHBondContact CB-OE1 3.46Å; R17-E20 WeakPolarHBondContact CD-OE1 3.49Å; R17-E20 WeakPolarHBondContact CD-OE2 3.45Å; R17-E20 HydrophobicContact CG-CG 4.25Å; R17-E20 IonicContact CZ-OE2 3.9Å; R17-E20 IonicContact NE-OE2 3.99Å; R17-E20 IonicContact NH1-OE2 3.93Å; R17-E20 PolarHBondContact NH1-OE2 3.39Å
18V96.8Very high96.7Very high29 Ų2957.6 Ų57.618%0.17629%0.293CS..EExtended strand (participates in β ladder)trans-109.2-36.7-179.1174.30000110.9K11 Y13 T44 G213K11-V18 PolarHBondContact O-N 3.18Å; Y13-V18 HydrophobicContact CD2-CB 4.2Å; Y13-V18 HydrophobicContact CD2-CG2 3.68Å; Y13-V18 HydrophobicContact CE2-CB 4.38Å; Y13-V18 HydrophobicContact CE2-CG2 4.26Å; V18-T44 HydrophobicContact CG1-CG2 4.12Å; V18-G213 VanDerWaalsContact O-CA 3.25Å; V18-G213 WeakPolarHBondContact O-CA 3.37Å
19V97.7Very high96.6Very high1 Ų155.9 Ų55.91%0.00629%0.293CS..EExtended strand (participates in β ladder)trans-127.6132.5168.8-1730000106.1L9 A10 K11 V22 T44 M48L9-V19 HydrophobicContact CB-CG1 4.37Å; L9-V19 WeakPolarHBondContact O-CG1 3.5Å; A10-V19 CarbonylContact C-O 3.47Å; A10-V19 VanDerWaalsContact CA-O 3.31Å; A10-V19 WeakPolarHBondContact CA-O 3.47Å; K11-V19 HydrophobicContact CB-CB 4.3Å; K11-V19 PolarHBondContact N-O 2.67Å; K11-V19 PolarHBondContact O-N 3.32Å; K11-V19 VanDerWaalsContact O-N 3.1Å; V19-V22 HydrophobicContact CG1-CB 3.77Å; V19-V22 HydrophobicContact CG1-CG2 3.52Å; V19-T44 HydrophobicContact CG2-CG2 3.72Å; V19-M48 HydrophobicContact CB-CE 3.88Å; V19-M48 HydrophobicContact CG1-CE 3.92Å; V19-M48 HydrophobicContact CG2-CE 3.77Å
20E96.5Very high96.6Very high68 Ų6857 Ų5732%0.31830%0.298SS..EExtended strand (participates in β ladder)trans-118.6-45.3-177.4-67.7-160.9-141.100112L9 A10 R17 G213 H214L9-E20 CarbonylContact O-C 3.58Å; A10-E20 WeakPolarHBondContact CB-O 3.32Å; R17-E20 HydrophobicContact CB-CG 3.6Å; R17-E20 WeakPolarHBondContact CB-OE1 3.46Å; R17-E20 WeakPolarHBondContact CD-OE1 3.49Å; R17-E20 WeakPolarHBondContact CD-OE2 3.45Å; R17-E20 HydrophobicContact CG-CG 4.25Å; R17-E20 IonicContact CZ-OE2 3.9Å; R17-E20 IonicContact NE-OE2 3.99Å; R17-E20 IonicContact NH1-OE2 3.93Å; R17-E20 PolarHBondContact NH1-OE2 3.39Å; E20-G213 PolarHBondContact N-O 2.72Å; E20-H214 VanDerWaalsContact CB-CE1 3.45Å; E20-H214 WeakPolarHBondContact CB-CE1 3.28Å; E20-H214 IonicContact OE1-CE1 3.93Å; E20-H214 IonicContact OE2-CE1 3.18Å
21D95.6Very high96.6Very high73 Ų7356.2 Ų56.239%0.3929%0.291SS..EExtended strand (participates in β ladder)trans-15484.5177.3-172.411.7000110.1N8 G213N8-D21 WeakPolarHBondContact CA-OD1 3.46Å; N8-D21 PolarHBondContact ND2-OD1 3.42Å; D21-G213 PolarHBondContact N-O 2.81Å
22V97.9Very high96.7Very high0 Ų055.2 Ų55.20%029%0.287CS..EExtended strand (participates in β ladder)trans-111.8118175.6174.20000110N8 L9 V19 L24 T45 V210 L215N8-V22 PolarHBondContact N-O 3.13Å; L9-V22 WeakPolarHBondContact CB-O 3.43Å; L9-V22 PolarHBondContact N-O 3.35Å; L9-V22 PolarHBondContact O-N 2.82Å; L9-V22 VanDerWaalsContact O-N 3.15Å; V19-V22 HydrophobicContact CG1-CB 3.77Å; V19-V22 HydrophobicContact CG1-CG2 3.52Å; V22-L24 HydrophobicContact CG1-CD2 4.32Å; V22-T45 HydrophobicContact CG1-CG2 3.97Å; V22-V210 HydrophobicContact CG2-CG2 3.94Å; V22-L215 HydrophobicContact CG1-CD1 4.44Å; V22-L215 HydrophobicContact CG1-CD2 4.05Å; V22-L215 HydrophobicContact CG1-CG 4.24Å; V22-L215 HydrophobicContact CG2-CD2 4.43Å; V22-L215 HydrophobicContact CG2-CG 4.44Å
23S98.2Very high96.7Very high41 Ų4153.6 Ų53.629%0.28727%0.274SS..EExtended strand (participates in β ladder)trans-121.9113.5176.4-62.80000110.8A6 N8 L215A6-S23 CarbonylContact O-C 3.6Å; A6-S23 WeakPolarHBondContact O-CA 3.43Å; N8-S23 PolarHBondContact N-OG 3.34Å; S23-L215 WeakPolarHBondContact O-CD1 3.32Å
24L98.1Very high96.8Very high1 Ų149.3 Ų49.31%0.00526%0.257CS..EExtended strand (participates in β ladder)trans-132.6156.9178.361.681000110.9A6 V22 V26 L34 T45 L191 Y208A6-L24 HydrophobicContact CB-CD1 3.93Å; A6-L24 HydrophobicContact CB-CG 3.98Å; A6-L24 PolarHBondContact N-O 3.19Å; A6-L24 PolarHBondContact O-N 2.77Å; V22-L24 HydrophobicContact CG1-CD2 4.32Å; L24-V26 HydrophobicContact CD1-CG2 4.29Å; L24-L34 HydrophobicContact CD2-CD1 4.12Å; L24-L34 HydrophobicContact CD2-CD2 4Å; L24-L34 HydrophobicContact CD2-CG 4.49Å; L24-T45 HydrophobicContact CD2-CG2 4Å; L24-L191 HydrophobicContact CD1-CD1 4.47Å; L24-L191 HydrophobicContact CD1-CD2 4.04Å; L24-L191 HydrophobicContact CD2-CD1 4.45Å; L24-L191 HydrophobicContact CD2-CD2 4.28Å; L24-Y208 HydrophobicContact CB-CD2 3.76Å; L24-Y208 HydrophobicContact CB-CE1 4.5Å; L24-Y208 HydrophobicContact CB-CE2 3.57Å; L24-Y208 HydrophobicContact CB-CG 4.29Å
25T98.1Very high97Very high39 Ų3938.7 Ų38.724%0.23921%0.211CC..EExtended strand (participates in β ladder)trans-135.8146.1174.7-63.80000108.9T3 L4 T5 R206 Y208T3-T25 HydrophobicContact CG2-CG2 3.26Å; L4-T25 CarbonylContact O-C 3.54Å; L4-T25 VanDerWaalsContact O-CA 3.27Å; L4-T25 WeakPolarHBondContact O-CA 3.46Å; T5-T25 PolarHBondContact OG1-OG1 3.19Å; T25-R206 PolarHBondContact O-NH1 2.97Å; T25-R206 PolarHBondContact O-NH2 2.85Å; T25-Y208 PolarHBondContact N-OH 3.25Å
26V98.3Very high97.2Very high1 Ų135.3 Ų35.31%0.00618%0.176CC..EExtended strand (participates in β ladder)trans-137.2122.2176.6-173.60000107.5T3 L4 L24 V32 F158 L191T3-V26 CarbonylContact C-O 3.51Å; L4-V26 PolarHBondContact N-O 3.1Å; L4-V26 PolarHBondContact O-N 3.03Å; L24-V26 HydrophobicContact CD1-CG2 4.29Å; V26-V32 HydrophobicContact CB-CG2 4.35Å; V26-V32 HydrophobicContact CG1-CB 4.46Å; V26-V32 HydrophobicContact CG1-CG2 4.07Å; V26-V32 HydrophobicContact CG2-CB 3.99Å; V26-V32 HydrophobicContact CG2-CG1 4.35Å; V26-V32 HydrophobicContact CG2-CG2 4.09Å; V26-F158 HydrophobicContact CG1-CD1 4.32Å; V26-F158 WeakPolarHBondContact O-CE1 3.43Å; V26-L191 HydrophobicContact CG2-CB 4.09Å; V26-L191 HydrophobicContact CG2-CD1 3.91Å; V26-L191 HydrophobicContact CG2-CG 4.4Å
27N98Very high97.1Very high53 Ų5328.4 Ų28.428%0.28316%0.155SC..EExtended strand (participates in β ladder)trans-92.2156.6174.9-57-61.4000110A2 T3 G29 E30 G189A2-N27 CarbonylContact O-C 3.46Å; A2-N27 WeakPolarHBondContact O-CA 3.46Å; T3-N27 VanDerWaalsContact CG2-OD1 3.32Å; T3-N27 WeakPolarHBondContact CG2-OD1 3.42Å; T3-N27 PolarHBondContact OG1-OD1 3.26Å; N27-G29 PolarHBondContact O-N 2.96Å; N27-E30 WeakPolarHBondContact CA-OE1 3.45Å; N27-E30 HydrophobicContact CB-CG 4.05Å; N27-E30 WeakPolarHBondContact CB-OE1 3.02Å; N27-E30 VanDerWaalsContact CG-OE1 3.3Å; N27-E30 PolarHBondContact N-OE1 2.92Å; N27-E30 PolarHBondContact ND2-OE1 3.09Å; N27-E30 VanDerWaalsContact O-CG 3.25Å; N27-E30 WeakPolarHBondContact O-CG 3.31Å; N27-G189 WeakPolarHBondContact O-CA 2.93Å
28S96.1Very high96.8Very high25 Ų2527 Ų2718%0.17516%0.16CC..THydrogen-bonded Turntrans-57.2134165.3-67.10000110.5A2 G187A2-S28 WeakPolarHBondContact CB-OG 3.2Å; A2-S28 PolarHBondContact N-OG 3.27Å; A2-S28 PolarHBondContact O-N 3.47Å; A2-S28 PolarHBondContact O-OG 3.49Å; S28-G187 VanDerWaalsContact CB-O 3.27Å; S28-G187 WeakPolarHBondContact CB-O 3.3Å
29G96.8Very high96.5Very high35 Ų3529 Ų2936%0.36119%0.186SC..THydrogen-bonded Turntrans82.120.3177.700000114.8N27 R184 G187 L188N27-G29 PolarHBondContact O-N 2.96Å; G29-R184 VanDerWaalsContact C-CG 3.44Å; G29-R184 VanDerWaalsContact O-CG 3.23Å; G29-R184 WeakPolarHBondContact O-CG 3.37Å; G29-G187 PolarHBondContact N-O 3.2Å; G29-L188 WeakPolarHBondContact CA-O 3.47Å; G29-L188 PolarHBondContact N-O 3.17Å
30E97.9Very high96.3Very high23 Ų2329 Ų2911%0.10719%0.186CC..  trans-135159.116963170.8163.700111.9N27 V32 V190 R206N27-E30 WeakPolarHBondContact CA-OE1 3.45Å; N27-E30 HydrophobicContact CB-CG 4.05Å; N27-E30 WeakPolarHBondContact CB-OE1 3.02Å; N27-E30 VanDerWaalsContact CG-OE1 3.3Å; N27-E30 PolarHBondContact N-OE1 2.92Å; N27-E30 PolarHBondContact ND2-OE1 3.09Å; N27-E30 VanDerWaalsContact O-CG 3.25Å; N27-E30 WeakPolarHBondContact O-CG 3.31Å; E30-V32 HydrophobicContact CG-CG2 4.01Å; E30-V190 PolarHBondContact O-N 3.22Å; E30-R206 IonicContact OE1-CZ 2.77Å; E30-R206 IonicContact OE1-NE 3.9Å; E30-R206 IonicContact OE1-NH2 3.04Å; E30-R206 PolarHBondContact OE1-NH2 2.84Å; E30-R206 IonicContact OE2-CZ 2.56Å; E30-R206 IonicContact OE2-NE 3.8Å; E30-R206 PolarHBondContact OE2-NE 3.19Å; E30-R206 IonicContact OE2-NH2 2.85Å; E30-R206 PolarHBondContact OE2-NH2 3.27Å
31I98.7Very high96.2Very high0 Ų026 Ų260%017%0.173CC..EExtended strand (participates in β ladder)trans-112.7116.6173.6-56.1159.1000108.1I180 R184 V190 I192 V203 C204 E205I31-I180 HydrophobicContact CD1-CG2 3.74Å; I31-I180 HydrophobicContact CG1-CG2 4.12Å; I31-I180 HydrophobicContact CG2-CG2 4.23Å; I31-R184 HydrophobicContact CD1-CB 3.81Å; I31-R184 HydrophobicContact CD1-CG 4.33Å; I31-R184 VanDerWaalsContact CD1-NH1 3.31Å; I31-R184 HydrophobicContact CG1-CB 3.73Å; I31-R184 HydrophobicContact CG1-CG 4.12Å; I31-V190 WeakPolarHBondContact CA-O 3.2Å; I31-V190 HydrophobicContact CB-CB 4.27Å; I31-V190 HydrophobicContact CG1-CB 3.9Å; I31-V190 HydrophobicContact CG1-CG2 4.08Å; I31-V190 HydrophobicContact CG2-CB 4.21Å; I31-V190 HydrophobicContact CG2-CG1 4.19Å; I31-I192 HydrophobicContact CG2-CG2 3.78Å; I31-V203 HydrophobicContact CD1-CB 4.34Å; I31-V203 WeakPolarHBondContact CD1-O 3.25Å; I31-V203 HydrophobicContact CG2-CG2 4.28Å; I31-C204 HydrophobicContact CG2-CB 4.48Å; I31-C204 WeakPolarHBondContact O-CA 3.32Å; I31-E205 VanDerWaalsContact CA-OE2 3.31Å; I31-E205 WeakPolarHBondContact CA-OE2 3.25Å; I31-E205 WeakPolarHBondContact CB-OE2 3.17Å; I31-E205 PolarHBondContact N-OE2 3.32Å; I31-E205 PolarHBondContact O-N 2.99Å; I31-E205 VanDerWaalsContact O-N 3.08Å; I31-E205 VanDerWaalsContact O-OE2 3.05Å
32V98.6Very high96.2Very high0 Ų023 Ų230%016%0.157CC..EExtended strand (participates in β ladder)trans-112.6125.1-178.8179.70000109.4V26 E30 V190 L191 I192 R206 Y208V26-V32 HydrophobicContact CB-CG2 4.35Å; V26-V32 HydrophobicContact CG1-CB 4.46Å; V26-V32 HydrophobicContact CG1-CG2 4.07Å; V26-V32 HydrophobicContact CG2-CB 3.99Å; V26-V32 HydrophobicContact CG2-CG1 4.35Å; V26-V32 HydrophobicContact CG2-CG2 4.09Å; E30-V32 HydrophobicContact CG-CG2 4.01Å; V32-V190 PolarHBondContact N-O 2.78Å; V32-L191 HydrophobicContact CB-CD1 4.24Å; V32-L191 HydrophobicContact CG1-CD1 4.13Å; V32-L191 WeakPolarHBondContact O-CA 3.32Å; V32-L191 WeakPolarHBondContact O-CD1 3.42Å; V32-I192 PolarHBondContact O-N 3.28Å; V32-R206 WeakPolarHBondContact CA-O 3.24Å; V32-R206 HydrophobicContact CG2-CG 4.17Å; V32-Y208 HydrophobicContact CG1-CD2 3.63Å; V32-Y208 HydrophobicContact CG1-CE2 3.61Å
33G98.3Very high96.1Very high0 Ų024.7 Ų24.70%017%0.167CC..EExtended strand (participates in β ladder)trans-81.1137.4171.800000112.2I192 C204 R206 A207 Y208G33-I192 CarbonylContact C-O 3.37Å; G33-I192 WeakPolarHBondContact CA-O 3.42Å; G33-C204 PolarHBondContact N-SG 3.23Å; G33-R206 PolarHBondContact N-O 3.31Å; G33-A207 CarbonylContact O-C 3.56Å; G33-A207 VanDerWaalsContact O-CA 3.26Å; G33-A207 WeakPolarHBondContact O-CA 3.16Å; G33-Y208 PolarHBondContact O-N 3.49Å
34L98.2Very high96Very high0 Ų023.8 Ų23.80%016%0.16CC..EExtended strand (participates in β ladder)trans-114.698.5159.318066.1000107.7L24 K42 T45 F46 L191 I192 T193 V210 L215L24-L34 HydrophobicContact CD2-CD1 4.12Å; L24-L34 HydrophobicContact CD2-CD2 4Å; L24-L34 HydrophobicContact CD2-CG 4.49Å; L34-K42 HydrophobicContact CD2-CB 4.47Å; L34-K42 HydrophobicContact CG-CG 4.49Å; L34-K42 WeakPolarHBondContact O-CD 3.49Å; L34-T45 HydrophobicContact CD2-CG2 3.88Å; L34-F46 HydrophobicContact CB-CE2 4.2Å; L34-F46 HydrophobicContact CD2-CD2 4.08Å; L34-F46 HydrophobicContact CD2-CE2 3.86Å; L34-L191 HydrophobicContact CB-CD1 4.23Å; L34-I192 PolarHBondContact N-O 3.02Å; L34-T193 VanDerWaalsContact O-CB 3.25Å; L34-T193 WeakPolarHBondContact O-CB 3.33Å; L34-T193 PolarHBondContact O-OG1 3.09Å; L34-V210 HydrophobicContact CD1-CB 4.15Å; L34-V210 HydrophobicContact CD1-CG1 4.01Å; L34-V210 HydrophobicContact CG-CG1 4.28Å; L34-L215 HydrophobicContact CD1-CD2 4.22Å
35L96.8Very high96Very high0 Ų023.8 Ų23.80%016%0.16CC..EExtended strand (participates in β ladder)trans-116.4164.8-170.1-51.9178.1000111.4V197 T200 L201 A207 Y208 I209 V210 Y234L35-V197 HydrophobicContact CD1-CG1 4.19Å; L35-T200 HydrophobicContact CD2-CG2 3.73Å; L35-L201 HydrophobicContact CD1-CD2 3.56Å; L35-L201 HydrophobicContact CD1-CG 3.77Å; L35-A207 HydrophobicContact CD1-CB 4.15Å; L35-A207 HydrophobicContact CG-CB 4.48Å; L35-Y208 PolarHBondContact N-O 3.11Å; L35-I209 HydrophobicContact CB-CD1 3.81Å; L35-I209 HydrophobicContact CD1-CD1 4.49Å; L35-I209 CarbonylContact O-C 3.57Å; L35-I209 VanDerWaalsContact O-CA 3.32Å; L35-I209 WeakPolarHBondContact O-CA 3.4Å; L35-V210 WeakPolarHBondContact O-CG1 3.31Å; L35-V210 PolarHBondContact O-N 3.39Å; L35-Y234 HydrophobicContact CB-CE1 3.84Å
36G94.7Very high96Very high1 Ų121.9 Ų21.91%0.0115%0.148CC..  trans149.3173-178.800000112.9K42 V210 Y234G36-K42 PolarHBondContact O-NZ 3Å; G36-V210 WeakPolarHBondContact CA-O 3.45Å; G36-Y234 VanDerWaalsContact C-CD2 3.49Å; G36-Y234 VanDerWaalsContact N-CZ 3.3Å; G36-Y234 PolarHBondContact N-OH 3.35Å; G36-Y234 VanDerWaalsContact O-CE2 3.26Å; G36-Y234 WeakPolarHBondContact O-CE2 3.36Å
37P92.1Very high96Very high40 Ų4025.4 Ų25.426%0.2616%0.162SC..SBendtrans-63.7165.8-176.724.6-32.3000112.8G39 A40 K42 V210 Y234P37-G39 PolarHBondContact O-N 3.3Å; P37-A40 HydrophobicContact CG-CB 4.15Å; P37-A40 WeakPolarHBondContact O-CB 3.4Å; P37-A40 PolarHBondContact O-N 2.94Å; P37-A40 VanDerWaalsContact O-N 3.17Å; P37-K42 PolarHBondContact O-NZ 3.11Å; P37-V210 WeakPolarHBondContact CD-O 3.36Å; P37-Y234 HydrophobicContact CB-CD2 4.41Å
38N89.8Confident96Very high138 Ų13822.9 Ų22.974%0.73815%0.149SC*.THydrogen-bonded Turntrans-61.1138.9173.2-72.8-13.3000110.4A40N38-A40 PolarHBondContact O-N 3.38Å
39G90.3Very high96Very high69 Ų6921.8 Ų21.871%0.71114%0.141SC*.THydrogen-bonded Turntrans74.86.9-175.700000115.2P37 G41P37-G39 PolarHBondContact O-N 3.3Å; G39-G41 PolarHBondContact O-N 2.82Å
40A93Very high96.1Very high3 Ų320.5 Ų20.53%0.02513%0.126CC..SBendtrans-69.5-13.8177.300000114.9P37 N38 V210 G213P37-A40 HydrophobicContact CG-CB 4.15Å; P37-A40 WeakPolarHBondContact O-CB 3.4Å; P37-A40 PolarHBondContact O-N 2.94Å; P37-A40 VanDerWaalsContact O-N 3.17Å; N38-A40 PolarHBondContact O-N 3.38Å; A40-V210 HydrophobicContact CB-CG1 3.93Å; A40-V210 VanDerWaalsContact CB-O 3.27Å; A40-V210 WeakPolarHBondContact CB-O 3.46Å; A40-V210 WeakPolarHBondContact O-CG2 3.38Å; A40-G213 PolarHBondContact O-N 3.02Å; A40-G213 VanDerWaalsContact O-N 3.1Å
41G95Very high96Very high4 Ų420.2 Ų20.24%0.04113%0.129CC..SBendtrans106.67.6-179.500000115.4G39 T44 T45G39-G41 PolarHBondContact O-N 2.82Å; G41-T44 PolarHBondContact O-N 3.01Å; G41-T45 WeakPolarHBondContact O-CB 3.47Å; G41-T45 PolarHBondContact O-N 2.88Å; G41-T45 PolarHBondContact O-OG1 3.11Å
42K95.7Very high95.9Very high10 Ų1023.8 Ų23.84%0.04315%0.147CC..Hα-helixtrans-53.7-63.4179.6-55.4-173.7-56-84.40113L34 G36 P37 T44 T45 F46 T193 V210L34-K42 HydrophobicContact CD2-CB 4.47Å; L34-K42 HydrophobicContact CG-CG 4.49Å; L34-K42 WeakPolarHBondContact O-CD 3.49Å; G36-K42 PolarHBondContact O-NZ 3Å; P37-K42 PolarHBondContact O-NZ 3.11Å; K42-T44 VanDerWaalsContact C-N 3.28Å; K42-T44 PolarHBondContact O-N 3.2Å; K42-T45 WeakPolarHBondContact O-CA 3.41Å; K42-T45 VanDerWaalsContact O-CB 3.27Å; K42-T45 WeakPolarHBondContact O-CB 3.43Å; K42-T45 PolarHBondContact O-N 3.49Å; K42-F46 WeakPolarHBondContact O-CD2 3.32Å; K42-F46 PolarHBondContact O-N 3.32Å; K42-T193 WeakPolarHBondContact CD-OG1 3.33Å; K42-T193 VanDerWaalsContact CE-OG1 3.28Å; K42-T193 WeakPolarHBondContact CE-OG1 3.28Å; K42-V210 HydrophobicContact CD-CG1 4.34Å; K42-V210 HydrophobicContact CG-CG1 3.49Å; K42-V210 VanDerWaalsContact CG-CG1 3.49Å
43T95.2Very high95.8Very high36 Ų3624.9 Ų24.922%0.22115%0.154CC..Hα-helixtrans-59.7-36.9178.3-49.60000112.4T45 F46 Y47 D162T43-T45 VanDerWaalsContact C-N 3.34Å; T43-T45 PolarHBondContact O-N 3.27Å; T43-F46 WeakPolarHBondContact O-CB 3.46Å; T43-F46 PolarHBondContact O-N 2.89Å; T43-Y47 HydrophobicContact CG2-CD1 4.07Å; T43-Y47 HydrophobicContact CG2-CE1 3.48Å; T43-Y47 VanDerWaalsContact CG2-CE1 3.48Å; T43-Y47 HydrophobicContact CG2-CE2 4.14Å; T43-Y47 VanDerWaalsContact O-CD1 3.3Å; T43-Y47 WeakPolarHBondContact O-CD1 3.39Å; T43-Y47 PolarHBondContact O-N 2.67Å; T43-D162 WeakPolarHBondContact CG2-OD2 3.44Å
44T96.6Very high95.6Very high22 Ų2229.2 Ų29.214%0.13518%0.182CC..Hα-helixtrans-65.7-37.8175.7-61.60000111.8K11 Y13 V18 V19 G41 K42 Y47 M48K11-T44 HydrophobicContact CB-CG2 3.86Å; K11-T44 HydrophobicContact CG-CG2 3.86Å; Y13-T44 HydrophobicContact CE2-CG2 3.97Å; V18-T44 HydrophobicContact CG1-CG2 4.12Å; V19-T44 HydrophobicContact CG2-CG2 3.72Å; G41-T44 PolarHBondContact O-N 3.01Å; K42-T44 VanDerWaalsContact C-N 3.28Å; K42-T44 PolarHBondContact O-N 3.2Å; T44-Y47 PolarHBondContact O-N 2.99Å; T44-M48 HydrophobicContact CG2-CE 4.24Å; T44-M48 WeakPolarHBondContact O-CG 3.44Å; T44-M48 PolarHBondContact O-N 3.03Å
45T97.8Very high95.5Very high0 Ų032 Ų320%019%0.193CC..Hα-helixtrans-62.5-46.5173.1-570000110.4L9 V22 L24 L34 G41 K42 T43 Y47 M48 V49L9-T45 HydrophobicContact CD1-CG2 4.06Å; V22-T45 HydrophobicContact CG1-CG2 3.97Å; L24-T45 HydrophobicContact CD2-CG2 4Å; L34-T45 HydrophobicContact CD2-CG2 3.88Å; G41-T45 WeakPolarHBondContact O-CB 3.47Å; G41-T45 PolarHBondContact O-N 2.88Å; G41-T45 PolarHBondContact O-OG1 3.11Å; K42-T45 WeakPolarHBondContact O-CA 3.41Å; K42-T45 VanDerWaalsContact O-CB 3.27Å; K42-T45 WeakPolarHBondContact O-CB 3.43Å; K42-T45 PolarHBondContact O-N 3.49Å; T43-T45 VanDerWaalsContact C-N 3.34Å; T43-T45 PolarHBondContact O-N 3.27Å; T45-Y47 PolarHBondContact O-N 3.45Å; T45-M48 PolarHBondContact O-N 2.56Å; T45-V49 WeakPolarHBondContact O-CG2 3.35Å; T45-V49 PolarHBondContact O-N 3.5Å
46F98Very high95.5Very high0 Ų036.2 Ų36.20%022%0.215CC..Hα-helixtrans-58-48.3175.4-85.9-130.8000111.6L34 K42 T43 M48 V49 V50 Y82 L160 D162 L191 T193L34-F46 HydrophobicContact CB-CE2 4.2Å; L34-F46 HydrophobicContact CD2-CD2 4.08Å; L34-F46 HydrophobicContact CD2-CE2 3.86Å; K42-F46 WeakPolarHBondContact O-CD2 3.32Å; K42-F46 PolarHBondContact O-N 3.32Å; T43-F46 WeakPolarHBondContact O-CB 3.46Å; T43-F46 PolarHBondContact O-N 2.89Å; F46-M48 VanDerWaalsContact C-N 3.28Å; F46-M48 PolarHBondContact O-N 2.85Å; F46-V49 PolarHBondContact O-N 3.49Å; F46-V49 VanDerWaalsContact O-N 3.08Å; F46-V50 WeakPolarHBondContact O-CG2 3.44Å; F46-V50 PolarHBondContact O-N 3.09Å; F46-Y82 HydrophobicContact CD1-CE2 4.14Å; F46-L160 HydrophobicContact CB-CD2 4.43Å; F46-L160 HydrophobicContact CD1-CB 3.88Å; F46-L160 HydrophobicContact CD1-CD2 4.03Å; F46-L160 HydrophobicContact CD1-CG 4.2Å; F46-L160 HydrophobicContact CE1-CB 3.84Å; F46-L160 HydrophobicContact CE1-CD2 4.46Å; F46-L160 HydrophobicContact CE1-CG 4.18Å; F46-L160 HydrophobicContact CG-CD2 4.15Å; F46-D162 HydrophobicContact CD1-CB 3.97Å; F46-D162 HydrophobicContact CE1-CB 4.24Å; F46-L191 HydrophobicContact CD2-CD2 4.34Å; F46-L191 HydrophobicContact CE2-CD2 3.77Å; F46-L191 HydrophobicContact CE2-CG 3.81Å; F46-L191 HydrophobicContact CZ-CB 4.43Å; F46-L191 HydrophobicContact CZ-CD2 4.05Å; F46-L191 HydrophobicContact CZ-CG 3.7Å; F46-T193 HydrophobicContact CD1-CG2 4.26Å; F46-T193 HydrophobicContact CD2-CG2 4.33Å; F46-T193 HydrophobicContact CE1-CG2 3.72Å; F46-T193 HydrophobicContact CE2-CG2 3.8Å; F46-T193 HydrophobicContact CZ-CG2 3.47Å; F46-T193 VanDerWaalsContact CZ-CG2 3.47Å
47Y97.5Very high95.7Very high75 Ų7538.3 Ų38.329%0.29423%0.232SC..Hα-helixtrans-62.8-35.5-180-73.510.5000112.5T43 T44 T45 G51 I52 V53 Y82T43-Y47 HydrophobicContact CG2-CD1 4.07Å; T43-Y47 HydrophobicContact CG2-CE1 3.48Å; T43-Y47 VanDerWaalsContact CG2-CE1 3.48Å; T43-Y47 HydrophobicContact CG2-CE2 4.14Å; T43-Y47 VanDerWaalsContact O-CD1 3.3Å; T43-Y47 WeakPolarHBondContact O-CD1 3.39Å; T43-Y47 PolarHBondContact O-N 2.67Å; T44-Y47 PolarHBondContact O-N 2.99Å; T45-Y47 PolarHBondContact O-N 3.45Å; Y47-G51 PolarHBondContact O-N 3.32Å; Y47-I52 HydrophobicContact CD1-CD1 3.9Å; Y47-I52 HydrophobicContact CD2-CG2 4.05Å; Y47-I52 HydrophobicContact CE1-CD1 4.23Å; Y47-I52 HydrophobicContact CG-CB 4.17Å; Y47-I52 HydrophobicContact CG-CD1 4.29Å; Y47-I52 HydrophobicContact CG-CG2 4.16Å; Y47-I52 PolarHBondContact O-N 2.96Å; Y47-V53 HydrophobicContact CD2-CG2 4.49Å; Y47-V53 PolarHBondContact O-N 3.35Å; Y47-Y82 VanDerWaalsContact CE1-OH 3.26Å; Y47-Y82 WeakPolarHBondContact CE1-OH 3.49Å
48M98Very high95.9Very high0 Ų037 Ų370%023%0.227CC..Hα-helixtrans-65.6-44.7172.5-76.4-172.7-67.500111.6L9 K11 V19 T44 T45 F46 G51 V53 R55 I60 R75L9-M48 HydrophobicContact CB-CE 3.9Å; L9-M48 HydrophobicContact CB-SD 4.47Å; L9-M48 HydrophobicContact CD1-CB 4.31Å; L9-M48 HydrophobicContact CD1-CE 4.17Å; K11-M48 HydrophobicContact CB-CE 4.13Å; K11-M48 HydrophobicContact CB-SD 3.78Å; V19-M48 HydrophobicContact CB-CE 3.88Å; V19-M48 HydrophobicContact CG1-CE 3.92Å; V19-M48 HydrophobicContact CG2-CE 3.77Å; T44-M48 HydrophobicContact CG2-CE 4.24Å; T44-M48 WeakPolarHBondContact O-CG 3.44Å; T44-M48 PolarHBondContact O-N 3.03Å; T45-M48 PolarHBondContact O-N 2.56Å; F46-M48 VanDerWaalsContact C-N 3.28Å; F46-M48 PolarHBondContact O-N 2.85Å; M48-G51 PolarHBondContact O-N 2.92Å; M48-V53 WeakPolarHBondContact CA-O 3.38Å; M48-V53 HydrophobicContact CG-CG1 4.2Å; M48-R55 HydrophobicContact CG-CB 4.31Å; M48-R55 HydrophobicContact SD-CB 3.77Å; M48-I60 WeakPolarHBondContact O-CD1 3.37Å; M48-R75 PolarHBondContact O-NH1 3.1Å
49V98Very high96.3Very high1 Ų133.2 Ų33.21%0.00621%0.206CC..Hα-helixtrans-64.9-43.2179.5174.20000112.1L4 A6 L9 T45 F46 G51 I60 R75 I80 L160L4-V49 HydrophobicContact CD1-CG1 4.35Å; L4-V49 HydrophobicContact CD2-CG1 4Å; A6-V49 HydrophobicContact CB-CG2 4.07Å; L9-V49 HydrophobicContact CD1-CG2 4.1Å; T45-V49 WeakPolarHBondContact O-CG2 3.35Å; T45-V49 PolarHBondContact O-N 3.5Å; F46-V49 PolarHBondContact O-N 3.49Å; F46-V49 VanDerWaalsContact O-N 3.08Å; V49-G51 VanDerWaalsContact C-N 3.32Å; V49-G51 PolarHBondContact O-N 2.88Å; V49-I60 HydrophobicContact CG1-CG2 4.4Å; V49-R75 VanDerWaalsContact C-NH1 3.33Å; V49-R75 PolarHBondContact O-NH1 3.5Å; V49-I80 HydrophobicContact CG1-CD1 4.35Å; V49-L160 HydrophobicContact CB-CD2 3.88Å; V49-L160 HydrophobicContact CG1-CD1 4.41Å; V49-L160 HydrophobicContact CG1-CD2 3.65Å
50V97.3Very high96.7Very high8 Ų830 Ų305%0.04817%0.172CC..Hα-helixtrans-73.1-24.6178179.40000112.3F46 I52 L72 R75 I80 Y82 L160F46-V50 WeakPolarHBondContact O-CG2 3.44Å; F46-V50 PolarHBondContact O-N 3.09Å; V50-I52 HydrophobicContact CB-CG1 4.43Å; V50-I52 HydrophobicContact CG1-CD1 4.22Å; V50-I52 HydrophobicContact CG1-CG1 4.09Å; V50-L72 HydrophobicContact CG1-CD1 4.01Å; V50-L72 HydrophobicContact CG1-CG 4.1Å; V50-R75 WeakPolarHBondContact O-CD 3.48Å; V50-I80 HydrophobicContact CG2-CG2 4.37Å; V50-Y82 HydrophobicContact CG1-CD1 4.15Å; V50-Y82 HydrophobicContact CG1-CG 4.16Å; V50-Y82 HydrophobicContact CG2-CD1 4.32Å; V50-Y82 HydrophobicContact CG2-CD2 3.77Å; V50-Y82 HydrophobicContact CG2-CE2 4.41Å; V50-Y82 HydrophobicContact CG2-CG 3.72Å; V50-L160 HydrophobicContact CG2-CD2 3.71Å
51G97Very high96.9Very high17 Ų1731.7 Ų31.718%0.17518%0.181CC..THydrogen-bonded Turntrans87.822.7-178.200000114.1Y47 M48 V49 R75Y47-G51 PolarHBondContact O-N 3.32Å; M48-G51 PolarHBondContact O-N 2.92Å; V49-G51 VanDerWaalsContact C-N 3.32Å; V49-G51 PolarHBondContact O-N 2.88Å; G51-R75 VanDerWaalsContact CA-CZ 3.5Å
52I96.1Very high97.1Very high75 Ų7532 Ų3239%0.38518%0.181SC..SBendtrans-71.7-39.4169-66170.9000110Y47 V50 L72 Y82Y47-I52 HydrophobicContact CD1-CD1 3.9Å; Y47-I52 HydrophobicContact CD2-CG2 4.05Å; Y47-I52 HydrophobicContact CE1-CD1 4.23Å; Y47-I52 HydrophobicContact CG-CB 4.17Å; Y47-I52 HydrophobicContact CG-CD1 4.29Å; Y47-I52 HydrophobicContact CG-CG2 4.16Å; Y47-I52 PolarHBondContact O-N 2.96Å; V50-I52 HydrophobicContact CB-CG1 4.43Å; V50-I52 HydrophobicContact CG1-CD1 4.22Å; V50-I52 HydrophobicContact CG1-CG1 4.09Å; I52-L72 HydrophobicContact CD1-CD1 4.41Å; I52-L72 HydrophobicContact CG1-CD1 3.52Å; I52-Y82 HydrophobicContact CD1-CD1 4.19Å; I52-Y82 HydrophobicContact CD1-CE1 3.7Å
53V95.9Very high97Very high23 Ų2334.9 Ų34.914%0.13920%0.198CC..SBendtrans-121.5138.1177.8152.60000109.7K11 Y47 M48K11-V53 HydrophobicContact CD-CG1 3.79Å; K11-V53 HydrophobicContact CG-CG1 4.33Å; Y47-V53 HydrophobicContact CD2-CG2 4.49Å; Y47-V53 PolarHBondContact O-N 3.35Å; M48-V53 WeakPolarHBondContact CA-O 3.38Å; M48-V53 HydrophobicContact CG-CG1 4.2Å
54P95.4Very high96.8Very high91 Ų9141.1 Ų41.159%0.59123%0.23SC*.  trans-70.5138.8172.729.4-34000110.4K11K11-P54 VanDerWaalsContact CD-O 3.29Å; K11-P54 WeakPolarHBondContact CD-O 3.37Å; K11-P54 WeakPolarHBondContact CE-O 3.37Å; K11-P54 PolarHBondContact NZ-O 3.15Å
55R95.8Very high96.8Very high60 Ų6043 Ų4323%0.22624%0.239CC..  trans-70.4147.316755154.2-178.489.5-14.9111.2L9 M48 A57 G58 S68L9-R55 HydrophobicContact CD2-CB 4.4Å; M48-R55 HydrophobicContact CG-CB 4.31Å; M48-R55 HydrophobicContact SD-CB 3.77Å; R55-A57 WeakPolarHBondContact CD-O 3.23Å; R55-G58 WeakPolarHBondContact CD-O 3.22Å; R55-G58 PolarHBondContact NE-O 3.26Å; R55-G58 PolarHBondContact NH1-O 3.3Å; R55-G58 PolarHBondContact NH2-O 3.26Å; R55-S68 PolarHBondContact NE-OG 2.9Å; R55-S68 VanDerWaalsContact NE-OG 3.16Å; R55-S68 PolarHBondContact NH2-OG 3.19Å
56D97.3Very high96.8Very high87 Ų8746.3 Ų46.347%0.46526%0.257SS..SBendtrans-87.9-31.6171.7-59.1-15.3000110.7A10 K11 A12A10-D56 PolarHBondContact O-N 3.32Å; K11-D56 WeakPolarHBondContact CA-OD2 3.21Å; K11-D56 IonicContact NZ-OD1 3.72Å; K11-D56 PolarHBondContact NZ-OD1 3.41Å; A12-D56 PolarHBondContact N-OD2 3.36Å
57A97.5Very high96.8Very high45 Ų4546.3 Ų46.337%0.37226%0.257SS..EExtended strand (participates in β ladder)trans-148.9170.2173.400000111.8N8 A10 R55N8-A57 CarbonylContact O-C 3.6Å; A10-A57 HydrophobicContact CB-CB 3.86Å; A10-A57 PolarHBondContact N-O 3.22Å; A10-A57 PolarHBondContact O-N 2.91Å; R55-A57 WeakPolarHBondContact CD-O 3.23Å
58G97.6Very high96.7Very high14 Ų1443 Ų4314%0.14425%0.245CC..EExtended strand (participates in β ladder)trans92.6-173.3-179.100000113.8K7 N8 R55K7-G58 CarbonylContact O-C 3.5Å; K7-G58 WeakPolarHBondContact O-CA 3.39Å; N8-G58 WeakPolarHBondContact O-CA 3.34Å; N8-G58 PolarHBondContact O-N 2.83Å; R55-G58 WeakPolarHBondContact CD-O 3.22Å; R55-G58 PolarHBondContact NE-O 3.26Å; R55-G58 PolarHBondContact NH1-O 3.3Å; R55-G58 PolarHBondContact NH2-O 3.26Å
59N97.9Very high96.6Very high58 Ų5850.5 Ų50.531%0.3128%0.283SS..EExtended strand (participates in β ladder)trans-138.5151.4178.4-61.488.5000110.7A6 K7 I61 D66 S68A6-N59 WeakPolarHBondContact CA-O 3.49Å; K7-N59 PolarHBondContact N-O 2.87Å; K7-N59 PolarHBondContact O-N 3.1Å; N59-I61 HydrophobicContact CB-CD1 4.13Å; N59-I61 HydrophobicContact CB-CG1 4.11Å; N59-D66 PolarHBondContact ND2-OD2 3.43Å; N59-S68 WeakPolarHBondContact CA-OG 3.49Å
60I98.3Very high96.6Very high0 Ų052.9 Ų52.90%030%0.296CS..EExtended strand (participates in β ladder)trans-124116.8173.7-58.2155.8000106.3L4 T5 L9 M48 V49 D66 I67 S68 R75L4-I60 HydrophobicContact CD1-CG2 4.18Å; T5-I60 CarbonylContact O-C 3.51Å; T5-I60 WeakPolarHBondContact O-CA 3.35Å; L9-I60 HydrophobicContact CD2-CD1 4.28Å; L9-I60 HydrophobicContact CD2-CG1 3.86Å; M48-I60 WeakPolarHBondContact O-CD1 3.37Å; V49-I60 HydrophobicContact CG1-CG2 4.4Å; I60-D66 VanDerWaalsContact O-OD1 3.12Å; I60-I67 HydrophobicContact CB-CG1 4.25Å; I60-I67 HydrophobicContact CG2-CD1 3.9Å; I60-I67 HydrophobicContact CG2-CG1 3.79Å; I60-I67 VanDerWaalsContact O-CG1 3.24Å; I60-I67 WeakPolarHBondContact O-CG1 3.2Å; I60-I67 PolarHBondContact O-N 3.01Å; I60-S68 PolarHBondContact N-OG 3.36Å; I60-S68 PolarHBondContact O-N 3Å; I60-R75 VanDerWaalsContact CD1-NH1 3.34Å
61I98Very high96.5Very high39 Ų3955.6 Ų55.620%0.231%0.314CS..EExtended strand (participates in β ladder)trans-128135.2-167.2-53.1169.7000107.6T5 N59 D63 D65 D66T5-I61 PolarHBondContact N-O 3.01Å; T5-I61 PolarHBondContact O-N 3.33Å; N59-I61 HydrophobicContact CB-CD1 4.13Å; N59-I61 HydrophobicContact CB-CG1 4.11Å; I61-D63 WeakPolarHBondContact CG2-O 3.31Å; I61-D65 WeakPolarHBondContact CA-O 3.26Å; I61-D66 HydrophobicContact CG1-CB 4.48Å
62I97.1Very high96.5Very high10 Ų1058.6 Ų58.65%0.05133%0.325CS..EExtended strand (participates in β ladder)trans-109.4120.2162.5-66.5176.2000107T3 L4 D64 D65 I67 R78 I80 F158T3-I62 CarbonylContact O-C 3.53Å; T3-I62 WeakPolarHBondContact O-CA 3.37Å; L4-I62 HydrophobicContact CD1-CD1 4.47Å; L4-I62 HydrophobicContact CD1-CG1 3.77Å; I62-D64 PolarHBondContact O-N 3.1Å; I62-D65 PolarHBondContact N-O 2.99Å; I62-D65 PolarHBondContact O-N 3.42Å; I62-I67 HydrophobicContact CD1-CD1 3.83Å; I62-I67 HydrophobicContact CG1-CD1 3.96Å; I62-R78 HydrophobicContact CD1-CB 4.12Å; I62-I80 HydrophobicContact CD1-CD1 4.08Å; I62-I80 HydrophobicContact CD1-CG1 3.85Å; I62-F158 HydrophobicContact CD1-CD2 4.34Å; I62-F158 HydrophobicContact CD1-CE2 4.46Å; I62-F158 HydrophobicContact CG1-CE2 4.38Å; I62-F158 HydrophobicContact CG2-CE2 3.96Å
63D93.9Very high96.4Very high72 Ų7260 Ų6039%0.38533%0.33SS..THydrogen-bonded Turntrans55.9-106.6-171.6-54.4-40.3000110A2 T3 I61A2-D63 WeakPolarHBondContact CA-OD1 3.38Å; T3-D63 PolarHBondContact N-OD1 2.95Å; T3-D63 PolarHBondContact O-N 2.74Å; I61-D63 WeakPolarHBondContact CG2-O 3.31Å
64D92.3Very high96.4Very high167 Ų16759.6 Ų59.689%0.89333%0.329SS*.THydrogen-bonded Turntrans-110.82.8176.2-64.7-53.8000113.2I62I62-D64 PolarHBondContact O-N 3.1Å
65D96.3Very high96.4Very high61 Ų6155.5 Ų55.533%0.32630%0.302SS..EExtended strand (participates in β ladder)trans-97.7116.5-177.3-171.943.3000112.3I61 I62 I67 R78I61-D65 WeakPolarHBondContact CA-O 3.26Å; I62-D65 PolarHBondContact N-O 2.99Å; I62-D65 PolarHBondContact O-N 3.42Å; D65-I67 PolarHBondContact O-N 3.16Å; D65-R78 IonicContact OD2-CZ 3.65Å; D65-R78 IonicContact OD2-NH1 2.67Å; D65-R78 PolarHBondContact OD2-NH1 2.52Å; D65-R78 IonicContact OD2-NH2 3.63Å; D65-R78 PolarHBondContact OD2-NH2 3.47Å
66D97.6Very high96.4Very high70 Ų7054.6 Ų54.637%0.37431%0.307SS..EExtended strand (participates in β ladder)trans-77108.4176.3-170.6-14.7000110.9N59 I60 I61 S68N59-D66 PolarHBondContact ND2-OD2 3.43Å; I60-D66 VanDerWaalsContact O-OD1 3.12Å; I61-D66 HydrophobicContact CG1-CB 4.48Å; D66-S68 WeakPolarHBondContact OD1-CA 3.2Å; D66-S68 WeakPolarHBondContact OD1-CB 3.47Å; D66-S68 PolarHBondContact OD1-N 3.12Å; D66-S68 PolarHBondContact OD1-OG 2.83Å
67I97.3Very high96.2Very high0 Ų059.5 Ų59.50%032%0.319CS..  trans-97.88.2179.962.6163.9000112.9I60 I62 D65 L69 L70 R75 R78 I80I60-I67 HydrophobicContact CB-CG1 4.25Å; I60-I67 HydrophobicContact CG2-CD1 3.9Å; I60-I67 HydrophobicContact CG2-CG1 3.79Å; I60-I67 VanDerWaalsContact O-CG1 3.24Å; I60-I67 WeakPolarHBondContact O-CG1 3.2Å; I60-I67 PolarHBondContact O-N 3.01Å; I62-I67 HydrophobicContact CD1-CD1 3.83Å; I62-I67 HydrophobicContact CG1-CD1 3.96Å; D65-I67 PolarHBondContact O-N 3.16Å; I67-L69 PolarHBondContact O-N 2.92Å; I67-L69 VanDerWaalsContact O-N 3.12Å; I67-L70 HydrophobicContact CB-CD1 3.85Å; I67-L70 HydrophobicContact CB-CG 4.27Å; I67-L70 HydrophobicContact CG2-CD1 3.77Å; I67-L70 WeakPolarHBondContact O-CB 3.43Å; I67-L70 PolarHBondContact O-N 3.19Å; I67-R75 HydrophobicContact CB-CG 4.47Å; I67-R75 HydrophobicContact CD1-CB 4.46Å; I67-R75 HydrophobicContact CD1-CG 4.15Å; I67-R75 PolarHBondContact O-NE 3.4Å; I67-R75 VanDerWaalsContact O-NE 3.14Å; I67-R78 HydrophobicContact CG2-CG 4.1Å; I67-I80 HydrophobicContact CD1-CD1 3.48Å; I67-I80 VanDerWaalsContact CD1-CD1 3.48Å; I67-I80 HydrophobicContact CD1-CG1 4.49Å
68S96.9Very high96.1Very high6 Ų662.8 Ų62.84%0.04232%0.322CS..THydrogen-bonded Turntrans-52.9-35.9-173.4-69.30000115.3R55 N59 I60 D66 R75R55-S68 PolarHBondContact NE-OG 2.9Å; R55-S68 VanDerWaalsContact NE-OG 3.16Å; R55-S68 PolarHBondContact NH2-OG 3.19Å; N59-S68 WeakPolarHBondContact CA-OG 3.49Å; I60-S68 PolarHBondContact N-OG 3.36Å; I60-S68 PolarHBondContact O-N 3Å; D66-S68 WeakPolarHBondContact OD1-CA 3.2Å; D66-S68 WeakPolarHBondContact OD1-CB 3.47Å; D66-S68 PolarHBondContact OD1-N 3.12Å; D66-S68 PolarHBondContact OD1-OG 2.83Å; S68-R75 PolarHBondContact O-NH2 3.1Å
69L96Very high95.9Very high156 Ų15662.5 Ų62.582%0.81732%0.318SS*.THydrogen-bonded Turntrans-99.1-3.6-176.3-59.6-178.2000112.3I67I67-L69 PolarHBondContact O-N 2.92Å; I67-L69 VanDerWaalsContact O-N 3.12Å
70L97.1Very high95.9Very high51 Ų5160.1 Ų60.127%0.26731%0.306SS..SBendtrans-71139.5177.8-63.4-172.8000110.3I67 A74 R75 R78I67-L70 HydrophobicContact CB-CD1 3.85Å; I67-L70 HydrophobicContact CB-CG 4.27Å; I67-L70 HydrophobicContact CG2-CD1 3.77Å; I67-L70 WeakPolarHBondContact O-CB 3.43Å; I67-L70 PolarHBondContact O-N 3.19Å; L70-A74 HydrophobicContact CB-CB 4.05Å; L70-A74 HydrophobicContact CD1-CB 4.38Å; L70-R75 HydrophobicContact CB-CG 3.82Å; L70-R75 PolarHBondContact O-NE 3.28Å; L70-R75 PolarHBondContact O-NH2 2.89Å; L70-R78 HydrophobicContact CD1-CG 4.16Å
71P96Very high95.8Very high65 Ų6560.4 Ų60.442%0.42231%0.308SS..  trans-68.6161.7171.230.5-36.3000111.1H73 A74 R75P71-H73 WeakPolarHBondContact CG-CE1 3.33Å; P71-H73 PolarHBondContact O-N 3.21Å; P71-A74 HydrophobicContact CG-CB 3.94Å; P71-A74 WeakPolarHBondContact O-CB 2.98Å; P71-A74 PolarHBondContact O-N 3.05Å; P71-R75 PolarHBondContact O-N 2.87Å; P71-R75 VanDerWaalsContact O-N 3.1Å
72L95.6Very high95.8Very high80 Ų8060.7 Ų60.742%0.41931%0.307SS..Hα-helixtrans-44.1-52.6-177.7-176.6153.5000114.1V50 I52 A74 R75 A76V50-L72 HydrophobicContact CG1-CD1 4.01Å; V50-L72 HydrophobicContact CG1-CG 4.1Å; I52-L72 HydrophobicContact CD1-CD1 4.41Å; I52-L72 HydrophobicContact CG1-CD1 3.52Å; L72-A74 VanDerWaalsContact C-N 3.27Å; L72-A74 PolarHBondContact O-N 3.3Å; L72-R75 PolarHBondContact O-N 2.82Å; L72-R75 VanDerWaalsContact O-N 3.16Å; L72-A76 PolarHBondContact O-N 2.91Å
73H94.5Very high95.7Very high106 Ų10660.2 Ų60.249%0.49131%0.305SS..Hα-helixtrans-65.4-29.7-177.271.6-87.9000113P71 R77P71-H73 WeakPolarHBondContact CG-CE1 3.33Å; P71-H73 PolarHBondContact O-N 3.21Å; H73-R77 PolarHBondContact CD2-NH2 3.14Å; H73-R77 PolarHBondContact O-N 2.88Å
74A95.4Very high95.7Very high13 Ų1358.2 Ų58.211%0.10730%0.296CS..Hα-helixtrans-75-35.8176.400000110.8L70 P71 L72 R77 R78L70-A74 HydrophobicContact CB-CB 4.05Å; L70-A74 HydrophobicContact CD1-CB 4.38Å; P71-A74 HydrophobicContact CG-CB 3.94Å; P71-A74 WeakPolarHBondContact O-CB 2.98Å; P71-A74 PolarHBondContact O-N 3.05Å; L72-A74 VanDerWaalsContact C-N 3.27Å; L72-A74 PolarHBondContact O-N 3.3Å; A74-R77 PolarHBondContact O-N 2.95Å; A74-R78 WeakPolarHBondContact O-CG 3.41Å; A74-R78 PolarHBondContact O-N 2.89Å; A74-R78 VanDerWaalsContact O-N 3.15Å
75R96.7Very high95.6Very high6 Ų654 Ų542%0.02327%0.27CS..Hα-helixtrans-67.6-38.9172.5-61.7-171.8-168.8-170.67.2112.5M48 V49 V50 G51 I60 I67 S68 L70 P71 L72 R77 R78 G79 I80M48-R75 PolarHBondContact O-NH1 3.1Å; V49-R75 VanDerWaalsContact C-NH1 3.33Å; V49-R75 PolarHBondContact O-NH1 3.5Å; V50-R75 WeakPolarHBondContact O-CD 3.48Å; G51-R75 VanDerWaalsContact CA-CZ 3.5Å; I60-R75 VanDerWaalsContact CD1-NH1 3.34Å; I67-R75 HydrophobicContact CB-CG 4.47Å; I67-R75 HydrophobicContact CD1-CB 4.46Å; I67-R75 HydrophobicContact CD1-CG 4.15Å; I67-R75 PolarHBondContact O-NE 3.4Å; I67-R75 VanDerWaalsContact O-NE 3.14Å; S68-R75 PolarHBondContact O-NH2 3.1Å; L70-R75 HydrophobicContact CB-CG 3.82Å; L70-R75 PolarHBondContact O-NE 3.28Å; L70-R75 PolarHBondContact O-NH2 2.89Å; P71-R75 PolarHBondContact O-N 2.87Å; P71-R75 VanDerWaalsContact O-N 3.1Å; L72-R75 PolarHBondContact O-N 2.82Å; L72-R75 VanDerWaalsContact O-N 3.16Å; R75-R77 VanDerWaalsContact C-N 3.3Å; R75-R77 PolarHBondContact O-N 3.07Å; R75-R78 CarbonylContact O-C 3.4Å; R75-R78 WeakPolarHBondContact O-CA 3.5Å; R75-R78 WeakPolarHBondContact O-CB 3.43Å; R75-R78 PolarHBondContact O-N 3.05Å; R75-G79 PolarHBondContact O-N 2.95Å; R75-I80 HydrophobicContact CB-CD1 4.35Å; R75-I80 PolarHBondContact O-N 3.12Å
76A95.2Very high95.3Very high40 Ų4058.8 Ų58.833%0.33129%0.291SS..Hα-helixtrans-56.4-45.8172.100000111.4L72 R78 G79 I80L72-A76 PolarHBondContact O-N 2.91Å; A76-R78 PolarHBondContact O-N 2.77Å; A76-G79 WeakPolarHBondContact O-CA 3.32Å; A76-G79 PolarHBondContact O-N 2.84Å; A76-I80 WeakPolarHBondContact CA-O 3.24Å
77R93.5Very high95Very high191 Ų19158.7 Ų58.772%0.72130%0.3SS*.Hα-helixtrans-64.9-20.8173.5-72.8-172.9-70.4174.4-2.5114.6H73 A74 R75H73-R77 PolarHBondContact CD2-NH2 3.14Å; H73-R77 PolarHBondContact O-N 2.88Å; A74-R77 PolarHBondContact O-N 2.95Å; R75-R77 VanDerWaalsContact C-N 3.3Å; R75-R77 PolarHBondContact O-N 3.07Å
78R94.2Very high94.8Very high114 Ų11460.3 Ų60.343%0.4331%0.311SS..THydrogen-bonded Turntrans-82.3-0.4170.3-60.3-38.8-161.98017.6113.3I62 D65 I67 L70 A74 R75 A76I62-R78 HydrophobicContact CD1-CB 4.12Å; D65-R78 IonicContact OD2-CZ 3.65Å; D65-R78 IonicContact OD2-NH1 2.67Å; D65-R78 PolarHBondContact OD2-NH1 2.52Å; D65-R78 IonicContact OD2-NH2 3.63Å; D65-R78 PolarHBondContact OD2-NH2 3.47Å; I67-R78 HydrophobicContact CG2-CG 4.1Å; L70-R78 HydrophobicContact CD1-CG 4.16Å; A74-R78 WeakPolarHBondContact O-CG 3.41Å; A74-R78 PolarHBondContact O-N 2.89Å; A74-R78 VanDerWaalsContact O-N 3.15Å; R75-R78 CarbonylContact O-C 3.4Å; R75-R78 WeakPolarHBondContact O-CA 3.5Å; R75-R78 WeakPolarHBondContact O-CB 3.43Å; R75-R78 PolarHBondContact O-N 3.05Å; A76-R78 PolarHBondContact O-N 2.77Å
79G94.6Very high94.8Very high7 Ų760.8 Ų60.87%0.07231%0.313CS..THydrogen-bonded Turntrans102.524.117400000114.4R75 A76 P156 K157 F158R75-G79 PolarHBondContact O-N 2.95Å; A76-G79 WeakPolarHBondContact O-CA 3.32Å; A76-G79 PolarHBondContact O-N 2.84Å; G79-P156 CarbonylContact O-C 3.58Å; G79-P156 WeakPolarHBondContact O-CB 3.11Å; G79-K157 PolarHBondContact O-N 3.43Å; G79-F158 PolarHBondContact O-N 3.28Å
80I97.1Very high94.9Very high9 Ų958 Ų585%0.04630%0.295CS..EExtended strand (participates in β ladder)trans-96.2109.6172-59.3-171.7000110.3L4 V49 V50 I62 I67 R75 A76 L160L4-I80 HydrophobicContact CD1-CD1 4.16Å; V49-I80 HydrophobicContact CG1-CD1 4.35Å; V50-I80 HydrophobicContact CG2-CG2 4.37Å; I62-I80 HydrophobicContact CD1-CD1 4.08Å; I62-I80 HydrophobicContact CD1-CG1 3.85Å; I67-I80 HydrophobicContact CD1-CD1 3.48Å; I67-I80 VanDerWaalsContact CD1-CD1 3.48Å; I67-I80 HydrophobicContact CD1-CG1 4.49Å; R75-I80 HydrophobicContact CB-CD1 4.35Å; R75-I80 PolarHBondContact O-N 3.12Å; A76-I80 WeakPolarHBondContact CA-O 3.24Å; I80-L160 HydrophobicContact CG2-CD1 4.25Å
81G96.8Very high94.9Very high5 Ų563.3 Ų63.35%0.05231%0.311CS..EExtended strand (participates in β ladder)trans-89151.5166.300000111.1F158 L160G81-F158 PolarHBondContact N-O 3.15Å; G81-L160 PolarHBondContact O-N 2.93Å
82Y97.2Very high94.9Very high45 Ų4570.7 Ų70.718%0.17633%0.331CS..EExtended strand (participates in β ladder)trans-144.5127.1-179.5177.4-125.1000111.6F46 Y47 V50 I52 P84 L160 D162F46-Y82 HydrophobicContact CD1-CE2 4.14Å; Y47-Y82 VanDerWaalsContact CE1-OH 3.26Å; Y47-Y82 WeakPolarHBondContact CE1-OH 3.49Å; V50-Y82 HydrophobicContact CG1-CD1 4.15Å; V50-Y82 HydrophobicContact CG1-CG 4.16Å; V50-Y82 HydrophobicContact CG2-CD1 4.32Å; V50-Y82 HydrophobicContact CG2-CD2 3.77Å; V50-Y82 HydrophobicContact CG2-CE2 4.41Å; V50-Y82 HydrophobicContact CG2-CG 3.72Å; I52-Y82 HydrophobicContact CD1-CD1 4.19Å; I52-Y82 HydrophobicContact CD1-CE1 3.7Å; Y82-P84 HydrophobicContact CE1-CB 3.76Å; Y82-P84 HydrophobicContact CE1-CG 4.46Å; Y82-P84 WeakPolarHBondContact OH-CA 3.17Å; Y82-L160 WeakPolarHBondContact CA-O 3.35Å; Y82-L160 HydrophobicContact CD2-CB 3.86Å; Y82-L160 WeakPolarHBondContact CD2-O 3.25Å; Y82-D162 HydrophobicContact CE2-CB 3.97Å; Y82-D162 PolarHBondContact OH-OD2 2.86Å
83L96Very high95.1Very high1 Ų169.9 Ų69.91%0.00533%0.327CS..EExtended strand (participates in β ladder)trans-107.3115.7166.7177.575.4000108.5E147 I148 L160 L161 D162 P164L83-E147 HydrophobicContact CD1-CB 3.54Å; L83-I148 HydrophobicContact CD1-CG1 4.48Å; L83-I148 HydrophobicContact CD2-CD1 4.46Å; L83-I148 HydrophobicContact CD2-CG1 3.77Å; L83-L160 PolarHBondContact N-O 3.3Å; L83-L161 HydrophobicContact CB-CD2 3.73Å; L83-L161 HydrophobicContact CD2-CD2 3.86Å; L83-L161 HydrophobicContact CG-CD2 4.47Å; L83-D162 WeakPolarHBondContact O-CB 3.41Å; L83-D162 PolarHBondContact O-N 2.97Å; L83-P164 HydrophobicContact CD2-CB 4.15Å
84P94.5Very high95.3Very high30 Ų3065.4 Ų65.420%0.19531%0.307CS..  trans-75.4158.7175.930.6-34.3000113.2Y82 R144 D162Y82-P84 HydrophobicContact CE1-CB 3.76Å; Y82-P84 HydrophobicContact CE1-CG 4.46Å; Y82-P84 WeakPolarHBondContact OH-CA 3.17Å; P84-R144 PolarHBondContact O-NH1 3.38Å; P84-R144 VanDerWaalsContact O-NH1 3.14Å; P84-D162 CarbonylContact C-O 3.59Å
85Q89.9Confident95.4Very high77 Ų7764.8 Ų64.836%0.3630%0.302SS..SBendtrans-57.9-50.4171.7176.8176.620.900111.9R144 D162 E163Q85-R144 PolarHBondContact O-NH2 2.81Å; Q85-D162 WeakPolarHBondContact CA-O 3.43Å; Q85-D162 HydrophobicContact CB-CB 4.44Å; Q85-D162 PolarHBondContact N-O 3.43Å; Q85-E163 HydrophobicContact CB-CB 4.42Å; Q85-E163 VanDerWaalsContact CD-CD 3.5Å; Q85-E163 HydrophobicContact CG-CB 4.05Å; Q85-E163 HydrophobicContact CG-CG 4.15Å; Q85-E163 PolarHBondContact NE2-OE1 2.84Å; Q85-E163 PolarHBondContact NE2-OE2 3.44Å
86E89.9Confident95.5Very high162 Ų16266.1 Ų66.176%0.75731%0.307SS*.SBendtrans-69.1148.4177.1-66.2-173.9178.600111.9S88E86-S88 PolarHBondContact O-N 2.86Å
87A90.4Very high95.7Very high69 Ų6967.6 Ų67.657%0.5731%0.31SS*.  trans-58.2124.6174.900000110.4E147A87-E147 WeakPolarHBondContact CA-OE1 3.41Å
88S93.8Very high95.9Very high34 Ų3458.5 Ų58.524%0.23828%0.275CS..  trans-115.90.7-174.661.30000113E86 F90 E147 R150E86-S88 PolarHBondContact O-N 2.86Å; S88-F90 PolarHBondContact O-N 2.83Å; S88-E147 PolarHBondContact N-OE1 2.79Å; S88-R150 VanDerWaalsContact O-CZ 3.3Å; S88-R150 PolarHBondContact O-NH1 3.28Å; S88-R150 PolarHBondContact O-NH2 3.1Å; S88-R150 PolarHBondContact OG-NH2 2.9Å
89I96Very high96.1Very high16 Ų1653.1 Ų53.18%0.08226%0.255CS..  trans-54.1137.2179.6-167.269.2000112.2R91 N98 L138 R143 V146 E147I89-R91 VanDerWaalsContact C-N 3.35Å; I89-R91 HydrophobicContact CG2-CG 4.09Å; I89-R91 PolarHBondContact O-N 3.31Å; I89-N98 HydrophobicContact CD1-CB 4.37Å; I89-N98 WeakPolarHBondContact CD1-OD1 3.47Å; I89-L138 HydrophobicContact CD1-CD1 4.4Å; I89-R143 HydrophobicContact CB-CG 3.89Å; I89-R143 HydrophobicContact CG1-CG 4.37Å; I89-R143 HydrophobicContact CG2-CG 3.87Å; I89-V146 HydrophobicContact CD1-CB 4.12Å; I89-V146 HydrophobicContact CD1-CG1 3.5Å; I89-E147 HydrophobicContact CB-CG 4.21Å; I89-E147 HydrophobicContact CD1-CG 4.44Å; I89-E147 PolarHBondContact N-OE1 2.71Å
90F97.8Very high96.3Very high97 Ų9753.5 Ų53.543%0.42526%0.255SS..  trans-75.393.5169.6-57-45.3000109S88 R92 L93 N98 A101S88-F90 PolarHBondContact O-N 2.83Å; F90-R92 PolarHBondContact O-N 3.19Å; F90-R92 VanDerWaalsContact O-N 3.1Å; F90-L93 HydrophobicContact CB-CB 4.03Å; F90-L93 HydrophobicContact CB-CD1 3.79Å; F90-L93 HydrophobicContact CB-CG 3.96Å; F90-L93 HydrophobicContact CD2-CD1 3.86Å; F90-L93 HydrophobicContact CG-CD1 4.13Å; F90-L93 PolarHBondContact O-N 2.87Å; F90-N98 WeakPolarHBondContact CA-OD1 3.41Å; F90-N98 WeakPolarHBondContact CB-OD1 3.35Å; F90-N98 WeakPolarHBondContact CD2-OD1 3.43Å; F90-N98 PolarHBondContact N-OD1 3.09Å; F90-N98 PolarHBondContact O-ND2 3.48Å; F90-N98 VanDerWaalsContact O-ND2 3.12Å; F90-A101 HydrophobicContact CD2-CB 4.27Å; F90-A101 HydrophobicContact CE2-CB 3.97Å
91R96.9Very high96.3Very high162 Ų16254.8 Ų54.861%0.61127%0.267SS*.THydrogen-bonded Turntrans-54-31.8-171.9-66.9-178.868.4-179.32.8114.9I89 Q136I89-R91 VanDerWaalsContact C-N 3.35Å; I89-R91 HydrophobicContact CG2-CG 4.09Å; I89-R91 PolarHBondContact O-N 3.31Å; R91-Q136 HydrophobicContact CB-CB 4.08Å; R91-Q136 WeakPolarHBondContact O-CB 3.23Å; R91-Q136 WeakPolarHBondContact O-CG 3.13Å; R91-Q136 PolarHBondContact O-N 3.11Å; R91-Q136 VanDerWaalsContact O-N 3.14Å
92R97.7Very high96.3Very high220 Ų22055.9 Ų55.983%0.8327%0.273SS*.THydrogen-bonded Turntrans-100.210.9-177.3-63.6-172.2-179.3179.60.8113.8F90 M134F90-R92 PolarHBondContact O-N 3.19Å; F90-R92 VanDerWaalsContact O-N 3.1Å; R92-M134 VanDerWaalsContact O-CE 3.24Å; R92-M134 WeakPolarHBondContact O-CE 3.41Å
93L98.4Very high96.3Very high64 Ų6453.7 Ų53.734%0.33526%0.264SS..SBendtrans-112.2152.1172.5-65.3-174.3000109.2F90 D97 N98 A101 G135F90-L93 HydrophobicContact CB-CB 4.03Å; F90-L93 HydrophobicContact CB-CD1 3.79Å; F90-L93 HydrophobicContact CB-CG 3.96Å; F90-L93 HydrophobicContact CD2-CD1 3.86Å; F90-L93 HydrophobicContact CG-CD1 4.13Å; F90-L93 PolarHBondContact O-N 2.87Å; L93-D97 HydrophobicContact CB-CB 3.84Å; L93-D97 HydrophobicContact CD1-CB 4.41Å; L93-D97 HydrophobicContact CD2-CB 4.29Å; L93-D97 HydrophobicContact CG-CB 4.4Å; L93-N98 PolarHBondContact O-ND2 3.17Å; L93-A101 HydrophobicContact CD1-CB 4.44Å; L93-G135 PolarHBondContact O-N 3.49Å
94S98.6Very high96.4Very high12 Ų1259.2 Ų59.28%0.08429%0.29CS..BIsolated β-bridgetrans-64.3168168.667.80000110.8Y96 D97 N98 S133S94-Y96 VanDerWaalsContact C-N 3.3Å; S94-D97 PolarHBondContact O-N 2.73Å; S94-D97 WeakPolarHBondContact OG-CB 3.45Å; S94-D97 PolarHBondContact OG-N 3.25Å; S94-D97 PolarHBondContact OG-OD2 2.66Å; S94-N98 PolarHBondContact O-N 2.74Å; S94-N98 PolarHBondContact O-ND2 3.4Å; S94-S133 CarbonylContact C-O 3.53Å; S94-S133 VanDerWaalsContact CA-O 3.26Å; S94-S133 WeakPolarHBondContact CA-O 3.4Å
95V98.6Very high96.4Very high0 Ų063.9 Ų63.90%031%0.312CS..Hα-helixtrans-59.1-45.7172.3170.40000110.4D97 N98 L99 M122 I127 L130 R131 S133 L138 V146V95-D97 PolarHBondContact O-N 2.82Å; V95-N98 WeakPolarHBondContact O-CB 3.41Å; V95-N98 PolarHBondContact O-N 3.14Å; V95-L99 PolarHBondContact O-N 3.02Å; V95-M122 HydrophobicContact CG1-SD 4.3Å; V95-I127 HydrophobicContact CG1-CD1 4.04Å; V95-L130 VanDerWaalsContact CB-O 3.31Å; V95-L130 WeakPolarHBondContact CB-O 3.36Å; V95-L130 HydrophobicContact CG2-CB 3.99Å; V95-L130 WeakPolarHBondContact CG2-O 3.45Å; V95-R131 PolarHBondContact N-O 2.87Å; V95-S133 PolarHBondContact N-O 3.25Å; V95-L138 HydrophobicContact CG2-CD1 3.97Å; V95-L138 HydrophobicContact CG2-CD2 4.04Å; V95-V146 HydrophobicContact CB-CG2 4.49Å; V95-V146 HydrophobicContact CG1-CG1 4.06Å; V95-V146 HydrophobicContact CG1-CG2 3.8Å; V95-V146 HydrophobicContact CG2-CG1 4.47Å; V95-V146 HydrophobicContact CG2-CG2 3.9Å
96Y98.7Very high96.6Very high34 Ų3461.7 Ų61.713%0.13330%0.3CS..Hα-helixtrans-56.7-49.4175.1178.7-109000112.1S94 N98 L99 M100 E115 A118 M122 R131S94-Y96 VanDerWaalsContact C-N 3.3Å; Y96-N98 VanDerWaalsContact C-N 3.27Å; Y96-N98 PolarHBondContact O-N 3.16Å; Y96-L99 PolarHBondContact O-N 2.94Å; Y96-L99 VanDerWaalsContact O-N 3.11Å; Y96-M100 HydrophobicContact CD1-CG 4Å; Y96-M100 HydrophobicContact CD2-CG 4.16Å; Y96-M100 HydrophobicContact CE1-CG 3.59Å; Y96-M100 HydrophobicContact CE2-CG 3.76Å; Y96-M100 HydrophobicContact CE2-SD 4.07Å; Y96-M100 HydrophobicContact CG-CG 4.29Å; Y96-M100 VanDerWaalsContact CZ-CG 3.46Å; Y96-M100 WeakPolarHBondContact O-CG 3.49Å; Y96-M100 PolarHBondContact O-N 3.27Å; Y96-E115 WeakPolarHBondContact OH-CG 3.48Å; Y96-A118 HydrophobicContact CD2-CB 4.1Å; Y96-A118 HydrophobicContact CE2-CB 3.75Å; Y96-M122 HydrophobicContact CD2-CE 3.93Å; Y96-R131 HydrophobicContact CG-CG 4.49Å; Y96-R131 PolarHBondContact N-O 3.43Å
97D98.6Very high96.7Very high71 Ų7161.3 Ų61.338%0.3830%0.304SS..Hα-helixtrans-66.6-28.2-179.6-66.1-40.5000112.6L93 S94 V95 L99 M100 A101L93-D97 HydrophobicContact CB-CB 3.84Å; L93-D97 HydrophobicContact CD1-CB 4.41Å; L93-D97 HydrophobicContact CD2-CB 4.29Å; L93-D97 HydrophobicContact CG-CB 4.4Å; S94-D97 PolarHBondContact O-N 2.73Å; S94-D97 WeakPolarHBondContact OG-CB 3.45Å; S94-D97 PolarHBondContact OG-N 3.25Å; S94-D97 PolarHBondContact OG-OD2 2.66Å; V95-D97 PolarHBondContact O-N 2.82Å; D97-L99 VanDerWaalsContact C-N 3.34Å; D97-M100 PolarHBondContact O-N 3.49Å; D97-A101 VanDerWaalsContact O-CB 3.31Å; D97-A101 WeakPolarHBondContact O-CB 3.3Å; D97-A101 PolarHBondContact O-N 2.9Å
98N98.5Very high96.9Very high0 Ų062.9 Ų62.90%030%0.302CS..Hα-helixtrans-62-42.6172.5-94.4-89.6000111.6I89 F90 L93 S94 V95 Y96 V146 R150I89-N98 HydrophobicContact CD1-CB 4.37Å; I89-N98 WeakPolarHBondContact CD1-OD1 3.47Å; F90-N98 WeakPolarHBondContact CA-OD1 3.41Å; F90-N98 WeakPolarHBondContact CB-OD1 3.35Å; F90-N98 WeakPolarHBondContact CD2-OD1 3.43Å; F90-N98 PolarHBondContact N-OD1 3.09Å; F90-N98 PolarHBondContact O-ND2 3.48Å; F90-N98 VanDerWaalsContact O-ND2 3.12Å; L93-N98 PolarHBondContact O-ND2 3.17Å; S94-N98 PolarHBondContact O-N 2.74Å; S94-N98 PolarHBondContact O-ND2 3.4Å; V95-N98 WeakPolarHBondContact O-CB 3.41Å; V95-N98 PolarHBondContact O-N 3.14Å; Y96-N98 VanDerWaalsContact C-N 3.27Å; Y96-N98 PolarHBondContact O-N 3.16Å; N98-V146 HydrophobicContact CB-CG1 4.28Å; N98-R150 VanDerWaalsContact O-CD 3.23Å; N98-R150 WeakPolarHBondContact O-CD 3.47Å; N98-R150 WeakPolarHBondContact O-CG 3.44Å; N98-R150 PolarHBondContact OD1-NH1 2.95Å
99L98.6Very high97.1Very high0 Ų062.7 Ų62.70%030%0.298CS..Hα-helixtrans-71.4-46.3176.1-57.3-177.1000110.5V95 Y96 D97 A101 V102 L103 L121 M122 A149 R150V95-L99 PolarHBondContact O-N 3.02Å; Y96-L99 PolarHBondContact O-N 2.94Å; Y96-L99 VanDerWaalsContact O-N 3.11Å; D97-L99 VanDerWaalsContact C-N 3.34Å; L99-A101 VanDerWaalsContact C-N 3.26Å; L99-A101 PolarHBondContact O-N 3Å; L99-V102 PolarHBondContact O-N 2.92Å; L99-L103 HydrophobicContact CB-CD1 4.24Å; L99-L103 WeakPolarHBondContact O-CG 3.3Å; L99-L103 PolarHBondContact O-N 3.39Å; L99-L121 HydrophobicContact CD1-CB 4.1Å; L99-M122 HydrophobicContact CD1-CG 3.55Å; L99-M122 HydrophobicContact CD1-SD 4.37Å; L99-A149 HydrophobicContact CD2-CB 3.89Å; L99-R150 HydrophobicContact CD2-CB 3.89Å
100M98.4Very high97.2Very high15 Ų1564.4 Ų64.47%0.07431%0.312CS..Hα-helixtrans-61.6-32-179.6-70.6-56-68.100113.1Y96 D97 V102 L103 Q104 R114 A118Y96-M100 HydrophobicContact CD1-CG 4Å; Y96-M100 HydrophobicContact CD2-CG 4.16Å; Y96-M100 HydrophobicContact CE1-CG 3.59Å; Y96-M100 HydrophobicContact CE2-CG 3.76Å; Y96-M100 HydrophobicContact CE2-SD 4.07Å; Y96-M100 HydrophobicContact CG-CG 4.29Å; Y96-M100 VanDerWaalsContact CZ-CG 3.46Å; Y96-M100 WeakPolarHBondContact O-CG 3.49Å; Y96-M100 PolarHBondContact O-N 3.27Å; D97-M100 PolarHBondContact O-N 3.49Å; M100-V102 PolarHBondContact O-N 3.46Å; M100-V102 VanDerWaalsContact O-N 3.11Å; M100-L103 PolarHBondContact O-N 3.1Å; M100-L103 HydrophobicContact SD-CB 4.21Å; M100-L103 HydrophobicContact SD-CD1 3.95Å; M100-Q104 HydrophobicContact CE-CG 4.12Å; M100-Q104 VanDerWaalsContact O-CB 3.27Å; M100-Q104 WeakPolarHBondContact O-CB 3.35Å; M100-Q104 WeakPolarHBondContact O-CG 3.42Å; M100-Q104 PolarHBondContact O-N 2.96Å; M100-R114 HydrophobicContact CE-CB 3.91Å; M100-R114 HydrophobicContact SD-CB 4.4Å; M100-A118 HydrophobicContact SD-CB 3.94Å
101A97.5Very high97.2Very high36 Ų3663.1 Ų63.130%0.29832%0.319SS..Hα-helixtrans-56.8-27.7174.400000113.2F90 L93 D97 L99F90-A101 HydrophobicContact CD2-CB 4.27Å; F90-A101 HydrophobicContact CE2-CB 3.97Å; L93-A101 HydrophobicContact CD1-CB 4.44Å; D97-A101 VanDerWaalsContact O-CB 3.31Å; D97-A101 WeakPolarHBondContact O-CB 3.3Å; D97-A101 PolarHBondContact O-N 2.9Å; L99-A101 VanDerWaalsContact C-N 3.26Å; L99-A101 PolarHBondContact O-N 3Å
102V96.8Very high97.2Very high28 Ų2862.2 Ų62.217%0.1732%0.322CS..Hα-helixtrans-95.1-39.3174.8-178.70000111.2L99 M100 Q104 I105 R150 A153 A154L99-V102 PolarHBondContact O-N 2.92Å; M100-V102 PolarHBondContact O-N 3.46Å; M100-V102 VanDerWaalsContact O-N 3.11Å; V102-Q104 VanDerWaalsContact C-N 3.29Å; V102-Q104 PolarHBondContact O-N 3.48Å; V102-I105 WeakPolarHBondContact O-CG1 3.29Å; V102-I105 PolarHBondContact O-N 3.35Å; V102-R150 HydrophobicContact CG2-CG 3.63Å; V102-A153 HydrophobicContact CB-CB 3.89Å; V102-A153 HydrophobicContact CG1-CB 3.82Å; V102-A154 HydrophobicContact CG1-CB 3.95Å
103L97.8Very high97.2Very high0 Ų056.2 Ų56.20%030%0.303CS..Hα-helixtrans-67.2-30.2-179.7-64.4164.6000112.4L99 M100 I105 R106 L109 R114 R117 A118 A153L99-L103 HydrophobicContact CB-CD1 4.24Å; L99-L103 WeakPolarHBondContact O-CG 3.3Å; L99-L103 PolarHBondContact O-N 3.39Å; M100-L103 PolarHBondContact O-N 3.1Å; M100-L103 HydrophobicContact SD-CB 4.21Å; M100-L103 HydrophobicContact SD-CD1 3.95Å; L103-I105 PolarHBondContact O-N 3.01Å; L103-R106 WeakPolarHBondContact O-CB 3.5Å; L103-R106 PolarHBondContact O-N 2.91Å; L103-R106 VanDerWaalsContact O-N 3.09Å; L103-L109 HydrophobicContact CD2-CD1 4.27Å; L103-R114 HydrophobicContact CB-CB 4.1Å; L103-R114 HydrophobicContact CB-CG 4.18Å; L103-R114 WeakPolarHBondContact CD1-O 3.31Å; L103-R114 WeakPolarHBondContact O-CD 3.13Å; L103-R114 WeakPolarHBondContact O-CG 3.39Å; L103-R114 PolarHBondContact O-NE 3.02Å; L103-R117 HydrophobicContact CD2-CB 4.13Å; L103-R117 HydrophobicContact CD2-CG 3.75Å; L103-A118 HydrophobicContact CD1-CB 3.62Å; L103-A153 HydrophobicContact CD2-CB 3.88Å; L103-A153 HydrophobicContact CG-CB 3.94Å
104Q97Very high97.2Very high117 Ų11755.5 Ų55.555%0.54730%0.296SS..THydrogen-bonded Turntrans-66.3-22178.8-76.9177.4-21.200113.9M100 V102 R114M100-Q104 HydrophobicContact CE-CG 4.12Å; M100-Q104 VanDerWaalsContact O-CB 3.27Å; M100-Q104 WeakPolarHBondContact O-CB 3.35Å; M100-Q104 WeakPolarHBondContact O-CG 3.42Å; M100-Q104 PolarHBondContact O-N 2.96Å; V102-Q104 VanDerWaalsContact C-N 3.29Å; V102-Q104 PolarHBondContact O-N 3.48Å; Q104-R114 VanDerWaalsContact O-CZ 3.28Å; Q104-R114 PolarHBondContact O-NH1 3.5Å; Q104-R114 VanDerWaalsContact O-NH1 3.11Å; Q104-R114 PolarHBondContact O-NH2 2.85Å
105I93.7Very high97.2Very high127 Ų12759.7 Ų59.765%0.65131%0.314SS*.THydrogen-bonded Turntrans-945.4175.965.1162.1000113V102 L103 D107V102-I105 WeakPolarHBondContact O-CG1 3.29Å; V102-I105 PolarHBondContact O-N 3.35Å; L103-I105 PolarHBondContact O-N 3.01Å; I105-D107 PolarHBondContact O-N 3Å
106R94.3Very high97.2Very high31 Ų3163.5 Ų63.512%0.11734%0.335CS..  trans-84.895.8172.9-70.8-76.8-60.3-74.1-2.6109.8L103 D108 L109 R114 A153 N155L103-R106 WeakPolarHBondContact O-CB 3.5Å; L103-R106 PolarHBondContact O-N 2.91Å; L103-R106 VanDerWaalsContact O-N 3.09Å; R106-D108 WeakPolarHBondContact CB-OD1 3.09Å; R106-D108 IonicContact CZ-OD1 3.91Å; R106-D108 IonicContact CZ-OD2 3.4Å; R106-D108 IonicContact NE-OD1 3.41Å; R106-D108 PolarHBondContact NE-OD1 3.22Å; R106-D108 IonicContact NE-OD2 3.22Å; R106-D108 PolarHBondContact NE-OD2 2.92Å; R106-D108 IonicContact NH2-OD1 2.81Å; R106-D108 IonicContact NH2-OD2 3.71Å; R106-D108 PolarHBondContact NH2-OD2 2.79Å; R106-D108 PolarHBondContact O-N 2.88Å; R106-L109 HydrophobicContact CB-CB 4.29Å; R106-L109 HydrophobicContact CB-CD1 3.85Å; R106-L109 HydrophobicContact CB-CG 4Å; R106-L109 HydrophobicContact CG-CD1 4.24Å; R106-L109 PolarHBondContact O-N 3.27Å; R106-R114 PolarHBondContact O-NE 3.26Å; R106-R114 PolarHBondContact O-NH2 2.88Å; R106-A153 PolarHBondContact NH1-O 2.81Å; R106-N155 VanDerWaalsContact NH1-CB 3.26Å
107D92.9Very high97.2Very high155 Ų15564.7 Ų64.783%0.82934%0.339SS*.THydrogen-bonded Turntrans-68.4-15.7-179.1-61.1-26.3000113I105 L109I105-D107 PolarHBondContact O-N 3Å; D107-L109 VanDerWaalsContact C-N 3.31Å
108D95.2Very high97.2Very high101 Ų10161.3 Ų61.354%0.5432%0.321SS..THydrogen-bonded Turntrans-82.5-4.3175.362.8-56.6000113.9R106R106-D108 WeakPolarHBondContact CB-OD1 3.09Å; R106-D108 IonicContact CZ-OD1 3.91Å; R106-D108 IonicContact CZ-OD2 3.4Å; R106-D108 IonicContact NE-OD1 3.41Å; R106-D108 PolarHBondContact NE-OD1 3.22Å; R106-D108 IonicContact NE-OD2 3.22Å; R106-D108 PolarHBondContact NE-OD2 2.92Å; R106-D108 IonicContact NH2-OD1 2.81Å; R106-D108 IonicContact NH2-OD2 3.71Å; R106-D108 PolarHBondContact NH2-OD2 2.79Å; R106-D108 PolarHBondContact O-N 2.88Å
109L97Very high97.1Very high30 Ų3064.3 Ų64.316%0.15734%0.337CS..SBendtrans-117.6135.2-179.6-58.3179.2000111.9L103 R106 D107 Q113 R114L103-L109 HydrophobicContact CD2-CD1 4.27Å; R106-L109 HydrophobicContact CB-CB 4.29Å; R106-L109 HydrophobicContact CB-CD1 3.85Å; R106-L109 HydrophobicContact CB-CG 4Å; R106-L109 HydrophobicContact CG-CD1 4.24Å; R106-L109 PolarHBondContact O-N 3.27Å; D107-L109 VanDerWaalsContact C-N 3.31Å; L109-Q113 HydrophobicContact CB-CB 4.11Å; L109-Q113 HydrophobicContact CD2-CB 4.13Å; L109-R114 HydrophobicContact CB-CG 3.73Å; L109-R114 HydrophobicContact CD1-CG 4.25Å; L109-R114 PolarHBondContact O-NE 2.94Å; L109-R114 VanDerWaalsContact O-NE 3.1Å; L109-R114 PolarHBondContact O-NH2 2.82Å
110S97.7Very high97.1Very high53 Ų5369 Ų6937%0.37136%0.359SS..  trans-67.5168.1166.480.30000111.6E112 Q113 R114S110-E112 VanDerWaalsContact C-N 3.32Å; S110-E112 PolarHBondContact O-N 3.21Å; S110-E112 PolarHBondContact OG-N 2.89Å; S110-Q113 PolarHBondContact O-N 3.24Å; S110-Q113 WeakPolarHBondContact OG-CG 3.48Å; S110-Q113 PolarHBondContact OG-N 2.78Å; S110-Q113 VanDerWaalsContact OG-N 3.13Å; S110-Q113 PolarHBondContact OG-OE1 2.78Å; S110-R114 WeakPolarHBondContact O-CD 3.19Å; S110-R114 WeakPolarHBondContact O-CG 3.37Å; S110-R114 PolarHBondContact O-N 2.88Å
111A97.4Very high97Very high70 Ų7068.2 Ų68.258%0.57936%0.355SS*.Hα-helixtrans-56.2-46.6174.500000112.1R114 E115A111-R114 WeakPolarHBondContact O-CB 3.41Å; A111-R114 PolarHBondContact O-N 2.83Å; A111-E115 WeakPolarHBondContact O-CG 3.22Å; A111-E115 PolarHBondContact O-N 2.75Å
112E98.1Very high97Very high142 Ų14266.6 Ų66.666%0.66434%0.341SS*.Hα-helixtrans-60.8-47.9177-174.6175.5-161.800111.7S110 R114 E115 D116S110-E112 VanDerWaalsContact C-N 3.32Å; S110-E112 PolarHBondContact O-N 3.21Å; S110-E112 PolarHBondContact OG-N 2.89Å; E112-R114 PolarHBondContact O-N 3.27Å; E112-E115 PolarHBondContact O-N 2.98Å; E112-D116 PolarHBondContact O-N 2.84Å
113Q98.3Very high97Very high94 Ų9471.4 Ų71.444%0.43936%0.362SS..Hα-helixtrans-62.5-28.7178.4-71.3173.7-44.600113.2L109 S110 R117L109-Q113 HydrophobicContact CB-CB 4.11Å; L109-Q113 HydrophobicContact CD2-CB 4.13Å; S110-Q113 PolarHBondContact O-N 3.24Å; S110-Q113 WeakPolarHBondContact OG-CG 3.48Å; S110-Q113 PolarHBondContact OG-N 2.78Å; S110-Q113 VanDerWaalsContact OG-N 3.13Å; S110-Q113 PolarHBondContact OG-OE1 2.78Å; Q113-R117 VanDerWaalsContact O-CB 3.28Å; Q113-R117 WeakPolarHBondContact O-CB 3.27Å; Q113-R117 PolarHBondContact O-N 2.76Å
114R98.4Very high96.8Very high50 Ų5074 Ų7419%0.18937%0.374CS..Hα-helixtrans-70.2-41.9174.1-67.5162.4-174.5-167.7-8.2110.7M100 L103 Q104 R106 L109 S110 A111 E112 R117 A118M100-R114 HydrophobicContact CE-CB 3.91Å; M100-R114 HydrophobicContact SD-CB 4.4Å; L103-R114 HydrophobicContact CB-CB 4.1Å; L103-R114 HydrophobicContact CB-CG 4.18Å; L103-R114 WeakPolarHBondContact CD1-O 3.31Å; L103-R114 WeakPolarHBondContact O-CD 3.13Å; L103-R114 WeakPolarHBondContact O-CG 3.39Å; L103-R114 PolarHBondContact O-NE 3.02Å; Q104-R114 VanDerWaalsContact O-CZ 3.28Å; Q104-R114 PolarHBondContact O-NH1 3.5Å; Q104-R114 VanDerWaalsContact O-NH1 3.11Å; Q104-R114 PolarHBondContact O-NH2 2.85Å; R106-R114 PolarHBondContact O-NE 3.26Å; R106-R114 PolarHBondContact O-NH2 2.88Å; L109-R114 HydrophobicContact CB-CG 3.73Å; L109-R114 HydrophobicContact CD1-CG 4.25Å; L109-R114 PolarHBondContact O-NE 2.94Å; L109-R114 VanDerWaalsContact O-NE 3.1Å; L109-R114 PolarHBondContact O-NH2 2.82Å; S110-R114 WeakPolarHBondContact O-CD 3.19Å; S110-R114 WeakPolarHBondContact O-CG 3.37Å; S110-R114 PolarHBondContact O-N 2.88Å; A111-R114 WeakPolarHBondContact O-CB 3.41Å; A111-R114 PolarHBondContact O-N 2.83Å; E112-R114 PolarHBondContact O-N 3.27Å; R114-R117 PolarHBondContact O-N 2.81Å; R114-A118 WeakPolarHBondContact O-CB 3.41Å; R114-A118 PolarHBondContact O-N 2.99Å
115E98.2Very high96.6Very high100 Ų10068.5 Ų68.547%0.46735%0.348SS..Hα-helixtrans-65.4-44.4176.3-59.9-169.2177.400111.2Y96 A111 E112 R117 A118 N119Y96-E115 WeakPolarHBondContact OH-CG 3.48Å; A111-E115 WeakPolarHBondContact O-CG 3.22Å; A111-E115 PolarHBondContact O-N 2.75Å; E112-E115 PolarHBondContact O-N 2.98Å; E115-R117 PolarHBondContact O-N 2.83Å; E115-A118 WeakPolarHBondContact O-CB 3.32Å; E115-A118 PolarHBondContact O-N 2.99Å; E115-N119 VanDerWaalsContact O-CG 3.26Å; E115-N119 PolarHBondContact O-N 2.92Å; E115-N119 PolarHBondContact O-ND2 2.82Å; E115-N119 VanDerWaalsContact O-ND2 3.17Å
116D98.2Very high96.6Very high79 Ų7968.6 Ų68.642%0.42235%0.346SS..Hα-helixtrans-57.8-50.2175.3-68.6-22.9000110.8E112 A118 N119 E120E112-D116 PolarHBondContact O-N 2.84Å; D116-A118 VanDerWaalsContact C-N 3.29Å; D116-A118 PolarHBondContact O-N 3.3Å; D116-N119 WeakPolarHBondContact O-CB 3.1Å; D116-N119 PolarHBondContact O-N 3.4Å; D116-N119 VanDerWaalsContact O-N 3.09Å; D116-E120 WeakPolarHBondContact O-CG 3.49Å; D116-E120 PolarHBondContact O-N 3.22Å
117R97.9Very high96.7Very high59 Ų5967.1 Ų67.122%0.22334%0.34CS..Hα-helixtrans-64-34.3179.3-174.456.9-176.1147.55112.7L103 Q113 R114 E115 E120 L121 E124L103-R117 HydrophobicContact CD2-CB 4.13Å; L103-R117 HydrophobicContact CD2-CG 3.75Å; Q113-R117 VanDerWaalsContact O-CB 3.28Å; Q113-R117 WeakPolarHBondContact O-CB 3.27Å; Q113-R117 PolarHBondContact O-N 2.76Å; R114-R117 PolarHBondContact O-N 2.81Å; E115-R117 PolarHBondContact O-N 2.83Å; R117-E120 WeakPolarHBondContact CD-OE2 3.34Å; R117-E120 IonicContact CZ-OE2 3.41Å; R117-E120 IonicContact NE-OE2 3.44Å; R117-E120 IonicContact NH1-OE2 2.72Å; R117-E120 PolarHBondContact NH1-OE2 3.3Å; R117-L121 HydrophobicContact CG-CD1 4.21Å; R117-L121 VanDerWaalsContact NH2-CD2 3.29Å; R117-L121 WeakPolarHBondContact O-CB 3.15Å; R117-L121 VanDerWaalsContact O-CG 3.32Å; R117-L121 WeakPolarHBondContact O-CG 2.94Å; R117-L121 PolarHBondContact O-N 2.88Å; R117-E124 IonicContact NH1-OE2 3.27Å; R117-E124 IonicContact NH2-OE2 3.39Å
118A98.5Very high97Very high0 Ų063.7 Ų63.70%032%0.319CS..Hα-helixtrans-63.6-43.6173.900000111.1Y96 M100 L103 R114 E115 D116 L121 M122Y96-A118 HydrophobicContact CD2-CB 4.1Å; Y96-A118 HydrophobicContact CE2-CB 3.75Å; M100-A118 HydrophobicContact SD-CB 3.94Å; L103-A118 HydrophobicContact CD1-CB 3.62Å; R114-A118 WeakPolarHBondContact O-CB 3.41Å; R114-A118 PolarHBondContact O-N 2.99Å; E115-A118 WeakPolarHBondContact O-CB 3.32Å; E115-A118 PolarHBondContact O-N 2.99Å; D116-A118 VanDerWaalsContact C-N 3.29Å; D116-A118 PolarHBondContact O-N 3.3Å; A118-L121 PolarHBondContact O-N 2.78Å; A118-M122 WeakPolarHBondContact O-CE 3.36Å; A118-M122 WeakPolarHBondContact O-CG 3.02Å; A118-M122 PolarHBondContact O-N 3.09Å
119N98.3Very high97.1Very high64 Ų6465.1 Ų65.134%0.34232%0.322SS..Hα-helixtrans-65.2-46178-64.3-31.9000111.5E115 D116 L121 M122 E123 R131E115-N119 VanDerWaalsContact O-CG 3.26Å; E115-N119 PolarHBondContact O-N 2.92Å; E115-N119 PolarHBondContact O-ND2 2.82Å; E115-N119 VanDerWaalsContact O-ND2 3.17Å; D116-N119 WeakPolarHBondContact O-CB 3.1Å; D116-N119 PolarHBondContact O-N 3.4Å; D116-N119 VanDerWaalsContact O-N 3.09Å; N119-L121 VanDerWaalsContact C-N 3.35Å; N119-L121 PolarHBondContact O-N 3.13Å; N119-M122 PolarHBondContact O-N 3.3Å; N119-M122 VanDerWaalsContact O-N 3.1Å; N119-E123 PolarHBondContact O-N 3.33Å; N119-R131 PolarHBondContact OD1-NH1 2.86Å
120E97.1Very high97.1Very high97 Ų9764.3 Ų64.345%0.45332%0.318SS..Hα-helixtrans-55.3-48.6174.6-71.7172.9-175.100111.7D116 R117 M122 E123 E124D116-E120 WeakPolarHBondContact O-CG 3.49Å; D116-E120 PolarHBondContact O-N 3.22Å; R117-E120 WeakPolarHBondContact CD-OE2 3.34Å; R117-E120 IonicContact CZ-OE2 3.41Å; R117-E120 IonicContact NE-OE2 3.44Å; R117-E120 IonicContact NH1-OE2 2.72Å; R117-E120 PolarHBondContact NH1-OE2 3.3Å; E120-M122 VanDerWaalsContact C-N 3.29Å; E120-M122 PolarHBondContact O-N 2.85Å; E120-E123 PolarHBondContact O-N 3.46Å; E120-E124 VanDerWaalsContact O-CB 3.23Å; E120-E124 WeakPolarHBondContact O-CB 3.36Å; E120-E124 PolarHBondContact O-N 3.19Å
121L97.2Very high97.2Very high0 Ų065.3 Ų65.30%031%0.314CS..Hα-helixtrans-64.2-33.7178-78.2170.2000112.3L99 R117 A118 N119 E123 F125 L152 A153L99-L121 HydrophobicContact CD1-CB 4.1Å; R117-L121 HydrophobicContact CG-CD1 4.21Å; R117-L121 VanDerWaalsContact NH2-CD2 3.29Å; R117-L121 WeakPolarHBondContact O-CB 3.15Å; R117-L121 VanDerWaalsContact O-CG 3.32Å; R117-L121 WeakPolarHBondContact O-CG 2.94Å; R117-L121 PolarHBondContact O-N 2.88Å; A118-L121 PolarHBondContact O-N 2.78Å; N119-L121 VanDerWaalsContact C-N 3.35Å; N119-L121 PolarHBondContact O-N 3.13Å; L121-E123 VanDerWaalsContact C-N 3.35Å; L121-F125 HydrophobicContact CD2-CD2 4.43Å; L121-F125 HydrophobicContact CD2-CE2 4.08Å; L121-F125 WeakPolarHBondContact O-CB 3.34Å; L121-F125 WeakPolarHBondContact O-CD2 3.49Å; L121-F125 PolarHBondContact O-N 2.93Å; L121-L152 HydrophobicContact CD2-CB 4.06Å; L121-A153 HydrophobicContact CD1-CB 3.83Å
122M98.1Very high97.2Very high2 Ų268.3 Ų68.31%0.0132%0.32CS..Hα-helixtrans-70.5-36.3175.8-72.1-175.6-69.300111.6V95 Y96 L99 A118 N119 E120 H126 I127 E128 R131V95-M122 HydrophobicContact CG1-SD 4.3Å; Y96-M122 HydrophobicContact CD2-CE 3.93Å; L99-M122 HydrophobicContact CD1-CG 3.55Å; L99-M122 HydrophobicContact CD1-SD 4.37Å; A118-M122 WeakPolarHBondContact O-CE 3.36Å; A118-M122 WeakPolarHBondContact O-CG 3.02Å; A118-M122 PolarHBondContact O-N 3.09Å; N119-M122 PolarHBondContact O-N 3.3Å; N119-M122 VanDerWaalsContact O-N 3.1Å; E120-M122 VanDerWaalsContact C-N 3.29Å; E120-M122 PolarHBondContact O-N 2.85Å; M122-H126 PolarHBondContact O-N 3.46Å; M122-H126 VanDerWaalsContact O-N 3.11Å; M122-I127 HydrophobicContact CB-CG1 3.96Å; M122-I127 HydrophobicContact CG-CD1 4.14Å; M122-I127 HydrophobicContact CG-CG1 3.98Å; M122-I127 WeakPolarHBondContact O-CG1 3.36Å; M122-I127 PolarHBondContact O-N 3.33Å; M122-E128 HydrophobicContact CB-CB 4.36Å; M122-E128 HydrophobicContact CB-CG 3.87Å; M122-R131 HydrophobicContact CE-CG 4.21Å; M122-R131 HydrophobicContact SD-CB 4.09Å; M122-R131 HydrophobicContact SD-CG 4.04Å
123E96Very high97.2Very high129 Ų12963.4 Ų63.460%0.60330%0.301SS*.Hα-helixtrans-69.8-49.9177.4-176.4174.4-167.900113.2N119 E120 L121 F125 H126 E128N119-E123 PolarHBondContact O-N 3.33Å; E120-E123 PolarHBondContact O-N 3.46Å; L121-E123 VanDerWaalsContact C-N 3.35Å; E123-F125 PolarHBondContact O-N 3.5Å; E123-F125 VanDerWaalsContact O-N 3.13Å; E123-H126 PolarHBondContact O-N 3.22Å; E123-H126 VanDerWaalsContact O-N 3.09Å; E123-H126 PolarHBondContact O-ND1 3.43Å; E123-E128 WeakPolarHBondContact CA-OE1 3.42Å; E123-E128 HydrophobicContact CB-CG 4.17Å; E123-E128 WeakPolarHBondContact CB-OE1 3.35Å
124E93.1Very high97.2Very high54 Ų5462.3 Ų62.325%0.25230%0.297SS..Hα-helixtrans-55.9-31.9177.1-173.8-173.3153.300111.9R117 E120 H182R117-E124 IonicContact NH1-OE2 3.27Å; R117-E124 IonicContact NH2-OE2 3.39Å; E120-E124 VanDerWaalsContact O-CB 3.23Å; E120-E124 WeakPolarHBondContact O-CB 3.36Å; E120-E124 PolarHBondContact O-N 3.19Å; E124-H182 IonicContact OE1-CD2 3.58Å; E124-H182 PolarHBondContact OE1-CD2 2.93Å; E124-H182 VanDerWaalsContact OE1-CD2 3.22Å; E124-H182 IonicContact OE1-NE2 3.6Å; E124-H182 PolarHBondContact OE1-NE2 2.95Å
125F94.1Very high97.2Very high1 Ų160 Ų600%0.00429%0.289CS..THydrogen-bonded Turntrans-103.74.7-177.5-71.8-103.4000114.2L121 E123 I127 R145 I148 A149 L152 I179 L183L121-F125 HydrophobicContact CD2-CD2 4.43Å; L121-F125 HydrophobicContact CD2-CE2 4.08Å; L121-F125 WeakPolarHBondContact O-CB 3.34Å; L121-F125 WeakPolarHBondContact O-CD2 3.49Å; L121-F125 PolarHBondContact O-N 2.93Å; E123-F125 PolarHBondContact O-N 3.5Å; E123-F125 VanDerWaalsContact O-N 3.13Å; F125-I127 HydrophobicContact CB-CD1 4.1Å; F125-I127 HydrophobicContact CB-CG1 4.03Å; F125-I127 WeakPolarHBondContact O-CG2 3.44Å; F125-I127 PolarHBondContact O-N 3.08Å; F125-R145 WeakPolarHBondContact O-CD 3.25Å; F125-R145 PolarHBondContact O-NE 2.67Å; F125-I148 HydrophobicContact CD1-CB 4.49Å; F125-I148 HydrophobicContact CE1-CB 3.92Å; F125-I148 HydrophobicContact CE1-CG2 3.51Å; F125-I148 HydrophobicContact CZ-CG2 4.12Å; F125-A149 HydrophobicContact CB-CB 4.28Å; F125-A149 HydrophobicContact CD1-CB 3.98Å; F125-A149 HydrophobicContact CD2-CB 3.92Å; F125-A149 HydrophobicContact CE1-CB 4.4Å; F125-A149 HydrophobicContact CE2-CB 4.36Å; F125-A149 HydrophobicContact CG-CB 3.76Å; F125-L152 HydrophobicContact CE1-CD1 3.99Å; F125-L152 HydrophobicContact CE2-CD1 3.72Å; F125-L152 HydrophobicContact CZ-CD1 3.12Å; F125-I179 HydrophobicContact CD1-CD1 3.77Å; F125-I179 HydrophobicContact CD1-CG1 4.17Å; F125-I179 HydrophobicContact CD1-CG2 4.06Å; F125-I179 HydrophobicContact CE1-CB 4.38Å; F125-I179 HydrophobicContact CE1-CD1 4.16Å; F125-I179 HydrophobicContact CE1-CG1 4.21Å; F125-I179 HydrophobicContact CE1-CG2 3.31Å; F125-I179 HydrophobicContact CZ-CG2 3.93Å; F125-L183 HydrophobicContact CZ-CD2 4.26Å
126H93.6Very high97.1Very high130 Ų13060.9 Ų60.960%0.60229%0.293SS*.THydrogen-bonded Turntrans51.850.9-178.4-53.4-46.6000112.9M122 E123 E128 H129M122-H126 PolarHBondContact O-N 3.46Å; M122-H126 VanDerWaalsContact O-N 3.11Å; E123-H126 PolarHBondContact O-N 3.22Å; E123-H126 VanDerWaalsContact O-N 3.09Å; E123-H126 PolarHBondContact O-ND1 3.43Å; H126-E128 WeakPolarHBondContact CA-OE2 3.17Å; H126-H129 PolarHBondContact O-CE1 2.85Å
127I96.5Very high97Very high0 Ų061 Ų610%030%0.3CS..  trans-128.910.8-178.657.3171.8000113V95 M122 F125 H129 L130 R131 R145 V146 A149V95-I127 HydrophobicContact CG1-CD1 4.04Å; M122-I127 HydrophobicContact CB-CG1 3.96Å; M122-I127 HydrophobicContact CG-CD1 4.14Å; M122-I127 HydrophobicContact CG-CG1 3.98Å; M122-I127 WeakPolarHBondContact O-CG1 3.36Å; M122-I127 PolarHBondContact O-N 3.33Å; F125-I127 HydrophobicContact CB-CD1 4.1Å; F125-I127 HydrophobicContact CB-CG1 4.03Å; F125-I127 WeakPolarHBondContact O-CG2 3.44Å; F125-I127 PolarHBondContact O-N 3.08Å; I127-H129 VanDerWaalsContact C-N 3.31Å; I127-H129 PolarHBondContact O-N 3.45Å; I127-L130 HydrophobicContact CB-CD1 4.26Å; I127-L130 HydrophobicContact CG2-CD1 4.1Å; I127-L130 WeakPolarHBondContact O-CA 3.48Å; I127-L130 WeakPolarHBondContact O-CB 3.44Å; I127-L130 PolarHBondContact O-N 2.98Å; I127-R131 PolarHBondContact O-N 3.32Å; I127-R145 HydrophobicContact CG2-CB 3.95Å; I127-V146 HydrophobicContact CB-CG2 4.38Å; I127-V146 HydrophobicContact CD1-CB 4.4Å; I127-V146 HydrophobicContact CD1-CG2 3.79Å; I127-V146 HydrophobicContact CG2-CG2 4.13Å; I127-A149 HydrophobicContact CD1-CB 4.07Å
128E97.5Very high96.9Very high83 Ų8358.7 Ų58.739%0.38829%0.292SS..G310 helixtrans-61.3-39.5178.8-45.192.4124.400111.8M122 E123 H126 L130 R131M122-E128 HydrophobicContact CB-CB 4.36Å; M122-E128 HydrophobicContact CB-CG 3.87Å; E123-E128 WeakPolarHBondContact CA-OE1 3.42Å; E123-E128 HydrophobicContact CB-CG 4.17Å; E123-E128 WeakPolarHBondContact CB-OE1 3.35Å; H126-E128 WeakPolarHBondContact CA-OE2 3.17Å; E128-L130 PolarHBondContact O-N 3.24Å; E128-L130 VanDerWaalsContact O-N 3.1Å; E128-R131 WeakPolarHBondContact O-CB 3.26Å; E128-R131 PolarHBondContact O-N 3.01Å
129H97.6Very high96.7Very high130 Ų13061.4 Ų61.460%0.60231%0.311SS*.G310 helixtrans-63.1-14.817565.2-79.6000113H126 I127H126-H129 PolarHBondContact O-CE1 2.85Å; I127-H129 VanDerWaalsContact C-N 3.31Å; I127-H129 PolarHBondContact O-N 3.45Å
130L98.1Very high96.3Very high13 Ų1359.3 Ų59.37%0.06831%0.305CS..G310 helixtrans-100.93.1177-54.6172.3000112.7V95 I127 E128 D132 S133 L138 E142V95-L130 VanDerWaalsContact CB-O 3.31Å; V95-L130 WeakPolarHBondContact CB-O 3.36Å; V95-L130 HydrophobicContact CG2-CB 3.99Å; V95-L130 WeakPolarHBondContact CG2-O 3.45Å; I127-L130 HydrophobicContact CB-CD1 4.26Å; I127-L130 HydrophobicContact CG2-CD1 4.1Å; I127-L130 WeakPolarHBondContact O-CA 3.48Å; I127-L130 WeakPolarHBondContact O-CB 3.44Å; I127-L130 PolarHBondContact O-N 2.98Å; E128-L130 PolarHBondContact O-N 3.24Å; E128-L130 VanDerWaalsContact O-N 3.1Å; L130-D132 VanDerWaalsContact C-N 3.26Å; L130-D132 PolarHBondContact O-N 2.98Å; L130-S133 WeakPolarHBondContact O-CA 3.41Å; L130-S133 WeakPolarHBondContact O-CB 3.3Å; L130-S133 PolarHBondContact O-N 3.01Å; L130-L138 HydrophobicContact CB-CD2 4.42Å; L130-L138 HydrophobicContact CD1-CD2 4.19Å; L130-L138 HydrophobicContact CD2-CD2 4.46Å; L130-E142 HydrophobicContact CD1-CB 3.75Å; L130-E142 HydrophobicContact CD1-CG 3.65Å
131R98.5Very high96.1Very high75 Ų7554.7 Ų54.728%0.28328%0.283SS..THydrogen-bonded Turntrans-40.2-52.9-174.6-178.4-170.1-176.890.64.8113.4V95 Y96 N119 M122 I127 E128V95-R131 PolarHBondContact N-O 2.87Å; Y96-R131 HydrophobicContact CG-CG 4.49Å; Y96-R131 PolarHBondContact N-O 3.43Å; N119-R131 PolarHBondContact OD1-NH1 2.86Å; M122-R131 HydrophobicContact CE-CG 4.21Å; M122-R131 HydrophobicContact SD-CB 4.09Å; M122-R131 HydrophobicContact SD-CG 4.04Å; I127-R131 PolarHBondContact O-N 3.32Å; E128-R131 WeakPolarHBondContact O-CB 3.26Å; E128-R131 PolarHBondContact O-N 3.01Å
132D98.4Very high96Very high132 Ų13256.9 Ų56.971%0.70629%0.293SS*.THydrogen-bonded Turntrans-92.7-1.4-175.3-55.8-41.3000113.3L130L130-D132 VanDerWaalsContact C-N 3.26Å; L130-D132 PolarHBondContact O-N 2.98Å
133S98.5Very high95.8Very high39 Ų3960.3 Ų60.327%0.27331%0.306SS..SBendtrans-69.8140.2176-64.50000110.8S94 V95 L130S94-S133 CarbonylContact C-O 3.53Å; S94-S133 VanDerWaalsContact CA-O 3.26Å; S94-S133 WeakPolarHBondContact CA-O 3.4Å; V95-S133 PolarHBondContact N-O 3.25Å; L130-S133 WeakPolarHBondContact O-CA 3.41Å; L130-S133 WeakPolarHBondContact O-CB 3.3Å; L130-S133 PolarHBondContact O-N 3.01Å
134M98.4Very high95.8Very high72 Ų7254.8 Ų54.836%0.35528%0.28SS..BIsolated β-bridgetrans-73140.2176.5-63.5-59.9-6400110.6R92 Q136 S137R92-M134 VanDerWaalsContact O-CE 3.24Å; R92-M134 WeakPolarHBondContact O-CE 3.41Å; M134-Q136 HydrophobicContact CB-CG 4.1Å; M134-Q136 PolarHBondContact O-N 3.5Å; M134-S137 PolarHBondContact O-N 3.28Å; M134-S137 PolarHBondContact O-OG 3.03Å
135G97.5Very high95.9Very high1 Ų153.4 Ų53.41%0.0127%0.272CS..G310 helixtrans-54.9-27.5179.500000114.3L93L93-G135 PolarHBondContact O-N 3.49Å
136Q96.4Very high96Very high119 Ų11953.4 Ų53.456%0.55627%0.272SS*.G310 helixtrans-76.1-19.417668.1-177.911.800115.5R91 M134R91-Q136 HydrophobicContact CB-CB 4.08Å; R91-Q136 WeakPolarHBondContact O-CB 3.23Å; R91-Q136 WeakPolarHBondContact O-CG 3.13Å; R91-Q136 PolarHBondContact O-N 3.11Å; R91-Q136 VanDerWaalsContact O-N 3.14Å; M134-Q136 HydrophobicContact CB-CG 4.1Å; M134-Q136 PolarHBondContact O-N 3.5Å
137S96.7Very high96.2Very high81 Ų8147.3 Ų47.357%0.56624%0.244SC*.G310 helixtrans-91-5.6-178.859.10000113.3M134M134-S137 PolarHBondContact O-N 3.28Å; M134-S137 PolarHBondContact O-OG 3.03Å
138L95.8Very high96.1Very high11 Ų1147.3 Ų47.36%0.05824%0.244CC..  trans-72.7141.3-177.6-55.7-179.9000112I89 V95 L130 E142 R143 V146I89-L138 HydrophobicContact CD1-CD1 4.4Å; V95-L138 HydrophobicContact CG2-CD1 3.97Å; V95-L138 HydrophobicContact CG2-CD2 4.04Å; L130-L138 HydrophobicContact CB-CD2 4.42Å; L130-L138 HydrophobicContact CD1-CD2 4.19Å; L130-L138 HydrophobicContact CD2-CD2 4.46Å; L138-E142 HydrophobicContact CB-CB 4.19Å; L138-E142 HydrophobicContact CD2-CB 4.5Å; L138-R143 HydrophobicContact CB-CB 3.97Å; L138-R143 HydrophobicContact CD1-CB 4.39Å; L138-R143 PolarHBondContact O-NH1 3Å; L138-V146 HydrophobicContact CD1-CB 4.35Å; L138-V146 HydrophobicContact CD1-CG2 3.89Å
139S93.3Very high96.1Very high56 Ų5643.4 Ų43.439%0.39223%0.226SC..  trans-64.8171.6167.369.40000111.7E142 R143S139-E142 VanDerWaalsContact CB-OE2 3.23Å; S139-E142 WeakPolarHBondContact CB-OE2 3.23Å; S139-E142 PolarHBondContact N-OE2 3.23Å; S139-E142 WeakPolarHBondContact OG-CB 3.32Å; S139-E142 WeakPolarHBondContact OG-CG 3.22Å; S139-E142 PolarHBondContact OG-N 3.36Å; S139-E142 PolarHBondContact OG-OE2 3.22Å; S139-R143 WeakPolarHBondContact O-CB 3.49Å; S139-R143 PolarHBondContact O-N 3.45Å
140G90.8Very high96.1Very high21 Ų2138.3 Ų38.322%0.21620%0.201CC..Hα-helixtrans-57.1-50.7179.700000113.3R144G140-R144 WeakPolarHBondContact O-CB 3.14Å; G140-R144 PolarHBondContact O-N 3.44Å
141G92Very high96Very high0 Ų038.4 Ų38.40%020%0.203CC..Hα-helixtrans-65.9-47.6179.800000113.1R143 R144 R145 S172G141-R143 PolarHBondContact O-N 3.07Å; G141-R144 PolarHBondContact O-N 2.75Å; G141-R145 PolarHBondContact O-N 3.42Å; G141-S172 WeakPolarHBondContact CA-OG 3.22Å
142E94.5Very high95.8Very high46 Ų4635.2 Ų35.222%0.21519%0.192CC..Hα-helixtrans-58.4-48.7177.1-67.9166.8150.100111.4L130 L138 S139 R144 R145 V146L130-E142 HydrophobicContact CD1-CB 3.75Å; L130-E142 HydrophobicContact CD1-CG 3.65Å; L138-E142 HydrophobicContact CB-CB 4.19Å; L138-E142 HydrophobicContact CD2-CB 4.5Å; S139-E142 VanDerWaalsContact CB-OE2 3.23Å; S139-E142 WeakPolarHBondContact CB-OE2 3.23Å; S139-E142 PolarHBondContact N-OE2 3.23Å; S139-E142 WeakPolarHBondContact OG-CB 3.32Å; S139-E142 WeakPolarHBondContact OG-CG 3.22Å; S139-E142 PolarHBondContact OG-N 3.36Å; S139-E142 PolarHBondContact OG-OE2 3.22Å; E142-R144 VanDerWaalsContact C-N 3.3Å; E142-R144 PolarHBondContact O-N 2.81Å; E142-R145 PolarHBondContact O-N 3.24Å; E142-V146 WeakPolarHBondContact O-CG2 3.48Å; E142-V146 PolarHBondContact O-N 2.82Å
143R95.4Very high95.8Very high73 Ų7328.9 Ų28.928%0.27516%0.158SC..Hα-helixtrans-56.6-45.9177.2179.9175.860.3-108.42.8111.3I89 L138 S139 G141 R145 V146 E147I89-R143 HydrophobicContact CB-CG 3.89Å; I89-R143 HydrophobicContact CG1-CG 4.37Å; I89-R143 HydrophobicContact CG2-CG 3.87Å; L138-R143 HydrophobicContact CB-CB 3.97Å; L138-R143 HydrophobicContact CD1-CB 4.39Å; L138-R143 PolarHBondContact O-NH1 3Å; S139-R143 WeakPolarHBondContact O-CB 3.49Å; S139-R143 PolarHBondContact O-N 3.45Å; G141-R143 PolarHBondContact O-N 3.07Å; R143-R145 PolarHBondContact O-N 3.14Å; R143-V146 PolarHBondContact O-N 3.4Å; R143-E147 HydrophobicContact CG-CG 4.43Å; R143-E147 VanDerWaalsContact O-CG 3.3Å; R143-E147 WeakPolarHBondContact O-CG 3.23Å; R143-E147 PolarHBondContact O-N 3.31Å
144R94.8Very high95.6Very high14 Ų1429.1 Ų29.15%0.05316%0.163CC..Hα-helixtrans-63-42.3-179.5-175.162.571.9-177.512.2111.6P84 Q85 G140 G141 E142 V146 E147 I148 E163 P164 V168 I176P84-R144 PolarHBondContact O-NH1 3.38Å; P84-R144 VanDerWaalsContact O-NH1 3.14Å; Q85-R144 PolarHBondContact O-NH2 2.81Å; G140-R144 WeakPolarHBondContact O-CB 3.14Å; G140-R144 PolarHBondContact O-N 3.44Å; G141-R144 PolarHBondContact O-N 2.75Å; E142-R144 VanDerWaalsContact C-N 3.3Å; E142-R144 PolarHBondContact O-N 2.81Å; R144-V146 PolarHBondContact O-N 3.43Å; R144-E147 IonicContact CZ-OE2 2.77Å; R144-E147 IonicContact NH1-OE2 3.6Å; R144-E147 PolarHBondContact NH1-OE2 3.47Å; R144-E147 PolarHBondContact O-N 2.77Å; R144-I148 HydrophobicContact CG-CD1 4.2Å; R144-I148 WeakPolarHBondContact O-CG1 3.38Å; R144-I148 PolarHBondContact O-N 2.98Å; R144-E163 PolarHBondContact NH2-O 2.89Å; R144-P164 PolarHBondContact NE-O 2.81Å; R144-V168 HydrophobicContact CB-CG1 4.02Å; R144-V168 HydrophobicContact CG-CG1 4.33Å; R144-I176 HydrophobicContact CB-CD1 4.19Å; R144-I176 HydrophobicContact CG-CD1 3.7Å; R144-I176 HydrophobicContact CG-CG1 4.37Å
145R95Very high95.4Very high25 Ų2530.6 Ų30.69%0.09417%0.172CC..Hα-helixtrans-60.4-44.2174.7-68.7-165-63.3-90.8-1.5112F125 I127 G141 E142 R143 E147 I148 A149 D175 I179F125-R145 WeakPolarHBondContact O-CD 3.25Å; F125-R145 PolarHBondContact O-NE 2.67Å; I127-R145 HydrophobicContact CG2-CB 3.95Å; G141-R145 PolarHBondContact O-N 3.42Å; E142-R145 PolarHBondContact O-N 3.24Å; R143-R145 PolarHBondContact O-N 3.14Å; R145-E147 VanDerWaalsContact C-N 3.34Å; R145-E147 PolarHBondContact O-N 3.41Å; R145-I148 PolarHBondContact O-N 2.93Å; R145-A149 WeakPolarHBondContact O-CB 3.38Å; R145-A149 PolarHBondContact O-N 3.22Å; R145-D175 IonicContact NH1-OD2 2.93Å; R145-I179 HydrophobicContact CB-CD1 4.45Å; R145-I179 HydrophobicContact CG-CD1 3.68Å
146V97.1Very high95.3Very high0 Ų030.9 Ų30.90%017%0.174CC..Hα-helixtrans-62.7-40.4176.1178.20000111.7I89 V95 N98 I127 L138 E142 R143 R144 A149 R150I89-V146 HydrophobicContact CD1-CB 4.12Å; I89-V146 HydrophobicContact CD1-CG1 3.5Å; V95-V146 HydrophobicContact CB-CG2 4.49Å; V95-V146 HydrophobicContact CG1-CG1 4.06Å; V95-V146 HydrophobicContact CG1-CG2 3.8Å; V95-V146 HydrophobicContact CG2-CG1 4.47Å; V95-V146 HydrophobicContact CG2-CG2 3.9Å; N98-V146 HydrophobicContact CB-CG1 4.28Å; I127-V146 HydrophobicContact CB-CG2 4.38Å; I127-V146 HydrophobicContact CD1-CB 4.4Å; I127-V146 HydrophobicContact CD1-CG2 3.79Å; I127-V146 HydrophobicContact CG2-CG2 4.13Å; L138-V146 HydrophobicContact CD1-CB 4.35Å; L138-V146 HydrophobicContact CD1-CG2 3.89Å; E142-V146 WeakPolarHBondContact O-CG2 3.48Å; E142-V146 PolarHBondContact O-N 2.82Å; R143-V146 PolarHBondContact O-N 3.4Å; R144-V146 PolarHBondContact O-N 3.43Å; V146-A149 PolarHBondContact O-N 2.97Å; V146-R150 VanDerWaalsContact O-CB 3.3Å; V146-R150 WeakPolarHBondContact O-CB 3.27Å; V146-R150 PolarHBondContact O-N 3.49Å
147E96.7Very high95.3Very high3 Ų330.2 Ų30.21%0.01417%0.169CC..Hα-helixtrans-65.6-39.8178-70.8171.5164.600112.4L83 A87 S88 I89 R143 R144 R145 R150 A151L83-E147 HydrophobicContact CD1-CB 3.54Å; A87-E147 WeakPolarHBondContact CA-OE1 3.41Å; S88-E147 PolarHBondContact N-OE1 2.79Å; I89-E147 HydrophobicContact CB-CG 4.21Å; I89-E147 HydrophobicContact CD1-CG 4.44Å; I89-E147 PolarHBondContact N-OE1 2.71Å; R143-E147 HydrophobicContact CG-CG 4.43Å; R143-E147 VanDerWaalsContact O-CG 3.3Å; R143-E147 WeakPolarHBondContact O-CG 3.23Å; R143-E147 PolarHBondContact O-N 3.31Å; R144-E147 IonicContact CZ-OE2 2.77Å; R144-E147 IonicContact NH1-OE2 3.6Å; R144-E147 PolarHBondContact NH1-OE2 3.47Å; R144-E147 PolarHBondContact O-N 2.77Å; R145-E147 VanDerWaalsContact C-N 3.34Å; R145-E147 PolarHBondContact O-N 3.41Å; E147-R150 PolarHBondContact O-N 3.25Å; E147-A151 PolarHBondContact O-N 3.27Å
148I95.9Very high95.4Very high0 Ų026.4 Ų26.40%014%0.142CC..Hα-helixtrans-65.9-49.1174.4-61.4162.3000110.1L83 F125 R144 R145 R150 A151 L152 I176 I179 L183L83-I148 HydrophobicContact CD1-CG1 4.48Å; L83-I148 HydrophobicContact CD2-CD1 4.46Å; L83-I148 HydrophobicContact CD2-CG1 3.77Å; F125-I148 HydrophobicContact CD1-CB 4.49Å; F125-I148 HydrophobicContact CE1-CB 3.92Å; F125-I148 HydrophobicContact CE1-CG2 3.51Å; F125-I148 HydrophobicContact CZ-CG2 4.12Å; R144-I148 HydrophobicContact CG-CD1 4.2Å; R144-I148 WeakPolarHBondContact O-CG1 3.38Å; R144-I148 PolarHBondContact O-N 2.98Å; R145-I148 PolarHBondContact O-N 2.93Å; I148-R150 PolarHBondContact O-N 3.18Å; I148-A151 WeakPolarHBondContact O-CB 3.42Å; I148-A151 PolarHBondContact O-N 3.3Å; I148-L152 HydrophobicContact CG2-CD1 4Å; I148-L152 WeakPolarHBondContact O-CG 3.35Å; I148-L152 PolarHBondContact O-N 2.87Å; I148-L152 VanDerWaalsContact O-N 3.09Å; I148-I176 HydrophobicContact CD1-CG2 4.15Å; I148-I179 HydrophobicContact CD1-CG2 4.41Å; I148-I179 HydrophobicContact CG2-CG2 4.07Å; I148-L183 HydrophobicContact CG2-CD1 4.1Å
149A96.9Very high95.5Very high0 Ų025.9 Ų25.90%014%0.139CC..Hα-helixtrans-54.8-42.9176.800000111.6L99 F125 I127 R145 V146 L152 A153L99-A149 HydrophobicContact CD2-CB 3.89Å; F125-A149 HydrophobicContact CB-CB 4.28Å; F125-A149 HydrophobicContact CD1-CB 3.98Å; F125-A149 HydrophobicContact CD2-CB 3.92Å; F125-A149 HydrophobicContact CE1-CB 4.4Å; F125-A149 HydrophobicContact CE2-CB 4.36Å; F125-A149 HydrophobicContact CG-CB 3.76Å; I127-A149 HydrophobicContact CD1-CB 4.07Å; R145-A149 WeakPolarHBondContact O-CB 3.38Å; R145-A149 PolarHBondContact O-N 3.22Å; V146-A149 PolarHBondContact O-N 2.97Å; A149-L152 PolarHBondContact O-N 2.83Å; A149-A153 PolarHBondContact O-N 3.28Å
150R97Very high95.8Very high24 Ų2423.2 Ų23.29%0.09112%0.121CC..Hα-helixtrans-65.8-37.7176-174-178.761177.81112.9S88 N98 L99 V102 V146 E147 I148 L152 A153S88-R150 VanDerWaalsContact O-CZ 3.3Å; S88-R150 PolarHBondContact O-NH1 3.28Å; S88-R150 PolarHBondContact O-NH2 3.1Å; S88-R150 PolarHBondContact OG-NH2 2.9Å; N98-R150 VanDerWaalsContact O-CD 3.23Å; N98-R150 WeakPolarHBondContact O-CD 3.47Å; N98-R150 WeakPolarHBondContact O-CG 3.44Å; N98-R150 PolarHBondContact OD1-NH1 2.95Å; L99-R150 HydrophobicContact CD2-CB 3.89Å; V102-R150 HydrophobicContact CG2-CG 3.63Å; V146-R150 VanDerWaalsContact O-CB 3.3Å; V146-R150 WeakPolarHBondContact O-CB 3.27Å; V146-R150 PolarHBondContact O-N 3.49Å; E147-R150 PolarHBondContact O-N 3.25Å; I148-R150 PolarHBondContact O-N 3.18Å; R150-L152 PolarHBondContact O-N 3.42Å; R150-A153 WeakPolarHBondContact O-CB 3.47Å; R150-A153 PolarHBondContact O-N 2.92Å
151A95.8Very high96.1Very high14 Ų1422.2 Ų22.212%0.11611%0.111CC..Hα-helixtrans-62.9-31.3174.500000111.7E147 I148 I159E147-A151 PolarHBondContact O-N 3.27Å; I148-A151 WeakPolarHBondContact O-CB 3.42Å; I148-A151 PolarHBondContact O-N 3.3Å; A151-I159 HydrophobicContact CB-CD1 4.01Å
152L96Very high96.3Very high8 Ų822.2 Ų22.24%0.04211%0.111CC..Hα-helixtrans-83.4-21.2178.7-64.3163.2000114.1L121 F125 I148 A149 R150 A154 N155 P156 I159 L183 L188L121-L152 HydrophobicContact CD2-CB 4.06Å; F125-L152 HydrophobicContact CE1-CD1 3.99Å; F125-L152 HydrophobicContact CE2-CD1 3.72Å; F125-L152 HydrophobicContact CZ-CD1 3.12Å; I148-L152 HydrophobicContact CG2-CD1 4Å; I148-L152 WeakPolarHBondContact O-CG 3.35Å; I148-L152 PolarHBondContact O-N 2.87Å; I148-L152 VanDerWaalsContact O-N 3.09Å; A149-L152 PolarHBondContact O-N 2.83Å; R150-L152 PolarHBondContact O-N 3.42Å; L152-A154 PolarHBondContact O-N 2.82Å; L152-A154 VanDerWaalsContact O-N 3.1Å; L152-N155 WeakPolarHBondContact O-CA 3.18Å; L152-N155 PolarHBondContact O-N 3.37Å; L152-P156 HydrophobicContact CD2-CG 4.03Å; L152-I159 HydrophobicContact CD2-CD1 3.94Å; L152-I159 HydrophobicContact CG-CD1 4.2Å; L152-L183 HydrophobicContact CD1-CD1 4.04Å; L152-L183 HydrophobicContact CD1-CD2 3.3Å; L152-L183 HydrophobicContact CD1-CG 4.28Å; L152-L183 HydrophobicContact CD2-CD1 4.31Å; L152-L183 HydrophobicContact CD2-CD2 3.73Å; L152-L183 HydrophobicContact CG-CD2 4.15Å; L152-L188 HydrophobicContact CD2-CD2 3.35Å
153A96.6Very high96.3Very high0 Ų020.9 Ų20.90%010%0.104CC..Hα-helixtrans-55.5-26.5171.400000112.8V102 L103 R106 L121 A149 R150 N155V102-A153 HydrophobicContact CB-CB 3.89Å; V102-A153 HydrophobicContact CG1-CB 3.82Å; L103-A153 HydrophobicContact CD2-CB 3.88Å; L103-A153 HydrophobicContact CG-CB 3.94Å; R106-A153 PolarHBondContact NH1-O 2.81Å; L121-A153 HydrophobicContact CD1-CB 3.83Å; A149-A153 PolarHBondContact O-N 3.28Å; R150-A153 WeakPolarHBondContact O-CB 3.47Å; R150-A153 PolarHBondContact O-N 2.92Å; A153-N155 PolarHBondContact O-N 2.93Å
154A94.2Very high96.3Very high44 Ų4417.4 Ų17.436%0.3649%0.091SC..THydrogen-bonded Turntrans-73.5-4.1173.700000114.2V102 L152V102-A154 HydrophobicContact CG1-CB 3.95Å; L152-A154 PolarHBondContact O-N 2.82Å; L152-A154 VanDerWaalsContact O-N 3.1Å
155N94.5Very high96.2Very high103 Ų10317 Ų1755%0.5519%0.09SC*.  trans51.658.9-174.9-170.633.7000113.8R106 L152 A153R106-N155 VanDerWaalsContact NH1-CB 3.26Å; L152-N155 WeakPolarHBondContact O-CA 3.18Å; L152-N155 PolarHBondContact O-N 3.37Å; A153-N155 PolarHBondContact O-N 2.93Å
156P96.6Very high95.9Very high7 Ų716.9 Ų16.95%0.0459%0.094CC..  trans-73.6154-18033.3-35.9000112.2G79 L152 F158 L188G79-P156 CarbonylContact O-C 3.58Å; G79-P156 WeakPolarHBondContact O-CB 3.11Å; L152-P156 HydrophobicContact CD2-CG 4.03Å; P156-F158 WeakPolarHBondContact CB-O 3.46Å; P156-L188 HydrophobicContact CG-CD2 4.18Å
157K96.5Very high95.3Very high105 Ų10520.5 Ų20.546%0.45713%0.131SC..SBendtrans-85.8-30.8166.7-62-178.9-179.8-179.10111.8A2 G79 G189A2-K157 HydrophobicContact CB-CD 4.4Å; G79-K157 PolarHBondContact O-N 3.43Å; K157-G189 PolarHBondContact O-N 2.99Å
158F98.4Very high94.9Very high1 Ų121.4 Ų21.40%0.00414%0.137CC..EExtended strand (participates in β ladder)trans-129.9137.6178.4-57.4-81.9000110A2 T3 L4 V26 I62 G79 G81 P156 G189A2-F158 HydrophobicContact CB-CE2 4.08Å; A2-F158 HydrophobicContact CB-CZ 3.76Å; T3-F158 VanDerWaalsContact C-CZ 3.49Å; L4-F158 HydrophobicContact CB-CD1 3.66Å; L4-F158 HydrophobicContact CB-CD2 3.94Å; L4-F158 HydrophobicContact CB-CE1 3.68Å; L4-F158 HydrophobicContact CB-CE2 3.94Å; L4-F158 HydrophobicContact CB-CG 3.81Å; L4-F158 HydrophobicContact CB-CZ 3.81Å; L4-F158 HydrophobicContact CD2-CB 4.09Å; L4-F158 HydrophobicContact CD2-CD1 4.39Å; L4-F158 HydrophobicContact CD2-CG 4.11Å; L4-F158 VanDerWaalsContact N-CZ 3.26Å; V26-F158 HydrophobicContact CG1-CD1 4.32Å; V26-F158 WeakPolarHBondContact O-CE1 3.43Å; I62-F158 HydrophobicContact CD1-CD2 4.34Å; I62-F158 HydrophobicContact CD1-CE2 4.46Å; I62-F158 HydrophobicContact CG1-CE2 4.38Å; I62-F158 HydrophobicContact CG2-CE2 3.96Å; G79-F158 PolarHBondContact O-N 3.28Å; G81-F158 PolarHBondContact N-O 3.15Å; P156-F158 WeakPolarHBondContact CB-O 3.46Å; F158-G189 CarbonylContact C-O 3.53Å; F158-G189 WeakPolarHBondContact CA-O 3.36Å
159I98Very high94.7Very high0 Ų024.6 Ų24.60%015%0.154CC..EExtended strand (participates in β ladder)trans-122128174.6-169.2168000110.5A151 L152 L161 L183 L188 G189 V190 L191A151-I159 HydrophobicContact CB-CD1 4.01Å; L152-I159 HydrophobicContact CD2-CD1 3.94Å; L152-I159 HydrophobicContact CG-CD1 4.2Å; I159-L161 HydrophobicContact CD1-CD2 3.77Å; I159-L161 HydrophobicContact CG1-CD2 3.76Å; I159-L161 HydrophobicContact CG1-CG 4.38Å; I159-L183 HydrophobicContact CG2-CD1 4.42Å; I159-L188 HydrophobicContact CG2-CD2 4.41Å; I159-G189 PolarHBondContact N-O 3.32Å; I159-V190 HydrophobicContact CG2-CB 4.28Å; I159-V190 HydrophobicContact CG2-CG1 4.16Å; I159-V190 HydrophobicContact CG2-CG2 3.83Å; I159-V190 WeakPolarHBondContact O-CA 3.26Å; I159-L191 PolarHBondContact O-N 2.86Å
160L98.5Very high94.4Very high0 Ų029.9 Ų29.90%019%0.188CC..EExtended strand (participates in β ladder)trans-98.3117.4174.8-85.266.7000108.8L4 F46 V49 V50 I80 G81 Y82 L83 L191L4-L160 HydrophobicContact CD2-CD1 4.1Å; F46-L160 HydrophobicContact CB-CD2 4.43Å; F46-L160 HydrophobicContact CD1-CB 3.88Å; F46-L160 HydrophobicContact CD1-CD2 4.03Å; F46-L160 HydrophobicContact CD1-CG 4.2Å; F46-L160 HydrophobicContact CE1-CB 3.84Å; F46-L160 HydrophobicContact CE1-CD2 4.46Å; F46-L160 HydrophobicContact CE1-CG 4.18Å; F46-L160 HydrophobicContact CG-CD2 4.15Å; V49-L160 HydrophobicContact CB-CD2 3.88Å; V49-L160 HydrophobicContact CG1-CD1 4.41Å; V49-L160 HydrophobicContact CG1-CD2 3.65Å; V50-L160 HydrophobicContact CG2-CD2 3.71Å; I80-L160 HydrophobicContact CG2-CD1 4.25Å; G81-L160 PolarHBondContact O-N 2.93Å; Y82-L160 WeakPolarHBondContact CA-O 3.35Å; Y82-L160 HydrophobicContact CD2-CB 3.86Å; Y82-L160 WeakPolarHBondContact CD2-O 3.25Å; L83-L160 PolarHBondContact N-O 3.3Å; L160-L191 CarbonylContact C-O 3.5Å; L160-L191 WeakPolarHBondContact CA-O 3.47Å; L160-L191 HydrophobicContact CD1-CB 4.21Å; L160-L191 HydrophobicContact CD2-CD2 4.23Å; L160-L191 HydrophobicContact CG-CB 4.03Å; L160-L191 HydrophobicContact CG-CD2 4.04Å; L160-L191 HydrophobicContact CG-CG 4.47Å
161L97.8Very high94.1Very high0 Ų034.7 Ų34.70%021%0.214CC..EExtended strand (participates in β ladder)trans-108.4103.2-179.8-56.3178.7000109.8L83 I159 P164 I180 V190 L191 I192 T193L83-L161 HydrophobicContact CB-CD2 3.73Å; L83-L161 HydrophobicContact CD2-CD2 3.86Å; L83-L161 HydrophobicContact CG-CD2 4.47Å; I159-L161 HydrophobicContact CD1-CD2 3.77Å; I159-L161 HydrophobicContact CG1-CD2 3.76Å; I159-L161 HydrophobicContact CG1-CG 4.38Å; L161-P164 HydrophobicContact CB-CB 4.3Å; L161-P164 HydrophobicContact CB-CG 4Å; L161-I180 HydrophobicContact CD1-CD1 3.99Å; L161-I180 HydrophobicContact CD1-CG1 3.66Å; L161-I180 HydrophobicContact CD1-CG2 4.48Å; L161-V190 HydrophobicContact CD1-CG1 3.77Å; L161-V190 HydrophobicContact CG-CG1 4.23Å; L161-L191 PolarHBondContact N-O 3.21Å; L161-I192 HydrophobicContact CB-CB 4.43Å; L161-I192 HydrophobicContact CB-CG1 4.24Å; L161-T193 PolarHBondContact O-N 3Å; L161-T193 VanDerWaalsContact O-N 3.07Å
162D96.5Very high93.8Very high0 Ų034.5 Ų34.50%021%0.212CC..EExtended strand (participates in β ladder)trans-92.1106178.5-166.216.1000110T43 F46 Y82 L83 P84 Q85 T193T43-D162 WeakPolarHBondContact CG2-OD2 3.44Å; F46-D162 HydrophobicContact CD1-CB 3.97Å; F46-D162 HydrophobicContact CE1-CB 4.24Å; Y82-D162 HydrophobicContact CE2-CB 3.97Å; Y82-D162 PolarHBondContact OH-OD2 2.86Å; L83-D162 WeakPolarHBondContact O-CB 3.41Å; L83-D162 PolarHBondContact O-N 2.97Å; P84-D162 CarbonylContact C-O 3.59Å; Q85-D162 WeakPolarHBondContact CA-O 3.43Å; Q85-D162 HydrophobicContact CB-CB 4.44Å; Q85-D162 PolarHBondContact N-O 3.43Å; D162-T193 HydrophobicContact CB-CG2 4.3Å; D162-T193 WeakPolarHBondContact OD1-CG2 3.43Å
163E94.6Very high93.7Very high17 Ų1734.7 Ų34.78%0.07921%0.214CC..SBendtrans50.157.4-177.3-49.6-162.3-166.900115Q85 R144 F165 A166 T193 D194 H195Q85-E163 HydrophobicContact CB-CB 4.42Å; Q85-E163 VanDerWaalsContact CD-CD 3.5Å; Q85-E163 HydrophobicContact CG-CB 4.05Å; Q85-E163 HydrophobicContact CG-CG 4.15Å; Q85-E163 PolarHBondContact NE2-OE1 2.84Å; Q85-E163 PolarHBondContact NE2-OE2 3.44Å; R144-E163 PolarHBondContact NH2-O 2.89Å; E163-F165 PolarHBondContact O-N 2.91Å; E163-A166 HydrophobicContact CB-CB 3.88Å; E163-A166 WeakPolarHBondContact O-CB 3.43Å; E163-A166 PolarHBondContact O-N 3.47Å; E163-A166 VanDerWaalsContact O-N 3.12Å; E163-T193 WeakPolarHBondContact CA-O 3.31Å; E163-T193 PolarHBondContact N-O 3.18Å; E163-D194 VanDerWaalsContact CA-OD2 3.22Å; E163-D194 WeakPolarHBondContact CA-OD2 3.19Å; E163-H195 IonicContact OE2-CE1 2.72Å; E163-H195 IonicContact OE2-ND1 2.92Å; E163-H195 PolarHBondContact OE2-ND1 3.04Å
164P94.9Very high93.6Very high0 Ų038.9 Ų38.90%024%0.235CC..THydrogen-bonded Turntrans-64.4-23.1-177.828.8-35.6000113.4L83 R144 L161 I176 I180 I192 T193 D194L83-P164 HydrophobicContact CD2-CB 4.15Å; R144-P164 PolarHBondContact NE-O 2.81Å; L161-P164 HydrophobicContact CB-CB 4.3Å; L161-P164 HydrophobicContact CB-CG 4Å; P164-I176 HydrophobicContact CB-CG2 4.32Å; P164-I180 HydrophobicContact CG-CD1 4.31Å; P164-I192 HydrophobicContact CG-CD1 3.51Å; P164-I192 HydrophobicContact CG-CG1 3.89Å; P164-T193 WeakPolarHBondContact CD-O 3.44Å; P164-D194 WeakPolarHBondContact CD-OD2 3.27Å
165F93.4Very high93.5Very high7 Ų739.2 Ų39.23%0.03123%0.231CC..THydrogen-bonded Turntrans-90.7-1.1178.5-49.7-56.1000113.1E163 G167 V168 V173 I176 K177 I180 I192 D194 E199E163-F165 PolarHBondContact O-N 2.91Å; F165-G167 PolarHBondContact O-N 3.3Å; F165-V168 VanDerWaalsContact C-CG2 3.5Å; F165-V168 HydrophobicContact CB-CG2 4.42Å; F165-V168 WeakPolarHBondContact O-CG2 3.46Å; F165-V173 HydrophobicContact CB-CG2 4.38Å; F165-V173 HydrophobicContact CD1-CG1 3.92Å; F165-V173 HydrophobicContact CD1-CG2 4.41Å; F165-V173 HydrophobicContact CE1-CG1 4.27Å; F165-V173 HydrophobicContact CG-CG1 4.44Å; F165-I176 HydrophobicContact CD1-CB 4.33Å; F165-I176 HydrophobicContact CD1-CG2 3.97Å; F165-I176 HydrophobicContact CE1-CB 4.11Å; F165-I176 HydrophobicContact CE1-CG2 3.65Å; F165-K177 HydrophobicContact CE1-CG 3.65Å; F165-K177 HydrophobicContact CZ-CG 3.69Å; F165-I180 HydrophobicContact CE1-CD1 3.99Å; F165-I180 HydrophobicContact CZ-CD1 3.76Å; F165-I192 HydrophobicContact CE2-CD1 3.96Å; F165-I192 HydrophobicContact CZ-CD1 4.2Å; F165-D194 WeakPolarHBondContact CA-OD2 3.25Å; F165-D194 VanDerWaalsContact CB-OD2 3.32Å; F165-D194 WeakPolarHBondContact CB-OD2 3.45Å; F165-D194 HydrophobicContact CD2-CB 4.06Å; F165-D194 WeakPolarHBondContact CD2-OD2 3.13Å; F165-D194 PolarHBondContact N-OD2 3.15Å; F165-E199 HydrophobicContact CD2-CB 4.18Å; F165-E199 HydrophobicContact CE2-CB 4.15Å
166A88.2Confident93.5Very high22 Ų2234.3 Ų34.318%0.18221%0.205CC..THydrogen-bonded Turntrans-70.1128.317800000112.2E163 V168E163-A166 HydrophobicContact CB-CB 3.88Å; E163-A166 WeakPolarHBondContact O-CB 3.43Å; E163-A166 PolarHBondContact O-N 3.47Å; E163-A166 VanDerWaalsContact O-N 3.12Å; A166-V168 VanDerWaalsContact C-N 3.27Å; A166-V168 PolarHBondContact O-N 2.83Å
167G84.9Confident93.4Very high76 Ų7635.7 Ų35.778%0.78421%0.21SC*.THydrogen-bonded Turntrans71.116.7173.900000115F165F165-G167 PolarHBondContact O-N 3.3Å
168V88.5Confident93.4Very high21 Ų2138 Ų3813%0.12722%0.216CC..  trans-107145.4173.3-670000110.6R144 F165 A166 V173 I176R144-V168 HydrophobicContact CB-CG1 4.02Å; R144-V168 HydrophobicContact CG-CG1 4.33Å; F165-V168 VanDerWaalsContact C-CG2 3.5Å; F165-V168 HydrophobicContact CB-CG2 4.42Å; F165-V168 WeakPolarHBondContact O-CG2 3.46Å; A166-V168 VanDerWaalsContact C-N 3.27Å; A166-V168 PolarHBondContact O-N 2.83Å; V168-V173 HydrophobicContact CG2-CG2 3.64Å; V168-I176 HydrophobicContact CB-CD1 4.16Å; V168-I176 HydrophobicContact CG1-CD1 3.86Å; V168-I176 HydrophobicContact CG2-CD1 3.89Å
169D91.2Very high93.2Very high68 Ų6838.7 Ų38.736%0.36422%0.219SC..  trans-71.5160.6178.267.589.9000111.6I171 S172 V173D169-I171 PolarHBondContact O-N 2.96Å; D169-I171 VanDerWaalsContact O-N 3.15Å; D169-I171 WeakPolarHBondContact OD1-CB 3.15Å; D169-I171 PolarHBondContact OD1-N 3.46Å; D169-S172 WeakPolarHBondContact O-CB 3.34Å; D169-S172 PolarHBondContact O-N 3.15Å; D169-S172 VanDerWaalsContact O-N 3.09Å; D169-S172 PolarHBondContact OD1-N 2.78Å; D169-S172 VanDerWaalsContact OD2-CB 3.28Å; D169-S172 WeakPolarHBondContact OD2-CB 3.45Å; D169-S172 PolarHBondContact OD2-OG 2.99Å; D169-V173 PolarHBondContact O-N 3.28Å
170P90.5Very high93.1Very high110 Ų11038.7 Ų38.771%0.71422%0.219SC*.Hα-helixtrans-57.9-29.9-175.7-27.836.1000115.3
171I90.6Very high93.1Very high125 Ų12541.7 Ų41.764%0.64123%0.233SC*.Hα-helixtrans-71.4-47178.1-58.6172.3000108.6D169 V173 I174 D175D169-I171 PolarHBondContact O-N 2.96Å; D169-I171 VanDerWaalsContact O-N 3.15Å; D169-I171 WeakPolarHBondContact OD1-CB 3.15Å; D169-I171 PolarHBondContact OD1-N 3.46Å; I171-V173 VanDerWaalsContact C-N 3.26Å; I171-V173 PolarHBondContact O-N 3.03Å; I171-I174 WeakPolarHBondContact O-CB 3.19Å; I171-I174 PolarHBondContact O-N 3.47Å; I171-I174 VanDerWaalsContact O-N 3.09Å; I171-D175 PolarHBondContact O-N 2.79Å
172S90.5Very high93Very high11 Ų1146 Ų468%0.07725%0.253CS..Hα-helixtrans-60.9-31.3176.3-65.40000113.4G141 D169 I174 D175 I176G141-S172 WeakPolarHBondContact CA-OG 3.22Å; D169-S172 WeakPolarHBondContact O-CB 3.34Å; D169-S172 PolarHBondContact O-N 3.15Å; D169-S172 VanDerWaalsContact O-N 3.09Å; D169-S172 PolarHBondContact OD1-N 2.78Å; D169-S172 VanDerWaalsContact OD2-CB 3.28Å; D169-S172 WeakPolarHBondContact OD2-CB 3.45Å; D169-S172 PolarHBondContact OD2-OG 2.99Å; S172-I174 VanDerWaalsContact C-N 3.3Å; S172-I174 PolarHBondContact O-N 3.29Å; S172-D175 PolarHBondContact O-N 3.24Å; S172-I176 WeakPolarHBondContact O-CD1 3.43Å; S172-I176 VanDerWaalsContact O-CG1 3.28Å; S172-I176 WeakPolarHBondContact O-CG1 3.16Å; S172-I176 PolarHBondContact O-N 3.4Å
173V93.9Very high92.9Very high11 Ų1146.1 Ų46.17%0.06725%0.254CS..Hα-helixtrans-59.3-42.2174.1170.40000111.3F165 V168 D169 I171 D175 I176 K177 E199F165-V173 HydrophobicContact CB-CG2 4.38Å; F165-V173 HydrophobicContact CD1-CG1 3.92Å; F165-V173 HydrophobicContact CD1-CG2 4.41Å; F165-V173 HydrophobicContact CE1-CG1 4.27Å; F165-V173 HydrophobicContact CG-CG1 4.44Å; V168-V173 HydrophobicContact CG2-CG2 3.64Å; D169-V173 PolarHBondContact O-N 3.28Å; I171-V173 VanDerWaalsContact C-N 3.26Å; I171-V173 PolarHBondContact O-N 3.03Å; V173-D175 VanDerWaalsContact C-N 3.32Å; V173-D175 PolarHBondContact O-N 2.85Å; V173-I176 PolarHBondContact O-N 2.62Å; V173-K177 HydrophobicContact CG1-CD 4.08Å; V173-K177 HydrophobicContact CG1-CG 4.42Å; V173-K177 WeakPolarHBondContact O-CG 3.28Å; V173-K177 PolarHBondContact O-N 2.75Å; V173-E199 HydrophobicContact CG1-CB 4.19Å; V173-E199 HydrophobicContact CG1-CG 3.89Å
174I93.6Very high93Very high88 Ų8847.2 Ų47.245%0.45126%0.257SS..Hα-helixtrans-61.7-43.3178.8-63.3167.1000110.3I171 S172 K177 R178I171-I174 WeakPolarHBondContact O-CB 3.19Å; I171-I174 PolarHBondContact O-N 3.47Å; I171-I174 VanDerWaalsContact O-N 3.09Å; S172-I174 VanDerWaalsContact C-N 3.3Å; S172-I174 PolarHBondContact O-N 3.29Å; I174-K177 PolarHBondContact O-N 3.1Å; I174-R178 WeakPolarHBondContact O-CG 3.47Å; I174-R178 PolarHBondContact O-N 3.35Å
175D92Very high93.1Very high51 Ų5152.7 Ų52.727%0.27329%0.286SS..Hα-helixtrans-64.8-43178.1-64.6-24.3000111.7R145 I171 S172 V173 K177 R178 I179R145-D175 IonicContact NH1-OD2 2.93Å; I171-D175 PolarHBondContact O-N 2.79Å; S172-D175 PolarHBondContact O-N 3.24Å; V173-D175 VanDerWaalsContact C-N 3.32Å; V173-D175 PolarHBondContact O-N 2.85Å; D175-K177 VanDerWaalsContact C-N 3.34Å; D175-K177 PolarHBondContact O-N 3.07Å; D175-R178 PolarHBondContact O-N 3.36Å; D175-I179 WeakPolarHBondContact O-CG1 3.49Å; D175-I179 PolarHBondContact O-N 3.5Å
176I93.6Very high93.2Very high0 Ų055.5 Ų55.50%031%0.307CS..Hα-helixtrans-65.3-37.9178.6-66.6160.6000111.1R144 I148 P164 F165 V168 S172 V173 I179 I180R144-I176 HydrophobicContact CB-CD1 4.19Å; R144-I176 HydrophobicContact CG-CD1 3.7Å; R144-I176 HydrophobicContact CG-CG1 4.37Å; I148-I176 HydrophobicContact CD1-CG2 4.15Å; P164-I176 HydrophobicContact CB-CG2 4.32Å; F165-I176 HydrophobicContact CD1-CB 4.33Å; F165-I176 HydrophobicContact CD1-CG2 3.97Å; F165-I176 HydrophobicContact CE1-CB 4.11Å; F165-I176 HydrophobicContact CE1-CG2 3.65Å; V168-I176 HydrophobicContact CB-CD1 4.16Å; V168-I176 HydrophobicContact CG1-CD1 3.86Å; V168-I176 HydrophobicContact CG2-CD1 3.89Å; S172-I176 WeakPolarHBondContact O-CD1 3.43Å; S172-I176 VanDerWaalsContact O-CG1 3.28Å; S172-I176 WeakPolarHBondContact O-CG1 3.16Å; S172-I176 PolarHBondContact O-N 3.4Å; V173-I176 PolarHBondContact O-N 2.62Å; I176-I179 WeakPolarHBondContact O-CB 3.28Å; I176-I179 PolarHBondContact O-N 3.12Å; I176-I180 HydrophobicContact CG2-CD1 3.79Å; I176-I180 HydrophobicContact CG2-CG1 4.38Å; I176-I180 WeakPolarHBondContact O-CD1 3.22Å; I176-I180 VanDerWaalsContact O-CG1 3.25Å; I176-I180 WeakPolarHBondContact O-CG1 3.36Å; I176-I180 PolarHBondContact O-N 3.15Å
177K96.1Very high93.5Very high37 Ų3756.1 Ų56.116%0.16132%0.316CS..Hα-helixtrans-60.3-46.1174.5-73173.773.3-179.60111.7F165 V173 I174 D175 I179 I180 E181 E199 V203F165-K177 HydrophobicContact CE1-CG 3.65Å; F165-K177 HydrophobicContact CZ-CG 3.69Å; V173-K177 HydrophobicContact CG1-CD 4.08Å; V173-K177 HydrophobicContact CG1-CG 4.42Å; V173-K177 WeakPolarHBondContact O-CG 3.28Å; V173-K177 PolarHBondContact O-N 2.75Å; I174-K177 PolarHBondContact O-N 3.1Å; D175-K177 VanDerWaalsContact C-N 3.34Å; D175-K177 PolarHBondContact O-N 3.07Å; K177-I179 VanDerWaalsContact C-N 3.31Å; K177-I179 PolarHBondContact O-N 2.82Å; K177-I180 PolarHBondContact O-N 3.34Å; K177-I180 VanDerWaalsContact O-N 3.15Å; K177-E181 WeakPolarHBondContact O-CG 3.46Å; K177-E181 PolarHBondContact O-N 2.9Å; K177-E199 HydrophobicContact CD-CB 4.36Å; K177-E199 VanDerWaalsContact CD-OE2 3.31Å; K177-E199 WeakPolarHBondContact CD-OE2 3.1Å; K177-E199 WeakPolarHBondContact CE-OE2 3.48Å; K177-E199 IonicContact NZ-OE2 3.82Å; K177-E199 PolarHBondContact NZ-OE2 2.84Å; K177-V203 HydrophobicContact CB-CG1 3.74Å; K177-V203 HydrophobicContact CD-CG1 4.31Å; K177-V203 HydrophobicContact CG-CG1 3.75Å
178R95.2Very high94.1Very high154 Ų15453.6 Ų53.658%0.58128%0.284SS*.Hα-helixtrans-61-40.7176.5-70.4174178.9169.5-0.7112.2I174 D175 E181 H182I174-R178 WeakPolarHBondContact O-CG 3.47Å; I174-R178 PolarHBondContact O-N 3.35Å; D175-R178 PolarHBondContact O-N 3.36Å; R178-E181 PolarHBondContact O-N 2.72Å; R178-H182 WeakPolarHBondContact O-CB 3.37Å; R178-H182 PolarHBondContact O-N 2.77Å
179I94.7Very high94.6Very high15 Ų1552.6 Ų52.68%0.07728%0.278CS..Hα-helixtrans-58.4-51173.2-76.2164.9000109.9F125 R145 I148 D175 I176 K177 E181 H182 L183F125-I179 HydrophobicContact CD1-CD1 3.77Å; F125-I179 HydrophobicContact CD1-CG1 4.17Å; F125-I179 HydrophobicContact CD1-CG2 4.06Å; F125-I179 HydrophobicContact CE1-CB 4.38Å; F125-I179 HydrophobicContact CE1-CD1 4.16Å; F125-I179 HydrophobicContact CE1-CG1 4.21Å; F125-I179 HydrophobicContact CE1-CG2 3.31Å; F125-I179 HydrophobicContact CZ-CG2 3.93Å; R145-I179 HydrophobicContact CB-CD1 4.45Å; R145-I179 HydrophobicContact CG-CD1 3.68Å; I148-I179 HydrophobicContact CD1-CG2 4.41Å; I148-I179 HydrophobicContact CG2-CG2 4.07Å; D175-I179 WeakPolarHBondContact O-CG1 3.49Å; D175-I179 PolarHBondContact O-N 3.5Å; I176-I179 WeakPolarHBondContact O-CB 3.28Å; I176-I179 PolarHBondContact O-N 3.12Å; K177-I179 VanDerWaalsContact C-N 3.31Å; K177-I179 PolarHBondContact O-N 2.82Å; I179-E181 VanDerWaalsContact C-N 3.31Å; I179-E181 PolarHBondContact O-N 2.72Å; I179-H182 WeakPolarHBondContact O-CB 3.31Å; I179-H182 PolarHBondContact O-N 2.66Å; I179-H182 VanDerWaalsContact O-N 3.1Å; I179-L183 HydrophobicContact CG2-CD1 4.31Å; I179-L183 VanDerWaalsContact O-CG 3.32Å; I179-L183 WeakPolarHBondContact O-CG 2.94Å; I179-L183 PolarHBondContact O-N 3.08Å
180I96.7Very high95Very high0 Ų049.4 Ų49.40%026%0.261CS..Hα-helixtrans-60.3-42.6-178.7-67.4162.1000111.4I31 L161 P164 F165 I176 K177 H182 L183 R184 V190 I192 V203I31-I180 HydrophobicContact CD1-CG2 3.74Å; I31-I180 HydrophobicContact CG1-CG2 4.12Å; I31-I180 HydrophobicContact CG2-CG2 4.23Å; L161-I180 HydrophobicContact CD1-CD1 3.99Å; L161-I180 HydrophobicContact CD1-CG1 3.66Å; L161-I180 HydrophobicContact CD1-CG2 4.48Å; P164-I180 HydrophobicContact CG-CD1 4.31Å; F165-I180 HydrophobicContact CE1-CD1 3.99Å; F165-I180 HydrophobicContact CZ-CD1 3.76Å; I176-I180 HydrophobicContact CG2-CD1 3.79Å; I176-I180 HydrophobicContact CG2-CG1 4.38Å; I176-I180 WeakPolarHBondContact O-CD1 3.22Å; I176-I180 VanDerWaalsContact O-CG1 3.25Å; I176-I180 WeakPolarHBondContact O-CG1 3.36Å; I176-I180 PolarHBondContact O-N 3.15Å; K177-I180 PolarHBondContact O-N 3.34Å; K177-I180 VanDerWaalsContact O-N 3.15Å; I180-H182 VanDerWaalsContact C-N 3.35Å; I180-L183 PolarHBondContact O-N 3.17Å; I180-R184 PolarHBondContact O-N 2.82Å; I180-V190 HydrophobicContact CG2-CG1 4.17Å; I180-I192 HydrophobicContact CD1-CD1 3.79Å; I180-V203 HydrophobicContact CG2-CG2 4.33Å
181E97.4Very high95.3Very high63 Ų6344.2 Ų44.229%0.29423%0.227SC..Hα-helixtrans-60.2-43.6173.8-73169.2168.100111.7K177 R178 I179 L183 R184 D185 V203K177-E181 WeakPolarHBondContact O-CG 3.46Å; K177-E181 PolarHBondContact O-N 2.9Å; R178-E181 PolarHBondContact O-N 2.72Å; I179-E181 VanDerWaalsContact C-N 3.31Å; I179-E181 PolarHBondContact O-N 2.72Å; E181-L183 VanDerWaalsContact C-N 3.33Å; E181-L183 PolarHBondContact O-N 3.29Å; E181-R184 WeakPolarHBondContact O-CB 3.33Å; E181-R184 PolarHBondContact O-N 2.77Å; E181-R184 PolarHBondContact O-NH2 3.27Å; E181-D185 PolarHBondContact O-N 3.06Å; E181-V203 HydrophobicContact CG-CG1 4.23Å
182H95.3Very high95.7Very high90 Ų9038.2 Ų38.242%0.41720%0.197SC..Hα-helixtrans-62.6-37.5176.1-175.767.2000112.9E124 R178 I179 I180 R184 D185 S186E124-H182 IonicContact OE1-CD2 3.58Å; E124-H182 PolarHBondContact OE1-CD2 2.93Å; E124-H182 VanDerWaalsContact OE1-CD2 3.22Å; E124-H182 IonicContact OE1-NE2 3.6Å; E124-H182 PolarHBondContact OE1-NE2 2.95Å; R178-H182 WeakPolarHBondContact O-CB 3.37Å; R178-H182 PolarHBondContact O-N 2.77Å; I179-H182 WeakPolarHBondContact O-CB 3.31Å; I179-H182 PolarHBondContact O-N 2.66Å; I179-H182 VanDerWaalsContact O-N 3.1Å; I180-H182 VanDerWaalsContact C-N 3.35Å; H182-R184 VanDerWaalsContact C-N 3.35Å; H182-R184 PolarHBondContact O-N 3.5Å; H182-D185 PolarHBondContact O-N 3.4Å; H182-S186 PolarHBondContact O-N 3.44Å; H182-S186 PolarHBondContact O-OG 3.45Å
183L95.7Very high96Very high2 Ų237.7 Ų37.71%0.0119%0.193CC..Hα-helixtrans-63.3-41.1175.7-63.3178.3000112.2F125 I148 L152 I159 I179 I180 E181 S186 G187 L188 V190F125-L183 HydrophobicContact CZ-CD2 4.26Å; I148-L183 HydrophobicContact CG2-CD1 4.1Å; L152-L183 HydrophobicContact CD1-CD1 4.04Å; L152-L183 HydrophobicContact CD1-CD2 3.3Å; L152-L183 HydrophobicContact CD1-CG 4.28Å; L152-L183 HydrophobicContact CD2-CD1 4.31Å; L152-L183 HydrophobicContact CD2-CD2 3.73Å; L152-L183 HydrophobicContact CG-CD2 4.15Å; I159-L183 HydrophobicContact CG2-CD1 4.42Å; I179-L183 HydrophobicContact CG2-CD1 4.31Å; I179-L183 VanDerWaalsContact O-CG 3.32Å; I179-L183 WeakPolarHBondContact O-CG 2.94Å; I179-L183 PolarHBondContact O-N 3.08Å; I180-L183 PolarHBondContact O-N 3.17Å; E181-L183 VanDerWaalsContact C-N 3.33Å; E181-L183 PolarHBondContact O-N 3.29Å; L183-S186 WeakPolarHBondContact CA-OG 3.42Å; L183-S186 PolarHBondContact O-OG 2.75Å; L183-G187 PolarHBondContact O-N 3.44Å; L183-L188 HydrophobicContact CD2-CD2 4.45Å; L183-L188 VanDerWaalsContact O-CB 3.31Å; L183-L188 WeakPolarHBondContact O-CB 3.36Å; L183-L188 PolarHBondContact O-N 2.89Å; L183-V190 HydrophobicContact CB-CG2 4.24Å
184R97Very high96Very high40 Ų4037.2 Ų37.215%0.15119%0.19CC..Hα-helixtrans-62-47.2171.6176.2-158.157.9-129.1-15.1111.3G29 I31 I180 E181 H182 S186 G187 E205G29-R184 VanDerWaalsContact C-CG 3.44Å; G29-R184 VanDerWaalsContact O-CG 3.23Å; G29-R184 WeakPolarHBondContact O-CG 3.37Å; I31-R184 HydrophobicContact CD1-CB 3.81Å; I31-R184 HydrophobicContact CD1-CG 4.33Å; I31-R184 VanDerWaalsContact CD1-NH1 3.31Å; I31-R184 HydrophobicContact CG1-CB 3.73Å; I31-R184 HydrophobicContact CG1-CG 4.12Å; I180-R184 PolarHBondContact O-N 2.82Å; E181-R184 WeakPolarHBondContact O-CB 3.33Å; E181-R184 PolarHBondContact O-N 2.77Å; E181-R184 PolarHBondContact O-NH2 3.27Å; H182-R184 VanDerWaalsContact C-N 3.35Å; H182-R184 PolarHBondContact O-N 3.5Å; R184-S186 PolarHBondContact O-N 3.09Å; R184-G187 WeakPolarHBondContact O-CA 3.12Å; R184-G187 PolarHBondContact O-N 3.29Å; R184-E205 WeakPolarHBondContact CD-OE1 3.39Å; R184-E205 IonicContact CZ-OE1 3.53Å; R184-E205 IonicContact NE-OE1 2.84Å; R184-E205 IonicContact NH1-OE1 3.78Å; R184-E205 PolarHBondContact NH1-OE1 3.43Å
185D96.3Very high95.8Very high115 Ų11537.8 Ų37.862%0.61519%0.19SC*.Hα-helixtrans-66.8-27-175.2-63.1-11.7000112.4E181 H182 G187E181-D185 PolarHBondContact O-N 3.06Å; H182-D185 PolarHBondContact O-N 3.4Å; D185-G187 PolarHBondContact O-N 2.94Å
186S94.7Very high95.7Very high66 Ų6637.9 Ų37.946%0.46219%0.191SC..THydrogen-bonded Turntrans-78.8-0.2169.855.30000114H182 L183 R184H182-S186 PolarHBondContact O-N 3.44Å; H182-S186 PolarHBondContact O-OG 3.45Å; L183-S186 WeakPolarHBondContact CA-OG 3.42Å; L183-S186 PolarHBondContact O-OG 2.75Å; R184-S186 PolarHBondContact O-N 3.09Å
187G96.1Very high95.5Very high35 Ų3538.5 Ų38.536%0.36120%0.195SC..THydrogen-bonded Turntrans96.98172.300000115.4S28 G29 L183 R184 D185S28-G187 VanDerWaalsContact CB-O 3.27Å; S28-G187 WeakPolarHBondContact CB-O 3.3Å; G29-G187 PolarHBondContact N-O 3.2Å; L183-G187 PolarHBondContact O-N 3.44Å; R184-G187 WeakPolarHBondContact O-CA 3.12Å; R184-G187 PolarHBondContact O-N 3.29Å; D185-G187 PolarHBondContact O-N 2.94Å
188L97.3Very high95.3Very high24 Ų2442.5 Ų42.513%0.12621%0.209CC..  trans-75.1145.6175.1-75.770.2000110.5G29 L152 P156 I159 L183G29-L188 WeakPolarHBondContact CA-O 3.47Å; G29-L188 PolarHBondContact N-O 3.17Å; L152-L188 HydrophobicContact CD2-CD2 3.35Å; P156-L188 HydrophobicContact CG-CD2 4.18Å; I159-L188 HydrophobicContact CG2-CD2 4.41Å; L183-L188 HydrophobicContact CD2-CD2 4.45Å; L183-L188 VanDerWaalsContact O-CB 3.31Å; L183-L188 WeakPolarHBondContact O-CB 3.36Å; L183-L188 PolarHBondContact O-N 2.89Å
189G98.4Very high95.2Very high0 Ų037.4 Ų37.40%019%0.192CC..EExtended strand (participates in β ladder)trans-86.9121.4165.800000110.2N27 K157 F158 I159N27-G189 WeakPolarHBondContact O-CA 2.93Å; K157-G189 PolarHBondContact O-N 2.99Å; F158-G189 CarbonylContact C-O 3.53Å; F158-G189 WeakPolarHBondContact CA-O 3.36Å; I159-G189 PolarHBondContact N-O 3.32Å
190V98.6Very high95.3Very high0 Ų036.7 Ų36.70%019%0.188CC..EExtended strand (participates in β ladder)trans-106.8125.9-177.4-175.70000109.6E30 I31 V32 I159 L161 I180 L183 I192E30-V190 PolarHBondContact O-N 3.22Å; I31-V190 WeakPolarHBondContact CA-O 3.2Å; I31-V190 HydrophobicContact CB-CB 4.27Å; I31-V190 HydrophobicContact CG1-CB 3.9Å; I31-V190 HydrophobicContact CG1-CG2 4.08Å; I31-V190 HydrophobicContact CG2-CB 4.21Å; I31-V190 HydrophobicContact CG2-CG1 4.19Å; V32-V190 PolarHBondContact N-O 2.78Å; I159-V190 HydrophobicContact CG2-CB 4.28Å; I159-V190 HydrophobicContact CG2-CG1 4.16Å; I159-V190 HydrophobicContact CG2-CG2 3.83Å; I159-V190 WeakPolarHBondContact O-CA 3.26Å; L161-V190 HydrophobicContact CD1-CG1 3.77Å; L161-V190 HydrophobicContact CG-CG1 4.23Å; I180-V190 HydrophobicContact CG2-CG1 4.17Å; L183-V190 HydrophobicContact CB-CG2 4.24Å; V190-I192 HydrophobicContact CG1-CB 4.5Å
191L98.7Very high95.2Very high1 Ų136.9 Ų36.91%0.00519%0.189CC..EExtended strand (participates in β ladder)trans-108.9119.5166.5-175.761.5000108.4L24 V26 V32 L34 F46 I159 L160 L161L24-L191 HydrophobicContact CD1-CD1 4.47Å; L24-L191 HydrophobicContact CD1-CD2 4.04Å; L24-L191 HydrophobicContact CD2-CD1 4.45Å; L24-L191 HydrophobicContact CD2-CD2 4.28Å; V26-L191 HydrophobicContact CG2-CB 4.09Å; V26-L191 HydrophobicContact CG2-CD1 3.91Å; V26-L191 HydrophobicContact CG2-CG 4.4Å; V32-L191 HydrophobicContact CB-CD1 4.24Å; V32-L191 HydrophobicContact CG1-CD1 4.13Å; V32-L191 WeakPolarHBondContact O-CA 3.32Å; V32-L191 WeakPolarHBondContact O-CD1 3.42Å; L34-L191 HydrophobicContact CB-CD1 4.23Å; F46-L191 HydrophobicContact CD2-CD2 4.34Å; F46-L191 HydrophobicContact CE2-CD2 3.77Å; F46-L191 HydrophobicContact CE2-CG 3.81Å; F46-L191 HydrophobicContact CZ-CB 4.43Å; F46-L191 HydrophobicContact CZ-CD2 4.05Å; F46-L191 HydrophobicContact CZ-CG 3.7Å; I159-L191 PolarHBondContact O-N 2.86Å; L160-L191 CarbonylContact C-O 3.5Å; L160-L191 WeakPolarHBondContact CA-O 3.47Å; L160-L191 HydrophobicContact CD1-CB 4.21Å; L160-L191 HydrophobicContact CD2-CD2 4.23Å; L160-L191 HydrophobicContact CG-CB 4.03Å; L160-L191 HydrophobicContact CG-CD2 4.04Å; L160-L191 HydrophobicContact CG-CG 4.47Å; L161-L191 PolarHBondContact N-O 3.21Å
192I98.4Very high95.1Very high0 Ų036.4 Ų36.40%020%0.196CC..EExtended strand (participates in β ladder)trans-122.8140.2-174.8-175.2166.8000111.2I31 V32 G33 L34 L161 P164 F165 I180 V190 T200 C204I31-I192 HydrophobicContact CG2-CG2 3.78Å; V32-I192 PolarHBondContact O-N 3.28Å; G33-I192 CarbonylContact C-O 3.37Å; G33-I192 WeakPolarHBondContact CA-O 3.42Å; L34-I192 PolarHBondContact N-O 3.02Å; L161-I192 HydrophobicContact CB-CB 4.43Å; L161-I192 HydrophobicContact CB-CG1 4.24Å; P164-I192 HydrophobicContact CG-CD1 3.51Å; P164-I192 HydrophobicContact CG-CG1 3.89Å; F165-I192 HydrophobicContact CE2-CD1 3.96Å; F165-I192 HydrophobicContact CZ-CD1 4.2Å; I180-I192 HydrophobicContact CD1-CD1 3.79Å; V190-I192 HydrophobicContact CG1-CB 4.5Å; I192-T200 HydrophobicContact CB-CG2 4.45Å; I192-T200 HydrophobicContact CD1-CG2 4.11Å; I192-T200 HydrophobicContact CG1-CG2 3.96Å; I192-T200 HydrophobicContact CG2-CG2 3.75Å; I192-C204 VanDerWaalsContact CG2-SG 3.6Å
193T96.7Very high95.2Very high0 Ų032.3 Ų32.30%018%0.177CC..EExtended strand (participates in β ladder)trans-130.3141.3167.6171.60000108.1L34 K42 F46 L161 D162 E163 P164L34-T193 VanDerWaalsContact O-CB 3.25Å; L34-T193 WeakPolarHBondContact O-CB 3.33Å; L34-T193 PolarHBondContact O-OG1 3.09Å; K42-T193 WeakPolarHBondContact CD-OG1 3.33Å; K42-T193 VanDerWaalsContact CE-OG1 3.28Å; K42-T193 WeakPolarHBondContact CE-OG1 3.28Å; F46-T193 HydrophobicContact CD1-CG2 4.26Å; F46-T193 HydrophobicContact CD2-CG2 4.33Å; F46-T193 HydrophobicContact CE1-CG2 3.72Å; F46-T193 HydrophobicContact CE2-CG2 3.8Å; F46-T193 HydrophobicContact CZ-CG2 3.47Å; F46-T193 VanDerWaalsContact CZ-CG2 3.47Å; L161-T193 PolarHBondContact O-N 3Å; L161-T193 VanDerWaalsContact O-N 3.07Å; D162-T193 HydrophobicContact CB-CG2 4.3Å; D162-T193 WeakPolarHBondContact OD1-CG2 3.43Å; E163-T193 WeakPolarHBondContact CA-O 3.31Å; E163-T193 PolarHBondContact N-O 3.18Å; P164-T193 WeakPolarHBondContact CD-O 3.44Å
194D94.1Very high95.3Very high0 Ų032.7 Ų32.70%018%0.18CC..  trans-155162.9172.1-149.7-73000110.3E163 P164 F165 N196 T200E163-D194 VanDerWaalsContact CA-OD2 3.22Å; E163-D194 WeakPolarHBondContact CA-OD2 3.19Å; P164-D194 WeakPolarHBondContact CD-OD2 3.27Å; F165-D194 WeakPolarHBondContact CA-OD2 3.25Å; F165-D194 VanDerWaalsContact CB-OD2 3.32Å; F165-D194 WeakPolarHBondContact CB-OD2 3.45Å; F165-D194 HydrophobicContact CD2-CB 4.06Å; F165-D194 WeakPolarHBondContact CD2-OD2 3.13Å; F165-D194 PolarHBondContact N-OD2 3.15Å; D194-N196 WeakPolarHBondContact OD1-CB 3.4Å; D194-N196 PolarHBondContact OD1-N 3.05Å; D194-T200 WeakPolarHBondContact CB-OG1 3.12Å
195H88.8Confident95.4Very high101 Ų10134.2 Ų34.247%0.46819%0.188SC..SBendtrans-81.5-23.3167.962.1-89.2000111.3E163 V197E163-H195 IonicContact OE2-CE1 2.72Å; E163-H195 IonicContact OE2-ND1 2.92Å; E163-H195 PolarHBondContact OE2-ND1 3.04Å; H195-V197 VanDerWaalsContact C-N 3.31Å; H195-V197 PolarHBondContact O-N 3.13Å
196N89.4Confident95.4Very high52 Ų5230.4 Ų30.428%0.27817%0.165SC..  trans-78.880.9173.6-165.3-18.1000111.1D194 R198 E199 T200D194-N196 WeakPolarHBondContact OD1-CB 3.4Å; D194-N196 PolarHBondContact OD1-N 3.05Å; N196-R198 VanDerWaalsContact C-N 3.3Å; N196-R198 PolarHBondContact O-N 2.84Å; N196-E199 HydrophobicContact CB-CB 4.39Å; N196-E199 VanDerWaalsContact CG-CG 3.42Å; N196-E199 WeakPolarHBondContact ND2-CG 3.32Å; N196-E199 PolarHBondContact O-N 3.1Å; N196-E199 WeakPolarHBondContact OD1-CG 3.47Å; N196-E199 PolarHBondContact OD1-N 3.17Å; N196-T200 WeakPolarHBondContact O-CB 3.33Å; N196-T200 PolarHBondContact O-N 3.38Å; N196-T200 PolarHBondContact O-OG1 3.18Å
197V91Very high95.6Very high14 Ų1427.2 Ų27.29%0.08514%0.143CC..Hα-helixtrans-57.6-43.6-175.1-167.50000112L35 H195 T200 L201 Y234 L235 F239L35-V197 HydrophobicContact CD1-CG1 4.19Å; H195-V197 VanDerWaalsContact C-N 3.31Å; H195-V197 PolarHBondContact O-N 3.13Å; V197-T200 PolarHBondContact O-N 2.76Å; V197-L201 HydrophobicContact CG1-CD1 3.8Å; V197-L201 HydrophobicContact CG1-CG 4.15Å; V197-L201 WeakPolarHBondContact O-CB 3.45Å; V197-L201 WeakPolarHBondContact O-CG 3.34Å; V197-L201 PolarHBondContact O-N 2.84Å; V197-Y234 HydrophobicContact CG1-CE1 4.1Å; V197-Y234 HydrophobicContact CG2-CE1 3.97Å; V197-Y234 HydrophobicContact CG2-CE2 4.2Å; V197-Y234 WeakPolarHBondContact CG2-OH 3.32Å; V197-L235 HydrophobicContact CB-CD2 4.41Å; V197-L235 HydrophobicContact CG1-CD2 3.65Å; V197-L235 HydrophobicContact CG2-CD2 4.37Å; V197-F239 HydrophobicContact CB-CE2 4.32Å; V197-F239 HydrophobicContact CB-CZ 4.02Å; V197-F239 HydrophobicContact CG1-CZ 4.25Å
198R90.4Very high95.7Very high121 Ų12126.7 Ų26.746%0.45713%0.131SC..Hα-helixtrans-63-48.8-176.6-175.5175.7178.2175-4.8111.1N196 T200 A202 F239 L241N196-R198 VanDerWaalsContact C-N 3.3Å; N196-R198 PolarHBondContact O-N 2.84Å; R198-T200 VanDerWaalsContact C-N 3.32Å; R198-T200 PolarHBondContact O-N 3Å; R198-A202 WeakPolarHBondContact O-CB 3.45Å; R198-A202 PolarHBondContact O-N 2.98Å; R198-A202 VanDerWaalsContact O-N 3.11Å; R198-F239 HydrophobicContact CB-CZ 4.12Å; R198-L241 HydrophobicContact CG-CD2 4.24Å; R198-L241 PolarHBondContact NE-OXT 3.29Å; R198-L241 PolarHBondContact NH2-OXT 2.73Å
199E93.7Very high95.7Very high47 Ų4725.6 Ų25.622%0.2213%0.125CC..Hα-helixtrans-69.3-34-179.2-59.8-54.3150.400112.2F165 V173 K177 N196F165-E199 HydrophobicContact CD2-CB 4.18Å; F165-E199 HydrophobicContact CE2-CB 4.15Å; V173-E199 HydrophobicContact CG1-CB 4.19Å; V173-E199 HydrophobicContact CG1-CG 3.89Å; K177-E199 HydrophobicContact CD-CB 4.36Å; K177-E199 VanDerWaalsContact CD-OE2 3.31Å; K177-E199 WeakPolarHBondContact CD-OE2 3.1Å; K177-E199 WeakPolarHBondContact CE-OE2 3.48Å; K177-E199 IonicContact NZ-OE2 3.82Å; K177-E199 PolarHBondContact NZ-OE2 2.84Å; N196-E199 HydrophobicContact CB-CB 4.39Å; N196-E199 VanDerWaalsContact CG-CG 3.42Å; N196-E199 WeakPolarHBondContact ND2-CG 3.32Å; N196-E199 PolarHBondContact O-N 3.1Å; N196-E199 WeakPolarHBondContact OD1-CG 3.47Å; N196-E199 PolarHBondContact OD1-N 3.17Å
200T95.8Very high95.6Very high0 Ų025.6 Ų25.60%013%0.125CC..Hα-helixtrans-71.2-48.2178-50.40000112L35 I192 D194 N196 V197 R198 A202 V203 C204L35-T200 HydrophobicContact CD2-CG2 3.73Å; I192-T200 HydrophobicContact CB-CG2 4.45Å; I192-T200 HydrophobicContact CD1-CG2 4.11Å; I192-T200 HydrophobicContact CG1-CG2 3.96Å; I192-T200 HydrophobicContact CG2-CG2 3.75Å; D194-T200 WeakPolarHBondContact CB-OG1 3.12Å; N196-T200 WeakPolarHBondContact O-CB 3.33Å; N196-T200 PolarHBondContact O-N 3.38Å; N196-T200 PolarHBondContact O-OG1 3.18Å; V197-T200 PolarHBondContact O-N 2.76Å; R198-T200 VanDerWaalsContact C-N 3.32Å; R198-T200 PolarHBondContact O-N 3Å; T200-A202 PolarHBondContact O-N 3.42Å; T200-V203 WeakPolarHBondContact O-CG2 3.4Å; T200-V203 PolarHBondContact O-N 3.1Å; T200-C204 PolarHBondContact O-N 3.46Å; T200-C204 PolarHBondContact O-SG 2.93Å
201L95.9Very high95.4Very high4 Ų426.1 Ų26.12%0.02113%0.129CC..Hα-helixtrans-63.3-27.9177.1-76.2-178.9000112.5L35 V197 V203 C204 A207 P221 I224 L225L35-L201 HydrophobicContact CD1-CD2 3.56Å; L35-L201 HydrophobicContact CD1-CG 3.77Å; V197-L201 HydrophobicContact CG1-CD1 3.8Å; V197-L201 HydrophobicContact CG1-CG 4.15Å; V197-L201 WeakPolarHBondContact O-CB 3.45Å; V197-L201 WeakPolarHBondContact O-CG 3.34Å; V197-L201 PolarHBondContact O-N 2.84Å; L201-V203 PolarHBondContact O-N 2.91Å; L201-C204 PolarHBondContact O-N 2.82Å; L201-A207 HydrophobicContact CD2-CB 3.86Å; L201-P221 HydrophobicContact CB-CB 4.23Å; L201-P221 HydrophobicContact CD2-CB 4.26Å; L201-P221 HydrophobicContact CD2-CG 4.42Å; L201-P221 WeakPolarHBondContact O-CG 3.48Å; L201-I224 HydrophobicContact CD1-CG2 4.25Å; L201-L225 HydrophobicContact CD1-CD1 4.48Å; L201-L225 HydrophobicContact CD1-CD2 3.94Å; L201-L225 HydrophobicContact CD1-CG 4.07Å
202A95.5Very high95.1Very high53 Ų5333.9 Ų33.944%0.43817%0.165SC..THydrogen-bonded Turntrans-65.7-22.2177.900000113.8R198 T200R198-A202 WeakPolarHBondContact O-CB 3.45Å; R198-A202 PolarHBondContact O-N 2.98Å; R198-A202 VanDerWaalsContact O-N 3.11Å; T200-A202 PolarHBondContact O-N 3.42Å
203V97Very high94.9Very high3 Ų333.9 Ų33.92%0.01817%0.165CC..THydrogen-bonded Turntrans-104.9-13.7178-61.30000113.6I31 K177 I180 E181 T200 L201I31-V203 HydrophobicContact CD1-CB 4.34Å; I31-V203 WeakPolarHBondContact CD1-O 3.25Å; I31-V203 HydrophobicContact CG2-CG2 4.28Å; K177-V203 HydrophobicContact CB-CG1 3.74Å; K177-V203 HydrophobicContact CD-CG1 4.31Å; K177-V203 HydrophobicContact CG-CG1 3.75Å; I180-V203 HydrophobicContact CG2-CG2 4.33Å; E181-V203 HydrophobicContact CG-CG1 4.23Å; T200-V203 WeakPolarHBondContact O-CG2 3.4Å; T200-V203 PolarHBondContact O-N 3.1Å; L201-V203 PolarHBondContact O-N 2.91Å
204C98Very high94.9Very high10 Ų1037.4 Ų37.47%0.06818%0.181CC..  trans-86.1139.5-175.6-64.10000112.1I31 G33 I192 T200 L201 R206 P221I31-C204 HydrophobicContact CG2-CB 4.48Å; I31-C204 WeakPolarHBondContact O-CA 3.32Å; G33-C204 PolarHBondContact N-SG 3.23Å; I192-C204 VanDerWaalsContact CG2-SG 3.6Å; T200-C204 PolarHBondContact O-N 3.46Å; T200-C204 PolarHBondContact O-SG 2.93Å; L201-C204 PolarHBondContact O-N 2.82Å; C204-R206 VanDerWaalsContact C-N 3.34Å; C204-P221 WeakPolarHBondContact O-CG 3.46Å
205E97.8Very high95Very high72 Ų7239.8 Ų39.834%0.33619%0.194SC..SBendtrans-74.3-31165.9-68.271.1-15400111.1I31 R184 P221I31-E205 VanDerWaalsContact CA-OE2 3.31Å; I31-E205 WeakPolarHBondContact CA-OE2 3.25Å; I31-E205 WeakPolarHBondContact CB-OE2 3.17Å; I31-E205 PolarHBondContact N-OE2 3.32Å; I31-E205 PolarHBondContact O-N 2.99Å; I31-E205 VanDerWaalsContact O-N 3.08Å; I31-E205 VanDerWaalsContact O-OE2 3.05Å; R184-E205 WeakPolarHBondContact CD-OE1 3.39Å; R184-E205 IonicContact CZ-OE1 3.53Å; R184-E205 IonicContact NE-OE1 2.84Å; R184-E205 IonicContact NH1-OE1 3.78Å; R184-E205 PolarHBondContact NH1-OE1 3.43Å; E205-P221 WeakPolarHBondContact O-CD 3.35Å
206R97.9Very high95.3Very high35 Ų3537.1 Ų37.113%0.13218%0.182CC..EExtended strand (participates in β ladder)trans-156.6160.9177.562.3-170.217986.3-4.2111.9T25 E30 V32 G33 C204 Y208 G219T25-R206 PolarHBondContact O-NH1 2.97Å; T25-R206 PolarHBondContact O-NH2 2.85Å; E30-R206 IonicContact OE1-CZ 2.77Å; E30-R206 IonicContact OE1-NE 3.9Å; E30-R206 IonicContact OE1-NH2 3.04Å; E30-R206 PolarHBondContact OE1-NH2 2.84Å; E30-R206 IonicContact OE2-CZ 2.56Å; E30-R206 IonicContact OE2-NE 3.8Å; E30-R206 PolarHBondContact OE2-NE 3.19Å; E30-R206 IonicContact OE2-NH2 2.85Å; E30-R206 PolarHBondContact OE2-NH2 3.27Å; V32-R206 WeakPolarHBondContact CA-O 3.24Å; V32-R206 HydrophobicContact CG2-CG 4.17Å; G33-R206 PolarHBondContact N-O 3.31Å; C204-R206 VanDerWaalsContact C-N 3.34Å; R206-Y208 VanDerWaalsContact NH1-CZ 3.29Å; R206-Y208 PolarHBondContact NH1-OH 2.87Å; R206-G219 CarbonylContact C-O 3.5Å; R206-G219 VanDerWaalsContact CA-O 3.25Å; R206-G219 WeakPolarHBondContact CA-O 3.34Å; R206-G219 WeakPolarHBondContact CB-O 3.12Å
207A98.1Very high95.6Very high0 Ų035.3 Ų35.30%018%0.175CC..EExtended strand (participates in β ladder)trans-138.6151.9176.500000112.3G33 L35 L201 H218 G219 I224G33-A207 CarbonylContact O-C 3.56Å; G33-A207 VanDerWaalsContact O-CA 3.26Å; G33-A207 WeakPolarHBondContact O-CA 3.16Å; L35-A207 HydrophobicContact CD1-CB 4.15Å; L35-A207 HydrophobicContact CG-CB 4.48Å; L201-A207 HydrophobicContact CD2-CB 3.86Å; A207-H218 WeakPolarHBondContact O-CA 3.17Å; A207-H218 PolarHBondContact O-CD2 3.32Å; A207-G219 PolarHBondContact N-O 3.49Å; A207-G219 PolarHBondContact O-N 2.94Å; A207-G219 VanDerWaalsContact O-N 3.1Å; A207-I224 HydrophobicContact CB-CG1 4.4Å
208Y98.1Very high95.9Very high24 Ų2439.8 Ų39.89%0.09420%0.195CC..EExtended strand (participates in β ladder)trans-102.3133.7165.5-65-81.4000108.7L24 T25 V32 G33 L35 R206 L215 H218L24-Y208 HydrophobicContact CB-CD2 3.76Å; L24-Y208 HydrophobicContact CB-CE1 4.5Å; L24-Y208 HydrophobicContact CB-CE2 3.57Å; L24-Y208 HydrophobicContact CB-CG 4.29Å; T25-Y208 PolarHBondContact N-OH 3.25Å; V32-Y208 HydrophobicContact CG1-CD2 3.63Å; V32-Y208 HydrophobicContact CG1-CE2 3.61Å; G33-Y208 PolarHBondContact O-N 3.49Å; L35-Y208 PolarHBondContact N-O 3.11Å; R206-Y208 VanDerWaalsContact NH1-CZ 3.29Å; R206-Y208 PolarHBondContact NH1-OH 2.87Å; Y208-L215 HydrophobicContact CD1-CD1 3.84Å; Y208-L215 HydrophobicContact CE1-CD1 4.4Å; Y208-L215 HydrophobicContact CG-CD1 4.49Å; Y208-H218 HydrophobicContact CD1-CB 3.77Å; Y208-H218 AromaticContact CD1-CD2 3.56Å; Y208-H218 AromaticContact CD1-CG 3.78Å; Y208-H218 HydrophobicContact CE1-CB 3.98Å; Y208-H218 AromaticContact CE1-CD2 3.33Å; Y208-H218 WeakPolarHBondContact CE1-CD2 3.35Å; Y208-H218 AromaticContact CE1-CG 3.55Å; Y208-H218 AromaticContact CE1-NE2 3.94Å; Y208-H218 AromaticContact CZ-CD2 3.7Å; Y208-H218 AromaticContact CZ-NE2 3.94Å
209I97.2Very high96.2Very high0 Ų034.4 Ų34.40%018%0.177CC..EExtended strand (participates in β ladder)trans-102.1118.8173.2-49.9-55.8000108.5L35 L215 I216 A217 I224 V230 Y234L35-I209 HydrophobicContact CB-CD1 3.81Å; L35-I209 HydrophobicContact CD1-CD1 4.49Å; L35-I209 CarbonylContact O-C 3.57Å; L35-I209 VanDerWaalsContact O-CA 3.32Å; L35-I209 WeakPolarHBondContact O-CA 3.4Å; I209-L215 CarbonylContact O-C 3.52Å; I209-L215 WeakPolarHBondContact O-CA 3.46Å; I209-I216 HydrophobicContact CB-CG1 3.94Å; I209-I216 HydrophobicContact CG2-CD1 3.79Å; I209-I216 HydrophobicContact CG2-CG1 3.67Å; I209-I216 WeakPolarHBondContact O-CG1 3.33Å; I209-I216 PolarHBondContact O-N 3.34Å; I209-A217 HydrophobicContact CB-CB 4.09Å; I209-A217 HydrophobicContact CG1-CB 4.01Å; I209-A217 PolarHBondContact N-O 3.38Å; I209-I224 HydrophobicContact CD1-CD1 4.26Å; I209-I224 HydrophobicContact CD1-CG1 4.47Å; I209-I224 HydrophobicContact CD1-CG2 3.71Å; I209-I224 HydrophobicContact CG1-CD1 3.73Å; I209-I224 HydrophobicContact CG1-CG1 4.45Å; I209-I224 HydrophobicContact CG1-CG2 4.07Å; I209-V230 HydrophobicContact CB-CG2 4.29Å; I209-V230 HydrophobicContact CD1-CG1 4.49Å; I209-V230 HydrophobicContact CG1-CG1 4.09Å; I209-V230 HydrophobicContact CG1-CG2 3.93Å; I209-V230 HydrophobicContact CG2-CG1 4.32Å; I209-V230 HydrophobicContact CG2-CG2 4.34Å; I209-Y234 HydrophobicContact CG2-CD1 4.29Å
210V96.3Very high96.4Very high0 Ų035 Ų350%018%0.183CC..EExtended strand (participates in β ladder)trans-103.9135.3175.964.50000110.2V22 L34 L35 G36 P37 A40 K42 H214 L215V22-V210 HydrophobicContact CG2-CG2 3.94Å; L34-V210 HydrophobicContact CD1-CB 4.15Å; L34-V210 HydrophobicContact CD1-CG1 4.01Å; L34-V210 HydrophobicContact CG-CG1 4.28Å; L35-V210 WeakPolarHBondContact O-CG1 3.31Å; L35-V210 PolarHBondContact O-N 3.39Å; G36-V210 WeakPolarHBondContact CA-O 3.45Å; P37-V210 WeakPolarHBondContact CD-O 3.36Å; A40-V210 HydrophobicContact CB-CG1 3.93Å; A40-V210 VanDerWaalsContact CB-O 3.27Å; A40-V210 WeakPolarHBondContact CB-O 3.46Å; A40-V210 WeakPolarHBondContact O-CG2 3.38Å; K42-V210 HydrophobicContact CD-CG1 4.34Å; K42-V210 HydrophobicContact CG-CG1 3.49Å; K42-V210 VanDerWaalsContact CG-CG1 3.49Å; V210-H214 CarbonylContact C-O 3.5Å; V210-H214 VanDerWaalsContact CA-O 3.29Å; V210-H214 WeakPolarHBondContact CA-O 3.27Å; V210-H214 WeakPolarHBondContact CG2-O 3.29Å; V210-L215 HydrophobicContact CB-CD2 4.01Å; V210-L215 HydrophobicContact CG2-CD2 4.44Å
211S94.9Very high96.4Very high12 Ų1236 Ų368%0.08419%0.19CC..EExtended strand (participates in β ladder)trans-144.7136.4171.5-171.20000109.2G213 H214 V233S211-G213 PolarHBondContact O-N 3.49Å; S211-G213 VanDerWaalsContact O-N 3.13Å; S211-H214 PolarHBondContact N-O 3.33Å; S211-H214 PolarHBondContact O-N 2.85Å; S211-H214 VanDerWaalsContact O-O 3.09Å; S211-V233 WeakPolarHBondContact OG-CG1 3.45Å
212Q92.5Very high96.4Very high163 Ų16339.7 Ų39.776%0.76221%0.213SC*.THydrogen-bonded Turntrans48.742179.9-54.2-178.615.100113.3H214Q212-H214 VanDerWaalsContact C-N 3.28Å; Q212-H214 PolarHBondContact O-N 2.79Å; Q212-H214 PolarHBondContact O-ND1 2.99Å
213G93.8Very high96.4Very high0 Ų042.3 Ų42.30%022%0.216CC..THydrogen-bonded Turntrans74.29.5178.100000116.1V18 E20 D21 A40 S211V18-G213 VanDerWaalsContact O-CA 3.25Å; V18-G213 WeakPolarHBondContact O-CA 3.37Å; E20-G213 PolarHBondContact N-O 2.72Å; D21-G213 PolarHBondContact N-O 2.81Å; A40-G213 PolarHBondContact O-N 3.02Å; A40-G213 VanDerWaalsContact O-N 3.1Å; S211-G213 PolarHBondContact O-N 3.49Å; S211-G213 VanDerWaalsContact O-N 3.13Å
214H96.4Very high96.3Very high75 Ų7542.3 Ų42.335%0.34722%0.216SC..EExtended strand (participates in β ladder)trans-126.6149.4178.6-62.584.2000111.2E20 V210 S211 Q212E20-H214 VanDerWaalsContact CB-CE1 3.45Å; E20-H214 WeakPolarHBondContact CB-CE1 3.28Å; E20-H214 IonicContact OE1-CE1 3.93Å; E20-H214 IonicContact OE2-CE1 3.18Å; V210-H214 CarbonylContact C-O 3.5Å; V210-H214 VanDerWaalsContact CA-O 3.29Å; V210-H214 WeakPolarHBondContact CA-O 3.27Å; V210-H214 WeakPolarHBondContact CG2-O 3.29Å; S211-H214 PolarHBondContact N-O 3.33Å; S211-H214 PolarHBondContact O-N 2.85Å; S211-H214 VanDerWaalsContact O-O 3.09Å; Q212-H214 VanDerWaalsContact C-N 3.28Å; Q212-H214 PolarHBondContact O-N 2.79Å; Q212-H214 PolarHBondContact O-ND1 2.99Å
215L96.4Very high96Very high50 Ų5043 Ų4326%0.26222%0.219SC..EExtended strand (participates in β ladder)trans-76.3124.8167.9-63.1-177.6000110V22 S23 L34 Y208 I209 V210V22-L215 HydrophobicContact CG1-CD1 4.44Å; V22-L215 HydrophobicContact CG1-CD2 4.05Å; V22-L215 HydrophobicContact CG1-CG 4.24Å; V22-L215 HydrophobicContact CG2-CD2 4.43Å; V22-L215 HydrophobicContact CG2-CG 4.44Å; S23-L215 WeakPolarHBondContact O-CD1 3.32Å; L34-L215 HydrophobicContact CD1-CD2 4.22Å; Y208-L215 HydrophobicContact CD1-CD1 3.84Å; Y208-L215 HydrophobicContact CE1-CD1 4.4Å; Y208-L215 HydrophobicContact CG-CD1 4.49Å; I209-L215 CarbonylContact O-C 3.52Å; I209-L215 WeakPolarHBondContact O-CA 3.46Å; V210-L215 HydrophobicContact CB-CD2 4.01Å; V210-L215 HydrophobicContact CG2-CD2 4.44Å
216I95.6Very high95.7Very high45 Ų4545.6 Ų45.623%0.23123%0.231CC..EExtended strand (participates in β ladder)trans-107-19.6-179.163.2166.2000113.1I209 V233I209-I216 HydrophobicContact CB-CG1 3.94Å; I209-I216 HydrophobicContact CG2-CD1 3.79Å; I209-I216 HydrophobicContact CG2-CG1 3.67Å; I209-I216 WeakPolarHBondContact O-CG1 3.33Å; I209-I216 PolarHBondContact O-N 3.34Å; I216-V233 HydrophobicContact CD1-CB 4.19Å; I216-V233 HydrophobicContact CD1-CG1 3.89Å
217A96Very high95.5Very high14 Ų1446.5 Ų46.512%0.11624%0.238CC..EExtended strand (participates in β ladder)trans-156.4157.1175.300000111.3I209 I224 V230I209-A217 HydrophobicContact CB-CB 4.09Å; I209-A217 HydrophobicContact CG1-CB 4.01Å; I209-A217 PolarHBondContact N-O 3.38Å; A217-I224 HydrophobicContact CB-CD1 4.02Å; A217-V230 HydrophobicContact CB-CG2 3.36Å
218H97.1Very high95.2Very high108 Ų10852.6 Ų52.650%0.527%0.267SS..EExtended strand (participates in β ladder)trans-149.8134.9173.2166.6-117.4000108.6A207 Y208A207-H218 WeakPolarHBondContact O-CA 3.17Å; A207-H218 PolarHBondContact O-CD2 3.32Å; Y208-H218 HydrophobicContact CD1-CB 3.77Å; Y208-H218 AromaticContact CD1-CD2 3.56Å; Y208-H218 AromaticContact CD1-CG 3.78Å; Y208-H218 HydrophobicContact CE1-CB 3.98Å; Y208-H218 AromaticContact CE1-CD2 3.33Å; Y208-H218 WeakPolarHBondContact CE1-CD2 3.35Å; Y208-H218 AromaticContact CE1-CG 3.55Å; Y208-H218 AromaticContact CE1-NE2 3.94Å; Y208-H218 AromaticContact CZ-CD2 3.7Å; Y208-H218 AromaticContact CZ-NE2 3.94Å
219G97.2Very high94.9Very high8 Ų855.1 Ų55.18%0.08228%0.279CS..EExtended strand (participates in β ladder)trans170.8-176.6178.600000113R206 A207 E223R206-G219 CarbonylContact C-O 3.5Å; R206-G219 VanDerWaalsContact CA-O 3.25Å; R206-G219 WeakPolarHBondContact CA-O 3.34Å; R206-G219 WeakPolarHBondContact CB-O 3.12Å; A207-G219 PolarHBondContact N-O 3.49Å; A207-G219 PolarHBondContact O-N 2.94Å; A207-G219 VanDerWaalsContact O-N 3.1Å; G219-E223 WeakPolarHBondContact CA-OE2 3.28Å
220T97.5Very high94.6Very high58 Ų5855.1 Ų55.136%0.35628%0.279SS..  trans-62.1159.1168.861.30000111T222 E223 I224T220-T222 PolarHBondContact O-N 3.46Å; T220-E223 WeakPolarHBondContact CB-OE2 3.45Å; T220-E223 WeakPolarHBondContact CG2-OE2 3.38Å; T220-E223 PolarHBondContact N-OE2 3.34Å; T220-E223 PolarHBondContact O-N 2.73Å; T220-E223 VanDerWaalsContact O-N 3.09Å; T220-E223 VanDerWaalsContact OG1-CD 3.29Å; T220-E223 VanDerWaalsContact OG1-CG 3.28Å; T220-E223 WeakPolarHBondContact OG1-CG 3.43Å; T220-E223 PolarHBondContact OG1-N 2.84Å; T220-E223 PolarHBondContact OG1-OE2 2.96Å; T220-I224 WeakPolarHBondContact O-CG1 3.47Å; T220-I224 PolarHBondContact O-N 3.1Å
221P95.6Very high94.4Very high23 Ų2357.1 Ų57.115%0.14929%0.288CS..Hα-helixtrans-49.7-41.4174.1-30.836.4000113.8L201 C204 E205 I224 L225L201-P221 HydrophobicContact CB-CB 4.23Å; L201-P221 HydrophobicContact CD2-CB 4.26Å; L201-P221 HydrophobicContact CD2-CG 4.42Å; L201-P221 WeakPolarHBondContact O-CG 3.48Å; C204-P221 WeakPolarHBondContact O-CG 3.46Å; E205-P221 WeakPolarHBondContact O-CD 3.35Å; P221-I224 PolarHBondContact O-N 3.36Å; P221-L225 WeakPolarHBondContact O-CB 3.12Å; P221-L225 WeakPolarHBondContact O-CD1 3.36Å; P221-L225 WeakPolarHBondContact O-CG 3.26Å; P221-L225 PolarHBondContact O-N 3.32Å
222T94.9Very high94.1Very high81 Ų8165.2 Ų65.250%0.49732%0.317SS..Hα-helixtrans-64.9-44.3178.6-55.40000112.3T220 L225 Q226T220-T222 PolarHBondContact O-N 3.46Å; T222-L225 PolarHBondContact O-N 2.99Å; T222-Q226 WeakPolarHBondContact O-CB 3.41Å; T222-Q226 VanDerWaalsContact O-CG 3.27Å; T222-Q226 WeakPolarHBondContact O-CG 3.27Å; T222-Q226 PolarHBondContact O-N 3.17Å; T222-Q226 VanDerWaalsContact O-N 3.11Å
223E96.1Very high93.8Very high108 Ų10860 Ų6051%0.50530%0.296SS..Hα-helixtrans-62.8-45177.1-71.4163.8146.100111.2G219 T220 L225 Q226 D227G219-E223 WeakPolarHBondContact CA-OE2 3.28Å; T220-E223 WeakPolarHBondContact CB-OE2 3.45Å; T220-E223 WeakPolarHBondContact CG2-OE2 3.38Å; T220-E223 PolarHBondContact N-OE2 3.34Å; T220-E223 PolarHBondContact O-N 2.73Å; T220-E223 VanDerWaalsContact O-N 3.09Å; T220-E223 VanDerWaalsContact OG1-CD 3.29Å; T220-E223 VanDerWaalsContact OG1-CG 3.28Å; T220-E223 WeakPolarHBondContact OG1-CG 3.43Å; T220-E223 PolarHBondContact OG1-N 2.84Å; T220-E223 PolarHBondContact OG1-OE2 2.96Å; E223-L225 VanDerWaalsContact C-N 3.3Å; E223-L225 PolarHBondContact O-N 3.04Å; E223-Q226 PolarHBondContact O-N 3.09Å; E223-Q226 VanDerWaalsContact O-N 3.1Å; E223-D227 PolarHBondContact O-N 3.01Å
224I94.6Very high93.5Very high3 Ų362 Ų622%0.01530%0.303CS..Hα-helixtrans-59-41.2177.3-68.4-49.5000112L201 A207 I209 A217 T220 P221 Q226 V230L201-I224 HydrophobicContact CD1-CG2 4.25Å; A207-I224 HydrophobicContact CB-CG1 4.4Å; I209-I224 HydrophobicContact CD1-CD1 4.26Å; I209-I224 HydrophobicContact CD1-CG1 4.47Å; I209-I224 HydrophobicContact CD1-CG2 3.71Å; I209-I224 HydrophobicContact CG1-CD1 3.73Å; I209-I224 HydrophobicContact CG1-CG1 4.45Å; I209-I224 HydrophobicContact CG1-CG2 4.07Å; A217-I224 HydrophobicContact CB-CD1 4.02Å; T220-I224 WeakPolarHBondContact O-CG1 3.47Å; T220-I224 PolarHBondContact O-N 3.1Å; P221-I224 PolarHBondContact O-N 3.36Å; I224-Q226 VanDerWaalsContact C-N 3.28Å; I224-Q226 PolarHBondContact O-N 3.11Å; I224-V230 HydrophobicContact CG2-CG1 4.12Å
225L91Very high93Very high23 Ų2359.4 Ų59.412%0.1229%0.292CS..Hα-helixtrans-74.3-19.4179.4-68.4167.8000113.3L201 P221 T222 E223 K231 L235 F239 L241L201-L225 HydrophobicContact CD1-CD1 4.48Å; L201-L225 HydrophobicContact CD1-CD2 3.94Å; L201-L225 HydrophobicContact CD1-CG 4.07Å; P221-L225 WeakPolarHBondContact O-CB 3.12Å; P221-L225 WeakPolarHBondContact O-CD1 3.36Å; P221-L225 WeakPolarHBondContact O-CG 3.26Å; P221-L225 PolarHBondContact O-N 3.32Å; T222-L225 PolarHBondContact O-N 2.99Å; E223-L225 VanDerWaalsContact C-N 3.3Å; E223-L225 PolarHBondContact O-N 3.04Å; L225-K231 WeakPolarHBondContact O-CE 3.14Å; L225-L235 HydrophobicContact CD2-CD1 3.98Å; L225-F239 HydrophobicContact CD2-CD1 3.53Å; L225-F239 HydrophobicContact CD2-CE1 3.37Å; L225-L241 HydrophobicContact CD1-CD1 3.23Å; L225-L241 HydrophobicContact CD1-CD2 4.31Å; L225-L241 HydrophobicContact CD1-CG 3.47Å; L225-L241 VanDerWaalsContact CD1-CG 3.47Å
226Q92.7Very high92.2Very high128 Ų12858.8 Ų58.860%0.59830%0.298SS*.Hα-helixtrans-95.6-14.6177.9-71175.2-4.900112.6T222 E223 I224 E228T222-Q226 WeakPolarHBondContact O-CB 3.41Å; T222-Q226 VanDerWaalsContact O-CG 3.27Å; T222-Q226 WeakPolarHBondContact O-CG 3.27Å; T222-Q226 PolarHBondContact O-N 3.17Å; T222-Q226 VanDerWaalsContact O-N 3.11Å; E223-Q226 PolarHBondContact O-N 3.09Å; E223-Q226 VanDerWaalsContact O-N 3.1Å; I224-Q226 VanDerWaalsContact C-N 3.28Å; I224-Q226 PolarHBondContact O-N 3.11Å; Q226-E228 PolarHBondContact O-N 3.17Å
227D93Very high91Very high53 Ų5364.7 Ų64.728%0.28332%0.324SS..  trans-69.3111.2179-174-42000111.4E223 H229 V230 K231E223-D227 PolarHBondContact O-N 3.01Å; D227-H229 VanDerWaalsContact C-N 3.27Å; D227-H229 PolarHBondContact O-N 3.36Å; D227-H229 WeakPolarHBondContact OD1-CA 3.21Å; D227-H229 WeakPolarHBondContact OD1-CB 3.33Å; D227-H229 PolarHBondContact OD1-N 2.8Å; D227-V230 HydrophobicContact CB-CB 3.92Å; D227-V230 HydrophobicContact CB-CG2 3.78Å; D227-V230 PolarHBondContact O-N 3.21Å; D227-V230 PolarHBondContact OD1-N 2.91Å; D227-K231 WeakPolarHBondContact O-CG 3.46Å; D227-K231 PolarHBondContact O-N 2.97Å
228E91.9Very high89.6Confident128 Ų12871.5 Ų71.560%0.59836%0.359SS*.Hα-helixtrans-62.4-31.3-179.7-64.6-57.1127.600113.2Q226 K231 R232Q226-E228 PolarHBondContact O-N 3.17Å; E228-K231 IonicContact OE1-NZ 2.73Å; E228-K231 PolarHBondContact OE1-NZ 3.33Å; E228-R232 WeakPolarHBondContact O-CB 3.45Å; E228-R232 PolarHBondContact O-N 3.38Å; E228-R232 VanDerWaalsContact O-N 3.1Å
229H92.1Very high88.3Confident77 Ų7769.1 Ų69.136%0.35635%0.347SS..Hα-helixtrans-69.2-45.1175-172.8-174.8000110.2D227 R232 V233D227-H229 VanDerWaalsContact C-N 3.27Å; D227-H229 PolarHBondContact O-N 3.36Å; D227-H229 WeakPolarHBondContact OD1-CA 3.21Å; D227-H229 WeakPolarHBondContact OD1-CB 3.33Å; D227-H229 PolarHBondContact OD1-N 2.8Å; H229-R232 PolarHBondContact O-N 2.87Å; H229-V233 VanDerWaalsContact CD2-CG2 3.44Å; H229-V233 WeakPolarHBondContact CD2-CG2 3.46Å; H229-V233 WeakPolarHBondContact O-CB 2.78Å; H229-V233 WeakPolarHBondContact O-CG2 3.44Å; H229-V233 PolarHBondContact O-N 3.47Å
230V91.8Very high86.6Confident0 Ų079 Ų790%038%0.382CS..Hα-helixtrans-62.9-43.3176.8175.20000111.3I209 A217 I224 D227 R232 V233 Y234 L235I209-V230 HydrophobicContact CB-CG2 4.29Å; I209-V230 HydrophobicContact CD1-CG1 4.49Å; I209-V230 HydrophobicContact CG1-CG1 4.09Å; I209-V230 HydrophobicContact CG1-CG2 3.93Å; I209-V230 HydrophobicContact CG2-CG1 4.32Å; I209-V230 HydrophobicContact CG2-CG2 4.34Å; A217-V230 HydrophobicContact CB-CG2 3.36Å; I224-V230 HydrophobicContact CG2-CG1 4.12Å; D227-V230 HydrophobicContact CB-CB 3.92Å; D227-V230 HydrophobicContact CB-CG2 3.78Å; D227-V230 PolarHBondContact O-N 3.21Å; D227-V230 PolarHBondContact OD1-N 2.91Å; V230-R232 PolarHBondContact O-N 3.22Å; V230-V233 PolarHBondContact O-N 2.58Å; V230-Y234 HydrophobicContact CG1-CD1 4.42Å; V230-Y234 WeakPolarHBondContact O-CA 3.5Å; V230-Y234 WeakPolarHBondContact O-CB 3.45Å; V230-Y234 PolarHBondContact O-N 3.45Å; V230-L235 HydrophobicContact CG1-CD1 3.93Å; V230-L235 HydrophobicContact CG1-CG 3.98Å; V230-L235 PolarHBondContact O-N 3.34Å
231K91.3Very high84.7Confident43 Ų4381.9 Ų81.919%0.18740%0.395CS..Iπ-helixtrans-56.4-49.8174.7-71.8178.1-167.2164.90111.8L225 D227 E228 V233 L235 G236L225-K231 WeakPolarHBondContact O-CE 3.14Å; D227-K231 WeakPolarHBondContact O-CG 3.46Å; D227-K231 PolarHBondContact O-N 2.97Å; E228-K231 IonicContact OE1-NZ 2.73Å; E228-K231 PolarHBondContact OE1-NZ 3.33Å; K231-V233 PolarHBondContact O-N 2.99Å; K231-L235 HydrophobicContact CG-CD1 4.45Å; K231-L235 PolarHBondContact O-N 3.49Å; K231-G236 CarbonylContact O-C 3.52Å; K231-G236 VanDerWaalsContact O-CA 3.32Å; K231-G236 WeakPolarHBondContact O-CA 3.48Å; K231-G236 PolarHBondContact O-N 3.1Å
232R89.1Confident84.2Confident181 Ų18184.9 Ų84.968%0.68341%0.407SS*.Iπ-helixtrans-64.9-37.9-178.7-178.7177.456.7-165.9-6.3113.6E228 H229 V230E228-R232 WeakPolarHBondContact O-CB 3.45Å; E228-R232 PolarHBondContact O-N 3.38Å; E228-R232 VanDerWaalsContact O-N 3.1Å; H229-R232 PolarHBondContact O-N 2.87Å; V230-R232 PolarHBondContact O-N 3.22Å
233V86.4Confident83.6Confident53 Ų5385.1 Ų85.132%0.32140%0.402SS..Iπ-helixtrans-92.1-24.9-172.3172.40000113.1S211 I216 H229 V230 K231S211-V233 WeakPolarHBondContact OG-CG1 3.45Å; I216-V233 HydrophobicContact CD1-CB 4.19Å; I216-V233 HydrophobicContact CD1-CG1 3.89Å; H229-V233 VanDerWaalsContact CD2-CG2 3.44Å; H229-V233 WeakPolarHBondContact CD2-CG2 3.46Å; H229-V233 WeakPolarHBondContact O-CB 2.78Å; H229-V233 WeakPolarHBondContact O-CG2 3.44Å; H229-V233 PolarHBondContact O-N 3.47Å; V230-V233 PolarHBondContact O-N 2.58Å; K231-V233 PolarHBondContact O-N 2.99Å
234Y87.7Confident82.9Confident42 Ų4283.8 Ų83.817%0.16540%0.397CS..Iπ-helixtrans-133.9-52.7-170.7178.5-141.2000114.7L35 G36 P37 V197 I209 V230L35-Y234 HydrophobicContact CB-CE1 3.84Å; G36-Y234 VanDerWaalsContact C-CD2 3.49Å; G36-Y234 VanDerWaalsContact N-CZ 3.3Å; G36-Y234 PolarHBondContact N-OH 3.35Å; G36-Y234 VanDerWaalsContact O-CE2 3.26Å; G36-Y234 WeakPolarHBondContact O-CE2 3.36Å; P37-Y234 HydrophobicContact CB-CD2 4.41Å; V197-Y234 HydrophobicContact CG1-CE1 4.1Å; V197-Y234 HydrophobicContact CG2-CE1 3.97Å; V197-Y234 HydrophobicContact CG2-CE2 4.2Å; V197-Y234 WeakPolarHBondContact CG2-OH 3.32Å; I209-Y234 HydrophobicContact CG2-CD1 4.29Å; V230-Y234 HydrophobicContact CG1-CD1 4.42Å; V230-Y234 WeakPolarHBondContact O-CA 3.5Å; V230-Y234 WeakPolarHBondContact O-CB 3.45Å; V230-Y234 PolarHBondContact O-N 3.45Å
235L84.3Confident82.2Confident22 Ų2288.5 Ų88.512%0.11542%0.419CS..Iπ-helixtrans-83.6-27.4-168.6-52.9175.5000114V197 L225 V230 K231 F239V197-L235 HydrophobicContact CB-CD2 4.41Å; V197-L235 HydrophobicContact CG1-CD2 3.65Å; V197-L235 HydrophobicContact CG2-CD2 4.37Å; L225-L235 HydrophobicContact CD2-CD1 3.98Å; V230-L235 HydrophobicContact CG1-CD1 3.93Å; V230-L235 HydrophobicContact CG1-CG 3.98Å; V230-L235 PolarHBondContact O-N 3.34Å; K231-L235 HydrophobicContact CG-CD1 4.45Å; K231-L235 PolarHBondContact O-N 3.49Å; L235-F239 HydrophobicContact CB-CB 3.7Å; L235-F239 HydrophobicContact CB-CD1 4.32Å; L235-F239 HydrophobicContact CB-CD2 4.37Å; L235-F239 HydrophobicContact CB-CG 3.88Å; L235-F239 HydrophobicContact CD1-CD1 4.15Å; L235-F239 HydrophobicContact CD2-CD1 4.42Å; L235-F239 HydrophobicContact CD2-CG 4.47Å
236G80.1Confident81.7Confident36 Ų3692.6 Ų92.637%0.37144%0.438SS..  trans81.5156.5-162.500000112.3K231 D238 F239K231-G236 CarbonylContact O-C 3.52Å; K231-G236 VanDerWaalsContact O-CA 3.32Å; K231-G236 WeakPolarHBondContact O-CA 3.48Å; K231-G236 PolarHBondContact O-N 3.1Å; G236-D238 VanDerWaalsContact C-N 3.27Å; G236-D238 PolarHBondContact O-N 3.45Å; G236-F239 PolarHBondContact O-N 2.76Å
237E69.9Low81Confident170 Ų17090.3 Ų90.379%0.79443%0.427SS*.THydrogen-bonded Turntrans-66.8-25.2-176.3-65.5-175.4173.400113.4
238D66.8Low80.1Confident156 Ų15692.9 Ų92.983%0.83444%0.437SS*.THydrogen-bonded Turntrans-91.40.9-175.8-67-45.5000114.5G236 R240G236-D238 VanDerWaalsContact C-N 3.27Å; G236-D238 PolarHBondContact O-N 3.45Å; D238-R240 PolarHBondContact O-N 3.34Å
239F69.9Low79.2Confident59 Ų5990.2 Ų90.226%0.25943%0.425SS..  trans-69.6124.6-175.5-167.7-86.2000112V197 R198 L225 L235 G236V197-F239 HydrophobicContact CB-CE2 4.32Å; V197-F239 HydrophobicContact CB-CZ 4.02Å; V197-F239 HydrophobicContact CG1-CZ 4.25Å; R198-F239 HydrophobicContact CB-CZ 4.12Å; L225-F239 HydrophobicContact CD2-CD1 3.53Å; L225-F239 HydrophobicContact CD2-CE1 3.37Å; L235-F239 HydrophobicContact CB-CB 3.7Å; L235-F239 HydrophobicContact CB-CD1 4.32Å; L235-F239 HydrophobicContact CB-CD2 4.37Å; L235-F239 HydrophobicContact CB-CG 3.88Å; L235-F239 HydrophobicContact CD1-CD1 4.15Å; L235-F239 HydrophobicContact CD2-CD1 4.42Å; L235-F239 HydrophobicContact CD2-CG 4.47Å; G236-F239 PolarHBondContact O-N 2.76Å
240R61.6Low78.1Confident214 Ų21491.3 Ų91.381%0.80843%0.43SS*.  trans-136.4151.2174.1-62.8-173.1-176.5-173.51.5110.8D238D238-R240 PolarHBondContact O-N 3.34Å
241L58.5Low76.9Confident120 Ų12099.6 Ų99.663%0.62847%0.47SS*.  trans-66.20169.1-87.3166.2000112.3R198 L225R198-L241 HydrophobicContact CG-CD2 4.24Å; R198-L241 PolarHBondContact NE-OXT 3.29Å; R198-L241 PolarHBondContact NH2-OXT 2.73Å; L225-L241 HydrophobicContact CD1-CD1 3.23Å; L225-L241 HydrophobicContact CD1-CD2 4.31Å; L225-L241 HydrophobicContact CD1-CG 3.47Å; L225-L241 VanDerWaalsContact CD1-CG 3.47Å

Retrieved 241 of 241 residues in 151.5 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).