A0A087X2U0_POEFO Loading...

GDP-Man:Man(3)GlcNAc(2)-PP-Dol alpha-1,2-mannosyltransferase

GDP-Man:Man(3)GlcNAc(2)-PP-Dol alpha-1,2-mannosyltransferase that operates in the biosynthetic pathway of dolichol-linked oligosaccharides, the glycan precursors employed in protein asparagine (N)-glycosylation. The assembly of dolichol-linked oligosaccharides begins on the cytosolic side of the endoplasmic reticulum membrane and finishes in its lumen. The sequential addition of sugars to dolichol pyrophosphate produces dolichol-linked oligosaccharides containing fourteen sugars, including two GlcNAcs, nine mannoses and three glucoses. Once assembled, the oligosaccharide is transferred from the lipid to nascent proteins by oligosaccharyltransferases. Catalyzes, on the cytoplasmic face of the endoplasmic reticulum, the addition of the fourth and fifth mannose residues to the dolichol-linked oligosaccharide chain, to produce Man(5)GlcNAc(2)-PP-dolichol core oligosaccharide. Man(5)GlcNAc(2)-PP-dolichol is a substrate for ALG3, the following enzyme in the biosynthetic pathway.

AlphaFold DB , UniProt , Accession A0A087X2U0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 444 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M52.4Low78.2Confident135 Ų13531.4 Ų31.467%0.66516%0.162SC*.  0-45.80-89.8-167.5-85.200110.4N3 L4 F42M1-N3 VanDerWaalsContact C-N 3.26Å; M1-N3 PolarHBondContact O-N 2.99Å; M1-L4 WeakPolarHBondContact O-CB 3.42Å; M1-L4 PolarHBondContact O-N 3.33Å; M1-F42 HydrophobicContact CB-CE2 3.98Å; M1-F42 HydrophobicContact CB-CZ 4.02Å
2E63.4Low78.7Confident34 Ų3429.3 Ų29.316%0.15915%0.151CC..Hα-helixtrans-44.6-49.8170.2-169165.3-160.500113.6L4 W5 Q6 F42 I44 P203E2-L4 PolarHBondContact O-N 2.71Å; E2-W5 PolarHBondContact O-N 3.3Å; E2-Q6 PolarHBondContact O-N 3.45Å; E2-F42 HydrophobicContact CB-CD1 3.59Å; E2-F42 HydrophobicContact CB-CD2 4.3Å; E2-F42 HydrophobicContact CB-CE1 3.68Å; E2-F42 HydrophobicContact CB-CE2 4.38Å; E2-F42 HydrophobicContact CB-CG 3.94Å; E2-F42 HydrophobicContact CB-CZ 4.08Å; E2-F42 HydrophobicContact CG-CB 4.2Å; E2-F42 HydrophobicContact CG-CD1 3.73Å; E2-F42 HydrophobicContact CG-CE1 4.31Å; E2-F42 HydrophobicContact CG-CG 3.96Å; E2-I44 HydrophobicContact CG-CD1 4.48Å; E2-P203 HydrophobicContact CG-CG 4.26Å
3N70Confident79.2Confident25 Ų2534.6 Ų34.613%0.13419%0.192CC..Hα-helixtrans-58.4-16.7178.4-54.4-28.6000116M1 P7 Y118 H120 P203M1-N3 VanDerWaalsContact C-N 3.26Å; M1-N3 PolarHBondContact O-N 2.99Å; N3-P7 VanDerWaalsContact O-CD 3.32Å; N3-P7 WeakPolarHBondContact O-CD 3.39Å; N3-P7 WeakPolarHBondContact O-CG 3.31Å; N3-Y118 HydrophobicContact CB-CD1 4.28Å; N3-Y118 HydrophobicContact CB-CE1 3.89Å; N3-H120 VanDerWaalsContact CB-CE1 3.47Å; N3-H120 WeakPolarHBondContact CB-CE1 3.46Å; N3-H120 WeakPolarHBondContact CB-NE2 3.27Å; N3-H120 PolarHBondContact ND2-CE1 2.98Å; N3-H120 PolarHBondContact ND2-ND1 2.97Å; N3-H120 PolarHBondContact ND2-NE2 2.88Å; N3-H120 VanDerWaalsContact ND2-NE2 3.1Å; N3-P203 WeakPolarHBondContact OD1-CD 3.48Å
4L80.3Confident79.8Confident53 Ų5342.9 Ų42.928%0.27722%0.219SC..Hα-helixtrans-82.5-39.3171.7170.669000111.2M1 E2 V22M1-L4 WeakPolarHBondContact O-CB 3.42Å; M1-L4 PolarHBondContact O-N 3.33Å; E2-L4 PolarHBondContact O-N 2.71Å; L4-V22 HydrophobicContact CD2-CG1 4.29Å
5W85.1Confident80.5Confident9 Ų941.3 Ų41.33%0.03421%0.209CC..Hα-helixtrans-87.1-38.6-170.6-61.9114.1000112.1E2 P7 L8 P9 V22 V34 L35 A38 I44 L46 V50 F52E2-W5 PolarHBondContact O-N 3.3Å; W5-P7 VanDerWaalsContact C-CD 3.45Å; W5-P7 VanDerWaalsContact C-N 3.35Å; W5-L8 HydrophobicContact CE3-CD1 3.79Å; W5-L8 HydrophobicContact CZ3-CD1 4.07Å; W5-L8 WeakPolarHBondContact O-CB 3.28Å; W5-L8 PolarHBondContact O-N 3.02Å; W5-P9 VanDerWaalsContact O-CD 3.23Å; W5-P9 WeakPolarHBondContact O-CD 3.33Å; W5-V22 HydrophobicContact CH2-CG1 4.34Å; W5-V22 HydrophobicContact CH2-CG2 4.21Å; W5-V22 HydrophobicContact CZ3-CG2 4.25Å; W5-V34 HydrophobicContact CH2-CG1 3.93Å; W5-V34 HydrophobicContact CZ2-CG1 3.48Å; W5-V34 VanDerWaalsContact CZ2-CG1 3.48Å; W5-L35 HydrophobicContact CE3-CD2 4.26Å; W5-L35 HydrophobicContact CH2-CD2 4.12Å; W5-L35 HydrophobicContact CZ3-CD2 3.7Å; W5-A38 HydrophobicContact CD2-CB 4.09Å; W5-A38 HydrophobicContact CG-CB 3.97Å; W5-I44 HydrophobicContact CB-CD1 3.5Å; W5-I44 HydrophobicContact CB-CG2 4.19Å; W5-L46 HydrophobicContact CE3-CD1 4.3Å; W5-L46 HydrophobicContact CZ3-CD1 4.18Å; W5-V50 HydrophobicContact CZ3-CG1 4.37Å; W5-F52 AromaticContact CH2-CE1 3.73Å; W5-F52 HydrophobicContact CH2-CE1 3.73Å; W5-F52 AromaticContact CH2-CZ 3.67Å; W5-F52 HydrophobicContact CH2-CZ 3.67Å; W5-F52 HydrophobicContact CZ2-CE1 4.47Å; W5-F52 HydrophobicContact CZ3-CZ 4.35Å
6Q84.8Confident80.8Confident14 Ų1443.8 Ų43.87%0.06523%0.229CC..THydrogen-bonded Turntrans-59-35.9-176-155.373.7-2300114.2E2 L8 I44 P203 D424 F427E2-Q6 PolarHBondContact O-N 3.45Å; Q6-L8 VanDerWaalsContact C-N 3.27Å; Q6-L8 PolarHBondContact O-N 3.15Å; Q6-I44 HydrophobicContact CB-CD1 4.36Å; Q6-P203 HydrophobicContact CB-CG 4.2Å; Q6-P203 HydrophobicContact CG-CB 4.17Å; Q6-P203 HydrophobicContact CG-CG 3.93Å; Q6-D424 PolarHBondContact NE2-OD1 3.04Å; Q6-F427 HydrophobicContact CB-CD1 4.02Å; Q6-F427 HydrophobicContact CB-CE1 3.62Å; Q6-F427 HydrophobicContact CG-CD1 3.72Å; Q6-F427 HydrophobicContact CG-CE1 3.88Å
7P83.8Confident81.2Confident9 Ų949.7 Ų49.76%0.05826%0.261CS..THydrogen-bonded Turntrans-67-23.4174.8-2232.9000114.4N3 W5 P10 H11 F427 F431N3-P7 VanDerWaalsContact O-CD 3.32Å; N3-P7 WeakPolarHBondContact O-CD 3.39Å; N3-P7 WeakPolarHBondContact O-CG 3.31Å; W5-P7 VanDerWaalsContact C-CD 3.45Å; W5-P7 VanDerWaalsContact C-N 3.35Å; P7-P10 VanDerWaalsContact O-CD 3.31Å; P7-P10 WeakPolarHBondContact O-CD 3.49Å; P7-P10 VanDerWaalsContact O-CG 3.24Å; P7-P10 WeakPolarHBondContact O-CG 3.49Å; P7-H11 PolarHBondContact O-ND1 3.22Å; P7-F427 HydrophobicContact CB-CE1 4.47Å; P7-F427 HydrophobicContact CG-CE1 3.67Å; P7-F427 HydrophobicContact CG-CZ 3.66Å; P7-F431 HydrophobicContact CB-CD1 4.02Å; P7-F431 HydrophobicContact CB-CD2 4.15Å; P7-F431 HydrophobicContact CB-CE1 3.82Å; P7-F431 HydrophobicContact CB-CE2 3.98Å; P7-F431 HydrophobicContact CB-CG 4.16Å; P7-F431 HydrophobicContact CB-CZ 3.8Å; P7-F431 HydrophobicContact CG-CD2 3.79Å; P7-F431 HydrophobicContact CG-CE1 4.27Å; P7-F431 HydrophobicContact CG-CE2 3.51Å; P7-F431 HydrophobicContact CG-CG 4.3Å; P7-F431 HydrophobicContact CG-CZ 3.76Å
8L84.6Confident81.7Confident16 Ų1648.6 Ų48.68%0.08426%0.257CS..Hα-helixtrans-70.5-49.8-166.5-61.4177.7000113.7W5 Q6 H11 Y12 F20 L46W5-L8 HydrophobicContact CE3-CD1 3.79Å; W5-L8 HydrophobicContact CZ3-CD1 4.07Å; W5-L8 WeakPolarHBondContact O-CB 3.28Å; W5-L8 PolarHBondContact O-N 3.02Å; Q6-L8 VanDerWaalsContact C-N 3.27Å; Q6-L8 PolarHBondContact O-N 3.15Å; L8-H11 PolarHBondContact O-N 2.79Å; L8-Y12 HydrophobicContact CB-CD2 4.18Å; L8-Y12 HydrophobicContact CB-CE2 4.11Å; L8-Y12 VanDerWaalsContact O-CD2 3.23Å; L8-Y12 WeakPolarHBondContact O-CD2 3.41Å; L8-Y12 PolarHBondContact O-N 3.25Å; L8-F20 HydrophobicContact CD2-CB 4.39Å; L8-F20 HydrophobicContact CD2-CD1 3.39Å; L8-F20 HydrophobicContact CD2-CE1 3.8Å; L8-F20 HydrophobicContact CD2-CG 3.92Å; L8-L46 HydrophobicContact CB-CD2 3.71Å; L8-L46 HydrophobicContact CD1-CD1 4.17Å; L8-L46 HydrophobicContact CD1-CD2 4.09Å
9P85.4Confident82.2Confident27 Ų2751.5 Ų51.518%0.17528%0.281CS..Hα-helixtrans-51.8-49.2179.7-25.533.9000115.5W5 H11 Y12 S13 I44 L46W5-P9 VanDerWaalsContact O-CD 3.23Å; W5-P9 WeakPolarHBondContact O-CD 3.33Å; P9-H11 VanDerWaalsContact C-N 3.32Å; P9-H11 PolarHBondContact O-N 3.04Å; P9-Y12 WeakPolarHBondContact O-CB 3.48Å; P9-Y12 PolarHBondContact O-N 3.44Å; P9-S13 PolarHBondContact O-N 3.26Å; P9-S13 VanDerWaalsContact O-N 3.16Å; P9-S13 PolarHBondContact O-OG 3.11Å; P9-I44 HydrophobicContact CG-CG2 4.15Å; P9-L46 HydrophobicContact CG-CD2 4.1Å
10P85.5Confident82.8Confident14 Ų1450.6 Ų50.69%0.09128%0.275CS..Hα-helixtrans-66.3-34.3179.727.4-38000112.2P7 S13 R14 E428 L432P7-P10 VanDerWaalsContact O-CD 3.31Å; P7-P10 WeakPolarHBondContact O-CD 3.49Å; P7-P10 VanDerWaalsContact O-CG 3.24Å; P7-P10 WeakPolarHBondContact O-CG 3.49Å; P10-S13 PolarHBondContact O-N 2.96Å; P10-R14 WeakPolarHBondContact O-CB 3.5Å; P10-R14 PolarHBondContact O-N 2.84Å; P10-E428 HydrophobicContact CB-CB 4.28Å; P10-E428 HydrophobicContact CB-CG 4.33Å; P10-E428 HydrophobicContact CG-CB 4.03Å; P10-E428 HydrophobicContact CG-CG 3.76Å; P10-L432 HydrophobicContact CB-CD1 3.99Å; P10-L432 HydrophobicContact CB-CG 4.4Å
11H84.5Confident83.4Confident9 Ų950 Ų504%0.04227%0.272CS..Hα-helixtrans-71.2-36.2176.3-69.568.3000112.2P7 L8 P9 S13 R14 Y15 F20 F431 T435P7-H11 PolarHBondContact O-ND1 3.22Å; L8-H11 PolarHBondContact O-N 2.79Å; P9-H11 VanDerWaalsContact C-N 3.32Å; P9-H11 PolarHBondContact O-N 3.04Å; H11-S13 PolarHBondContact O-N 3.4Å; H11-R14 PolarHBondContact O-N 2.84Å; H11-Y15 HydrophobicContact CB-CD2 4.31Å; H11-Y15 WeakPolarHBondContact O-CB 3.3Å; H11-Y15 PolarHBondContact O-N 3.21Å; H11-F20 HydrophobicContact CB-CE1 4.17Å; H11-F20 HydrophobicContact CB-CZ 3.57Å; H11-F431 AromaticContact CE1-CD1 3.39Å; H11-F431 WeakPolarHBondContact CE1-CD1 3.41Å; H11-F431 AromaticContact CE1-CE1 3.83Å; H11-F431 AromaticContact NE2-CD1 3.78Å; H11-F431 AromaticContact NE2-CE1 3.99Å; H11-T435 PolarHBondContact NE2-OG1 2.96Å
12Y84.9Confident85.4Confident7 Ų744.1 Ų44.13%0.02724%0.244CC..Hα-helixtrans-59.1-38.8172.8-88-63.8000112L8 P9 F20 L46 P47 R48 P49L8-Y12 HydrophobicContact CB-CD2 4.18Å; L8-Y12 HydrophobicContact CB-CE2 4.11Å; L8-Y12 VanDerWaalsContact O-CD2 3.23Å; L8-Y12 WeakPolarHBondContact O-CD2 3.41Å; L8-Y12 PolarHBondContact O-N 3.25Å; P9-Y12 WeakPolarHBondContact O-CB 3.48Å; P9-Y12 PolarHBondContact O-N 3.44Å; Y12-F20 AromaticContact CD1-CD2 3.74Å; Y12-F20 HydrophobicContact CD1-CD2 3.74Å; Y12-F20 AromaticContact CD1-CE2 3.64Å; Y12-F20 HydrophobicContact CD1-CE2 3.64Å; Y12-F20 HydrophobicContact CD2-CD2 4.21Å; Y12-F20 HydrophobicContact CD2-CE2 4.18Å; Y12-F20 AromaticContact CE1-CD2 3.36Å; Y12-F20 HydrophobicContact CE1-CD2 3.36Å; Y12-F20 AromaticContact CE1-CE2 3.79Å; Y12-F20 HydrophobicContact CE1-CE2 3.79Å; Y12-F20 HydrophobicContact CE1-CG 4.48Å; Y12-F20 AromaticContact CE2-CD2 3.79Å; Y12-F20 HydrophobicContact CE2-CD2 3.79Å; Y12-F20 HydrophobicContact CE2-CE2 4.23Å; Y12-F20 HydrophobicContact CE2-CG 4.42Å; Y12-F20 HydrophobicContact CG-CD2 4.19Å; Y12-F20 AromaticContact CG-CE2 3.89Å; Y12-F20 HydrophobicContact CG-CE2 3.89Å; Y12-F20 AromaticContact CZ-CD2 3.37Å; Y12-L46 HydrophobicContact CE2-CB 4.38Å; Y12-L46 HydrophobicContact CE2-CD1 4.36Å; Y12-L46 HydrophobicContact CE2-CD2 4.32Å; Y12-P47 VanDerWaalsContact CB-CG 3.49Å; Y12-P47 HydrophobicContact CD2-CG 3.91Å; Y12-P47 HydrophobicContact CG-CG 3.81Å; Y12-R48 HydrophobicContact CD1-CB 4.08Å; Y12-R48 VanDerWaalsContact CD1-NE 3.34Å; Y12-R48 HydrophobicContact CE1-CB 3.74Å; Y12-R48 PolarHBondContact O-NH2 3.42Å; Y12-P49 PolarHBondContact OH-O 3.44Å
13S84.6Confident87Confident98 Ų9844.8 Ų44.869%0.68525%0.245SC*.Hα-helixtrans-73.1-41.7177.9-61.90000112.1P9 P10 H11P9-S13 PolarHBondContact O-N 3.26Å; P9-S13 VanDerWaalsContact O-N 3.16Å; P9-S13 PolarHBondContact O-OG 3.11Å; P10-S13 PolarHBondContact O-N 2.96Å; H11-S13 PolarHBondContact O-N 3.4Å
14R88.4Confident88.1Confident151 Ų15144.3 Ų44.357%0.5724%0.244SC*.Hα-helixtrans-74.3-34.2-179.2-173.360.9169.5170.2-2.5113.1P10 H11 P16 L432 E436P10-R14 WeakPolarHBondContact O-CB 3.5Å; P10-R14 PolarHBondContact O-N 2.84Å; H11-R14 PolarHBondContact O-N 2.84Å; R14-P16 WeakPolarHBondContact O-CD 3.5Å; R14-L432 HydrophobicContact CB-CD2 4.38Å; R14-E436 IonicContact NH2-OE1 3.55Å
15Y89.2Confident88.6Confident18 Ų1842.5 Ų42.57%0.07124%0.238CC..  trans-124.180.7-174.2-54.8-69.6000111.3H11 N17 V18 R48 L432 M439 V443H11-Y15 HydrophobicContact CB-CD2 4.31Å; H11-Y15 WeakPolarHBondContact O-CB 3.3Å; H11-Y15 PolarHBondContact O-N 3.21Å; Y15-N17 PolarHBondContact O-N 2.67Å; Y15-V18 HydrophobicContact CG-CG2 4.37Å; Y15-V18 PolarHBondContact O-N 2.76Å; Y15-R48 PolarHBondContact O-NH2 3.47Å; Y15-L432 HydrophobicContact CE2-CD2 4.45Å; Y15-M439 HydrophobicContact CD1-CE 4.49Å; Y15-M439 HydrophobicContact CD2-CE 3.67Å; Y15-M439 HydrophobicContact CE1-CB 3.98Å; Y15-M439 HydrophobicContact CE2-CB 3.96Å; Y15-M439 HydrophobicContact CE2-CE 3.91Å; Y15-M439 HydrophobicContact CE2-CG 4.02Å; Y15-M439 HydrophobicContact CG-CE 3.99Å; Y15-M439 WeakPolarHBondContact OH-CB 3.42Å; Y15-V443 HydrophobicContact CD1-CG2 4.05Å
16P85.8Confident88.7Confident81 Ų8144.6 Ų44.653%0.52625%0.25SC..THydrogen-bonded Turntrans-63.3-27.5-174.123.9-33.9000113.4R14 R48R14-P16 WeakPolarHBondContact O-CD 3.5Å; P16-R48 PolarHBondContact O-NH1 3.2Å; P16-R48 PolarHBondContact O-NH2 3.32Å
17N87.9Confident88.8Confident145 Ų14551.2 Ų51.278%0.77528%0.278SS*.THydrogen-bonded Turntrans-91.51.4-177.6-60.7-26.1000113.8Y15Y15-N17 PolarHBondContact O-N 2.67Å
18V90.1Very high88.9Confident30 Ų3054.9 Ų54.918%0.18232%0.317CS..  trans-90.8137179.1174.70000110.2Y15 F20 M439 V443Y15-V18 HydrophobicContact CG-CG2 4.37Å; Y15-V18 PolarHBondContact O-N 2.76Å; V18-F20 HydrophobicContact CG1-CE1 4.43Å; V18-F20 HydrophobicContact CG1-CE2 4.03Å; V18-F20 HydrophobicContact CG1-CZ 3.95Å; V18-M439 HydrophobicContact CG1-CE 4.33Å; V18-M439 HydrophobicContact CG2-CE 4.07Å; V18-V443 HydrophobicContact CG2-CG2 3.7Å
19S91.8Very high89.2Confident103 Ų10356.7 Ų56.772%0.7233%0.329SS*.  trans-106.1142.2172-62.70000110
20F93.1Very high89.6Confident34 Ų3458.8 Ų58.815%0.14934%0.342CS..  trans-107.3139.2178.8-64.7-91.5000110.8L8 H11 Y12 V18 V50 T51L8-F20 HydrophobicContact CD2-CB 4.39Å; L8-F20 HydrophobicContact CD2-CD1 3.39Å; L8-F20 HydrophobicContact CD2-CE1 3.8Å; L8-F20 HydrophobicContact CD2-CG 3.92Å; H11-F20 HydrophobicContact CB-CE1 4.17Å; H11-F20 HydrophobicContact CB-CZ 3.57Å; Y12-F20 AromaticContact CD1-CD2 3.74Å; Y12-F20 HydrophobicContact CD1-CD2 3.74Å; Y12-F20 AromaticContact CD1-CE2 3.64Å; Y12-F20 HydrophobicContact CD1-CE2 3.64Å; Y12-F20 HydrophobicContact CD2-CD2 4.21Å; Y12-F20 HydrophobicContact CD2-CE2 4.18Å; Y12-F20 AromaticContact CE1-CD2 3.36Å; Y12-F20 HydrophobicContact CE1-CD2 3.36Å; Y12-F20 AromaticContact CE1-CE2 3.79Å; Y12-F20 HydrophobicContact CE1-CE2 3.79Å; Y12-F20 HydrophobicContact CE1-CG 4.48Å; Y12-F20 AromaticContact CE2-CD2 3.79Å; Y12-F20 HydrophobicContact CE2-CD2 3.79Å; Y12-F20 HydrophobicContact CE2-CE2 4.23Å; Y12-F20 HydrophobicContact CE2-CG 4.42Å; Y12-F20 HydrophobicContact CG-CD2 4.19Å; Y12-F20 AromaticContact CG-CE2 3.89Å; Y12-F20 HydrophobicContact CG-CE2 3.89Å; Y12-F20 AromaticContact CZ-CD2 3.37Å; V18-F20 HydrophobicContact CG1-CE1 4.43Å; V18-F20 HydrophobicContact CG1-CE2 4.03Å; V18-F20 HydrophobicContact CG1-CZ 3.95Å; F20-V50 HydrophobicContact CB-CG2 3.83Å; F20-V50 WeakPolarHBondContact O-CG2 3.39Å; F20-T51 PolarHBondContact O-N 3.25Å
21V95.3Very high89.8Confident37 Ų3758.8 Ų58.822%0.22434%0.344CS..EExtended strand (participates in β ladder)trans-126.1128.2177-176.20000108.4T51 I53 F89V21-T51 CarbonylContact C-O 3.43Å; V21-T51 VanDerWaalsContact CA-O 3.32Å; V21-T51 WeakPolarHBondContact CA-O 3.38Å; V21-I53 HydrophobicContact CG1-CD1 3.45Å; V21-I53 VanDerWaalsContact CG1-CD1 3.45Å; V21-I53 HydrophobicContact CG1-CG1 3.79Å; V21-F89 HydrophobicContact CB-CD1 4.25Å; V21-F89 HydrophobicContact CB-CE1 4.2Å; V21-F89 HydrophobicContact CG1-CD1 4.16Å; V21-F89 HydrophobicContact CG2-CD1 3.93Å; V21-F89 HydrophobicContact CG2-CE1 3.53Å; V21-F89 HydrophobicContact CG2-CE2 4.47Å; V21-F89 HydrophobicContact CG2-CZ 3.83Å
22V95.6Very high90.1Very high13 Ų1366.1 Ų66.18%0.07938%0.378CS..EExtended strand (participates in β ladder)trans-109.7115.7178.2174.10000108.8L4 W5 V50 T51 F52 I53L4-V22 HydrophobicContact CD2-CG1 4.29Å; W5-V22 HydrophobicContact CH2-CG1 4.34Å; W5-V22 HydrophobicContact CH2-CG2 4.21Å; W5-V22 HydrophobicContact CZ3-CG2 4.25Å; V22-V50 HydrophobicContact CB-CG2 4.48Å; V22-V50 HydrophobicContact CG2-CG2 3.66Å; V22-T51 PolarHBondContact N-O 3.44Å; V22-F52 HydrophobicContact CB-CD1 3.97Å; V22-F52 HydrophobicContact CB-CE1 4.05Å; V22-F52 HydrophobicContact CG1-CD1 4.01Å; V22-F52 HydrophobicContact CG1-CE1 3.92Å; V22-F52 WeakPolarHBondContact O-CA 3.34Å; V22-I53 PolarHBondContact O-N 3.42Å
23Y95.6Very high90.5Very high47 Ų4771.1 Ų71.118%0.18440%0.402CS..EExtended strand (participates in β ladder)trans-80.6125166.9-56.3-78.3000109.2I53 L55 A85 F89 Y94 F107Y23-I53 WeakPolarHBondContact CA-O 3.46Å; Y23-I53 HydrophobicContact CD1-CB 3.69Å; Y23-I53 HydrophobicContact CD1-CD1 4.11Å; Y23-I53 HydrophobicContact CD1-CG1 4.44Å; Y23-I53 HydrophobicContact CD1-CG2 3.74Å; Y23-I53 HydrophobicContact CE1-CB 4.05Å; Y23-I53 HydrophobicContact CE1-CD1 3.56Å; Y23-I53 HydrophobicContact CE1-CG1 4.36Å; Y23-I53 HydrophobicContact CE1-CG2 4.04Å; Y23-L55 HydrophobicContact CD1-CD2 4.32Å; Y23-A85 HydrophobicContact CD1-CB 3.55Å; Y23-A85 HydrophobicContact CE1-CB 3.73Å; Y23-A85 WeakPolarHBondContact CE1-O 3.39Å; Y23-A85 HydrophobicContact CG-CB 3.98Å; Y23-F89 HydrophobicContact CE1-CB 4.38Å; Y23-F89 WeakPolarHBondContact OH-CD1 3.35Å; Y23-F89 PolarHBondContact OH-O 2.61Å; Y23-Y94 HydrophobicContact CD2-CE2 4.36Å; Y23-Y94 HydrophobicContact CE2-CD2 4.31Å; Y23-Y94 HydrophobicContact CE2-CE2 4.42Å; Y23-F107 HydrophobicContact CE2-CE1 4.4Å; Y23-F107 HydrophobicContact CE2-CZ 4.29Å
24T93.4Very high90.7Very high16 Ų1667.6 Ų67.610%0.09838%0.377CS..EExtended strand (participates in β ladder)trans-132.6142.9177179.40000110.9D26 F52 I53 F54 L55T24-D26 WeakPolarHBondContact OG1-CB 3.32Å; T24-D26 VanDerWaalsContact OG1-CG 3.25Å; T24-D26 PolarHBondContact OG1-N 2.87Å; T24-D26 PolarHBondContact OG1-OD2 3.11Å; T24-F52 HydrophobicContact CG2-CD1 4.18Å; T24-I53 PolarHBondContact N-O 3.36Å; T24-F54 HydrophobicContact CG2-CD1 3.53Å; T24-F54 HydrophobicContact CG2-CE1 3.53Å; T24-F54 HydrophobicContact CG2-CG 4.14Å; T24-F54 HydrophobicContact CG2-CZ 4.16Å; T24-F54 CarbonylContact O-C 3.56Å; T24-F54 WeakPolarHBondContact O-CA 3.43Å; T24-L55 PolarHBondContact O-N 3.49Å
25G90.5Very high90.8Very high15 Ų1562.8 Ų62.816%0.15536%0.362CS..  trans-97.910.9170.300000113.2R58G25-R58 WeakPolarHBondContact O-CD 3.26Å
26D88.3Confident90.9Very high52 Ų5265.2 Ų65.228%0.27837%0.374SS..  trans-65.2139.5176.4-64-36.2000110.5T24 V29 F54 R58T24-D26 WeakPolarHBondContact OG1-CB 3.32Å; T24-D26 VanDerWaalsContact OG1-CG 3.25Å; T24-D26 PolarHBondContact OG1-N 2.87Å; T24-D26 PolarHBondContact OG1-OD2 3.11Å; D26-V29 HydrophobicContact CB-CG2 3.5Å; D26-F54 WeakPolarHBondContact O-CD1 3.48Å; D26-R58 IonicContact OD1-CZ 3.61Å; D26-R58 IonicContact OD1-NH1 3.15Å; D26-R58 PolarHBondContact OD1-NH1 2.99Å
27K86.4Confident90.9Very high153 Ų15362.3 Ų62.367%0.66536%0.358SS*.  trans-112.8141.4-177.4-65.8-177.8-179.9177.70109.9V29K27-V29 PolarHBondContact O-N 3.41Å
28G86.9Confident90.9Very high86 Ų8655.6 Ų55.689%0.88732%0.323SS*.SBendtrans69.718.9174.500000114.6
29V90.8Very high90.7Very high55 Ų5559.4 Ų59.433%0.33333%0.334SS..  trans-123.2148175.4-60.10000110.4D26 K27 V34 F54D26-V29 HydrophobicContact CB-CG2 3.5Å; K27-V29 PolarHBondContact O-N 3.41Å; V29-V34 HydrophobicContact CB-CG2 4.46Å; V29-V34 HydrophobicContact CG2-CG2 3.82Å; V29-F54 HydrophobicContact CG2-CE1 4.17Å; V29-F54 VanDerWaalsContact O-CE1 3.27Å; V29-F54 WeakPolarHBondContact O-CE1 3.35Å; V29-F54 WeakPolarHBondContact O-CZ 3.29Å
30T92.5Very high90.4Very high71 Ų7160.9 Ų60.944%0.43633%0.33SS..  trans-91.7160.5173.461.10000110.7E32 Q33 V34T30-E32 PolarHBondContact O-N 3.08Å; T30-Q33 PolarHBondContact O-N 3.23Å; T30-Q33 VanDerWaalsContact OG1-CG 3.27Å; T30-Q33 WeakPolarHBondContact OG1-CG 3.12Å; T30-Q33 PolarHBondContact OG1-N 2.98Å; T30-Q33 PolarHBondContact OG1-OE1 3.31Å; T30-V34 WeakPolarHBondContact O-CG2 3.29Å; T30-V34 PolarHBondContact O-N 3.05Å; T30-V34 VanDerWaalsContact O-N 3.08Å
31G90.2Very high89.8Confident14 Ų1467.8 Ų67.814%0.14436%0.355CS..Hα-helixtrans-57.8-37.7174.500000112.9V34 L35 F52G31-V34 PolarHBondContact O-N 3.4Å; G31-L35 WeakPolarHBondContact O-CG 3.01Å; G31-L35 PolarHBondContact O-N 3.07Å; G31-F52 VanDerWaalsContact CA-CD2 3.44Å; G31-F52 VanDerWaalsContact CA-CE2 3.42Å
32E91.2Very high89.1Confident162 Ų16268.2 Ų68.276%0.75735%0.354SS*.Hα-helixtrans-62.2-43.2175.6-66.8178.2-179.500112.1T30 V34 L35 E36T30-E32 PolarHBondContact O-N 3.08Å; E32-V34 VanDerWaalsContact C-N 3.3Å; E32-V34 PolarHBondContact O-N 3.2Å; E32-L35 PolarHBondContact O-N 3.36Å; E32-E36 WeakPolarHBondContact O-CB 3.2Å; E32-E36 PolarHBondContact O-N 3.05Å
33Q92.1Very high88.6Confident112 Ų11273.6 Ų73.652%0.52338%0.382SS..Hα-helixtrans-64.6-35.4175.9-73.6168.1-44.800112.3T30 G37T30-Q33 PolarHBondContact O-N 3.23Å; T30-Q33 VanDerWaalsContact OG1-CG 3.27Å; T30-Q33 WeakPolarHBondContact OG1-CG 3.12Å; T30-Q33 PolarHBondContact OG1-N 2.98Å; T30-Q33 PolarHBondContact OG1-OE1 3.31Å; Q33-G37 PolarHBondContact O-N 3.26Å
34V90.2Very high88.1Confident25 Ų2572 Ų7215%0.15238%0.376CS..Hα-helixtrans-66.5-45.4175.4174.40000110.7W5 V29 T30 G31 E32 G37 A38 F52W5-V34 HydrophobicContact CH2-CG1 3.93Å; W5-V34 HydrophobicContact CZ2-CG1 3.48Å; W5-V34 VanDerWaalsContact CZ2-CG1 3.48Å; V29-V34 HydrophobicContact CB-CG2 4.46Å; V29-V34 HydrophobicContact CG2-CG2 3.82Å; T30-V34 WeakPolarHBondContact O-CG2 3.29Å; T30-V34 PolarHBondContact O-N 3.05Å; T30-V34 VanDerWaalsContact O-N 3.08Å; G31-V34 PolarHBondContact O-N 3.4Å; E32-V34 VanDerWaalsContact C-N 3.3Å; E32-V34 PolarHBondContact O-N 3.2Å; V34-G37 PolarHBondContact O-N 3.49Å; V34-A38 PolarHBondContact O-N 3.22Å; V34-F52 HydrophobicContact CB-CE1 4.1Å; V34-F52 HydrophobicContact CB-CZ 4.09Å; V34-F52 HydrophobicContact CG1-CE1 3.79Å; V34-F52 HydrophobicContact CG1-CZ 3.99Å
35L90.9Very high87.8Confident49 Ų4975.9 Ų75.926%0.25740%0.401SS..Hα-helixtrans-65.2-40.7177.1-68.8176.2000112.2W5 G31 E32 G37 A38 R39 L46 V50 F52W5-L35 HydrophobicContact CE3-CD2 4.26Å; W5-L35 HydrophobicContact CH2-CD2 4.12Å; W5-L35 HydrophobicContact CZ3-CD2 3.7Å; G31-L35 WeakPolarHBondContact O-CG 3.01Å; G31-L35 PolarHBondContact O-N 3.07Å; E32-L35 PolarHBondContact O-N 3.36Å; L35-G37 VanDerWaalsContact C-N 3.29Å; L35-G37 PolarHBondContact O-N 3.13Å; L35-A38 WeakPolarHBondContact O-CB 3.45Å; L35-A38 PolarHBondContact O-N 2.91Å; L35-A38 VanDerWaalsContact O-N 3.13Å; L35-R39 PolarHBondContact O-N 3.36Å; L35-L46 HydrophobicContact CD2-CD1 3.55Å; L35-L46 HydrophobicContact CD2-CG 4.16Å; L35-V50 HydrophobicContact CD1-CG1 4.27Å; L35-V50 HydrophobicContact CD2-CG1 3.96Å; L35-V50 HydrophobicContact CG-CG1 4.49Å; L35-F52 HydrophobicContact CD1-CE2 4.25Å; L35-F52 HydrophobicContact CD2-CE2 4.47Å; L35-F52 HydrophobicContact CD2-CZ 4.14Å; L35-F52 HydrophobicContact CG-CE2 4.08Å; L35-F52 HydrophobicContact CG-CZ 4.03Å
36E89.6Confident87.7Confident69 Ų6976.5 Ų76.532%0.32240%0.4SS..Hα-helixtrans-63.2-38.6174.7-179.356.6-160.900111.1E32 A38 R39 Q40E32-E36 WeakPolarHBondContact O-CB 3.2Å; E32-E36 PolarHBondContact O-N 3.05Å; E36-A38 VanDerWaalsContact C-N 3.34Å; E36-A38 PolarHBondContact O-N 3.41Å; E36-R39 PolarHBondContact O-N 3.43Å; E36-R39 IonicContact OE1-CZ 2.61Å; E36-R39 IonicContact OE1-NE 2.79Å; E36-R39 PolarHBondContact OE1-NE 3.13Å; E36-R39 IonicContact OE1-NH2 2.7Å; E36-R39 PolarHBondContact OE1-NH2 2.57Å; E36-R39 IonicContact OE2-CZ 2.57Å; E36-R39 IonicContact OE2-NE 2.67Å; E36-R39 PolarHBondContact OE2-NE 2.7Å; E36-R39 IonicContact OE2-NH2 3.44Å; E36-Q40 HydrophobicContact CG-CG 4.45Å; E36-Q40 WeakPolarHBondContact O-CB 3.41Å; E36-Q40 VanDerWaalsContact O-CG 3.26Å; E36-Q40 WeakPolarHBondContact O-CG 3.17Å; E36-Q40 PolarHBondContact O-N 2.96Å; E36-Q40 WeakPolarHBondContact OE1-CG 3.43Å; E36-Q40 PolarHBondContact OE1-NE2 2.7Å
37G87Confident87.6Confident20 Ų2077.9 Ų77.921%0.20641%0.412CS..Hα-helixtrans-62.2-38.9171.500000113.1Q33 V34 L35 R41Q33-G37 PolarHBondContact O-N 3.26Å; V34-G37 PolarHBondContact O-N 3.49Å; L35-G37 VanDerWaalsContact C-N 3.29Å; L35-G37 PolarHBondContact O-N 3.13Å; G37-R41 VanDerWaalsContact O-CB 3.28Å; G37-R41 WeakPolarHBondContact O-CB 3.24Å; G37-R41 VanDerWaalsContact O-CG 3.3Å; G37-R41 WeakPolarHBondContact O-CG 3.38Å; G37-R41 PolarHBondContact O-N 3.03Å
38A86.9Confident87.7Confident4 Ų474.7 Ų74.73%0.03340%0.396CS..Hα-helixtrans-66.3-42.1174.500000111.7W5 V34 L35 E36 F42W5-A38 HydrophobicContact CD2-CB 4.09Å; W5-A38 HydrophobicContact CG-CB 3.97Å; V34-A38 PolarHBondContact O-N 3.22Å; L35-A38 WeakPolarHBondContact O-CB 3.45Å; L35-A38 PolarHBondContact O-N 2.91Å; L35-A38 VanDerWaalsContact O-N 3.13Å; E36-A38 VanDerWaalsContact C-N 3.34Å; E36-A38 PolarHBondContact O-N 3.41Å; A38-F42 HydrophobicContact CB-CD2 4.43Å; A38-F42 WeakPolarHBondContact O-CA 3.4Å; A38-F42 WeakPolarHBondContact O-CB 3.42Å; A38-F42 PolarHBondContact O-N 3.19Å
39R87.1Confident87.6Confident110 Ų11076.4 Ų76.442%0.41539%0.391SS..Hα-helixtrans-62.1-46.4175.2-167.7-169.57277.6-0.4111.9L35 E36 N43 I44L35-R39 PolarHBondContact O-N 3.36Å; E36-R39 PolarHBondContact O-N 3.43Å; E36-R39 IonicContact OE1-CZ 2.61Å; E36-R39 IonicContact OE1-NE 2.79Å; E36-R39 PolarHBondContact OE1-NE 3.13Å; E36-R39 IonicContact OE1-NH2 2.7Å; E36-R39 PolarHBondContact OE1-NH2 2.57Å; E36-R39 IonicContact OE2-CZ 2.57Å; E36-R39 IonicContact OE2-NE 2.67Å; E36-R39 PolarHBondContact OE2-NE 2.7Å; E36-R39 IonicContact OE2-NH2 3.44Å; R39-N43 WeakPolarHBondContact O-CA 3.45Å; R39-N43 PolarHBondContact O-N 3.34Å; R39-I44 WeakPolarHBondContact CA-O 3.39Å
40Q84.1Confident87.7Confident134 Ų13474.4 Ų74.463%0.62638%0.379SS*.Hα-helixtrans-69.2-34.7-178.3-73.1176.93.900113.2E36E36-Q40 HydrophobicContact CG-CG 4.45Å; E36-Q40 WeakPolarHBondContact O-CB 3.41Å; E36-Q40 VanDerWaalsContact O-CG 3.26Å; E36-Q40 WeakPolarHBondContact O-CG 3.17Å; E36-Q40 PolarHBondContact O-N 2.96Å; E36-Q40 WeakPolarHBondContact OE1-CG 3.43Å; E36-Q40 PolarHBondContact OE1-NE2 2.7Å
41R80.4Confident87.8Confident180 Ų18075.1 Ų75.168%0.67938%0.383SS*.Hα-helixtrans-92.9-32.3-173.9-68.7179.2177.7174.10.1114.1G37G37-R41 VanDerWaalsContact O-CB 3.28Å; G37-R41 WeakPolarHBondContact O-CB 3.24Å; G37-R41 VanDerWaalsContact O-CG 3.3Å; G37-R41 WeakPolarHBondContact O-CG 3.38Å; G37-R41 PolarHBondContact O-N 3.03Å
42F82.4Confident88.1Confident45 Ų4576 Ų7620%0.19738%0.384CS..Hα-helixtrans-126.40.7-170.9-48.2-59.1000112.2M1 E2 A38 I44M1-F42 HydrophobicContact CB-CE2 3.98Å; M1-F42 HydrophobicContact CB-CZ 4.02Å; E2-F42 HydrophobicContact CB-CD1 3.59Å; E2-F42 HydrophobicContact CB-CD2 4.3Å; E2-F42 HydrophobicContact CB-CE1 3.68Å; E2-F42 HydrophobicContact CB-CE2 4.38Å; E2-F42 HydrophobicContact CB-CG 3.94Å; E2-F42 HydrophobicContact CB-CZ 4.08Å; E2-F42 HydrophobicContact CG-CB 4.2Å; E2-F42 HydrophobicContact CG-CD1 3.73Å; E2-F42 HydrophobicContact CG-CE1 4.31Å; E2-F42 HydrophobicContact CG-CG 3.96Å; A38-F42 HydrophobicContact CB-CD2 4.43Å; A38-F42 WeakPolarHBondContact O-CA 3.4Å; A38-F42 WeakPolarHBondContact O-CB 3.42Å; A38-F42 PolarHBondContact O-N 3.19Å; F42-I44 HydrophobicContact CB-CD1 3.51Å; F42-I44 HydrophobicContact CB-CG1 3.71Å; F42-I44 HydrophobicContact CD2-CD1 4.48Å; F42-I44 HydrophobicContact CG-CD1 4.3Å; F42-I44 WeakPolarHBondContact O-CG1 3.42Å; F42-I44 PolarHBondContact O-N 3.31Å; F42-I44 VanDerWaalsContact O-N 3.16Å
43N83.9Confident88.3Confident127 Ų12769.5 Ų69.568%0.67935%0.354SS*.  trans5728.2-175.9-162.731.4000113.9R39R39-N43 WeakPolarHBondContact O-CA 3.45Å; R39-N43 PolarHBondContact O-N 3.34Å
44I85.1Confident88.5Confident12 Ų1268.1 Ų68.16%0.06235%0.346CS..  trans-95126.5-178-56.8168.8000109.9E2 W5 Q6 P9 R39 F42 L46E2-I44 HydrophobicContact CG-CD1 4.48Å; W5-I44 HydrophobicContact CB-CD1 3.5Å; W5-I44 HydrophobicContact CB-CG2 4.19Å; Q6-I44 HydrophobicContact CB-CD1 4.36Å; P9-I44 HydrophobicContact CG-CG2 4.15Å; R39-I44 WeakPolarHBondContact CA-O 3.39Å; F42-I44 HydrophobicContact CB-CD1 3.51Å; F42-I44 HydrophobicContact CB-CG1 3.71Å; F42-I44 HydrophobicContact CD2-CD1 4.48Å; F42-I44 HydrophobicContact CG-CD1 4.3Å; F42-I44 WeakPolarHBondContact O-CG1 3.42Å; F42-I44 PolarHBondContact O-N 3.31Å; F42-I44 VanDerWaalsContact O-N 3.16Å; I44-L46 HydrophobicContact CG2-CD2 4.39Å
45T87.4Confident88.8Confident99 Ų9967.9 Ų67.961%0.60734%0.344SS*.  trans-120.9128.6171.4-560000109.5
46L88.4Confident89Confident27 Ų2775 Ų7514%0.14137%0.367CS..  trans-82.1134.4176.8-59.1-175.2000110.1W5 L8 P9 Y12 L35 I44 R48 V50W5-L46 HydrophobicContact CE3-CD1 4.3Å; W5-L46 HydrophobicContact CZ3-CD1 4.18Å; L8-L46 HydrophobicContact CB-CD2 3.71Å; L8-L46 HydrophobicContact CD1-CD1 4.17Å; L8-L46 HydrophobicContact CD1-CD2 4.09Å; P9-L46 HydrophobicContact CG-CD2 4.1Å; Y12-L46 HydrophobicContact CE2-CB 4.38Å; Y12-L46 HydrophobicContact CE2-CD1 4.36Å; Y12-L46 HydrophobicContact CE2-CD2 4.32Å; L35-L46 HydrophobicContact CD2-CD1 3.55Å; L35-L46 HydrophobicContact CD2-CG 4.16Å; I44-L46 HydrophobicContact CG2-CD2 4.39Å; L46-R48 WeakPolarHBondContact CB-O 3.45Å; L46-R48 PolarHBondContact O-N 3.16Å; L46-V50 HydrophobicContact CD1-CB 3.97Å; L46-V50 HydrophobicContact CD1-CG1 3.77Å
47P86.3Confident89.2Confident81 Ų8175.7 Ų75.753%0.52637%0.37SS..SBendtrans-70.2-18-179.729.1-35.9000112.7Y12Y12-P47 VanDerWaalsContact CB-CG 3.49Å; Y12-P47 HydrophobicContact CD2-CG 3.91Å; Y12-P47 HydrophobicContact CG-CG 3.81Å
48R87.6Confident89.5Confident86 Ų8679.1 Ų79.133%0.32538%0.377SS..SBendtrans-142.5155.9-179-66.6-173.3-78.8161.2-9.7110.2Y12 Y15 P16 L46Y12-R48 HydrophobicContact CD1-CB 4.08Å; Y12-R48 VanDerWaalsContact CD1-NE 3.34Å; Y12-R48 HydrophobicContact CE1-CB 3.74Å; Y12-R48 PolarHBondContact O-NH2 3.42Å; Y15-R48 PolarHBondContact O-NH2 3.47Å; P16-R48 PolarHBondContact O-NH1 3.2Å; P16-R48 PolarHBondContact O-NH2 3.32Å; L46-R48 WeakPolarHBondContact CB-O 3.45Å; L46-R48 PolarHBondContact O-N 3.16Å
49P86.1Confident89.8Confident122 Ų12280 Ų8079%0.79239%0.387SS*.  trans-57.6146.7174.3-2434.2000112.5Y12Y12-P49 PolarHBondContact OH-O 3.44Å
50V92.5Very high90.1Very high14 Ų1477.5 Ų77.59%0.08538%0.381CS..  trans-113.2142.5171.967.10000108.9W5 F20 V22 L35 L46 F52W5-V50 HydrophobicContact CZ3-CG1 4.37Å; F20-V50 HydrophobicContact CB-CG2 3.83Å; F20-V50 WeakPolarHBondContact O-CG2 3.39Å; V22-V50 HydrophobicContact CB-CG2 4.48Å; V22-V50 HydrophobicContact CG2-CG2 3.66Å; L35-V50 HydrophobicContact CD1-CG1 4.27Å; L35-V50 HydrophobicContact CD2-CG1 3.96Å; L35-V50 HydrophobicContact CG-CG1 4.49Å; L46-V50 HydrophobicContact CD1-CB 3.97Å; L46-V50 HydrophobicContact CD1-CG1 3.77Å; V50-F52 HydrophobicContact CG1-CD2 4.13Å; V50-F52 HydrophobicContact CG1-CE2 3.42Å; V50-F52 VanDerWaalsContact CG1-CE2 3.42Å; V50-F52 HydrophobicContact CG1-CZ 3.74Å
51T94.9Very high90.6Very high85 Ų8571.4 Ų71.452%0.52135%0.353SS..EExtended strand (participates in β ladder)trans-85.9133.8178.4-59.50000109.7F20 V21 V22F20-T51 PolarHBondContact O-N 3.25Å; V21-T51 CarbonylContact C-O 3.43Å; V21-T51 VanDerWaalsContact CA-O 3.32Å; V21-T51 WeakPolarHBondContact CA-O 3.38Å; V22-T51 PolarHBondContact N-O 3.44Å
52F95.6Very high91.1Very high34 Ų3467.3 Ų67.315%0.14934%0.342CS..EExtended strand (participates in β ladder)trans-106.5136.1177.2-73.6-89.1000111.7W5 V22 T24 G31 V34 L35 V50 F54W5-F52 AromaticContact CH2-CE1 3.73Å; W5-F52 HydrophobicContact CH2-CE1 3.73Å; W5-F52 AromaticContact CH2-CZ 3.67Å; W5-F52 HydrophobicContact CH2-CZ 3.67Å; W5-F52 HydrophobicContact CZ2-CE1 4.47Å; W5-F52 HydrophobicContact CZ3-CZ 4.35Å; V22-F52 HydrophobicContact CB-CD1 3.97Å; V22-F52 HydrophobicContact CB-CE1 4.05Å; V22-F52 HydrophobicContact CG1-CD1 4.01Å; V22-F52 HydrophobicContact CG1-CE1 3.92Å; V22-F52 WeakPolarHBondContact O-CA 3.34Å; T24-F52 HydrophobicContact CG2-CD1 4.18Å; G31-F52 VanDerWaalsContact CA-CD2 3.44Å; G31-F52 VanDerWaalsContact CA-CE2 3.42Å; V34-F52 HydrophobicContact CB-CE1 4.1Å; V34-F52 HydrophobicContact CB-CZ 4.09Å; V34-F52 HydrophobicContact CG1-CE1 3.79Å; V34-F52 HydrophobicContact CG1-CZ 3.99Å; L35-F52 HydrophobicContact CD1-CE2 4.25Å; L35-F52 HydrophobicContact CD2-CE2 4.47Å; L35-F52 HydrophobicContact CD2-CZ 4.14Å; L35-F52 HydrophobicContact CG-CE2 4.08Å; L35-F52 HydrophobicContact CG-CZ 4.03Å; V50-F52 HydrophobicContact CG1-CD2 4.13Å; V50-F52 HydrophobicContact CG1-CE2 3.42Å; V50-F52 VanDerWaalsContact CG1-CE2 3.42Å; V50-F52 HydrophobicContact CG1-CZ 3.74Å; F52-F54 HydrophobicContact CB-CD2 4.27Å; F52-F54 HydrophobicContact CB-CE2 3.63Å; F52-F54 HydrophobicContact CB-CZ 4.13Å; F52-F54 HydrophobicContact CG-CE2 4.48Å
53I96.1Very high91.3Very high25 Ų2567.7 Ų67.713%0.12835%0.353CS..EExtended strand (participates in β ladder)trans-119.1112.1171.9-63.5179.9000108.3V21 V22 Y23 T24 L55 A88 F89V21-I53 HydrophobicContact CG1-CD1 3.45Å; V21-I53 VanDerWaalsContact CG1-CD1 3.45Å; V21-I53 HydrophobicContact CG1-CG1 3.79Å; V22-I53 PolarHBondContact O-N 3.42Å; Y23-I53 WeakPolarHBondContact CA-O 3.46Å; Y23-I53 HydrophobicContact CD1-CB 3.69Å; Y23-I53 HydrophobicContact CD1-CD1 4.11Å; Y23-I53 HydrophobicContact CD1-CG1 4.44Å; Y23-I53 HydrophobicContact CD1-CG2 3.74Å; Y23-I53 HydrophobicContact CE1-CB 4.05Å; Y23-I53 HydrophobicContact CE1-CD1 3.56Å; Y23-I53 HydrophobicContact CE1-CG1 4.36Å; Y23-I53 HydrophobicContact CE1-CG2 4.04Å; T24-I53 PolarHBondContact N-O 3.36Å; I53-L55 HydrophobicContact CG2-CD2 4.11Å; I53-A88 HydrophobicContact CG2-CB 3.7Å; I53-F89 HydrophobicContact CD1-CB 3.19Å; I53-F89 HydrophobicContact CD1-CG 3.98Å
54F96.1Very high91.6Very high83 Ų8366.2 Ų66.236%0.36436%0.358SS..EExtended strand (participates in β ladder)trans-88.5111.9-178.1-68.6-89.9000110.7T24 D26 V29 F52T24-F54 HydrophobicContact CG2-CD1 3.53Å; T24-F54 HydrophobicContact CG2-CE1 3.53Å; T24-F54 HydrophobicContact CG2-CG 4.14Å; T24-F54 HydrophobicContact CG2-CZ 4.16Å; T24-F54 CarbonylContact O-C 3.56Å; T24-F54 WeakPolarHBondContact O-CA 3.43Å; D26-F54 WeakPolarHBondContact O-CD1 3.48Å; V29-F54 HydrophobicContact CG2-CE1 4.17Å; V29-F54 VanDerWaalsContact O-CE1 3.27Å; V29-F54 WeakPolarHBondContact O-CE1 3.35Å; V29-F54 WeakPolarHBondContact O-CZ 3.29Å; F52-F54 HydrophobicContact CB-CD2 4.27Å; F52-F54 HydrophobicContact CB-CE2 3.63Å; F52-F54 HydrophobicContact CB-CZ 4.13Å; F52-F54 HydrophobicContact CG-CE2 4.48Å
55L95.9Very high91.8Very high20 Ų2068.5 Ų68.511%0.10538%0.375CS..  trans-83.6136.4178.3-52.9-178.4000110.4Y23 T24 I53 L81 E84 A85Y23-L55 HydrophobicContact CD1-CD2 4.32Å; T24-L55 PolarHBondContact O-N 3.49Å; I53-L55 HydrophobicContact CG2-CD2 4.11Å; L55-L81 HydrophobicContact CB-CD2 4.1Å; L55-L81 HydrophobicContact CD1-CD2 4.13Å; L55-E84 HydrophobicContact CD2-CG 4.1Å; L55-A85 HydrophobicContact CD1-CB 4.14Å; L55-A85 HydrophobicContact CD2-CB 3.88Å
56R95Very high92Very high198 Ų19866 Ų6675%0.74736%0.355SS*.SBendtrans-85.3-30.3-173.8-60.3177.9179.6179.60.6112.1R58 E84R56-R58 PolarHBondContact O-N 3.05Å; R56-E84 WeakPolarHBondContact CB-OE1 3.49Å; R56-E84 PolarHBondContact N-OE1 3.29Å
57H95.1Very high92Very high84 Ų8469.9 Ų69.939%0.38938%0.382SS..  trans-100.729.8-166.6-55.288.5000114.4G59 L60 F80 L81 E84H57-G59 PolarHBondContact O-N 3.17Å; H57-L60 HydrophobicContact CB-CD1 3.7Å; H57-L60 HydrophobicContact CB-CG 4.07Å; H57-L60 WeakPolarHBondContact O-CB 3.45Å; H57-L60 WeakPolarHBondContact O-CG 3.15Å; H57-L60 PolarHBondContact O-N 3.1Å; H57-F80 HydrophobicContact CB-CD1 4.32Å; H57-F80 HydrophobicContact CB-CE1 4.1Å; H57-F80 AromaticContact CG-CE1 3.79Å; H57-F80 AromaticContact ND1-CE1 3.82Å; H57-L81 HydrophobicContact CB-CD2 3.99Å; H57-E84 WeakPolarHBondContact CB-OE2 3.47Å; H57-E84 IonicContact CE1-OE1 2.94Å; H57-E84 IonicContact CG-OE2 3.46Å; H57-E84 PolarHBondContact N-OE2 3.03Å; H57-E84 VanDerWaalsContact ND1-CD 3.27Å; H57-E84 IonicContact ND1-OE1 3.81Å; H57-E84 PolarHBondContact ND1-OE1 2.9Å; H57-E84 IonicContact ND1-OE2 3.03Å; H57-E84 PolarHBondContact ND1-OE2 3.33Å
58R92.8Very high92Very high92 Ų9273 Ų7335%0.34739%0.389SS..G310 helixtrans-50.4-32.7176.7179178.7177.5163.83.3113.5G25 D26 R56 L60 V61G25-R58 WeakPolarHBondContact O-CD 3.26Å; D26-R58 IonicContact OD1-CZ 3.61Å; D26-R58 IonicContact OD1-NH1 3.15Å; D26-R58 PolarHBondContact OD1-NH1 2.99Å; R56-R58 PolarHBondContact O-N 3.05Å; R58-L60 PolarHBondContact O-N 3.5Å; R58-V61 HydrophobicContact CG-CG2 4.4Å; R58-V61 WeakPolarHBondContact O-CG2 3.44Å; R58-V61 PolarHBondContact O-N 3.46Å
59G92.6Very high92.2Very high23 Ų2374.7 Ų74.724%0.23740%0.399CS..G310 helixtrans-56.3-21.7177.600000114.2H57 V61 E62 S65H57-G59 PolarHBondContact O-N 3.17Å; G59-V61 PolarHBondContact O-N 3.2Å; G59-E62 PolarHBondContact O-N 3.49Å; G59-S65 PolarHBondContact O-OG 3.09Å
60L94.3Very high92.5Very high57 Ų5771 Ų7130%0.29837%0.374SS..G310 helixtrans-70-15.5176.5-63.5178.7000113.8H57 R58 Y66 G77 F80H57-L60 HydrophobicContact CB-CD1 3.7Å; H57-L60 HydrophobicContact CB-CG 4.07Å; H57-L60 WeakPolarHBondContact O-CB 3.45Å; H57-L60 WeakPolarHBondContact O-CG 3.15Å; H57-L60 PolarHBondContact O-N 3.1Å; R58-L60 PolarHBondContact O-N 3.5Å; L60-Y66 WeakPolarHBondContact O-CE2 3.4Å; L60-Y66 VanDerWaalsContact O-CZ 3.31Å; L60-Y66 PolarHBondContact O-OH 3.25Å; L60-G77 WeakPolarHBondContact O-CA 3.37Å; L60-F80 HydrophobicContact CD1-CB 4.07Å; L60-F80 HydrophobicContact CD1-CD1 3.32Å; L60-F80 HydrophobicContact CD1-CE1 3.94Å; L60-F80 HydrophobicContact CD1-CG 3.83Å
61V93.5Very high92.5Very high6 Ų671.7 Ų71.74%0.03638%0.377CS..G310 helixtrans-107.76.4174.9-66.50000112.6R58 G59 Q74 L81 Y100R58-V61 HydrophobicContact CG-CG2 4.4Å; R58-V61 WeakPolarHBondContact O-CG2 3.44Å; R58-V61 PolarHBondContact O-N 3.46Å; G59-V61 PolarHBondContact O-N 3.2Å; V61-Q74 PolarHBondContact O-NE2 2.99Å; V61-L81 HydrophobicContact CB-CD1 4.22Å; V61-L81 HydrophobicContact CG1-CD1 3.56Å; V61-L81 HydrophobicContact CG2-CD1 3.64Å; V61-Y100 HydrophobicContact CB-CE1 3.86Å; V61-Y100 HydrophobicContact CG1-CD1 4.42Å; V61-Y100 HydrophobicContact CG1-CE1 4.01Å; V61-Y100 HydrophobicContact CG2-CE1 4.25Å; V61-Y100 HydrophobicContact CG2-CE2 4.39Å; V61-Y100 VanDerWaalsContact CG2-OH 3.31Å; V61-Y100 WeakPolarHBondContact CG2-OH 3.28Å
62E91.5Very high92.5Very high94 Ų9470.4 Ų70.444%0.43937%0.367SS..  trans-82.2133.2175.6-67.7176.3-172.600110.4G59 A64 S65 Y66G59-E62 PolarHBondContact O-N 3.49Å; E62-A64 PolarHBondContact O-N 2.98Å; E62-S65 WeakPolarHBondContact O-CB 3.39Å; E62-S65 PolarHBondContact O-N 3.1Å; E62-S65 VanDerWaalsContact O-N 3.13Å; E62-Y66 WeakPolarHBondContact O-CD2 3.28Å
63A87.5Confident92.6Very high53 Ų5369.3 Ų69.344%0.43837%0.365SS..G310 helixtrans-60.9-31.4-177.500000112.7S65 Y66 T70A63-S65 PolarHBondContact O-N 3.31Å; A63-Y66 CarbonylContact O-C 3.59Å; A63-Y66 PolarHBondContact O-N 3.33Å; A63-T70 HydrophobicContact CB-CG2 3.81Å
64A88.6Confident92.6Very high95 Ų9570.5 Ų70.579%0.78537%0.37SS*.G310 helixtrans-59.8-25.3178.500000113.3E62 Y66E62-A64 PolarHBondContact O-N 2.98Å; A64-Y66 PolarHBondContact O-N 3.27Å
65S89.6Confident92.6Very high60 Ų6066.9 Ų66.942%0.4236%0.355SS..G310 helixtrans-71.9-13.9176.7-57.90000113.1G59 E62 A63G59-S65 PolarHBondContact O-OG 3.09Å; E62-S65 WeakPolarHBondContact O-CB 3.39Å; E62-S65 PolarHBondContact O-N 3.1Å; E62-S65 VanDerWaalsContact O-N 3.13Å; A63-S65 PolarHBondContact O-N 3.31Å
66Y92.3Very high92.7Very high48 Ų4870.7 Ų70.719%0.18838%0.375CS..  trans-134.984.1-172.2-50.7-76.4000111.9L60 E62 A63 A64 H68 T70 G73 Q74L60-Y66 WeakPolarHBondContact O-CE2 3.4Å; L60-Y66 VanDerWaalsContact O-CZ 3.31Å; L60-Y66 PolarHBondContact O-OH 3.25Å; E62-Y66 WeakPolarHBondContact O-CD2 3.28Å; A63-Y66 CarbonylContact O-C 3.59Å; A63-Y66 PolarHBondContact O-N 3.33Å; A64-Y66 PolarHBondContact O-N 3.27Å; Y66-H68 PolarHBondContact O-N 3.36Å; Y66-T70 PolarHBondContact O-OG1 2.96Å; Y66-G73 VanDerWaalsContact CE2-C 3.5Å; Y66-G73 VanDerWaalsContact CZ-C 3.41Å; Y66-G73 VanDerWaalsContact CZ-O 3.28Å; Y66-G73 PolarHBondContact OH-O 3.46Å; Y66-Q74 HydrophobicContact CD2-CG 3.94Å; Y66-Q74 HydrophobicContact CE2-CG 4.12Å
67P87.4Confident92.8Very high108 Ų10861.5 Ų61.570%0.70134%0.341SS*.SBendtrans-65.6-20.417826.3-34.7000113.3
68H88Confident92.9Very high147 Ų14757.6 Ų57.668%0.68132%0.324SS*.SBendtrans-131.6149.2175.7-56.6-43.7000109.9Y66 T70Y66-H68 PolarHBondContact O-N 3.36Å; H68-T70 PolarHBondContact O-N 2.95Å
69F90.2Very high93.2Very high120 Ų12056.2 Ų56.253%0.52632%0.322SS..SBendtrans51.339.4-178.7-56.3-73000113.4L71 L72 G73 Y158F69-L71 VanDerWaalsContact C-N 3.28Å; F69-L71 PolarHBondContact O-N 3.12Å; F69-L71 VanDerWaalsContact O-N 3.17Å; F69-L72 HydrophobicContact CB-CB 4.48Å; F69-L72 PolarHBondContact O-N 2.91Å; F69-G73 PolarHBondContact O-N 3.21Å; F69-Y158 HydrophobicContact CB-CE2 4.18Å; F69-Y158 HydrophobicContact CD1-CD1 4.3Å; F69-Y158 AromaticContact CD1-CD2 3.53Å; F69-Y158 HydrophobicContact CD1-CD2 3.53Å; F69-Y158 HydrophobicContact CD1-CE1 4.26Å; F69-Y158 AromaticContact CD1-CE2 3.45Å; F69-Y158 HydrophobicContact CD1-CE2 3.45Å; F69-Y158 VanDerWaalsContact CD1-CE2 3.45Å; F69-Y158 AromaticContact CD1-CG 3.96Å; F69-Y158 HydrophobicContact CD1-CG 3.96Å; F69-Y158 AromaticContact CD1-CZ 3.83Å; F69-Y158 AromaticContact CE1-CD2 3.88Å; F69-Y158 HydrophobicContact CE1-CD2 3.88Å; F69-Y158 HydrophobicContact CE1-CE2 4.27Å; F69-Y158 HydrophobicContact CE1-CG 4.07Å; F69-Y158 HydrophobicContact CG-CE2 4.25Å; F69-Y158 PolarHBondContact O-OH 3.32Å
70T92.3Very high93.4Very high45 Ų4559.8 Ų59.828%0.27633%0.331SS..Hα-helixtrans-51.2-43.7-172.6-45.70000113.2A63 Y66 H68 L72 G73 Q74A63-T70 HydrophobicContact CB-CG2 3.81Å; Y66-T70 PolarHBondContact O-OG1 2.96Å; H68-T70 PolarHBondContact O-N 2.95Å; T70-L72 PolarHBondContact O-N 3.01Å; T70-G73 PolarHBondContact O-N 3.39Å; T70-Q74 HydrophobicContact CG2-CG 4.31Å; T70-Q74 WeakPolarHBondContact O-CB 3.38Å; T70-Q74 WeakPolarHBondContact O-CG 3.46Å; T70-Q74 PolarHBondContact O-N 2.94Å
71L93.5Very high93.5Very high28 Ų2857.8 Ų57.815%0.14732%0.321CS..Hα-helixtrans-59.2-49.9178.6-57.3175.2000111.6F69 S75 T123 Y158 Y159 F162F69-L71 VanDerWaalsContact C-N 3.28Å; F69-L71 PolarHBondContact O-N 3.12Å; F69-L71 VanDerWaalsContact O-N 3.17Å; L71-S75 WeakPolarHBondContact O-CB 3.44Å; L71-S75 PolarHBondContact O-N 3.45Å; L71-S75 PolarHBondContact O-OG 2.93Å; L71-T123 HydrophobicContact CD2-CG2 4.27Å; L71-Y158 WeakPolarHBondContact CB-OH 3.24Å; L71-Y159 HydrophobicContact CD1-CE1 3.92Å; L71-F162 HydrophobicContact CB-CD1 4.34Å; L71-F162 HydrophobicContact CB-CD2 4.32Å; L71-F162 HydrophobicContact CB-CE1 3.9Å; L71-F162 HydrophobicContact CB-CE2 3.88Å; L71-F162 HydrophobicContact CB-CZ 3.65Å; L71-F162 HydrophobicContact CD1-CD1 4.24Å; L71-F162 HydrophobicContact CD1-CE1 4.17Å
72L95.8Very high93.7Very high59 Ų5957.6 Ų57.631%0.30932%0.32SS..Hα-helixtrans-64.6-43178.1179.163.4000111.7F69 T70 S75 L76 Y158 F162F69-L72 HydrophobicContact CB-CB 4.48Å; F69-L72 PolarHBondContact O-N 2.91Å; T70-L72 PolarHBondContact O-N 3.01Å; L72-S75 PolarHBondContact O-N 2.87Å; L72-L76 HydrophobicContact CD1-CD1 4.29Å; L72-L76 HydrophobicContact CD1-CG 4.24Å; L72-L76 HydrophobicContact CG-CD1 4.15Å; L72-L76 HydrophobicContact CG-CG 4.49Å; L72-L76 WeakPolarHBondContact O-CG 3.08Å; L72-L76 PolarHBondContact O-N 3.46Å; L72-Y158 HydrophobicContact CB-CE2 3.84Å; L72-Y158 WeakPolarHBondContact CB-OH 3.14Å; L72-Y158 HydrophobicContact CD2-CE2 4.28Å; L72-Y158 PolarHBondContact N-OH 3.17Å; L72-F162 HydrophobicContact CB-CD2 4.34Å
73G96.5Very high94Very high10 Ų1059 Ų5910%0.10332%0.321CS..Hα-helixtrans-58.1-51.3176.800000112.3Y66 F69 T70 S75 L76 G77Y66-G73 VanDerWaalsContact CE2-C 3.5Å; Y66-G73 VanDerWaalsContact CZ-C 3.41Å; Y66-G73 VanDerWaalsContact CZ-O 3.28Å; Y66-G73 PolarHBondContact OH-O 3.46Å; F69-G73 PolarHBondContact O-N 3.21Å; T70-G73 PolarHBondContact O-N 3.39Å; G73-S75 VanDerWaalsContact C-N 3.32Å; G73-S75 PolarHBondContact O-N 2.96Å; G73-L76 PolarHBondContact O-N 3.06Å; G73-G77 PolarHBondContact O-N 2.79Å
74Q96Very high94.5Very high51 Ų5157.8 Ų57.824%0.23831%0.306CS..Hα-helixtrans-62.9-37.1176.5-70.3-179.4-58.400112.2V61 Y66 T70 G77 S78V61-Q74 PolarHBondContact O-NE2 2.99Å; Y66-Q74 HydrophobicContact CD2-CG 3.94Å; Y66-Q74 HydrophobicContact CE2-CG 4.12Å; T70-Q74 HydrophobicContact CG2-CG 4.31Å; T70-Q74 WeakPolarHBondContact O-CB 3.38Å; T70-Q74 WeakPolarHBondContact O-CG 3.46Å; T70-Q74 PolarHBondContact O-N 2.94Å; Q74-G77 PolarHBondContact O-N 2.78Å; Q74-S78 WeakPolarHBondContact O-CB 2.92Å; Q74-S78 PolarHBondContact O-N 3.44Å
75S97.3Very high94.9Very high6 Ų653.4 Ų53.44%0.04227%0.271CS..Hα-helixtrans-65.9-40.2175.3-660000113L71 L72 G73 S78 M79 F102 F162L71-S75 WeakPolarHBondContact O-CB 3.44Å; L71-S75 PolarHBondContact O-N 3.45Å; L71-S75 PolarHBondContact O-OG 2.93Å; L72-S75 PolarHBondContact O-N 2.87Å; G73-S75 VanDerWaalsContact C-N 3.32Å; G73-S75 PolarHBondContact O-N 2.96Å; S75-S78 PolarHBondContact O-N 3.33Å; S75-S78 PolarHBondContact O-OG 2.77Å; S75-M79 WeakPolarHBondContact O-CG 3.46Å; S75-M79 PolarHBondContact O-N 2.99Å; S75-M79 VanDerWaalsContact O-N 3.08Å; S75-F102 VanDerWaalsContact CB-CD2 3.46Å; S75-F102 VanDerWaalsContact OG-CD2 3.27Å; S75-F102 WeakPolarHBondContact OG-CD2 3.15Å; S75-F102 WeakPolarHBondContact OG-CE2 3.42Å; S75-F162 WeakPolarHBondContact OG-CE2 3.4Å; S75-F162 WeakPolarHBondContact OG-CZ 3.46Å
76L97.4Very high95.3Very high101 Ų10151 Ų5153%0.52925%0.253SS..Hα-helixtrans-68.6-40.7174.1-68.7173.2000111.3L72 G73 S78 M79 F80L72-L76 HydrophobicContact CD1-CD1 4.29Å; L72-L76 HydrophobicContact CD1-CG 4.24Å; L72-L76 HydrophobicContact CG-CD1 4.15Å; L72-L76 HydrophobicContact CG-CG 4.49Å; L72-L76 WeakPolarHBondContact O-CG 3.08Å; L72-L76 PolarHBondContact O-N 3.46Å; G73-L76 PolarHBondContact O-N 3.06Å; L76-S78 VanDerWaalsContact C-N 3.29Å; L76-S78 PolarHBondContact O-N 3.41Å; L76-M79 HydrophobicContact CD2-SD 4.16Å; L76-M79 WeakPolarHBondContact O-CB 3.24Å; L76-M79 PolarHBondContact O-N 2.84Å; L76-F80 PolarHBondContact O-N 2.88Å; L76-F80 VanDerWaalsContact O-N 3.13Å
77G97.1Very high95.5Very high4 Ų452.9 Ų52.94%0.04127%0.27CS..Hα-helixtrans-61.4-37.5173.700000112.7L60 G73 Q74 F80 L81L60-G77 WeakPolarHBondContact O-CA 3.37Å; G73-G77 PolarHBondContact O-N 2.79Å; Q74-G77 PolarHBondContact O-N 2.78Å; G77-F80 PolarHBondContact O-N 2.86Å; G77-L81 PolarHBondContact O-N 3.31Å
78S97.2Very high96Very high2 Ų250.7 Ų50.71%0.01426%0.26CS..Hα-helixtrans-71.3-3317676.20000112.3Q74 S75 L76 F80 L81 G82 T103Q74-S78 WeakPolarHBondContact O-CB 2.92Å; Q74-S78 PolarHBondContact O-N 3.44Å; S75-S78 PolarHBondContact O-N 3.33Å; S75-S78 PolarHBondContact O-OG 2.77Å; L76-S78 VanDerWaalsContact C-N 3.29Å; L76-S78 PolarHBondContact O-N 3.41Å; S78-F80 VanDerWaalsContact C-N 3.33Å; S78-F80 PolarHBondContact O-N 3.35Å; S78-L81 PolarHBondContact O-N 3.5Å; S78-G82 PolarHBondContact O-N 2.67Å; S78-T103 VanDerWaalsContact O-CG2 3.29Å; S78-T103 WeakPolarHBondContact O-CG2 3.33Å
79M97.9Very high96.5Very high64 Ų6448 Ų4832%0.31525%0.247SC..Hα-helixtrans-60.4-43.3170-67.8173.969.400111.6S75 L76 G82 W83 F102 I106S75-M79 WeakPolarHBondContact O-CG 3.46Å; S75-M79 PolarHBondContact O-N 2.99Å; S75-M79 VanDerWaalsContact O-N 3.08Å; L76-M79 HydrophobicContact CD2-SD 4.16Å; L76-M79 WeakPolarHBondContact O-CB 3.24Å; L76-M79 PolarHBondContact O-N 2.84Å; M79-G82 PolarHBondContact O-N 3.41Å; M79-W83 PolarHBondContact O-N 2.96Å; M79-F102 HydrophobicContact CG-CB 3.75Å; M79-F102 HydrophobicContact SD-CB 4.47Å; M79-F102 HydrophobicContact SD-CD1 4.19Å; M79-I106 HydrophobicContact CB-CD1 4.36Å; M79-I106 HydrophobicContact CB-CG1 4.3Å; M79-I106 HydrophobicContact CE-CD1 3.97Å; M79-I106 HydrophobicContact CG-CG1 4.44Å
80F97.7Very high96.8Very high98 Ų9846.1 Ų46.143%0.4325%0.245SC..Hα-helixtrans-64.5-43.7176-175.5-85.1000111.8H57 L60 L76 G77 S78 G82 W83 E84H57-F80 HydrophobicContact CB-CD1 4.32Å; H57-F80 HydrophobicContact CB-CE1 4.1Å; H57-F80 AromaticContact CG-CE1 3.79Å; H57-F80 AromaticContact ND1-CE1 3.82Å; L60-F80 HydrophobicContact CD1-CB 4.07Å; L60-F80 HydrophobicContact CD1-CD1 3.32Å; L60-F80 HydrophobicContact CD1-CE1 3.94Å; L60-F80 HydrophobicContact CD1-CG 3.83Å; L76-F80 PolarHBondContact O-N 2.88Å; L76-F80 VanDerWaalsContact O-N 3.13Å; G77-F80 PolarHBondContact O-N 2.86Å; S78-F80 VanDerWaalsContact C-N 3.33Å; S78-F80 PolarHBondContact O-N 3.35Å; F80-G82 VanDerWaalsContact C-N 3.31Å; F80-G82 PolarHBondContact O-N 2.79Å; F80-W83 WeakPolarHBondContact O-CB 3.5Å; F80-W83 PolarHBondContact O-N 3.42Å; F80-E84 PolarHBondContact O-N 3.31Å
81L96.3Very high97Very high14 Ų1444.8 Ų44.87%0.07324%0.237CC..Hα-helixtrans-62.4-38.7174-82.4178.1000112.5L55 H57 V61 G77 S78 W83 E84 A85L55-L81 HydrophobicContact CB-CD2 4.1Å; L55-L81 HydrophobicContact CD1-CD2 4.13Å; H57-L81 HydrophobicContact CB-CD2 3.99Å; V61-L81 HydrophobicContact CB-CD1 4.22Å; V61-L81 HydrophobicContact CG1-CD1 3.56Å; V61-L81 HydrophobicContact CG2-CD1 3.64Å; G77-L81 PolarHBondContact O-N 3.31Å; S78-L81 PolarHBondContact O-N 3.5Å; L81-W83 VanDerWaalsContact C-N 3.29Å; L81-W83 PolarHBondContact O-N 2.88Å; L81-E84 WeakPolarHBondContact CD2-OE2 3.27Å; L81-E84 PolarHBondContact O-N 3.41Å; L81-A85 VanDerWaalsContact O-CB 3.32Å; L81-A85 WeakPolarHBondContact O-CB 3.39Å; L81-A85 PolarHBondContact O-N 2.88Å
82G97.4Very high97.2Very high2 Ų249.6 Ų49.62%0.02126%0.263CS..Hα-helixtrans-61.7-39.817400000111.5S78 M79 F80 L86 F107S78-G82 PolarHBondContact O-N 2.67Å; M79-G82 PolarHBondContact O-N 3.41Å; F80-G82 VanDerWaalsContact C-N 3.31Å; F80-G82 PolarHBondContact O-N 2.79Å; G82-L86 VanDerWaalsContact O-CB 3.22Å; G82-L86 WeakPolarHBondContact O-CB 3.38Å; G82-L86 PolarHBondContact O-N 3.49Å; G82-F107 WeakPolarHBondContact O-CE2 3.46Å
83W97.9Very high97.2Very high124 Ų12448.5 Ų48.547%0.4726%0.257SS..Hα-helixtrans-66.3-45.4172.9174.3-100.9000112.4M79 F80 L81 A85 L86 T87 I106 L110M79-W83 PolarHBondContact O-N 2.96Å; F80-W83 WeakPolarHBondContact O-CB 3.5Å; F80-W83 PolarHBondContact O-N 3.42Å; L81-W83 VanDerWaalsContact C-N 3.29Å; L81-W83 PolarHBondContact O-N 2.88Å; W83-A85 VanDerWaalsContact C-N 3.33Å; W83-A85 PolarHBondContact O-N 3.23Å; W83-L86 HydrophobicContact CE3-CD2 4.47Å; W83-L86 PolarHBondContact O-N 3.16Å; W83-T87 HydrophobicContact CD2-CG2 4.01Å; W83-T87 HydrophobicContact CE3-CG2 4.46Å; W83-T87 HydrophobicContact CH2-CG2 4.18Å; W83-T87 HydrophobicContact CZ2-CG2 3.68Å; W83-T87 WeakPolarHBondContact O-CG2 3.27Å; W83-T87 PolarHBondContact O-N 3.41Å; W83-T87 PolarHBondContact O-OG1 2.85Å; W83-T87 VanDerWaalsContact O-OG1 3.1Å; W83-I106 HydrophobicContact CB-CG2 4.38Å; W83-L110 HydrophobicContact CE3-CD1 3.76Å; W83-L110 HydrophobicContact CZ3-CB 4.42Å; W83-L110 HydrophobicContact CZ3-CD1 3.74Å
84E97.8Very high97.3Very high27 Ų2749.3 Ų49.313%0.12626%0.258CS..Hα-helixtrans-56.1-47.9174.2-178.5-180-167.500110.9L55 R56 H57 F80 L81 T87 A88L55-E84 HydrophobicContact CD2-CG 4.1Å; R56-E84 WeakPolarHBondContact CB-OE1 3.49Å; R56-E84 PolarHBondContact N-OE1 3.29Å; H57-E84 WeakPolarHBondContact CB-OE2 3.47Å; H57-E84 IonicContact CE1-OE1 2.94Å; H57-E84 IonicContact CG-OE2 3.46Å; H57-E84 PolarHBondContact N-OE2 3.03Å; H57-E84 VanDerWaalsContact ND1-CD 3.27Å; H57-E84 IonicContact ND1-OE1 3.81Å; H57-E84 PolarHBondContact ND1-OE1 2.9Å; H57-E84 IonicContact ND1-OE2 3.03Å; H57-E84 PolarHBondContact ND1-OE2 3.33Å; F80-E84 PolarHBondContact O-N 3.31Å; L81-E84 WeakPolarHBondContact CD2-OE2 3.27Å; L81-E84 PolarHBondContact O-N 3.41Å; E84-T87 PolarHBondContact O-N 2.98Å; E84-T87 PolarHBondContact O-OG1 3.16Å; E84-A88 PolarHBondContact O-N 2.99Å; E84-A88 VanDerWaalsContact O-N 3.16Å
85A97.6Very high97.3Very high4 Ų449.6 Ų49.63%0.03326%0.263CS..Hα-helixtrans-60.8-48.7177.100000111.9Y23 L55 L81 W83 T87 A88 F89 F107Y23-A85 HydrophobicContact CD1-CB 3.55Å; Y23-A85 HydrophobicContact CE1-CB 3.73Å; Y23-A85 WeakPolarHBondContact CE1-O 3.39Å; Y23-A85 HydrophobicContact CG-CB 3.98Å; L55-A85 HydrophobicContact CD1-CB 4.14Å; L55-A85 HydrophobicContact CD2-CB 3.88Å; L81-A85 VanDerWaalsContact O-CB 3.32Å; L81-A85 WeakPolarHBondContact O-CB 3.39Å; L81-A85 PolarHBondContact O-N 2.88Å; W83-A85 VanDerWaalsContact C-N 3.33Å; W83-A85 PolarHBondContact O-N 3.23Å; A85-T87 VanDerWaalsContact C-N 3.33Å; A85-T87 PolarHBondContact O-N 3.18Å; A85-A88 WeakPolarHBondContact O-CB 3Å; A85-A88 PolarHBondContact O-N 3.34Å; A85-A88 VanDerWaalsContact O-N 3.12Å; A85-F89 PolarHBondContact O-N 2.94Å; A85-F107 HydrophobicContact CB-CE2 4.34Å; A85-F107 HydrophobicContact CB-CZ 3.79Å
86L97.4Very high97.2Very high8 Ų849.5 Ų49.54%0.04226%0.261CS..Hα-helixtrans-61.6-39.2-179.7-175.869.5000112.6G82 W83 A88 F89 V90 I106 F107 L110G82-L86 VanDerWaalsContact O-CB 3.22Å; G82-L86 WeakPolarHBondContact O-CB 3.38Å; G82-L86 PolarHBondContact O-N 3.49Å; W83-L86 HydrophobicContact CE3-CD2 4.47Å; W83-L86 PolarHBondContact O-N 3.16Å; L86-A88 VanDerWaalsContact C-N 3.3Å; L86-A88 PolarHBondContact O-N 3.12Å; L86-F89 WeakPolarHBondContact CA-O 3.49Å; L86-F89 CarbonylContact O-C 3.54Å; L86-V90 HydrophobicContact CD1-CB 4.25Å; L86-V90 HydrophobicContact CD1-CG1 3.99Å; L86-V90 HydrophobicContact CD1-CG2 3.84Å; L86-V90 HydrophobicContact CG-CG2 4.27Å; L86-V90 VanDerWaalsContact O-CG2 3.26Å; L86-V90 WeakPolarHBondContact O-CG2 3.36Å; L86-I106 HydrophobicContact CD2-CG2 4.19Å; L86-F107 HydrophobicContact CB-CE1 4.12Å; L86-F107 HydrophobicContact CB-CZ 4.16Å; L86-F107 HydrophobicContact CD1-CD1 3.61Å; L86-F107 HydrophobicContact CD1-CE1 3.76Å; L86-F107 HydrophobicContact CD1-CG 4.33Å; L86-L110 HydrophobicContact CD2-CB 3.81Å
87T97.3Very high96.9Very high89 Ų8945.8 Ų45.855%0.54624%0.244SC..Hα-helixtrans-72.1-23.317756.40000113.4W83 E84 A85W83-T87 HydrophobicContact CD2-CG2 4.01Å; W83-T87 HydrophobicContact CE3-CG2 4.46Å; W83-T87 HydrophobicContact CH2-CG2 4.18Å; W83-T87 HydrophobicContact CZ2-CG2 3.68Å; W83-T87 WeakPolarHBondContact O-CG2 3.27Å; W83-T87 PolarHBondContact O-N 3.41Å; W83-T87 PolarHBondContact O-OG1 2.85Å; W83-T87 VanDerWaalsContact O-OG1 3.1Å; E84-T87 PolarHBondContact O-N 2.98Å; E84-T87 PolarHBondContact O-OG1 3.16Å; A85-T87 VanDerWaalsContact C-N 3.33Å; A85-T87 PolarHBondContact O-N 3.18Å
88A97.4Very high96.5Very high61 Ų6151.3 Ų51.350%0.50427%0.27SS..Hα-helixtrans-79.5-39.5173.700000112.1I53 E84 A85 L86I53-A88 HydrophobicContact CG2-CB 3.7Å; E84-A88 PolarHBondContact O-N 2.99Å; E84-A88 VanDerWaalsContact O-N 3.16Å; A85-A88 WeakPolarHBondContact O-CB 3Å; A85-A88 PolarHBondContact O-N 3.34Å; A85-A88 VanDerWaalsContact O-N 3.12Å; L86-A88 VanDerWaalsContact C-N 3.3Å; L86-A88 PolarHBondContact O-N 3.12Å
89F97.6Very high96.2Very high91 Ų9152.1 Ų52.140%0.39928%0.278SS..  trans-157.2137.7175.3-176.3-97.8000110.7V21 Y23 I53 A85 L86 P91V21-F89 HydrophobicContact CB-CD1 4.25Å; V21-F89 HydrophobicContact CB-CE1 4.2Å; V21-F89 HydrophobicContact CG1-CD1 4.16Å; V21-F89 HydrophobicContact CG2-CD1 3.93Å; V21-F89 HydrophobicContact CG2-CE1 3.53Å; V21-F89 HydrophobicContact CG2-CE2 4.47Å; V21-F89 HydrophobicContact CG2-CZ 3.83Å; Y23-F89 HydrophobicContact CE1-CB 4.38Å; Y23-F89 WeakPolarHBondContact OH-CD1 3.35Å; Y23-F89 PolarHBondContact OH-O 2.61Å; I53-F89 HydrophobicContact CD1-CB 3.19Å; I53-F89 HydrophobicContact CD1-CG 3.98Å; A85-F89 PolarHBondContact O-N 2.94Å; L86-F89 WeakPolarHBondContact CA-O 3.49Å; L86-F89 CarbonylContact O-C 3.54Å; F89-P91 HydrophobicContact CD1-CB 4.24Å; F89-P91 HydrophobicContact CE1-CB 3.93Å
90V97.4Very high96Very high80 Ų8052.4 Ų52.449%0.48528%0.277SS..  trans-106.6109.6175.9-177.30000108.1L86 G111L86-V90 HydrophobicContact CD1-CB 4.25Å; L86-V90 HydrophobicContact CD1-CG1 3.99Å; L86-V90 HydrophobicContact CD1-CG2 3.84Å; L86-V90 HydrophobicContact CG-CG2 4.27Å; L86-V90 VanDerWaalsContact O-CG2 3.26Å; L86-V90 WeakPolarHBondContact O-CG2 3.36Å; V90-G111 WeakPolarHBondContact CG1-O 3.34Å
91P96.8Very high96Very high17 Ų1747.8 Ų47.811%0.1126%0.256CS..  trans-86.3159.1178.435.3-35000111.9F89 L93 F107 C113F89-P91 HydrophobicContact CD1-CB 4.24Å; F89-P91 HydrophobicContact CE1-CB 3.93Å; P91-L93 WeakPolarHBondContact CB-O 3.41Å; P91-F107 HydrophobicContact CG-CD1 4.12Å; P91-F107 HydrophobicContact CG-CE1 4.05Å; P91-C113 PolarHBondContact O-SG 2.76Å
92D96.8Very high96.1Very high129 Ų12948 Ų4869%0.6926%0.257SS*.SBendtrans-69.7-36169.3-55.9-70000111.9K114 L442D92-K114 WeakPolarHBondContact O-CB 3.48Å; D92-K114 PolarHBondContact O-N 3.36Å; D92-L442 HydrophobicContact CB-CD1 4.46Å; D92-L442 HydrophobicContact CB-CD2 4.19Å
93L96.6Very high96.1Very high37 Ų3748.1 Ų48.119%0.19426%0.257CS..EExtended strand (participates in β ladder)trans-127.5122.4174.6176.258.4000110.5P91 V95 K114 A116 L438 M439 L442P91-L93 WeakPolarHBondContact CB-O 3.41Å; L93-V95 HydrophobicContact CD2-CG2 4.25Å; L93-V95 HydrophobicContact CG-CG2 4.03Å; L93-K114 WeakPolarHBondContact CA-O 3.4Å; L93-K114 HydrophobicContact CD1-CB 3.88Å; L93-A116 HydrophobicContact CD1-CB 4.24Å; L93-L438 HydrophobicContact CD1-CD2 3.48Å; L93-L438 VanDerWaalsContact CD1-CD2 3.48Å; L93-L438 HydrophobicContact CD1-CG 4.34Å; L93-L438 HydrophobicContact CD2-CD2 4.34Å; L93-M439 HydrophobicContact CD2-SD 3.52Å; L93-M439 VanDerWaalsContact CD2-SD 3.52Å; L93-L442 HydrophobicContact CB-CD1 3.68Å; L93-L442 HydrophobicContact CD2-CD1 4.48Å
94Y97.5Very high96.1Very high27 Ų2742.2 Ų42.211%0.10624%0.235CC..EExtended strand (participates in β ladder)trans-102.1131.9169.1173.9-98.4000110.5Y23 D96 T103 L104 F107 K114 V115 A116Y23-Y94 HydrophobicContact CD2-CE2 4.36Å; Y23-Y94 HydrophobicContact CE2-CD2 4.31Å; Y23-Y94 HydrophobicContact CE2-CE2 4.42Å; Y94-D96 HydrophobicContact CE1-CB 4.05Å; Y94-T103 VanDerWaalsContact CE1-OG1 3.28Å; Y94-T103 WeakPolarHBondContact CE1-OG1 3.49Å; Y94-T103 PolarHBondContact OH-OG1 2.82Å; Y94-L104 HydrophobicContact CD1-CD2 4.27Å; Y94-L104 HydrophobicContact CE1-CD2 4.18Å; Y94-F107 HydrophobicContact CD1-CB 4.01Å; Y94-F107 HydrophobicContact CD1-CD1 4.45Å; Y94-F107 AromaticContact CD1-CD2 3.83Å; Y94-F107 HydrophobicContact CD1-CD2 3.83Å; Y94-F107 HydrophobicContact CD1-CE2 4.44Å; Y94-F107 AromaticContact CD1-CG 3.83Å; Y94-F107 HydrophobicContact CD1-CG 3.83Å; Y94-F107 AromaticContact CD2-CD1 3.62Å; Y94-F107 HydrophobicContact CD2-CD1 3.62Å; Y94-F107 AromaticContact CD2-CD2 3.73Å; Y94-F107 HydrophobicContact CD2-CD2 3.73Å; Y94-F107 AromaticContact CD2-CE1 3.52Å; Y94-F107 HydrophobicContact CD2-CE1 3.52Å; Y94-F107 AromaticContact CD2-CE2 3.62Å; Y94-F107 HydrophobicContact CD2-CE2 3.62Å; Y94-F107 AromaticContact CD2-CG 3.73Å; Y94-F107 HydrophobicContact CD2-CG 3.73Å; Y94-F107 AromaticContact CD2-CZ 3.51Å; Y94-F107 HydrophobicContact CD2-CZ 3.51Å; Y94-F107 AromaticContact CE1-CD2 3.88Å; Y94-F107 HydrophobicContact CE1-CD2 3.88Å; Y94-F107 HydrophobicContact CE1-CE2 4.26Å; Y94-F107 HydrophobicContact CE1-CG 4.36Å; Y94-F107 HydrophobicContact CE2-CD1 4.4Å; Y94-F107 AromaticContact CE2-CD2 3.77Å; Y94-F107 HydrophobicContact CE2-CD2 3.77Å; Y94-F107 HydrophobicContact CE2-CE1 4.07Å; Y94-F107 AromaticContact CE2-CE2 3.38Å; Y94-F107 HydrophobicContact CE2-CE2 3.38Å; Y94-F107 HydrophobicContact CE2-CG 4.27Å; Y94-F107 AromaticContact CE2-CZ 3.55Å; Y94-F107 HydrophobicContact CE2-CZ 3.55Å; Y94-F107 HydrophobicContact CG-CB 3.93Å; Y94-F107 AromaticContact CG-CD1 3.64Å; Y94-F107 HydrophobicContact CG-CD1 3.64Å; Y94-F107 AromaticContact CG-CD2 3.75Å; Y94-F107 HydrophobicContact CG-CD2 3.75Å; Y94-F107 HydrophobicContact CG-CE1 4.06Å; Y94-F107 HydrophobicContact CG-CE2 4.14Å; Y94-F107 AromaticContact CG-CG 3.47Å; Y94-F107 HydrophobicContact CG-CG 3.47Å; Y94-F107 VanDerWaalsContact CG-CG 3.47Å; Y94-F107 HydrophobicContact CG-CZ 4.28Å; Y94-F107 AromaticContact CZ-CD2 3.84Å; Y94-F107 AromaticContact CZ-CE2 3.73Å; Y94-K114 PolarHBondContact N-O 3.04Å; Y94-V115 HydrophobicContact CD1-CG1 4.23Å; Y94-V115 CarbonylContact O-C 3.56Å; Y94-V115 VanDerWaalsContact O-CA 3.31Å; Y94-V115 WeakPolarHBondContact O-CA 3.33Å; Y94-A116 PolarHBondContact O-N 3.48Å
95V96.4Very high96.1Very high57 Ų5742.1 Ų42.135%0.34524%0.236SC..EExtended strand (participates in β ladder)trans-118.6118.1177.4-172.40000109.6L93 A116L93-V95 HydrophobicContact CD2-CG2 4.25Å; L93-V95 HydrophobicContact CG-CG2 4.03Å; V95-A116 CarbonylContact C-O 3.6Å; V95-A116 WeakPolarHBondContact CA-O 3.44Å; V95-A116 HydrophobicContact CG1-CB 4.43Å; V95-A116 HydrophobicContact CG2-CB 4.27Å
96D95.5Very high96.1Very high3 Ų342.9 Ų42.92%0.01624%0.24CC..EExtended strand (participates in β ladder)trans-84.1109.2168.8174.829.6000110.4Y94 M98 G99 Y100 A101 L104 A116 S117 Y118Y94-D96 HydrophobicContact CE1-CB 4.05Å; D96-M98 PolarHBondContact OD1-N 2.86Å; D96-G99 PolarHBondContact OD1-N 3.31Å; D96-Y100 PolarHBondContact OD1-N 3.18Å; D96-Y100 VanDerWaalsContact OD1-N 3.14Å; D96-Y100 VanDerWaalsContact OD2-C 3.27Å; D96-Y100 PolarHBondContact OD2-N 3.22Å; D96-A101 PolarHBondContact OD2-N 2.87Å; D96-L104 HydrophobicContact CB-CD2 3.98Å; D96-A116 PolarHBondContact N-O 2.78Å; D96-S117 CarbonylContact O-C 3.44Å; D96-S117 WeakPolarHBondContact O-CA 3.3Å; D96-Y118 PolarHBondContact O-N 3.09Å
97S91.3Very high96.2Very high23 Ų2342.5 Ų42.516%0.16124%0.238CC..  trans-108.61.6174.867.70000113.3
98M89.4Confident96.2Very high121 Ų12141.5 Ų41.560%0.59622%0.224SC*.SBendtrans-107.1-11.2-173.5-66.9-70.8-72.900112.5D96 Y100D96-M98 PolarHBondContact OD1-N 2.86Å; M98-Y100 HydrophobicContact CB-CD2 3.7Å; M98-Y100 HydrophobicContact CB-CE2 3.77Å
99G90.6Very high96.2Very high18 Ų1845.6 Ų45.619%0.18623%0.228CC..SBendtrans86.327-178.700000113D96 A101 T123D96-G99 PolarHBondContact OD1-N 3.31Å; G99-A101 PolarHBondContact O-N 2.99Å; G99-T123 PolarHBondContact O-OG1 3.49Å
100Y94.1Very high96.3Very high70 Ų7046.3 Ų46.328%0.27524%0.235SC..  trans-96.760175.3-64.3-47.2000111.4V61 D96 M98 F102 T103V61-Y100 HydrophobicContact CB-CE1 3.86Å; V61-Y100 HydrophobicContact CG1-CD1 4.42Å; V61-Y100 HydrophobicContact CG1-CE1 4.01Å; V61-Y100 HydrophobicContact CG2-CE1 4.25Å; V61-Y100 HydrophobicContact CG2-CE2 4.39Å; V61-Y100 VanDerWaalsContact CG2-OH 3.31Å; V61-Y100 WeakPolarHBondContact CG2-OH 3.28Å; D96-Y100 PolarHBondContact OD1-N 3.18Å; D96-Y100 VanDerWaalsContact OD1-N 3.14Å; D96-Y100 VanDerWaalsContact OD2-C 3.27Å; D96-Y100 PolarHBondContact OD2-N 3.22Å; M98-Y100 HydrophobicContact CB-CD2 3.7Å; M98-Y100 HydrophobicContact CB-CE2 3.77Å; Y100-F102 PolarHBondContact O-N 2.69Å; Y100-T103 WeakPolarHBondContact O-CB 3.37Å; Y100-T103 WeakPolarHBondContact O-CG2 3.47Å; Y100-T103 PolarHBondContact O-N 3.01Å; Y100-T103 PolarHBondContact O-OG1 2.83Å
101A96.7Very high96.2Very high1 Ų143.2 Ų43.21%0.00822%0.219CC..THydrogen-bonded Turntrans-52.3-26.3-173.500000115D96 G99 T103 L104 P105 Y166 W191D96-A101 PolarHBondContact OD2-N 2.87Å; G99-A101 PolarHBondContact O-N 2.99Å; A101-T103 PolarHBondContact O-N 3.31Å; A101-L104 HydrophobicContact CB-CD1 4.23Å; A101-L104 VanDerWaalsContact O-CB 3.25Å; A101-L104 WeakPolarHBondContact O-CB 3.49Å; A101-L104 WeakPolarHBondContact O-CD1 3.44Å; A101-L104 VanDerWaalsContact O-CG 3.26Å; A101-L104 WeakPolarHBondContact O-CG 3.36Å; A101-L104 PolarHBondContact O-N 3.21Å; A101-L104 VanDerWaalsContact O-N 3.14Å; A101-P105 WeakPolarHBondContact O-CD 3.47Å; A101-Y166 HydrophobicContact CB-CD2 4.06Å; A101-Y166 HydrophobicContact CB-CE2 3.65Å; A101-W191 HydrophobicContact CB-CH2 4.13Å; A101-W191 HydrophobicContact CB-CZ2 3.73Å
102F97.9Very high96.2Very high19 Ų1947.5 Ų47.58%0.08325%0.25CC..THydrogen-bonded Turntrans-70.9-10.8176.6-73-97.5000114.4S75 M79 Y100 P105 F162 L165 Y166 A169S75-F102 VanDerWaalsContact CB-CD2 3.46Å; S75-F102 VanDerWaalsContact OG-CD2 3.27Å; S75-F102 WeakPolarHBondContact OG-CD2 3.15Å; S75-F102 WeakPolarHBondContact OG-CE2 3.42Å; M79-F102 HydrophobicContact CG-CB 3.75Å; M79-F102 HydrophobicContact SD-CB 4.47Å; M79-F102 HydrophobicContact SD-CD1 4.19Å; Y100-F102 PolarHBondContact O-N 2.69Å; F102-P105 WeakPolarHBondContact O-CD 3.4Å; F102-P105 WeakPolarHBondContact O-CG 3.5Å; F102-F162 HydrophobicContact CE2-CE2 4.17Å; F102-F162 HydrophobicContact CE2-CZ 4.04Å; F102-F162 HydrophobicContact CZ-CE2 4.17Å; F102-F162 HydrophobicContact CZ-CZ 4.42Å; F102-L165 HydrophobicContact CE1-CB 4.08Å; F102-L165 HydrophobicContact CZ-CB 4.02Å; F102-Y166 HydrophobicContact CE2-CD2 4.06Å; F102-A169 HydrophobicContact CD1-CB 3.99Å; F102-A169 HydrophobicContact CD2-CB 4.46Å; F102-A169 HydrophobicContact CE1-CB 4.2Å; F102-A169 HydrophobicContact CG-CB 4.13Å
103T97.8Very high96.3Very high4 Ų441.6 Ų41.63%0.02522%0.218CC..Hα-helixtrans-74.9-27.4168.4660000111.8S78 Y94 Y100 A101 I106 F107S78-T103 VanDerWaalsContact O-CG2 3.29Å; S78-T103 WeakPolarHBondContact O-CG2 3.33Å; Y94-T103 VanDerWaalsContact CE1-OG1 3.28Å; Y94-T103 WeakPolarHBondContact CE1-OG1 3.49Å; Y94-T103 PolarHBondContact OH-OG1 2.82Å; Y100-T103 WeakPolarHBondContact O-CB 3.37Å; Y100-T103 WeakPolarHBondContact O-CG2 3.47Å; Y100-T103 PolarHBondContact O-N 3.01Å; Y100-T103 PolarHBondContact O-OG1 2.83Å; A101-T103 PolarHBondContact O-N 3.31Å; T103-I106 WeakPolarHBondContact O-CB 3.31Å; T103-I106 PolarHBondContact O-N 3.45Å; T103-F107 WeakPolarHBondContact O-CD2 3.47Å; T103-F107 PolarHBondContact O-N 3.23Å; T103-F107 VanDerWaalsContact O-N 3.07Å
104L98.3Very high96.3Very high0 Ų043.1 Ų43.10%022%0.223CC..Hα-helixtrans-55.2-50.7-177.4-59.1169.1000113Y94 D96 A101 I106 F107 R108 V115 C172 W191Y94-L104 HydrophobicContact CD1-CD2 4.27Å; Y94-L104 HydrophobicContact CE1-CD2 4.18Å; D96-L104 HydrophobicContact CB-CD2 3.98Å; A101-L104 HydrophobicContact CB-CD1 4.23Å; A101-L104 VanDerWaalsContact O-CB 3.25Å; A101-L104 WeakPolarHBondContact O-CB 3.49Å; A101-L104 WeakPolarHBondContact O-CD1 3.44Å; A101-L104 VanDerWaalsContact O-CG 3.26Å; A101-L104 WeakPolarHBondContact O-CG 3.36Å; A101-L104 PolarHBondContact O-N 3.21Å; A101-L104 VanDerWaalsContact O-N 3.14Å; L104-I106 VanDerWaalsContact C-N 3.26Å; L104-I106 PolarHBondContact O-N 3.17Å; L104-F107 PolarHBondContact O-N 3.27Å; L104-R108 VanDerWaalsContact O-CB 3.27Å; L104-R108 WeakPolarHBondContact O-CB 3.39Å; L104-R108 PolarHBondContact O-N 3.28Å; L104-V115 HydrophobicContact CD2-CB 4.07Å; L104-C172 HydrophobicContact CB-CB 4.37Å; L104-W191 HydrophobicContact CD1-CH2 4.38Å
105P98.3Very high96.3Very high25 Ų2541.9 Ų41.916%0.16222%0.218CC..Hα-helixtrans-63.7-30.4176.323.9-34.8000113.1A101 F102 Y109 A169A101-P105 WeakPolarHBondContact O-CD 3.47Å; F102-P105 WeakPolarHBondContact O-CD 3.4Å; F102-P105 WeakPolarHBondContact O-CG 3.5Å; P105-Y109 HydrophobicContact CB-CD2 3.86Å; P105-Y109 HydrophobicContact CB-CE2 3.99Å; P105-Y109 WeakPolarHBondContact O-CB 3.39Å; P105-Y109 VanDerWaalsContact O-CD2 3.23Å; P105-Y109 WeakPolarHBondContact O-CD2 3.32Å; P105-Y109 PolarHBondContact O-N 3.28Å; P105-A169 HydrophobicContact CG-CB 4.28Å
106I98.3Very high96.4Very high20 Ų2039.1 Ų39.110%0.10320%0.202CC..Iπ-helixtrans-64.2-53.2177.8-57.3-58.3000110.1M79 W83 L86 T103 L104 L110 G111M79-I106 HydrophobicContact CB-CD1 4.36Å; M79-I106 HydrophobicContact CB-CG1 4.3Å; M79-I106 HydrophobicContact CE-CD1 3.97Å; M79-I106 HydrophobicContact CG-CG1 4.44Å; W83-I106 HydrophobicContact CB-CG2 4.38Å; L86-I106 HydrophobicContact CD2-CG2 4.19Å; T103-I106 WeakPolarHBondContact O-CB 3.31Å; T103-I106 PolarHBondContact O-N 3.45Å; L104-I106 VanDerWaalsContact C-N 3.26Å; L104-I106 PolarHBondContact O-N 3.17Å; I106-L110 HydrophobicContact CD1-CD1 4.4Å; I106-L110 HydrophobicContact CG2-CD1 4.27Å; I106-L110 VanDerWaalsContact O-CB 3.27Å; I106-L110 WeakPolarHBondContact O-CB 3.5Å; I106-L110 PolarHBondContact O-N 3.31Å; I106-G111 PolarHBondContact O-N 2.99Å
107F98.4Very high96.5Very high0 Ų039 Ų390%020%0.201CC..Iπ-helixtrans-65.4-41.6178-82-91.2000112.2Y23 G82 A85 L86 P91 Y94 T103 L104 G111 S112 C113 V115Y23-F107 HydrophobicContact CE2-CE1 4.4Å; Y23-F107 HydrophobicContact CE2-CZ 4.29Å; G82-F107 WeakPolarHBondContact O-CE2 3.46Å; A85-F107 HydrophobicContact CB-CE2 4.34Å; A85-F107 HydrophobicContact CB-CZ 3.79Å; L86-F107 HydrophobicContact CB-CE1 4.12Å; L86-F107 HydrophobicContact CB-CZ 4.16Å; L86-F107 HydrophobicContact CD1-CD1 3.61Å; L86-F107 HydrophobicContact CD1-CE1 3.76Å; L86-F107 HydrophobicContact CD1-CG 4.33Å; P91-F107 HydrophobicContact CG-CD1 4.12Å; P91-F107 HydrophobicContact CG-CE1 4.05Å; Y94-F107 HydrophobicContact CD1-CB 4.01Å; Y94-F107 HydrophobicContact CD1-CD1 4.45Å; Y94-F107 AromaticContact CD1-CD2 3.83Å; Y94-F107 HydrophobicContact CD1-CD2 3.83Å; Y94-F107 HydrophobicContact CD1-CE2 4.44Å; Y94-F107 AromaticContact CD1-CG 3.83Å; Y94-F107 HydrophobicContact CD1-CG 3.83Å; Y94-F107 AromaticContact CD2-CD1 3.62Å; Y94-F107 HydrophobicContact CD2-CD1 3.62Å; Y94-F107 AromaticContact CD2-CD2 3.73Å; Y94-F107 HydrophobicContact CD2-CD2 3.73Å; Y94-F107 AromaticContact CD2-CE1 3.52Å; Y94-F107 HydrophobicContact CD2-CE1 3.52Å; Y94-F107 AromaticContact CD2-CE2 3.62Å; Y94-F107 HydrophobicContact CD2-CE2 3.62Å; Y94-F107 AromaticContact CD2-CG 3.73Å; Y94-F107 HydrophobicContact CD2-CG 3.73Å; Y94-F107 AromaticContact CD2-CZ 3.51Å; Y94-F107 HydrophobicContact CD2-CZ 3.51Å; Y94-F107 AromaticContact CE1-CD2 3.88Å; Y94-F107 HydrophobicContact CE1-CD2 3.88Å; Y94-F107 HydrophobicContact CE1-CE2 4.26Å; Y94-F107 HydrophobicContact CE1-CG 4.36Å; Y94-F107 HydrophobicContact CE2-CD1 4.4Å; Y94-F107 AromaticContact CE2-CD2 3.77Å; Y94-F107 HydrophobicContact CE2-CD2 3.77Å; Y94-F107 HydrophobicContact CE2-CE1 4.07Å; Y94-F107 AromaticContact CE2-CE2 3.38Å; Y94-F107 HydrophobicContact CE2-CE2 3.38Å; Y94-F107 HydrophobicContact CE2-CG 4.27Å; Y94-F107 AromaticContact CE2-CZ 3.55Å; Y94-F107 HydrophobicContact CE2-CZ 3.55Å; Y94-F107 HydrophobicContact CG-CB 3.93Å; Y94-F107 AromaticContact CG-CD1 3.64Å; Y94-F107 HydrophobicContact CG-CD1 3.64Å; Y94-F107 AromaticContact CG-CD2 3.75Å; Y94-F107 HydrophobicContact CG-CD2 3.75Å; Y94-F107 HydrophobicContact CG-CE1 4.06Å; Y94-F107 HydrophobicContact CG-CE2 4.14Å; Y94-F107 AromaticContact CG-CG 3.47Å; Y94-F107 HydrophobicContact CG-CG 3.47Å; Y94-F107 VanDerWaalsContact CG-CG 3.47Å; Y94-F107 HydrophobicContact CG-CZ 4.28Å; Y94-F107 AromaticContact CZ-CD2 3.84Å; Y94-F107 AromaticContact CZ-CE2 3.73Å; T103-F107 WeakPolarHBondContact O-CD2 3.47Å; T103-F107 PolarHBondContact O-N 3.23Å; T103-F107 VanDerWaalsContact O-N 3.07Å; L104-F107 PolarHBondContact O-N 3.27Å; F107-G111 CarbonylContact O-C 3.35Å; F107-G111 WeakPolarHBondContact O-CA 3.46Å; F107-G111 PolarHBondContact O-N 2.92Å; F107-G111 VanDerWaalsContact O-N 3.11Å; F107-S112 PolarHBondContact O-N 3.46Å; F107-C113 HydrophobicContact CB-CB 4.19Å; F107-C113 WeakPolarHBondContact O-CB 3.44Å; F107-C113 PolarHBondContact O-N 2.92Å; F107-C113 VanDerWaalsContact O-N 3.09Å; F107-C113 PolarHBondContact O-SG 3.22Å; F107-C113 VanDerWaalsContact O-SG 3.39Å; F107-V115 HydrophobicContact CB-CG1 3.9Å
108R98Very high96.7Very high68 Ų6838 Ų3826%0.25719%0.194SC..Iπ-helixtrans-64-52-179.3-176177.9-173.281.4-1.8112.7L104 S112 V115 C172 D174L104-R108 VanDerWaalsContact O-CB 3.27Å; L104-R108 WeakPolarHBondContact O-CB 3.39Å; L104-R108 PolarHBondContact O-N 3.28Å; R108-S112 VanDerWaalsContact O-CA 3.27Å; R108-S112 WeakPolarHBondContact O-CA 3.23Å; R108-S112 PolarHBondContact O-N 3.48Å; R108-V115 HydrophobicContact CB-CG1 4.07Å; R108-V115 HydrophobicContact CB-CG2 4.05Å; R108-V115 HydrophobicContact CG-CG2 4.36Å; R108-C172 WeakPolarHBondContact CD-O 3.49Å; R108-C172 PolarHBondContact NH1-O 3.49Å; R108-D174 IonicContact CZ-OD1 3.61Å; R108-D174 IonicContact NH1-OD1 2.79Å; R108-D174 PolarHBondContact NH1-OD1 2.79Å; R108-D174 IonicContact NH1-OD2 2.95Å; R108-D174 PolarHBondContact NH1-OD2 2.82Å; R108-D174 IonicContact NH2-OD1 3.52Å
109Y97.9Very high97Very high148 Ų14832.3 Ų32.358%0.5817%0.166SC*.Iπ-helixtrans-93.7-34-168.2-61.1-59.2000113.3P105P105-Y109 HydrophobicContact CB-CD2 3.86Å; P105-Y109 HydrophobicContact CB-CE2 3.99Å; P105-Y109 WeakPolarHBondContact O-CB 3.39Å; P105-Y109 VanDerWaalsContact O-CD2 3.23Å; P105-Y109 WeakPolarHBondContact O-CD2 3.32Å; P105-Y109 PolarHBondContact O-N 3.28Å
110L97.6Very high97.1Very high106 Ų10633.3 Ų33.356%0.55517%0.166SC*.Iπ-helixtrans-91.1-35177.9-52.4-175.4000111.6W83 L86 I106W83-L110 HydrophobicContact CE3-CD1 3.76Å; W83-L110 HydrophobicContact CZ3-CB 4.42Å; W83-L110 HydrophobicContact CZ3-CD1 3.74Å; L86-L110 HydrophobicContact CD2-CB 3.81Å; I106-L110 HydrophobicContact CD1-CD1 4.4Å; I106-L110 HydrophobicContact CG2-CD1 4.27Å; I106-L110 VanDerWaalsContact O-CB 3.27Å; I106-L110 WeakPolarHBondContact O-CB 3.5Å; I106-L110 PolarHBondContact O-N 3.31Å
111G96.9Very high96.7Very high14 Ų1434.4 Ų34.414%0.14417%0.17CC..SBendtrans-89.2-14.417900000114.8V90 I106 F107 C113V90-G111 WeakPolarHBondContact CG1-O 3.34Å; I106-G111 PolarHBondContact O-N 2.99Å; F107-G111 CarbonylContact O-C 3.35Å; F107-G111 WeakPolarHBondContact O-CA 3.46Å; F107-G111 PolarHBondContact O-N 2.92Å; F107-G111 VanDerWaalsContact O-N 3.11Å; G111-C113 PolarHBondContact O-N 3.24Å; G111-C113 VanDerWaalsContact O-N 3.16Å
112S96.7Very high96.4Very high108 Ų10834.3 Ų34.376%0.75517%0.169SC*.  trans54.724.5-169.2-61.50000113.3F107 R108F107-S112 PolarHBondContact O-N 3.46Å; R108-S112 VanDerWaalsContact O-CA 3.27Å; R108-S112 WeakPolarHBondContact O-CA 3.23Å; R108-S112 PolarHBondContact O-N 3.48Å
113C97.6Very high96.1Very high5 Ų534.8 Ų34.83%0.03417%0.174CC..  trans-75.2151.3178.8-49.30000110.7P91 F107 G111P91-C113 PolarHBondContact O-SG 2.76Å; F107-C113 HydrophobicContact CB-CB 4.19Å; F107-C113 WeakPolarHBondContact O-CB 3.44Å; F107-C113 PolarHBondContact O-N 2.92Å; F107-C113 VanDerWaalsContact O-N 3.09Å; F107-C113 PolarHBondContact O-SG 3.22Å; F107-C113 VanDerWaalsContact O-SG 3.39Å; G111-C113 PolarHBondContact O-N 3.24Å; G111-C113 VanDerWaalsContact O-N 3.16Å
114K97.8Very high95.8Very high69 Ų6934.6 Ų34.630%0.317%0.173SC..EExtended strand (participates in β ladder)trans-68.7147.3152.3-65.1-57.1-172.8172.60109.1D92 L93 Y94 D174 L438 L442D92-K114 WeakPolarHBondContact O-CB 3.48Å; D92-K114 PolarHBondContact O-N 3.36Å; L93-K114 WeakPolarHBondContact CA-O 3.4Å; L93-K114 HydrophobicContact CD1-CB 3.88Å; Y94-K114 PolarHBondContact N-O 3.04Å; K114-D174 WeakPolarHBondContact CA-OD2 3.43Å; K114-L438 HydrophobicContact CB-CD1 3.89Å; K114-L438 HydrophobicContact CB-CD2 4.3Å; K114-L438 HydrophobicContact CB-CG 4.31Å; K114-L438 HydrophobicContact CD-CD1 3.86Å; K114-L438 HydrophobicContact CG-CD1 3.77Å; K114-L442 HydrophobicContact CB-CD1 4.39Å; K114-L442 HydrophobicContact CG-CD1 4.31Å; K114-L442 HydrophobicContact CG-CD2 3.92Å; K114-L442 HydrophobicContact CG-CG 4.44Å
115V97.8Very high95.5Very high0 Ų034.8 Ų34.80%017%0.174CC..EExtended strand (participates in β ladder)trans-130.1133.9-176.3-72.80000111.1Y94 L104 F107 R108 C172 D174Y94-V115 HydrophobicContact CD1-CG1 4.23Å; Y94-V115 CarbonylContact O-C 3.56Å; Y94-V115 VanDerWaalsContact O-CA 3.31Å; Y94-V115 WeakPolarHBondContact O-CA 3.33Å; L104-V115 HydrophobicContact CD2-CB 4.07Å; F107-V115 HydrophobicContact CB-CG1 3.9Å; R108-V115 HydrophobicContact CB-CG1 4.07Å; R108-V115 HydrophobicContact CB-CG2 4.05Å; R108-V115 HydrophobicContact CG-CG2 4.36Å; V115-C172 WeakPolarHBondContact CG2-O 3.44Å; V115-D174 PolarHBondContact N-OD2 2.88Å; V115-D174 WeakPolarHBondContact O-CA 3.43Å; V115-D174 WeakPolarHBondContact O-CB 3.41Å; V115-D174 PolarHBondContact O-N 2.71Å
116A97.8Very high95.1Very high0 Ų035.7 Ų35.70%018%0.179CC..EExtended strand (participates in β ladder)trans-128.7162.9171.800000110.2L93 Y94 V95 D96 S173 V175 L438L93-A116 HydrophobicContact CD1-CB 4.24Å; Y94-A116 PolarHBondContact O-N 3.48Å; V95-A116 CarbonylContact C-O 3.6Å; V95-A116 WeakPolarHBondContact CA-O 3.44Å; V95-A116 HydrophobicContact CG1-CB 4.43Å; V95-A116 HydrophobicContact CG2-CB 4.27Å; D96-A116 PolarHBondContact N-O 2.78Å; A116-S173 WeakPolarHBondContact CA-OG 3.46Å; A116-V175 VanDerWaalsContact CA-O 3.29Å; A116-V175 WeakPolarHBondContact CA-O 3.3Å; A116-V175 HydrophobicContact CB-CB 4.17Å; A116-L438 HydrophobicContact CB-CD2 4.49Å
117S97.1Very high94.6Very high0 Ų036.6 Ų36.60%018%0.184CC..EExtended strand (participates in β ladder)trans-140143.7176.247.70000110.8D96 S173 V175 M177 W191D96-S117 CarbonylContact O-C 3.44Å; D96-S117 WeakPolarHBondContact O-CA 3.3Å; S117-S173 PolarHBondContact N-OG 3.11Å; S117-S173 PolarHBondContact OG-OG 3.08Å; S117-V175 PolarHBondContact N-O 3.04Å; S117-M177 PolarHBondContact O-N 3.31Å; S117-W191 WeakPolarHBondContact OG-CZ3 3.43Å
118Y96.8Very high93.9Very high2 Ų237.7 Ų37.71%0.00819%0.19CC..EExtended strand (participates in β ladder)trans-119.2102.3166.2-173.6-154.4000109.4N3 D96 H120 M177 N179 V200 F427 F431N3-Y118 HydrophobicContact CB-CD1 4.28Å; N3-Y118 HydrophobicContact CB-CE1 3.89Å; D96-Y118 PolarHBondContact O-N 3.09Å; Y118-H120 AromaticContact CD1-CE1 3.54Å; Y118-H120 AromaticContact CD1-NE2 3.49Å; Y118-H120 WeakPolarHBondContact CD1-NE2 3.37Å; Y118-H120 AromaticContact CE1-CE1 3.09Å; Y118-H120 WeakPolarHBondContact CE1-CE1 3.45Å; Y118-H120 AromaticContact CE1-NE2 3.52Å; Y118-H120 AromaticContact CE2-CE1 3.97Å; Y118-H120 AromaticContact CZ-CE1 3.31Å; Y118-M177 CarbonylContact C-O 3.34Å; Y118-M177 WeakPolarHBondContact CA-O 3.02Å; Y118-M177 HydrophobicContact CD2-CB 3.58Å; Y118-M177 HydrophobicContact CE2-CB 4.26Å; Y118-M177 HydrophobicContact CG-CB 4.28Å; Y118-N179 HydrophobicContact CE2-CB 4.21Å; Y118-V200 HydrophobicContact CE2-CB 4.13Å; Y118-V200 HydrophobicContact CE2-CG1 4.5Å; Y118-V200 VanDerWaalsContact CE2-O 3.31Å; Y118-V200 WeakPolarHBondContact CE2-O 3.47Å; Y118-V200 PolarHBondContact OH-O 2.74Å; Y118-F427 AromaticContact CE1-CE2 3.6Å; Y118-F427 HydrophobicContact CE1-CE2 3.6Å; Y118-F427 AromaticContact CE1-CZ 3.96Å; Y118-F427 HydrophobicContact CE1-CZ 3.96Å; Y118-F427 AromaticContact CZ-CE2 3.78Å; Y118-F431 HydrophobicContact CD1-CE2 4.07Å; Y118-F431 HydrophobicContact CG-CE2 4.35Å
119V95.8Very high93.3Very high2 Ų235.2 Ų35.21%0.01218%0.181CC..EExtended strand (participates in β ladder)trans-94.4117.2-172.3-171.90000110.5V176 M177 V178 N179 T183 I187 W191V119-V176 HydrophobicContact CG2-CG1 4.47Å; V119-M177 PolarHBondContact N-O 3.08Å; V119-V178 HydrophobicContact CB-CG1 4.32Å; V119-V178 WeakPolarHBondContact O-CA 3.33Å; V119-N179 PolarHBondContact O-N 3.22Å; V119-N179 VanDerWaalsContact O-N 3.11Å; V119-N179 PolarHBondContact O-OD1 3.29Å; V119-T183 HydrophobicContact CB-CG2 4.32Å; V119-T183 HydrophobicContact CG1-CG2 3.99Å; V119-I187 HydrophobicContact CG1-CD1 4.13Å; V119-I187 HydrophobicContact CG1-CG1 4.35Å; V119-I187 HydrophobicContact CG2-CD1 4.4Å; V119-W191 HydrophobicContact CG2-CH2 3.65Å; V119-W191 HydrophobicContact CG2-CZ2 4.29Å; V119-W191 HydrophobicContact CG2-CZ3 4.13Å
120H90.9Very high92.7Very high39 Ų3931 Ų3118%0.18117%0.171CC..SBendtrans-94.8-36173.1-63.8-66.1000113.6N3 Y118 N179N3-H120 VanDerWaalsContact CB-CE1 3.47Å; N3-H120 WeakPolarHBondContact CB-CE1 3.46Å; N3-H120 WeakPolarHBondContact CB-NE2 3.27Å; N3-H120 PolarHBondContact ND2-CE1 2.98Å; N3-H120 PolarHBondContact ND2-ND1 2.97Å; N3-H120 PolarHBondContact ND2-NE2 2.88Å; N3-H120 VanDerWaalsContact ND2-NE2 3.1Å; Y118-H120 AromaticContact CD1-CE1 3.54Å; Y118-H120 AromaticContact CD1-NE2 3.49Å; Y118-H120 WeakPolarHBondContact CD1-NE2 3.37Å; Y118-H120 AromaticContact CE1-CE1 3.09Å; Y118-H120 WeakPolarHBondContact CE1-CE1 3.45Å; Y118-H120 AromaticContact CE1-NE2 3.52Å; Y118-H120 AromaticContact CE2-CE1 3.97Å; Y118-H120 AromaticContact CZ-CE1 3.31Å; H120-N179 PolarHBondContact O-ND2 3.33Å; H120-N179 VanDerWaalsContact O-ND2 3.17Å; H120-N179 PolarHBondContact O-OD1 3.32Å
121Y86.6Confident91.9Very high92 Ų9226.5 Ų26.536%0.36115%0.148SC..SBendtrans-143.7122.1176.9179-124.5000108.1W182 H347Y121-W182 HydrophobicContact CE2-CH2 4.43Å; Y121-H347 AromaticContact CD2-CD2 3.65Å; Y121-H347 AromaticContact CD2-CE1 2.87Å; Y121-H347 WeakPolarHBondContact CD2-CE1 3.27Å; Y121-H347 AromaticContact CD2-CG 3.89Å; Y121-H347 AromaticContact CD2-ND1 3.42Å; Y121-H347 WeakPolarHBondContact CD2-ND1 3.39Å; Y121-H347 AromaticContact CD2-NE2 3Å; Y121-H347 WeakPolarHBondContact CD2-NE2 3.37Å; Y121-H347 AromaticContact CE2-CD2 3.95Å; Y121-H347 AromaticContact CE2-CE1 3.34Å; Y121-H347 WeakPolarHBondContact CE2-CE1 3.35Å; Y121-H347 AromaticContact CE2-NE2 3.06Å; Y121-H347 WeakPolarHBondContact CE2-NE2 3.47Å; Y121-H347 AromaticContact CG-CE1 3.45Å; Y121-H347 VanDerWaalsContact CG-CE1 3.45Å; Y121-H347 AromaticContact CG-ND1 3.86Å
122P90.4Very high91.1Very high0 Ų026.4 Ų26.40%015%0.145CC..  trans-69.3138.817630.5-35000109.8V124 Y166 W182 H186 I187P122-V124 WeakPolarHBondContact CB-O 2.86Å; P122-V124 PolarHBondContact O-N 2.96Å; P122-V124 VanDerWaalsContact O-N 3.11Å; P122-Y166 VanDerWaalsContact CA-OH 3.29Å; P122-Y166 WeakPolarHBondContact CA-OH 3.4Å; P122-Y166 HydrophobicContact CB-CE1 4.31Å; P122-Y166 WeakPolarHBondContact CB-OH 3.44Å; P122-W182 HydrophobicContact CG-CZ3 4.44Å; P122-H186 HydrophobicContact CG-CB 4.15Å; P122-I187 HydrophobicContact CB-CD1 4.07Å
123T91.4Very high90.3Very high29 Ų2928.6 Ų28.618%0.17814%0.136CC..SBendtrans-55.9-32178.7-48.50000112.4L71 G99 F162 Y166L71-T123 HydrophobicContact CD2-CG2 4.27Å; G99-T123 PolarHBondContact O-OG1 3.49Å; T123-F162 HydrophobicContact CG2-CE1 4.05Å; T123-F162 HydrophobicContact CG2-CZ 3.92Å; T123-Y166 PolarHBondContact N-OH 3.07Å; T123-Y166 WeakPolarHBondContact OG1-CE2 3.19Å
124V92.2Very high89.4Confident0 Ų034.5 Ų34.50%016%0.164CC..SBendtrans-138.3136.8167.962.30000108.5P122 M128 L129 Y159 F162 A163 Y166 L190P122-V124 WeakPolarHBondContact CB-O 2.86Å; P122-V124 PolarHBondContact O-N 2.96Å; P122-V124 VanDerWaalsContact O-N 3.11Å; V124-M128 HydrophobicContact CG2-CB 4.46Å; V124-L129 HydrophobicContact CG2-CD2 4.05Å; V124-L129 HydrophobicContact CG2-CG 4.25Å; V124-Y159 HydrophobicContact CG2-CD1 4.27Å; V124-F162 HydrophobicContact CB-CD1 4.19Å; V124-F162 HydrophobicContact CB-CE1 4.14Å; V124-F162 HydrophobicContact CG1-CD1 3.96Å; V124-F162 HydrophobicContact CG1-CE1 3.98Å; V124-A163 HydrophobicContact CG1-CB 4.3Å; V124-Y166 HydrophobicContact CG1-CD1 3.53Å; V124-Y166 HydrophobicContact CG1-CE1 4.13Å; V124-Y166 HydrophobicContact CG1-CG 3.99Å; V124-L190 HydrophobicContact CG1-CD1 4.41Å; V124-L190 WeakPolarHBondContact O-CD1 3.48Å
125S91.8Very high88Confident4 Ų437.1 Ų37.13%0.02817%0.172CC..  trans-109161.8177.272.70000111.6D127 M128 L129S125-D127 PolarHBondContact O-N 3.34Å; S125-M128 PolarHBondContact O-N 3.4Å; S125-M128 WeakPolarHBondContact OG-CG 3.27Å; S125-M128 PolarHBondContact OG-N 2.9Å; S125-M128 VanDerWaalsContact OG-N 3.17Å; S125-L129 WeakPolarHBondContact O-CG 3.4Å; S125-L129 PolarHBondContact O-N 3.18Å
126T90.1Very high86.3Confident44 Ų4439.4 Ų39.427%0.2718%0.184SC..Hα-helixtrans-65.3-28.7173.8650000111.9L129 T130 H186 A189 L190T126-L129 WeakPolarHBondContact O-CB 3.36Å; T126-L129 PolarHBondContact O-N 3.09Å; T126-T130 PolarHBondContact O-N 3.17Å; T126-T130 PolarHBondContact O-OG1 3.36Å; T126-T130 VanDerWaalsContact O-OG1 3.08Å; T126-H186 PolarHBondContact N-ND1 3.43Å; T126-H186 PolarHBondContact OG1-CE1 2.8Å; T126-H186 PolarHBondContact OG1-ND1 2.91Å; T126-A189 HydrophobicContact CG2-CB 3.73Å; T126-L190 HydrophobicContact CG2-CD2 4.44Å; T126-L190 HydrophobicContact CG2-CG 4.26Å
127D86.8Confident84.2Confident39 Ų3943.8 Ų43.821%0.20921%0.212CC..Hα-helixtrans-63.2-44.4173.4-63.2-43.5000111.7S125 L129 T130 V131 W182 H186 W344 N345S125-D127 PolarHBondContact O-N 3.34Å; D127-L129 VanDerWaalsContact C-N 3.3Å; D127-L129 PolarHBondContact O-N 3.44Å; D127-T130 PolarHBondContact O-N 3.36Å; D127-V131 WeakPolarHBondContact O-CG2 3.31Å; D127-V131 PolarHBondContact O-N 3Å; D127-W182 VanDerWaalsContact OD2-CZ2 3.25Å; D127-W182 WeakPolarHBondContact OD2-CZ2 3.1Å; D127-W182 PolarHBondContact OD2-NE1 3.48Å; D127-H186 IonicContact OD2-CE1 3.08Å; D127-H186 PolarHBondContact OD2-CE1 2.95Å; D127-H186 IonicContact OD2-NE2 3.03Å; D127-H186 PolarHBondContact OD2-NE2 3.38Å; D127-W344 HydrophobicContact CB-CH2 4.17Å; D127-N345 VanDerWaalsContact CG-ND2 3.25Å; D127-N345 PolarHBondContact OD2-ND2 2.95Å
128M84.9Confident82Confident23 Ų2354 Ų5411%0.11325%0.251CS..Hα-helixtrans-60.9-40.6174.6-71.3176.67200111.5V124 S125 V131 V132 F139 Y159V124-M128 HydrophobicContact CG2-CB 4.46Å; S125-M128 PolarHBondContact O-N 3.4Å; S125-M128 WeakPolarHBondContact OG-CG 3.27Å; S125-M128 PolarHBondContact OG-N 2.9Å; S125-M128 VanDerWaalsContact OG-N 3.17Å; M128-V131 PolarHBondContact O-N 3.39Å; M128-V132 VanDerWaalsContact O-CG2 3.3Å; M128-V132 WeakPolarHBondContact O-CG2 3.38Å; M128-V132 PolarHBondContact O-N 2.94Å; M128-F139 HydrophobicContact CG-CE1 4.49Å; M128-Y159 HydrophobicContact CE-CE1 4.02Å
129L85.8Confident79.4Confident16 Ų1657.9 Ų57.98%0.08427%0.268CS..Hα-helixtrans-63.8-41.1177.1-63.7177.8000111.8V124 S125 T126 D127 V132 R133 Y159 A163 L190V124-L129 HydrophobicContact CG2-CD2 4.05Å; V124-L129 HydrophobicContact CG2-CG 4.25Å; S125-L129 WeakPolarHBondContact O-CG 3.4Å; S125-L129 PolarHBondContact O-N 3.18Å; T126-L129 WeakPolarHBondContact O-CB 3.36Å; T126-L129 PolarHBondContact O-N 3.09Å; D127-L129 VanDerWaalsContact C-N 3.3Å; D127-L129 PolarHBondContact O-N 3.44Å; L129-V132 PolarHBondContact O-N 3.05Å; L129-R133 WeakPolarHBondContact O-CB 3.18Å; L129-R133 WeakPolarHBondContact O-CG 3.43Å; L129-R133 PolarHBondContact O-N 2.88Å; L129-Y159 HydrophobicContact CD2-CD1 4.13Å; L129-Y159 HydrophobicContact CD2-CG 4.48Å; L129-A163 HydrophobicContact CD1-CB 3.85Å; L129-A163 HydrophobicContact CD2-CB 4.1Å; L129-L190 HydrophobicContact CD1-CD2 4.08Å
130T85Confident77Confident59 Ų5964.5 Ų64.536%0.36230%0.303SS..Hα-helixtrans-61.8-49.3175.4-600000110.8T126 D127 V132 R133 E134T126-T130 PolarHBondContact O-N 3.17Å; T126-T130 PolarHBondContact O-OG1 3.36Å; T126-T130 VanDerWaalsContact O-OG1 3.08Å; D127-T130 PolarHBondContact O-N 3.36Å; T130-V132 VanDerWaalsContact C-N 3.33Å; T130-V132 PolarHBondContact O-N 3.04Å; T130-R133 PolarHBondContact O-N 3.08Å; T130-R133 VanDerWaalsContact O-N 3.13Å; T130-E134 HydrophobicContact CG2-CG 4.3Å; T130-E134 WeakPolarHBondContact CG2-OE1 3.45Å; T130-E134 WeakPolarHBondContact O-CB 3.27Å; T130-E134 WeakPolarHBondContact O-CG 3.28Å; T130-E134 PolarHBondContact O-N 2.78Å
131V79.8Confident75Confident12 Ų1263.5 Ų63.57%0.07330%0.299CS..Hα-helixtrans-59.8-42.3178.6171.50000112.2D127 M128 E134 R135 N136 F139D127-V131 WeakPolarHBondContact O-CG2 3.31Å; D127-V131 PolarHBondContact O-N 3Å; M128-V131 PolarHBondContact O-N 3.39Å; V131-E134 PolarHBondContact O-N 2.97Å; V131-R135 PolarHBondContact O-N 3.27Å; V131-N136 HydrophobicContact CG1-CB 4.05Å; V131-N136 PolarHBondContact O-N 3.43Å; V131-F139 HydrophobicContact CG1-CB 3.73Å
132V80.4Confident73.6Confident12 Ų1261.2 Ų61.27%0.07330%0.299CS..Hα-helixtrans-66-38.6177.6171.70000111.4M128 L129 T130 R135 K155 V156 Y159M128-V132 VanDerWaalsContact O-CG2 3.3Å; M128-V132 WeakPolarHBondContact O-CG2 3.38Å; M128-V132 PolarHBondContact O-N 2.94Å; L129-V132 PolarHBondContact O-N 3.05Å; T130-V132 VanDerWaalsContact C-N 3.33Å; T130-V132 PolarHBondContact O-N 3.04Å; V132-R135 PolarHBondContact O-N 3.17Å; V132-K155 HydrophobicContact CG1-CG 4.02Å; V132-V156 HydrophobicContact CG1-CG2 3.89Å; V132-Y159 HydrophobicContact CB-CG 4.47Å; V132-Y159 HydrophobicContact CG1-CD2 4.08Å; V132-Y159 HydrophobicContact CG1-CG 4.17Å; V132-Y159 HydrophobicContact CG2-CD1 4.05Å; V132-Y159 HydrophobicContact CG2-CD2 4.12Å; V132-Y159 HydrophobicContact CG2-CE1 4.04Å; V132-Y159 HydrophobicContact CG2-CE2 4.16Å; V132-Y159 HydrophobicContact CG2-CG 4.08Å
133R80.1Confident71.9Confident154 Ų15465.9 Ų65.958%0.58132%0.324SS*.Hα-helixtrans-67.2-41.2176-74.4171.1-179.8-1771112.4L129 T130 R135 V156L129-R133 WeakPolarHBondContact O-CB 3.18Å; L129-R133 WeakPolarHBondContact O-CG 3.43Å; L129-R133 PolarHBondContact O-N 2.88Å; T130-R133 PolarHBondContact O-N 3.08Å; T130-R133 VanDerWaalsContact O-N 3.13Å; R133-R135 VanDerWaalsContact C-N 3.27Å; R133-R135 PolarHBondContact O-N 3.31Å; R133-V156 HydrophobicContact CG-CG1 4.3Å
134E79.6Confident70.3Confident129 Ų12971.2 Ų71.260%0.60335%0.345SS*.Hα-helixtrans-78.6-8.6-180-69.2178.2176.700113.5T130 V131 N136T130-E134 HydrophobicContact CG2-CG 4.3Å; T130-E134 WeakPolarHBondContact CG2-OE1 3.45Å; T130-E134 WeakPolarHBondContact O-CB 3.27Å; T130-E134 WeakPolarHBondContact O-CG 3.28Å; T130-E134 PolarHBondContact O-N 2.78Å; V131-E134 PolarHBondContact O-N 2.97Å; E134-N136 PolarHBondContact O-N 2.84Å
135R68.4Low68.8Low124 Ų12473 Ų7347%0.46835%0.354SS..THydrogen-bonded Turntrans57.228.8-175.7-50.9179.7-174.3176.40.9113.1V131 V132 R133V131-R135 PolarHBondContact O-N 3.27Å; V132-R135 PolarHBondContact O-N 3.17Å; R133-R135 VanDerWaalsContact C-N 3.27Å; R133-R135 PolarHBondContact O-N 3.31Å
136N60.9Low67.3Low48 Ų4874.2 Ų74.226%0.25736%0.363SS..  trans-69.9129.1-179.1-170.3-36.8000109.9V131 E134 R138 N141V131-N136 HydrophobicContact CG1-CB 4.05Å; V131-N136 PolarHBondContact O-N 3.43Å; E134-N136 PolarHBondContact O-N 2.84Å; N136-R138 PolarHBondContact O-N 3.27Å; N136-R138 WeakPolarHBondContact OD1-CB 3.41Å; N136-R138 WeakPolarHBondContact OD1-CG 3.41Å; N136-R138 PolarHBondContact OD1-N 3.45Å; N136-R138 VanDerWaalsContact OD1-N 3.07Å; N136-N141 PolarHBondContact O-ND2 2.76Å
137P53.3Low66.1Low92 Ų9281.5 Ų81.560%0.59739%0.385SS*.THydrogen-bonded Turntrans-68-9.4-178.425.3-33.4000114.3F139P137-F139 PolarHBondContact O-N 2.97Å; P137-F139 VanDerWaalsContact O-N 3.08Å
138R52.4Low65.6Low215 Ų21582.7 Ų82.781%0.81139%0.391SS*.THydrogen-bonded Turntrans-59.9-17.2-177.8-81.3-179.7164.1151.1-3.3115.9N136N136-R138 PolarHBondContact O-N 3.27Å; N136-R138 WeakPolarHBondContact OD1-CB 3.41Å; N136-R138 WeakPolarHBondContact OD1-CG 3.41Å; N136-R138 PolarHBondContact OD1-N 3.45Å; N136-R138 VanDerWaalsContact OD1-N 3.07Å
139F42.1Very low65.1Low82 Ų8285.5 Ų85.536%0.3641%0.411SS..THydrogen-bonded Turntrans-132.5117.7178.3-106.4-96.3000112.5M128 V131 P137 N141 W344M128-F139 HydrophobicContact CG-CE1 4.49Å; V131-F139 HydrophobicContact CG1-CB 3.73Å; P137-F139 PolarHBondContact O-N 2.97Å; P137-F139 VanDerWaalsContact O-N 3.08Å; F139-N141 WeakPolarHBondContact O-CB 3.41Å; F139-N141 PolarHBondContact O-N 3.05Å; F139-N141 PolarHBondContact O-ND2 2.96Å; F139-W344 HydrophobicContact CD2-CZ3 4.39Å; F139-W344 HydrophobicContact CE2-CE3 4.19Å; F139-W344 AromaticContact CE2-CZ3 3.69Å; F139-W344 HydrophobicContact CE2-CZ3 3.69Å
140N45.5Very low64.9Low141 Ų14189.5 Ų89.575%0.75444%0.437SS*.THydrogen-bonded Turntrans35.838.2161.1-1493.7000115.7K155N140-K155 PolarHBondContact O-NZ 3.47Å
141N48.7Very low64.6Low19 Ų1990.2 Ų90.210%0.10244%0.438CS..  trans-10893.5178.8-86.9-33.6000104.9N136 F139 D143 K155N136-N141 PolarHBondContact O-ND2 2.76Å; F139-N141 WeakPolarHBondContact O-CB 3.41Å; F139-N141 PolarHBondContact O-N 3.05Å; F139-N141 PolarHBondContact O-ND2 2.96Å; N141-D143 PolarHBondContact O-N 3.33Å; N141-K155 WeakPolarHBondContact OD1-CE 3.38Å; N141-K155 PolarHBondContact OD1-NZ 2.94Å
142A56.2Low64.6Low43 Ų4390 Ų9036%0.35544%0.437SS..  trans-54.8132.6168.200000108.5F144 I145A142-F144 HydrophobicContact CB-CD1 3.5Å; A142-F144 HydrophobicContact CB-CE1 3.21Å; A142-F144 HydrophobicContact CB-CZ 4.02Å; A142-F144 PolarHBondContact O-N 3.34Å; A142-I145 PolarHBondContact O-N 3.45Å
143D54.8Low64.8Low99 Ų9992.1 Ų92.153%0.52946%0.455SS..Hα-helixtrans-54.7-24-171-77.7-33.5000113.9N141 S146 R147N141-D143 PolarHBondContact O-N 3.33Å; D143-S146 PolarHBondContact O-OG 3.49Å; D143-S146 VanDerWaalsContact O-OG 3.12Å; D143-R147 WeakPolarHBondContact O-CB 3.2Å; D143-R147 VanDerWaalsContact O-CD 3.3Å; D143-R147 WeakPolarHBondContact O-CD 3.32Å; D143-R147 WeakPolarHBondContact O-CG 3.32Å; D143-R147 PolarHBondContact O-N 3.05Å
144F58.4Low65.1Low140 Ų14088.4 Ų88.461%0.61445%0.45SS*.Hα-helixtrans-73.2-27.8176.772.7-95.1000113.7A142A142-F144 HydrophobicContact CB-CD1 3.5Å; A142-F144 HydrophobicContact CB-CE1 3.21Å; A142-F144 HydrophobicContact CB-CZ 4.02Å; A142-F144 PolarHBondContact O-N 3.34Å
145I60.2Low65.5Low38 Ų3883.7 Ų83.720%0.19543%0.427CS..Hα-helixtrans-79.7-42.4179-59.2-179.4000110.2A142 R147 N148 L151 S152 K155A142-I145 PolarHBondContact O-N 3.45Å; I145-R147 VanDerWaalsContact C-N 3.29Å; I145-R147 PolarHBondContact O-N 2.83Å; I145-N148 PolarHBondContact O-N 2.85Å; I145-L151 HydrophobicContact CG2-CB 4.14Å; I145-S152 PolarHBondContact O-OG 3.49Å; I145-K155 HydrophobicContact CG2-CD 4.15Å
146S59.8Low66.4Low30 Ų3079.7 Ų79.721%0.2142%0.416CS..Hα-helixtrans-66.8-30.4-179.758.30000112.5D143D143-S146 PolarHBondContact O-OG 3.49Å; D143-S146 VanDerWaalsContact O-OG 3.12Å
147R64.9Low67.9Low197 Ų19783.2 Ų83.274%0.74343%0.434SS*.THydrogen-bonded Turntrans-78.2-14.6176.9-68.9173.9-170.1-159.94.2114.2D143 I145D143-R147 WeakPolarHBondContact O-CB 3.2Å; D143-R147 VanDerWaalsContact O-CD 3.3Å; D143-R147 WeakPolarHBondContact O-CD 3.32Å; D143-R147 WeakPolarHBondContact O-CG 3.32Å; D143-R147 PolarHBondContact O-N 3.05Å; I145-R147 VanDerWaalsContact C-N 3.29Å; I145-R147 PolarHBondContact O-N 2.83Å
148N76.1Confident69.8Low63 Ų6380.4 Ų80.434%0.33741%0.412SS..  trans-107.2112.1-179.5-173.6-37.8000111.2I145 V150 L151 S152I145-N148 PolarHBondContact O-N 2.85Å; N148-V150 VanDerWaalsContact C-N 3.27Å; N148-V150 PolarHBondContact O-N 2.88Å; N148-V150 WeakPolarHBondContact OD1-CB 3.49Å; N148-V150 PolarHBondContact OD1-N 2.91Å; N148-L151 HydrophobicContact CB-CB 4.05Å; N148-L151 HydrophobicContact CB-CD1 3.91Å; N148-L151 HydrophobicContact CB-CG 4.03Å; N148-L151 PolarHBondContact O-N 3.1Å; N148-L151 PolarHBondContact OD1-N 3.33Å; N148-S152 WeakPolarHBondContact O-CB 3.45Å; N148-S152 PolarHBondContact O-N 3.31Å; N148-S152 PolarHBondContact O-OG 2.99Å
149P75.7Confident71.8Confident82 Ų8271.3 Ų71.353%0.53238%0.378SS..Hα-helixtrans-58.5-34.1-177.7-25.834.3000114.4A153P149-A153 WeakPolarHBondContact O-CB 3.42Å; P149-A153 PolarHBondContact O-N 2.85Å
150V80.2Confident74.2Confident101 Ų10169.6 Ų69.661%0.61238%0.376SS*.Hα-helixtrans-73.6-47.1-179.4178.30000110.3N148 S152 A153 V154N148-V150 VanDerWaalsContact C-N 3.27Å; N148-V150 PolarHBondContact O-N 2.88Å; N148-V150 WeakPolarHBondContact OD1-CB 3.49Å; N148-V150 PolarHBondContact OD1-N 2.91Å; V150-S152 VanDerWaalsContact C-N 3.28Å; V150-S152 PolarHBondContact O-N 3.05Å; V150-A153 WeakPolarHBondContact O-CB 3.35Å; V150-A153 PolarHBondContact O-N 3.34Å; V150-A153 VanDerWaalsContact O-N 3.14Å; V150-V154 WeakPolarHBondContact O-CG2 3.22Å; V150-V154 PolarHBondContact O-N 2.74Å
151L79.7Confident76.6Confident74 Ų7467.6 Ų67.639%0.38736%0.364SS..Hα-helixtrans-64.3-36.6177.3-64.1178.7000111.7I145 N148 V154 K155I145-L151 HydrophobicContact CG2-CB 4.14Å; N148-L151 HydrophobicContact CB-CB 4.05Å; N148-L151 HydrophobicContact CB-CD1 3.91Å; N148-L151 HydrophobicContact CB-CG 4.03Å; N148-L151 PolarHBondContact O-N 3.1Å; N148-L151 PolarHBondContact OD1-N 3.33Å; L151-V154 PolarHBondContact O-N 3.44Å; L151-K155 WeakPolarHBondContact O-CB 3.41Å; L151-K155 PolarHBondContact O-N 3.13Å
152S78.9Confident78.9Confident7 Ų766.8 Ų66.85%0.04936%0.36CS..Hα-helixtrans-61.9-44171.7-710000111.9I145 N148 V150 K155 V156I145-S152 PolarHBondContact O-OG 3.49Å; N148-S152 WeakPolarHBondContact O-CB 3.45Å; N148-S152 PolarHBondContact O-N 3.31Å; N148-S152 PolarHBondContact O-OG 2.99Å; V150-S152 VanDerWaalsContact C-N 3.28Å; V150-S152 PolarHBondContact O-N 3.05Å; S152-K155 PolarHBondContact O-N 3.48Å; S152-V156 WeakPolarHBondContact O-CG2 3.46Å; S152-V156 PolarHBondContact O-N 3.42Å
153A84.2Confident80.8Confident56 Ų5665.2 Ų65.246%0.46335%0.347SS..Hα-helixtrans-63.8-42.7176.400000112.2P149 V150 K155 V156 L157P149-A153 WeakPolarHBondContact O-CB 3.42Å; P149-A153 PolarHBondContact O-N 2.85Å; V150-A153 WeakPolarHBondContact O-CB 3.35Å; V150-A153 PolarHBondContact O-N 3.34Å; V150-A153 VanDerWaalsContact O-N 3.14Å; A153-K155 VanDerWaalsContact C-N 3.33Å; A153-K155 PolarHBondContact O-N 3.5Å; A153-V156 PolarHBondContact O-N 3.37Å; A153-L157 PolarHBondContact O-N 3.09Å
154V87.6Confident82.9Confident77 Ų7765.5 Ų65.547%0.46735%0.348SS..Hα-helixtrans-61.2-42.4174.3172.40000110.9V150 L151 L157 Y158V150-V154 WeakPolarHBondContact O-CG2 3.22Å; V150-V154 PolarHBondContact O-N 2.74Å; L151-V154 PolarHBondContact O-N 3.44Å; V154-L157 PolarHBondContact O-N 3.08Å; V154-Y158 WeakPolarHBondContact O-CB 3.42Å; V154-Y158 PolarHBondContact O-N 3.01Å
155K87.6Confident84.8Confident30 Ų3062 Ų6213%0.1334%0.335CS..Hα-helixtrans-61.8-45.8176.4-172.9171.7-178.5169.30111.4V132 N140 N141 I145 L151 S152 A153 L157 Y158 Y159V132-K155 HydrophobicContact CG1-CG 4.02Å; N140-K155 PolarHBondContact O-NZ 3.47Å; N141-K155 WeakPolarHBondContact OD1-CE 3.38Å; N141-K155 PolarHBondContact OD1-NZ 2.94Å; I145-K155 HydrophobicContact CG2-CD 4.15Å; L151-K155 WeakPolarHBondContact O-CB 3.41Å; L151-K155 PolarHBondContact O-N 3.13Å; S152-K155 PolarHBondContact O-N 3.48Å; A153-K155 VanDerWaalsContact C-N 3.33Å; A153-K155 PolarHBondContact O-N 3.5Å; K155-L157 PolarHBondContact O-N 3.2Å; K155-Y158 PolarHBondContact O-N 3.38Å; K155-Y159 HydrophobicContact CD-CE2 4.41Å; K155-Y159 HydrophobicContact CG-CD2 3.86Å; K155-Y159 HydrophobicContact CG-CE2 3.9Å; K155-Y159 WeakPolarHBondContact O-CD2 3.22Å; K155-Y159 PolarHBondContact O-N 3.08Å
156V87.9Confident86.6Confident39 Ų3960.3 Ų60.324%0.23633%0.326CS..Hα-helixtrans-59.3-46.8175.8172.70000111V132 R133 S152 A153 Y158 Y159 C160V132-V156 HydrophobicContact CG1-CG2 3.89Å; R133-V156 HydrophobicContact CG-CG1 4.3Å; S152-V156 WeakPolarHBondContact O-CG2 3.46Å; S152-V156 PolarHBondContact O-N 3.42Å; A153-V156 PolarHBondContact O-N 3.37Å; V156-Y158 VanDerWaalsContact C-N 3.35Å; V156-Y158 PolarHBondContact O-N 2.8Å; V156-Y159 PolarHBondContact O-N 3.41Å; V156-C160 WeakPolarHBondContact O-CB 3.48Å; V156-C160 PolarHBondContact O-N 3.31Å; V156-C160 PolarHBondContact O-SG 3.38Å; V156-C160 VanDerWaalsContact O-SG 3.37Å
157L91.4Very high88.4Confident122 Ų12259.1 Ų59.164%0.63932%0.319SS*.Hα-helixtrans-59.8-45.3177.7179.662.2000111.6A153 V154 K155 C160 L161A153-L157 PolarHBondContact O-N 3.09Å; V154-L157 PolarHBondContact O-N 3.08Å; K155-L157 PolarHBondContact O-N 3.2Å; L157-C160 PolarHBondContact O-N 3.42Å; L157-L161 WeakPolarHBondContact O-CB 3.39Å; L157-L161 PolarHBondContact O-N 3.08Å
158Y93.8Very high89.9Confident33 Ų3354.5 Ų54.513%0.12931%0.308CS..Hα-helixtrans-57.9-49.4176.2166.7-101.9000111.9F69 L71 L72 V154 K155 V156 C160 L161 F162F69-Y158 HydrophobicContact CB-CE2 4.18Å; F69-Y158 HydrophobicContact CD1-CD1 4.3Å; F69-Y158 AromaticContact CD1-CD2 3.53Å; F69-Y158 HydrophobicContact CD1-CD2 3.53Å; F69-Y158 HydrophobicContact CD1-CE1 4.26Å; F69-Y158 AromaticContact CD1-CE2 3.45Å; F69-Y158 HydrophobicContact CD1-CE2 3.45Å; F69-Y158 VanDerWaalsContact CD1-CE2 3.45Å; F69-Y158 AromaticContact CD1-CG 3.96Å; F69-Y158 HydrophobicContact CD1-CG 3.96Å; F69-Y158 AromaticContact CD1-CZ 3.83Å; F69-Y158 AromaticContact CE1-CD2 3.88Å; F69-Y158 HydrophobicContact CE1-CD2 3.88Å; F69-Y158 HydrophobicContact CE1-CE2 4.27Å; F69-Y158 HydrophobicContact CE1-CG 4.07Å; F69-Y158 HydrophobicContact CG-CE2 4.25Å; F69-Y158 PolarHBondContact O-OH 3.32Å; L71-Y158 WeakPolarHBondContact CB-OH 3.24Å; L72-Y158 HydrophobicContact CB-CE2 3.84Å; L72-Y158 WeakPolarHBondContact CB-OH 3.14Å; L72-Y158 HydrophobicContact CD2-CE2 4.28Å; L72-Y158 PolarHBondContact N-OH 3.17Å; V154-Y158 WeakPolarHBondContact O-CB 3.42Å; V154-Y158 PolarHBondContact O-N 3.01Å; K155-Y158 PolarHBondContact O-N 3.38Å; V156-Y158 VanDerWaalsContact C-N 3.35Å; V156-Y158 PolarHBondContact O-N 2.8Å; Y158-C160 PolarHBondContact O-N 3.06Å; Y158-L161 PolarHBondContact O-N 2.97Å; Y158-F162 VanDerWaalsContact O-CB 3.24Å; Y158-F162 WeakPolarHBondContact O-CB 3.28Å; Y158-F162 PolarHBondContact O-N 3.01Å
159Y93.9Very high91Very high25 Ų2551.8 Ų51.810%0.09830%0.295CS..Hα-helixtrans-65.4-38.7179.8-90.7-99.2000112.3L71 V124 M128 L129 V132 K155 V156 A163L71-Y159 HydrophobicContact CD1-CE1 3.92Å; V124-Y159 HydrophobicContact CG2-CD1 4.27Å; M128-Y159 HydrophobicContact CE-CE1 4.02Å; L129-Y159 HydrophobicContact CD2-CD1 4.13Å; L129-Y159 HydrophobicContact CD2-CG 4.48Å; V132-Y159 HydrophobicContact CB-CG 4.47Å; V132-Y159 HydrophobicContact CG1-CD2 4.08Å; V132-Y159 HydrophobicContact CG1-CG 4.17Å; V132-Y159 HydrophobicContact CG2-CD1 4.05Å; V132-Y159 HydrophobicContact CG2-CD2 4.12Å; V132-Y159 HydrophobicContact CG2-CE1 4.04Å; V132-Y159 HydrophobicContact CG2-CE2 4.16Å; V132-Y159 HydrophobicContact CG2-CG 4.08Å; K155-Y159 HydrophobicContact CD-CE2 4.41Å; K155-Y159 HydrophobicContact CG-CD2 3.86Å; K155-Y159 HydrophobicContact CG-CE2 3.9Å; K155-Y159 WeakPolarHBondContact O-CD2 3.22Å; K155-Y159 PolarHBondContact O-N 3.08Å; V156-Y159 PolarHBondContact O-N 3.41Å; Y159-A163 VanDerWaalsContact O-CB 3.23Å; Y159-A163 WeakPolarHBondContact O-CB 3.47Å; Y159-A163 PolarHBondContact O-N 2.92Å
160C93.4Very high92Very high45 Ų4547.9 Ų47.930%0.30427%0.27SS..Hα-helixtrans-64.6-45.3175-74.40000112V156 L157 Y158 A163 L164V156-C160 WeakPolarHBondContact O-CB 3.48Å; V156-C160 PolarHBondContact O-N 3.31Å; V156-C160 PolarHBondContact O-SG 3.38Å; V156-C160 VanDerWaalsContact O-SG 3.37Å; L157-C160 PolarHBondContact O-N 3.42Å; Y158-C160 PolarHBondContact O-N 3.06Å; C160-A163 PolarHBondContact O-N 2.84Å; C160-L164 PolarHBondContact O-N 2.89Å; C160-L164 VanDerWaalsContact O-N 3.1Å
161L95.8Very high92.8Very high99 Ų9944.9 Ų44.952%0.51825%0.253SS..Hα-helixtrans-65.3-44.2177-179.463.4000111.1L157 Y158 A163 L164 L165L157-L161 WeakPolarHBondContact O-CB 3.39Å; L157-L161 PolarHBondContact O-N 3.08Å; Y158-L161 PolarHBondContact O-N 2.97Å; L161-A163 PolarHBondContact O-N 3.33Å; L161-L164 WeakPolarHBondContact O-CB 3.47Å; L161-L164 PolarHBondContact O-N 3.1Å; L161-L165 HydrophobicContact CG-CD1 4.38Å; L161-L165 WeakPolarHBondContact O-CG 3.36Å; L161-L165 PolarHBondContact O-N 3.06Å
162F96.9Very high93.6Very high3 Ų341.9 Ų41.91%0.01324%0.238CC..Hα-helixtrans-62.3-43.7177.7-176.2-94.3000111.6L71 L72 S75 F102 T123 V124 Y158 L164 L165 Y166L71-F162 HydrophobicContact CB-CD1 4.34Å; L71-F162 HydrophobicContact CB-CD2 4.32Å; L71-F162 HydrophobicContact CB-CE1 3.9Å; L71-F162 HydrophobicContact CB-CE2 3.88Å; L71-F162 HydrophobicContact CB-CZ 3.65Å; L71-F162 HydrophobicContact CD1-CD1 4.24Å; L71-F162 HydrophobicContact CD1-CE1 4.17Å; L72-F162 HydrophobicContact CB-CD2 4.34Å; S75-F162 WeakPolarHBondContact OG-CE2 3.4Å; S75-F162 WeakPolarHBondContact OG-CZ 3.46Å; F102-F162 HydrophobicContact CE2-CE2 4.17Å; F102-F162 HydrophobicContact CE2-CZ 4.04Å; F102-F162 HydrophobicContact CZ-CE2 4.17Å; F102-F162 HydrophobicContact CZ-CZ 4.42Å; T123-F162 HydrophobicContact CG2-CE1 4.05Å; T123-F162 HydrophobicContact CG2-CZ 3.92Å; V124-F162 HydrophobicContact CB-CD1 4.19Å; V124-F162 HydrophobicContact CB-CE1 4.14Å; V124-F162 HydrophobicContact CG1-CD1 3.96Å; V124-F162 HydrophobicContact CG1-CE1 3.98Å; Y158-F162 VanDerWaalsContact O-CB 3.24Å; Y158-F162 WeakPolarHBondContact O-CB 3.28Å; Y158-F162 PolarHBondContact O-N 3.01Å; F162-L164 VanDerWaalsContact C-N 3.29Å; F162-L164 PolarHBondContact O-N 3.37Å; F162-L165 PolarHBondContact O-N 3.19Å; F162-Y166 VanDerWaalsContact O-CB 3.29Å; F162-Y166 WeakPolarHBondContact O-CB 3.37Å; F162-Y166 PolarHBondContact O-N 3.35Å
163A96.5Very high94.5Very high9 Ų941.5 Ų41.57%0.07424%0.236CC..Hα-helixtrans-60.6-37.8175.800000112.5V124 L129 Y159 C160 L161 G167 L190V124-A163 HydrophobicContact CG1-CB 4.3Å; L129-A163 HydrophobicContact CD1-CB 3.85Å; L129-A163 HydrophobicContact CD2-CB 4.1Å; Y159-A163 VanDerWaalsContact O-CB 3.23Å; Y159-A163 WeakPolarHBondContact O-CB 3.47Å; Y159-A163 PolarHBondContact O-N 2.92Å; C160-A163 PolarHBondContact O-N 2.84Å; L161-A163 PolarHBondContact O-N 3.33Å; A163-G167 PolarHBondContact O-N 3.38Å; A163-L190 HydrophobicContact CB-CD2 4.09Å
164L97.4Very high95.2Very high106 Ų10640.1 Ų40.156%0.55522%0.22SC*.Hα-helixtrans-62.7-49.6172.918069.2000111.2C160 L161 F162 Y166 G167 L168C160-L164 PolarHBondContact O-N 2.89Å; C160-L164 VanDerWaalsContact O-N 3.1Å; L161-L164 WeakPolarHBondContact O-CB 3.47Å; L161-L164 PolarHBondContact O-N 3.1Å; F162-L164 VanDerWaalsContact C-N 3.29Å; F162-L164 PolarHBondContact O-N 3.37Å; L164-Y166 PolarHBondContact O-N 3.03Å; L164-G167 PolarHBondContact O-N 3.34Å; L164-L168 HydrophobicContact CG-CD1 4.31Å; L164-L168 WeakPolarHBondContact O-CG 3.24Å; L164-L168 PolarHBondContact O-N 3.48Å
165L98Very high95.6Very high66 Ų6637.3 Ų37.335%0.34620%0.203SC..Hα-helixtrans-62.4-42.2179.3-67.3175.1000112.1F102 L161 F162 L168 A169F102-L165 HydrophobicContact CE1-CB 4.08Å; F102-L165 HydrophobicContact CZ-CB 4.02Å; L161-L165 HydrophobicContact CG-CD1 4.38Å; L161-L165 WeakPolarHBondContact O-CG 3.36Å; L161-L165 PolarHBondContact O-N 3.06Å; F162-L165 PolarHBondContact O-N 3.19Å; L165-L168 PolarHBondContact O-N 3.18Å; L165-A169 WeakPolarHBondContact O-CB 3.46Å; L165-A169 PolarHBondContact O-N 2.71Å
166Y98.1Very high96.1Very high3 Ų335.9 Ų35.91%0.01220%0.197CC..Hα-helixtrans-61.7-44.3175.1176-114.6000111.5A101 F102 P122 T123 V124 F162 L164 A169 G170 L190 W191A101-Y166 HydrophobicContact CB-CD2 4.06Å; A101-Y166 HydrophobicContact CB-CE2 3.65Å; F102-Y166 HydrophobicContact CE2-CD2 4.06Å; P122-Y166 VanDerWaalsContact CA-OH 3.29Å; P122-Y166 WeakPolarHBondContact CA-OH 3.4Å; P122-Y166 HydrophobicContact CB-CE1 4.31Å; P122-Y166 WeakPolarHBondContact CB-OH 3.44Å; T123-Y166 PolarHBondContact N-OH 3.07Å; T123-Y166 WeakPolarHBondContact OG1-CE2 3.19Å; V124-Y166 HydrophobicContact CG1-CD1 3.53Å; V124-Y166 HydrophobicContact CG1-CE1 4.13Å; V124-Y166 HydrophobicContact CG1-CG 3.99Å; F162-Y166 VanDerWaalsContact O-CB 3.29Å; F162-Y166 WeakPolarHBondContact O-CB 3.37Å; F162-Y166 PolarHBondContact O-N 3.35Å; L164-Y166 PolarHBondContact O-N 3.03Å; Y166-A169 PolarHBondContact O-N 3.34Å; Y166-G170 PolarHBondContact O-N 3.27Å; Y166-L190 HydrophobicContact CD1-CD1 4.2Å; Y166-L190 HydrophobicContact CE1-CD1 4.05Å; Y166-W191 AromaticContact CD1-NE1 3.48Å; Y166-W191 AromaticContact CE1-CD1 3.89Å; Y166-W191 AromaticContact CE1-CE2 3.99Å; Y166-W191 HydrophobicContact CE1-CZ2 4.39Å; Y166-W191 AromaticContact CE1-NE1 3.04Å; Y166-W191 AromaticContact CE2-CZ2 3.92Å; Y166-W191 HydrophobicContact CE2-CZ2 3.92Å; Y166-W191 AromaticContact CE2-NE1 3.82Å; Y166-W191 AromaticContact CZ-CE2 3.74Å; Y166-W191 AromaticContact CZ-CZ2 3.67Å; Y166-W191 AromaticContact CZ-NE1 3.23Å; Y166-W191 WeakPolarHBondContact OH-CZ2 3.49Å
167G97.8Very high96.6Very high5 Ų534 Ų345%0.05219%0.186CC..Hα-helixtrans-59.6-45.3174.300000112.8A163 L164 S171 L190A163-G167 PolarHBondContact O-N 3.38Å; L164-G167 PolarHBondContact O-N 3.34Å; G167-S171 VanDerWaalsContact O-CB 3.26Å; G167-S171 WeakPolarHBondContact O-CB 3.05Å; G167-S171 PolarHBondContact O-N 3.46Å; G167-S171 PolarHBondContact O-OG 2.88Å; G167-L190 VanDerWaalsContact CA-O 3.27Å; G167-L190 WeakPolarHBondContact CA-O 3.42Å
168L98Very high96.9Very high99 Ų9928.2 Ų28.252%0.51816%0.155SC..Hα-helixtrans-62.1-48.3176.7-69.6172000111.6L164 L165 S171 C172L164-L168 HydrophobicContact CG-CD1 4.31Å; L164-L168 WeakPolarHBondContact O-CG 3.24Å; L164-L168 PolarHBondContact O-N 3.48Å; L165-L168 PolarHBondContact O-N 3.18Å; L168-S171 PolarHBondContact O-N 2.71Å; L168-S171 PolarHBondContact O-OG 3.25Å; L168-C172 PolarHBondContact O-SG 3.45Å
169A98.1Very high97Very high7 Ų727 Ų276%0.05815%0.151CC..Hα-helixtrans-61.7-47179.200000112.1F102 P105 L165 Y166 S171 C172F102-A169 HydrophobicContact CD1-CB 3.99Å; F102-A169 HydrophobicContact CD2-CB 4.46Å; F102-A169 HydrophobicContact CE1-CB 4.2Å; F102-A169 HydrophobicContact CG-CB 4.13Å; P105-A169 HydrophobicContact CG-CB 4.28Å; L165-A169 WeakPolarHBondContact O-CB 3.46Å; L165-A169 PolarHBondContact O-N 2.71Å; Y166-A169 PolarHBondContact O-N 3.34Å; A169-S171 PolarHBondContact O-N 2.77Å; A169-C172 VanDerWaalsContact O-CB 3.28Å; A169-C172 WeakPolarHBondContact O-CB 3.21Å; A169-C172 PolarHBondContact O-N 3.24Å; A169-C172 PolarHBondContact O-SG 3.38Å
170G97.4Very high97.2Very high0 Ų025.9 Ų25.90%015%0.147CC..Hα-helixtrans-64.3-37.2177.700000113.9Y166 C172 S173 W191Y166-G170 PolarHBondContact O-N 3.27Å; G170-C172 PolarHBondContact O-N 3.05Å; G170-S173 WeakPolarHBondContact O-CB 3.49Å; G170-S173 PolarHBondContact O-N 2.82Å; G170-W191 VanDerWaalsContact CA-CD2 3.45Å
171S97.1Very high97.4Very high38 Ų3826.2 Ų26.227%0.26615%0.148SC..Hα-helixtrans-63.1-14.4179.376.70000114.3G167 L168 A169 S173 W191 R196G167-S171 VanDerWaalsContact O-CB 3.26Å; G167-S171 WeakPolarHBondContact O-CB 3.05Å; G167-S171 PolarHBondContact O-N 3.46Å; G167-S171 PolarHBondContact O-OG 2.88Å; L168-S171 PolarHBondContact O-N 2.71Å; L168-S171 PolarHBondContact O-OG 3.25Å; A169-S171 PolarHBondContact O-N 2.77Å; S171-S173 PolarHBondContact O-N 3.38Å; S171-W191 WeakPolarHBondContact CB-O 3.42Å; S171-R196 PolarHBondContact O-NH2 2.99Å
172C96.6Very high97.4Very high10 Ų1022.5 Ų22.57%0.06813%0.127CC..THydrogen-bonded Turntrans-67.1-21.8173.7-61.90000113L104 R108 V115 L168 A169 G170 D174L104-C172 HydrophobicContact CB-CB 4.37Å; R108-C172 WeakPolarHBondContact CD-O 3.49Å; R108-C172 PolarHBondContact NH1-O 3.49Å; V115-C172 WeakPolarHBondContact CG2-O 3.44Å; L168-C172 PolarHBondContact O-SG 3.45Å; A169-C172 VanDerWaalsContact O-CB 3.28Å; A169-C172 WeakPolarHBondContact O-CB 3.21Å; A169-C172 PolarHBondContact O-N 3.24Å; A169-C172 PolarHBondContact O-SG 3.38Å; G170-C172 PolarHBondContact O-N 3.05Å; C172-D174 PolarHBondContact O-N 3.24Å
173S97.3Very high97.4Very high0 Ų022.3 Ų22.30%013%0.126CC..  trans-61.2130.5-179.6-151.50000111.7A116 S117 G170 S171 V175 R196A116-S173 WeakPolarHBondContact CA-OG 3.46Å; S117-S173 PolarHBondContact N-OG 3.11Å; S117-S173 PolarHBondContact OG-OG 3.08Å; G170-S173 WeakPolarHBondContact O-CB 3.49Å; G170-S173 PolarHBondContact O-N 2.82Å; S171-S173 PolarHBondContact O-N 3.38Å; S173-V175 PolarHBondContact OG-O 2.67Å; S173-R196 VanDerWaalsContact O-CZ 3.23Å; S173-R196 PolarHBondContact O-NH1 3.11Å
174D97.8Very high97.4Very high27 Ų2723.6 Ų23.614%0.14413%0.131CC..SBendtrans-74.6-31.7173.6-61.9-66000111.7R108 K114 V115 C172 R196 L438R108-D174 IonicContact CZ-OD1 3.61Å; R108-D174 IonicContact NH1-OD1 2.79Å; R108-D174 PolarHBondContact NH1-OD1 2.79Å; R108-D174 IonicContact NH1-OD2 2.95Å; R108-D174 PolarHBondContact NH1-OD2 2.82Å; R108-D174 IonicContact NH2-OD1 3.52Å; K114-D174 WeakPolarHBondContact CA-OD2 3.43Å; V115-D174 PolarHBondContact N-OD2 2.88Å; V115-D174 WeakPolarHBondContact O-CA 3.43Å; V115-D174 WeakPolarHBondContact O-CB 3.41Å; V115-D174 PolarHBondContact O-N 2.71Å; C172-D174 PolarHBondContact O-N 3.24Å; D174-R196 VanDerWaalsContact O-CD 3.3Å; D174-R196 WeakPolarHBondContact O-CD 3.48Å; D174-L438 HydrophobicContact CB-CD1 4.08Å; D174-L438 HydrophobicContact CB-CD2 4.24Å
175V97.7Very high97.4Very high17 Ų1720.6 Ų20.610%0.10313%0.126CC..EExtended strand (participates in β ladder)trans-134.7135.8173.2173.40000108.8A116 S117 S173 M177 A434 L438A116-V175 VanDerWaalsContact CA-O 3.29Å; A116-V175 WeakPolarHBondContact CA-O 3.3Å; A116-V175 HydrophobicContact CB-CB 4.17Å; S117-V175 PolarHBondContact N-O 3.04Å; S173-V175 PolarHBondContact OG-O 2.67Å; V175-M177 HydrophobicContact CG1-CE 4.43Å; V175-M177 HydrophobicContact CG1-CG 4.26Å; V175-A434 HydrophobicContact CG1-CB 4.39Å; V175-A434 WeakPolarHBondContact CG1-O 3.38Å; V175-L438 HydrophobicContact CG2-CB 4.23Å; V175-L438 HydrophobicContact CG2-CD2 4.05Å
176V98.1Very high97.3Very high0 Ų017.8 Ų17.80%011%0.111CC..EExtended strand (participates in β ladder)trans-124.8117.3176.4-174.20000108.8V119 V178 I187 W191 R196 T197 S198V119-V176 HydrophobicContact CG2-CG1 4.47Å; V176-V178 HydrophobicContact CG1-CG1 4.22Å; V176-I187 HydrophobicContact CG1-CG2 3.92Å; V176-W191 HydrophobicContact CG1-CE3 4.01Å; V176-W191 HydrophobicContact CG1-CZ3 3.78Å; V176-W191 HydrophobicContact CG2-CE3 3.98Å; V176-W191 HydrophobicContact CG2-CZ3 3.97Å; V176-R196 PolarHBondContact N-O 2.97Å; V176-T197 HydrophobicContact CB-CG2 4.07Å; V176-T197 HydrophobicContact CG1-CG2 3.96Å; V176-T197 CarbonylContact O-C 3.53Å; V176-T197 VanDerWaalsContact O-CA 3.25Å; V176-T197 WeakPolarHBondContact O-CA 3.08Å; V176-S198 PolarHBondContact O-N 2.9Å
177M98Very high97.3Very high0 Ų017.6 Ų17.60%011%0.11CC..EExtended strand (participates in β ladder)trans-104.2139.5172.4-65.5164.6-73.800108.1S117 Y118 V119 V175 S198 V200 F431 A434 T435S117-M177 PolarHBondContact O-N 3.31Å; Y118-M177 CarbonylContact C-O 3.34Å; Y118-M177 WeakPolarHBondContact CA-O 3.02Å; Y118-M177 HydrophobicContact CD2-CB 3.58Å; Y118-M177 HydrophobicContact CE2-CB 4.26Å; Y118-M177 HydrophobicContact CG-CB 4.28Å; V119-M177 PolarHBondContact N-O 3.08Å; V175-M177 HydrophobicContact CG1-CE 4.43Å; V175-M177 HydrophobicContact CG1-CG 4.26Å; M177-S198 CarbonylContact C-O 3.51Å; M177-S198 WeakPolarHBondContact CA-O 3.29Å; M177-V200 HydrophobicContact CB-CB 4.29Å; M177-V200 HydrophobicContact CB-CG2 3.89Å; M177-V200 HydrophobicContact CG-CG2 3.71Å; M177-V200 HydrophobicContact SD-CG2 4.17Å; M177-F431 HydrophobicContact CE-CD2 4.45Å; M177-F431 HydrophobicContact CE-CE1 3.99Å; M177-F431 HydrophobicContact CE-CE2 3.86Å; M177-F431 HydrophobicContact CE-CZ 3.62Å; M177-F431 HydrophobicContact SD-CD1 4.04Å; M177-F431 HydrophobicContact SD-CD2 3.76Å; M177-F431 HydrophobicContact SD-CE1 4.09Å; M177-F431 HydrophobicContact SD-CE2 3.78Å; M177-F431 HydrophobicContact SD-CG 3.91Å; M177-F431 HydrophobicContact SD-CZ 3.96Å; M177-A434 HydrophobicContact CG-CB 3.77Å; M177-A434 HydrophobicContact SD-CB 3.79Å; M177-T435 HydrophobicContact CE-CG2 3.97Å; M177-T435 HydrophobicContact SD-CG2 4.12Å
178V97.4Very high97.3Very high0 Ų020.3 Ų20.30%012%0.123CC..EExtended strand (participates in β ladder)trans-128.6145.4177.2-60.70000110.4V119 V176 S180 T183 L184 I187 T197 S198 V199 V200V119-V178 HydrophobicContact CB-CG1 4.32Å; V119-V178 WeakPolarHBondContact O-CA 3.33Å; V176-V178 HydrophobicContact CG1-CG1 4.22Å; V178-S180 VanDerWaalsContact C-N 3.31Å; V178-S180 PolarHBondContact O-N 3.38Å; V178-T183 HydrophobicContact CB-CG2 3.84Å; V178-T183 HydrophobicContact CG1-CG2 4.02Å; V178-L184 HydrophobicContact CG2-CB 3.69Å; V178-L184 HydrophobicContact CG2-CD1 3.84Å; V178-L184 HydrophobicContact CG2-CG 4.37Å; V178-I187 HydrophobicContact CG1-CB 4.15Å; V178-I187 HydrophobicContact CG1-CG1 3.9Å; V178-I187 HydrophobicContact CG1-CG2 4.3Å; V178-T197 HydrophobicContact CG1-CG2 4.12Å; V178-S198 WeakPolarHBondContact CG2-O 3.27Å; V178-S198 PolarHBondContact N-O 2.97Å; V178-V199 HydrophobicContact CG2-CB 4.48Å; V178-V199 HydrophobicContact CG2-CG2 4.01Å; V178-V199 CarbonylContact O-C 3.54Å; V178-V199 WeakPolarHBondContact O-CA 3.49Å; V178-V200 PolarHBondContact O-N 3.12Å
179N95.8Very high97.3Very high9 Ų918.1 Ų18.15%0.04812%0.119CC..SBendtrans-79.4-6.2-171.973.8-31.2000115.7Y118 V119 H120 T183 V200 P202Y118-N179 HydrophobicContact CE2-CB 4.21Å; V119-N179 PolarHBondContact O-N 3.22Å; V119-N179 VanDerWaalsContact O-N 3.11Å; V119-N179 PolarHBondContact O-OD1 3.29Å; H120-N179 PolarHBondContact O-ND2 3.33Å; H120-N179 VanDerWaalsContact O-ND2 3.17Å; H120-N179 PolarHBondContact O-OD1 3.32Å; N179-T183 WeakPolarHBondContact OD1-CB 3.49Å; N179-T183 PolarHBondContact OD1-OG1 3.3Å; N179-V200 WeakPolarHBondContact CA-O 3.32Å; N179-P202 VanDerWaalsContact O-CD 3.31Å; N179-P202 WeakPolarHBondContact O-CD 3.39Å
180S97Very high97.3Very high0 Ų018.8 Ų18.80%012%0.122CC..SBendtrans-164.5164.5-176.570.40000112V178 W182 T183 L184 H347 D373V178-S180 VanDerWaalsContact C-N 3.31Å; V178-S180 PolarHBondContact O-N 3.38Å; S180-W182 VanDerWaalsContact C-N 3.25Å; S180-W182 PolarHBondContact O-N 2.96Å; S180-W182 PolarHBondContact OG-N 3.23Å; S180-T183 PolarHBondContact O-N 2.84Å; S180-T183 PolarHBondContact OG-N 2.98Å; S180-T183 PolarHBondContact OG-OG1 3.24Å; S180-T183 VanDerWaalsContact OG-OG1 3.13Å; S180-L184 WeakPolarHBondContact O-CB 3.21Å; S180-L184 PolarHBondContact O-N 2.99Å; S180-H347 WeakPolarHBondContact CB-O 3.04Å; S180-H347 PolarHBondContact OG-O 3.25Å; S180-D373 WeakPolarHBondContact CB-OD2 3.34Å
181T97.7Very high97.3Very high53 Ų5319 Ų1933%0.32512%0.123SC..Hα-helixtrans-64.8-32.3172.5-61.40000111.5L184 G185 L372 D373T181-L184 WeakPolarHBondContact O-CB 3.5Å; T181-L184 PolarHBondContact O-N 3.01Å; T181-G185 PolarHBondContact O-N 3.12Å; T181-G185 VanDerWaalsContact O-N 3.1Å; T181-L372 HydrophobicContact CG2-CB 4.32Å; T181-L372 HydrophobicContact CG2-CD1 4.26Å; T181-D373 WeakPolarHBondContact CB-OD1 3.39Å; T181-D373 PolarHBondContact N-OD1 3.2Å; T181-D373 PolarHBondContact N-OD2 3.08Å; T181-D373 VanDerWaalsContact N-OD2 3.08Å; T181-D373 PolarHBondContact OG1-OD1 3.27Å
182W96.2Very high97.2Very high20 Ų2027.2 Ų27.28%0.07615%0.148CC..Hα-helixtrans-62.4-49.3173.7-177.583.8000111.5Y121 P122 D127 S180 L184 G185 H186 N345 H347 L372Y121-W182 HydrophobicContact CE2-CH2 4.43Å; P122-W182 HydrophobicContact CG-CZ3 4.44Å; D127-W182 VanDerWaalsContact OD2-CZ2 3.25Å; D127-W182 WeakPolarHBondContact OD2-CZ2 3.1Å; D127-W182 PolarHBondContact OD2-NE1 3.48Å; S180-W182 VanDerWaalsContact C-N 3.25Å; S180-W182 PolarHBondContact O-N 2.96Å; S180-W182 PolarHBondContact OG-N 3.23Å; W182-L184 VanDerWaalsContact C-N 3.3Å; W182-L184 PolarHBondContact O-N 3.08Å; W182-G185 PolarHBondContact O-N 2.98Å; W182-H186 AromaticContact CD2-CD2 3.62Å; W182-H186 AromaticContact CD2-NE2 3.65Å; W182-H186 AromaticContact CE2-CD2 3.5Å; W182-H186 AromaticContact CE2-NE2 3.04Å; W182-H186 AromaticContact CE3-CD2 3.74Å; W182-H186 AromaticContact CH2-CD2 3.66Å; W182-H186 AromaticContact CH2-NE2 3.67Å; W182-H186 AromaticContact CZ2-CD2 3.55Å; W182-H186 AromaticContact CZ2-NE2 3.08Å; W182-H186 WeakPolarHBondContact CZ2-NE2 3.32Å; W182-H186 AromaticContact CZ3-CD2 3.74Å; W182-H186 AromaticContact NE1-NE2 3.31Å; W182-H186 PolarHBondContact NE1-NE2 3.25Å; W182-H186 PolarHBondContact O-CD2 3.19Å; W182-H186 PolarHBondContact O-N 3.13Å; W182-N345 HydrophobicContact CZ2-CB 3.9Å; W182-N345 PolarHBondContact NE1-OD1 2.95Å; W182-H347 HydrophobicContact CE3-CB 4.04Å; W182-H347 AromaticContact CE3-CD2 3.89Å; W182-H347 AromaticContact CH2-CD2 3.48Å; W182-H347 VanDerWaalsContact CH2-CD2 3.48Å; W182-H347 WeakPolarHBondContact CH2-CD2 3.33Å; W182-H347 HydrophobicContact CZ3-CB 4.06Å; W182-H347 AromaticContact CZ3-CD2 3.2Å; W182-H347 WeakPolarHBondContact CZ3-CD2 3.39Å; W182-H347 AromaticContact CZ3-CG 3.78Å; W182-L372 HydrophobicContact CB-CD1 3.95Å
183T96.8Very high97.2Very high0 Ų027.1 Ų27.10%015%0.147CC..Hα-helixtrans-63.9-38.4178.1-59.20000111V119 V178 N179 S180 G185 H186 I187V119-T183 HydrophobicContact CB-CG2 4.32Å; V119-T183 HydrophobicContact CG1-CG2 3.99Å; V178-T183 HydrophobicContact CB-CG2 3.84Å; V178-T183 HydrophobicContact CG1-CG2 4.02Å; N179-T183 WeakPolarHBondContact OD1-CB 3.49Å; N179-T183 PolarHBondContact OD1-OG1 3.3Å; S180-T183 PolarHBondContact O-N 2.84Å; S180-T183 PolarHBondContact OG-N 2.98Å; S180-T183 PolarHBondContact OG-OG1 3.24Å; S180-T183 VanDerWaalsContact OG-OG1 3.13Å; T183-G185 PolarHBondContact O-N 2.93Å; T183-H186 PolarHBondContact O-N 2.93Å; T183-I187 HydrophobicContact CG2-CG1 4.19Å; T183-I187 WeakPolarHBondContact O-CG1 3.32Å; T183-I187 PolarHBondContact O-N 3.35Å
184L97.8Very high97.1Very high36 Ų3631.4 Ų31.419%0.18818%0.175CC..Hα-helixtrans-53-51173.7-176.967.6000111.6V178 S180 T181 W182 H186 I187 L188 T197 V199V178-L184 HydrophobicContact CG2-CB 3.69Å; V178-L184 HydrophobicContact CG2-CD1 3.84Å; V178-L184 HydrophobicContact CG2-CG 4.37Å; S180-L184 WeakPolarHBondContact O-CB 3.21Å; S180-L184 PolarHBondContact O-N 2.99Å; T181-L184 WeakPolarHBondContact O-CB 3.5Å; T181-L184 PolarHBondContact O-N 3.01Å; W182-L184 VanDerWaalsContact C-N 3.3Å; W182-L184 PolarHBondContact O-N 3.08Å; L184-H186 VanDerWaalsContact C-N 3.3Å; L184-H186 PolarHBondContact O-N 2.92Å; L184-I187 PolarHBondContact O-N 3.27Å; L184-L188 HydrophobicContact CD1-CD1 3.96Å; L184-L188 HydrophobicContact CD1-CD2 4.32Å; L184-L188 HydrophobicContact CD1-CG 3.93Å; L184-L188 HydrophobicContact CD2-CD1 4.33Å; L184-L188 HydrophobicContact CG-CD1 3.8Å; L184-L188 HydrophobicContact CG-CG 4.11Å; L184-L188 WeakPolarHBondContact O-CB 3.35Å; L184-L188 VanDerWaalsContact O-CG 3.28Å; L184-L188 WeakPolarHBondContact O-CG 3.46Å; L184-L188 PolarHBondContact O-N 2.91Å; L184-T197 HydrophobicContact CD1-CG2 3.49Å; L184-T197 VanDerWaalsContact CD1-CG2 3.49Å; L184-V199 HydrophobicContact CB-CG2 4.19Å; L184-V199 HydrophobicContact CD1-CG2 4.44Å; L184-V199 HydrophobicContact CD2-CG2 3.81Å; L184-V199 HydrophobicContact CG-CG2 4.36Å
185G96.9Very high97Very high42 Ų4234 Ų3443%0.43321%0.208SC..Hα-helixtrans-56.1-43.5-17900000112.9T181 W182 T183 A189T181-G185 PolarHBondContact O-N 3.12Å; T181-G185 VanDerWaalsContact O-N 3.1Å; W182-G185 PolarHBondContact O-N 2.98Å; T183-G185 PolarHBondContact O-N 2.93Å; G185-A189 WeakPolarHBondContact O-CB 3.47Å; G185-A189 PolarHBondContact O-N 2.77Å; G185-A189 VanDerWaalsContact O-N 3.12Å
186H96.8Very high96.9Very high7 Ų738 Ų383%0.03222%0.222CC..Hα-helixtrans-66.9-45.3177.9-69.8-60000112.7P122 T126 D127 W182 T183 L184 A189 L190P122-H186 HydrophobicContact CG-CB 4.15Å; T126-H186 PolarHBondContact N-ND1 3.43Å; T126-H186 PolarHBondContact OG1-CE1 2.8Å; T126-H186 PolarHBondContact OG1-ND1 2.91Å; D127-H186 IonicContact OD2-CE1 3.08Å; D127-H186 PolarHBondContact OD2-CE1 2.95Å; D127-H186 IonicContact OD2-NE2 3.03Å; D127-H186 PolarHBondContact OD2-NE2 3.38Å; W182-H186 AromaticContact CD2-CD2 3.62Å; W182-H186 AromaticContact CD2-NE2 3.65Å; W182-H186 AromaticContact CE2-CD2 3.5Å; W182-H186 AromaticContact CE2-NE2 3.04Å; W182-H186 AromaticContact CE3-CD2 3.74Å; W182-H186 AromaticContact CH2-CD2 3.66Å; W182-H186 AromaticContact CH2-NE2 3.67Å; W182-H186 AromaticContact CZ2-CD2 3.55Å; W182-H186 AromaticContact CZ2-NE2 3.08Å; W182-H186 WeakPolarHBondContact CZ2-NE2 3.32Å; W182-H186 AromaticContact CZ3-CD2 3.74Å; W182-H186 AromaticContact NE1-NE2 3.31Å; W182-H186 PolarHBondContact NE1-NE2 3.25Å; W182-H186 PolarHBondContact O-CD2 3.19Å; W182-H186 PolarHBondContact O-N 3.13Å; T183-H186 PolarHBondContact O-N 2.93Å; L184-H186 VanDerWaalsContact C-N 3.3Å; L184-H186 PolarHBondContact O-N 2.92Å; H186-A189 PolarHBondContact O-N 3.05Å; H186-L190 WeakPolarHBondContact O-CB 3.23Å; H186-L190 VanDerWaalsContact O-CG 3.26Å; H186-L190 WeakPolarHBondContact O-CG 3.23Å; H186-L190 PolarHBondContact O-N 3.19Å
187I97.8Very high96.9Very high0 Ų039 Ų390%023%0.228CC..Hα-helixtrans-66.4-42179.9-68.5-54.7000111.3V119 P122 V176 V178 T183 L184 A189 L190 W191 T197V119-I187 HydrophobicContact CG1-CD1 4.13Å; V119-I187 HydrophobicContact CG1-CG1 4.35Å; V119-I187 HydrophobicContact CG2-CD1 4.4Å; P122-I187 HydrophobicContact CB-CD1 4.07Å; V176-I187 HydrophobicContact CG1-CG2 3.92Å; V178-I187 HydrophobicContact CG1-CB 4.15Å; V178-I187 HydrophobicContact CG1-CG1 3.9Å; V178-I187 HydrophobicContact CG1-CG2 4.3Å; T183-I187 HydrophobicContact CG2-CG1 4.19Å; T183-I187 WeakPolarHBondContact O-CG1 3.32Å; T183-I187 PolarHBondContact O-N 3.35Å; L184-I187 PolarHBondContact O-N 3.27Å; I187-A189 VanDerWaalsContact C-N 3.32Å; I187-A189 PolarHBondContact O-N 2.91Å; I187-L190 PolarHBondContact O-N 3.36Å; I187-W191 HydrophobicContact CD1-CD2 3.92Å; I187-W191 HydrophobicContact CD1-CE3 4.47Å; I187-W191 HydrophobicContact CD1-CG 4.3Å; I187-W191 HydrophobicContact CD1-CH2 4.49Å; I187-W191 HydrophobicContact CD1-CZ2 3.93Å; I187-W191 HydrophobicContact CG2-CB 4.2Å; I187-W191 HydrophobicContact CG2-CD2 3.94Å; I187-W191 HydrophobicContact CG2-CE3 3.9Å; I187-W191 HydrophobicContact CG2-CG 4.09Å; I187-W191 WeakPolarHBondContact O-CA 3.24Å; I187-W191 VanDerWaalsContact O-CB 3.32Å; I187-W191 WeakPolarHBondContact O-CB 3.37Å; I187-W191 PolarHBondContact O-N 3.14Å; I187-T197 HydrophobicContact CG2-CG2 4.09Å
188L97.6Very high96.9Very high61 Ų6141.1 Ų41.132%0.31924%0.242SC..Hα-helixtrans-61.8-41.1175.7-68.8-176.6000112L184 R192 P194 T197L184-L188 HydrophobicContact CD1-CD1 3.96Å; L184-L188 HydrophobicContact CD1-CD2 4.32Å; L184-L188 HydrophobicContact CD1-CG 3.93Å; L184-L188 HydrophobicContact CD2-CD1 4.33Å; L184-L188 HydrophobicContact CG-CD1 3.8Å; L184-L188 HydrophobicContact CG-CG 4.11Å; L184-L188 WeakPolarHBondContact O-CB 3.35Å; L184-L188 VanDerWaalsContact O-CG 3.28Å; L184-L188 WeakPolarHBondContact O-CG 3.46Å; L184-L188 PolarHBondContact O-N 2.91Å; L188-R192 WeakPolarHBondContact O-CA 3.48Å; L188-R192 PolarHBondContact O-N 3.16Å; L188-P194 HydrophobicContact CD2-CB 3.91Å; L188-T197 HydrophobicContact CD2-CG2 4.26Å
189A97.3Very high96.9Very high53 Ų5343 Ų4344%0.43825%0.254SS..Hα-helixtrans-66.9-38.9178.300000113T126 G185 H186 I187T126-A189 HydrophobicContact CG2-CB 3.73Å; G185-A189 WeakPolarHBondContact O-CB 3.47Å; G185-A189 PolarHBondContact O-N 2.77Å; G185-A189 VanDerWaalsContact O-N 3.12Å; H186-A189 PolarHBondContact O-N 3.05Å; I187-A189 VanDerWaalsContact C-N 3.32Å; I187-A189 PolarHBondContact O-N 2.91Å
190L97.3Very high97Very high22 Ų2242.6 Ų42.612%0.11525%0.252CS..Hα-helixtrans-91.3-49.7-172.8-66169.3000113V124 T126 L129 A163 Y166 G167 H186 I187V124-L190 HydrophobicContact CG1-CD1 4.41Å; V124-L190 WeakPolarHBondContact O-CD1 3.48Å; T126-L190 HydrophobicContact CG2-CD2 4.44Å; T126-L190 HydrophobicContact CG2-CG 4.26Å; L129-L190 HydrophobicContact CD1-CD2 4.08Å; A163-L190 HydrophobicContact CB-CD2 4.09Å; Y166-L190 HydrophobicContact CD1-CD1 4.2Å; Y166-L190 HydrophobicContact CE1-CD1 4.05Å; G167-L190 VanDerWaalsContact CA-O 3.27Å; G167-L190 WeakPolarHBondContact CA-O 3.42Å; H186-L190 WeakPolarHBondContact O-CB 3.23Å; H186-L190 VanDerWaalsContact O-CG 3.26Å; H186-L190 WeakPolarHBondContact O-CG 3.23Å; H186-L190 PolarHBondContact O-N 3.19Å; I187-L190 PolarHBondContact O-N 3.36Å
191W97.7Very high97Very high5 Ų545.4 Ų45.42%0.01926%0.263CS..Hα-helixtrans-89.6-19.8-173.2-6312.7000112.8A101 L104 S117 V119 Y166 G170 S171 V176 I187 C193A101-W191 HydrophobicContact CB-CH2 4.13Å; A101-W191 HydrophobicContact CB-CZ2 3.73Å; L104-W191 HydrophobicContact CD1-CH2 4.38Å; S117-W191 WeakPolarHBondContact OG-CZ3 3.43Å; V119-W191 HydrophobicContact CG2-CH2 3.65Å; V119-W191 HydrophobicContact CG2-CZ2 4.29Å; V119-W191 HydrophobicContact CG2-CZ3 4.13Å; Y166-W191 AromaticContact CD1-NE1 3.48Å; Y166-W191 AromaticContact CE1-CD1 3.89Å; Y166-W191 AromaticContact CE1-CE2 3.99Å; Y166-W191 HydrophobicContact CE1-CZ2 4.39Å; Y166-W191 AromaticContact CE1-NE1 3.04Å; Y166-W191 AromaticContact CE2-CZ2 3.92Å; Y166-W191 HydrophobicContact CE2-CZ2 3.92Å; Y166-W191 AromaticContact CE2-NE1 3.82Å; Y166-W191 AromaticContact CZ-CE2 3.74Å; Y166-W191 AromaticContact CZ-CZ2 3.67Å; Y166-W191 AromaticContact CZ-NE1 3.23Å; Y166-W191 WeakPolarHBondContact OH-CZ2 3.49Å; G170-W191 VanDerWaalsContact CA-CD2 3.45Å; S171-W191 WeakPolarHBondContact CB-O 3.42Å; V176-W191 HydrophobicContact CG1-CE3 4.01Å; V176-W191 HydrophobicContact CG1-CZ3 3.78Å; V176-W191 HydrophobicContact CG2-CE3 3.98Å; V176-W191 HydrophobicContact CG2-CZ3 3.97Å; I187-W191 HydrophobicContact CD1-CD2 3.92Å; I187-W191 HydrophobicContact CD1-CE3 4.47Å; I187-W191 HydrophobicContact CD1-CG 4.3Å; I187-W191 HydrophobicContact CD1-CH2 4.49Å; I187-W191 HydrophobicContact CD1-CZ2 3.93Å; I187-W191 HydrophobicContact CG2-CB 4.2Å; I187-W191 HydrophobicContact CG2-CD2 3.94Å; I187-W191 HydrophobicContact CG2-CE3 3.9Å; I187-W191 HydrophobicContact CG2-CG 4.09Å; I187-W191 WeakPolarHBondContact O-CA 3.24Å; I187-W191 VanDerWaalsContact O-CB 3.32Å; I187-W191 WeakPolarHBondContact O-CB 3.37Å; I187-W191 PolarHBondContact O-N 3.14Å; W191-C193 VanDerWaalsContact C-N 3.34Å; W191-C193 PolarHBondContact O-N 2.73Å
192R96.6Very high96.8Very high210 Ų21043 Ų4379%0.79225%0.248SC*.  trans55.740.8172.3-57.9-178.4174.8-172.7-2.6114.4L188 P194L188-R192 WeakPolarHBondContact O-CA 3.48Å; L188-R192 PolarHBondContact O-N 3.16Å; R192-P194 VanDerWaalsContact C-CD 3.41Å; R192-P194 WeakPolarHBondContact O-CD 3.25Å
193C95.4Very high96.6Very high7 Ų742.1 Ų42.15%0.04725%0.245CC..  trans-123.455-178.155.30000114.1W191 G195 R196 T197W191-C193 VanDerWaalsContact C-N 3.34Å; W191-C193 PolarHBondContact O-N 2.73Å; C193-G195 PolarHBondContact O-N 3.35Å; C193-R196 PolarHBondContact O-N 3.19Å; C193-R196 VanDerWaalsContact O-N 3.08Å; C193-T197 PolarHBondContact O-N 3.26Å; C193-T197 PolarHBondContact O-OG1 3.06Å; C193-T197 PolarHBondContact SG-OG1 2.62Å; C193-T197 VanDerWaalsContact SG-OG1 3.41Å
194P96.1Very high96.4Very high90 Ų9042.4 Ų42.458%0.58425%0.247SC*.G310 helixtrans-58-41.4-171.223.7-34000114.1L188 R192 R196 T197L188-P194 HydrophobicContact CD2-CB 3.91Å; R192-P194 VanDerWaalsContact C-CD 3.41Å; R192-P194 WeakPolarHBondContact O-CD 3.25Å; P194-R196 PolarHBondContact O-N 2.96Å; P194-T197 PolarHBondContact O-N 3.13Å
195G95.7Very high95.9Very high83 Ų8344.5 Ų44.586%0.85626%0.258SS*.G310 helixtrans-68.3-2.8-179.400000115.5C193C193-G195 PolarHBondContact O-N 3.35Å
196R95.8Very high95.6Very high100 Ų10043 Ų4338%0.37724%0.241SC..G310 helixtrans-125.77.7178.7-63.5179.6-68.2161.18112.4S171 S173 D174 V176 C193 P194S171-R196 PolarHBondContact O-NH2 2.99Å; S173-R196 VanDerWaalsContact O-CZ 3.23Å; S173-R196 PolarHBondContact O-NH1 3.11Å; D174-R196 VanDerWaalsContact O-CD 3.3Å; D174-R196 WeakPolarHBondContact O-CD 3.48Å; V176-R196 PolarHBondContact N-O 2.97Å; C193-R196 PolarHBondContact O-N 3.19Å; C193-R196 VanDerWaalsContact O-N 3.08Å; P194-R196 PolarHBondContact O-N 2.96Å
197T97.9Very high95.4Very high21 Ų2149 Ų4913%0.12926%0.263CS..EExtended strand (participates in β ladder)trans-114.5125.2-174.9-47.80000110.6V176 V178 L184 I187 L188 C193 P194V176-T197 HydrophobicContact CB-CG2 4.07Å; V176-T197 HydrophobicContact CG1-CG2 3.96Å; V176-T197 CarbonylContact O-C 3.53Å; V176-T197 VanDerWaalsContact O-CA 3.25Å; V176-T197 WeakPolarHBondContact O-CA 3.08Å; V178-T197 HydrophobicContact CG1-CG2 4.12Å; L184-T197 HydrophobicContact CD1-CG2 3.49Å; L184-T197 VanDerWaalsContact CD1-CG2 3.49Å; I187-T197 HydrophobicContact CG2-CG2 4.09Å; L188-T197 HydrophobicContact CD2-CG2 4.26Å; C193-T197 PolarHBondContact O-N 3.26Å; C193-T197 PolarHBondContact O-OG1 3.06Å; C193-T197 PolarHBondContact SG-OG1 2.62Å; C193-T197 VanDerWaalsContact SG-OG1 3.41Å; P194-T197 PolarHBondContact O-N 3.13Å
198S97.5Very high95Very high44 Ų4450.4 Ų50.431%0.30828%0.275SS..EExtended strand (participates in β ladder)trans-133.3152.7177.6570000111.7V176 M177 V178V176-S198 PolarHBondContact O-N 2.9Å; M177-S198 CarbonylContact C-O 3.51Å; M177-S198 WeakPolarHBondContact CA-O 3.29Å; V178-S198 WeakPolarHBondContact CG2-O 3.27Å; V178-S198 PolarHBondContact N-O 2.97Å
199V97.8Very high94.9Very high40 Ų4047.6 Ų47.624%0.24226%0.26CS..EExtended strand (participates in β ladder)trans-82.2132.2173.2-177.20000108.8V178 L184 Y201V178-V199 HydrophobicContact CG2-CB 4.48Å; V178-V199 HydrophobicContact CG2-CG2 4.01Å; V178-V199 CarbonylContact O-C 3.54Å; V178-V199 WeakPolarHBondContact O-CA 3.49Å; L184-V199 HydrophobicContact CB-CG2 4.19Å; L184-V199 HydrophobicContact CD1-CG2 4.44Å; L184-V199 HydrophobicContact CD2-CG2 3.81Å; L184-V199 HydrophobicContact CG-CG2 4.36Å; V199-Y201 HydrophobicContact CG1-CD1 3.82Å; V199-Y201 HydrophobicContact CG1-CE1 3.51Å; V199-Y201 HydrophobicContact CG1-CE2 4.35Å; V199-Y201 HydrophobicContact CG1-CG 4.34Å
200V97.4Very high94.7Very high1 Ų148.3 Ų48.31%0.00626%0.256CS..  trans-133.895.7171.3-179.60000106.1Y118 M177 V178 N179 F427 C430 F431 A434Y118-V200 HydrophobicContact CE2-CB 4.13Å; Y118-V200 HydrophobicContact CE2-CG1 4.5Å; Y118-V200 VanDerWaalsContact CE2-O 3.31Å; Y118-V200 WeakPolarHBondContact CE2-O 3.47Å; Y118-V200 PolarHBondContact OH-O 2.74Å; M177-V200 HydrophobicContact CB-CB 4.29Å; M177-V200 HydrophobicContact CB-CG2 3.89Å; M177-V200 HydrophobicContact CG-CG2 3.71Å; M177-V200 HydrophobicContact SD-CG2 4.17Å; V178-V200 PolarHBondContact O-N 3.12Å; N179-V200 WeakPolarHBondContact CA-O 3.32Å; V200-F427 HydrophobicContact CG1-CD2 3.56Å; V200-F427 HydrophobicContact CG1-CE2 3.66Å; V200-C430 HydrophobicContact CG1-CB 4.12Å; V200-C430 HydrophobicContact CG2-CB 4.19Å; V200-F431 HydrophobicContact CG1-CB 4.24Å; V200-F431 HydrophobicContact CG1-CD2 4.28Å; V200-A434 HydrophobicContact CG2-CB 4.42Å
201Y96.6Very high94.5Very high59 Ų5953.4 Ų53.423%0.23128%0.283CS..PPolyproline II helixtrans-60.1143.1-178.9-64.3-56.2000111V199 F348 D373 F422 F427V199-Y201 HydrophobicContact CG1-CD1 3.82Å; V199-Y201 HydrophobicContact CG1-CE1 3.51Å; V199-Y201 HydrophobicContact CG1-CE2 4.35Å; V199-Y201 HydrophobicContact CG1-CG 4.34Å; Y201-F348 HydrophobicContact CD1-CD2 4.17Å; Y201-F348 AromaticContact CD1-CE2 3.72Å; Y201-F348 HydrophobicContact CD1-CE2 3.72Å; Y201-F348 HydrophobicContact CE1-CE2 4.42Å; Y201-F348 HydrophobicContact CG-CE2 4.3Å; Y201-D373 HydrophobicContact CE1-CB 3.86Å; Y201-D373 WeakPolarHBondContact CE1-OD1 3.48Å; Y201-D373 PolarHBondContact OH-OD1 3.38Å; Y201-F422 HydrophobicContact CD1-CD1 4.39Å; Y201-F422 HydrophobicContact CD1-CE1 4.1Å; Y201-F422 AromaticContact CD2-CD1 3.91Å; Y201-F422 HydrophobicContact CD2-CD1 3.91Å; Y201-F422 AromaticContact CD2-CE1 3.84Å; Y201-F422 HydrophobicContact CD2-CE1 3.84Å; Y201-F422 HydrophobicContact CE1-CE1 4.41Å; Y201-F422 HydrophobicContact CE2-CE1 4.18Å; Y201-F422 AromaticContact CG-CD1 3.77Å; Y201-F422 HydrophobicContact CG-CD1 3.77Å; Y201-F422 AromaticContact CG-CE1 3.81Å; Y201-F422 HydrophobicContact CG-CE1 3.81Å; Y201-F427 WeakPolarHBondContact O-CD2 3.48Å
202P94.4Very high94.3Very high3 Ų354.8 Ų54.82%0.01929%0.292CS..PPolyproline II helixtrans-66.3146.8179.331.1-34000110.2N179 F348 I350N179-P202 VanDerWaalsContact O-CD 3.31Å; N179-P202 WeakPolarHBondContact O-CD 3.39Å; P202-F348 HydrophobicContact CG-CB 4.32Å; P202-F348 HydrophobicContact CG-CD1 3.25Å; P202-F348 HydrophobicContact CG-CD2 4.25Å; P202-F348 HydrophobicContact CG-CE1 3.49Å; P202-F348 VanDerWaalsContact CG-CE1 3.49Å; P202-F348 HydrophobicContact CG-CE2 4.44Å; P202-F348 HydrophobicContact CG-CG 3.67Å; P202-F348 HydrophobicContact CG-CZ 4.09Å; P202-I350 HydrophobicContact CG-CG1 4.45Å
203P92.2Very high94Very high0 Ų048.4 Ų48.40%028%0.278CS..PPolyproline II helixtrans-62.3138.6171.730.4-35.2000109.3E2 N3 Q6 D424 F427E2-P203 HydrophobicContact CG-CG 4.26Å; N3-P203 WeakPolarHBondContact OD1-CD 3.48Å; Q6-P203 HydrophobicContact CB-CG 4.2Å; Q6-P203 HydrophobicContact CG-CB 4.17Å; Q6-P203 HydrophobicContact CG-CG 3.93Å; P203-D424 VanDerWaalsContact CB-OD1 3.24Å; P203-D424 WeakPolarHBondContact CB-OD1 3.36Å; P203-F427 HydrophobicContact CB-CB 4.11Å; P203-F427 HydrophobicContact CB-CD1 4.42Å; P203-F427 HydrophobicContact CB-CG 4.2Å; P203-F427 HydrophobicContact CG-CD1 4.23Å; P203-F427 HydrophobicContact CG-CG 4.19Å
204C91.6Very high93.8Very high6 Ų648.4 Ų48.44%0.04128%0.278CS..  trans-123.7105.3175.5-61.80000108.9V206 V353 F422C204-V206 HydrophobicContact CB-CG1 4.13Å; C204-V206 PolarHBondContact O-N 2.67Å; C204-V353 HydrophobicContact CB-CB 4.46Å; C204-V353 HydrophobicContact CB-CG1 4.02Å; C204-F422 HydrophobicContact CB-CB 4.18Å; C204-F422 PolarHBondContact N-O 3.19Å
205D87.8Confident93Very high80 Ų8049.6 Ų49.643%0.42828%0.275SS..  trans-73.197.1172.7-175.28.9000110.4R207D205-R207 PolarHBondContact OD1-N 3.12Å
206V91.3Very high91.7Very high11 Ų1146.9 Ų46.97%0.06725%0.248CC..  trans-1169-178.1-64.30000113.6C204 A208 F209 L210 V353 E354 A357 V419C204-V206 HydrophobicContact CB-CG1 4.13Å; C204-V206 PolarHBondContact O-N 2.67Å; V206-A208 VanDerWaalsContact C-N 3.31Å; V206-A208 PolarHBondContact O-N 2.73Å; V206-F209 HydrophobicContact CB-CD2 4.39Å; V206-F209 WeakPolarHBondContact O-CB 3.2Å; V206-F209 PolarHBondContact O-N 2.87Å; V206-L210 HydrophobicContact CG2-CD1 3.89Å; V206-L210 HydrophobicContact CG2-CG 4.25Å; V206-L210 PolarHBondContact O-N 3.04Å; V206-L210 VanDerWaalsContact O-N 3.08Å; V206-V353 HydrophobicContact CG1-CG1 4.17Å; V206-E354 HydrophobicContact CG1-CG 4.31Å; V206-A357 HydrophobicContact CB-CB 3.51Å; V206-A357 HydrophobicContact CG1-CB 3.93Å; V206-A357 HydrophobicContact CG2-CB 3.97Å; V206-V419 HydrophobicContact CG2-CG2 3.81Å
207R91.3Very high90.2Very high133 Ų13344.4 Ų44.450%0.50224%0.24SC..Hα-helixtrans-57.5-45.4-175.2-67.8-175.7-175.4170.89.3112D205 F209 L210 D211D205-R207 PolarHBondContact OD1-N 3.12Å; R207-F209 PolarHBondContact O-N 3.41Å; R207-L210 PolarHBondContact O-N 2.98Å; R207-D211 PolarHBondContact O-N 2.75Å
208A90.4Very high88.1Confident30 Ų3050 Ų5025%0.24827%0.265CS..Hα-helixtrans-57-24178.700000113.5V206 F326 K330V206-A208 VanDerWaalsContact C-N 3.31Å; V206-A208 PolarHBondContact O-N 2.73Å; A208-F326 HydrophobicContact CB-CE1 3.96Å; A208-F326 HydrophobicContact CB-CZ 3.87Å; A208-K330 WeakPolarHBondContact O-CE 3.29Å; A208-K330 PolarHBondContact O-NZ 3.44Å
209F94.1Very high86Confident1 Ų153.1 Ų53.10%0.00428%0.278CS..Hα-helixtrans-90.5-38.1175.8-60.8-67.1000112.8V206 R207 D211 V212 F326 K330 L333 E354 A357 A358 R416V206-F209 HydrophobicContact CB-CD2 4.39Å; V206-F209 WeakPolarHBondContact O-CB 3.2Å; V206-F209 PolarHBondContact O-N 2.87Å; R207-F209 PolarHBondContact O-N 3.41Å; F209-D211 VanDerWaalsContact C-N 3.3Å; F209-D211 PolarHBondContact O-N 3.09Å; F209-V212 PolarHBondContact O-N 3.49Å; F209-F326 HydrophobicContact CE2-CE2 4.34Å; F209-F326 HydrophobicContact CE2-CZ 4.35Å; F209-F326 AromaticContact CZ-CE2 3.9Å; F209-F326 HydrophobicContact CZ-CE2 3.9Å; F209-F326 HydrophobicContact CZ-CZ 4.03Å; F209-K330 HydrophobicContact CD1-CG 4.21Å; F209-K330 HydrophobicContact CE1-CB 4.13Å; F209-K330 HydrophobicContact CE1-CG 4.12Å; F209-L333 HydrophobicContact CD1-CD1 4.46Å; F209-L333 HydrophobicContact CE1-CB 4.34Å; F209-L333 HydrophobicContact CE1-CD1 3.54Å; F209-L333 HydrophobicContact CZ-CD1 3.71Å; F209-E354 HydrophobicContact CD2-CB 4.42Å; F209-E354 HydrophobicContact CE2-CB 3.96Å; F209-E354 HydrophobicContact CE2-CG 3.99Å; F209-E354 HydrophobicContact CZ-CB 4.49Å; F209-A357 HydrophobicContact CB-CB 3.84Å; F209-A358 HydrophobicContact CB-CB 4.27Å; F209-A358 HydrophobicContact CD1-CB 3.81Å; F209-A358 HydrophobicContact CE1-CB 4.48Å; F209-A358 HydrophobicContact CG-CB 4.21Å; F209-R416 PolarHBondContact O-NH2 3.06Å
210L93.9Very high83.7Confident69 Ų6954.6 Ų54.636%0.36128%0.283SS..Hα-helixtrans-67.4-30.3177.6-66.6177.1000112.6V206 R207 V212 A357 R416 V419V206-L210 HydrophobicContact CG2-CD1 3.89Å; V206-L210 HydrophobicContact CG2-CG 4.25Å; V206-L210 PolarHBondContact O-N 3.04Å; V206-L210 VanDerWaalsContact O-N 3.08Å; R207-L210 PolarHBondContact O-N 2.98Å; L210-V212 PolarHBondContact O-N 2.86Å; L210-V212 VanDerWaalsContact O-N 3.12Å; L210-A357 HydrophobicContact CD2-CB 3.95Å; L210-A357 HydrophobicContact CG-CB 4.17Å; L210-R416 HydrophobicContact CD2-CB 4.29Å; L210-R416 HydrophobicContact CD2-CG 4.1Å; L210-V419 HydrophobicContact CD1-CG2 4.1Å; L210-V419 HydrophobicContact CD2-CG2 4.29Å
211D93Very high81.5Confident128 Ų12859.5 Ų59.568%0.68431%0.309SS*.THydrogen-bonded Turntrans-66.9-8.6177.4-65.5-20.4000113.5R207 F209R207-D211 PolarHBondContact O-N 2.75Å; F209-D211 VanDerWaalsContact C-N 3.3Å; F209-D211 PolarHBondContact O-N 3.09Å
212V92.7Very high79.2Confident35 Ų3563.2 Ų63.221%0.21233%0.328CS..SBendtrans-96.9118.8174.7-174.90000108.5F209 L210 V334 R416F209-V212 PolarHBondContact O-N 3.49Å; L210-V212 PolarHBondContact O-N 2.86Å; L210-V212 VanDerWaalsContact O-N 3.12Å; V212-V334 HydrophobicContact CB-CG2 4.3Å; V212-V334 HydrophobicContact CG1-CG1 3.68Å; V212-V334 HydrophobicContact CG1-CG2 4.18Å; V212-V334 HydrophobicContact CG2-CG2 4.13Å; V212-R416 VanDerWaalsContact O-CZ 3.24Å; V212-R416 PolarHBondContact O-NH1 3.44Å; V212-R416 PolarHBondContact O-NH2 3Å
213P92.1Very high77Confident76 Ų7668.1 Ų68.149%0.49435%0.353SS..PPolyproline II helixtrans-55.5151.5177.1-25.134000113
214L90.5Very high74.7Confident7 Ų775.5 Ų75.54%0.03739%0.388CS..PPolyproline II helixtrans-74.3137.9169.7-64.9178.5000109.6G216 E217 G359 L409 K412 R413 R416L214-G216 PolarHBondContact O-N 2.87Å; L214-E217 HydrophobicContact CB-CG 3.92Å; L214-E217 WeakPolarHBondContact CD1-OE1 3.37Å; L214-E217 PolarHBondContact N-OE2 3.22Å; L214-E217 WeakPolarHBondContact O-CB 3.38Å; L214-E217 PolarHBondContact O-N 2.96Å; L214-E217 VanDerWaalsContact O-N 3.09Å; L214-G359 VanDerWaalsContact CD2-CA 3.46Å; L214-L409 HydrophobicContact CB-CD1 3.66Å; L214-L409 HydrophobicContact CD1-CD1 3.69Å; L214-L409 HydrophobicContact CG-CD1 4.3Å; L214-K412 HydrophobicContact CD1-CB 3.77Å; L214-K412 HydrophobicContact CD2-CB 4.15Å; L214-K412 HydrophobicContact CD2-CD 4.35Å; L214-R413 HydrophobicContact CD1-CG 3.71Å; L214-R416 VanDerWaalsContact CG-NH1 3.28Å
215E78.8Confident72.3Confident114 Ų11483 Ų8353%0.53342%0.423SS..THydrogen-bonded Turntrans-60.2121.5171.1-64.6-179.8179.200110.4K245E215-K245 IonicContact OE1-NZ 3.98Å; E215-K245 PolarHBondContact OE1-NZ 3.04Å; E215-K245 IonicContact OE2-NZ 2.76Å; E215-K245 PolarHBondContact OE2-NZ 3.41Å
216G68.6Low70.1Confident27 Ų2785.5 Ų85.528%0.27844%0.436SS..THydrogen-bonded Turntrans98.12.2-17600000115.2L214L214-G216 PolarHBondContact O-N 2.87Å
217E64.7Low67.9Low48 Ų4895.3 Ų95.322%0.22447%0.472CS..SBendtrans-72.5-41168.8-82.6171.4173.900112L214 D219 E220 D221 L409 R413L214-E217 HydrophobicContact CB-CG 3.92Å; L214-E217 WeakPolarHBondContact CD1-OE1 3.37Å; L214-E217 PolarHBondContact N-OE2 3.22Å; L214-E217 WeakPolarHBondContact O-CB 3.38Å; L214-E217 PolarHBondContact O-N 2.96Å; L214-E217 VanDerWaalsContact O-N 3.09Å; E217-D219 VanDerWaalsContact C-N 3.3Å; E217-D219 PolarHBondContact O-N 2.99Å; E217-E220 PolarHBondContact O-N 3.13Å; E217-E220 VanDerWaalsContact O-N 3.16Å; E217-D221 PolarHBondContact O-N 3.11Å; E217-L409 HydrophobicContact CG-CD1 4.37Å; E217-R413 IonicContact OE1-NE 2.82Å
218E54.2Low65.5Low139 Ų13997.8 Ų97.865%0.6549%0.489SS*.Hα-helixtrans-63.5-33.5-179-64.2175.7177.800112.8E220 E222E218-E220 VanDerWaalsContact C-N 3.3Å; E218-E220 PolarHBondContact O-N 2.87Å; E218-E222 PolarHBondContact O-N 2.83Å
219D51.8Low63.1Low108 Ų108104.3 Ų104.358%0.57851%0.514SS*.Hα-helixtrans-71.1-22.8178.5-64.9-47000112.6E217 L223E217-D219 VanDerWaalsContact C-N 3.3Å; E217-D219 PolarHBondContact O-N 2.99Å; D219-L223 WeakPolarHBondContact O-CB 3.5Å; D219-L223 WeakPolarHBondContact O-CD1 3.42Å; D219-L223 WeakPolarHBondContact O-CG 3.38Å; D219-L223 PolarHBondContact O-N 3.26Å
220E51.1Low60.6Low72 Ų72112.4 Ų112.434%0.33656%0.557SS.*Hα-helixtrans-86.6-38.2178.1-78.9-177.6-177.900112.2E217 E218 L223 E224 R413E217-E220 PolarHBondContact O-N 3.13Å; E217-E220 VanDerWaalsContact O-N 3.16Å; E218-E220 VanDerWaalsContact C-N 3.3Å; E218-E220 PolarHBondContact O-N 2.87Å; E220-L223 PolarHBondContact O-N 3.41Å; E220-E224 PolarHBondContact O-N 3.1Å; E220-R413 IonicContact OE1-NH1 3.9Å; E220-R413 IonicContact OE2-CZ 3.57Å; E220-R413 IonicContact OE2-NH1 3.83Å; E220-R413 PolarHBondContact OE2-NH1 2.82Å; E220-R413 IonicContact OE2-NH2 3.63Å; E220-R413 PolarHBondContact OE2-NH2 3.48Å
221D51Low58.2Low104 Ų104113.1 Ų113.156%0.55658%0.581SS**Hα-helixtrans-67.5-39176.7-67.8-26.8000111.4E217 E224 E225E217-D221 PolarHBondContact O-N 3.11Å; D221-E224 PolarHBondContact O-N 2.99Å; D221-E225 PolarHBondContact O-N 2.87Å
222E48.5Very low55.1Low136 Ų136110.8 Ų110.864%0.63659%0.587SS**Hα-helixtrans-68.2-33.6173.1-75.5-173.7174.300112.4E218 D226E218-E222 PolarHBondContact O-N 2.83Å; E222-D226 PolarHBondContact O-N 2.99Å
223L46.9Very low52.2Low106 Ų106118.1 Ų118.156%0.55562%0.619SS**Hα-helixtrans-69.3-39175.4-78.7170.3000111.4D219 E220 D226 W227D219-L223 WeakPolarHBondContact O-CB 3.5Å; D219-L223 WeakPolarHBondContact O-CD1 3.42Å; D219-L223 WeakPolarHBondContact O-CG 3.38Å; D219-L223 PolarHBondContact O-N 3.26Å; E220-L223 PolarHBondContact O-N 3.41Å; L223-D226 PolarHBondContact O-N 2.92Å; L223-W227 PolarHBondContact O-NE1 2.82Å
224E44.4Very low49.5Very low155 Ų155122.8 Ų122.872%0.72464%0.635SS**Hα-helixtrans-67-32.6176.9-81.5-167.3164.500113.4E220 D221E220-E224 PolarHBondContact O-N 3.1Å; D221-E224 PolarHBondContact O-N 2.99Å
225E41.7Very low46.4Very low165 Ų165129.7 Ų129.777%0.77167%0.671SS**Hα-helixtrans-73.1-28.6176-72.9-170.2165.300113.3D221D221-E225 PolarHBondContact O-N 2.87Å
226D41.9Very low44.6Very low131 Ų131127 Ų12770%0.70167%0.674SS**Hα-helixtrans-80.5-12.1-179.4-104.64.4000114.4E222 L223 E228E222-D226 PolarHBondContact O-N 2.99Å; L223-D226 PolarHBondContact O-N 2.92Å; D226-E228 VanDerWaalsContact C-N 3.28Å; D226-E228 PolarHBondContact O-N 2.97Å
227W44.2Very low43.1Very low218 Ų218137.9 Ų137.983%0.82671%0.707SS**THydrogen-bonded Turntrans-77.8-4.1178.7-74.498.2000114.6L223L223-W227 PolarHBondContact O-NE1 2.82Å
228E41.3Very low41.3Very low185 Ų185139.3 Ų139.386%0.86473%0.734SS**THydrogen-bonded Turntrans-100.8-9.6175.7-81-164.7159.700115.5D226D226-E228 VanDerWaalsContact C-N 3.28Å; D226-E228 PolarHBondContact O-N 2.97Å
229E40.6Very low40.1Very low166 Ų166144.6 Ų144.678%0.77675%0.748SS**SBendtrans-128.589.9178.7-81.7-168.9158.900114.8
230L40.4Very low39.2Very low171 Ų171144.7 Ų144.790%0.89576%0.764SS**  trans59.8136.2140.4-67.1166000121.8
231G43Very low38.1Very low85 Ų85144.5 Ų144.588%0.87678%0.781SS**  trans-64.1147.8170.700000115.4
232G29.6Very low37.2Very low79 Ų79142.8 Ų142.881%0.81479%0.788SS**  trans-169.6141.2169.200000110.5
233E31.6Very low36.6Very low188 Ų188143.9 Ų143.988%0.87980%0.799SS**  trans-83.4160.2177.3-78.1177.6148.600113
234E34.5Very low36.4Very low175 Ų175145 Ų14582%0.81881%0.81SS**  trans73.4146.4166.4-64.5-175.8168.400116.2
235D26.8Very low36.8Very low151 Ų151143.2 Ų143.281%0.80780%0.8SS**  cis-160156.920.1-146.6-11.8000110.9
236G39.7Very low37.8Very low58 Ų58138 Ų13860%0.59878%0.781SS**  trans-74.3134.4-178.100000114.4
237R37.1Very low39.5Very low256 Ų256134.2 Ų134.297%0.96676%0.759SS**  trans158.586.8137.5-86.6163.2-165.7-137.44.1110.4
238G26.9Very low41.7Very low77 Ų77124.4 Ų124.479%0.79472%0.724SS**  trans-116115.6169.200000110.7A240G238-A240 PolarHBondContact O-N 3.32Å
239R29.7Very low44.4Very low250 Ų250115.6 Ų115.694%0.94368%0.682SS**  trans-37114.1-178.2-74.5162167158.8-4.2115.4G241R239-G241 VanDerWaalsContact C-N 3.32Å; R239-G241 PolarHBondContact O-N 3.01Å
240A32.3Very low47.1Very low111 Ų111107.7 Ų107.792%0.91765%0.646SS**  trans-69.587.7156.800000109.7G238G238-A240 PolarHBondContact O-N 3.32Å
241G28.4Very low49.9Very low67 Ų6799.8 Ų99.869%0.69160%0.604SS**  trans-11572.1165.900000108.7R239 D243R239-G241 VanDerWaalsContact C-N 3.32Å; R239-G241 PolarHBondContact O-N 3.01Å; G241-D243 PolarHBondContact O-N 2.84Å
242G31.6Very low52.4Low68 Ų6897.5 Ų97.570%0.70157%0.573SS**  trans-72.588.7178.200000110.6T244G242-T244 PolarHBondContact O-N 3.26Å; G242-T244 PolarHBondContact O-OG1 3.41Å
243D36.6Very low55.4Low160 Ų16094.4 Ų94.486%0.85654%0.541SS*.  trans-60.5105161-95.5-8.9000107G241 K245G241-D243 PolarHBondContact O-N 2.84Å; D243-K245 PolarHBondContact O-N 2.72Å
244T42.5Very low58.3Low128 Ų12889.2 Ų89.279%0.78552%0.517SS*.  trans-73.182.8178.9-43.10000107G242 C246G242-T244 PolarHBondContact O-N 3.26Å; G242-T244 PolarHBondContact O-OG1 3.41Å; T244-C246 PolarHBondContact O-N 3.38Å
245K53.7Low61.3Low119 Ų11980.9 Ų80.952%0.51748%0.478SS..PPolyproline II helixtrans-56.6123.2-174.9-163172.9-176171.50109.6E215 D243 Q247E215-K245 IonicContact OE1-NZ 3.98Å; E215-K245 PolarHBondContact OE1-NZ 3.04Å; E215-K245 IonicContact OE2-NZ 2.76Å; E215-K245 PolarHBondContact OE2-NZ 3.41Å; D243-K245 PolarHBondContact O-N 2.72Å; K245-Q247 PolarHBondContact O-N 2.83Å; K245-Q247 VanDerWaalsContact O-N 3.13Å
246C61.2Low64.4Low56 Ų5675.6 Ų75.638%0.37845%0.447SS..PPolyproline II helixtrans-57.5116.6175.1-169.70000108.1T244 S248 A284T244-C246 PolarHBondContact O-N 3.38Å; C246-S248 PolarHBondContact O-N 3.16Å; C246-A284 CarbonylContact C-O 3.57Å; C246-A284 WeakPolarHBondContact CA-O 3.34Å; C246-A284 PolarHBondContact SG-O 2.94Å
247Q78.8Confident66.9Low50 Ų5076.8 Ų76.823%0.23444%0.444CS..EExtended strand (participates in β ladder)trans-73.2126.3173.4-68.8-169.5-33.600107.7K245 A284 L285 R286 L401K245-Q247 PolarHBondContact O-N 2.83Å; K245-Q247 VanDerWaalsContact O-N 3.13Å; Q247-A284 PolarHBondContact N-O 2.63Å; Q247-L285 HydrophobicContact CB-CD1 3.74Å; Q247-L285 WeakPolarHBondContact O-CA 3.1Å; Q247-L285 WeakPolarHBondContact O-CD1 3.4Å; Q247-R286 PolarHBondContact O-N 3.03Å; Q247-R286 VanDerWaalsContact O-N 3.11Å; Q247-L401 HydrophobicContact CB-CD2 4.32Å; Q247-L401 VanDerWaalsContact OE1-CD2 3.25Å
248S90.4Very high69.5Low12 Ų1269.1 Ų69.18%0.08442%0.419CS..EExtended strand (participates in β ladder)trans-118.2142.7178.457.40000111.5C246 R286 A336 T337 I338C246-S248 PolarHBondContact O-N 3.16Å; S248-R286 WeakPolarHBondContact CA-O 3.35Å; S248-A336 VanDerWaalsContact OG-CA 3.32Å; S248-A336 WeakPolarHBondContact OG-CA 3.39Å; S248-T337 PolarHBondContact O-N 3.28Å; S248-I338 PolarHBondContact O-N 3.27Å
249I97Very high72.7Confident0 Ų067.5 Ų67.50%039%0.391CS..EExtended strand (participates in β ladder)trans-110.1124.8170.5-59166.4000105.2F268 L271 L285 R286 L287 V288 I338 L340 M397I249-F268 HydrophobicContact CD1-CD2 3.89Å; I249-F268 HydrophobicContact CD1-CE2 4Å; I249-L271 HydrophobicContact CD1-CD2 4.07Å; I249-L285 HydrophobicContact CD1-CD1 4.13Å; I249-L285 HydrophobicContact CD1-CD2 4.08Å; I249-L285 HydrophobicContact CD1-CG 4.29Å; I249-L285 HydrophobicContact CG1-CD1 4.29Å; I249-R286 PolarHBondContact N-O 3.29Å; I249-L287 HydrophobicContact CB-CD1 4.15Å; I249-L287 HydrophobicContact CG2-CD1 3.82Å; I249-L287 CarbonylContact O-C 3.59Å; I249-L287 WeakPolarHBondContact O-CA 3.46Å; I249-V288 PolarHBondContact O-N 3.07Å; I249-I338 WeakPolarHBondContact CA-O 3.31Å; I249-I338 HydrophobicContact CB-CB 4.43Å; I249-I338 HydrophobicContact CD1-CD1 4.48Å; I249-I338 HydrophobicContact CG1-CB 4.11Å; I249-I338 HydrophobicContact CG1-CD1 4.17Å; I249-I338 HydrophobicContact CG1-CG1 4.34Å; I249-I338 HydrophobicContact CG2-CB 4.14Å; I249-I338 HydrophobicContact CG2-CG2 4.26Å; I249-L340 HydrophobicContact CG2-CB 3.97Å; I249-L340 HydrophobicContact CG2-CD2 4.16Å; I249-M397 HydrophobicContact CD1-SD 3.69Å
250V97.9Very high75.9Confident1 Ų158.4 Ų58.41%0.00636%0.361CS..EExtended strand (participates in β ladder)trans-116139.6-176.867.60000110.1V252 V288 I290 E332 L333 A336 I338 L340 T360V250-V252 HydrophobicContact CG2-CG2 4.29Å; V250-V288 CarbonylContact C-O 3.51Å; V250-V288 WeakPolarHBondContact CA-O 3.29Å; V250-V288 HydrophobicContact CG2-CB 4.42Å; V250-I290 HydrophobicContact CG2-CD1 3.59Å; V250-I290 HydrophobicContact CG2-CG1 4.09Å; V250-E332 HydrophobicContact CG2-CB 4.45Å; V250-L333 HydrophobicContact CG1-CD2 3.76Å; V250-L333 HydrophobicContact CG2-CD2 4.4Å; V250-A336 HydrophobicContact CB-CB 3.82Å; V250-A336 HydrophobicContact CG1-CB 3.39Å; V250-I338 PolarHBondContact N-O 3.4Å; V250-L340 PolarHBondContact O-N 3.38Å; V250-T360 HydrophobicContact CG1-CG2 4.44Å
251S97.8Very high79Confident4 Ų453.4 Ų53.43%0.02832%0.318CS..EExtended strand (participates in β ladder)trans-124.6137166.3-167.10000109.9Q264 V288 I290 L340S251-Q264 PolarHBondContact OG-NE2 2.86Å; S251-Q264 PolarHBondContact OG-OE1 3.12Å; S251-Q264 VanDerWaalsContact OG-OE1 3.05Å; S251-V288 PolarHBondContact N-O 2.74Å; S251-I290 PolarHBondContact O-N 3.11Å; S251-L340 WeakPolarHBondContact CB-O 3.34Å; S251-L340 PolarHBondContact OG-O 3.25Å
252V96.3Very high82.3Confident37 Ų3753.1 Ų53.122%0.22430%0.301CS..EExtended strand (participates in β ladder)trans-120.8118.1-179.4-176.30000109.4V250 I290 L329 L333V250-V252 HydrophobicContact CG2-CG2 4.29Å; V252-I290 WeakPolarHBondContact CA-O 3.37Å; V252-I290 HydrophobicContact CG2-CB 4.42Å; V252-L329 HydrophobicContact CB-CD1 4.34Å; V252-L329 HydrophobicContact CG1-CD1 3.73Å; V252-L329 HydrophobicContact CG2-CD1 3.6Å; V252-L333 HydrophobicContact CG2-CD1 4.32Å; V252-L333 HydrophobicContact CG2-CD2 3.7Å; V252-L333 HydrophobicContact CG2-CG 4.11Å
253G92.8Very high85.5Confident14 Ų1450.7 Ų50.714%0.14427%0.272CS..  trans176.4151.5177.500000112.8I290 G291G253-I290 PolarHBondContact N-O 3.08Å; G253-G291 WeakPolarHBondContact O-CA 3.32Å
254Q93.6Very high88.5Confident80 Ų8043.2 Ų43.237%0.37423%0.232SC..  trans-58.5143.9172.4-66.6178.6-2.800111R256 K259 H261Q254-R256 VanDerWaalsContact C-N 3.25Å; Q254-R256 HydrophobicContact CB-CG 3.95Å; Q254-R256 PolarHBondContact O-N 3.42Å; Q254-K259 WeakPolarHBondContact O-CG 3.41Å; Q254-H261 PolarHBondContact O-CE1 2.94Å; Q254-H261 VanDerWaalsContact O-CE1 3.29Å
255F95.8Very high91.1Very high0 Ų037.1 Ų37.10%019%0.194CC..SBendtrans-73.177.2179.9-70.9-79.8000112.1H261 L289 G291 G292 R301 V302 L305 F320 L322F255-H261 AromaticContact CD1-NE2 3.97Å; F255-L289 HydrophobicContact CE1-CB 4.24Å; F255-L289 HydrophobicContact CZ-CB 4.23Å; F255-G291 VanDerWaalsContact CE2-CA 3.46Å; F255-G292 PolarHBondContact N-O 2.89Å; F255-R301 WeakPolarHBondContact O-CD 3.06Å; F255-R301 PolarHBondContact O-NH1 2.93Å; F255-V302 HydrophobicContact CB-CG2 3.96Å; F255-V302 HydrophobicContact CD1-CG2 3.72Å; F255-V302 HydrophobicContact CD2-CG2 3.73Å; F255-V302 HydrophobicContact CE1-CG2 4.12Å; F255-V302 HydrophobicContact CE2-CG2 4.14Å; F255-V302 HydrophobicContact CG-CG2 3.5Å; F255-V302 VanDerWaalsContact CG-CG2 3.5Å; F255-V302 HydrophobicContact CZ-CG2 4.32Å; F255-L305 HydrophobicContact CD1-CD1 3.83Å; F255-L305 HydrophobicContact CE1-CD1 4.24Å; F255-F320 AromaticContact CE1-CD1 3.88Å; F255-F320 HydrophobicContact CE1-CD1 3.88Å; F255-F320 HydrophobicContact CE1-CE1 4.18Å; F255-F320 HydrophobicContact CZ-CD1 4.06Å; F255-L322 HydrophobicContact CD2-CD2 3.86Å; F255-L322 HydrophobicContact CE2-CD2 3.17Å; F255-L322 HydrophobicContact CZ-CD2 3.65Å
256R93.3Very high93.3Very high39 Ų3935.6 Ų35.615%0.14719%0.185CC..  trans-124.1155.4-174.6-67.5-77.1162.1167.3-6.5112.1Q254 E258 K259 R294 N295 D298Q254-R256 VanDerWaalsContact C-N 3.25Å; Q254-R256 HydrophobicContact CB-CG 3.95Å; Q254-R256 PolarHBondContact O-N 3.42Å; R256-E258 VanDerWaalsContact C-N 3.32Å; R256-E258 VanDerWaalsContact CB-CD 3.44Å; R256-E258 HydrophobicContact CB-CG 4.36Å; R256-E258 VanDerWaalsContact CB-OE1 3.27Å; R256-E258 WeakPolarHBondContact CB-OE1 3Å; R256-E258 WeakPolarHBondContact CB-OE2 3.34Å; R256-E258 PolarHBondContact O-N 3.23Å; R256-K259 HydrophobicContact CB-CG 4.41Å; R256-K259 PolarHBondContact O-N 3.3Å; R256-R294 VanDerWaalsContact NH2-NE 3.14Å; R256-N295 PolarHBondContact NH2-OD1 2.89Å; R256-D298 WeakPolarHBondContact CD-OD1 3.39Å; R256-D298 IonicContact CZ-OD1 2.69Å; R256-D298 IonicContact CZ-OD2 2.62Å; R256-D298 IonicContact NE-OD1 3.91Å; R256-D298 PolarHBondContact NE-OD1 2.93Å; R256-D298 IonicContact NE-OD2 3.8Å; R256-D298 PolarHBondContact NE-OD2 3.48Å; R256-D298 IonicContact NH1-OD1 3.37Å; R256-D298 IonicContact NH2-OD1 3.88Å; R256-D298 PolarHBondContact NH2-OD1 3.37Å; R256-D298 IonicContact NH2-OD2 3.11Å; R256-D298 PolarHBondContact NH2-OD2 3.37Å
257P91.9Very high95Very high83 Ų8333 Ų3354%0.53917%0.167SC..G310 helixtrans-56.4-43.7179.9-2535.1000113.2K259 D260 R301P257-K259 PolarHBondContact O-N 2.9Å; P257-D260 PolarHBondContact O-N 2.99Å; P257-D260 VanDerWaalsContact O-N 3.12Å; P257-R301 VanDerWaalsContact CD-CZ 3.44Å
258E91.1Very high95.9Very high95 Ų9530.6 Ų30.644%0.44416%0.156SC..G310 helixtrans-64.2-21.6-177.262.9-85.8-166.100113.8R256 D260 M343R256-E258 VanDerWaalsContact C-N 3.32Å; R256-E258 VanDerWaalsContact CB-CD 3.44Å; R256-E258 HydrophobicContact CB-CG 4.36Å; R256-E258 VanDerWaalsContact CB-OE1 3.27Å; R256-E258 WeakPolarHBondContact CB-OE1 3Å; R256-E258 WeakPolarHBondContact CB-OE2 3.34Å; R256-E258 PolarHBondContact O-N 3.23Å; E258-D260 VanDerWaalsContact C-N 3.26Å; E258-D260 PolarHBondContact O-N 3.15Å; E258-M343 HydrophobicContact CB-CE 4.16Å; E258-M343 HydrophobicContact CB-SD 4.39Å; E258-M343 HydrophobicContact CG-CE 4.11Å; E258-M343 HydrophobicContact CG-SD 4.14Å; E258-M343 WeakPolarHBondContact O-CA 2.87Å; E258-M343 WeakPolarHBondContact O-CB 3.42Å; E258-M343 WeakPolarHBondContact O-CG 3.2Å
259K94.8Very high96.2Very high44 Ų4430.4 Ų30.419%0.19116%0.155CC..G310 helixtrans-78.4-10.1177.7-64.8-58.3-179.7-1770113.7Q254 R256 P257 H261 T342 M343 E346Q254-K259 WeakPolarHBondContact O-CG 3.41Å; R256-K259 HydrophobicContact CB-CG 4.41Å; R256-K259 PolarHBondContact O-N 3.3Å; P257-K259 PolarHBondContact O-N 2.9Å; K259-H261 WeakPolarHBondContact CB-CE1 3.44Å; K259-H261 PolarHBondContact O-N 3.33Å; K259-T342 PolarHBondContact O-OG1 3.2Å; K259-M343 HydrophobicContact CD-CB 4.21Å; K259-M343 HydrophobicContact CD-SD 3.87Å; K259-M343 PolarHBondContact NZ-SD 3.32Å; K259-M343 VanDerWaalsContact NZ-SD 3.41Å; K259-E346 IonicContact NZ-OE1 2.85Å; K259-E346 IonicContact NZ-OE2 3.86Å; K259-E346 PolarHBondContact NZ-OE2 3.01Å
260D96.4Very high96.1Very high59 Ų5933.3 Ų33.332%0.31617%0.168SC..  trans45.653.7175.1-156.7-8000114.2P257 E258 L262 L263 Q264 T342P257-D260 PolarHBondContact O-N 2.99Å; P257-D260 VanDerWaalsContact O-N 3.12Å; E258-D260 VanDerWaalsContact C-N 3.26Å; E258-D260 PolarHBondContact O-N 3.15Å; D260-L262 PolarHBondContact O-N 3.31Å; D260-L263 HydrophobicContact CB-CB 4.33Å; D260-L263 VanDerWaalsContact CG-CB 3.48Å; D260-L263 PolarHBondContact O-N 2.89Å; D260-L263 WeakPolarHBondContact OD1-CB 3.48Å; D260-L263 PolarHBondContact OD1-N 2.88Å; D260-Q264 PolarHBondContact O-N 3.06Å; D260-T342 PolarHBondContact O-OG1 3.46Å
261H98Very high95.9Very high6 Ų633.3 Ų33.33%0.02817%0.168CC..Hα-helixtrans-62.2-22173.1-61.488.6000112.2Q254 F255 K259 Q264 I265 L305Q254-H261 PolarHBondContact O-CE1 2.94Å; Q254-H261 VanDerWaalsContact O-CE1 3.29Å; F255-H261 AromaticContact CD1-NE2 3.97Å; K259-H261 WeakPolarHBondContact CB-CE1 3.44Å; K259-H261 PolarHBondContact O-N 3.33Å; H261-Q264 WeakPolarHBondContact O-CB 3.38Å; H261-Q264 PolarHBondContact O-N 3.4Å; H261-I265 WeakPolarHBondContact O-CG1 3.47Å; H261-I265 PolarHBondContact O-N 3.2Å; H261-I265 VanDerWaalsContact O-N 3.07Å; H261-L305 HydrophobicContact CB-CD1 3.66Å; H261-L305 HydrophobicContact CB-CD2 3.8Å; H261-L305 HydrophobicContact CB-CG 4.41Å
262L97.9Very high95.6Very high61 Ų6134.1 Ų34.132%0.31917%0.172SC..Hα-helixtrans-61.5-48.9174.5-68172.1000110.5D260 Q264 I265 R266 M304 L305 L308D260-L262 PolarHBondContact O-N 3.31Å; L262-Q264 VanDerWaalsContact C-N 3.27Å; L262-Q264 PolarHBondContact O-N 2.86Å; L262-I265 PolarHBondContact O-N 3.34Å; L262-R266 WeakPolarHBondContact O-CB 3.09Å; L262-R266 WeakPolarHBondContact O-CG 3.48Å; L262-R266 PolarHBondContact O-N 3.13Å; L262-M304 HydrophobicContact CD1-CE 4.38Å; L262-M304 HydrophobicContact CD2-CE 3.89Å; L262-M304 HydrophobicContact CD2-SD 3.76Å; L262-M304 HydrophobicContact CG-CE 4.35Å; L262-L305 HydrophobicContact CD2-CD2 3.68Å; L262-L305 HydrophobicContact CG-CD2 4.05Å; L262-L308 HydrophobicContact CD2-CD2 3.5Å; L262-L308 VanDerWaalsContact CD2-CD2 3.5Å
263L98.3Very high95.2Very high17 Ų1737.8 Ų37.89%0.08919%0.19CC..Hα-helixtrans-57.8-40.9175.3176.656.7000111.8D260 R266 A267 T342 E390 Y393D260-L263 HydrophobicContact CB-CB 4.33Å; D260-L263 VanDerWaalsContact CG-CB 3.48Å; D260-L263 PolarHBondContact O-N 2.89Å; D260-L263 WeakPolarHBondContact OD1-CB 3.48Å; D260-L263 PolarHBondContact OD1-N 2.88Å; L263-R266 PolarHBondContact O-N 3.22Å; L263-A267 WeakPolarHBondContact O-CB 3.32Å; L263-A267 PolarHBondContact O-N 2.99Å; L263-T342 HydrophobicContact CB-CG2 4.32Å; L263-T342 HydrophobicContact CD2-CG2 3.96Å; L263-T342 HydrophobicContact CG-CG2 3.95Å; L263-E390 HydrophobicContact CD1-CB 4.26Å; L263-E390 HydrophobicContact CD1-CG 3.51Å; L263-Y393 HydrophobicContact CD1-CD2 4.37Å; L263-Y393 HydrophobicContact CD2-CD2 4.14Å; L263-Y393 HydrophobicContact CD2-CE2 3.8Å; L263-Y393 HydrophobicContact CG-CD2 4.3Å; L263-Y393 HydrophobicContact CG-CE2 4.37Å
264Q98.3Very high94.7Very high3 Ų341.6 Ų41.61%0.01420%0.2CC..Hα-helixtrans-60.2-51.2178.1-58.8178.918.900111.8S251 D260 H261 L262 F268 L340 T342S251-Q264 PolarHBondContact OG-NE2 2.86Å; S251-Q264 PolarHBondContact OG-OE1 3.12Å; S251-Q264 VanDerWaalsContact OG-OE1 3.05Å; D260-Q264 PolarHBondContact O-N 3.06Å; H261-Q264 WeakPolarHBondContact O-CB 3.38Å; H261-Q264 PolarHBondContact O-N 3.4Å; L262-Q264 VanDerWaalsContact C-N 3.27Å; L262-Q264 PolarHBondContact O-N 2.86Å; Q264-F268 VanDerWaalsContact O-CB 3.27Å; Q264-F268 WeakPolarHBondContact O-CB 3.49Å; Q264-F268 PolarHBondContact O-N 2.85Å; Q264-L340 HydrophobicContact CB-CD2 3.74Å; Q264-L340 HydrophobicContact CG-CD2 3.75Å; Q264-L340 HydrophobicContact CG-CG 4.33Å; Q264-T342 HydrophobicContact CB-CG2 4.48Å; Q264-T342 HydrophobicContact CG-CG2 3.39Å; Q264-T342 WeakPolarHBondContact CG-OG1 3.4Å; Q264-T342 PolarHBondContact NE2-OG1 2.92Å
265I98.6Very high93.5Very high0 Ų041.5 Ų41.50%020%0.199CC..Hα-helixtrans-65.2-42.9-178.7-64.5166.4000110.6H261 L262 F268 A269 L287 L289 L305 L308 L312 V314 F320H261-I265 WeakPolarHBondContact O-CG1 3.47Å; H261-I265 PolarHBondContact O-N 3.2Å; H261-I265 VanDerWaalsContact O-N 3.07Å; L262-I265 PolarHBondContact O-N 3.34Å; I265-F268 PolarHBondContact O-N 2.79Å; I265-A269 WeakPolarHBondContact O-CB 3.22Å; I265-A269 PolarHBondContact O-N 3.17Å; I265-L287 HydrophobicContact CG1-CD2 4.29Å; I265-L289 HydrophobicContact CD1-CD1 4.04Å; I265-L289 HydrophobicContact CG1-CD1 4.01Å; I265-L305 HydrophobicContact CD1-CB 3.95Å; I265-L305 HydrophobicContact CD1-CD2 3.8Å; I265-L305 HydrophobicContact CD1-CG 4.41Å; I265-L308 HydrophobicContact CB-CD2 4.1Å; I265-L308 HydrophobicContact CD1-CD2 4.37Å; I265-L308 HydrophobicContact CG2-CD2 3.98Å; I265-L308 HydrophobicContact CG2-CG 4.15Å; I265-L312 HydrophobicContact CG2-CD1 3.98Å; I265-V314 HydrophobicContact CG2-CG2 4.27Å; I265-F320 HydrophobicContact CD1-CZ 4.2Å
266R98.5Very high91.8Very high87 Ų8742.9 Ų42.933%0.32821%0.212SC..Hα-helixtrans-66-44.6179.1-70.3-177.8-174.5-76.8-3.4112.3L262 L263 F268 A269 K270 L308 L312 E390L262-R266 WeakPolarHBondContact O-CB 3.09Å; L262-R266 WeakPolarHBondContact O-CG 3.48Å; L262-R266 PolarHBondContact O-N 3.13Å; L263-R266 PolarHBondContact O-N 3.22Å; R266-F268 VanDerWaalsContact C-N 3.29Å; R266-F268 PolarHBondContact O-N 3.07Å; R266-A269 PolarHBondContact O-N 3.48Å; R266-K270 WeakPolarHBondContact O-CB 3.47Å; R266-K270 PolarHBondContact O-N 3.03Å; R266-L308 HydrophobicContact CG-CD2 4.34Å; R266-L312 HydrophobicContact CG-CD1 4.1Å; R266-E390 HydrophobicContact CB-CG 3.92Å; R266-E390 WeakPolarHBondContact CD-OE1 3.37Å
267A98.2Very high89.8Confident0 Ų047.9 Ų47.90%024%0.242CC..Hα-helixtrans-62.8-38.6175.600000111.7L263 K270 L271 Y393 M397L263-A267 WeakPolarHBondContact O-CB 3.32Å; L263-A267 PolarHBondContact O-N 2.99Å; A267-K270 PolarHBondContact O-N 3.27Å; A267-L271 PolarHBondContact O-N 3.17Å; A267-Y393 HydrophobicContact CB-CG 4.44Å; A267-M397 HydrophobicContact CB-CE 3.89Å; A267-M397 WeakPolarHBondContact O-CE 3.37Å
268F97.3Very high87.7Confident0 Ų045.8 Ų45.80%024%0.236CC..Hα-helixtrans-65.7-46.2176179.1-110.8000112.4I249 Q264 I265 R266 K270 L271 L272 L285 L287 R317 V318I249-F268 HydrophobicContact CD1-CD2 3.89Å; I249-F268 HydrophobicContact CD1-CE2 4Å; Q264-F268 VanDerWaalsContact O-CB 3.27Å; Q264-F268 WeakPolarHBondContact O-CB 3.49Å; Q264-F268 PolarHBondContact O-N 2.85Å; I265-F268 PolarHBondContact O-N 2.79Å; R266-F268 VanDerWaalsContact C-N 3.29Å; R266-F268 PolarHBondContact O-N 3.07Å; F268-K270 VanDerWaalsContact C-N 3.28Å; F268-K270 PolarHBondContact O-N 3.32Å; F268-L271 HydrophobicContact CD2-CD2 4.49Å; F268-L271 WeakPolarHBondContact O-CB 3.44Å; F268-L271 PolarHBondContact O-N 3.08Å; F268-L272 HydrophobicContact CD1-CD1 4.19Å; F268-L272 HydrophobicContact CE1-CD1 3.66Å; F268-L272 HydrophobicContact CE1-CG 4.38Å; F268-L272 HydrophobicContact CZ-CD1 3.9Å; F268-L272 HydrophobicContact CZ-CD2 4.34Å; F268-L272 HydrophobicContact CZ-CG 4.27Å; F268-L272 WeakPolarHBondContact O-CG 3.43Å; F268-L272 PolarHBondContact O-N 3.31Å; F268-L272 VanDerWaalsContact O-N 3.09Å; F268-L285 HydrophobicContact CD2-CD2 4.44Å; F268-L285 HydrophobicContact CE2-CD2 3.67Å; F268-L285 HydrophobicContact CE2-CG 3.86Å; F268-L285 HydrophobicContact CZ-CD2 4.48Å; F268-L285 HydrophobicContact CZ-CG 4.44Å; F268-L287 HydrophobicContact CB-CD2 3.89Å; F268-L287 HydrophobicContact CD1-CB 3.83Å; F268-L287 HydrophobicContact CD1-CD2 4.11Å; F268-L287 HydrophobicContact CD2-CB 3.99Å; F268-L287 HydrophobicContact CE1-CB 3.85Å; F268-L287 HydrophobicContact CE2-CB 4.01Å; F268-L287 HydrophobicContact CG-CB 3.89Å; F268-L287 HydrophobicContact CG-CD2 3.99Å; F268-L287 HydrophobicContact CZ-CB 3.95Å; F268-R317 HydrophobicContact CE1-CB 3.74Å; F268-R317 HydrophobicContact CZ-CB 4.05Å; F268-V318 HydrophobicContact CD1-CG2 4Å; F268-V318 HydrophobicContact CE1-CG2 4.01Å
269A96.1Very high85.3Confident8 Ų848.3 Ų48.37%0.06626%0.26CS..Hα-helixtrans-57.3-44.4173.300000111.2I265 R266 L271 L272 D273 L312 V314I265-A269 WeakPolarHBondContact O-CB 3.22Å; I265-A269 PolarHBondContact O-N 3.17Å; R266-A269 PolarHBondContact O-N 3.48Å; A269-L271 VanDerWaalsContact C-N 3.32Å; A269-L271 PolarHBondContact O-N 2.94Å; A269-L272 WeakPolarHBondContact O-CB 3.1Å; A269-L272 PolarHBondContact O-N 3.01Å; A269-L272 VanDerWaalsContact O-N 3.08Å; A269-D273 PolarHBondContact O-N 3.28Å; A269-L312 HydrophobicContact CB-CB 4.18Å; A269-L312 HydrophobicContact CB-CD1 4.01Å; A269-V314 HydrophobicContact CB-CG1 3.88Å
270K95.6Very high83.2Confident62 Ų6250.1 Ų50.127%0.2729%0.291SS..Hα-helixtrans-62.2-36.3177.5-165.3167.1-150.91680113.4R266 A267 F268 D273 R274 E390 D391 A394R266-K270 WeakPolarHBondContact O-CB 3.47Å; R266-K270 PolarHBondContact O-N 3.03Å; A267-K270 PolarHBondContact O-N 3.27Å; F268-K270 VanDerWaalsContact C-N 3.28Å; F268-K270 PolarHBondContact O-N 3.32Å; K270-D273 PolarHBondContact O-N 3.23Å; K270-R274 WeakPolarHBondContact O-CG 3.4Å; K270-R274 PolarHBondContact O-N 2.99Å; K270-R274 VanDerWaalsContact O-N 3.17Å; K270-E390 HydrophobicContact CD-CB 4.39Å; K270-D391 WeakPolarHBondContact CD-OD1 3.5Å; K270-D391 WeakPolarHBondContact CE-OD1 3.35Å; K270-D391 IonicContact NZ-OD1 2.67Å; K270-D391 PolarHBondContact NZ-OD1 3.3Å; K270-D391 IonicContact NZ-OD2 3.83Å; K270-D391 PolarHBondContact NZ-OD2 2.79Å; K270-A394 HydrophobicContact CB-CB 4.1Å; K270-A394 HydrophobicContact CD-CB 4.46Å; K270-A394 HydrophobicContact CG-CB 4.15Å
271L93.8Very high81.1Confident1 Ų148.3 Ų48.31%0.00529%0.287CS..Hα-helixtrans-62.8-43.7172.3170.469.2000111.6I249 A267 F268 A269 D273 R274 K275 L285 A394 M397 E398 L401I249-L271 HydrophobicContact CD1-CD2 4.07Å; A267-L271 PolarHBondContact O-N 3.17Å; F268-L271 HydrophobicContact CD2-CD2 4.49Å; F268-L271 WeakPolarHBondContact O-CB 3.44Å; F268-L271 PolarHBondContact O-N 3.08Å; A269-L271 VanDerWaalsContact C-N 3.32Å; A269-L271 PolarHBondContact O-N 2.94Å; L271-D273 VanDerWaalsContact C-N 3.3Å; L271-D273 PolarHBondContact O-N 3.29Å; L271-R274 PolarHBondContact O-N 2.81Å; L271-K275 PolarHBondContact O-N 2.78Å; L271-L285 HydrophobicContact CD2-CD2 3.53Å; L271-L285 HydrophobicContact CG-CD2 4.32Å; L271-A394 HydrophobicContact CB-CB 4.39Å; L271-M397 HydrophobicContact CB-CE 4.11Å; L271-M397 HydrophobicContact CD1-CB 4.2Å; L271-M397 HydrophobicContact CD2-CB 3.69Å; L271-M397 HydrophobicContact CD2-CE 4.14Å; L271-M397 HydrophobicContact CD2-CG 4.45Å; L271-M397 HydrophobicContact CD2-SD 4.04Å; L271-M397 HydrophobicContact CG-CB 4.48Å; L271-E398 HydrophobicContact CD1-CB 3.9Å; L271-L401 HydrophobicContact CD2-CD1 4Å
272L91.1Very high78.9Confident20 Ų2051.4 Ų51.411%0.10530%0.298CS..Hα-helixtrans-65.2-34177.8-65.2177.6000112.3F268 A269 R282 L285 V314 R317F268-L272 HydrophobicContact CD1-CD1 4.19Å; F268-L272 HydrophobicContact CE1-CD1 3.66Å; F268-L272 HydrophobicContact CE1-CG 4.38Å; F268-L272 HydrophobicContact CZ-CD1 3.9Å; F268-L272 HydrophobicContact CZ-CD2 4.34Å; F268-L272 HydrophobicContact CZ-CG 4.27Å; F268-L272 WeakPolarHBondContact O-CG 3.43Å; F268-L272 PolarHBondContact O-N 3.31Å; F268-L272 VanDerWaalsContact O-N 3.09Å; A269-L272 WeakPolarHBondContact O-CB 3.1Å; A269-L272 PolarHBondContact O-N 3.01Å; A269-L272 VanDerWaalsContact O-N 3.08Å; L272-R282 PolarHBondContact O-NE 3.23Å; L272-R282 PolarHBondContact O-NH2 2.89Å; L272-L285 HydrophobicContact CD2-CB 4.47Å; L272-L285 HydrophobicContact CD2-CD2 4.14Å; L272-V314 HydrophobicContact CD1-CB 4.49Å; L272-V314 HydrophobicContact CD1-CG1 3.78Å; L272-R317 HydrophobicContact CD1-CB 4.49Å; L272-R317 HydrophobicContact CD1-CG 4.33Å
273D87.8Confident76.9Confident115 Ų11556.6 Ų56.662%0.61532%0.321SS*.Hα-helixtrans-65.8-42.4174.6-71.7-21.8000112.2A269 K270 L271 K275A269-D273 PolarHBondContact O-N 3.28Å; K270-D273 PolarHBondContact O-N 3.23Å; L271-D273 VanDerWaalsContact C-N 3.3Å; L271-D273 PolarHBondContact O-N 3.29Å; D273-K275 PolarHBondContact O-N 2.85Å
274R82.5Confident75.8Confident93 Ų9357.3 Ų57.335%0.35133%0.329SS..Hα-helixtrans-66.2-33.7-178.5-72.9176.1-176.2-1726.8113.8K270 L271 G276 D391 A395 E398K270-R274 WeakPolarHBondContact O-CG 3.4Å; K270-R274 PolarHBondContact O-N 2.99Å; K270-R274 VanDerWaalsContact O-N 3.17Å; L271-R274 PolarHBondContact O-N 2.81Å; R274-G276 VanDerWaalsContact C-N 3.33Å; R274-G276 PolarHBondContact O-N 2.77Å; R274-D391 IonicContact CZ-OD1 3.83Å; R274-D391 PolarHBondContact NH2-O 2.85Å; R274-D391 VanDerWaalsContact NH2-O 3.12Å; R274-D391 IonicContact NH2-OD1 3.81Å; R274-D391 PolarHBondContact NH2-OD1 2.93Å; R274-A395 VanDerWaalsContact NH1-CA 3.29Å; R274-A395 VanDerWaalsContact NH1-N 3.12Å; R274-E398 IonicContact NH1-OE2 3.22Å
275K69.2Low75.4Confident79 Ų7957.3 Ų57.334%0.34333%0.329SS..THydrogen-bonded Turntrans-73.5-15.4-177.3-96.3-166.4172.2-175.30115.1L271 D273L271-K275 PolarHBondContact O-N 2.78Å; D273-K275 PolarHBondContact O-N 2.85Å
276G58.8Low75.1Confident28 Ų2861.6 Ų61.629%0.28935%0.346SS..THydrogen-bonded Turntrans58.8-178.8-179.400000115.3R274 G278 R282R274-G276 VanDerWaalsContact C-N 3.33Å; R274-G276 PolarHBondContact O-N 2.77Å; G276-G278 PolarHBondContact O-N 3.49Å; G276-G278 VanDerWaalsContact O-N 3.07Å; G276-R282 WeakPolarHBondContact O-CD 3.26Å; G276-R282 PolarHBondContact O-NE 3.38Å
277D52Low75.1Confident144 Ų14457.5 Ų57.577%0.7733%0.33SS*.THydrogen-bonded Turntrans-80.739177.9-68-36.1000113.3R282D277-R282 IonicContact OD1-CZ 3.64Å; D277-R282 IonicContact OD1-NH1 3.82Å; D277-R282 PolarHBondContact OD1-NH1 2.81Å; D277-R282 IonicContact OD2-NH1 3.76Å
278G47.8Very low75.1Confident40 Ų4057.7 Ų57.741%0.41233%0.331SS..  trans-68.5141.6176.200000111.9G276 G280 G281G276-G278 PolarHBondContact O-N 3.49Å; G276-G278 VanDerWaalsContact O-N 3.07Å; G278-G280 PolarHBondContact O-N 2.87Å; G278-G281 PolarHBondContact O-N 2.8Å
279P40.2Very low75.1Confident147 Ų14757.7 Ų57.796%0.95533%0.331SS*.THydrogen-bonded Turntrans-65.4111.7177.910.2-3.7000109.5
280G51Low75.2Confident82 Ų8257.7 Ų57.785%0.84533%0.33SS*.THydrogen-bonded Turntrans111.9-2.7175.300000117G278G278-G280 PolarHBondContact O-N 2.87Å
281G52.5Low75.2Confident21 Ų2155.1 Ų55.122%0.21632%0.321CS..THydrogen-bonded Turntrans-104.4-36.8-166.700000118.1G278G278-G281 PolarHBondContact O-N 2.8Å
282R52.3Low75.1Confident72 Ų7256 Ų5627%0.27233%0.331SS..SBendtrans-93.4-29.2-171.5-86.6179.3165.4170.8-6.7114.4L272 G276 D277 A284 R317L272-R282 PolarHBondContact O-NE 3.23Å; L272-R282 PolarHBondContact O-NH2 2.89Å; G276-R282 WeakPolarHBondContact O-CD 3.26Å; G276-R282 PolarHBondContact O-NE 3.38Å; D277-R282 IonicContact OD1-CZ 3.64Å; D277-R282 IonicContact OD1-NH1 3.82Å; D277-R282 PolarHBondContact OD1-NH1 2.81Å; D277-R282 IonicContact OD2-NH1 3.76Å; R282-A284 PolarHBondContact O-N 3.17Å; R282-R317 PolarHBondContact O-NH1 3.32Å
283E55.5Low75.2Confident169 Ų16955.8 Ų55.879%0.7933%0.331SS*.THydrogen-bonded Turntrans-82.9-8.6-166.9-71.6-172.716400115.7R317E283-R317 VanDerWaalsContact CA-NH1 3.33Å; E283-R317 PolarHBondContact O-NH1 3.28Å
284A74.6Confident75.3Confident32 Ų3257.4 Ų57.426%0.26433%0.328SS..THydrogen-bonded Turntrans-117.14-173.900000115C246 Q247 R282C246-A284 CarbonylContact C-O 3.57Å; C246-A284 WeakPolarHBondContact CA-O 3.34Å; C246-A284 PolarHBondContact SG-O 2.94Å; Q247-A284 PolarHBondContact N-O 2.63Å; R282-A284 PolarHBondContact O-N 3.17Å
285L89.4Confident75.7Confident4 Ų455.8 Ų55.82%0.02133%0.326CS..EExtended strand (participates in β ladder)trans-99.9129.7-179.3-164.972.4000111.2Q247 I249 F268 L271 L272 L401Q247-L285 HydrophobicContact CB-CD1 3.74Å; Q247-L285 WeakPolarHBondContact O-CA 3.1Å; Q247-L285 WeakPolarHBondContact O-CD1 3.4Å; I249-L285 HydrophobicContact CD1-CD1 4.13Å; I249-L285 HydrophobicContact CD1-CD2 4.08Å; I249-L285 HydrophobicContact CD1-CG 4.29Å; I249-L285 HydrophobicContact CG1-CD1 4.29Å; F268-L285 HydrophobicContact CD2-CD2 4.44Å; F268-L285 HydrophobicContact CE2-CD2 3.67Å; F268-L285 HydrophobicContact CE2-CG 3.86Å; F268-L285 HydrophobicContact CZ-CD2 4.48Å; F268-L285 HydrophobicContact CZ-CG 4.44Å; L271-L285 HydrophobicContact CD2-CD2 3.53Å; L271-L285 HydrophobicContact CG-CD2 4.32Å; L272-L285 HydrophobicContact CD2-CB 4.47Å; L272-L285 HydrophobicContact CD2-CD2 4.14Å; L285-L401 HydrophobicContact CD1-CD1 4.01Å; L285-L401 HydrophobicContact CD1-CD2 4.05Å; L285-L401 HydrophobicContact CD2-CD1 4.07Å
286R94Very high76.9Confident90 Ų9057.3 Ų57.334%0.3434%0.335SS..EExtended strand (participates in β ladder)trans-128.2145.6176.8-69.7-179.7176.2-94.5-9.2111.6Q247 S248 I249 R317 D319Q247-R286 PolarHBondContact O-N 3.03Å; Q247-R286 VanDerWaalsContact O-N 3.11Å; S248-R286 WeakPolarHBondContact CA-O 3.35Å; I249-R286 PolarHBondContact N-O 3.29Å; R286-R317 WeakPolarHBondContact CA-O 3.3Å; R286-D319 IonicContact CZ-OD2 3.9Å; R286-D319 IonicContact NH1-OD1 2.71Å; R286-D319 IonicContact NH1-OD2 2.88Å; R286-D319 PolarHBondContact NH1-OD2 3.44Å
287L97.4Very high78.5Confident0 Ų061.6 Ų61.60%035%0.347CS..EExtended strand (participates in β ladder)trans-104.8120.3166.7174.863.9000108.9I249 I265 F268 L289 R317 V318 D319 L340I249-L287 HydrophobicContact CB-CD1 4.15Å; I249-L287 HydrophobicContact CG2-CD1 3.82Å; I249-L287 CarbonylContact O-C 3.59Å; I249-L287 WeakPolarHBondContact O-CA 3.46Å; I265-L287 HydrophobicContact CG1-CD2 4.29Å; F268-L287 HydrophobicContact CB-CD2 3.89Å; F268-L287 HydrophobicContact CD1-CB 3.83Å; F268-L287 HydrophobicContact CD1-CD2 4.11Å; F268-L287 HydrophobicContact CD2-CB 3.99Å; F268-L287 HydrophobicContact CE1-CB 3.85Å; F268-L287 HydrophobicContact CE2-CB 4.01Å; F268-L287 HydrophobicContact CG-CB 3.89Å; F268-L287 HydrophobicContact CG-CD2 3.99Å; F268-L287 HydrophobicContact CZ-CB 3.95Å; L287-L289 HydrophobicContact CD1-CD2 3.97Å; L287-L289 HydrophobicContact CD2-CD2 4.07Å; L287-L289 HydrophobicContact CD2-CG 4.35Å; L287-L289 HydrophobicContact CG-CD2 3.92Å; L287-L289 HydrophobicContact CG-CG 4.18Å; L287-R317 PolarHBondContact N-O 3.43Å; L287-V318 HydrophobicContact CB-CG2 4.24Å; L287-V318 HydrophobicContact CD2-CG1 4.23Å; L287-V318 HydrophobicContact CD2-CG2 4.26Å; L287-V318 HydrophobicContact CG-CG1 4.37Å; L287-V318 CarbonylContact O-C 3.51Å; L287-V318 VanDerWaalsContact O-CA 3.28Å; L287-V318 WeakPolarHBondContact O-CA 3.14Å; L287-D319 PolarHBondContact O-N 3.31Å; L287-L340 HydrophobicContact CD1-CD2 4.25Å
288V98.1Very high80.5Confident5 Ų554.7 Ų54.73%0.0331%0.311CS..EExtended strand (participates in β ladder)trans-108.3113.6177.9-1710000109I249 V250 S251 I290 D319 K321I249-V288 PolarHBondContact O-N 3.07Å; V250-V288 CarbonylContact C-O 3.51Å; V250-V288 WeakPolarHBondContact CA-O 3.29Å; V250-V288 HydrophobicContact CG2-CB 4.42Å; S251-V288 PolarHBondContact N-O 2.74Å; V288-I290 HydrophobicContact CG1-CD1 4.18Å; V288-I290 HydrophobicContact CG1-CG1 3.82Å; V288-D319 CarbonylContact C-O 3.53Å; V288-D319 WeakPolarHBondContact CA-O 3.45Å; V288-D319 HydrophobicContact CG1-CB 4.47Å; V288-D319 HydrophobicContact CG2-CB 4.42Å; V288-K321 HydrophobicContact CG1-CD 3.83Å; V288-K321 HydrophobicContact CG1-CG 4.12Å
289L98.4Very high82.8Confident0 Ų057.3 Ų57.30%031%0.312CS..EExtended strand (participates in β ladder)trans-99.6107.6177.8-60-177.4000109.4F255 I265 L287 V318 D319 F320 K321F255-L289 HydrophobicContact CE1-CB 4.24Å; F255-L289 HydrophobicContact CZ-CB 4.23Å; I265-L289 HydrophobicContact CD1-CD1 4.04Å; I265-L289 HydrophobicContact CG1-CD1 4.01Å; L287-L289 HydrophobicContact CD1-CD2 3.97Å; L287-L289 HydrophobicContact CD2-CD2 4.07Å; L287-L289 HydrophobicContact CD2-CG 4.35Å; L287-L289 HydrophobicContact CG-CD2 3.92Å; L287-L289 HydrophobicContact CG-CG 4.18Å; L289-V318 HydrophobicContact CD1-CG1 3.94Å; L289-V318 HydrophobicContact CG-CG1 4.19Å; L289-D319 PolarHBondContact N-O 3.43Å; L289-F320 HydrophobicContact CB-CD1 4.23Å; L289-F320 HydrophobicContact CD1-CD1 4.15Å; L289-F320 HydrophobicContact CD1-CE1 3.63Å; L289-F320 HydrophobicContact CD1-CZ 3.89Å; L289-F320 WeakPolarHBondContact O-CA 3.11Å; L289-K321 PolarHBondContact O-N 3.03Å
290I97.9Very high85.5Confident7 Ų754.1 Ų54.14%0.03629%0.287CS..EExtended strand (participates in β ladder)trans-108.1126.2-177.2-46.7179.7000109.3V250 S251 V252 G253 V288 K321 V324 L329 E332V250-I290 HydrophobicContact CG2-CD1 3.59Å; V250-I290 HydrophobicContact CG2-CG1 4.09Å; S251-I290 PolarHBondContact O-N 3.11Å; V252-I290 WeakPolarHBondContact CA-O 3.37Å; V252-I290 HydrophobicContact CG2-CB 4.42Å; G253-I290 PolarHBondContact N-O 3.08Å; V288-I290 HydrophobicContact CG1-CD1 4.18Å; V288-I290 HydrophobicContact CG1-CG1 3.82Å; I290-K321 WeakPolarHBondContact CA-O 3.44Å; I290-K321 HydrophobicContact CB-CB 4.43Å; I290-K321 HydrophobicContact CG1-CB 4.09Å; I290-K321 HydrophobicContact CG1-CD 4.45Å; I290-K321 HydrophobicContact CG2-CB 4.27Å; I290-V324 HydrophobicContact CG2-CG2 3.48Å; I290-V324 VanDerWaalsContact CG2-CG2 3.48Å; I290-L329 HydrophobicContact CB-CD1 4.38Å; I290-L329 HydrophobicContact CD1-CD1 4.05Å; I290-L329 HydrophobicContact CG2-CD1 3.89Å; I290-E332 HydrophobicContact CD1-CB 3.38Å; I290-E332 HydrophobicContact CD1-CG 3.68Å
291G94.6Very high87.6Confident8 Ų852.7 Ų52.78%0.08226%0.256CS..EExtended strand (participates in β ladder)trans-169.8155.3-174.200000115.8G253 F255 K321 L322 N323G253-G291 WeakPolarHBondContact O-CA 3.32Å; F255-G291 VanDerWaalsContact CE2-CA 3.46Å; G291-K321 PolarHBondContact N-O 3.08Å; G291-L322 WeakPolarHBondContact O-CA 3.45Å; G291-N323 PolarHBondContact O-N 2.89Å
292G92.6Very high89.8Confident21 Ų2151.9 Ų51.922%0.21625%0.247CC..  trans-82.5142.4173.300000112.7F255 N323F255-G292 PolarHBondContact N-O 2.89Å; G292-N323 WeakPolarHBondContact CA-OD1 3.42Å
293C93.6Very high91.9Very high14 Ų1453.9 Ų53.910%0.09526%0.262CS..  trans-114122.1164.9-67.40000108.8D298 E299 N323C293-D298 HydrophobicContact CB-CB 3.82Å; C293-E299 HydrophobicContact CB-CG 4.11Å; C293-N323 PolarHBondContact N-OD1 2.83Å
294R89.4Confident94Very high149 Ų14950.2 Ų50.256%0.56225%0.246SC*.  trans-101.3-23.2-173.8-61.5-178.7-73.6176.7-10.9113.4R256 D298R256-R294 VanDerWaalsContact NH2-NE 3.14Å; R294-D298 PolarHBondContact N-OD2 3.01Å; R294-D298 IonicContact NE-OD2 2.74Å
295N91.5Very high95.1Very high59 Ų5948.8 Ų48.832%0.31623%0.234SC..SBendtrans-156.2173.9-172.262.75000110R256 E297 D298 E299R256-N295 PolarHBondContact NH2-OD1 2.89Å; N295-E297 PolarHBondContact ND2-OE2 2.83Å; N295-E297 PolarHBondContact O-N 2.92Å; N295-E297 PolarHBondContact OD1-N 2.71Å; N295-D298 PolarHBondContact O-N 3.32Å; N295-D298 VanDerWaalsContact O-N 3.08Å; N295-D298 VanDerWaalsContact OD1-CG 3.28Å; N295-D298 PolarHBondContact OD1-N 3.18Å; N295-D298 VanDerWaalsContact OD1-N 3.11Å; N295-D298 PolarHBondContact OD1-OD1 2.68Å; N295-E299 PolarHBondContact O-N 3.24Å
296Q93.6Very high95.5Very high111 Ų11153.5 Ų53.552%0.51925%0.252SS..Hα-helixtrans-56.2-36.2179-16861.857.100112.8D298 E299 D300Q296-D298 VanDerWaalsContact C-N 3.27Å; Q296-D298 PolarHBondContact O-N 2.82Å; Q296-E299 PolarHBondContact NE2-OE2 2.9Å; Q296-E299 PolarHBondContact O-N 3.2Å; Q296-E299 VanDerWaalsContact O-N 3.17Å; Q296-D300 PolarHBondContact NE2-OD1 3.3Å; Q296-D300 WeakPolarHBondContact O-CB 3.39Å; Q296-D300 PolarHBondContact O-N 3.44Å
297E92.4Very high95.7Very high118 Ų11850.7 Ų50.755%0.55125%0.251SS*.Hα-helixtrans-63.5-31.3179-60.3174.6161.400113.4N295 R301N295-E297 PolarHBondContact ND2-OE2 2.83Å; N295-E297 PolarHBondContact O-N 2.92Å; N295-E297 PolarHBondContact OD1-N 2.71Å; E297-R301 WeakPolarHBondContact O-CB 3.43Å; E297-R301 PolarHBondContact O-N 3.38Å; E297-R301 PolarHBondContact O-NH1 3.34Å
298D94.4Very high95.8Very high0 Ų051 Ų510%025%0.252CS..Hα-helixtrans-73.8-41.3174.7-67.9-15.1000110.5R256 C293 R294 N295 Q296 R301 V302R256-D298 WeakPolarHBondContact CD-OD1 3.39Å; R256-D298 IonicContact CZ-OD1 2.69Å; R256-D298 IonicContact CZ-OD2 2.62Å; R256-D298 IonicContact NE-OD1 3.91Å; R256-D298 PolarHBondContact NE-OD1 2.93Å; R256-D298 IonicContact NE-OD2 3.8Å; R256-D298 PolarHBondContact NE-OD2 3.48Å; R256-D298 IonicContact NH1-OD1 3.37Å; R256-D298 IonicContact NH2-OD1 3.88Å; R256-D298 PolarHBondContact NH2-OD1 3.37Å; R256-D298 IonicContact NH2-OD2 3.11Å; R256-D298 PolarHBondContact NH2-OD2 3.37Å; C293-D298 HydrophobicContact CB-CB 3.82Å; R294-D298 PolarHBondContact N-OD2 3.01Å; R294-D298 IonicContact NE-OD2 2.74Å; N295-D298 PolarHBondContact O-N 3.32Å; N295-D298 VanDerWaalsContact O-N 3.08Å; N295-D298 VanDerWaalsContact OD1-CG 3.28Å; N295-D298 PolarHBondContact OD1-N 3.18Å; N295-D298 VanDerWaalsContact OD1-N 3.11Å; N295-D298 PolarHBondContact OD1-OD1 2.68Å; Q296-D298 VanDerWaalsContact C-N 3.27Å; Q296-D298 PolarHBondContact O-N 2.82Å; D298-R301 WeakPolarHBondContact O-CB 3.31Å; D298-R301 PolarHBondContact O-N 3.39Å; D298-R301 IonicContact OD1-NH1 2.76Å; D298-R301 PolarHBondContact OD1-NH1 3.38Å; D298-V302 PolarHBondContact O-N 3.36Å; D298-V302 VanDerWaalsContact O-N 3.08Å
299E95.4Very high95.8Very high94 Ų9450.9 Ų50.944%0.43925%0.252SS..Hα-helixtrans-63.6-46.1176.6-65.3-179.7-171.700111.9C293 N295 Q296 R301 V302 L303C293-E299 HydrophobicContact CB-CG 4.11Å; N295-E299 PolarHBondContact O-N 3.24Å; Q296-E299 PolarHBondContact NE2-OE2 2.9Å; Q296-E299 PolarHBondContact O-N 3.2Å; Q296-E299 VanDerWaalsContact O-N 3.17Å; E299-R301 PolarHBondContact O-N 2.97Å; E299-V302 WeakPolarHBondContact O-CB 3.31Å; E299-V302 PolarHBondContact O-N 3.47Å; E299-L303 PolarHBondContact O-N 3.47Å
300D96.6Very high95.8Very high80 Ų8057.8 Ų57.843%0.42828%0.284SS..Hα-helixtrans-60.5-35.1176.6-67-11.2000111.2Q296 L303 M304Q296-D300 PolarHBondContact NE2-OD1 3.3Å; Q296-D300 WeakPolarHBondContact O-CB 3.39Å; Q296-D300 PolarHBondContact O-N 3.44Å; D300-L303 PolarHBondContact O-N 2.93Å; D300-M304 PolarHBondContact O-N 3.21Å
301R96.3Very high95.8Very high53 Ų5364.5 Ų64.520%0.232%0.315CS..Hα-helixtrans-66.2-41.5174.3-175.2170.4-62.789.117111.7F255 P257 E297 D298 E299 L303 M304 L305F255-R301 WeakPolarHBondContact O-CD 3.06Å; F255-R301 PolarHBondContact O-NH1 2.93Å; P257-R301 VanDerWaalsContact CD-CZ 3.44Å; E297-R301 WeakPolarHBondContact O-CB 3.43Å; E297-R301 PolarHBondContact O-N 3.38Å; E297-R301 PolarHBondContact O-NH1 3.34Å; D298-R301 WeakPolarHBondContact O-CB 3.31Å; D298-R301 PolarHBondContact O-N 3.39Å; D298-R301 IonicContact OD1-NH1 2.76Å; D298-R301 PolarHBondContact OD1-NH1 3.38Å; E299-R301 PolarHBondContact O-N 2.97Å; R301-L303 VanDerWaalsContact C-N 3.29Å; R301-L303 PolarHBondContact O-N 3.36Å; R301-M304 HydrophobicContact CG-CE 4.29Å; R301-M304 PolarHBondContact O-N 3.29Å; R301-L305 HydrophobicContact CG-CD1 4.19Å; R301-L305 HydrophobicContact CG-CG 4.44Å; R301-L305 VanDerWaalsContact O-CG 3.24Å; R301-L305 WeakPolarHBondContact O-CG 3.44Å; R301-L305 PolarHBondContact O-N 2.74Å
302V97.6Very high95.9Very high4 Ų466.9 Ų66.92%0.02433%0.326CS..Hα-helixtrans-60-42.7173.9174.10000110.6F255 D298 E299 M304 L305 R306 F320 L322F255-V302 HydrophobicContact CB-CG2 3.96Å; F255-V302 HydrophobicContact CD1-CG2 3.72Å; F255-V302 HydrophobicContact CD2-CG2 3.73Å; F255-V302 HydrophobicContact CE1-CG2 4.12Å; F255-V302 HydrophobicContact CE2-CG2 4.14Å; F255-V302 HydrophobicContact CG-CG2 3.5Å; F255-V302 VanDerWaalsContact CG-CG2 3.5Å; F255-V302 HydrophobicContact CZ-CG2 4.32Å; D298-V302 PolarHBondContact O-N 3.36Å; D298-V302 VanDerWaalsContact O-N 3.08Å; E299-V302 WeakPolarHBondContact O-CB 3.31Å; E299-V302 PolarHBondContact O-N 3.47Å; V302-M304 VanDerWaalsContact C-N 3.35Å; V302-M304 PolarHBondContact O-N 3.24Å; V302-L305 PolarHBondContact O-N 2.67Å; V302-R306 HydrophobicContact CG1-CG 4.47Å; V302-R306 WeakPolarHBondContact O-CG 3.49Å; V302-R306 PolarHBondContact O-N 2.86Å; V302-F320 HydrophobicContact CG1-CD1 3.99Å; V302-F320 HydrophobicContact CG1-CE1 4.44Å; V302-L322 HydrophobicContact CG1-CD1 4.2Å; V302-L322 HydrophobicContact CG1-CD2 4.17Å; V302-L322 HydrophobicContact CG2-CD1 4.45Å; V302-L322 HydrophobicContact CG2-CD2 3.83Å
303L97.6Very high96Very high114 Ų11468.7 Ų68.760%0.59734%0.344SS*.Hα-helixtrans-60.2-44.2176.1-65.9176.1000112E299 D300 R301 L305 R306 G307E299-L303 PolarHBondContact O-N 3.47Å; D300-L303 PolarHBondContact O-N 2.93Å; R301-L303 VanDerWaalsContact C-N 3.29Å; R301-L303 PolarHBondContact O-N 3.36Å; L303-L305 PolarHBondContact O-N 3.12Å; L303-R306 PolarHBondContact O-N 3.22Å; L303-G307 PolarHBondContact O-N 3.19Å
304M98Very high96Very high92 Ų9268.3 Ų68.345%0.45334%0.342SS..Hα-helixtrans-61-43.7175.1-178.8-81.1-68.400111.9L262 D300 R301 V302 R306 G307 L308L262-M304 HydrophobicContact CD1-CE 4.38Å; L262-M304 HydrophobicContact CD2-CE 3.89Å; L262-M304 HydrophobicContact CD2-SD 3.76Å; L262-M304 HydrophobicContact CG-CE 4.35Å; D300-M304 PolarHBondContact O-N 3.21Å; R301-M304 HydrophobicContact CG-CE 4.29Å; R301-M304 PolarHBondContact O-N 3.29Å; V302-M304 VanDerWaalsContact C-N 3.35Å; V302-M304 PolarHBondContact O-N 3.24Å; M304-R306 PolarHBondContact O-N 2.67Å; M304-G307 PolarHBondContact O-N 2.94Å; M304-L308 PolarHBondContact O-N 2.82Å
305L98.4Very high96.3Very high2 Ų263.9 Ų63.91%0.0133%0.333CS..Hα-helixtrans-64.3-38.6177.6-67.3169.1000112.1F255 H261 L262 I265 R301 V302 L303 G307 L308 C309 F320F255-L305 HydrophobicContact CD1-CD1 3.83Å; F255-L305 HydrophobicContact CE1-CD1 4.24Å; H261-L305 HydrophobicContact CB-CD1 3.66Å; H261-L305 HydrophobicContact CB-CD2 3.8Å; H261-L305 HydrophobicContact CB-CG 4.41Å; L262-L305 HydrophobicContact CD2-CD2 3.68Å; L262-L305 HydrophobicContact CG-CD2 4.05Å; I265-L305 HydrophobicContact CD1-CB 3.95Å; I265-L305 HydrophobicContact CD1-CD2 3.8Å; I265-L305 HydrophobicContact CD1-CG 4.41Å; R301-L305 HydrophobicContact CG-CD1 4.19Å; R301-L305 HydrophobicContact CG-CG 4.44Å; R301-L305 VanDerWaalsContact O-CG 3.24Å; R301-L305 WeakPolarHBondContact O-CG 3.44Å; R301-L305 PolarHBondContact O-N 2.74Å; V302-L305 PolarHBondContact O-N 2.67Å; L303-L305 PolarHBondContact O-N 3.12Å; L305-G307 VanDerWaalsContact C-N 3.34Å; L305-L308 WeakPolarHBondContact O-CB 3.24Å; L305-L308 PolarHBondContact O-N 3.43Å; L305-C309 PolarHBondContact O-N 2.9Å; L305-C309 PolarHBondContact O-SG 3.43Å; L305-C309 VanDerWaalsContact O-SG 3.32Å; L305-F320 HydrophobicContact CB-CE1 3.69Å; L305-F320 HydrophobicContact CB-CZ 3.78Å; L305-F320 HydrophobicContact CD1-CE1 4.21Å
306R98.4Very high96.4Very high102 Ų10265.5 Ų65.539%0.38534%0.342SS..Hα-helixtrans-63.6-40172.5-71-179-175.4-78.28.9111.8V302 L303 M304 L308 C309 Q310 F320V302-R306 HydrophobicContact CG1-CG 4.47Å; V302-R306 WeakPolarHBondContact O-CG 3.49Å; V302-R306 PolarHBondContact O-N 2.86Å; L303-R306 PolarHBondContact O-N 3.22Å; M304-R306 PolarHBondContact O-N 2.67Å; R306-L308 VanDerWaalsContact C-N 3.33Å; R306-L308 PolarHBondContact O-N 2.92Å; R306-C309 WeakPolarHBondContact O-CB 3.31Å; R306-C309 PolarHBondContact O-N 2.74Å; R306-Q310 PolarHBondContact O-N 2.94Å; R306-Q310 VanDerWaalsContact O-N 3.1Å; R306-F320 HydrophobicContact CG-CD2 4.01Å; R306-F320 HydrophobicContact CG-CE2 3.76Å; R306-F320 HydrophobicContact CG-CZ 4.05Å
307G98.3Very high96.3Very high31 Ų3162.2 Ų62.232%0.3233%0.325SS..Hα-helixtrans-59.5-42.2172.400000112.4L303 M304 L305 C309 Q310 E311L303-G307 PolarHBondContact O-N 3.19Å; M304-G307 PolarHBondContact O-N 2.94Å; L305-G307 VanDerWaalsContact C-N 3.34Å; G307-C309 VanDerWaalsContact C-N 3.35Å; G307-C309 PolarHBondContact O-N 3.32Å; G307-Q310 WeakPolarHBondContact O-CB 3.38Å; G307-Q310 PolarHBondContact O-N 3.48Å; G307-Q310 VanDerWaalsContact O-N 3.1Å; G307-E311 PolarHBondContact O-N 2.99Å
308L98.3Very high96.5Very high7 Ų756.8 Ų56.84%0.03730%0.3CS..Hα-helixtrans-60.9-42.1173.2178.266.2000112L262 I265 R266 M304 L305 R306 Q310 E311 L312L262-L308 HydrophobicContact CD2-CD2 3.5Å; L262-L308 VanDerWaalsContact CD2-CD2 3.5Å; I265-L308 HydrophobicContact CB-CD2 4.1Å; I265-L308 HydrophobicContact CD1-CD2 4.37Å; I265-L308 HydrophobicContact CG2-CD2 3.98Å; I265-L308 HydrophobicContact CG2-CG 4.15Å; R266-L308 HydrophobicContact CG-CD2 4.34Å; M304-L308 PolarHBondContact O-N 2.82Å; L305-L308 WeakPolarHBondContact O-CB 3.24Å; L305-L308 PolarHBondContact O-N 3.43Å; R306-L308 VanDerWaalsContact C-N 3.33Å; R306-L308 PolarHBondContact O-N 2.92Å; L308-Q310 PolarHBondContact O-N 3.31Å; L308-E311 PolarHBondContact O-N 3.4Å; L308-L312 HydrophobicContact CD1-CD1 3.74Å; L308-L312 HydrophobicContact CD1-CG 3.92Å; L308-L312 HydrophobicContact CD2-CD1 4.36Å; L308-L312 HydrophobicContact CG-CD1 3.83Å; L308-L312 HydrophobicContact CG-CG 4.32Å; L308-L312 WeakPolarHBondContact O-CB 3.17Å; L308-L312 WeakPolarHBondContact O-CG 3.47Å; L308-L312 PolarHBondContact O-N 3.12Å
309C98.3Very high96.6Very high2 Ų259.5 Ų59.51%0.01431%0.314CS..Hα-helixtrans-61.1-31.5175.1-64.60000112.6L305 R306 G307 G313 V314 S315L305-C309 PolarHBondContact O-N 2.9Å; L305-C309 PolarHBondContact O-SG 3.43Å; L305-C309 VanDerWaalsContact O-SG 3.32Å; R306-C309 WeakPolarHBondContact O-CB 3.31Å; R306-C309 PolarHBondContact O-N 2.74Å; G307-C309 VanDerWaalsContact C-N 3.35Å; G307-C309 PolarHBondContact O-N 3.32Å; C309-G313 PolarHBondContact O-N 2.86Å; C309-V314 HydrophobicContact CB-CG2 4.11Å; C309-V314 PolarHBondContact O-N 3.49Å; C309-S315 PolarHBondContact O-N 3.04Å; C309-S315 PolarHBondContact O-OG 3.06Å; C309-S315 VanDerWaalsContact O-OG 3.04Å
310Q97.8Very high96.8Very high145 Ų14556.1 Ų56.168%0.67830%0.298SS*.Hα-helixtrans-72.1-46.3175.2-68.7175.5-4.500111R306 G307 L308 L312 G313 S315R306-Q310 PolarHBondContact O-N 2.94Å; R306-Q310 VanDerWaalsContact O-N 3.1Å; G307-Q310 WeakPolarHBondContact O-CB 3.38Å; G307-Q310 PolarHBondContact O-N 3.48Å; G307-Q310 VanDerWaalsContact O-N 3.1Å; L308-Q310 PolarHBondContact O-N 3.31Å; Q310-L312 VanDerWaalsContact C-N 3.27Å; Q310-L312 PolarHBondContact O-N 3.44Å; Q310-G313 PolarHBondContact O-N 3.17Å; Q310-G313 VanDerWaalsContact O-N 3.12Å; Q310-S315 VanDerWaalsContact CA-OG 3.24Å; Q310-S315 WeakPolarHBondContact CA-OG 3.45Å; Q310-S315 VanDerWaalsContact CG-OG 3.31Å; Q310-S315 WeakPolarHBondContact CG-OG 3.38Å; Q310-S315 PolarHBondContact N-OG 2.85Å; Q310-S315 VanDerWaalsContact N-OG 3.09Å
311E97.9Very high96.8Very high149 Ų14954.5 Ų54.570%0.69629%0.287SS*.Hα-helixtrans-57.4-41.5176.8-174.4-172.6161.500111.9G307 L308 G313G307-E311 PolarHBondContact O-N 2.99Å; L308-E311 PolarHBondContact O-N 3.4Å; E311-G313 VanDerWaalsContact C-N 3.34Å
312L96.6Very high96.9Very high58 Ų5855 Ų5530%0.30429%0.294SS..THydrogen-bonded Turntrans-85.3-2.1-179.7-63.6178.4000114I265 R266 A269 L308 Q310 V314I265-L312 HydrophobicContact CG2-CD1 3.98Å; R266-L312 HydrophobicContact CG-CD1 4.1Å; A269-L312 HydrophobicContact CB-CB 4.18Å; A269-L312 HydrophobicContact CB-CD1 4.01Å; L308-L312 HydrophobicContact CD1-CD1 3.74Å; L308-L312 HydrophobicContact CD1-CG 3.92Å; L308-L312 HydrophobicContact CD2-CD1 4.36Å; L308-L312 HydrophobicContact CG-CD1 3.83Å; L308-L312 HydrophobicContact CG-CG 4.32Å; L308-L312 WeakPolarHBondContact O-CB 3.17Å; L308-L312 WeakPolarHBondContact O-CG 3.47Å; L308-L312 PolarHBondContact O-N 3.12Å; Q310-L312 VanDerWaalsContact C-N 3.27Å; Q310-L312 PolarHBondContact O-N 3.44Å; L312-V314 VanDerWaalsContact C-N 3.32Å; L312-V314 HydrophobicContact CB-CG2 4.17Å; L312-V314 PolarHBondContact O-N 3.16Å
313G95Very high96.7Very high58 Ų5859.6 Ų59.660%0.59832%0.318SS*.THydrogen-bonded Turntrans67.526.3178.800000115C309 Q310 E311C309-G313 PolarHBondContact O-N 2.86Å; Q310-G313 PolarHBondContact O-N 3.17Å; Q310-G313 VanDerWaalsContact O-N 3.12Å; E311-G313 VanDerWaalsContact C-N 3.34Å
314V94.7Very high96.5Very high7 Ų755.7 Ų55.74%0.04230%0.299CS..  trans-114.914.5-177.7-60.70000113.4I265 A269 L272 C309 L312 D316 R317 V318I265-V314 HydrophobicContact CG2-CG2 4.27Å; A269-V314 HydrophobicContact CB-CG1 3.88Å; L272-V314 HydrophobicContact CD1-CB 4.49Å; L272-V314 HydrophobicContact CD1-CG1 3.78Å; C309-V314 HydrophobicContact CB-CG2 4.11Å; C309-V314 PolarHBondContact O-N 3.49Å; L312-V314 VanDerWaalsContact C-N 3.32Å; L312-V314 HydrophobicContact CB-CG2 4.17Å; L312-V314 PolarHBondContact O-N 3.16Å; V314-D316 VanDerWaalsContact C-N 3.26Å; V314-D316 PolarHBondContact O-N 2.87Å; V314-R317 WeakPolarHBondContact O-CA 3.33Å; V314-R317 WeakPolarHBondContact O-CB 3.34Å; V314-R317 PolarHBondContact O-N 2.94Å; V314-V318 HydrophobicContact CB-CG2 4.31Å; V314-V318 HydrophobicContact CG2-CG2 3.89Å; V314-V318 WeakPolarHBondContact O-CG2 3.42Å; V314-V318 PolarHBondContact O-N 3.33Å
315S95.6Very high96.4Very high56 Ų5655.2 Ų55.239%0.39230%0.302SS..THydrogen-bonded Turntrans-62.5-29.1-173.7-660000114.3C309 Q310 R317C309-S315 PolarHBondContact O-N 3.04Å; C309-S315 PolarHBondContact O-OG 3.06Å; C309-S315 VanDerWaalsContact O-OG 3.04Å; Q310-S315 VanDerWaalsContact CA-OG 3.24Å; Q310-S315 WeakPolarHBondContact CA-OG 3.45Å; Q310-S315 VanDerWaalsContact CG-OG 3.31Å; Q310-S315 WeakPolarHBondContact CG-OG 3.38Å; Q310-S315 PolarHBondContact N-OG 2.85Å; Q310-S315 VanDerWaalsContact N-OG 3.09Å; S315-R317 PolarHBondContact O-N 3.14Å
316D92.6Very high96Very high92 Ų9260 Ų6049%0.49232%0.323SS..THydrogen-bonded Turntrans-77.1-7.3175.263.4-51.3000113.2V314V314-D316 VanDerWaalsContact C-N 3.26Å; V314-D316 PolarHBondContact O-N 2.87Å
317R92.8Very high95.8Very high42 Ų4260.6 Ų60.616%0.15833%0.334CS..THydrogen-bonded Turntrans-117.9-8.1-173.1-54.7-62.1173.5166.8-2.8114.3F268 L272 R282 E283 R286 L287 V314 S315F268-R317 HydrophobicContact CE1-CB 3.74Å; F268-R317 HydrophobicContact CZ-CB 4.05Å; L272-R317 HydrophobicContact CD1-CB 4.49Å; L272-R317 HydrophobicContact CD1-CG 4.33Å; R282-R317 PolarHBondContact O-NH1 3.32Å; E283-R317 VanDerWaalsContact CA-NH1 3.33Å; E283-R317 PolarHBondContact O-NH1 3.28Å; R286-R317 WeakPolarHBondContact CA-O 3.3Å; L287-R317 PolarHBondContact N-O 3.43Å; V314-R317 WeakPolarHBondContact O-CA 3.33Å; V314-R317 WeakPolarHBondContact O-CB 3.34Å; V314-R317 PolarHBondContact O-N 2.94Å; S315-R317 PolarHBondContact O-N 3.14Å
318V96.6Very high95.6Very high5 Ų561.3 Ų61.33%0.0333%0.329CS..EExtended strand (participates in β ladder)trans-115.5110.9-179.4-174.20000110F268 L287 L289 V314 F320F268-V318 HydrophobicContact CD1-CG2 4Å; F268-V318 HydrophobicContact CE1-CG2 4.01Å; L287-V318 HydrophobicContact CB-CG2 4.24Å; L287-V318 HydrophobicContact CD2-CG1 4.23Å; L287-V318 HydrophobicContact CD2-CG2 4.26Å; L287-V318 HydrophobicContact CG-CG1 4.37Å; L287-V318 CarbonylContact O-C 3.51Å; L287-V318 VanDerWaalsContact O-CA 3.28Å; L287-V318 WeakPolarHBondContact O-CA 3.14Å; L289-V318 HydrophobicContact CD1-CG1 3.94Å; L289-V318 HydrophobicContact CG-CG1 4.19Å; V314-V318 HydrophobicContact CB-CG2 4.31Å; V314-V318 HydrophobicContact CG2-CG2 3.89Å; V314-V318 WeakPolarHBondContact O-CG2 3.42Å; V314-V318 PolarHBondContact O-N 3.33Å; V318-F320 HydrophobicContact CB-CE2 4.32Å; V318-F320 HydrophobicContact CG1-CD2 4.11Å; V318-F320 HydrophobicContact CG1-CE2 3.58Å; V318-F320 HydrophobicContact CG1-CZ 4.06Å
319D96.8Very high95.4Very high57 Ų5762.2 Ų62.231%0.30533%0.334SS..EExtended strand (participates in β ladder)trans-98.1125.9179-68.5-50.5000109.8R286 L287 V288 L289R286-D319 IonicContact CZ-OD2 3.9Å; R286-D319 IonicContact NH1-OD1 2.71Å; R286-D319 IonicContact NH1-OD2 2.88Å; R286-D319 PolarHBondContact NH1-OD2 3.44Å; L287-D319 PolarHBondContact O-N 3.31Å; V288-D319 CarbonylContact C-O 3.53Å; V288-D319 WeakPolarHBondContact CA-O 3.45Å; V288-D319 HydrophobicContact CG1-CB 4.47Å; V288-D319 HydrophobicContact CG2-CB 4.42Å; L289-D319 PolarHBondContact N-O 3.43Å
320F98.3Very high95.2Very high23 Ų2364.7 Ų64.710%0.10135%0.345CS..EExtended strand (participates in β ladder)trans-105.5117.4177.2-69.5-103.4000109.6F255 I265 L289 V302 L305 R306 V318 L322F255-F320 AromaticContact CE1-CD1 3.88Å; F255-F320 HydrophobicContact CE1-CD1 3.88Å; F255-F320 HydrophobicContact CE1-CE1 4.18Å; F255-F320 HydrophobicContact CZ-CD1 4.06Å; I265-F320 HydrophobicContact CD1-CZ 4.2Å; L289-F320 HydrophobicContact CB-CD1 4.23Å; L289-F320 HydrophobicContact CD1-CD1 4.15Å; L289-F320 HydrophobicContact CD1-CE1 3.63Å; L289-F320 HydrophobicContact CD1-CZ 3.89Å; L289-F320 WeakPolarHBondContact O-CA 3.11Å; V302-F320 HydrophobicContact CG1-CD1 3.99Å; V302-F320 HydrophobicContact CG1-CE1 4.44Å; L305-F320 HydrophobicContact CB-CE1 3.69Å; L305-F320 HydrophobicContact CB-CZ 3.78Å; L305-F320 HydrophobicContact CD1-CE1 4.21Å; R306-F320 HydrophobicContact CG-CD2 4.01Å; R306-F320 HydrophobicContact CG-CE2 3.76Å; R306-F320 HydrophobicContact CG-CZ 4.05Å; V318-F320 HydrophobicContact CB-CE2 4.32Å; V318-F320 HydrophobicContact CG1-CD2 4.11Å; V318-F320 HydrophobicContact CG1-CE2 3.58Å; V318-F320 HydrophobicContact CG1-CZ 4.06Å; F320-L322 HydrophobicContact CB-CD2 4.43Å
321K97.6Very high95.1Very high45 Ų4565.4 Ų65.420%0.19634%0.341CS..EExtended strand (participates in β ladder)trans-111.999.1-178.8-72.4-167.2173.2-139.40110.1V288 L289 I290 G291 V324 E328 E332V288-K321 HydrophobicContact CG1-CD 3.83Å; V288-K321 HydrophobicContact CG1-CG 4.12Å; L289-K321 PolarHBondContact O-N 3.03Å; I290-K321 WeakPolarHBondContact CA-O 3.44Å; I290-K321 HydrophobicContact CB-CB 4.43Å; I290-K321 HydrophobicContact CG1-CB 4.09Å; I290-K321 HydrophobicContact CG1-CD 4.45Å; I290-K321 HydrophobicContact CG2-CB 4.27Å; G291-K321 PolarHBondContact N-O 3.08Å; K321-V324 HydrophobicContact CB-CG1 3.73Å; K321-V324 HydrophobicContact CG-CG1 4.46Å; K321-E328 WeakPolarHBondContact CD-OE1 3.41Å; K321-E328 IonicContact NZ-OE1 2.71Å; K321-E328 PolarHBondContact NZ-OE1 3.46Å; K321-E332 HydrophobicContact CD-CG 3.95Å; K321-E332 VanDerWaalsContact CE-OE1 3.3Å; K321-E332 WeakPolarHBondContact CE-OE1 3.49Å; K321-E332 VanDerWaalsContact NZ-CD 3.35Å; K321-E332 IonicContact NZ-OE1 2.67Å; K321-E332 PolarHBondContact NZ-OE1 2.99Å
322L97.2Very high94.9Very high65 Ų6560.1 Ų60.134%0.3432%0.316SS..EExtended strand (participates in β ladder)trans-94.2130.1-172.6-48.7-175000111F255 G291 V302 F320 V324F255-L322 HydrophobicContact CD2-CD2 3.86Å; F255-L322 HydrophobicContact CE2-CD2 3.17Å; F255-L322 HydrophobicContact CZ-CD2 3.65Å; G291-L322 WeakPolarHBondContact O-CA 3.45Å; V302-L322 HydrophobicContact CG1-CD1 4.2Å; V302-L322 HydrophobicContact CG1-CD2 4.17Å; V302-L322 HydrophobicContact CG2-CD1 4.45Å; V302-L322 HydrophobicContact CG2-CD2 3.83Å; F320-L322 HydrophobicContact CB-CD2 4.43Å; L322-V324 PolarHBondContact O-N 2.83Å; L322-V324 VanDerWaalsContact O-N 3.11Å
323N93.4Very high94.9Very high99 Ų9957.3 Ų57.353%0.52930%0.302SS..SBendtrans51.335.7173.2-58.9-49.7000113.8G291 G292 C293G291-N323 PolarHBondContact O-N 2.89Å; G292-N323 WeakPolarHBondContact CA-OD1 3.42Å; C293-N323 PolarHBondContact N-OD1 2.83Å
324V94.6Very high94.8Very high33 Ų3356.3 Ų56.320%0.228%0.284CS..  trans-69.1149.2-178.3-62.10000111.7I290 K321 L322 E328 L329I290-V324 HydrophobicContact CG2-CG2 3.48Å; I290-V324 VanDerWaalsContact CG2-CG2 3.48Å; K321-V324 HydrophobicContact CB-CG1 3.73Å; K321-V324 HydrophobicContact CG-CG1 4.46Å; L322-V324 PolarHBondContact O-N 2.83Å; L322-V324 VanDerWaalsContact O-N 3.11Å; V324-E328 HydrophobicContact CB-CB 4.1Å; V324-E328 HydrophobicContact CB-CG 4.16Å; V324-E328 HydrophobicContact CG1-CG 4.4Å; V324-E328 HydrophobicContact CG2-CB 4.41Å; V324-E328 HydrophobicContact CG2-CG 4.47Å; V324-L329 HydrophobicContact CG2-CB 4.33Å
325P94.3Very high94.7Very high81 Ų8158.3 Ų58.353%0.52630%0.298SS..  trans-64156.9174.125.9-32.8000111.5D327 E328 L329P325-D327 VanDerWaalsContact C-N 3.27Å; P325-D327 PolarHBondContact O-N 3.11Å; P325-E328 HydrophobicContact CG-CB 4.16Å; P325-E328 WeakPolarHBondContact O-CB 3.36Å; P325-E328 PolarHBondContact O-N 2.81Å; P325-L329 PolarHBondContact O-N 3.43Å; P325-L329 VanDerWaalsContact O-N 3.08Å
326F91.3Very high94.6Very high102 Ų10255.8 Ų55.845%0.44728%0.28SS..Hα-helixtrans-55.2-39.2-177.1-179.7-101.6000113.2A208 F209 E328 L329 K330A208-F326 HydrophobicContact CB-CE1 3.96Å; A208-F326 HydrophobicContact CB-CZ 3.87Å; F209-F326 HydrophobicContact CE2-CE2 4.34Å; F209-F326 HydrophobicContact CE2-CZ 4.35Å; F209-F326 AromaticContact CZ-CE2 3.9Å; F209-F326 HydrophobicContact CZ-CE2 3.9Å; F209-F326 HydrophobicContact CZ-CZ 4.03Å; F326-E328 VanDerWaalsContact C-N 3.26Å; F326-E328 PolarHBondContact O-N 3.13Å; F326-L329 HydrophobicContact CD2-CD2 4.26Å; F326-L329 WeakPolarHBondContact O-CB 3.38Å; F326-L329 PolarHBondContact O-N 3.26Å; F326-K330 HydrophobicContact CE1-CB 4.48Å; F326-K330 HydrophobicContact CE1-CD 4.35Å; F326-K330 WeakPolarHBondContact O-CB 3.43Å; F326-K330 PolarHBondContact O-N 2.96Å
327D93.1Very high94.7Very high115 Ų11552.1 Ų52.162%0.61526%0.261SS*.Hα-helixtrans-64.5-29.9178.3-64.7-26.4000113.2P325 R331P325-D327 VanDerWaalsContact C-N 3.27Å; P325-D327 PolarHBondContact O-N 3.11Å; D327-R331 VanDerWaalsContact O-CG 3.29Å; D327-R331 WeakPolarHBondContact O-CG 3.45Å; D327-R331 PolarHBondContact O-N 3.47Å; D327-R331 PolarHBondContact O-NE 3.15Å; D327-R331 VanDerWaalsContact O-NE 3.15Å
328E94.4Very high95Very high47 Ų4750.1 Ų50.122%0.2225%0.254CS..Hα-helixtrans-76.1-44.9172.6-174.5174.6171.600111.2K321 V324 P325 F326 K330 R331 E332K321-E328 WeakPolarHBondContact CD-OE1 3.41Å; K321-E328 IonicContact NZ-OE1 2.71Å; K321-E328 PolarHBondContact NZ-OE1 3.46Å; V324-E328 HydrophobicContact CB-CB 4.1Å; V324-E328 HydrophobicContact CB-CG 4.16Å; V324-E328 HydrophobicContact CG1-CG 4.4Å; V324-E328 HydrophobicContact CG2-CB 4.41Å; V324-E328 HydrophobicContact CG2-CG 4.47Å; P325-E328 HydrophobicContact CG-CB 4.16Å; P325-E328 WeakPolarHBondContact O-CB 3.36Å; P325-E328 PolarHBondContact O-N 2.81Å; F326-E328 VanDerWaalsContact C-N 3.26Å; F326-E328 PolarHBondContact O-N 3.13Å; E328-K330 VanDerWaalsContact C-N 3.29Å; E328-K330 PolarHBondContact O-N 2.76Å; E328-R331 PolarHBondContact O-N 3.05Å; E328-E332 WeakPolarHBondContact O-CG 3.43Å; E328-E332 PolarHBondContact O-N 3.32Å
329L94.5Very high95.1Very high25 Ų2549.9 Ų49.913%0.13125%0.253CS..Hα-helixtrans-53.3-47.4172.9171.666.8000111.5V252 I290 V324 P325 F326 R331 E332 L333V252-L329 HydrophobicContact CB-CD1 4.34Å; V252-L329 HydrophobicContact CG1-CD1 3.73Å; V252-L329 HydrophobicContact CG2-CD1 3.6Å; I290-L329 HydrophobicContact CB-CD1 4.38Å; I290-L329 HydrophobicContact CD1-CD1 4.05Å; I290-L329 HydrophobicContact CG2-CD1 3.89Å; V324-L329 HydrophobicContact CG2-CB 4.33Å; P325-L329 PolarHBondContact O-N 3.43Å; P325-L329 VanDerWaalsContact O-N 3.08Å; F326-L329 HydrophobicContact CD2-CD2 4.26Å; F326-L329 WeakPolarHBondContact O-CB 3.38Å; F326-L329 PolarHBondContact O-N 3.26Å; L329-R331 PolarHBondContact O-N 3.43Å; L329-E332 PolarHBondContact O-N 2.81Å; L329-L333 HydrophobicContact CD1-CD1 3.99Å; L329-L333 HydrophobicContact CD1-CG 4.23Å; L329-L333 HydrophobicContact CG-CD1 4.07Å; L329-L333 WeakPolarHBondContact O-CB 3.32Å; L329-L333 PolarHBondContact O-N 3.36Å
330K94.8Very high95.1Very high55 Ų5547.4 Ų47.424%0.23924%0.239CC..Hα-helixtrans-60.2-46.1179.2177.6176.2166.9172.50111.9A208 F209 F326 E328 E332 L333 V334A208-K330 WeakPolarHBondContact O-CE 3.29Å; A208-K330 PolarHBondContact O-NZ 3.44Å; F209-K330 HydrophobicContact CD1-CG 4.21Å; F209-K330 HydrophobicContact CE1-CB 4.13Å; F209-K330 HydrophobicContact CE1-CG 4.12Å; F326-K330 HydrophobicContact CE1-CB 4.48Å; F326-K330 HydrophobicContact CE1-CD 4.35Å; F326-K330 WeakPolarHBondContact O-CB 3.43Å; F326-K330 PolarHBondContact O-N 2.96Å; E328-K330 VanDerWaalsContact C-N 3.29Å; E328-K330 PolarHBondContact O-N 2.76Å; K330-E332 PolarHBondContact O-N 3.24Å; K330-L333 PolarHBondContact O-N 3.18Å; K330-V334 HydrophobicContact CG-CG2 4.3Å; K330-V334 WeakPolarHBondContact O-CB 3.47Å; K330-V334 VanDerWaalsContact O-CG2 3.28Å; K330-V334 WeakPolarHBondContact O-CG2 3.41Å; K330-V334 PolarHBondContact O-N 3.19Å
331R94.4Very high95.1Very high160 Ų16047.2 Ų47.260%0.60424%0.239SC*.Hα-helixtrans-60.5-45177.8-77.4-178.8-65.6155.21.8112.2D327 E328 L329 S335D327-R331 VanDerWaalsContact O-CG 3.29Å; D327-R331 WeakPolarHBondContact O-CG 3.45Å; D327-R331 PolarHBondContact O-N 3.47Å; D327-R331 PolarHBondContact O-NE 3.15Å; D327-R331 VanDerWaalsContact O-NE 3.15Å; E328-R331 PolarHBondContact O-N 3.05Å; L329-R331 PolarHBondContact O-N 3.43Å; R331-S335 VanDerWaalsContact O-CB 3.29Å; R331-S335 WeakPolarHBondContact O-CB 3.25Å; R331-S335 PolarHBondContact O-N 2.58Å; R331-S335 PolarHBondContact O-OG 3Å; R331-S335 VanDerWaalsContact O-OG 3.13Å
332E95.4Very high95.2Very high37 Ų3745.1 Ų45.117%0.17323%0.23CC..Hα-helixtrans-62.6-48.2178.3-66.7-61.7145.900111.7V250 I290 K321 E328 L329 K330 S335 A336V250-E332 HydrophobicContact CG2-CB 4.45Å; I290-E332 HydrophobicContact CD1-CB 3.38Å; I290-E332 HydrophobicContact CD1-CG 3.68Å; K321-E332 HydrophobicContact CD-CG 3.95Å; K321-E332 VanDerWaalsContact CE-OE1 3.3Å; K321-E332 WeakPolarHBondContact CE-OE1 3.49Å; K321-E332 VanDerWaalsContact NZ-CD 3.35Å; K321-E332 IonicContact NZ-OE1 2.67Å; K321-E332 PolarHBondContact NZ-OE1 2.99Å; E328-E332 WeakPolarHBondContact O-CG 3.43Å; E328-E332 PolarHBondContact O-N 3.32Å; L329-E332 PolarHBondContact O-N 2.81Å; K330-E332 PolarHBondContact O-N 3.24Å; E332-S335 PolarHBondContact O-N 3.26Å; E332-S335 PolarHBondContact O-OG 3.4Å; E332-A336 WeakPolarHBondContact O-CB 3.44Å; E332-A336 PolarHBondContact O-N 2.97Å; E332-A336 VanDerWaalsContact O-N 3.16Å
333L94.9Very high95.1Very high0 Ų043 Ų430%022%0.218CC..Hα-helixtrans-59.1-49.5178.4-80.3175000112.3F209 V250 V252 L329 K330 S335 A336 A358 T360F209-L333 HydrophobicContact CD1-CD1 4.46Å; F209-L333 HydrophobicContact CE1-CB 4.34Å; F209-L333 HydrophobicContact CE1-CD1 3.54Å; F209-L333 HydrophobicContact CZ-CD1 3.71Å; V250-L333 HydrophobicContact CG1-CD2 3.76Å; V250-L333 HydrophobicContact CG2-CD2 4.4Å; V252-L333 HydrophobicContact CG2-CD1 4.32Å; V252-L333 HydrophobicContact CG2-CD2 3.7Å; V252-L333 HydrophobicContact CG2-CG 4.11Å; L329-L333 HydrophobicContact CD1-CD1 3.99Å; L329-L333 HydrophobicContact CD1-CG 4.23Å; L329-L333 HydrophobicContact CG-CD1 4.07Å; L329-L333 WeakPolarHBondContact O-CB 3.32Å; L329-L333 PolarHBondContact O-N 3.36Å; K330-L333 PolarHBondContact O-N 3.18Å; L333-S335 VanDerWaalsContact C-N 3.31Å; L333-S335 PolarHBondContact O-N 2.92Å; L333-A336 PolarHBondContact O-N 3.18Å; L333-A358 HydrophobicContact CB-CB 3.76Å; L333-T360 WeakPolarHBondContact O-CG2 3.08Å
334V94.3Very high95.1Very high37 Ų3743.6 Ų43.622%0.22421%0.213CC..Hα-helixtrans-62.7-38.7-179.6165.50000111.7V212 K330 A336V212-V334 HydrophobicContact CB-CG2 4.3Å; V212-V334 HydrophobicContact CG1-CG1 3.68Å; V212-V334 HydrophobicContact CG1-CG2 4.18Å; V212-V334 HydrophobicContact CG2-CG2 4.13Å; K330-V334 HydrophobicContact CG-CG2 4.3Å; K330-V334 WeakPolarHBondContact O-CB 3.47Å; K330-V334 VanDerWaalsContact O-CG2 3.28Å; K330-V334 WeakPolarHBondContact O-CG2 3.41Å; K330-V334 PolarHBondContact O-N 3.19Å; V334-A336 VanDerWaalsContact C-N 3.27Å; V334-A336 PolarHBondContact O-N 3.37Å
335S91.6Very high95Very high49 Ų4942.9 Ų42.934%0.34321%0.208SC..Hα-helixtrans-75-15.8-179.372.80000114R331 E332 L333R331-S335 VanDerWaalsContact O-CB 3.29Å; R331-S335 WeakPolarHBondContact O-CB 3.25Å; R331-S335 PolarHBondContact O-N 2.58Å; R331-S335 PolarHBondContact O-OG 3Å; R331-S335 VanDerWaalsContact O-OG 3.13Å; E332-S335 PolarHBondContact O-N 3.26Å; E332-S335 PolarHBondContact O-OG 3.4Å; L333-S335 VanDerWaalsContact C-N 3.31Å; L333-S335 PolarHBondContact O-N 2.92Å
336A94.8Very high95Very high2 Ų240.1 Ų40.12%0.01719%0.189CC..  trans-80.2146.6-170.700000113.5S248 V250 E332 L333 V334 T360S248-A336 VanDerWaalsContact OG-CA 3.32Å; S248-A336 WeakPolarHBondContact OG-CA 3.39Å; V250-A336 HydrophobicContact CB-CB 3.82Å; V250-A336 HydrophobicContact CG1-CB 3.39Å; E332-A336 WeakPolarHBondContact O-CB 3.44Å; E332-A336 PolarHBondContact O-N 2.97Å; E332-A336 VanDerWaalsContact O-N 3.16Å; L333-A336 PolarHBondContact O-N 3.18Å; V334-A336 VanDerWaalsContact C-N 3.27Å; V334-A336 PolarHBondContact O-N 3.37Å; A336-T360 HydrophobicContact CB-CG2 4.04Å
337T94.6Very high95.1Very high15 Ų1537 Ų379%0.09218%0.175CC..SBendtrans-82.2-42.7172.9-590000111.1S248 I361 L401S248-T337 PolarHBondContact O-N 3.28Å; T337-I361 PolarHBondContact O-N 3.43Å; T337-L401 HydrophobicContact CG2-CD2 4.27Å
338I98.1Very high95.1Very high0 Ų031.9 Ų31.90%015%0.147CC..EExtended strand (participates in β ladder)trans-123.1127.8-174.9-53.6-175000109.9S248 I249 V250 I361 L363 M397 I400 L401S248-I338 PolarHBondContact O-N 3.27Å; I249-I338 WeakPolarHBondContact CA-O 3.31Å; I249-I338 HydrophobicContact CB-CB 4.43Å; I249-I338 HydrophobicContact CD1-CD1 4.48Å; I249-I338 HydrophobicContact CG1-CB 4.11Å; I249-I338 HydrophobicContact CG1-CD1 4.17Å; I249-I338 HydrophobicContact CG1-CG1 4.34Å; I249-I338 HydrophobicContact CG2-CB 4.14Å; I249-I338 HydrophobicContact CG2-CG2 4.26Å; V250-I338 PolarHBondContact N-O 3.4Å; I338-I361 WeakPolarHBondContact CA-O 3.33Å; I338-I361 WeakPolarHBondContact CG2-O 3.32Å; I338-L363 HydrophobicContact CG2-CB 3.93Å; I338-M397 HydrophobicContact CD1-CB 4.12Å; I338-M397 HydrophobicContact CD1-CG 4.06Å; I338-I400 HydrophobicContact CD1-CB 3.88Å; I338-I400 HydrophobicContact CD1-CD1 4.05Å; I338-I400 HydrophobicContact CD1-CG2 3.76Å; I338-I400 HydrophobicContact CG1-CB 4.38Å; I338-I400 HydrophobicContact CG1-CD1 4.46Å; I338-I400 HydrophobicContact CG1-CG2 3.71Å; I338-I400 HydrophobicContact CG2-CD1 4.43Å; I338-L401 HydrophobicContact CD1-CD2 4.22Å; I338-L401 HydrophobicContact CD1-CG 4.18Å
339G98.3Very high95.1Very high1 Ų129.9 Ų29.91%0.0114%0.14CC..EExtended strand (participates in β ladder)trans-94.8113.4167.500000110T360 I361 V362 L363G339-T360 PolarHBondContact N-OG1 2.91Å; G339-I361 PolarHBondContact N-O 2.86Å; G339-I361 VanDerWaalsContact N-O 3.08Å; G339-V362 WeakPolarHBondContact O-CA 3.46Å; G339-L363 PolarHBondContact O-N 3.16Å
340L98.2Very high95.1Very high4 Ų431.5 Ų31.52%0.02115%0.148CC..EExtended strand (participates in β ladder)trans-102.5127.6-170.4-168.969.6000111.9I249 V250 S251 Q264 L287 L363 Y393I249-L340 HydrophobicContact CG2-CB 3.97Å; I249-L340 HydrophobicContact CG2-CD2 4.16Å; V250-L340 PolarHBondContact O-N 3.38Å; S251-L340 WeakPolarHBondContact CB-O 3.34Å; S251-L340 PolarHBondContact OG-O 3.25Å; Q264-L340 HydrophobicContact CB-CD2 3.74Å; Q264-L340 HydrophobicContact CG-CD2 3.75Å; Q264-L340 HydrophobicContact CG-CG 4.33Å; L287-L340 HydrophobicContact CD1-CD2 4.25Å; L340-L363 HydrophobicContact CD1-CB 4.18Å; L340-L363 HydrophobicContact CD1-CD2 3.9Å; L340-L363 HydrophobicContact CD1-CG 3.96Å; L340-Y393 HydrophobicContact CD1-CD1 3.65Å; L340-Y393 HydrophobicContact CD1-CE1 3.73Å
341H98.4Very high95.1Very high20 Ų2030 Ų309%0.09315%0.148CC..  trans-134.6129.1175.3176.5-78.7000110.8E346 V352 L363 A364 H365 Y393H341-E346 IonicContact CD2-OE2 3.57Å; H341-E346 IonicContact CE1-OE2 3.19Å; H341-E346 IonicContact NE2-OE2 2.94Å; H341-E346 PolarHBondContact NE2-OE2 3.22Å; H341-V352 HydrophobicContact CB-CG2 3.93Å; H341-L363 PolarHBondContact N-O 2.92Å; H341-A364 HydrophobicContact CB-CB 4.13Å; H341-A364 CarbonylContact O-C 3.56Å; H341-A364 VanDerWaalsContact O-CA 3.27Å; H341-A364 WeakPolarHBondContact O-CA 3.36Å; H341-H365 PolarHBondContact O-N 3.26Å; H341-Y393 PolarHBondContact O-OH 3.42Å
342T97.9Very high95.2Very high1 Ų122.5 Ų22.51%0.00612%0.12CC..  trans-124.81.9-17346.50000114.6K259 D260 L263 Q264 W344 Y393K259-T342 PolarHBondContact O-OG1 3.2Å; D260-T342 PolarHBondContact O-OG1 3.46Å; L263-T342 HydrophobicContact CB-CG2 4.32Å; L263-T342 HydrophobicContact CD2-CG2 3.96Å; L263-T342 HydrophobicContact CG-CG2 3.95Å; Q264-T342 HydrophobicContact CB-CG2 4.48Å; Q264-T342 HydrophobicContact CG-CG2 3.39Å; Q264-T342 WeakPolarHBondContact CG-OG1 3.4Å; Q264-T342 PolarHBondContact NE2-OG1 2.92Å; T342-W344 PolarHBondContact O-N 3.04Å; T342-W344 VanDerWaalsContact O-N 3.09Å; T342-Y393 WeakPolarHBondContact CA-OH 3.37Å; T342-Y393 HydrophobicContact CG2-CD1 4.49Å; T342-Y393 HydrophobicContact CG2-CE1 3.84Å; T342-Y393 HydrophobicContact CG2-CE2 4.12Å
343M96Very high95.3Very high19 Ų1920.7 Ų20.79%0.09411%0.112CC..  trans-67115-179.1175.2165.5174.600110.8E258 K259 E346 H365E258-M343 HydrophobicContact CB-CE 4.16Å; E258-M343 HydrophobicContact CB-SD 4.39Å; E258-M343 HydrophobicContact CG-CE 4.11Å; E258-M343 HydrophobicContact CG-SD 4.14Å; E258-M343 WeakPolarHBondContact O-CA 2.87Å; E258-M343 WeakPolarHBondContact O-CB 3.42Å; E258-M343 WeakPolarHBondContact O-CG 3.2Å; K259-M343 HydrophobicContact CD-CB 4.21Å; K259-M343 HydrophobicContact CD-SD 3.87Å; K259-M343 PolarHBondContact NZ-SD 3.32Å; K259-M343 VanDerWaalsContact NZ-SD 3.41Å; M343-E346 HydrophobicContact CB-CB 4.16Å; M343-E346 HydrophobicContact CG-CB 3.92Å; M343-E346 PolarHBondContact O-N 2.93Å; M343-E346 HydrophobicContact SD-CB 4.28Å; M343-E346 HydrophobicContact SD-CG 4.47Å; M343-H365 WeakPolarHBondContact O-CB 3.26Å
344W94.3Very high95.4Very high113 Ų11323 Ų2343%0.42812%0.122SC..THydrogen-bonded Turntrans-64.7133.4171.6179.980.8000110.4D127 F139 T342 E346 H365D127-W344 HydrophobicContact CB-CH2 4.17Å; F139-W344 HydrophobicContact CD2-CZ3 4.39Å; F139-W344 HydrophobicContact CE2-CE3 4.19Å; F139-W344 AromaticContact CE2-CZ3 3.69Å; F139-W344 HydrophobicContact CE2-CZ3 3.69Å; T342-W344 PolarHBondContact O-N 3.04Å; T342-W344 VanDerWaalsContact O-N 3.09Å; W344-E346 PolarHBondContact O-N 3.49Å; W344-H365 AromaticContact CD1-CE1 3.46Å; W344-H365 VanDerWaalsContact CD1-CE1 3.46Å; W344-H365 AromaticContact CD1-NE2 3.81Å
345N92.4Very high95.6Very high18 Ų1821.6 Ų21.610%0.09611%0.114CC..THydrogen-bonded Turntrans50.139.2-177.7-78.6-18.7000114D127 W182 H347 S367D127-N345 VanDerWaalsContact CG-ND2 3.25Å; D127-N345 PolarHBondContact OD2-ND2 2.95Å; W182-N345 HydrophobicContact CZ2-CB 3.9Å; W182-N345 PolarHBondContact NE1-OD1 2.95Å; N345-H347 PolarHBondContact O-CD2 3.47Å; N345-H347 VanDerWaalsContact O-CD2 3.28Å; N345-H347 PolarHBondContact O-N 3.17Å; N345-S367 PolarHBondContact N-OG 3.48Å; N345-S367 WeakPolarHBondContact OD1-CB 3.47Å
346E93.4Very high95.9Very high23 Ų2319.2 Ų19.211%0.10710%0.097CC..  trans-54128165.7-179.576.7-101.100109.8K259 H341 M343 W344 G368 G369 P370K259-E346 IonicContact NZ-OE1 2.85Å; K259-E346 IonicContact NZ-OE2 3.86Å; K259-E346 PolarHBondContact NZ-OE2 3.01Å; H341-E346 IonicContact CD2-OE2 3.57Å; H341-E346 IonicContact CE1-OE2 3.19Å; H341-E346 IonicContact NE2-OE2 2.94Å; H341-E346 PolarHBondContact NE2-OE2 3.22Å; M343-E346 HydrophobicContact CB-CB 4.16Å; M343-E346 HydrophobicContact CG-CB 3.92Å; M343-E346 PolarHBondContact O-N 2.93Å; M343-E346 HydrophobicContact SD-CB 4.28Å; M343-E346 HydrophobicContact SD-CG 4.47Å; W344-E346 PolarHBondContact O-N 3.49Å; E346-G368 CarbonylContact O-C 3.55Å; E346-G368 VanDerWaalsContact O-CA 3.26Å; E346-G368 WeakPolarHBondContact O-CA 3.48Å; E346-G369 PolarHBondContact O-N 3.33Å; E346-P370 HydrophobicContact CB-CG 3.91Å; E346-P370 HydrophobicContact CG-CG 4.14Å; E346-P370 WeakPolarHBondContact O-CD 3.49Å
347H92.4Very high96Very high37 Ų3719.1 Ų19.117%0.17110%0.097CC..SBendtrans-67.9-46.3-168.5-44.8139.2000111.3Y121 S180 W182 N345 G369Y121-H347 AromaticContact CD2-CD2 3.65Å; Y121-H347 AromaticContact CD2-CE1 2.87Å; Y121-H347 WeakPolarHBondContact CD2-CE1 3.27Å; Y121-H347 AromaticContact CD2-CG 3.89Å; Y121-H347 AromaticContact CD2-ND1 3.42Å; Y121-H347 WeakPolarHBondContact CD2-ND1 3.39Å; Y121-H347 AromaticContact CD2-NE2 3Å; Y121-H347 WeakPolarHBondContact CD2-NE2 3.37Å; Y121-H347 AromaticContact CE2-CD2 3.95Å; Y121-H347 AromaticContact CE2-CE1 3.34Å; Y121-H347 WeakPolarHBondContact CE2-CE1 3.35Å; Y121-H347 AromaticContact CE2-NE2 3.06Å; Y121-H347 WeakPolarHBondContact CE2-NE2 3.47Å; Y121-H347 AromaticContact CG-CE1 3.45Å; Y121-H347 VanDerWaalsContact CG-CE1 3.45Å; Y121-H347 AromaticContact CG-ND1 3.86Å; S180-H347 WeakPolarHBondContact CB-O 3.04Å; S180-H347 PolarHBondContact OG-O 3.25Å; W182-H347 HydrophobicContact CE3-CB 4.04Å; W182-H347 AromaticContact CE3-CD2 3.89Å; W182-H347 AromaticContact CH2-CD2 3.48Å; W182-H347 VanDerWaalsContact CH2-CD2 3.48Å; W182-H347 WeakPolarHBondContact CH2-CD2 3.33Å; W182-H347 HydrophobicContact CZ3-CB 4.06Å; W182-H347 AromaticContact CZ3-CD2 3.2Å; W182-H347 WeakPolarHBondContact CZ3-CD2 3.39Å; W182-H347 AromaticContact CZ3-CG 3.78Å; N345-H347 PolarHBondContact O-CD2 3.47Å; N345-H347 VanDerWaalsContact O-CD2 3.28Å; N345-H347 PolarHBondContact O-N 3.17Å; H347-G369 WeakPolarHBondContact O-CA 3.28Å; H347-G369 PolarHBondContact O-N 3.24Å
348F95.1Very high96.1Very high6 Ų618.6 Ų18.63%0.0269%0.093CC..SBendtrans-126.7-75.8173179.8-107.3000109.7Y201 P202 I350 V353 G369 P370 I374 F422Y201-F348 HydrophobicContact CD1-CD2 4.17Å; Y201-F348 AromaticContact CD1-CE2 3.72Å; Y201-F348 HydrophobicContact CD1-CE2 3.72Å; Y201-F348 HydrophobicContact CE1-CE2 4.42Å; Y201-F348 HydrophobicContact CG-CE2 4.3Å; P202-F348 HydrophobicContact CG-CB 4.32Å; P202-F348 HydrophobicContact CG-CD1 3.25Å; P202-F348 HydrophobicContact CG-CD2 4.25Å; P202-F348 HydrophobicContact CG-CE1 3.49Å; P202-F348 VanDerWaalsContact CG-CE1 3.49Å; P202-F348 HydrophobicContact CG-CE2 4.44Å; P202-F348 HydrophobicContact CG-CG 3.67Å; P202-F348 HydrophobicContact CG-CZ 4.09Å; F348-I350 HydrophobicContact CD1-CG1 3.9Å; F348-I350 HydrophobicContact CE1-CG1 4.17Å; F348-V353 HydrophobicContact CE1-CG2 3.87Å; F348-V353 HydrophobicContact CZ-CG2 3.98Å; F348-G369 CarbonylContact O-C 3.34Å; F348-G369 WeakPolarHBondContact O-CA 3.47Å; F348-P370 WeakPolarHBondContact O-CD 3.5Å; F348-I374 HydrophobicContact CD1-CD1 4.45Å; F348-I374 HydrophobicContact CD2-CD1 4.41Å; F348-I374 HydrophobicContact CE1-CD1 4.27Å; F348-I374 HydrophobicContact CE2-CD1 4.23Å; F348-I374 HydrophobicContact CE2-CG1 4.06Å; F348-I374 HydrophobicContact CZ-CD1 4.16Å; F348-I374 HydrophobicContact CZ-CG1 4.2Å; F348-I374 WeakPolarHBondContact O-CD1 3.33Å; F348-F422 AromaticContact CE2-CD1 3.9Å; F348-F422 HydrophobicContact CE2-CD1 3.9Å; F348-F422 AromaticContact CE2-CE1 3.7Å; F348-F422 HydrophobicContact CE2-CE1 3.7Å; F348-F422 HydrophobicContact CE2-CZ 4.25Å; F348-F422 HydrophobicContact CZ-CB 4.41Å; F348-F422 AromaticContact CZ-CD1 3.53Å; F348-F422 HydrophobicContact CZ-CD1 3.53Å; F348-F422 HydrophobicContact CZ-CD2 4.27Å; F348-F422 AromaticContact CZ-CE1 3.72Å; F348-F422 HydrophobicContact CZ-CE1 3.72Å; F348-F422 HydrophobicContact CZ-CE2 4.44Å; F348-F422 AromaticContact CZ-CG 3.81Å; F348-F422 HydrophobicContact CZ-CG 3.81Å; F348-F422 HydrophobicContact CZ-CZ 4.17Å
349G94.2Very high96Very high6 Ų618.7 Ų18.76%0.0629%0.094CC..  trans109.363.6176.900000113.8G351 V352 V353 I374G349-G351 VanDerWaalsContact C-N 3.26Å; G349-G351 PolarHBondContact O-N 3.41Å; G349-V352 WeakPolarHBondContact O-CA 3.35Å; G349-V352 WeakPolarHBondContact O-CB 3.35Å; G349-V352 PolarHBondContact O-N 2.87Å; G349-V353 PolarHBondContact O-N 3.24Å; G349-I374 WeakPolarHBondContact O-CD1 3.05Å
350I93.5Very high96Very high59 Ų5918.6 Ų18.630%0.3039%0.094SC..Hα-helixtrans-53.9-42.9179.3-62.1176.4000111.5P202 F348 V352 V353 E354P202-I350 HydrophobicContact CG-CG1 4.45Å; F348-I350 HydrophobicContact CD1-CG1 3.9Å; F348-I350 HydrophobicContact CE1-CG1 4.17Å; I350-V352 PolarHBondContact O-N 3.45Å; I350-V352 VanDerWaalsContact O-N 3.12Å; I350-V353 WeakPolarHBondContact O-CA 3.45Å; I350-V353 WeakPolarHBondContact O-CB 3.38Å; I350-V353 PolarHBondContact O-N 3.01Å; I350-E354 HydrophobicContact CG2-CG 4.31Å; I350-E354 PolarHBondContact O-N 3.44Å
351G94.3Very high96Very high23 Ų2318.4 Ų18.424%0.2379%0.093CC..Hα-helixtrans-60.4-24.417700000114.5G349 E354 C355G349-G351 VanDerWaalsContact C-N 3.26Å; G349-G351 PolarHBondContact O-N 3.41Å; G351-E354 WeakPolarHBondContact CA-OE2 3.34Å; G351-C355 WeakPolarHBondContact O-CB 3.38Å; G351-C355 PolarHBondContact O-N 2.9Å; G351-C355 PolarHBondContact O-SG 3.47Å
352V97.6Very high96Very high2 Ų217.5 Ų17.51%0.0129%0.089CC..Hα-helixtrans-71.7-40.3173-171.70000110.2H341 G349 I350 C355 M356 V362 A364 P370 I374 V375H341-V352 HydrophobicContact CB-CG2 3.93Å; G349-V352 WeakPolarHBondContact O-CA 3.35Å; G349-V352 WeakPolarHBondContact O-CB 3.35Å; G349-V352 PolarHBondContact O-N 2.87Å; I350-V352 PolarHBondContact O-N 3.45Å; I350-V352 VanDerWaalsContact O-N 3.12Å; V352-C355 WeakPolarHBondContact O-CB 3.43Å; V352-C355 PolarHBondContact O-N 3.41Å; V352-M356 WeakPolarHBondContact O-CG 3.3Å; V352-M356 PolarHBondContact O-N 3.34Å; V352-V362 HydrophobicContact CG1-CG1 3.45Å; V352-V362 VanDerWaalsContact CG1-CG1 3.45Å; V352-V362 HydrophobicContact CG1-CG2 4.43Å; V352-A364 HydrophobicContact CG1-CB 4.28Å; V352-P370 HydrophobicContact CG2-CG 4.28Å; V352-I374 HydrophobicContact CB-CD1 4.1Å; V352-I374 HydrophobicContact CB-CG2 4.24Å; V352-I374 HydrophobicContact CG1-CG2 3.72Å; V352-V375 HydrophobicContact CG1-CG2 4.2Å
353V97.8Very high96Very high0 Ų017.5 Ų17.50%09%0.089CC..Hα-helixtrans-66.2-41.8174.8-172.70000110.9C204 V206 F348 G349 I350 C355 M356 A357 I374 V419 F422C204-V353 HydrophobicContact CB-CB 4.46Å; C204-V353 HydrophobicContact CB-CG1 4.02Å; V206-V353 HydrophobicContact CG1-CG1 4.17Å; F348-V353 HydrophobicContact CE1-CG2 3.87Å; F348-V353 HydrophobicContact CZ-CG2 3.98Å; G349-V353 PolarHBondContact O-N 3.24Å; I350-V353 WeakPolarHBondContact O-CA 3.45Å; I350-V353 WeakPolarHBondContact O-CB 3.38Å; I350-V353 PolarHBondContact O-N 3.01Å; V353-C355 VanDerWaalsContact C-N 3.31Å; V353-C355 PolarHBondContact O-N 3.28Å; V353-M356 WeakPolarHBondContact O-CB 3.36Å; V353-M356 PolarHBondContact O-N 3.41Å; V353-A357 PolarHBondContact O-N 3.43Å; V353-I374 HydrophobicContact CG2-CD1 3.83Å; V353-I374 HydrophobicContact CG2-CG1 4.18Å; V353-I374 HydrophobicContact CG2-CG2 4.16Å; V353-V419 HydrophobicContact CG1-CB 3.96Å; V353-V419 HydrophobicContact CG1-CG1 4.2Å; V353-F422 HydrophobicContact CB-CD2 4.45Å; V353-F422 HydrophobicContact CG1-CB 4.48Å; V353-F422 HydrophobicContact CG1-CD2 3.73Å; V353-F422 HydrophobicContact CG2-CD2 3.77Å; V353-F422 HydrophobicContact CG2-CE2 4.04Å; V353-F422 HydrophobicContact CG2-CG 4.45Å
354E96.6Very high96.1Very high48 Ų4816.6 Ų16.622%0.2248%0.084CC..Hα-helixtrans-58.7-42.3173.3-66.8171.2164.900111.4V206 F209 I350 G351 A357 A358V206-E354 HydrophobicContact CG1-CG 4.31Å; F209-E354 HydrophobicContact CD2-CB 4.42Å; F209-E354 HydrophobicContact CE2-CB 3.96Å; F209-E354 HydrophobicContact CE2-CG 3.99Å; F209-E354 HydrophobicContact CZ-CB 4.49Å; I350-E354 HydrophobicContact CG2-CG 4.31Å; I350-E354 PolarHBondContact O-N 3.44Å; G351-E354 WeakPolarHBondContact CA-OE2 3.34Å; E354-A357 PolarHBondContact O-N 3.13Å; E354-A358 VanDerWaalsContact O-CB 3.31Å; E354-A358 WeakPolarHBondContact O-CB 3.29Å; E354-A358 PolarHBondContact O-N 3.27Å
355C97.6Very high96.3Very high7 Ų711.9 Ų11.95%0.0477%0.067CC..Hα-helixtrans-63.5-39.7175.4-71.40000112.8G351 V352 V353 A358 G359 T360 V362G351-C355 WeakPolarHBondContact O-CB 3.38Å; G351-C355 PolarHBondContact O-N 2.9Å; G351-C355 PolarHBondContact O-SG 3.47Å; V352-C355 WeakPolarHBondContact O-CB 3.43Å; V352-C355 PolarHBondContact O-N 3.41Å; V353-C355 VanDerWaalsContact C-N 3.31Å; V353-C355 PolarHBondContact O-N 3.28Å; C355-A358 PolarHBondContact O-N 2.95Å; C355-G359 PolarHBondContact O-N 2.96Å; C355-T360 WeakPolarHBondContact CB-OG1 3.36Å; C355-T360 PolarHBondContact O-N 2.99Å; C355-T360 VanDerWaalsContact O-N 3.13Å; C355-T360 PolarHBondContact O-OG1 3.3Å; C355-V362 HydrophobicContact CB-CG2 3.69Å
356M97.9Very high96.6Very high0 Ų015.8 Ų15.80%08%0.083CC..Hα-helixtrans-62.7-48.7173.9-69.9-174.116100110.8V352 V353 A358 G359 V362 I374 V375 A415 R416 V419V352-M356 WeakPolarHBondContact O-CG 3.3Å; V352-M356 PolarHBondContact O-N 3.34Å; V353-M356 WeakPolarHBondContact O-CB 3.36Å; V353-M356 PolarHBondContact O-N 3.41Å; M356-A358 VanDerWaalsContact C-N 3.3Å; M356-A358 PolarHBondContact O-N 2.95Å; M356-G359 PolarHBondContact O-N 3.1Å; M356-V362 HydrophobicContact CB-CG2 4.46Å; M356-V362 HydrophobicContact CE-CB 4.47Å; M356-V362 HydrophobicContact CG-CB 4.41Å; M356-V362 HydrophobicContact CG-CG2 3.56Å; M356-I374 HydrophobicContact CE-CG2 3.7Å; M356-I374 HydrophobicContact SD-CG2 3.66Å; M356-V375 HydrophobicContact CE-CB 4.36Å; M356-V375 HydrophobicContact CE-CG2 3.9Å; M356-A415 HydrophobicContact CB-CB 4.06Å; M356-A415 HydrophobicContact CG-CB 4Å; M356-A415 HydrophobicContact SD-CB 4.27Å; M356-R416 WeakPolarHBondContact O-CG 3.41Å; M356-V419 HydrophobicContact CB-CG1 3.79Å
357A97.7Very high96.8Very high0 Ų015.2 Ų15.20%08%0.081CC..Hα-helixtrans-63.3-35.8179.500000112.5V206 F209 L210 V353 E354 G359 R416 V419V206-A357 HydrophobicContact CB-CB 3.51Å; V206-A357 HydrophobicContact CG1-CB 3.93Å; V206-A357 HydrophobicContact CG2-CB 3.97Å; F209-A357 HydrophobicContact CB-CB 3.84Å; L210-A357 HydrophobicContact CD2-CB 3.95Å; L210-A357 HydrophobicContact CG-CB 4.17Å; V353-A357 PolarHBondContact O-N 3.43Å; E354-A357 PolarHBondContact O-N 3.13Å; A357-G359 PolarHBondContact O-N 2.87Å; A357-G359 VanDerWaalsContact O-N 3.17Å; A357-R416 VanDerWaalsContact O-CZ 3.25Å; A357-R416 PolarHBondContact O-NE 2.97Å; A357-R416 PolarHBondContact O-NH2 3.13Å; A357-V419 HydrophobicContact CB-CG1 4.5Å
358A97Very high97Very high3 Ų313.6 Ų13.63%0.0258%0.075CC..THydrogen-bonded Turntrans-69.8-6.4175.900000114F209 L333 E354 C355 M356F209-A358 HydrophobicContact CB-CB 4.27Å; F209-A358 HydrophobicContact CD1-CB 3.81Å; F209-A358 HydrophobicContact CE1-CB 4.48Å; F209-A358 HydrophobicContact CG-CB 4.21Å; L333-A358 HydrophobicContact CB-CB 3.76Å; E354-A358 VanDerWaalsContact O-CB 3.31Å; E354-A358 WeakPolarHBondContact O-CB 3.29Å; E354-A358 PolarHBondContact O-N 3.27Å; C355-A358 PolarHBondContact O-N 2.95Å; M356-A358 VanDerWaalsContact C-N 3.3Å; M356-A358 PolarHBondContact O-N 2.95Å
359G96.4Very high97.1Very high2 Ų213.3 Ų13.32%0.0217%0.074CC..THydrogen-bonded Turntrans80.824.2178.600000113.6L214 C355 M356 A357 K412L214-G359 VanDerWaalsContact CD2-CA 3.46Å; C355-G359 PolarHBondContact O-N 2.96Å; M356-G359 PolarHBondContact O-N 3.1Å; A357-G359 PolarHBondContact O-N 2.87Å; A357-G359 VanDerWaalsContact O-N 3.17Å; G359-K412 WeakPolarHBondContact O-CD 3.27Å; G359-K412 WeakPolarHBondContact O-CE 3.17Å; G359-K412 WeakPolarHBondContact O-CG 3.36Å; G359-K412 PolarHBondContact O-NZ 2.84Å
360T96.9Very high97.2Very high0 Ų013 Ų130%07%0.071CC..  trans-85.1153.1168.872.20000110.4V250 L333 A336 G339 C355 V362V250-T360 HydrophobicContact CG1-CG2 4.44Å; L333-T360 WeakPolarHBondContact O-CG2 3.08Å; A336-T360 HydrophobicContact CB-CG2 4.04Å; G339-T360 PolarHBondContact N-OG1 2.91Å; C355-T360 WeakPolarHBondContact CB-OG1 3.36Å; C355-T360 PolarHBondContact O-N 2.99Å; C355-T360 VanDerWaalsContact O-N 3.13Å; C355-T360 PolarHBondContact O-OG1 3.3Å; T360-V362 PolarHBondContact O-N 2.93Å
361I98.2Very high97.5Very high0 Ų014.4 Ų14.40%07%0.074CC..EExtended strand (participates in β ladder)trans-81.3110.7164.3-65.5169.9000107.8T337 I338 G339 L363 F385 I400 L403 R408 I411 K412T337-I361 PolarHBondContact O-N 3.43Å; I338-I361 WeakPolarHBondContact CA-O 3.33Å; I338-I361 WeakPolarHBondContact CG2-O 3.32Å; G339-I361 PolarHBondContact N-O 2.86Å; G339-I361 VanDerWaalsContact N-O 3.08Å; I361-L363 PolarHBondContact O-N 3.19Å; I361-F385 HydrophobicContact CG2-CD2 3.72Å; I361-F385 HydrophobicContact CG2-CE2 3.84Å; I361-I400 HydrophobicContact CB-CG2 3.98Å; I361-I400 HydrophobicContact CD1-CG2 3.76Å; I361-I400 HydrophobicContact CG1-CG2 4.48Å; I361-I400 HydrophobicContact CG2-CD1 3.93Å; I361-I400 HydrophobicContact CG2-CG1 3.96Å; I361-I400 HydrophobicContact CG2-CG2 3.96Å; I361-L403 HydrophobicContact CD1-CD1 4.47Å; I361-R408 HydrophobicContact CD1-CB 3.63Å; I361-R408 HydrophobicContact CD1-CG 3.47Å; I361-R408 VanDerWaalsContact CD1-CG 3.47Å; I361-I411 HydrophobicContact CG1-CG2 4.22Å; I361-I411 HydrophobicContact CG2-CG2 4.21Å; I361-K412 HydrophobicContact CG1-CG 4.01Å
362V98.3Very high97.6Very high1 Ų116.9 Ų16.91%0.0068%0.082CC..EExtended strand (participates in β ladder)trans-70.6130.7-178.5170.60000111G339 V352 C355 M356 T360 A364 V375 G384 F385G339-V362 WeakPolarHBondContact O-CA 3.46Å; V352-V362 HydrophobicContact CG1-CG1 3.45Å; V352-V362 VanDerWaalsContact CG1-CG1 3.45Å; V352-V362 HydrophobicContact CG1-CG2 4.43Å; C355-V362 HydrophobicContact CB-CG2 3.69Å; M356-V362 HydrophobicContact CB-CG2 4.46Å; M356-V362 HydrophobicContact CE-CB 4.47Å; M356-V362 HydrophobicContact CG-CB 4.41Å; M356-V362 HydrophobicContact CG-CG2 3.56Å; T360-V362 PolarHBondContact O-N 2.93Å; V362-A364 HydrophobicContact CG1-CB 3.96Å; V362-V375 HydrophobicContact CG1-CG2 3.83Å; V362-G384 CarbonylContact O-C 3.58Å; V362-G384 WeakPolarHBondContact O-CA 3.48Å; V362-F385 PolarHBondContact O-N 3.19Å
363L98.8Very high97.7Very high0 Ų016.9 Ų16.90%08%0.082CC..EExtended strand (participates in β ladder)trans-120.5101.9166.3174.655.3000108.7I338 G339 L340 H341 I361 F385 A387 Y393 A396 M397 I400I338-L363 HydrophobicContact CG2-CB 3.93Å; G339-L363 PolarHBondContact O-N 3.16Å; L340-L363 HydrophobicContact CD1-CB 4.18Å; L340-L363 HydrophobicContact CD1-CD2 3.9Å; L340-L363 HydrophobicContact CD1-CG 3.96Å; H341-L363 PolarHBondContact N-O 2.92Å; I361-L363 PolarHBondContact O-N 3.19Å; L363-F385 WeakPolarHBondContact CA-O 3.46Å; L363-F385 HydrophobicContact CD1-CB 3.71Å; L363-A387 HydrophobicContact CD1-CB 3.89Å; L363-Y393 HydrophobicContact CD1-CD1 4.16Å; L363-Y393 HydrophobicContact CD1-CE1 4.24Å; L363-Y393 HydrophobicContact CD2-CD1 3.68Å; L363-Y393 HydrophobicContact CD2-CE1 4.32Å; L363-Y393 HydrophobicContact CG-CD1 3.67Å; L363-Y393 HydrophobicContact CG-CE1 3.8Å; L363-A396 HydrophobicContact CD1-CB 3.59Å; L363-A396 HydrophobicContact CD2-CB 3.81Å; L363-A396 HydrophobicContact CG-CB 4.37Å; L363-M397 HydrophobicContact CD2-CG 3.49Å; L363-M397 VanDerWaalsContact CD2-CG 3.49Å; L363-I400 HydrophobicContact CB-CD1 4.21Å; L363-I400 HydrophobicContact CD2-CD1 4.44Å
364A98.6Very high97.7Very high0 Ų016.9 Ų16.90%08%0.082CC..EExtended strand (participates in β ladder)trans-114.5166.6-172.800000113.2H341 V352 V362 P370 V375 F385 L386 A387H341-A364 HydrophobicContact CB-CB 4.13Å; H341-A364 CarbonylContact O-C 3.56Å; H341-A364 VanDerWaalsContact O-CA 3.27Å; H341-A364 WeakPolarHBondContact O-CA 3.36Å; V352-A364 HydrophobicContact CG1-CB 4.28Å; V362-A364 HydrophobicContact CG1-CB 3.96Å; A364-P370 HydrophobicContact CB-CB 3.78Å; A364-V375 HydrophobicContact CB-CG2 4.03Å; A364-F385 PolarHBondContact N-O 3.46Å; A364-L386 HydrophobicContact CB-CD2 4.21Å; A364-L386 VanDerWaalsContact O-CA 3.32Å; A364-L386 WeakPolarHBondContact O-CA 3.44Å; A364-A387 PolarHBondContact O-N 3.03Å
365H98.6Very high97.8Very high15 Ų1515.1 Ų15.17%0.0698%0.075CC..EExtended strand (participates in β ladder)trans-67.6137.2177-165.9-70.8000111.2H341 M343 W344 S367 A387 Y393H341-H365 PolarHBondContact O-N 3.26Å; M343-H365 WeakPolarHBondContact O-CB 3.26Å; W344-H365 AromaticContact CD1-CE1 3.46Å; W344-H365 VanDerWaalsContact CD1-CE1 3.46Å; W344-H365 AromaticContact CD1-NE2 3.81Å; H365-S367 WeakPolarHBondContact ND1-CB 3.46Å; H365-S367 PolarHBondContact ND1-N 2.77Å; H365-S367 PolarHBondContact ND1-OG 3.08Å; H365-S367 PolarHBondContact O-N 3.32Å; H365-A387 CarbonylContact C-O 3.52Å; H365-A387 VanDerWaalsContact CA-O 3.27Å; H365-A387 WeakPolarHBondContact CA-O 3.38Å; H365-Y393 WeakPolarHBondContact CA-OH 3.42Å; H365-Y393 WeakPolarHBondContact CB-OH 3.22Å; H365-Y393 PolarHBondContact N-OH 2.65Å
366K98.3Very high97.8Very high99 Ų9916.5 Ų16.543%0.438%0.082SC..SBendtrans-75.949.1-179.3-163.1178.3179.7179.60112.9K371 L386 A387 D388K366-K371 HydrophobicContact CG-CD 3.93Å; K366-K371 VanDerWaalsContact O-CD 3.29Å; K366-K371 WeakPolarHBondContact O-CD 3.25Å; K366-L386 HydrophobicContact CB-CB 3.99Å; K366-L386 HydrophobicContact CG-CB 3.97Å; K366-L386 HydrophobicContact CG-CD1 4.4Å; K366-A387 WeakPolarHBondContact CB-O 3.29Å; K366-A387 PolarHBondContact N-O 3.23Å; K366-D388 HydrophobicContact CB-CB 4.16Å
367S96.8Very high97.8Very high11 Ų1121.2 Ų21.28%0.07711%0.113CC..SBendtrans-155.2170.4178.563.90000110.8N345 H365 P370 K371N345-S367 PolarHBondContact N-OG 3.48Å; N345-S367 WeakPolarHBondContact OD1-CB 3.47Å; H365-S367 WeakPolarHBondContact ND1-CB 3.46Å; H365-S367 PolarHBondContact ND1-N 2.77Å; H365-S367 PolarHBondContact ND1-OG 3.08Å; H365-S367 PolarHBondContact O-N 3.32Å; S367-P370 WeakPolarHBondContact O-CD 3.45Å; S367-K371 PolarHBondContact O-N 3.33Å
368G96Very high97.7Very high3 Ų323.1 Ų23.13%0.03112%0.122CC..Hα-helixtrans64.6-160170.400000114.5E346 P370 K371 L372E346-G368 CarbonylContact O-C 3.55Å; E346-G368 VanDerWaalsContact O-CA 3.26Å; E346-G368 WeakPolarHBondContact O-CA 3.48Å; G368-P370 VanDerWaalsContact C-CD 3.47Å; G368-K371 PolarHBondContact O-N 2.94Å; G368-L372 WeakPolarHBondContact O-CB 3.47Å; G368-L372 WeakPolarHBondContact O-CG 3.34Å; G368-L372 PolarHBondContact O-N 3.11Å
369G97.2Very high97.6Very high0 Ų030.4 Ų30.40%016%0.155CC..Hα-helixtrans-56-39.1173.900000114.6E346 H347 F348 K371 L372 D373 I374E346-G369 PolarHBondContact O-N 3.33Å; H347-G369 WeakPolarHBondContact O-CA 3.28Å; H347-G369 PolarHBondContact O-N 3.24Å; F348-G369 CarbonylContact O-C 3.34Å; F348-G369 WeakPolarHBondContact O-CA 3.47Å; G369-K371 VanDerWaalsContact C-N 3.27Å; G369-K371 PolarHBondContact O-N 2.95Å; G369-L372 PolarHBondContact O-N 3.41Å; G369-D373 WeakPolarHBondContact CA-OD2 3.45Å; G369-D373 WeakPolarHBondContact O-CB 3.26Å; G369-D373 PolarHBondContact O-N 3.24Å; G369-I374 PolarHBondContact O-N 3.49Å; G369-I374 VanDerWaalsContact O-N 3.11Å
370P98Very high97.6Very high0 Ų033.9 Ų33.90%019%0.191CC..Iπ-helixtrans-57.1-39.8177.2-28.136.4000113.2E346 F348 V352 A364 S367 G368 V375E346-P370 HydrophobicContact CB-CG 3.91Å; E346-P370 HydrophobicContact CG-CG 4.14Å; E346-P370 WeakPolarHBondContact O-CD 3.49Å; F348-P370 WeakPolarHBondContact O-CD 3.5Å; V352-P370 HydrophobicContact CG2-CG 4.28Å; A364-P370 HydrophobicContact CB-CB 3.78Å; S367-P370 WeakPolarHBondContact O-CD 3.45Å; G368-P370 VanDerWaalsContact C-CD 3.47Å; P370-V375 WeakPolarHBondContact O-CA 3.49Å; P370-V375 WeakPolarHBondContact O-CB 3.36Å; P370-V375 WeakPolarHBondContact O-CG2 3.46Å; P370-V375 PolarHBondContact O-N 3.07Å
371K98.2Very high97.6Very high88 Ų8837.1 Ų37.138%0.38320%0.203SC..Iπ-helixtrans-80.1-40.9177.9171.9179.4177.8-172.70113.7K366 S367 G368 G369 V376 L386K366-K371 HydrophobicContact CG-CD 3.93Å; K366-K371 VanDerWaalsContact O-CD 3.29Å; K366-K371 WeakPolarHBondContact O-CD 3.25Å; S367-K371 PolarHBondContact O-N 3.33Å; G368-K371 PolarHBondContact O-N 2.94Å; G369-K371 VanDerWaalsContact C-N 3.27Å; G369-K371 PolarHBondContact O-N 2.95Å; K371-V376 WeakPolarHBondContact O-CG1 3.44Å; K371-L386 HydrophobicContact CB-CD1 4.06Å; K371-L386 HydrophobicContact CB-CD2 4.37Å; K371-L386 HydrophobicContact CG-CD1 3.95Å
372L97.9Very high97.6Very high76 Ų7641.3 Ų41.340%0.39822%0.223SC..Iπ-helixtrans-87.8-27.6-168.2-63.9178.3000112.9T181 W182 G368 G369T181-L372 HydrophobicContact CG2-CB 4.32Å; T181-L372 HydrophobicContact CG2-CD1 4.26Å; W182-L372 HydrophobicContact CB-CD1 3.95Å; G368-L372 WeakPolarHBondContact O-CB 3.47Å; G368-L372 WeakPolarHBondContact O-CG 3.34Å; G368-L372 PolarHBondContact O-N 3.11Å; G369-L372 PolarHBondContact O-N 3.41Å
373D98.1Very high97.6Very high1 Ų141.4 Ų41.41%0.00522%0.224CC..Iπ-helixtrans-126.2-40.3-166.5-55.6-74000112.7S180 T181 Y201 G369 R421S180-D373 WeakPolarHBondContact CB-OD2 3.34Å; T181-D373 WeakPolarHBondContact CB-OD1 3.39Å; T181-D373 PolarHBondContact N-OD1 3.2Å; T181-D373 PolarHBondContact N-OD2 3.08Å; T181-D373 VanDerWaalsContact N-OD2 3.08Å; T181-D373 PolarHBondContact OG1-OD1 3.27Å; Y201-D373 HydrophobicContact CE1-CB 3.86Å; Y201-D373 WeakPolarHBondContact CE1-OD1 3.48Å; Y201-D373 PolarHBondContact OH-OD1 3.38Å; G369-D373 WeakPolarHBondContact CA-OD2 3.45Å; G369-D373 WeakPolarHBondContact O-CB 3.26Å; G369-D373 PolarHBondContact O-N 3.24Å; D373-R421 PolarHBondContact O-NH1 3.33Å; D373-R421 PolarHBondContact O-NH2 3.36Å
374I98.3Very high97.6Very high0 Ų041.8 Ų41.80%023%0.227CC..Iπ-helixtrans-94.3-66.3-169.1-55.9174.5000111.8F348 G349 V352 V353 M356 G369 V376 R421 F422F348-I374 HydrophobicContact CD1-CD1 4.45Å; F348-I374 HydrophobicContact CD2-CD1 4.41Å; F348-I374 HydrophobicContact CE1-CD1 4.27Å; F348-I374 HydrophobicContact CE2-CD1 4.23Å; F348-I374 HydrophobicContact CE2-CG1 4.06Å; F348-I374 HydrophobicContact CZ-CD1 4.16Å; F348-I374 HydrophobicContact CZ-CG1 4.2Å; F348-I374 WeakPolarHBondContact O-CD1 3.33Å; G349-I374 WeakPolarHBondContact O-CD1 3.05Å; V352-I374 HydrophobicContact CB-CD1 4.1Å; V352-I374 HydrophobicContact CB-CG2 4.24Å; V352-I374 HydrophobicContact CG1-CG2 3.72Å; V353-I374 HydrophobicContact CG2-CD1 3.83Å; V353-I374 HydrophobicContact CG2-CG1 4.18Å; V353-I374 HydrophobicContact CG2-CG2 4.16Å; M356-I374 HydrophobicContact CE-CG2 3.7Å; M356-I374 HydrophobicContact SD-CG2 3.66Å; G369-I374 PolarHBondContact O-N 3.49Å; G369-I374 VanDerWaalsContact O-N 3.11Å; I374-V376 PolarHBondContact O-N 2.91Å; I374-R421 PolarHBondContact O-NH2 3.03Å; I374-F422 HydrophobicContact CG1-CE2 4.39Å; I374-F422 HydrophobicContact CG1-CZ 4.17Å
375V98.4Very high97.6Very high12 Ų1243.2 Ų43.27%0.07323%0.234CC..SBendtrans-84.764.4-177.8-166.30000109.8V352 M356 V362 A364 P370 L386V352-V375 HydrophobicContact CG1-CG2 4.2Å; M356-V375 HydrophobicContact CE-CB 4.36Å; M356-V375 HydrophobicContact CE-CG2 3.9Å; V362-V375 HydrophobicContact CG1-CG2 3.83Å; A364-V375 HydrophobicContact CB-CG2 4.03Å; P370-V375 WeakPolarHBondContact O-CA 3.49Å; P370-V375 WeakPolarHBondContact O-CB 3.36Å; P370-V375 WeakPolarHBondContact O-CG2 3.46Å; P370-V375 PolarHBondContact O-N 3.07Å; V375-L386 HydrophobicContact CB-CD2 3.92Å; V375-L386 HydrophobicContact CB-CG 4.23Å; V375-L386 HydrophobicContact CG1-CD2 4.25Å; V375-L386 HydrophobicContact CG1-CG 4.12Å; V375-L386 HydrophobicContact CG2-CD2 4.2Å
376V97.8Very high97.6Very high35 Ų3545.2 Ų45.221%0.21224%0.244CC..SBendtrans-119.7152.5177.4-61.50000109.6K371 I374 H378 T383K371-V376 WeakPolarHBondContact O-CG1 3.44Å; I374-V376 PolarHBondContact O-N 2.91Å; V376-H378 PolarHBondContact O-N 3.05Å; V376-T383 PolarHBondContact N-OG1 2.98Å; V376-T383 VanDerWaalsContact O-CG2 3.24Å; V376-T383 WeakPolarHBondContact O-CG2 3.42Å; V376-T383 PolarHBondContact O-OG1 2.8Å
377P97.5Very high97.6Very high100 Ų10040.5 Ų40.565%0.64922%0.224SC*.  trans-56.3135.3176.9-24.834.3000111.9R381P377-R381 CarbonylContact C-O 3.56Å; P377-R381 WeakPolarHBondContact CA-O 3.28Å
378H96.8Very high97.7Very high40 Ų4044.1 Ų44.119%0.18524%0.243CC..BIsolated β-bridgetrans-113.2117.8174.5-172.663.4000108.3V376 G380 R381 T383V376-H378 PolarHBondContact O-N 3.05Å; H378-G380 PolarHBondContact O-N 3.14Å; H378-G380 VanDerWaalsContact O-N 3.12Å; H378-R381 PolarHBondContact N-O 3.31Å; H378-R381 WeakPolarHBondContact O-CB 3.43Å; H378-R381 PolarHBondContact O-N 2.93Å; H378-T383 HydrophobicContact CB-CG2 3.69Å
379E95.3Very high97.7Very high155 Ų15546.1 Ų46.172%0.72426%0.256SS*.THydrogen-bonded Turntrans52.634.6-174.3-54.5-174.6147.300113.5R381E379-R381 PolarHBondContact O-N 2.84Å; E379-R381 IonicContact OE2-CZ 2.83Å; E379-R381 IonicContact OE2-NH2 2.71Å; E379-R381 PolarHBondContact OE2-NH2 2.87Å
380G95.7Very high97.8Very high75 Ų7549.6 Ų49.677%0.77327%0.272SS*.THydrogen-bonded Turntrans79.1-6.4-176.700000115.1H378H378-G380 PolarHBondContact O-N 3.14Å; H378-G380 VanDerWaalsContact O-N 3.12Å
381R97.5Very high97.8Very high68 Ų6853.1 Ų53.126%0.25729%0.292SS..BIsolated β-bridgetrans-87.7147.6176.3-65.7176.3-75.4141.11.4111.6P377 H378 E379 A414 E417P377-R381 CarbonylContact C-O 3.56Å; P377-R381 WeakPolarHBondContact CA-O 3.28Å; H378-R381 PolarHBondContact N-O 3.31Å; H378-R381 WeakPolarHBondContact O-CB 3.43Å; H378-R381 PolarHBondContact O-N 2.93Å; E379-R381 PolarHBondContact O-N 2.84Å; E379-R381 IonicContact OE2-CZ 2.83Å; E379-R381 IonicContact OE2-NH2 2.71Å; E379-R381 PolarHBondContact OE2-NH2 2.87Å; R381-A414 HydrophobicContact CB-CB 3.68Å; R381-E417 IonicContact CZ-OE2 2.87Å; R381-E417 IonicContact NH1-OE1 3.96Å; R381-E417 IonicContact NH1-OE2 3.7Å; R381-E417 PolarHBondContact NH1-OE2 3.33Å; R381-E417 IonicContact NH2-OE2 2.73Å; R381-E417 PolarHBondContact NH2-OE2 2.94Å
382Q98.1Very high97.8Very high89 Ų8950.6 Ų50.642%0.41629%0.285SS..  trans-75.8135.4178.4-178.1177-7.900110.6G384 F385Q382-G384 WeakPolarHBondContact CG-O 3.48Å; Q382-G384 PolarHBondContact NE2-O 2.95Å; Q382-F385 VanDerWaalsContact NE2-CE1 3.34Å
383T98.4Very high97.8Very high3 Ų347 Ų472%0.01827%0.266CS..  trans-108.9-6-178.354.80000113.6V376 H378 A414 A415V376-T383 PolarHBondContact N-OG1 2.98Å; V376-T383 VanDerWaalsContact O-CG2 3.24Å; V376-T383 WeakPolarHBondContact O-CG2 3.42Å; V376-T383 PolarHBondContact O-OG1 2.8Å; H378-T383 HydrophobicContact CB-CG2 3.69Å; T383-A414 HydrophobicContact CG2-CB 4.34Å; T383-A415 WeakPolarHBondContact O-CB 3.28Å
384G98.4Very high97.8Very high7 Ų746.9 Ų46.97%0.07227%0.265CS..EExtended strand (participates in β ladder)trans164.1-164.6-179.700000112.5V362 Q382V362-G384 CarbonylContact O-C 3.58Å; V362-G384 WeakPolarHBondContact O-CA 3.48Å; Q382-G384 WeakPolarHBondContact CG-O 3.48Å; Q382-G384 PolarHBondContact NE2-O 2.95Å
385F98.8Very high97.7Very high31 Ų3148.4 Ų48.414%0.13628%0.278CS..EExtended strand (participates in β ladder)trans-126.5152.8-176.3-67.4-100.5000111.2I361 V362 L363 A364 Q382 A396 I399 I400 L403 I411I361-F385 HydrophobicContact CG2-CD2 3.72Å; I361-F385 HydrophobicContact CG2-CE2 3.84Å; V362-F385 PolarHBondContact O-N 3.19Å; L363-F385 WeakPolarHBondContact CA-O 3.46Å; L363-F385 HydrophobicContact CD1-CB 3.71Å; A364-F385 PolarHBondContact N-O 3.46Å; Q382-F385 VanDerWaalsContact NE2-CE1 3.34Å; F385-A396 HydrophobicContact CB-CB 4.43Å; F385-I399 HydrophobicContact CE1-CG2 3.97Å; F385-I399 HydrophobicContact CZ-CG2 4.2Å; F385-I400 HydrophobicContact CB-CD1 4.31Å; F385-I400 HydrophobicContact CD2-CD1 3.64Å; F385-I400 HydrophobicContact CD2-CG1 3.56Å; F385-I400 HydrophobicContact CE2-CD1 4.14Å; F385-I400 HydrophobicContact CE2-CG1 3.5Å; F385-I400 VanDerWaalsContact CE2-CG1 3.5Å; F385-I400 HydrophobicContact CG-CD1 4.02Å; F385-I400 HydrophobicContact CG-CG1 4.13Å; F385-I400 HydrophobicContact CZ-CG1 4Å; F385-L403 HydrophobicContact CZ-CD1 4.36Å; F385-I411 HydrophobicContact CE2-CD1 3.96Å; F385-I411 HydrophobicContact CZ-CD1 4.29Å
386L98.8Very high97.7Very high56 Ų5648.2 Ų48.229%0.29328%0.278SS..EExtended strand (participates in β ladder)trans-125.8134.3179.3-68171.7000110.8A364 K366 K371 V375A364-L386 HydrophobicContact CB-CD2 4.21Å; A364-L386 VanDerWaalsContact O-CA 3.32Å; A364-L386 WeakPolarHBondContact O-CA 3.44Å; K366-L386 HydrophobicContact CB-CB 3.99Å; K366-L386 HydrophobicContact CG-CB 3.97Å; K366-L386 HydrophobicContact CG-CD1 4.4Å; K371-L386 HydrophobicContact CB-CD1 4.06Å; K371-L386 HydrophobicContact CB-CD2 4.37Å; K371-L386 HydrophobicContact CG-CD1 3.95Å; V375-L386 HydrophobicContact CB-CD2 3.92Å; V375-L386 HydrophobicContact CB-CG 4.23Å; V375-L386 HydrophobicContact CG1-CD2 4.25Å; V375-L386 HydrophobicContact CG1-CG 4.12Å; V375-L386 HydrophobicContact CG2-CD2 4.2Å
387A98.6Very high97.7Very high1 Ų146.6 Ų46.61%0.00827%0.268CS..EExtended strand (participates in β ladder)trans-140.7166.7177.800000111.8L363 A364 H365 K366 Y393L363-A387 HydrophobicContact CD1-CB 3.89Å; A364-A387 PolarHBondContact O-N 3.03Å; H365-A387 CarbonylContact C-O 3.52Å; H365-A387 VanDerWaalsContact CA-O 3.27Å; H365-A387 WeakPolarHBondContact CA-O 3.38Å; K366-A387 WeakPolarHBondContact CB-O 3.29Å; K366-A387 PolarHBondContact N-O 3.23Å; A387-Y393 HydrophobicContact CB-CD1 3.81Å; A387-Y393 HydrophobicContact CB-CD2 3.49Å; A387-Y393 VanDerWaalsContact CB-CD2 3.49Å; A387-Y393 HydrophobicContact CB-CE1 3.99Å; A387-Y393 HydrophobicContact CB-CE2 3.64Å; A387-Y393 HydrophobicContact CB-CG 3.56Å
388D97.2Very high97.5Very high86 Ų8645.5 Ų45.546%0.4625%0.254SS..  trans-151.15.1-170.952.912.1000114K366 S392K366-D388 HydrophobicContact CB-CB 4.16Å; D388-S392 PolarHBondContact N-OG 3.42Å; D388-S392 PolarHBondContact OD1-OG 3.1Å
389S97.7Very high97.5Very high46 Ų4647.9 Ų47.932%0.32227%0.267SS..SBendtrans-152.9158.517969.50000110.2D391 S392 Y393S389-D391 PolarHBondContact O-N 3Å; S389-D391 VanDerWaalsContact O-N 3.11Å; S389-S392 PolarHBondContact N-OG 2.85Å; S389-S392 PolarHBondContact O-N 3.42Å; S389-S392 VanDerWaalsContact O-N 3.11Å; S389-S392 PolarHBondContact O-OG 2.81Å; S389-S392 PolarHBondContact OG-N 3.27Å; S389-S392 VanDerWaalsContact OG-N 3.13Å; S389-S392 PolarHBondContact OG-OG 2.81Å; S389-Y393 VanDerWaalsContact O-CD2 3.29Å; S389-Y393 WeakPolarHBondContact O-CD2 3.35Å; S389-Y393 PolarHBondContact O-N 3.06Å
390E97.9Very high97.5Very high72 Ų7240.5 Ų40.534%0.33623%0.233SC..Hα-helixtrans-50.2-39.7175.8-65.8173.6-162.600111.9L263 R266 K270 A394L263-E390 HydrophobicContact CD1-CB 4.26Å; L263-E390 HydrophobicContact CD1-CG 3.51Å; R266-E390 HydrophobicContact CB-CG 3.92Å; R266-E390 WeakPolarHBondContact CD-OE1 3.37Å; K270-E390 HydrophobicContact CD-CB 4.39Å; E390-A394 VanDerWaalsContact O-CB 3.28Å; E390-A394 WeakPolarHBondContact O-CB 3.31Å; E390-A394 PolarHBondContact O-N 2.81Å
391D97.8Very high97.3Very high75 Ų7537.8 Ų37.840%0.40120%0.2SC..Hα-helixtrans-69.5-44179.3-83.7-52000114.1K270 R274 S389 A395K270-D391 WeakPolarHBondContact CD-OD1 3.5Å; K270-D391 WeakPolarHBondContact CE-OD1 3.35Å; K270-D391 IonicContact NZ-OD1 2.67Å; K270-D391 PolarHBondContact NZ-OD1 3.3Å; K270-D391 IonicContact NZ-OD2 3.83Å; K270-D391 PolarHBondContact NZ-OD2 2.79Å; R274-D391 IonicContact CZ-OD1 3.83Å; R274-D391 PolarHBondContact NH2-O 2.85Å; R274-D391 VanDerWaalsContact NH2-O 3.12Å; R274-D391 IonicContact NH2-OD1 3.81Å; R274-D391 PolarHBondContact NH2-OD1 2.93Å; S389-D391 PolarHBondContact O-N 3Å; S389-D391 VanDerWaalsContact O-N 3.11Å; D391-A395 VanDerWaalsContact O-CB 3.31Å; D391-A395 WeakPolarHBondContact O-CB 3.25Å; D391-A395 PolarHBondContact O-N 2.93Å
392S98.4Very high97Very high34 Ų3438.5 Ų38.524%0.23822%0.221CC..Hα-helixtrans-71.1-34.4179.453.20000111.5D388 S389 A396D388-S392 PolarHBondContact N-OG 3.42Å; D388-S392 PolarHBondContact OD1-OG 3.1Å; S389-S392 PolarHBondContact N-OG 2.85Å; S389-S392 PolarHBondContact O-N 3.42Å; S389-S392 VanDerWaalsContact O-N 3.11Å; S389-S392 PolarHBondContact O-OG 2.81Å; S389-S392 PolarHBondContact OG-N 3.27Å; S389-S392 VanDerWaalsContact OG-N 3.13Å; S389-S392 PolarHBondContact OG-OG 2.81Å; S392-A396 VanDerWaalsContact O-CB 3.32Å; S392-A396 WeakPolarHBondContact O-CB 3.44Å; S392-A396 PolarHBondContact O-N 2.86Å
393Y98.6Very high96.8Very high0 Ų036.3 Ų36.30%021%0.212CC..Hα-helixtrans-66-49.9171.7-87.3-81.7000111.7L263 A267 L340 H341 T342 L363 H365 A387 S389 A395 A396 M397L263-Y393 HydrophobicContact CD1-CD2 4.37Å; L263-Y393 HydrophobicContact CD2-CD2 4.14Å; L263-Y393 HydrophobicContact CD2-CE2 3.8Å; L263-Y393 HydrophobicContact CG-CD2 4.3Å; L263-Y393 HydrophobicContact CG-CE2 4.37Å; A267-Y393 HydrophobicContact CB-CG 4.44Å; L340-Y393 HydrophobicContact CD1-CD1 3.65Å; L340-Y393 HydrophobicContact CD1-CE1 3.73Å; H341-Y393 PolarHBondContact O-OH 3.42Å; T342-Y393 WeakPolarHBondContact CA-OH 3.37Å; T342-Y393 HydrophobicContact CG2-CD1 4.49Å; T342-Y393 HydrophobicContact CG2-CE1 3.84Å; T342-Y393 HydrophobicContact CG2-CE2 4.12Å; L363-Y393 HydrophobicContact CD1-CD1 4.16Å; L363-Y393 HydrophobicContact CD1-CE1 4.24Å; L363-Y393 HydrophobicContact CD2-CD1 3.68Å; L363-Y393 HydrophobicContact CD2-CE1 4.32Å; L363-Y393 HydrophobicContact CG-CD1 3.67Å; L363-Y393 HydrophobicContact CG-CE1 3.8Å; H365-Y393 WeakPolarHBondContact CA-OH 3.42Å; H365-Y393 WeakPolarHBondContact CB-OH 3.22Å; H365-Y393 PolarHBondContact N-OH 2.65Å; A387-Y393 HydrophobicContact CB-CD1 3.81Å; A387-Y393 HydrophobicContact CB-CD2 3.49Å; A387-Y393 VanDerWaalsContact CB-CD2 3.49Å; A387-Y393 HydrophobicContact CB-CE1 3.99Å; A387-Y393 HydrophobicContact CB-CE2 3.64Å; A387-Y393 HydrophobicContact CB-CG 3.56Å; S389-Y393 VanDerWaalsContact O-CD2 3.29Å; S389-Y393 WeakPolarHBondContact O-CD2 3.35Å; S389-Y393 PolarHBondContact O-N 3.06Å; Y393-A395 VanDerWaalsContact C-N 3.31Å; Y393-A395 PolarHBondContact O-N 3.04Å; Y393-A396 PolarHBondContact O-N 3.03Å; Y393-M397 WeakPolarHBondContact O-CG 3.39Å; Y393-M397 PolarHBondContact O-N 2.9Å
394A97.6Very high96.5Very high0 Ų040 Ų400%024%0.235CC..Hα-helixtrans-59-42.4178.200000112K270 L271 E390 M397 E398K270-A394 HydrophobicContact CB-CB 4.1Å; K270-A394 HydrophobicContact CD-CB 4.46Å; K270-A394 HydrophobicContact CG-CB 4.15Å; L271-A394 HydrophobicContact CB-CB 4.39Å; E390-A394 VanDerWaalsContact O-CB 3.28Å; E390-A394 WeakPolarHBondContact O-CB 3.31Å; E390-A394 PolarHBondContact O-N 2.81Å; A394-M397 PolarHBondContact O-N 3.27Å; A394-E398 WeakPolarHBondContact O-CB 3.41Å; A394-E398 PolarHBondContact O-N 3.03Å
395A97Very high96.1Very high32 Ų3244.1 Ų44.126%0.26426%0.26SS..Hα-helixtrans-64.4-43.6176.800000112.3R274 D391 Y393 E398 I399R274-A395 VanDerWaalsContact NH1-CA 3.29Å; R274-A395 VanDerWaalsContact NH1-N 3.12Å; D391-A395 VanDerWaalsContact O-CB 3.31Å; D391-A395 WeakPolarHBondContact O-CB 3.25Å; D391-A395 PolarHBondContact O-N 2.93Å; Y393-A395 VanDerWaalsContact C-N 3.31Å; Y393-A395 PolarHBondContact O-N 3.04Å; A395-E398 WeakPolarHBondContact O-CB 3.5Å; A395-E398 PolarHBondContact O-N 3.39Å; A395-I399 WeakPolarHBondContact O-CG1 3.42Å; A395-I399 PolarHBondContact O-N 3.39Å
396A98.2Very high95.9Very high8 Ų846 Ų467%0.06628%0.277CS..Hα-helixtrans-65.6-41.8178.600000111.9L363 F385 S392 Y393 E398 I399 I400L363-A396 HydrophobicContact CD1-CB 3.59Å; L363-A396 HydrophobicContact CD2-CB 3.81Å; L363-A396 HydrophobicContact CG-CB 4.37Å; F385-A396 HydrophobicContact CB-CB 4.43Å; S392-A396 VanDerWaalsContact O-CB 3.32Å; S392-A396 WeakPolarHBondContact O-CB 3.44Å; S392-A396 PolarHBondContact O-N 2.86Å; Y393-A396 PolarHBondContact O-N 3.03Å; A396-E398 VanDerWaalsContact C-N 3.32Å; A396-E398 PolarHBondContact O-N 3.29Å; A396-I399 PolarHBondContact O-N 3.19Å; A396-I400 WeakPolarHBondContact O-CD1 3.49Å; A396-I400 WeakPolarHBondContact O-CG1 3.2Å; A396-I400 PolarHBondContact O-N 3.43Å
397M96.9Very high95.7Very high0 Ų045 Ų450%028%0.277CS..Hα-helixtrans-60-43.3174.5-68.9-175.4-72.200111.5I249 A267 L271 I338 L363 Y393 A394 I399 I400 L401I249-M397 HydrophobicContact CD1-SD 3.69Å; A267-M397 HydrophobicContact CB-CE 3.89Å; A267-M397 WeakPolarHBondContact O-CE 3.37Å; L271-M397 HydrophobicContact CB-CE 4.11Å; L271-M397 HydrophobicContact CD1-CB 4.2Å; L271-M397 HydrophobicContact CD2-CB 3.69Å; L271-M397 HydrophobicContact CD2-CE 4.14Å; L271-M397 HydrophobicContact CD2-CG 4.45Å; L271-M397 HydrophobicContact CD2-SD 4.04Å; L271-M397 HydrophobicContact CG-CB 4.48Å; I338-M397 HydrophobicContact CD1-CB 4.12Å; I338-M397 HydrophobicContact CD1-CG 4.06Å; L363-M397 HydrophobicContact CD2-CG 3.49Å; L363-M397 VanDerWaalsContact CD2-CG 3.49Å; Y393-M397 WeakPolarHBondContact O-CG 3.39Å; Y393-M397 PolarHBondContact O-N 2.9Å; A394-M397 PolarHBondContact O-N 3.27Å; M397-I399 PolarHBondContact O-N 3.28Å; M397-I400 PolarHBondContact O-N 3.33Å; M397-L401 WeakPolarHBondContact O-CB 3.41Å; M397-L401 WeakPolarHBondContact O-CD1 3.24Å; M397-L401 WeakPolarHBondContact O-CG 3.43Å; M397-L401 PolarHBondContact O-N 2.72Å
398E94.1Very high95.6Very high78 Ų7847.2 Ų47.236%0.36429%0.285SS..Hα-helixtrans-59.7-46.2176.2-175176-173.200112.2L271 R274 A394 A395 A396 L401 A402L271-E398 HydrophobicContact CD1-CB 3.9Å; R274-E398 IonicContact NH1-OE2 3.22Å; A394-E398 WeakPolarHBondContact O-CB 3.41Å; A394-E398 PolarHBondContact O-N 3.03Å; A395-E398 WeakPolarHBondContact O-CB 3.5Å; A395-E398 PolarHBondContact O-N 3.39Å; A396-E398 VanDerWaalsContact C-N 3.32Å; A396-E398 PolarHBondContact O-N 3.29Å; E398-L401 PolarHBondContact O-N 2.94Å; E398-A402 WeakPolarHBondContact O-CB 3.23Å; E398-A402 PolarHBondContact O-N 3.48Å; E398-A402 VanDerWaalsContact O-N 3.08Å
399I95.7Very high95.5Very high90 Ų9043.6 Ų43.646%0.46227%0.265SS..Hα-helixtrans-58.5-51.1175.4-69.5163.8000110.5F385 A395 A396 M397 L401 A402 L403F385-I399 HydrophobicContact CE1-CG2 3.97Å; F385-I399 HydrophobicContact CZ-CG2 4.2Å; A395-I399 WeakPolarHBondContact O-CG1 3.42Å; A395-I399 PolarHBondContact O-N 3.39Å; A396-I399 PolarHBondContact O-N 3.19Å; M397-I399 PolarHBondContact O-N 3.28Å; I399-L401 VanDerWaalsContact C-N 3.31Å; I399-L401 PolarHBondContact O-N 3.18Å; I399-A402 PolarHBondContact O-N 3.29Å; I399-A402 VanDerWaalsContact O-N 3.09Å; I399-L403 WeakPolarHBondContact O-CG 3.43Å; I399-L403 PolarHBondContact O-N 3.3Å
400I95.8Very high95.5Very high0 Ų045.6 Ų45.60%027%0.269CS..Hα-helixtrans-59.9-43-177.6-66.2159.4000111.1I338 I361 L363 F385 A396 M397 A402 L403I338-I400 HydrophobicContact CD1-CB 3.88Å; I338-I400 HydrophobicContact CD1-CD1 4.05Å; I338-I400 HydrophobicContact CD1-CG2 3.76Å; I338-I400 HydrophobicContact CG1-CB 4.38Å; I338-I400 HydrophobicContact CG1-CD1 4.46Å; I338-I400 HydrophobicContact CG1-CG2 3.71Å; I338-I400 HydrophobicContact CG2-CD1 4.43Å; I361-I400 HydrophobicContact CB-CG2 3.98Å; I361-I400 HydrophobicContact CD1-CG2 3.76Å; I361-I400 HydrophobicContact CG1-CG2 4.48Å; I361-I400 HydrophobicContact CG2-CD1 3.93Å; I361-I400 HydrophobicContact CG2-CG1 3.96Å; I361-I400 HydrophobicContact CG2-CG2 3.96Å; L363-I400 HydrophobicContact CB-CD1 4.21Å; L363-I400 HydrophobicContact CD2-CD1 4.44Å; F385-I400 HydrophobicContact CB-CD1 4.31Å; F385-I400 HydrophobicContact CD2-CD1 3.64Å; F385-I400 HydrophobicContact CD2-CG1 3.56Å; F385-I400 HydrophobicContact CE2-CD1 4.14Å; F385-I400 HydrophobicContact CE2-CG1 3.5Å; F385-I400 VanDerWaalsContact CE2-CG1 3.5Å; F385-I400 HydrophobicContact CG-CD1 4.02Å; F385-I400 HydrophobicContact CG-CG1 4.13Å; F385-I400 HydrophobicContact CZ-CG1 4Å; A396-I400 WeakPolarHBondContact O-CD1 3.49Å; A396-I400 WeakPolarHBondContact O-CG1 3.2Å; A396-I400 PolarHBondContact O-N 3.43Å; M397-I400 PolarHBondContact O-N 3.33Å; I400-A402 PolarHBondContact O-N 2.98Å; I400-L403 WeakPolarHBondContact O-CB 3.4Å; I400-L403 PolarHBondContact O-N 3.23Å
401L92.2Very high95.5Very high17 Ų1742.9 Ų42.99%0.08926%0.257CS..Hα-helixtrans-70.7-20.8180-63.4167.2000112.8Q247 L271 L285 T337 I338 M397 E398 I399Q247-L401 HydrophobicContact CB-CD2 4.32Å; Q247-L401 VanDerWaalsContact OE1-CD2 3.25Å; L271-L401 HydrophobicContact CD2-CD1 4Å; L285-L401 HydrophobicContact CD1-CD1 4.01Å; L285-L401 HydrophobicContact CD1-CD2 4.05Å; L285-L401 HydrophobicContact CD2-CD1 4.07Å; T337-L401 HydrophobicContact CG2-CD2 4.27Å; I338-L401 HydrophobicContact CD1-CD2 4.22Å; I338-L401 HydrophobicContact CD1-CG 4.18Å; M397-L401 WeakPolarHBondContact O-CB 3.41Å; M397-L401 WeakPolarHBondContact O-CD1 3.24Å; M397-L401 WeakPolarHBondContact O-CG 3.43Å; M397-L401 PolarHBondContact O-N 2.72Å; E398-L401 PolarHBondContact O-N 2.94Å; I399-L401 VanDerWaalsContact C-N 3.31Å; I399-L401 PolarHBondContact O-N 3.18Å
402A91.7Very high95.5Very high83 Ų8340.5 Ų40.569%0.68624%0.243SC*.Hα-helixtrans-88.4-11.2176.400000113.8E398 I399 I400E398-A402 WeakPolarHBondContact O-CB 3.23Å; E398-A402 PolarHBondContact O-N 3.48Å; E398-A402 VanDerWaalsContact O-N 3.08Å; I399-A402 PolarHBondContact O-N 3.29Å; I399-A402 VanDerWaalsContact O-N 3.09Å; I400-A402 PolarHBondContact O-N 2.98Å
403L92.6Very high95.5Very high44 Ų4441.1 Ų41.123%0.2324%0.241CC..SBendtrans-65.8142.7177-69.8174.9000111.7I361 F385 I399 I400 A407 R408 I411I361-L403 HydrophobicContact CD1-CD1 4.47Å; F385-L403 HydrophobicContact CZ-CD1 4.36Å; I399-L403 WeakPolarHBondContact O-CG 3.43Å; I399-L403 PolarHBondContact O-N 3.3Å; I400-L403 WeakPolarHBondContact O-CB 3.4Å; I400-L403 PolarHBondContact O-N 3.23Å; L403-A407 HydrophobicContact CB-CB 4.34Å; L403-A407 HydrophobicContact CD2-CB 4.22Å; L403-R408 HydrophobicContact CB-CG 3.53Å; L403-R408 HydrophobicContact CD1-CG 4.12Å; L403-R408 HydrophobicContact CG-CG 4.49Å; L403-R408 PolarHBondContact O-NE 2.88Å; L403-R408 VanDerWaalsContact O-NE 3.16Å; L403-I411 HydrophobicContact CD1-CD1 3.77Å
404T92.9Very high95.5Very high81 Ų8141.1 Ų41.150%0.49724%0.241SC..  trans-60.9154.2170.863.60000110.6S406 A407 R408T404-S406 VanDerWaalsContact C-N 3.27Å; T404-S406 PolarHBondContact O-N 3Å; T404-A407 PolarHBondContact O-N 2.89Å; T404-A407 VanDerWaalsContact OG1-CB 3.3Å; T404-A407 WeakPolarHBondContact OG1-CB 3.22Å; T404-A407 PolarHBondContact OG1-N 2.96Å; T404-R408 WeakPolarHBondContact O-CG 3.44Å; T404-R408 PolarHBondContact O-N 3.43Å
405P90.6Very high95.5Very high93 Ų9341.2 Ų41.260%0.60424%0.241SC*.Hα-helixtrans-50.9-45.4175.1-27.735.9000113.2R408 L409P405-R408 WeakPolarHBondContact O-CB 3.42Å; P405-R408 PolarHBondContact O-N 2.91Å; P405-L409 PolarHBondContact O-N 3.14Å
406S93.8Very high95.5Very high71 Ų7141 Ų4150%0.49723%0.233SC..Hα-helixtrans-64.9-42178.314.70000113T404 R408 L409 E410T404-S406 VanDerWaalsContact C-N 3.27Å; T404-S406 PolarHBondContact O-N 3Å; S406-R408 VanDerWaalsContact C-N 3.26Å; S406-R408 PolarHBondContact O-N 3.45Å; S406-L409 PolarHBondContact O-N 3.47Å; S406-E410 PolarHBondContact O-N 2.95Å
407A95.4Very high95.5Very high35 Ų3545.1 Ų45.129%0.28925%0.251SS..Hα-helixtrans-64.4-32.7174.400000112.4L403 T404 I411L403-A407 HydrophobicContact CB-CB 4.34Å; L403-A407 HydrophobicContact CD2-CB 4.22Å; T404-A407 PolarHBondContact O-N 2.89Å; T404-A407 VanDerWaalsContact OG1-CB 3.3Å; T404-A407 WeakPolarHBondContact OG1-CB 3.22Å; T404-A407 PolarHBondContact OG1-N 2.96Å; A407-I411 WeakPolarHBondContact O-CG1 3.4Å; A407-I411 PolarHBondContact O-N 3.41Å
408R95.4Very high95.5Very high47 Ų4745.1 Ų45.118%0.17725%0.251CS..Hα-helixtrans-70-41.4173.5-70.2-171.3-84.9153.33.5111.5I361 L403 T404 P405 S406 I411 K412I361-R408 HydrophobicContact CD1-CB 3.63Å; I361-R408 HydrophobicContact CD1-CG 3.47Å; I361-R408 VanDerWaalsContact CD1-CG 3.47Å; L403-R408 HydrophobicContact CB-CG 3.53Å; L403-R408 HydrophobicContact CD1-CG 4.12Å; L403-R408 HydrophobicContact CG-CG 4.49Å; L403-R408 PolarHBondContact O-NE 2.88Å; L403-R408 VanDerWaalsContact O-NE 3.16Å; T404-R408 WeakPolarHBondContact O-CG 3.44Å; T404-R408 PolarHBondContact O-N 3.43Å; P405-R408 WeakPolarHBondContact O-CB 3.42Å; P405-R408 PolarHBondContact O-N 2.91Å; S406-R408 VanDerWaalsContact C-N 3.26Å; S406-R408 PolarHBondContact O-N 3.45Å; R408-I411 PolarHBondContact O-N 3.3Å; R408-K412 VanDerWaalsContact O-CG 3.23Å; R408-K412 WeakPolarHBondContact O-CG 3.29Å; R408-K412 PolarHBondContact O-N 2.93Å
409L96Very high95.6Very high9 Ų941.7 Ų41.75%0.04724%0.236CC..Hα-helixtrans-60.2-45.3177.9-175.859.9000111.4L214 E217 P405 S406 I411 K412 R413L214-L409 HydrophobicContact CB-CD1 3.66Å; L214-L409 HydrophobicContact CD1-CD1 3.69Å; L214-L409 HydrophobicContact CG-CD1 4.3Å; E217-L409 HydrophobicContact CG-CD1 4.37Å; P405-L409 PolarHBondContact O-N 3.14Å; S406-L409 PolarHBondContact O-N 3.47Å; L409-I411 PolarHBondContact O-N 3.33Å; L409-K412 WeakPolarHBondContact O-CB 3.45Å; L409-K412 PolarHBondContact O-N 3.32Å; L409-K412 VanDerWaalsContact O-N 3.1Å; L409-R413 HydrophobicContact CD1-CG 4.36Å; L409-R413 HydrophobicContact CG-CG 4.47Å; L409-R413 PolarHBondContact O-N 3.32Å
410E97.2Very high95.6Very high88 Ų8839.4 Ų39.441%0.41123%0.234SC..Hα-helixtrans-57.5-44.5177-76.8-58.6114.400113.2S406 K412 R413 A414S406-E410 PolarHBondContact O-N 2.95Å; E410-K412 VanDerWaalsContact C-N 3.35Å; E410-R413 IonicContact OE1-NH1 3.41Å; E410-A414 WeakPolarHBondContact O-CB 3.39Å; E410-A414 PolarHBondContact O-N 2.88Å
411I98.3Very high95.6Very high15 Ų1542.5 Ų42.58%0.07725%0.246CC..Hα-helixtrans-65-41.5176.9-64.5172.7000110.6I361 F385 L403 A407 R408 L409 A415I361-I411 HydrophobicContact CG1-CG2 4.22Å; I361-I411 HydrophobicContact CG2-CG2 4.21Å; F385-I411 HydrophobicContact CE2-CD1 3.96Å; F385-I411 HydrophobicContact CZ-CD1 4.29Å; L403-I411 HydrophobicContact CD1-CD1 3.77Å; A407-I411 WeakPolarHBondContact O-CG1 3.4Å; A407-I411 PolarHBondContact O-N 3.41Å; R408-I411 PolarHBondContact O-N 3.3Å; L409-I411 PolarHBondContact O-N 3.33Å; I411-A415 VanDerWaalsContact O-CB 3.28Å; I411-A415 WeakPolarHBondContact O-CB 3.27Å; I411-A415 PolarHBondContact O-N 2.99Å
412K98.1Very high95.8Very high25 Ų2541.8 Ų41.811%0.10924%0.242CC..Hα-helixtrans-65.4-43.5179.2-69.8169.6176.5-145.70111.9L214 G359 I361 R408 L409 E410 A415 R416L214-K412 HydrophobicContact CD1-CB 3.77Å; L214-K412 HydrophobicContact CD2-CB 4.15Å; L214-K412 HydrophobicContact CD2-CD 4.35Å; G359-K412 WeakPolarHBondContact O-CD 3.27Å; G359-K412 WeakPolarHBondContact O-CE 3.17Å; G359-K412 WeakPolarHBondContact O-CG 3.36Å; G359-K412 PolarHBondContact O-NZ 2.84Å; I361-K412 HydrophobicContact CG1-CG 4.01Å; R408-K412 VanDerWaalsContact O-CG 3.23Å; R408-K412 WeakPolarHBondContact O-CG 3.29Å; R408-K412 PolarHBondContact O-N 2.93Å; L409-K412 WeakPolarHBondContact O-CB 3.45Å; L409-K412 PolarHBondContact O-N 3.32Å; L409-K412 VanDerWaalsContact O-N 3.1Å; E410-K412 VanDerWaalsContact C-N 3.35Å; K412-A415 PolarHBondContact O-N 3.37Å; K412-R416 WeakPolarHBondContact O-CB 3.35Å; K412-R416 PolarHBondContact O-N 2.95Å
413R97.6Very high95.9Very high48 Ų4839.3 Ų39.318%0.18122%0.22CC..Hα-helixtrans-60.3-52.8175.9-76.7-177.9175.8161.5-5.2111.1L214 E217 E220 L409 E410 A415 R416 E417L214-R413 HydrophobicContact CD1-CG 3.71Å; E217-R413 IonicContact OE1-NE 2.82Å; E220-R413 IonicContact OE1-NH1 3.9Å; E220-R413 IonicContact OE2-CZ 3.57Å; E220-R413 IonicContact OE2-NH1 3.83Å; E220-R413 PolarHBondContact OE2-NH1 2.82Å; E220-R413 IonicContact OE2-NH2 3.63Å; E220-R413 PolarHBondContact OE2-NH2 3.48Å; L409-R413 HydrophobicContact CD1-CG 4.36Å; L409-R413 HydrophobicContact CG-CG 4.47Å; L409-R413 PolarHBondContact O-N 3.32Å; E410-R413 IonicContact OE1-NH1 3.41Å; R413-A415 VanDerWaalsContact C-N 3.25Å; R413-A415 PolarHBondContact O-N 2.93Å; R413-R416 PolarHBondContact O-N 2.9Å; R413-R416 VanDerWaalsContact O-N 3.14Å; R413-E417 WeakPolarHBondContact O-CG 3.27Å; R413-E417 PolarHBondContact O-N 3.36Å
414A98.3Very high95.8Very high0 Ų038.5 Ų38.50%022%0.216CC..Hα-helixtrans-57.7-39.7177.200000112.1R381 T383 E410 S418R381-A414 HydrophobicContact CB-CB 3.68Å; T383-A414 HydrophobicContact CG2-CB 4.34Å; E410-A414 WeakPolarHBondContact O-CB 3.39Å; E410-A414 PolarHBondContact O-N 2.88Å; A414-S418 WeakPolarHBondContact O-CB 3.23Å; A414-S418 PolarHBondContact O-N 3.36Å; A414-S418 VanDerWaalsContact O-N 3.13Å
415A98.2Very high95.7Very high1 Ų140 Ų401%0.00822%0.217CC..Hα-helixtrans-64.1-49.4175.900000111.9M356 T383 I411 K412 R413 S418 V419M356-A415 HydrophobicContact CB-CB 4.06Å; M356-A415 HydrophobicContact CG-CB 4Å; M356-A415 HydrophobicContact SD-CB 4.27Å; T383-A415 WeakPolarHBondContact O-CB 3.28Å; I411-A415 VanDerWaalsContact O-CB 3.28Å; I411-A415 WeakPolarHBondContact O-CB 3.27Å; I411-A415 PolarHBondContact O-N 2.99Å; K412-A415 PolarHBondContact O-N 3.37Å; R413-A415 VanDerWaalsContact C-N 3.25Å; R413-A415 PolarHBondContact O-N 2.93Å; A415-S418 WeakPolarHBondContact O-CB 3.26Å; A415-S418 PolarHBondContact O-N 3.34Å; A415-S418 PolarHBondContact O-OG 2.8Å; A415-V419 WeakPolarHBondContact O-CG1 3.44Å; A415-V419 PolarHBondContact O-N 3.48Å
416R97.1Very high95.9Very high28 Ų2839.9 Ų39.911%0.10621%0.209CC..Hα-helixtrans-59-46.5178.2-82.2-169.1165.6-174.6-6.3112.5F209 L210 V212 L214 M356 A357 K412 R413 S418 V419F209-R416 PolarHBondContact O-NH2 3.06Å; L210-R416 HydrophobicContact CD2-CB 4.29Å; L210-R416 HydrophobicContact CD2-CG 4.1Å; V212-R416 VanDerWaalsContact O-CZ 3.24Å; V212-R416 PolarHBondContact O-NH1 3.44Å; V212-R416 PolarHBondContact O-NH2 3Å; L214-R416 VanDerWaalsContact CG-NH1 3.28Å; M356-R416 WeakPolarHBondContact O-CG 3.41Å; A357-R416 VanDerWaalsContact O-CZ 3.25Å; A357-R416 PolarHBondContact O-NE 2.97Å; A357-R416 PolarHBondContact O-NH2 3.13Å; K412-R416 WeakPolarHBondContact O-CB 3.35Å; K412-R416 PolarHBondContact O-N 2.95Å; R413-R416 PolarHBondContact O-N 2.9Å; R413-R416 VanDerWaalsContact O-N 3.14Å; R416-S418 VanDerWaalsContact C-N 3.26Å; R416-S418 PolarHBondContact O-N 3.19Å; R416-V419 WeakPolarHBondContact O-CG1 3.16Å; R416-V419 VanDerWaalsContact O-CG2 3.24Å; R416-V419 WeakPolarHBondContact O-CG2 3.45Å; R416-V419 PolarHBondContact O-N 3.38Å
417E96.8Very high95.9Very high95 Ų9536.7 Ų36.744%0.44419%0.186SC..Hα-helixtrans-61.4-38.6176.8-69.8162.2177.300111.2R381 R413 V419 G420R381-E417 IonicContact CZ-OE2 2.87Å; R381-E417 IonicContact NH1-OE1 3.96Å; R381-E417 IonicContact NH1-OE2 3.7Å; R381-E417 PolarHBondContact NH1-OE2 3.33Å; R381-E417 IonicContact NH2-OE2 2.73Å; R381-E417 PolarHBondContact NH2-OE2 2.94Å; R413-E417 WeakPolarHBondContact O-CG 3.27Å; R413-E417 PolarHBondContact O-N 3.36Å; E417-V419 PolarHBondContact O-N 2.91Å; E417-G420 PolarHBondContact O-N 3.32Å
418S97.3Very high95.8Very high0 Ų037.9 Ų37.90%019%0.185CC..Hα-helixtrans-66.3-20.1-18088.60000114.1A414 A415 R416 G420 R421A414-S418 WeakPolarHBondContact O-CB 3.23Å; A414-S418 PolarHBondContact O-N 3.36Å; A414-S418 VanDerWaalsContact O-N 3.13Å; A415-S418 WeakPolarHBondContact O-CB 3.26Å; A415-S418 PolarHBondContact O-N 3.34Å; A415-S418 PolarHBondContact O-OG 2.8Å; R416-S418 VanDerWaalsContact C-N 3.26Å; R416-S418 PolarHBondContact O-N 3.19Å; S418-G420 PolarHBondContact O-N 3.48Å; S418-R421 WeakPolarHBondContact O-CG 3.38Å; S418-R421 PolarHBondContact O-N 3.5Å; S418-R421 PolarHBondContact O-NE 2.99Å
419V97Very high95.7Very high6 Ų638.1 Ų38.14%0.03620%0.197CC..G310 helixtrans-70.2-20.1-176.8-40.90000112.4V206 L210 V353 M356 A357 A415 R416 E417 R421 F422V206-V419 HydrophobicContact CG2-CG2 3.81Å; L210-V419 HydrophobicContact CD1-CG2 4.1Å; L210-V419 HydrophobicContact CD2-CG2 4.29Å; V353-V419 HydrophobicContact CG1-CB 3.96Å; V353-V419 HydrophobicContact CG1-CG1 4.2Å; M356-V419 HydrophobicContact CB-CG1 3.79Å; A357-V419 HydrophobicContact CB-CG1 4.5Å; A415-V419 WeakPolarHBondContact O-CG1 3.44Å; A415-V419 PolarHBondContact O-N 3.48Å; R416-V419 WeakPolarHBondContact O-CG1 3.16Å; R416-V419 VanDerWaalsContact O-CG2 3.24Å; R416-V419 WeakPolarHBondContact O-CG2 3.45Å; R416-V419 PolarHBondContact O-N 3.38Å; E417-V419 PolarHBondContact O-N 2.91Å; V419-R421 PolarHBondContact O-N 3.42Å; V419-F422 PolarHBondContact O-N 3.39Å
420G95Very high95.7Very high42 Ų4239.5 Ų39.543%0.43321%0.207SC..G310 helixtrans-56.9-25178.100000113.5E417 S418 F422 S423E417-G420 PolarHBondContact O-N 3.32Å; S418-G420 PolarHBondContact O-N 3.48Å; G420-F422 PolarHBondContact O-N 3.16Å; G420-F422 VanDerWaalsContact O-N 3.15Å; G420-S423 VanDerWaalsContact O-CB 3.32Å; G420-S423 WeakPolarHBondContact O-CB 3.27Å; G420-S423 PolarHBondContact O-N 3.11Å; G420-S423 PolarHBondContact O-OG 2.92Å
421R95.9Very high95.6Very high65 Ų6536 Ų3625%0.24519%0.191CC..G310 helixtrans-61.6-15.4172.8-61.8-179.5-64.8140.2-3114.2D373 I374 S418 V419D373-R421 PolarHBondContact O-NH1 3.33Å; D373-R421 PolarHBondContact O-NH2 3.36Å; I374-R421 PolarHBondContact O-NH2 3.03Å; S418-R421 WeakPolarHBondContact O-CG 3.38Å; S418-R421 PolarHBondContact O-N 3.5Å; S418-R421 PolarHBondContact O-NE 2.99Å; V419-R421 PolarHBondContact O-N 3.42Å
422F96.1Very high95.4Very high2 Ų237.2 Ų37.21%0.00920%0.197CC..G310 helixtrans-117.817.8-177.5-44.4-55.6000111.8Y201 C204 F348 V353 I374 V419 G420Y201-F422 HydrophobicContact CD1-CD1 4.39Å; Y201-F422 HydrophobicContact CD1-CE1 4.1Å; Y201-F422 AromaticContact CD2-CD1 3.91Å; Y201-F422 HydrophobicContact CD2-CD1 3.91Å; Y201-F422 AromaticContact CD2-CE1 3.84Å; Y201-F422 HydrophobicContact CD2-CE1 3.84Å; Y201-F422 HydrophobicContact CE1-CE1 4.41Å; Y201-F422 HydrophobicContact CE2-CE1 4.18Å; Y201-F422 AromaticContact CG-CD1 3.77Å; Y201-F422 HydrophobicContact CG-CD1 3.77Å; Y201-F422 AromaticContact CG-CE1 3.81Å; Y201-F422 HydrophobicContact CG-CE1 3.81Å; C204-F422 HydrophobicContact CB-CB 4.18Å; C204-F422 PolarHBondContact N-O 3.19Å; F348-F422 AromaticContact CE2-CD1 3.9Å; F348-F422 HydrophobicContact CE2-CD1 3.9Å; F348-F422 AromaticContact CE2-CE1 3.7Å; F348-F422 HydrophobicContact CE2-CE1 3.7Å; F348-F422 HydrophobicContact CE2-CZ 4.25Å; F348-F422 HydrophobicContact CZ-CB 4.41Å; F348-F422 AromaticContact CZ-CD1 3.53Å; F348-F422 HydrophobicContact CZ-CD1 3.53Å; F348-F422 HydrophobicContact CZ-CD2 4.27Å; F348-F422 AromaticContact CZ-CE1 3.72Å; F348-F422 HydrophobicContact CZ-CE1 3.72Å; F348-F422 HydrophobicContact CZ-CE2 4.44Å; F348-F422 AromaticContact CZ-CG 3.81Å; F348-F422 HydrophobicContact CZ-CG 3.81Å; F348-F422 HydrophobicContact CZ-CZ 4.17Å; V353-F422 HydrophobicContact CB-CD2 4.45Å; V353-F422 HydrophobicContact CG1-CB 4.48Å; V353-F422 HydrophobicContact CG1-CD2 3.73Å; V353-F422 HydrophobicContact CG2-CD2 3.77Å; V353-F422 HydrophobicContact CG2-CE2 4.04Å; V353-F422 HydrophobicContact CG2-CG 4.45Å; I374-F422 HydrophobicContact CG1-CE2 4.39Å; I374-F422 HydrophobicContact CG1-CZ 4.17Å; V419-F422 PolarHBondContact O-N 3.39Å; G420-F422 PolarHBondContact O-N 3.16Å; G420-F422 VanDerWaalsContact O-N 3.15Å
423S93.4Very high95.3Very high31 Ų3139.1 Ų39.122%0.21722%0.218CC..SBendtrans-69.7160.6178.262.80000112.3G420 Q425 E426 F427G420-S423 VanDerWaalsContact O-CB 3.32Å; G420-S423 WeakPolarHBondContact O-CB 3.27Å; G420-S423 PolarHBondContact O-N 3.11Å; G420-S423 PolarHBondContact O-OG 2.92Å; S423-Q425 PolarHBondContact O-N 3.41Å; S423-E426 PolarHBondContact O-N 3.03Å; S423-E426 WeakPolarHBondContact OG-CB 3.14Å; S423-E426 PolarHBondContact OG-N 2.77Å; S423-F427 PolarHBondContact O-N 3.09Å
424D90.5Very high95.2Very high27 Ų2737.9 Ų37.914%0.14422%0.218CC..Hα-helixtrans-54.3-44.6170.9-63.7-33.1000111.4Q6 P203 E426 F427 E428Q6-D424 PolarHBondContact NE2-OD1 3.04Å; P203-D424 VanDerWaalsContact CB-OD1 3.24Å; P203-D424 WeakPolarHBondContact CB-OD1 3.36Å; D424-E426 PolarHBondContact O-N 3.21Å; D424-F427 WeakPolarHBondContact O-CB 3.41Å; D424-F427 PolarHBondContact O-N 3.33Å; D424-E428 WeakPolarHBondContact O-CB 3.48Å; D424-E428 VanDerWaalsContact O-CG 3.25Å; D424-E428 WeakPolarHBondContact O-CG 3.47Å; D424-E428 PolarHBondContact O-N 3.48Å
425Q91.3Very high95Very high113 Ų11338 Ų3853%0.52822%0.219SC..Hα-helixtrans-61.7-43.6-178.3-65.585.2-5.900111.9S423 A429S423-Q425 PolarHBondContact O-N 3.41Å; Q425-A429 WeakPolarHBondContact O-CB 3.32Å; Q425-A429 PolarHBondContact O-N 3.41Å
426E94.6Very high94.8Very high90 Ų9042.1 Ų42.142%0.42124%0.238SC..Hα-helixtrans-66.6-43.5177.3-170.460.7-157.400110.9S423 D424 E428 A429 C430S423-E426 PolarHBondContact O-N 3.03Å; S423-E426 WeakPolarHBondContact OG-CB 3.14Å; S423-E426 PolarHBondContact OG-N 2.77Å; D424-E426 PolarHBondContact O-N 3.21Å; E426-E428 PolarHBondContact O-N 2.95Å; E426-A429 PolarHBondContact O-N 2.76Å; E426-C430 WeakPolarHBondContact O-CB 3.46Å; E426-C430 PolarHBondContact O-N 3.41Å; E426-C430 PolarHBondContact O-SG 3.12Å; E426-C430 VanDerWaalsContact O-SG 3.39Å; E426-C430 PolarHBondContact OE1-SG 3.28Å; E426-C430 VanDerWaalsContact OE1-SG 3.38Å
427F94.6Very high94.5Very high4 Ų444.2 Ų44.22%0.01826%0.261CS..Hα-helixtrans-56.7-50.7174.9172.6-101.3000111.9Q6 P7 Y118 V200 Y201 P203 S423 D424 A429 C430 F431Q6-F427 HydrophobicContact CB-CD1 4.02Å; Q6-F427 HydrophobicContact CB-CE1 3.62Å; Q6-F427 HydrophobicContact CG-CD1 3.72Å; Q6-F427 HydrophobicContact CG-CE1 3.88Å; P7-F427 HydrophobicContact CB-CE1 4.47Å; P7-F427 HydrophobicContact CG-CE1 3.67Å; P7-F427 HydrophobicContact CG-CZ 3.66Å; Y118-F427 AromaticContact CE1-CE2 3.6Å; Y118-F427 HydrophobicContact CE1-CE2 3.6Å; Y118-F427 AromaticContact CE1-CZ 3.96Å; Y118-F427 HydrophobicContact CE1-CZ 3.96Å; Y118-F427 AromaticContact CZ-CE2 3.78Å; V200-F427 HydrophobicContact CG1-CD2 3.56Å; V200-F427 HydrophobicContact CG1-CE2 3.66Å; Y201-F427 WeakPolarHBondContact O-CD2 3.48Å; P203-F427 HydrophobicContact CB-CB 4.11Å; P203-F427 HydrophobicContact CB-CD1 4.42Å; P203-F427 HydrophobicContact CB-CG 4.2Å; P203-F427 HydrophobicContact CG-CD1 4.23Å; P203-F427 HydrophobicContact CG-CG 4.19Å; S423-F427 PolarHBondContact O-N 3.09Å; D424-F427 WeakPolarHBondContact O-CB 3.41Å; D424-F427 PolarHBondContact O-N 3.33Å; F427-A429 PolarHBondContact O-N 3.26Å; F427-C430 PolarHBondContact O-N 2.89Å; F427-F431 HydrophobicContact CE1-CD2 4.31Å; F427-F431 AromaticContact CE2-CD2 3.98Å; F427-F431 HydrophobicContact CE2-CD2 3.98Å; F427-F431 AromaticContact CZ-CD2 3.66Å; F427-F431 HydrophobicContact CZ-CD2 3.66Å; F427-F431 HydrophobicContact CZ-CE2 4.23Å; F427-F431 VanDerWaalsContact O-CB 3.27Å; F427-F431 WeakPolarHBondContact O-CB 3.45Å; F427-F431 PolarHBondContact O-N 2.93Å
428E93.1Very high94.3Very high59 Ų5940.1 Ų40.128%0.27624%0.242SC..Hα-helixtrans-60.3-45.7-180-69.3-174.9-18000111.6P10 D424 E426 F431 L432P10-E428 HydrophobicContact CB-CB 4.28Å; P10-E428 HydrophobicContact CB-CG 4.33Å; P10-E428 HydrophobicContact CG-CB 4.03Å; P10-E428 HydrophobicContact CG-CG 3.76Å; D424-E428 WeakPolarHBondContact O-CB 3.48Å; D424-E428 VanDerWaalsContact O-CG 3.25Å; D424-E428 WeakPolarHBondContact O-CG 3.47Å; D424-E428 PolarHBondContact O-N 3.48Å; E426-E428 PolarHBondContact O-N 2.95Å; E428-F431 PolarHBondContact O-N 2.72Å; E428-L432 WeakPolarHBondContact O-CB 3.47Å; E428-L432 WeakPolarHBondContact O-CG 3.36Å; E428-L432 PolarHBondContact O-N 2.79Å
429A94.4Very high94.1Very high53 Ų5340.7 Ų40.744%0.43825%0.245SC..Hα-helixtrans-62-48.7178.900000111.8Q425 E426 F427 A433Q425-A429 WeakPolarHBondContact O-CB 3.32Å; Q425-A429 PolarHBondContact O-N 3.41Å; E426-A429 PolarHBondContact O-N 2.76Å; F427-A429 PolarHBondContact O-N 3.26Å; A429-A433 WeakPolarHBondContact O-CB 3.49Å; A429-A433 PolarHBondContact O-N 3.21Å
430C95.8Very high93.7Very high38 Ų3842.6 Ų42.626%0.25726%0.259SS..Hα-helixtrans-65-41178.5-71.10000112.5V200 E426 F427 A433 A434V200-C430 HydrophobicContact CG1-CB 4.12Å; V200-C430 HydrophobicContact CG2-CB 4.19Å; E426-C430 WeakPolarHBondContact O-CB 3.46Å; E426-C430 PolarHBondContact O-N 3.41Å; E426-C430 PolarHBondContact O-SG 3.12Å; E426-C430 VanDerWaalsContact O-SG 3.39Å; E426-C430 PolarHBondContact OE1-SG 3.28Å; E426-C430 VanDerWaalsContact OE1-SG 3.38Å; F427-C430 PolarHBondContact O-N 2.89Å; C430-A433 PolarHBondContact O-N 2.9Å; C430-A434 WeakPolarHBondContact O-CB 3.27Å; C430-A434 PolarHBondContact O-N 3.4Å
431F95.1Very high93.5Very high14 Ų1446 Ų466%0.06126%0.263CS..Hα-helixtrans-66-44.3179.6-161-67000111.2P7 H11 Y118 M177 V200 F427 E428 A434 T435P7-F431 HydrophobicContact CB-CD1 4.02Å; P7-F431 HydrophobicContact CB-CD2 4.15Å; P7-F431 HydrophobicContact CB-CE1 3.82Å; P7-F431 HydrophobicContact CB-CE2 3.98Å; P7-F431 HydrophobicContact CB-CG 4.16Å; P7-F431 HydrophobicContact CB-CZ 3.8Å; P7-F431 HydrophobicContact CG-CD2 3.79Å; P7-F431 HydrophobicContact CG-CE1 4.27Å; P7-F431 HydrophobicContact CG-CE2 3.51Å; P7-F431 HydrophobicContact CG-CG 4.3Å; P7-F431 HydrophobicContact CG-CZ 3.76Å; H11-F431 AromaticContact CE1-CD1 3.39Å; H11-F431 WeakPolarHBondContact CE1-CD1 3.41Å; H11-F431 AromaticContact CE1-CE1 3.83Å; H11-F431 AromaticContact NE2-CD1 3.78Å; H11-F431 AromaticContact NE2-CE1 3.99Å; Y118-F431 HydrophobicContact CD1-CE2 4.07Å; Y118-F431 HydrophobicContact CG-CE2 4.35Å; M177-F431 HydrophobicContact CE-CD2 4.45Å; M177-F431 HydrophobicContact CE-CE1 3.99Å; M177-F431 HydrophobicContact CE-CE2 3.86Å; M177-F431 HydrophobicContact CE-CZ 3.62Å; M177-F431 HydrophobicContact SD-CD1 4.04Å; M177-F431 HydrophobicContact SD-CD2 3.76Å; M177-F431 HydrophobicContact SD-CE1 4.09Å; M177-F431 HydrophobicContact SD-CE2 3.78Å; M177-F431 HydrophobicContact SD-CG 3.91Å; M177-F431 HydrophobicContact SD-CZ 3.96Å; V200-F431 HydrophobicContact CG1-CB 4.24Å; V200-F431 HydrophobicContact CG1-CD2 4.28Å; F427-F431 HydrophobicContact CE1-CD2 4.31Å; F427-F431 AromaticContact CE2-CD2 3.98Å; F427-F431 HydrophobicContact CE2-CD2 3.98Å; F427-F431 AromaticContact CZ-CD2 3.66Å; F427-F431 HydrophobicContact CZ-CD2 3.66Å; F427-F431 HydrophobicContact CZ-CE2 4.23Å; F427-F431 VanDerWaalsContact O-CB 3.27Å; F427-F431 WeakPolarHBondContact O-CB 3.45Å; F427-F431 PolarHBondContact O-N 2.93Å; E428-F431 PolarHBondContact O-N 2.72Å; F431-A434 PolarHBondContact O-N 3.08Å; F431-T435 HydrophobicContact CD1-CG2 4.01Å; F431-T435 HydrophobicContact CE1-CG2 3.85Å; F431-T435 PolarHBondContact O-N 3.19Å; F431-T435 VanDerWaalsContact O-N 3.16Å; F431-T435 PolarHBondContact O-OG1 3.24Å
432L94Very high93.1Very high40 Ų4045.6 Ų45.621%0.20927%0.265CS..Hα-helixtrans-59.5-48.4173.9-78.1173.7000111.1P10 R14 Y15 E428 A434 T435 E436P10-L432 HydrophobicContact CB-CD1 3.99Å; P10-L432 HydrophobicContact CB-CG 4.4Å; R14-L432 HydrophobicContact CB-CD2 4.38Å; Y15-L432 HydrophobicContact CE2-CD2 4.45Å; E428-L432 WeakPolarHBondContact O-CB 3.47Å; E428-L432 WeakPolarHBondContact O-CG 3.36Å; E428-L432 PolarHBondContact O-N 2.79Å; L432-A434 VanDerWaalsContact C-N 3.31Å; L432-A434 PolarHBondContact O-N 3.03Å; L432-T435 PolarHBondContact O-N 3.45Å; L432-T435 PolarHBondContact O-OG1 3.49Å; L432-E436 WeakPolarHBondContact O-CB 3.41Å; L432-E436 PolarHBondContact O-N 3.13Å
433A95.3Very high92.6Very high66 Ų6648.4 Ų48.455%0.54528%0.283SS..Hα-helixtrans-59.8-41.3179.300000112.2A429 C430 T435A429-A433 WeakPolarHBondContact O-CB 3.49Å; A429-A433 PolarHBondContact O-N 3.21Å; C430-A433 PolarHBondContact O-N 2.9Å; A433-T435 VanDerWaalsContact C-N 3.29Å; A433-T435 PolarHBondContact O-N 3.37Å
434A95.5Very high91.2Very high21 Ų2159.6 Ų59.617%0.17432%0.32CS..Hα-helixtrans-64.9-32.7178.800000112.9V175 M177 V200 C430 F431 L432V175-A434 HydrophobicContact CG1-CB 4.39Å; V175-A434 WeakPolarHBondContact CG1-O 3.38Å; M177-A434 HydrophobicContact CG-CB 3.77Å; M177-A434 HydrophobicContact SD-CB 3.79Å; V200-A434 HydrophobicContact CG2-CB 4.42Å; C430-A434 WeakPolarHBondContact O-CB 3.27Å; C430-A434 PolarHBondContact O-N 3.4Å; F431-A434 PolarHBondContact O-N 3.08Å; L432-A434 VanDerWaalsContact C-N 3.31Å; L432-A434 PolarHBondContact O-N 3.03Å
435T94.3Very high91.3Very high4 Ų461.3 Ų61.33%0.02533%0.329CS..Hα-helixtrans-99.1-12.2-175.757.70000113.9H11 M177 F431 L432 A433 A437 L438 M439H11-T435 PolarHBondContact NE2-OG1 2.96Å; M177-T435 HydrophobicContact CE-CG2 3.97Å; M177-T435 HydrophobicContact SD-CG2 4.12Å; F431-T435 HydrophobicContact CD1-CG2 4.01Å; F431-T435 HydrophobicContact CE1-CG2 3.85Å; F431-T435 PolarHBondContact O-N 3.19Å; F431-T435 VanDerWaalsContact O-N 3.16Å; F431-T435 PolarHBondContact O-OG1 3.24Å; L432-T435 PolarHBondContact O-N 3.45Å; L432-T435 PolarHBondContact O-OG1 3.49Å; A433-T435 VanDerWaalsContact C-N 3.29Å; A433-T435 PolarHBondContact O-N 3.37Å; T435-A437 PolarHBondContact O-N 2.94Å; T435-L438 WeakPolarHBondContact O-CB 3.41Å; T435-L438 PolarHBondContact O-N 2.99Å; T435-M439 WeakPolarHBondContact O-CG 3.34Å; T435-M439 PolarHBondContact O-N 3.27Å
436E93.3Very high91.3Very high87 Ų8758.5 Ų58.541%0.40732%0.319SS..Hα-helixtrans-55.6-46.8-171.2-179.6167.4-138.200113.2R14 L432 L438 M439 S440R14-E436 IonicContact NH2-OE1 3.55Å; L432-E436 WeakPolarHBondContact O-CB 3.41Å; L432-E436 PolarHBondContact O-N 3.13Å; E436-L438 VanDerWaalsContact C-N 3.26Å; E436-L438 PolarHBondContact O-N 3.1Å; E436-M439 PolarHBondContact O-N 3.44Å; E436-S440 WeakPolarHBondContact O-CB 3.41Å; E436-S440 PolarHBondContact O-N 3.46Å; E436-S440 PolarHBondContact O-OG 3.49Å
437A91.9Very high91.1Very high72 Ų7256.8 Ų56.860%0.59531%0.313SS*.Hα-helixtrans-62.2-35.7-179.500000112.2T435 Q441T435-A437 PolarHBondContact O-N 2.94Å; A437-Q441 WeakPolarHBondContact O-CG 3.27Å
438L92.8Very high90.9Very high9 Ų959.9 Ų59.95%0.04733%0.33CS..Hα-helixtrans-75.2-48.9179.3-170.160.8000110.8L93 K114 A116 D174 V175 T435 E436 S440 Q441 L442L93-L438 HydrophobicContact CD1-CD2 3.48Å; L93-L438 VanDerWaalsContact CD1-CD2 3.48Å; L93-L438 HydrophobicContact CD1-CG 4.34Å; L93-L438 HydrophobicContact CD2-CD2 4.34Å; K114-L438 HydrophobicContact CB-CD1 3.89Å; K114-L438 HydrophobicContact CB-CD2 4.3Å; K114-L438 HydrophobicContact CB-CG 4.31Å; K114-L438 HydrophobicContact CD-CD1 3.86Å; K114-L438 HydrophobicContact CG-CD1 3.77Å; A116-L438 HydrophobicContact CB-CD2 4.49Å; D174-L438 HydrophobicContact CB-CD1 4.08Å; D174-L438 HydrophobicContact CB-CD2 4.24Å; V175-L438 HydrophobicContact CG2-CB 4.23Å; V175-L438 HydrophobicContact CG2-CD2 4.05Å; T435-L438 WeakPolarHBondContact O-CB 3.41Å; T435-L438 PolarHBondContact O-N 2.99Å; E436-L438 VanDerWaalsContact C-N 3.26Å; E436-L438 PolarHBondContact O-N 3.1Å; L438-S440 VanDerWaalsContact C-N 3.31Å; L438-S440 PolarHBondContact O-N 2.93Å; L438-Q441 WeakPolarHBondContact O-CB 3.26Å; L438-Q441 PolarHBondContact O-N 3.29Å; L438-Q441 VanDerWaalsContact O-N 3.13Å; L438-L442 PolarHBondContact O-N 2.87Å
439M92.4Very high90.7Very high11 Ų1159.9 Ų59.95%0.05433%0.334CS..Hα-helixtrans-61.2-39.5178.5-69.5-61.4-7000111.9Y15 V18 L93 T435 E436 Q441 L442 V443Y15-M439 HydrophobicContact CD1-CE 4.49Å; Y15-M439 HydrophobicContact CD2-CE 3.67Å; Y15-M439 HydrophobicContact CE1-CB 3.98Å; Y15-M439 HydrophobicContact CE2-CB 3.96Å; Y15-M439 HydrophobicContact CE2-CE 3.91Å; Y15-M439 HydrophobicContact CE2-CG 4.02Å; Y15-M439 HydrophobicContact CG-CE 3.99Å; Y15-M439 WeakPolarHBondContact OH-CB 3.42Å; V18-M439 HydrophobicContact CG1-CE 4.33Å; V18-M439 HydrophobicContact CG2-CE 4.07Å; L93-M439 HydrophobicContact CD2-SD 3.52Å; L93-M439 VanDerWaalsContact CD2-SD 3.52Å; T435-M439 WeakPolarHBondContact O-CG 3.34Å; T435-M439 PolarHBondContact O-N 3.27Å; E436-M439 PolarHBondContact O-N 3.44Å; M439-Q441 PolarHBondContact O-N 2.75Å; M439-L442 PolarHBondContact O-N 3.38Å; M439-V443 WeakPolarHBondContact O-CG2 3.39Å; M439-V443 PolarHBondContact O-N 3.31Å
440S89.4Confident90.5Very high47 Ų4760.4 Ų60.433%0.32933%0.327SS..Hα-helixtrans-65.3-18.4178.1-61.10000113.9E436 L438 R444E436-S440 WeakPolarHBondContact O-CB 3.41Å; E436-S440 PolarHBondContact O-N 3.46Å; E436-S440 PolarHBondContact O-OG 3.49Å; L438-S440 VanDerWaalsContact C-N 3.31Å; L438-S440 PolarHBondContact O-N 2.93Å; S440-R444 WeakPolarHBondContact O-CD 3.3Å; S440-R444 VanDerWaalsContact O-CG 3.27Å; S440-R444 WeakPolarHBondContact O-CG 3.44Å; S440-R444 PolarHBondContact O-NE 2.79Å
441Q89.1Confident90.1Very high113 Ų11362 Ų6253%0.52833%0.332SS..Hα-helixtrans-84.3-28.3172.9-68.5173.414.300112.1A437 L438 M439A437-Q441 WeakPolarHBondContact O-CG 3.27Å; L438-Q441 WeakPolarHBondContact O-CB 3.26Å; L438-Q441 PolarHBondContact O-N 3.29Å; L438-Q441 VanDerWaalsContact O-N 3.13Å; M439-Q441 PolarHBondContact O-N 2.75Å
442L89.4Confident89.7Confident56 Ų5665.7 Ų65.729%0.29335%0.353SS..Hα-helixtrans-88.7-27.7-175-65.2175.7000113.4D92 L93 K114 L438 M439D92-L442 HydrophobicContact CB-CD1 4.46Å; D92-L442 HydrophobicContact CB-CD2 4.19Å; L93-L442 HydrophobicContact CB-CD1 3.68Å; L93-L442 HydrophobicContact CD2-CD1 4.48Å; K114-L442 HydrophobicContact CB-CD1 4.39Å; K114-L442 HydrophobicContact CG-CD1 4.31Å; K114-L442 HydrophobicContact CG-CD2 3.92Å; K114-L442 HydrophobicContact CG-CG 4.44Å; L438-L442 PolarHBondContact O-N 2.87Å; M439-L442 PolarHBondContact O-N 3.38Å
443V85.3Confident89.4Confident62 Ų6267.8 Ų67.838%0.37637%0.365SS..  trans-93.8-0.2-177.5-175.70000112.4Y15 V18 M439Y15-V443 HydrophobicContact CD1-CG2 4.05Å; V18-V443 HydrophobicContact CG2-CG2 3.7Å; M439-V443 WeakPolarHBondContact O-CG2 3.39Å; M439-V443 PolarHBondContact O-N 3.31Å
444R63.9Low88.8Confident266 Ų26668 Ų68100%1.00435%0.348SS*.  trans-75.80169-78.1173-172-157.70.5110.3S440S440-R444 WeakPolarHBondContact O-CD 3.3Å; S440-R444 VanDerWaalsContact O-CG 3.27Å; S440-R444 WeakPolarHBondContact O-CG 3.44Å; S440-R444 PolarHBondContact O-NE 2.79Å

Retrieved 444 of 444 residues in 169.2 ms (Link to these results)

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