Q6RYS1_SCHMA Loading...

High mobility group B1 protein

AlphaFold DB , UniProt , Accession Q6RYS1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 176 aa.

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

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M43.4Very low75.2Confident240 Ų240111.8 Ų111.8100%1.18262%0.615SS**  01150-61.4-168.2-176.600105.9E3M1-E3 PolarHBondContact O-N 3.18Å
2A60.5Low76.3Confident104 Ų104105.3 Ų105.386%0.8658%0.577SS**  trans-67.2124.3174.700000107.6D4A2-D4 PolarHBondContact O-N 3.39Å
3E62.2Low77.5Confident184 Ų184104.6 Ų104.686%0.8657%0.573SS**  trans-60.7119.3167-75.8179127.600107.2M1 K5M1-E3 PolarHBondContact O-N 3.18Å; E3-K5 PolarHBondContact O-N 2.88Å
4D74.1Confident78.5Confident55 Ų5598.7 Ų98.729%0.29455%0.545SS..  trans-65.5104.4173.3176.810.1000108.7A2 G6 K7 Y77 P80A2-D4 PolarHBondContact O-N 3.39Å; D4-G6 PolarHBondContact O-N 3.44Å; D4-G6 PolarHBondContact OD1-N 3.33Å; D4-K7 HydrophobicContact CB-CB 4.18Å; D4-K7 WeakPolarHBondContact O-CB 3.44Å; D4-K7 PolarHBondContact O-N 3.38Å; D4-Y77 VanDerWaalsContact OD2-CE2 3.23Å; D4-Y77 WeakPolarHBondContact OD2-CE2 3.27Å; D4-Y77 VanDerWaalsContact OD2-CZ 3.23Å; D4-Y77 PolarHBondContact OD2-OH 3.23Å; D4-P80 WeakPolarHBondContact OD2-CD 3.38Å
5K75.8Confident79.3Confident214 Ų21496.7 Ų96.793%0.9353%0.526SS*.THydrogen-bonded Turntrans-62.5-21.3-179.1-62.6-178.3-177.7-179.70112.4E3E3-K5 PolarHBondContact O-N 2.88Å
6G79.8Confident80Confident52 Ų5292.3 Ų92.354%0.53651%0.507SS..THydrogen-bonded Turntrans-81.6-14.5176.700000113.6D4 P8 Y77D4-G6 PolarHBondContact O-N 3.44Å; D4-G6 PolarHBondContact OD1-N 3.33Å; G6-P8 VanDerWaalsContact O-CD 3.29Å; G6-P8 WeakPolarHBondContact O-CD 3.5Å; G6-Y77 VanDerWaalsContact O-CD2 3.24Å; G6-Y77 WeakPolarHBondContact O-CD2 3.24Å
7K83.4Confident80.7Confident123 Ų12387.4 Ų87.454%0.53548%0.482SS..SBendtrans-70.1121.4-176.2-172.1173179.2177.10111.5D4 K9 Y77D4-K7 HydrophobicContact CB-CB 4.18Å; D4-K7 WeakPolarHBondContact O-CB 3.44Å; D4-K7 PolarHBondContact O-N 3.38Å; K7-K9 PolarHBondContact O-N 2.93Å; K7-Y77 HydrophobicContact CB-CE1 4.42Å; K7-Y77 HydrophobicContact CB-CE2 3.92Å; K7-Y77 HydrophobicContact CG-CE1 4.01Å; K7-Y77 HydrophobicContact CG-CE2 4.38Å
8P85.4Confident81.3Confident16 Ų1682.7 Ų82.710%0.10446%0.456CS..PPolyproline II helixtrans-52.7136.9172.6-29.837.4000111.7G6 G10 Y70 E73 M74 Y77G6-P8 VanDerWaalsContact O-CD 3.29Å; G6-P8 WeakPolarHBondContact O-CD 3.5Å; P8-G10 PolarHBondContact O-N 3.09Å; P8-Y70 HydrophobicContact CB-CD2 4.02Å; P8-Y70 HydrophobicContact CB-CE2 3.93Å; P8-E73 HydrophobicContact CB-CB 3.7Å; P8-E73 WeakPolarHBondContact CB-OE2 3.29Å; P8-E73 HydrophobicContact CG-CB 3.69Å; P8-M74 HydrophobicContact CB-CG 4.36Å; P8-M74 HydrophobicContact CB-SD 4.14Å; P8-M74 HydrophobicContact CG-CG 4.43Å; P8-M74 HydrophobicContact CG-SD 4.02Å; P8-Y77 VanDerWaalsContact CD-CD2 3.47Å; P8-Y77 HydrophobicContact CG-CD2 4.46Å; P8-Y77 HydrophobicContact CG-CG 4.01Å
9K85.3Confident81.7Confident159 Ų15979.8 Ų79.869%0.69144%0.439SS*.PPolyproline II helixtrans-70.1130.8176.3-172170.7-175.9169.90108.9K7 Y70K7-K9 PolarHBondContact O-N 2.93Å; K9-Y70 WeakPolarHBondContact O-CD2 3.05Å
10G88Confident82.1Confident41 Ų4181.4 Ų81.442%0.42344%0.443SS..PPolyproline II helixtrans-50145-177.900000113.6P8 M12P8-G10 PolarHBondContact O-N 3.09Å; G10-M12 PolarHBondContact O-N 3.43Å
11A89.8Confident82.4Confident42 Ų4279.1 Ų79.135%0.34743%0.434SS..PPolyproline II helixtrans-49.2127.8175.200000111.6D66 K67 Y70A11-D66 WeakPolarHBondContact CA-OD2 3.44Å; A11-K67 HydrophobicContact CB-CB 4.22Å; A11-K67 HydrophobicContact CB-CG 4.44Å; A11-Y70 HydrophobicContact CB-CD1 3.91Å; A11-Y70 HydrophobicContact CB-CG 4Å
12M87.9Confident84.4Confident33 Ų3369.5 Ų69.516%0.16339%0.386CS..PPolyproline II helixtrans-69.7127.3172.4-59.7-161.6-166.600109G10 A16 Q20 A63 D66G10-M12 PolarHBondContact O-N 3.43Å; M12-A16 HydrophobicContact CB-CB 3.9Å; M12-A16 HydrophobicContact CG-CB 4.36Å; M12-Q20 PolarHBondContact SD-OE1 3.29Å; M12-Q20 VanDerWaalsContact SD-OE1 3.38Å; M12-A63 WeakPolarHBondContact O-CA 3.45Å; M12-A63 VanDerWaalsContact O-CB 3.28Å; M12-A63 WeakPolarHBondContact O-CB 3.41Å; M12-D66 HydrophobicContact CB-CB 4.35Å; M12-D66 WeakPolarHBondContact CB-OD2 3.33Å; M12-D66 WeakPolarHBondContact CG-OD2 3.32Å; M12-D66 PolarHBondContact N-OD2 3.41Å
13N92.4Very high85.6Confident97 Ų9770.4 Ų70.452%0.51937%0.367SS..PPolyproline II helixtrans-77.4171.6165.863.740.2000110.6Y15 A16 A17 A63N13-Y15 PolarHBondContact O-N 3.46Å; N13-Y15 WeakPolarHBondContact OD1-CB 3.45Å; N13-Y15 PolarHBondContact OD1-N 2.81Å; N13-Y15 VanDerWaalsContact OD1-N 3.17Å; N13-A16 WeakPolarHBondContact O-CB 2.88Å; N13-A16 PolarHBondContact O-N 3.15Å; N13-A16 WeakPolarHBondContact OD1-CB 3.42Å; N13-A16 PolarHBondContact OD1-N 2.96Å; N13-A17 PolarHBondContact O-N 3.14Å; N13-A63 VanDerWaalsContact C-CB 3.45Å
14A91.6Very high86.7Confident22 Ų2264.4 Ų64.418%0.18235%0.349CS..Hα-helixtrans-57.1-36.8-177.500000112.7A17 F18 W48 F59 K60 A63A14-A17 PolarHBondContact O-N 3.26Å; A14-F18 PolarHBondContact O-N 3.3Å; A14-W48 HydrophobicContact CB-CH2 3.73Å; A14-W48 HydrophobicContact CB-CZ2 4.15Å; A14-F59 HydrophobicContact CB-CB 4.24Å; A14-F59 WeakPolarHBondContact O-CB 3.42Å; A14-K60 HydrophobicContact CB-CB 4.39Å; A14-A63 HydrophobicContact CB-CB 4.26Å; A14-A63 VanDerWaalsContact N-CB 3.31Å
15Y89.4Confident87.3Confident68 Ų6865.4 Ų65.427%0.26736%0.355SS..Hα-helixtrans-67.9-39.7175.8-178-118.8000112.2N13 F18 L19 W48N13-Y15 PolarHBondContact O-N 3.46Å; N13-Y15 WeakPolarHBondContact OD1-CB 3.45Å; N13-Y15 PolarHBondContact OD1-N 2.81Å; N13-Y15 VanDerWaalsContact OD1-N 3.17Å; Y15-F18 HydrophobicContact CD2-CD1 4.23Å; Y15-F18 HydrophobicContact CE2-CD1 4.23Å; Y15-F18 WeakPolarHBondContact O-CB 3.36Å; Y15-F18 PolarHBondContact O-N 3.1Å; Y15-L19 HydrophobicContact CD1-CD1 3.95Å; Y15-L19 HydrophobicContact CD1-CG 4.31Å; Y15-L19 HydrophobicContact CE1-CD1 3.59Å; Y15-L19 HydrophobicContact CE1-CD2 4.34Å; Y15-L19 HydrophobicContact CE1-CG 4.03Å; Y15-L19 HydrophobicContact CE2-CD2 4.24Å; Y15-L19 HydrophobicContact CE2-CG 4.3Å; Y15-L19 WeakPolarHBondContact O-CG 3.47Å; Y15-L19 PolarHBondContact O-N 3.3Å; Y15-W48 HydrophobicContact CD2-CB 3.9Å; Y15-W48 AromaticContact CD2-CD1 3.89Å; Y15-W48 AromaticContact CD2-CD2 3.66Å; Y15-W48 HydrophobicContact CD2-CD2 3.66Å; Y15-W48 HydrophobicContact CD2-CE3 4.13Å; Y15-W48 AromaticContact CD2-CG 3.53Å; Y15-W48 HydrophobicContact CD2-CG 3.53Å; Y15-W48 HydrophobicContact CE2-CB 3.73Å; Y15-W48 HydrophobicContact CE2-CD2 4.42Å; Y15-W48 AromaticContact CE2-CG 3.87Å; Y15-W48 HydrophobicContact CE2-CG 3.87Å
16A91.5Very high87.6Confident27 Ų2757.3 Ų57.322%0.22332%0.32CS..Hα-helixtrans-65.5-39.517600000111.9M12 N13 F18 L19 Q20M12-A16 HydrophobicContact CB-CB 3.9Å; M12-A16 HydrophobicContact CG-CB 4.36Å; N13-A16 WeakPolarHBondContact O-CB 2.88Å; N13-A16 PolarHBondContact O-N 3.15Å; N13-A16 WeakPolarHBondContact OD1-CB 3.42Å; N13-A16 PolarHBondContact OD1-N 2.96Å; A16-F18 VanDerWaalsContact C-N 3.3Å; A16-F18 PolarHBondContact O-N 2.9Å; A16-L19 PolarHBondContact O-N 3.16Å; A16-Q20 PolarHBondContact O-N 2.91Å
17A91.3Very high87.6Confident9 Ų962 Ų627%0.07433%0.326CS..Hα-helixtrans-60.2-41.517200000111.4N13 A14 Q20 S21 F59 L62N13-A17 PolarHBondContact O-N 3.14Å; A14-A17 PolarHBondContact O-N 3.26Å; A17-Q20 WeakPolarHBondContact O-CB 3.44Å; A17-Q20 PolarHBondContact O-N 3.43Å; A17-S21 PolarHBondContact O-N 3.48Å; A17-S21 VanDerWaalsContact O-N 3.11Å; A17-F59 HydrophobicContact CB-CD1 4.23Å; A17-L62 HydrophobicContact CB-CB 4.22Å
18F91.6Very high87.6Confident3 Ų364.8 Ų64.81%0.01334%0.338CS..Hα-helixtrans-65.2-44.6173.4169.8-103.1000113.2A14 Y15 A16 Q20 S21 M22 C44 Q47 W48 L51 F59A14-F18 PolarHBondContact O-N 3.3Å; Y15-F18 HydrophobicContact CD2-CD1 4.23Å; Y15-F18 HydrophobicContact CE2-CD1 4.23Å; Y15-F18 WeakPolarHBondContact O-CB 3.36Å; Y15-F18 PolarHBondContact O-N 3.1Å; A16-F18 VanDerWaalsContact C-N 3.3Å; A16-F18 PolarHBondContact O-N 2.9Å; F18-Q20 PolarHBondContact O-N 2.92Å; F18-S21 PolarHBondContact O-N 2.69Å; F18-S21 PolarHBondContact O-OG 2.88Å; F18-M22 HydrophobicContact CD1-CG 4.24Å; F18-M22 HydrophobicContact CD2-CG 4.06Å; F18-M22 HydrophobicContact CE1-CG 3.68Å; F18-M22 HydrophobicContact CE2-CE 4.04Å; F18-M22 HydrophobicContact CE2-CG 3.49Å; F18-M22 VanDerWaalsContact CE2-CG 3.49Å; F18-M22 HydrophobicContact CE2-SD 3.94Å; F18-M22 HydrophobicContact CG-CG 4.41Å; F18-M22 HydrophobicContact CZ-CG 3.27Å; F18-M22 HydrophobicContact CZ-SD 3.86Å; F18-M22 WeakPolarHBondContact O-CB 3.41Å; F18-M22 WeakPolarHBondContact O-CG 3.48Å; F18-M22 PolarHBondContact O-N 3.17Å; F18-C44 HydrophobicContact CE1-CB 4.26Å; F18-C44 WeakPolarHBondContact CE1-O 3.38Å; F18-Q47 HydrophobicContact CE1-CB 4.28Å; F18-Q47 HydrophobicContact CZ-CB 3.64Å; F18-W48 HydrophobicContact CB-CE3 3.51Å; F18-W48 HydrophobicContact CB-CZ3 3.46Å; F18-W48 VanDerWaalsContact CB-CZ3 3.46Å; F18-W48 HydrophobicContact CD1-CB 4.13Å; F18-W48 HydrophobicContact CD1-CD2 4.42Å; F18-W48 AromaticContact CD1-CE3 3.68Å; F18-W48 HydrophobicContact CD1-CE3 3.68Å; F18-W48 HydrophobicContact CD2-CE3 4.11Å; F18-W48 HydrophobicContact CD2-CZ3 4.48Å; F18-W48 HydrophobicContact CE1-CB 4Å; F18-W48 HydrophobicContact CE1-CE3 4.46Å; F18-W48 AromaticContact CG-CE3 3.48Å; F18-W48 HydrophobicContact CG-CE3 3.48Å; F18-W48 VanDerWaalsContact CG-CE3 3.48Å; F18-W48 AromaticContact CG-CZ3 3.92Å; F18-W48 HydrophobicContact CG-CZ3 3.92Å; F18-L51 HydrophobicContact CD2-CD1 3.66Å; F18-L51 HydrophobicContact CE2-CD1 3.73Å; F18-L51 HydrophobicContact CE2-CD2 4.41Å; F18-L51 HydrophobicContact CE2-CG 4.33Å; F18-L51 HydrophobicContact CG-CD1 4.3Å; F18-L51 HydrophobicContact CZ-CD1 4.44Å; F18-F59 HydrophobicContact CB-CD1 3.91Å; F18-F59 HydrophobicContact CB-CD2 4.23Å; F18-F59 HydrophobicContact CB-CE1 4.03Å; F18-F59 HydrophobicContact CB-CE2 4.35Å; F18-F59 HydrophobicContact CB-CG 4.03Å; F18-F59 HydrophobicContact CB-CZ 4.26Å; F18-F59 HydrophobicContact CD2-CD2 4.32Å; F18-F59 HydrophobicContact CD2-CE1 4.18Å; F18-F59 AromaticContact CD2-CE2 3.7Å; F18-F59 HydrophobicContact CD2-CE2 3.7Å; F18-F59 AromaticContact CD2-CZ 3.63Å; F18-F59 HydrophobicContact CD2-CZ 3.63Å; F18-F59 HydrophobicContact CG-CE2 4.49Å; F18-F59 HydrophobicContact CG-CZ 4.45Å
19L89.6Confident87.4Confident28 Ų2871.5 Ų71.515%0.14737%0.365CS..Hα-helixtrans-60.2-30.7174.6-71180000112.1Y15 A16 R23 C44Y15-L19 HydrophobicContact CD1-CD1 3.95Å; Y15-L19 HydrophobicContact CD1-CG 4.31Å; Y15-L19 HydrophobicContact CE1-CD1 3.59Å; Y15-L19 HydrophobicContact CE1-CD2 4.34Å; Y15-L19 HydrophobicContact CE1-CG 4.03Å; Y15-L19 HydrophobicContact CE2-CD2 4.24Å; Y15-L19 HydrophobicContact CE2-CG 4.3Å; Y15-L19 WeakPolarHBondContact O-CG 3.47Å; Y15-L19 PolarHBondContact O-N 3.3Å; A16-L19 PolarHBondContact O-N 3.16Å; L19-R23 WeakPolarHBondContact O-CB 3.36Å; L19-R23 VanDerWaalsContact O-CG 3.3Å; L19-R23 WeakPolarHBondContact O-CG 3.44Å; L19-R23 PolarHBondContact O-N 2.71Å; L19-R23 PolarHBondContact O-NE 2.96Å; L19-C44 HydrophobicContact CD2-CB 3.27Å; L19-C44 WeakPolarHBondContact CD2-SG 3.26Å
20Q88.5Confident87Confident110 Ų11068.5 Ų68.551%0.51435%0.354SS..Hα-helixtrans-71-44.3176-168175.724.600111.3M12 A16 A17 F18 R23 A24M12-Q20 PolarHBondContact SD-OE1 3.29Å; M12-Q20 VanDerWaalsContact SD-OE1 3.38Å; A16-Q20 PolarHBondContact O-N 2.91Å; A17-Q20 WeakPolarHBondContact O-CB 3.44Å; A17-Q20 PolarHBondContact O-N 3.43Å; F18-Q20 PolarHBondContact O-N 2.92Å; Q20-R23 PolarHBondContact O-N 3.2Å; Q20-A24 WeakPolarHBondContact O-CB 3.44Å; Q20-A24 PolarHBondContact O-N 3.07Å
21S88.1Confident86.6Confident35 Ų3570.9 Ų70.925%0.24536%0.362CS..Hα-helixtrans-63.7-41.9173.9570000111.9A17 F18 R23 A24 D25 F59A17-S21 PolarHBondContact O-N 3.48Å; A17-S21 VanDerWaalsContact O-N 3.11Å; F18-S21 PolarHBondContact O-N 2.69Å; F18-S21 PolarHBondContact O-OG 2.88Å; S21-R23 PolarHBondContact O-N 3.44Å; S21-A24 PolarHBondContact O-N 3.46Å; S21-D25 WeakPolarHBondContact O-CB 3.38Å; S21-D25 PolarHBondContact O-N 3.19Å; S21-F59 WeakPolarHBondContact OG-CE1 3.48Å
22M87Confident86.1Confident38 Ų3876.4 Ų76.419%0.18739%0.386CS..Hα-helixtrans-65.1-40.3178.1-73.4-60.8100.900112.6F18 D25 H26 F40 Q47F18-M22 HydrophobicContact CD1-CG 4.24Å; F18-M22 HydrophobicContact CD2-CG 4.06Å; F18-M22 HydrophobicContact CE1-CG 3.68Å; F18-M22 HydrophobicContact CE2-CE 4.04Å; F18-M22 HydrophobicContact CE2-CG 3.49Å; F18-M22 VanDerWaalsContact CE2-CG 3.49Å; F18-M22 HydrophobicContact CE2-SD 3.94Å; F18-M22 HydrophobicContact CG-CG 4.41Å; F18-M22 HydrophobicContact CZ-CG 3.27Å; F18-M22 HydrophobicContact CZ-SD 3.86Å; F18-M22 WeakPolarHBondContact O-CB 3.41Å; F18-M22 WeakPolarHBondContact O-CG 3.48Å; F18-M22 PolarHBondContact O-N 3.17Å; M22-D25 PolarHBondContact O-N 3.34Å; M22-H26 VanDerWaalsContact O-CB 3.3Å; M22-H26 WeakPolarHBondContact O-CB 3.48Å; M22-H26 PolarHBondContact O-N 3.23Å; M22-F40 HydrophobicContact CB-CE2 4.38Å; M22-F40 HydrophobicContact CB-CZ 3.94Å; M22-Q47 PolarHBondContact SD-OE1 3.25Å
23R84.2Confident85.5Confident122 Ų12279 Ų7946%0.4640%0.403SS..Hα-helixtrans-65.4-39.7174.1-80.2-173.4-100.9-157.1-5.9112.2L19 Q20 S21 K27 F40L19-R23 WeakPolarHBondContact O-CB 3.36Å; L19-R23 VanDerWaalsContact O-CG 3.3Å; L19-R23 WeakPolarHBondContact O-CG 3.44Å; L19-R23 PolarHBondContact O-N 2.71Å; L19-R23 PolarHBondContact O-NE 2.96Å; Q20-R23 PolarHBondContact O-N 3.2Å; S21-R23 PolarHBondContact O-N 3.44Å; R23-K27 VanDerWaalsContact O-CB 3.3Å; R23-K27 WeakPolarHBondContact O-CB 3.41Å; R23-K27 PolarHBondContact O-N 3.04Å; R23-F40 HydrophobicContact CB-CZ 4.26Å; R23-F40 HydrophobicContact CG-CD1 4.42Å; R23-F40 HydrophobicContact CG-CE1 3.35Å; R23-F40 HydrophobicContact CG-CE2 4.42Å; R23-F40 HydrophobicContact CG-CZ 3.36Å
24A86.3Confident84.7Confident58 Ų5880.9 Ų80.948%0.47942%0.418SS..Hα-helixtrans-64.9-46.1176.800000111.6Q20 S21 K27 K28Q20-A24 WeakPolarHBondContact O-CB 3.44Å; Q20-A24 PolarHBondContact O-N 3.07Å; S21-A24 PolarHBondContact O-N 3.46Å; A24-K27 PolarHBondContact O-N 3.5Å; A24-K28 WeakPolarHBondContact O-CB 3.49Å; A24-K28 PolarHBondContact O-N 3.06Å
25D85.8Confident83.5Confident77 Ų7783.1 Ų83.141%0.41243%0.427SS..Hα-helixtrans-63.5-43.1177.5-76-13.7000111.9S21 M22 K28 K29S21-D25 WeakPolarHBondContact O-CB 3.38Å; S21-D25 PolarHBondContact O-N 3.19Å; M22-D25 PolarHBondContact O-N 3.34Å; D25-K28 PolarHBondContact O-N 3.27Å; D25-K29 WeakPolarHBondContact O-CG 3.31Å; D25-K29 PolarHBondContact O-N 3.07Å
26H81.7Confident83Confident44 Ų4484.2 Ų84.220%0.20444%0.437CS..Hα-helixtrans-64.9-44.3176.5-171.3-68.9000111.6M22 K28 K29 H30 L35 F40M22-H26 VanDerWaalsContact O-CB 3.3Å; M22-H26 WeakPolarHBondContact O-CB 3.48Å; M22-H26 PolarHBondContact O-N 3.23Å; H26-K28 VanDerWaalsContact C-N 3.27Å; H26-K28 PolarHBondContact O-N 3.37Å; H26-K29 PolarHBondContact O-N 3.48Å; H26-H30 PolarHBondContact O-N 2.86Å; H26-L35 WeakPolarHBondContact CE1-CD2 3.49Å; H26-L35 VanDerWaalsContact ND1-CD2 3.25Å; H26-L35 WeakPolarHBondContact ND1-CD2 3.45Å; H26-L35 WeakPolarHBondContact NE2-CD2 3.48Å; H26-F40 HydrophobicContact CB-CE2 4.19Å
27K80.5Confident82.3Confident151 Ų15190 Ų9066%0.65746%0.458SS*.Hα-helixtrans-62.5-35176.9-173176.8-179.2-179.40112R23 A24 H30 P31R23-K27 VanDerWaalsContact O-CB 3.3Å; R23-K27 WeakPolarHBondContact O-CB 3.41Å; R23-K27 PolarHBondContact O-N 3.04Å; A24-K27 PolarHBondContact O-N 3.5Å; K27-H30 CarbonylContact O-C 3.59Å; K27-P31 VanDerWaalsContact O-CA 3.31Å; K27-P31 WeakPolarHBondContact O-CA 3.39Å
28K83.9Confident81.9Confident181 Ų18197.8 Ų97.879%0.78749%0.49SS*.Hα-helixtrans-66.6-41.5175.4-174.5178.4180179.20112.2A24 D25 H26A24-K28 WeakPolarHBondContact O-CB 3.49Å; A24-K28 PolarHBondContact O-N 3.06Å; D25-K28 PolarHBondContact O-N 3.27Å; H26-K28 VanDerWaalsContact C-N 3.27Å; H26-K28 PolarHBondContact O-N 3.37Å
29K80.3Confident81.5Confident156 Ų156100.9 Ų100.968%0.67851%0.511SS*.Hα-helixtrans-79-33-179.1-69176.5-178.4177.40112.9D25 H26D25-K29 WeakPolarHBondContact O-CG 3.31Å; D25-K29 PolarHBondContact O-N 3.07Å; H26-K29 PolarHBondContact O-N 3.48Å
30H77.7Confident81.2Confident96 Ų96100.3 Ų100.344%0.44451%0.508SS..  trans-134.770.9-175.3-58.4-73.3000110.9H26 K27 N32 V33H26-H30 PolarHBondContact O-N 2.86Å; K27-H30 CarbonylContact O-C 3.59Å; H30-N32 VanDerWaalsContact C-N 3.27Å; H30-N32 PolarHBondContact O-N 3.26Å; H30-V33 HydrophobicContact CB-CB 4Å; H30-V33 HydrophobicContact CB-CG2 3.9Å
31P79Confident80.9Confident91 Ų9197.5 Ų97.559%0.59150%0.5SS*.THydrogen-bonded Turntrans-65.4-28.1-176.924.7-34000113.7K27K27-P31 VanDerWaalsContact O-CA 3.31Å; K27-P31 WeakPolarHBondContact O-CA 3.39Å
32N79.9Confident80.9Confident159 Ų159102.5 Ų102.585%0.8552%0.518SS*.THydrogen-bonded Turntrans-103.84.8-174.7-67.3-19.6000114.3H30H30-N32 VanDerWaalsContact C-N 3.27Å; H30-N32 PolarHBondContact O-N 3.26Å
33V74.9Confident80.9Confident88 Ų88105.1 Ų105.153%0.53353%0.53SS..SBendtrans-95.9124.6179.3-179.60000109.3H30 L35H30-V33 HydrophobicContact CB-CB 4Å; H30-V33 HydrophobicContact CB-CG2 3.9Å; V33-L35 PolarHBondContact O-N 3.2Å
34T75.1Confident81.1Confident135 Ų13599.3 Ų99.383%0.82851%0.508SS*.  trans-63.9106.3169.3-54.80000108.8D36T34-D36 PolarHBondContact O-N 2.92Å; T34-D36 VanDerWaalsContact O-N 3.12Å
35L66.6Low81.1Confident70 Ų7098.7 Ų98.737%0.36650%0.5SS..  trans-57.6111174.6-88.4168.6000110.5H26 V33 F37 F40H26-L35 WeakPolarHBondContact CE1-CD2 3.49Å; H26-L35 VanDerWaalsContact ND1-CD2 3.25Å; H26-L35 WeakPolarHBondContact ND1-CD2 3.45Å; H26-L35 WeakPolarHBondContact NE2-CD2 3.48Å; V33-L35 PolarHBondContact O-N 3.2Å; L35-F37 PolarHBondContact O-N 3.49Å; L35-F40 HydrophobicContact CD2-CB 4.26Å; L35-F40 HydrophobicContact CD2-CD2 3.81Å; L35-F40 HydrophobicContact CD2-CE2 4.46Å; L35-F40 HydrophobicContact CD2-CG 4.09Å
36D78.9Confident81.3Confident90 Ų9099.6 Ų99.648%0.48150%0.502SS..  trans-70.5108.9165.9168.646.8000108.9T34 K38 S39 F40T34-D36 PolarHBondContact O-N 2.92Å; T34-D36 VanDerWaalsContact O-N 3.12Å; D36-K38 PolarHBondContact O-N 2.99Å; D36-K38 VanDerWaalsContact O-N 3.15Å; D36-K38 PolarHBondContact OD1-N 3.43Å; D36-S39 WeakPolarHBondContact CB-OG 3.31Å; D36-S39 PolarHBondContact O-N 3.31Å; D36-S39 PolarHBondContact O-OG 3.46Å; D36-S39 VanDerWaalsContact O-OG 3.14Å; D36-S39 VanDerWaalsContact OD2-CB 3.27Å; D36-S39 WeakPolarHBondContact OD2-CB 3.43Å; D36-S39 PolarHBondContact OD2-N 3.47Å; D36-S39 PolarHBondContact OD2-OG 3.25Å; D36-F40 WeakPolarHBondContact O-CB 3.36Å; D36-F40 PolarHBondContact O-N 3.03Å; D36-F40 VanDerWaalsContact O-N 3.08Å
37F77.6Confident81.6Confident150 Ų150100.4 Ų100.466%0.65851%0.505SS*.Hα-helixtrans-56.5-33.5-176.1178-102.3000112.5L35 S41L35-F37 PolarHBondContact O-N 3.49Å; F37-S41 WeakPolarHBondContact O-CB 3.44Å; F37-S41 PolarHBondContact O-N 3.44Å
38K82.7Confident82.1Confident172 Ų17295.8 Ų95.875%0.74848%0.484SS*.Hα-helixtrans-70.6-48.9-176-168.9177.6-179.1-177.20112.1D36 K42D36-K38 PolarHBondContact O-N 2.99Å; D36-K38 VanDerWaalsContact O-N 3.15Å; D36-K38 PolarHBondContact OD1-N 3.43Å; K38-K42 PolarHBondContact O-N 2.93Å
39S82.6Confident82.4Confident67 Ų6794 Ų9447%0.46948%0.476SS..Hα-helixtrans-66.7-45.3176.249.10000111.9D36 S41 K42 E43D36-S39 WeakPolarHBondContact CB-OG 3.31Å; D36-S39 PolarHBondContact O-N 3.31Å; D36-S39 PolarHBondContact O-OG 3.46Å; D36-S39 VanDerWaalsContact O-OG 3.14Å; D36-S39 VanDerWaalsContact OD2-CB 3.27Å; D36-S39 WeakPolarHBondContact OD2-CB 3.43Å; D36-S39 PolarHBondContact OD2-N 3.47Å; D36-S39 PolarHBondContact OD2-OG 3.25Å; S39-S41 VanDerWaalsContact C-N 3.3Å; S39-S41 PolarHBondContact O-N 2.93Å; S39-K42 PolarHBondContact O-N 2.94Å; S39-K42 VanDerWaalsContact O-N 3.12Å; S39-E43 PolarHBondContact O-N 2.89Å
40F83.3Confident82.9Confident17 Ų1793.3 Ų93.38%0.07548%0.48CS..Hα-helixtrans-59.6-39.7177-178.3-99.8000112.5M22 R23 H26 L35 D36 K42 E43 C44M22-F40 HydrophobicContact CB-CE2 4.38Å; M22-F40 HydrophobicContact CB-CZ 3.94Å; R23-F40 HydrophobicContact CB-CZ 4.26Å; R23-F40 HydrophobicContact CG-CD1 4.42Å; R23-F40 HydrophobicContact CG-CE1 3.35Å; R23-F40 HydrophobicContact CG-CE2 4.42Å; R23-F40 HydrophobicContact CG-CZ 3.36Å; H26-F40 HydrophobicContact CB-CE2 4.19Å; L35-F40 HydrophobicContact CD2-CB 4.26Å; L35-F40 HydrophobicContact CD2-CD2 3.81Å; L35-F40 HydrophobicContact CD2-CE2 4.46Å; L35-F40 HydrophobicContact CD2-CG 4.09Å; D36-F40 WeakPolarHBondContact O-CB 3.36Å; D36-F40 PolarHBondContact O-N 3.03Å; D36-F40 VanDerWaalsContact O-N 3.08Å; F40-K42 PolarHBondContact O-N 2.94Å; F40-E43 PolarHBondContact O-N 2.94Å; F40-C44 WeakPolarHBondContact CE1-SG 3.4Å; F40-C44 WeakPolarHBondContact CZ-SG 3.28Å; F40-C44 WeakPolarHBondContact O-CB 3.29Å; F40-C44 PolarHBondContact O-N 3.19Å; F40-C44 PolarHBondContact O-SG 3.32Å
41S83.4Confident83.4Confident51 Ų5189.9 Ų89.936%0.35747%0.465SS..Hα-helixtrans-63.1-39.6176.6-178.20000112.5F37 S39 S45F37-S41 WeakPolarHBondContact O-CB 3.44Å; F37-S41 PolarHBondContact O-N 3.44Å; S39-S41 VanDerWaalsContact C-N 3.3Å; S39-S41 PolarHBondContact O-N 2.93Å; S41-S45 PolarHBondContact O-N 3.01Å
42K87.4Confident83.9Confident140 Ų14088.2 Ų88.261%0.60946%0.455SS*.Hα-helixtrans-68.2-47177.2-170.2-179.1177.3-170.10111.5K38 S39 F40 C44 S45 E46K38-K42 PolarHBondContact O-N 2.93Å; S39-K42 PolarHBondContact O-N 2.94Å; S39-K42 VanDerWaalsContact O-N 3.12Å; F40-K42 PolarHBondContact O-N 2.94Å; K42-C44 VanDerWaalsContact C-N 3.33Å; K42-C44 PolarHBondContact O-N 3.29Å; K42-S45 WeakPolarHBondContact O-CB 3.13Å; K42-S45 PolarHBondContact O-N 3.48Å; K42-E46 VanDerWaalsContact CE-OE1 3.27Å; K42-E46 WeakPolarHBondContact CE-OE1 3.29Å; K42-E46 PolarHBondContact O-N 3.34Å; K42-E46 VanDerWaalsContact O-N 3.11Å
43E86.7Confident84.4Confident93 Ų9384.8 Ų84.844%0.43545%0.449SS..Hα-helixtrans-58.7-44.8178.5-173.4-178.5145.100111.5S39 F40 S45 E46 Q47S39-E43 PolarHBondContact O-N 2.89Å; F40-E43 PolarHBondContact O-N 2.94Å; E43-S45 VanDerWaalsContact C-N 3.28Å; E43-S45 PolarHBondContact O-N 2.92Å; E43-E46 PolarHBondContact O-N 3.08Å; E43-Q47 HydrophobicContact CG-CG 4.45Å; E43-Q47 WeakPolarHBondContact O-CB 2.88Å; E43-Q47 WeakPolarHBondContact O-CG 3.44Å; E43-Q47 PolarHBondContact O-N 2.93Å; E43-Q47 PolarHBondContact OE1-NE2 3.46Å
44C88.5Confident85.2Confident0 Ų089.1 Ų89.10%046%0.46CS..Hα-helixtrans-60.9-37.3175.7-71.60000112.8F18 L19 F40 K42 W48F18-C44 HydrophobicContact CE1-CB 4.26Å; F18-C44 WeakPolarHBondContact CE1-O 3.38Å; L19-C44 HydrophobicContact CD2-CB 3.27Å; L19-C44 WeakPolarHBondContact CD2-SG 3.26Å; F40-C44 WeakPolarHBondContact CE1-SG 3.4Å; F40-C44 WeakPolarHBondContact CZ-SG 3.28Å; F40-C44 WeakPolarHBondContact O-CB 3.29Å; F40-C44 PolarHBondContact O-N 3.19Å; F40-C44 PolarHBondContact O-SG 3.32Å; K42-C44 VanDerWaalsContact C-N 3.33Å; K42-C44 PolarHBondContact O-N 3.29Å; C44-W48 VanDerWaalsContact O-CB 3.29Å; C44-W48 WeakPolarHBondContact O-CB 3.42Å; C44-W48 PolarHBondContact O-N 3.07Å
45S87.5Confident85.9Confident45 Ų4587 Ų8732%0.31544%0.441SS..Hα-helixtrans-65-42.4177.9-170.70000111.7S41 K42 E43 K49S41-S45 PolarHBondContact O-N 3.01Å; K42-S45 WeakPolarHBondContact O-CB 3.13Å; K42-S45 PolarHBondContact O-N 3.48Å; E43-S45 VanDerWaalsContact C-N 3.28Å; E43-S45 PolarHBondContact O-N 2.92Å; S45-K49 WeakPolarHBondContact O-CG 3.42Å; S45-K49 PolarHBondContact O-N 2.99Å
46E90.2Very high87.1Confident96 Ų9687 Ų8745%0.44944%0.438SS..Hα-helixtrans-67.9-46.9178.2-69.6173.7-173.900111.3K42 E43 W48 K49 N50K42-E46 VanDerWaalsContact CE-OE1 3.27Å; K42-E46 WeakPolarHBondContact CE-OE1 3.29Å; K42-E46 PolarHBondContact O-N 3.34Å; K42-E46 VanDerWaalsContact O-N 3.11Å; E43-E46 PolarHBondContact O-N 3.08Å; E46-W48 PolarHBondContact O-N 3.19Å; E46-K49 PolarHBondContact O-N 3.36Å; E46-N50 PolarHBondContact O-N 2.98Å; E46-N50 VanDerWaalsContact O-N 3.14Å; E46-N50 PolarHBondContact O-ND2 3.39Å
47Q87.8Confident87.8Confident60 Ų6089 Ų8928%0.2844%0.442SS..Hα-helixtrans-60.6-43.8177-71.8178.2100111.8F18 M22 E43 K49 N50 L51F18-Q47 HydrophobicContact CE1-CB 4.28Å; F18-Q47 HydrophobicContact CZ-CB 3.64Å; M22-Q47 PolarHBondContact SD-OE1 3.25Å; E43-Q47 HydrophobicContact CG-CG 4.45Å; E43-Q47 WeakPolarHBondContact O-CB 2.88Å; E43-Q47 WeakPolarHBondContact O-CG 3.44Å; E43-Q47 PolarHBondContact O-N 2.93Å; E43-Q47 PolarHBondContact OE1-NE2 3.46Å; Q47-K49 VanDerWaalsContact C-N 3.3Å; Q47-K49 PolarHBondContact O-N 3.47Å; Q47-N50 CarbonylContact O-C 3.53Å; Q47-N50 PolarHBondContact O-N 3.47Å; Q47-N50 VanDerWaalsContact O-N 3.11Å; Q47-L51 WeakPolarHBondContact O-CG 3.42Å; Q47-L51 PolarHBondContact O-N 2.96Å
48W90.7Very high88.5Confident55 Ų5588.3 Ų88.321%0.20844%0.439CS..Hα-helixtrans-60.3-38.1177.6179.8-103.8000113A14 Y15 F18 C44 E46 N50 L51 K56 F59A14-W48 HydrophobicContact CB-CH2 3.73Å; A14-W48 HydrophobicContact CB-CZ2 4.15Å; Y15-W48 HydrophobicContact CD2-CB 3.9Å; Y15-W48 AromaticContact CD2-CD1 3.89Å; Y15-W48 AromaticContact CD2-CD2 3.66Å; Y15-W48 HydrophobicContact CD2-CD2 3.66Å; Y15-W48 HydrophobicContact CD2-CE3 4.13Å; Y15-W48 AromaticContact CD2-CG 3.53Å; Y15-W48 HydrophobicContact CD2-CG 3.53Å; Y15-W48 HydrophobicContact CE2-CB 3.73Å; Y15-W48 HydrophobicContact CE2-CD2 4.42Å; Y15-W48 AromaticContact CE2-CG 3.87Å; Y15-W48 HydrophobicContact CE2-CG 3.87Å; F18-W48 HydrophobicContact CB-CE3 3.51Å; F18-W48 HydrophobicContact CB-CZ3 3.46Å; F18-W48 VanDerWaalsContact CB-CZ3 3.46Å; F18-W48 HydrophobicContact CD1-CB 4.13Å; F18-W48 HydrophobicContact CD1-CD2 4.42Å; F18-W48 AromaticContact CD1-CE3 3.68Å; F18-W48 HydrophobicContact CD1-CE3 3.68Å; F18-W48 HydrophobicContact CD2-CE3 4.11Å; F18-W48 HydrophobicContact CD2-CZ3 4.48Å; F18-W48 HydrophobicContact CE1-CB 4Å; F18-W48 HydrophobicContact CE1-CE3 4.46Å; F18-W48 AromaticContact CG-CE3 3.48Å; F18-W48 HydrophobicContact CG-CE3 3.48Å; F18-W48 VanDerWaalsContact CG-CE3 3.48Å; F18-W48 AromaticContact CG-CZ3 3.92Å; F18-W48 HydrophobicContact CG-CZ3 3.92Å; C44-W48 VanDerWaalsContact O-CB 3.29Å; C44-W48 WeakPolarHBondContact O-CB 3.42Å; C44-W48 PolarHBondContact O-N 3.07Å; E46-W48 PolarHBondContact O-N 3.19Å; W48-N50 VanDerWaalsContact C-N 3.33Å; W48-L51 HydrophobicContact CD2-CD1 4.45Å; W48-L51 HydrophobicContact CE3-CD1 3.56Å; W48-L51 HydrophobicContact CZ3-CD1 3.87Å; W48-K56 HydrophobicContact CH2-CG 4.29Å; W48-K56 HydrophobicContact CZ2-CG 4.37Å; W48-K56 WeakPolarHBondContact O-CE 3.41Å; W48-K56 PolarHBondContact O-NZ 3.45Å; W48-F59 HydrophobicContact CH2-CB 3.98Å; W48-F59 HydrophobicContact CZ3-CB 3.91Å; W48-F59 AromaticContact CZ3-CD2 3.76Å; W48-F59 HydrophobicContact CZ3-CD2 3.76Å; W48-F59 AromaticContact CZ3-CG 3.98Å; W48-F59 HydrophobicContact CZ3-CG 3.98Å
49K90Very high89Confident144 Ų14481 Ų8163%0.62641%0.408SS*.Hα-helixtrans-63.4-42.7175.5-72172.9-174.1178.70110.9S45 E46 Q47 K56S45-K49 WeakPolarHBondContact O-CG 3.42Å; S45-K49 PolarHBondContact O-N 2.99Å; E46-K49 PolarHBondContact O-N 3.36Å; Q47-K49 VanDerWaalsContact C-N 3.3Å; Q47-K49 PolarHBondContact O-N 3.47Å; K49-K56 PolarHBondContact O-NZ 2.93Å
50N89.8Confident89.5Confident140 Ų14083.8 Ų83.875%0.74941%0.411SS*.Hα-helixtrans-76.1-15.9-177.9-68.3-21.3000114.8E46 Q47 W48E46-N50 PolarHBondContact O-N 2.98Å; E46-N50 VanDerWaalsContact O-N 3.14Å; E46-N50 PolarHBondContact O-ND2 3.39Å; Q47-N50 CarbonylContact O-C 3.53Å; Q47-N50 PolarHBondContact O-N 3.47Å; Q47-N50 VanDerWaalsContact O-N 3.11Å; W48-N50 VanDerWaalsContact C-N 3.33Å
51L88.9Confident90Very high25 Ų2586.4 Ų86.413%0.13143%0.426CS..SBendtrans-60139.4175.9-71.8-179.3000112F18 Q47 W48 E55 K56 F59F18-L51 HydrophobicContact CD2-CD1 3.66Å; F18-L51 HydrophobicContact CE2-CD1 3.73Å; F18-L51 HydrophobicContact CE2-CD2 4.41Å; F18-L51 HydrophobicContact CE2-CG 4.33Å; F18-L51 HydrophobicContact CG-CD1 4.3Å; F18-L51 HydrophobicContact CZ-CD1 4.44Å; Q47-L51 WeakPolarHBondContact O-CG 3.42Å; Q47-L51 PolarHBondContact O-N 2.96Å; W48-L51 HydrophobicContact CD2-CD1 4.45Å; W48-L51 HydrophobicContact CE3-CD1 3.56Å; W48-L51 HydrophobicContact CZ3-CD1 3.87Å; L51-E55 HydrophobicContact CB-CB 4.24Å; L51-E55 HydrophobicContact CD2-CB 4.07Å; L51-E55 HydrophobicContact CD2-CG 4.49Å; L51-K56 HydrophobicContact CB-CG 3.93Å; L51-K56 WeakPolarHBondContact O-CE 3.37Å; L51-K56 PolarHBondContact O-NZ 2.83Å; L51-F59 HydrophobicContact CD1-CD2 3.91Å; L51-F59 HydrophobicContact CD1-CE2 3.65Å
52S90.3Very high90.4Very high55 Ų5587.7 Ų87.739%0.38543%0.428SS..  trans-67162.1175.268.50000112.1K54 E55 K56S52-K54 PolarHBondContact O-N 2.84Å; S52-E55 VanDerWaalsContact CB-OE2 3.3Å; S52-E55 WeakPolarHBondContact CB-OE2 3.16Å; S52-E55 PolarHBondContact N-OE2 3.14Å; S52-E55 PolarHBondContact O-N 3.4Å; S52-E55 WeakPolarHBondContact OG-CG 3.25Å; S52-E55 PolarHBondContact OG-N 2.83Å; S52-E55 PolarHBondContact OG-OE2 2.99Å; S52-K56 WeakPolarHBondContact O-CB 3.14Å; S52-K56 WeakPolarHBondContact O-CG 3.31Å; S52-K56 PolarHBondContact O-N 2.96Å
53A89.9Confident90.7Very high87 Ų8781.4 Ų81.472%0.71940%0.402SS*.Hα-helixtrans-57.9-34.4175.200000112.5K57A53-K57 VanDerWaalsContact O-CB 3.31Å; A53-K57 WeakPolarHBondContact O-CB 3.33Å; A53-K57 PolarHBondContact O-N 2.95Å
54K91.8Very high91Very high180 Ų18080.5 Ų80.578%0.78340%0.401SS*.Hα-helixtrans-68.3-41.9178.3-172.8176.7-179.9178.20111.9S52 K57 K58S52-K54 PolarHBondContact O-N 2.84Å; K54-K57 WeakPolarHBondContact O-CB 3.3Å; K54-K57 PolarHBondContact O-N 3.22Å; K54-K58 PolarHBondContact O-N 3.14Å; K54-K58 VanDerWaalsContact O-N 3.14Å
55E90.3Very high91.3Very high90 Ų9087.7 Ų87.742%0.42143%0.432SS..Hα-helixtrans-69.7-44.6176.3-68.5164.411700111.2L51 S52 K57 K58 F59L51-E55 HydrophobicContact CB-CB 4.24Å; L51-E55 HydrophobicContact CD2-CB 4.07Å; L51-E55 HydrophobicContact CD2-CG 4.49Å; S52-E55 VanDerWaalsContact CB-OE2 3.3Å; S52-E55 WeakPolarHBondContact CB-OE2 3.16Å; S52-E55 PolarHBondContact N-OE2 3.14Å; S52-E55 PolarHBondContact O-N 3.4Å; S52-E55 WeakPolarHBondContact OG-CG 3.25Å; S52-E55 PolarHBondContact OG-N 2.83Å; S52-E55 PolarHBondContact OG-OE2 2.99Å; E55-K57 PolarHBondContact O-N 3.43Å; E55-K58 WeakPolarHBondContact O-CB 3.37Å; E55-K58 PolarHBondContact O-N 2.9Å; E55-K58 VanDerWaalsContact O-N 3.09Å; E55-F59 WeakPolarHBondContact O-CD2 3.38Å; E55-F59 PolarHBondContact O-N 3.37Å
56K91Very high91.5Very high69 Ų6986.6 Ų86.630%0.342%0.423SS..Hα-helixtrans-57.5-38.4173.1-73.7174.6177.3152.80111.6W48 K49 L51 S52 F59 K60W48-K56 HydrophobicContact CH2-CG 4.29Å; W48-K56 HydrophobicContact CZ2-CG 4.37Å; W48-K56 WeakPolarHBondContact O-CE 3.41Å; W48-K56 PolarHBondContact O-NZ 3.45Å; K49-K56 PolarHBondContact O-NZ 2.93Å; L51-K56 HydrophobicContact CB-CG 3.93Å; L51-K56 WeakPolarHBondContact O-CE 3.37Å; L51-K56 PolarHBondContact O-NZ 2.83Å; S52-K56 WeakPolarHBondContact O-CB 3.14Å; S52-K56 WeakPolarHBondContact O-CG 3.31Å; S52-K56 PolarHBondContact O-N 2.96Å; K56-F59 PolarHBondContact O-N 3.46Å; K56-K60 WeakPolarHBondContact O-CB 2.91Å; K56-K60 PolarHBondContact O-N 2.98Å
57K93.3Very high91.7Very high132 Ų13286.4 Ų86.457%0.57442%0.42SS*.Hα-helixtrans-61-46174.3-173.9179.4178.6-177.60111.7A53 K54 E55 F59 K60 D61A53-K57 VanDerWaalsContact O-CB 3.31Å; A53-K57 WeakPolarHBondContact O-CB 3.33Å; A53-K57 PolarHBondContact O-N 2.95Å; K54-K57 WeakPolarHBondContact O-CB 3.3Å; K54-K57 PolarHBondContact O-N 3.22Å; E55-K57 PolarHBondContact O-N 3.43Å; K57-F59 VanDerWaalsContact C-N 3.27Å; K57-F59 PolarHBondContact O-N 3.49Å; K57-K60 WeakPolarHBondContact O-CA 3.22Å; K57-K60 WeakPolarHBondContact O-CB 3.28Å; K57-K60 PolarHBondContact O-N 3.03Å; K57-D61 VanDerWaalsContact O-CG 3.28Å; K57-D61 PolarHBondContact O-N 3.36Å
58K92.7Very high91.9Very high137 Ų13788 Ų8860%0.59643%0.428SS*.Hα-helixtrans-54.1-44.4175179.4-175.5175.8-175.60111.9K54 E55 L62K54-K58 PolarHBondContact O-N 3.14Å; K54-K58 VanDerWaalsContact O-N 3.14Å; E55-K58 WeakPolarHBondContact O-CB 3.37Å; E55-K58 PolarHBondContact O-N 2.9Å; E55-K58 VanDerWaalsContact O-N 3.09Å; K58-L62 WeakPolarHBondContact O-CG 3.35Å; K58-L62 PolarHBondContact O-N 3.3Å; K58-L62 VanDerWaalsContact O-N 3.1Å
59F93.4Very high92.1Very high19 Ų1989.4 Ų89.48%0.08343%0.433CS..Hα-helixtrans-71.7-31.6178-65.7-65.6000113.3A14 A17 F18 S21 W48 L51 E55 K56 K57 L62 A63A14-F59 HydrophobicContact CB-CB 4.24Å; A14-F59 WeakPolarHBondContact O-CB 3.42Å; A17-F59 HydrophobicContact CB-CD1 4.23Å; F18-F59 HydrophobicContact CB-CD1 3.91Å; F18-F59 HydrophobicContact CB-CD2 4.23Å; F18-F59 HydrophobicContact CB-CE1 4.03Å; F18-F59 HydrophobicContact CB-CE2 4.35Å; F18-F59 HydrophobicContact CB-CG 4.03Å; F18-F59 HydrophobicContact CB-CZ 4.26Å; F18-F59 HydrophobicContact CD2-CD2 4.32Å; F18-F59 HydrophobicContact CD2-CE1 4.18Å; F18-F59 AromaticContact CD2-CE2 3.7Å; F18-F59 HydrophobicContact CD2-CE2 3.7Å; F18-F59 AromaticContact CD2-CZ 3.63Å; F18-F59 HydrophobicContact CD2-CZ 3.63Å; F18-F59 HydrophobicContact CG-CE2 4.49Å; F18-F59 HydrophobicContact CG-CZ 4.45Å; S21-F59 WeakPolarHBondContact OG-CE1 3.48Å; W48-F59 HydrophobicContact CH2-CB 3.98Å; W48-F59 HydrophobicContact CZ3-CB 3.91Å; W48-F59 AromaticContact CZ3-CD2 3.76Å; W48-F59 HydrophobicContact CZ3-CD2 3.76Å; W48-F59 AromaticContact CZ3-CG 3.98Å; W48-F59 HydrophobicContact CZ3-CG 3.98Å; L51-F59 HydrophobicContact CD1-CD2 3.91Å; L51-F59 HydrophobicContact CD1-CE2 3.65Å; E55-F59 WeakPolarHBondContact O-CD2 3.38Å; E55-F59 PolarHBondContact O-N 3.37Å; K56-F59 PolarHBondContact O-N 3.46Å; K57-F59 VanDerWaalsContact C-N 3.27Å; K57-F59 PolarHBondContact O-N 3.49Å; F59-L62 HydrophobicContact CD1-CD1 4.27Å; F59-A63 WeakPolarHBondContact O-CB 3.26Å; F59-A63 PolarHBondContact O-N 3.25Å
60K92.8Very high92.2Very high124 Ų12485.4 Ų85.454%0.53941%0.414SS..Hα-helixtrans-64.7-46.7172.1-171.3-179.7178.1-177.80111.4A14 K56 K57 L62 A63 D64A14-K60 HydrophobicContact CB-CB 4.39Å; K56-K60 WeakPolarHBondContact O-CB 2.91Å; K56-K60 PolarHBondContact O-N 2.98Å; K57-K60 WeakPolarHBondContact O-CA 3.22Å; K57-K60 WeakPolarHBondContact O-CB 3.28Å; K57-K60 PolarHBondContact O-N 3.03Å; K60-L62 VanDerWaalsContact C-N 3.29Å; K60-L62 PolarHBondContact O-N 3.31Å; K60-A63 CarbonylContact O-C 3.59Å; K60-A63 WeakPolarHBondContact O-CA 3.39Å; K60-A63 WeakPolarHBondContact O-CB 3.21Å; K60-A63 PolarHBondContact O-N 2.92Å; K60-A63 VanDerWaalsContact O-N 3.08Å; K60-D64 PolarHBondContact O-N 3.3Å
61D93.8Very high92.3Very high73 Ų7384.4 Ų84.439%0.3940%0.4SS..Hα-helixtrans-63.1-36.5178-60.9-18.4000111.4K57 D64 K65K57-D61 VanDerWaalsContact O-CG 3.28Å; K57-D61 PolarHBondContact O-N 3.36Å; D61-D64 PolarHBondContact O-N 3.28Å; D61-K65 WeakPolarHBondContact O-CG 3.44Å; D61-K65 PolarHBondContact O-N 2.89Å; D61-K65 VanDerWaalsContact O-N 3.12Å
62L92Very high92.5Very high77 Ų7786.3 Ų86.340%0.40342%0.415SS..Hα-helixtrans-65-43171.8-74.5171.2000112A17 K58 F59 K60 D64 K65 D66A17-L62 HydrophobicContact CB-CB 4.22Å; K58-L62 WeakPolarHBondContact O-CG 3.35Å; K58-L62 PolarHBondContact O-N 3.3Å; K58-L62 VanDerWaalsContact O-N 3.1Å; F59-L62 HydrophobicContact CD1-CD1 4.27Å; K60-L62 VanDerWaalsContact C-N 3.29Å; K60-L62 PolarHBondContact O-N 3.31Å; L62-D64 VanDerWaalsContact C-N 3.33Å; L62-K65 PolarHBondContact O-N 2.86Å; L62-D66 VanDerWaalsContact O-CB 3.31Å; L62-D66 WeakPolarHBondContact O-CB 3.28Å; L62-D66 PolarHBondContact O-N 3.42Å
63A93.6Very high92.6Very high8 Ų887.5 Ų87.57%0.06641%0.414CS..Hα-helixtrans-64.5-37176.400000112.6M12 N13 A14 F59 K60 D66 K67M12-A63 WeakPolarHBondContact O-CA 3.45Å; M12-A63 VanDerWaalsContact O-CB 3.28Å; M12-A63 WeakPolarHBondContact O-CB 3.41Å; N13-A63 VanDerWaalsContact C-CB 3.45Å; A14-A63 HydrophobicContact CB-CB 4.26Å; A14-A63 VanDerWaalsContact N-CB 3.31Å; F59-A63 WeakPolarHBondContact O-CB 3.26Å; F59-A63 PolarHBondContact O-N 3.25Å; K60-A63 CarbonylContact O-C 3.59Å; K60-A63 WeakPolarHBondContact O-CA 3.39Å; K60-A63 WeakPolarHBondContact O-CB 3.21Å; K60-A63 PolarHBondContact O-N 2.92Å; K60-A63 VanDerWaalsContact O-N 3.08Å; A63-D66 PolarHBondContact O-N 3.05Å; A63-K67 VanDerWaalsContact O-CB 3.29Å; A63-K67 WeakPolarHBondContact O-CB 3.34Å; A63-K67 PolarHBondContact O-N 3.48Å
64D93.5Very high92.6Very high75 Ų7586.6 Ų86.640%0.40140%0.396SS..Hα-helixtrans-66.5-41.3176.1-70.6-31.1000111.1K60 D61 L62 K67 E68K60-D64 PolarHBondContact O-N 3.3Å; D61-D64 PolarHBondContact O-N 3.28Å; L62-D64 VanDerWaalsContact C-N 3.33Å; D64-K67 WeakPolarHBondContact O-CB 3.39Å; D64-K67 PolarHBondContact O-N 2.89Å; D64-E68 PolarHBondContact O-N 3.49Å
65K93.3Very high92.4Very high150 Ų15085.3 Ų85.365%0.65239%0.393SS*.Hα-helixtrans-63.3-42172-72.1174.4-179.8175.50112.6D61 L62 K67 E68 R69D61-K65 WeakPolarHBondContact O-CG 3.44Å; D61-K65 PolarHBondContact O-N 2.89Å; D61-K65 VanDerWaalsContact O-N 3.12Å; L62-K65 PolarHBondContact O-N 2.86Å; K65-K67 VanDerWaalsContact C-N 3.28Å; K65-K67 PolarHBondContact O-N 3.21Å; K65-E68 PolarHBondContact O-N 3.26Å; K65-R69 PolarHBondContact O-N 3.03Å
66D92.7Very high92.2Very high23 Ų2388.7 Ų88.712%0.12341%0.408CS..Hα-helixtrans-67.6-32.3179.6-170.693.3000112.1A11 M12 L62 A63 R69 Y70A11-D66 WeakPolarHBondContact CA-OD2 3.44Å; M12-D66 HydrophobicContact CB-CB 4.35Å; M12-D66 WeakPolarHBondContact CB-OD2 3.33Å; M12-D66 WeakPolarHBondContact CG-OD2 3.32Å; M12-D66 PolarHBondContact N-OD2 3.41Å; L62-D66 VanDerWaalsContact O-CB 3.31Å; L62-D66 WeakPolarHBondContact O-CB 3.28Å; L62-D66 PolarHBondContact O-N 3.42Å; A63-D66 PolarHBondContact O-N 3.05Å; D66-R69 VanDerWaalsContact CG-CZ 3.49Å; D66-R69 PolarHBondContact O-N 3.43Å; D66-R69 IonicContact OD1-CZ 2.9Å; D66-R69 IonicContact OD1-NE 3.61Å; D66-R69 IonicContact OD1-NH1 3.13Å; D66-R69 PolarHBondContact OD1-NH1 2.79Å; D66-R69 VanDerWaalsContact OD1-NH1 3.13Å; D66-R69 IonicContact OD1-NH2 2.72Å; D66-R69 PolarHBondContact OD1-NH2 3.21Å; D66-R69 IonicContact OD2-CZ 3.95Å; D66-R69 IonicContact OD2-NH2 3.54Å; D66-R69 PolarHBondContact OD2-NH2 3.35Å; D66-Y70 PolarHBondContact O-N 3.45Å
67K93.7Very high92Very high92 Ų9287.3 Ų87.340%0.440%0.401SS..Hα-helixtrans-62.7-41.5170.5-175-176.6-178.3-175.50112A11 A63 D64 K65 Y70 R71A11-K67 HydrophobicContact CB-CB 4.22Å; A11-K67 HydrophobicContact CB-CG 4.44Å; A63-K67 VanDerWaalsContact O-CB 3.29Å; A63-K67 WeakPolarHBondContact O-CB 3.34Å; A63-K67 PolarHBondContact O-N 3.48Å; D64-K67 WeakPolarHBondContact O-CB 3.39Å; D64-K67 PolarHBondContact O-N 2.89Å; K65-K67 VanDerWaalsContact C-N 3.28Å; K65-K67 PolarHBondContact O-N 3.21Å; K67-Y70 PolarHBondContact O-N 3.48Å; K67-R71 VanDerWaalsContact O-CG 3.27Å; K67-R71 WeakPolarHBondContact O-CG 3.34Å; K67-R71 PolarHBondContact O-N 3.05Å
68E93.3Very high91.4Very high92 Ų9289.2 Ų89.243%0.4341%0.412SS..Hα-helixtrans-66.7-42.8174.7-64.5-54.7114.500111.6D64 K65 Y70 R71 C72D64-E68 PolarHBondContact O-N 3.49Å; K65-E68 PolarHBondContact O-N 3.26Å; E68-Y70 VanDerWaalsContact C-N 3.34Å; E68-Y70 PolarHBondContact O-N 2.94Å; E68-R71 WeakPolarHBondContact O-CB 3.07Å; E68-R71 PolarHBondContact O-N 3.31Å; E68-R71 VanDerWaalsContact O-N 3.14Å; E68-R71 VanDerWaalsContact OE1-CD 3.32Å; E68-R71 WeakPolarHBondContact OE1-CD 3.23Å; E68-R71 IonicContact OE1-CZ 2.76Å; E68-R71 IonicContact OE1-NE 3.16Å; E68-R71 IonicContact OE1-NH1 3.97Å; E68-R71 PolarHBondContact OE1-NH1 3.39Å; E68-R71 IonicContact OE2-NH1 3.72Å; E68-C72 PolarHBondContact O-N 2.82Å; E68-C72 PolarHBondContact O-SG 2.93Å; E68-C72 VanDerWaalsContact O-SG 3.4Å
69R93.8Very high90.7Very high86 Ų8686.4 Ų86.433%0.32541%0.408SS..Hα-helixtrans-54.5-50.3171.3176.3-147.458.3-176.7-5.1111.4K65 D66 R71 C72 E73K65-R69 PolarHBondContact O-N 3.03Å; D66-R69 VanDerWaalsContact CG-CZ 3.49Å; D66-R69 PolarHBondContact O-N 3.43Å; D66-R69 IonicContact OD1-CZ 2.9Å; D66-R69 IonicContact OD1-NE 3.61Å; D66-R69 IonicContact OD1-NH1 3.13Å; D66-R69 PolarHBondContact OD1-NH1 2.79Å; D66-R69 VanDerWaalsContact OD1-NH1 3.13Å; D66-R69 IonicContact OD1-NH2 2.72Å; D66-R69 PolarHBondContact OD1-NH2 3.21Å; D66-R69 IonicContact OD2-CZ 3.95Å; D66-R69 IonicContact OD2-NH2 3.54Å; D66-R69 PolarHBondContact OD2-NH2 3.35Å; R69-R71 VanDerWaalsContact C-N 3.28Å; R69-R71 PolarHBondContact O-N 2.88Å; R69-C72 PolarHBondContact O-N 2.82Å; R69-E73 VanDerWaalsContact CD-OE1 3.32Å; R69-E73 WeakPolarHBondContact CD-OE1 3.4Å; R69-E73 HydrophobicContact CG-CG 4.35Å; R69-E73 WeakPolarHBondContact CG-OE1 3.27Å; R69-E73 IonicContact NE-OE1 2.71Å; R69-E73 WeakPolarHBondContact O-CG 2.89Å; R69-E73 PolarHBondContact O-N 3.35Å
70Y93.2Very high89.9Confident59 Ų5989.2 Ų89.223%0.23143%0.428CS..Hα-helixtrans-61.8-37.5179.5178.4-113.5000112.2P8 K9 A11 D66 K67 E68 M74P8-Y70 HydrophobicContact CB-CD2 4.02Å; P8-Y70 HydrophobicContact CB-CE2 3.93Å; K9-Y70 WeakPolarHBondContact O-CD2 3.05Å; A11-Y70 HydrophobicContact CB-CD1 3.91Å; A11-Y70 HydrophobicContact CB-CG 4Å; D66-Y70 PolarHBondContact O-N 3.45Å; K67-Y70 PolarHBondContact O-N 3.48Å; E68-Y70 VanDerWaalsContact C-N 3.34Å; E68-Y70 PolarHBondContact O-N 2.94Å; Y70-M74 HydrophobicContact CD1-CG 4.19Å; Y70-M74 HydrophobicContact CD2-CG 3.85Å; Y70-M74 HydrophobicContact CE1-CG 3.78Å; Y70-M74 HydrophobicContact CE2-CG 3.38Å; Y70-M74 HydrophobicContact CE2-SD 3.66Å; Y70-M74 HydrophobicContact CG-CG 4.23Å; Y70-M74 WeakPolarHBondContact O-CB 3.34Å; Y70-M74 WeakPolarHBondContact O-CG 3.49Å; Y70-M74 PolarHBondContact O-N 3.03Å; Y70-M74 PolarHBondContact OH-SD 3.48Å; Y70-M74 VanDerWaalsContact OH-SD 3.32Å
71R91.5Very high88.8Confident120 Ų12087.6 Ų87.645%0.45344%0.438SS..Hα-helixtrans-60.8-52174.6-75.9165.6167.6-160.7-12.7110.9K67 E68 R69 E73 M74 E75K67-R71 VanDerWaalsContact O-CG 3.27Å; K67-R71 WeakPolarHBondContact O-CG 3.34Å; K67-R71 PolarHBondContact O-N 3.05Å; E68-R71 WeakPolarHBondContact O-CB 3.07Å; E68-R71 PolarHBondContact O-N 3.31Å; E68-R71 VanDerWaalsContact O-N 3.14Å; E68-R71 VanDerWaalsContact OE1-CD 3.32Å; E68-R71 WeakPolarHBondContact OE1-CD 3.23Å; E68-R71 IonicContact OE1-CZ 2.76Å; E68-R71 IonicContact OE1-NE 3.16Å; E68-R71 IonicContact OE1-NH1 3.97Å; E68-R71 PolarHBondContact OE1-NH1 3.39Å; E68-R71 IonicContact OE2-NH1 3.72Å; R69-R71 VanDerWaalsContact C-N 3.28Å; R69-R71 PolarHBondContact O-N 2.88Å; R71-E73 PolarHBondContact O-N 2.53Å; R71-M74 PolarHBondContact O-N 3.15Å; R71-E75 WeakPolarHBondContact O-CG 3.43Å; R71-E75 PolarHBondContact O-N 3.02Å
72C93Very high87.5Confident64 Ų6488.6 Ų88.643%0.43244%0.443SS..Hα-helixtrans-61.9-42.9179-63.90000112.6E68 R69 M74 E75 H76E68-C72 PolarHBondContact O-N 2.82Å; E68-C72 PolarHBondContact O-SG 2.93Å; E68-C72 VanDerWaalsContact O-SG 3.4Å; R69-C72 PolarHBondContact O-N 2.82Å; C72-M74 VanDerWaalsContact C-N 3.32Å; C72-M74 PolarHBondContact O-N 2.9Å; C72-E75 PolarHBondContact O-N 3.01Å; C72-H76 PolarHBondContact O-N 3.37Å; C72-H76 PolarHBondContact O-ND1 2.9Å
73E92.6Very high86.1Confident81 Ų8194.5 Ų94.538%0.37947%0.469SS..Hα-helixtrans-63.6-38.8175.9-72.2177.5-17100111.6P8 R69 R71 H76 Y77P8-E73 HydrophobicContact CB-CB 3.7Å; P8-E73 WeakPolarHBondContact CB-OE2 3.29Å; P8-E73 HydrophobicContact CG-CB 3.69Å; R69-E73 VanDerWaalsContact CD-OE1 3.32Å; R69-E73 WeakPolarHBondContact CD-OE1 3.4Å; R69-E73 HydrophobicContact CG-CG 4.35Å; R69-E73 WeakPolarHBondContact CG-OE1 3.27Å; R69-E73 IonicContact NE-OE1 2.71Å; R69-E73 WeakPolarHBondContact O-CG 2.89Å; R69-E73 PolarHBondContact O-N 3.35Å; R71-E73 PolarHBondContact O-N 2.53Å; E73-H76 PolarHBondContact O-N 3.24Å; E73-Y77 WeakPolarHBondContact O-CB 3.23Å; E73-Y77 PolarHBondContact O-N 3Å
74M88.9Confident84.6Confident67 Ų6797.4 Ų97.433%0.3350%0.499SS..Hα-helixtrans-70.1-28177.5-76.9-66.8-56.600113.6P8 Y70 R71 C72 H76 Y77P8-M74 HydrophobicContact CB-CG 4.36Å; P8-M74 HydrophobicContact CB-SD 4.14Å; P8-M74 HydrophobicContact CG-CG 4.43Å; P8-M74 HydrophobicContact CG-SD 4.02Å; Y70-M74 HydrophobicContact CD1-CG 4.19Å; Y70-M74 HydrophobicContact CD2-CG 3.85Å; Y70-M74 HydrophobicContact CE1-CG 3.78Å; Y70-M74 HydrophobicContact CE2-CG 3.38Å; Y70-M74 HydrophobicContact CE2-SD 3.66Å; Y70-M74 HydrophobicContact CG-CG 4.23Å; Y70-M74 WeakPolarHBondContact O-CB 3.34Å; Y70-M74 WeakPolarHBondContact O-CG 3.49Å; Y70-M74 PolarHBondContact O-N 3.03Å; Y70-M74 PolarHBondContact OH-SD 3.48Å; Y70-M74 VanDerWaalsContact OH-SD 3.32Å; R71-M74 PolarHBondContact O-N 3.15Å; C72-M74 VanDerWaalsContact C-N 3.32Å; C72-M74 PolarHBondContact O-N 2.9Å; M74-H76 VanDerWaalsContact C-N 3.28Å; M74-Y77 HydrophobicContact CE-CD1 4.05Å; M74-Y77 PolarHBondContact O-N 2.75Å; M74-Y77 HydrophobicContact SD-CD1 3.95Å
75E87.5Confident83Confident154 Ų154103.2 Ų103.272%0.7252%0.515SS*.Hα-helixtrans-65.5-33173.3-74.6-180106.900112.1R71 C72R71-E75 WeakPolarHBondContact O-CG 3.43Å; R71-E75 PolarHBondContact O-N 3.02Å; C72-E75 PolarHBondContact O-N 3.01Å
76H86.9Confident81.4Confident160 Ų160101.2 Ų101.274%0.74152%0.52SS*.Hα-helixtrans-95.6-6.7179.7-60.884.4000113.2C72 E73 M74 E78C72-H76 PolarHBondContact O-N 3.37Å; C72-H76 PolarHBondContact O-ND1 2.9Å; E73-H76 PolarHBondContact O-N 3.24Å; M74-H76 VanDerWaalsContact C-N 3.28Å; H76-E78 PolarHBondContact O-N 3.46Å
77Y86.8Confident79.9Confident40 Ų40109 Ų10916%0.15755%0.553CS.*  trans-83.8112.4-179.7167.4-111.2000111.1D4 G6 K7 P8 E73 M74 P79D4-Y77 VanDerWaalsContact OD2-CE2 3.23Å; D4-Y77 WeakPolarHBondContact OD2-CE2 3.27Å; D4-Y77 VanDerWaalsContact OD2-CZ 3.23Å; D4-Y77 PolarHBondContact OD2-OH 3.23Å; G6-Y77 VanDerWaalsContact O-CD2 3.24Å; G6-Y77 WeakPolarHBondContact O-CD2 3.24Å; K7-Y77 HydrophobicContact CB-CE1 4.42Å; K7-Y77 HydrophobicContact CB-CE2 3.92Å; K7-Y77 HydrophobicContact CG-CE1 4.01Å; K7-Y77 HydrophobicContact CG-CE2 4.38Å; P8-Y77 VanDerWaalsContact CD-CD2 3.47Å; P8-Y77 HydrophobicContact CG-CD2 4.46Å; P8-Y77 HydrophobicContact CG-CG 4.01Å; E73-Y77 WeakPolarHBondContact O-CB 3.23Å; E73-Y77 PolarHBondContact O-N 3Å; M74-Y77 HydrophobicContact CE-CD1 4.05Å; M74-Y77 PolarHBondContact O-N 2.75Å; M74-Y77 HydrophobicContact SD-CD1 3.95Å; Y77-P79 HydrophobicContact CE1-CB 3.95Å; Y77-P79 HydrophobicContact CE1-CG 4.49Å; Y77-P79 WeakPolarHBondContact O-CD 3.11Å
78E79.7Confident78.4Confident173 Ų173114.3 Ų114.381%0.80858%0.576SS**  trans-92.1113.4166-66.1-171.6176.400109.3H76H76-E78 PolarHBondContact O-N 3.46Å
79P78Confident77.1Confident78 Ų78121.1 Ų121.151%0.50660%0.598SS.*  trans-61.2140172.425.6-32.1000108.9Y77 A81Y77-P79 HydrophobicContact CE1-CB 3.95Å; Y77-P79 HydrophobicContact CE1-CG 4.49Å; Y77-P79 WeakPolarHBondContact O-CD 3.11Å; P79-A81 PolarHBondContact O-N 3.35Å
80P76.9Confident75.8Confident77 Ų77127 Ų12750%0.563%0.626SS.*  trans-47.1142.2168.8-25.231.7000109.2D4 D82D4-P80 WeakPolarHBondContact OD2-CD 3.38Å; P80-D82 PolarHBondContact O-N 2.94Å
81A70.5Confident74.7Confident91 Ų91130.4 Ų130.475%0.75264%0.638SS**  trans-51.2108.7173.100000107.8P79 E83P79-A81 PolarHBondContact O-N 3.35Å; A81-E83 PolarHBondContact O-N 3.43Å
82D66.1Low74.1Confident93 Ų93126.8 Ų126.850%0.49763%0.628SS.*  trans-71.188.7-179.7-172.1-9.1000106.6P80 G84 R85P80-D82 PolarHBondContact O-N 2.94Å; D82-G84 PolarHBondContact O-N 3.4Å; D82-G84 WeakPolarHBondContact OD1-CA 3.15Å; D82-G84 PolarHBondContact OD1-N 3.46Å; D82-R85 PolarHBondContact O-N 2.82Å; D82-R85 PolarHBondContact OD1-N 3.43Å; D82-R85 WeakPolarHBondContact OD2-CB 3.09Å; D82-R85 WeakPolarHBondContact OD2-CD 3.25Å; D82-R85 VanDerWaalsContact OD2-CG 3.23Å; D82-R85 WeakPolarHBondContact OD2-CG 3.22Å; D82-R85 PolarHBondContact OD2-N 2.89Å
83E62.5Low73.4Confident202 Ų202129.6 Ų129.694%0.94465%0.646SS**SBendtrans-57.1-18.7175-64.6-160.6141.700111.1A81A81-E83 PolarHBondContact O-N 3.43Å
84G62.2Low73Confident68 Ų68131.5 Ų131.570%0.70166%0.658SS**SBendtrans-97.2-33.1-177.900000115.8D82D82-G84 PolarHBondContact O-N 3.4Å; D82-G84 WeakPolarHBondContact OD1-CA 3.15Å; D82-G84 PolarHBondContact OD1-N 3.46Å
85R60.3Low72.7Confident197 Ų197129.2 Ų129.274%0.74365%0.65SS**SBendtrans-111.393171.8-55.3174.2161.5-167.1-3.7109.9D82 K87D82-R85 PolarHBondContact O-N 2.82Å; D82-R85 PolarHBondContact OD1-N 3.43Å; D82-R85 WeakPolarHBondContact OD2-CB 3.09Å; D82-R85 WeakPolarHBondContact OD2-CD 3.25Å; D82-R85 VanDerWaalsContact OD2-CG 3.23Å; D82-R85 WeakPolarHBondContact OD2-CG 3.22Å; D82-R85 PolarHBondContact OD2-N 2.89Å; R85-K87 PolarHBondContact O-N 3Å
86S59.8Low72.7Confident108 Ų108123 Ų12376%0.75562%0.623SS**  trans-41.3112155.554.20000109.3K88S86-K88 PolarHBondContact O-N 3.14Å
87K60.6Low72.7Confident187 Ų187124.4 Ų124.481%0.81363%0.627SS**  trans-48.5114.5167.7-76.7174.2-178.2166.90104.8R85 R89R85-K87 PolarHBondContact O-N 3Å; K87-R89 VanDerWaalsContact C-N 3.35Å; K87-R89 PolarHBondContact O-N 3.36Å
88K63.3Low72.8Confident204 Ų204129.4 Ų129.489%0.88765%0.65SS**  trans-50.9106.5177.6-77.7179.3179.51700105.7S86 K90S86-K88 PolarHBondContact O-N 3.14Å; K88-K90 PolarHBondContact O-N 2.81Å
89R64.5Low73.3Confident235 Ų235122.7 Ų122.789%0.88762%0.624SS**  trans-51.4121.2-178.1-72176.565.9-178.43.1105.8K87 R91K87-R89 VanDerWaalsContact C-N 3.35Å; K87-R89 PolarHBondContact O-N 3.36Å; R89-R91 PolarHBondContact O-N 2.8Å
90K67.1Low74Confident208 Ų208122.3 Ų122.390%0.90462%0.617SS**  trans-54.8111.1174-70.2-176.7-178.5-179.90105.3K88 D92K88-K90 PolarHBondContact O-N 2.81Å; K90-D92 PolarHBondContact O-N 2.91Å
91R70.8Confident74.8Confident131 Ų131121.1 Ų121.149%0.49461%0.61SS.*  trans-68.4125.8177.2-169.4172.9-179.51641.1105.4R89 P96 K98R89-R91 PolarHBondContact O-N 2.8Å; R91-P96 PolarHBondContact NH2-O 2.93Å; R91-K98 VanDerWaalsContact NH2-N 3.11Å
92D78Confident76Confident45 Ų45117.4 Ų117.424%0.24158%0.58CS.*  trans-54.1125.2176.3-174.2-28.7000108.6K90 D94 A95 Y161 K165K90-D92 PolarHBondContact O-N 2.91Å; D92-D94 PolarHBondContact O-N 3.11Å; D92-D94 WeakPolarHBondContact OD1-CB 3.5Å; D92-D94 PolarHBondContact OD1-N 3.38Å; D92-A95 HydrophobicContact CB-CB 4Å; D92-A95 WeakPolarHBondContact O-CB 3.29Å; D92-A95 PolarHBondContact O-N 3.37Å; D92-Y161 WeakPolarHBondContact CB-OH 3.38Å; D92-Y161 PolarHBondContact OD2-OH 3.34Å; D92-K165 IonicContact OD2-NZ 2.66Å; D92-K165 PolarHBondContact OD2-NZ 3.21Å; D92-K165 VanDerWaalsContact OD2-NZ 3.11Å
93P79.1Confident77.3Confident123 Ų123116.1 Ų116.180%0.79957%0.57SS**THydrogen-bonded Turntrans-59.6-26.7179.924.8-34.2000112.5
94D82.5Confident78.8Confident120 Ų120112.1 Ų112.164%0.64255%0.55SS*.THydrogen-bonded Turntrans-84.6-10.2178.1-62.8-36.2000112.7D92 Y161D92-D94 PolarHBondContact O-N 3.11Å; D92-D94 WeakPolarHBondContact OD1-CB 3.5Å; D92-D94 PolarHBondContact OD1-N 3.38Å; D94-Y161 HydrophobicContact CB-CD2 4.5Å; D94-Y161 HydrophobicContact CB-CE2 4.1Å; D94-Y161 VanDerWaalsContact O-CD2 3.26Å; D94-Y161 WeakPolarHBondContact O-CD2 3.17Å
95A84.1Confident80.4Confident20 Ų20110.3 Ų110.317%0.16552%0.524CS..SBendtrans-70.6134.1178.500000111.2D92 K97 Y161D92-A95 HydrophobicContact CB-CB 4Å; D92-A95 WeakPolarHBondContact O-CB 3.29Å; D92-A95 PolarHBondContact O-N 3.37Å; A95-K97 PolarHBondContact O-N 3.36Å; A95-Y161 VanDerWaalsContact CA-CE2 3.48Å; A95-Y161 HydrophobicContact CB-CD1 4.43Å; A95-Y161 HydrophobicContact CB-CD2 4.46Å; A95-Y161 HydrophobicContact CB-CE1 3.88Å; A95-Y161 HydrophobicContact CB-CE2 3.93Å
96P87.3Confident82Confident24 Ų24101.3 Ų101.316%0.15649%0.49CS..PPolyproline II helixtrans-60.5144.6179.525.3-33.7000110.9R91 Y154 A157 M158R91-P96 PolarHBondContact NH2-O 2.93Å; P96-Y154 HydrophobicContact CB-CD2 4.25Å; P96-Y154 HydrophobicContact CB-CE2 4.14Å; P96-Y154 HydrophobicContact CG-CD2 4.39Å; P96-Y154 HydrophobicContact CG-CE2 3.97Å; P96-A157 HydrophobicContact CB-CB 3.75Å; P96-A157 HydrophobicContact CG-CB 4.09Å; P96-M158 HydrophobicContact CG-CB 4.48Å; P96-M158 HydrophobicContact CG-CG 3.76Å; P96-M158 HydrophobicContact CG-SD 3.42Å; P96-M158 WeakPolarHBondContact CG-SD 3.46Å
97K86.9Confident83.7Confident188 Ų18897 Ų9782%0.81746%0.46SS*.PPolyproline II helixtrans-63.8143.7175-68.8-177.9-179.21750109.4A95 Y154A95-K97 PolarHBondContact O-N 3.36Å; K97-Y154 WeakPolarHBondContact O-CD2 3.43Å; K97-Y154 WeakPolarHBondContact O-CE2 3.47Å
98K88.5Confident85.2Confident146 Ų14693.6 Ų93.664%0.63545%0.451SS*.PPolyproline II helixtrans-64.3146.6-177.4-67.7-168.9179.3-178.50109.3R91 L100R91-K98 VanDerWaalsContact NH2-N 3.11Å; K98-L100 PolarHBondContact O-N 3.02Å
99A90.9Very high86.7Confident31 Ų3187.4 Ų87.426%0.25643%0.427SS..PPolyproline II helixtrans-54.5137.7169.600000110.9E150 K151 Y154A99-E150 HydrophobicContact CB-CG 4.08Å; A99-K151 HydrophobicContact CB-CB 4.48Å; A99-Y154 HydrophobicContact CB-CD1 4.36Å; A99-Y154 HydrophobicContact CB-CG 4.18Å
100L92.4Very high88Confident70 Ų7077.8 Ų77.837%0.36639%0.392SS..PPolyproline II helixtrans-73.6136.6171.9-62.5177.3000109.3K98 F104 L105K98-L100 PolarHBondContact O-N 3.02Å; L100-F104 HydrophobicContact CB-CB 4.12Å; L100-F104 HydrophobicContact CD2-CB 4.12Å; L100-L105 HydrophobicContact CB-CD2 3.93Å; L100-L105 HydrophobicContact CB-CG 3.98Å; L100-L105 HydrophobicContact CD1-CD2 3.91Å
101S93.8Very high89.3Confident52 Ų5272.7 Ų72.736%0.36437%0.368SS..PPolyproline II helixtrans-75.2166.2172.171.60000110.9F103 F104 L105S101-F103 PolarHBondContact O-N 3.17Å; S101-F104 PolarHBondContact O-N 3.26Å; S101-F104 WeakPolarHBondContact OG-CD2 3.35Å; S101-F104 PolarHBondContact OG-N 2.83Å; S101-L105 PolarHBondContact O-N 3.38Å
102A94.6Very high90.4Very high14 Ų1470.1 Ų70.112%0.11637%0.368CS..Hα-helixtrans-52.4-43.1177.100000112.1F104 L105 F106 W134 Y143 E144 A147A102-F104 PolarHBondContact O-N 3.22Å; A102-L105 PolarHBondContact O-N 3.43Å; A102-F106 WeakPolarHBondContact O-CB 3.35Å; A102-F106 PolarHBondContact O-N 3.21Å; A102-W134 HydrophobicContact CB-CH2 3.92Å; A102-W134 HydrophobicContact CB-CZ2 4.17Å; A102-Y143 WeakPolarHBondContact CB-O 3.5Å; A102-E144 HydrophobicContact CB-CG 4.06Å; A102-A147 HydrophobicContact CB-CB 4.05Å
103F93.5Very high91.1Very high65 Ų6573 Ų7329%0.28538%0.378SS..Hα-helixtrans-61.9-42.1175.9175.3-112.8000112.9S101 F106 C107 W134S101-F103 PolarHBondContact O-N 3.17Å; F103-F106 WeakPolarHBondContact O-CB 3.38Å; F103-F106 PolarHBondContact O-N 3.43Å; F103-C107 VanDerWaalsContact CE2-SG 3.54Å; F103-C107 WeakPolarHBondContact CZ-SG 3.42Å; F103-C107 WeakPolarHBondContact O-CB 3.5Å; F103-C107 PolarHBondContact O-N 2.96Å; F103-C107 PolarHBondContact O-SG 2.94Å; F103-W134 HydrophobicContact CD2-CB 3.78Å; F103-W134 AromaticContact CD2-CD1 3.59Å; F103-W134 AromaticContact CD2-CD2 3.89Å; F103-W134 HydrophobicContact CD2-CD2 3.89Å; F103-W134 AromaticContact CD2-CG 3.46Å; F103-W134 HydrophobicContact CD2-CG 3.46Å; F103-W134 VanDerWaalsContact CD2-CG 3.46Å; F103-W134 HydrophobicContact CE2-CB 3.79Å; F103-W134 AromaticContact CE2-CG 3.98Å; F103-W134 HydrophobicContact CE2-CG 3.98Å
104F95Very high91.9Very high118 Ų11867.2 Ų67.252%0.51834%0.34SS..Hα-helixtrans-69.7-35.9179-75.4-60.7000112.6L100 S101 A102 C107 N108L100-F104 HydrophobicContact CB-CB 4.12Å; L100-F104 HydrophobicContact CD2-CB 4.12Å; S101-F104 PolarHBondContact O-N 3.26Å; S101-F104 WeakPolarHBondContact OG-CD2 3.35Å; S101-F104 PolarHBondContact OG-N 2.83Å; A102-F104 PolarHBondContact O-N 3.22Å; F104-C107 PolarHBondContact O-N 3.18Å; F104-N108 PolarHBondContact O-N 3.43Å
105L94.9Very high92.4Very high31 Ų3166.7 Ų66.716%0.16233%0.332CS..Hα-helixtrans-63.4-45.9172.9-67.3170.2000110.9L100 S101 A102 C107 N108 D109 Y143 L146 A147L100-L105 HydrophobicContact CB-CD2 3.93Å; L100-L105 HydrophobicContact CB-CG 3.98Å; L100-L105 HydrophobicContact CD1-CD2 3.91Å; S101-L105 PolarHBondContact O-N 3.38Å; A102-L105 PolarHBondContact O-N 3.43Å; L105-C107 PolarHBondContact O-N 2.68Å; L105-N108 VanDerWaalsContact O-CB 3.29Å; L105-N108 WeakPolarHBondContact O-CB 3.37Å; L105-N108 PolarHBondContact O-N 3.15Å; L105-D109 PolarHBondContact O-N 2.47Å; L105-Y143 HydrophobicContact CB-CD1 3.95Å; L105-L146 HydrophobicContact CD1-CB 3.77Å; L105-A147 HydrophobicContact CD1-CB 4.04Å
106F94.5Very high92.9Very high7 Ų770.4 Ų70.43%0.03136%0.357CS..Hα-helixtrans-57.5-46.8172.7170-97000112.4A102 F103 N108 D109 E110 L130 R133 W134 C137 Y143A102-F106 WeakPolarHBondContact O-CB 3.35Å; A102-F106 PolarHBondContact O-N 3.21Å; F103-F106 WeakPolarHBondContact O-CB 3.38Å; F103-F106 PolarHBondContact O-N 3.43Å; F106-N108 PolarHBondContact O-N 3.19Å; F106-D109 PolarHBondContact O-N 3.05Å; F106-E110 HydrophobicContact CD2-CG 3.86Å; F106-E110 HydrophobicContact CE1-CB 4.32Å; F106-E110 HydrophobicContact CE1-CG 4.21Å; F106-E110 HydrophobicContact CE2-CB 4.36Å; F106-E110 HydrophobicContact CE2-CG 3.41Å; F106-E110 VanDerWaalsContact CE2-CG 3.41Å; F106-E110 HydrophobicContact CG-CG 4.46Å; F106-E110 HydrophobicContact CZ-CB 4.14Å; F106-E110 HydrophobicContact CZ-CG 3.6Å; F106-E110 WeakPolarHBondContact O-CB 3.43Å; F106-E110 PolarHBondContact O-N 3.2Å; F106-L130 HydrophobicContact CE1-CD2 4.38Å; F106-R133 HydrophobicContact CE1-CB 4.26Å; F106-R133 HydrophobicContact CZ-CB 3.82Å; F106-W134 HydrophobicContact CB-CE3 3.66Å; F106-W134 HydrophobicContact CB-CZ3 3.64Å; F106-W134 HydrophobicContact CD1-CB 4.03Å; F106-W134 HydrophobicContact CD1-CD2 4.3Å; F106-W134 AromaticContact CD1-CE3 3.65Å; F106-W134 HydrophobicContact CD1-CE3 3.65Å; F106-W134 HydrophobicContact CD1-CG 4.49Å; F106-W134 HydrophobicContact CD1-CZ3 4.48Å; F106-W134 AromaticContact CD2-CE3 3.78Å; F106-W134 HydrophobicContact CD2-CE3 3.78Å; F106-W134 HydrophobicContact CD2-CZ3 4.07Å; F106-W134 HydrophobicContact CE1-CB 3.79Å; F106-W134 HydrophobicContact CE1-CE3 4.21Å; F106-W134 HydrophobicContact CE2-CE3 4.29Å; F106-W134 HydrophobicContact CG-CD2 4.43Å; F106-W134 AromaticContact CG-CE3 3.4Å; F106-W134 HydrophobicContact CG-CE3 3.4Å; F106-W134 VanDerWaalsContact CG-CE3 3.4Å; F106-W134 AromaticContact CG-CZ3 3.82Å; F106-W134 HydrophobicContact CG-CZ3 3.82Å; F106-W134 HydrophobicContact CZ-CB 4.45Å; F106-W134 HydrophobicContact CZ-CE3 4.49Å; F106-C137 HydrophobicContact CE2-CB 4.12Å; F106-Y143 HydrophobicContact CB-CD1 4.11Å; F106-Y143 HydrophobicContact CB-CD2 4.18Å; F106-Y143 HydrophobicContact CB-CE1 4.16Å; F106-Y143 HydrophobicContact CB-CE2 4.24Å; F106-Y143 HydrophobicContact CB-CG 4.12Å; F106-Y143 HydrophobicContact CD2-CD2 4.16Å; F106-Y143 AromaticContact CD2-CE2 3.67Å; F106-Y143 HydrophobicContact CD2-CE2 3.67Å; F106-Y143 AromaticContact CD2-CZ 4Å; F106-Y143 HydrophobicContact CG-CE2 4.46Å
107C94.3Very high93.2Very high18 Ų1874.5 Ų74.512%0.12237%0.374CS..Hα-helixtrans-58.4-35.4175.5-72.10000111.5F103 F104 L105 D109 R111 L130F103-C107 VanDerWaalsContact CE2-SG 3.54Å; F103-C107 WeakPolarHBondContact CZ-SG 3.42Å; F103-C107 WeakPolarHBondContact O-CB 3.5Å; F103-C107 PolarHBondContact O-N 2.96Å; F103-C107 PolarHBondContact O-SG 2.94Å; F104-C107 PolarHBondContact O-N 3.18Å; L105-C107 PolarHBondContact O-N 2.68Å; C107-D109 VanDerWaalsContact C-N 3.33Å; C107-D109 PolarHBondContact O-N 2.94Å; C107-R111 WeakPolarHBondContact O-CA 3.44Å; C107-R111 WeakPolarHBondContact O-CB 3.36Å; C107-R111 PolarHBondContact O-N 3.42Å; C107-L130 HydrophobicContact CB-CD1 4.36Å
108N94.2Very high93.5Very high115 Ų11567.6 Ų67.662%0.61535%0.346SS*.Hα-helixtrans-65.6-38.1-179.4-144.145.9000112F104 L105 F106 P112F104-N108 PolarHBondContact O-N 3.43Å; L105-N108 VanDerWaalsContact O-CB 3.29Å; L105-N108 WeakPolarHBondContact O-CB 3.37Å; L105-N108 PolarHBondContact O-N 3.15Å; F106-N108 PolarHBondContact O-N 3.19Å; N108-P112 WeakPolarHBondContact O-CD 3.45Å
109D93Very high93.6Very high75 Ų7564.7 Ų64.740%0.40134%0.342SS..Hα-helixtrans-80.3-41179.6-67.8-9.6000112.9L105 F106 C107 P112 Y143L105-D109 PolarHBondContact O-N 2.47Å; F106-D109 PolarHBondContact O-N 3.05Å; C107-D109 VanDerWaalsContact C-N 3.33Å; C107-D109 PolarHBondContact O-N 2.94Å; D109-P112 WeakPolarHBondContact O-CD 3.42Å; D109-P112 WeakPolarHBondContact O-CG 3.43Å; D109-Y143 VanDerWaalsContact OD2-CE1 3.31Å; D109-Y143 WeakPolarHBondContact OD2-CE1 3.34Å; D109-Y143 PolarHBondContact OD2-OH 3.24Å
110E92.8Very high93.8Very high32 Ų3270.4 Ų70.415%0.1537%0.369CS..Hα-helixtrans-89.4-27.3-172.7-71.8-63.5132.300113.3F106 K113 V114 L130F106-E110 HydrophobicContact CD2-CG 3.86Å; F106-E110 HydrophobicContact CE1-CB 4.32Å; F106-E110 HydrophobicContact CE1-CG 4.21Å; F106-E110 HydrophobicContact CE2-CB 4.36Å; F106-E110 HydrophobicContact CE2-CG 3.41Å; F106-E110 VanDerWaalsContact CE2-CG 3.41Å; F106-E110 HydrophobicContact CG-CG 4.46Å; F106-E110 HydrophobicContact CZ-CB 4.14Å; F106-E110 HydrophobicContact CZ-CG 3.6Å; F106-E110 WeakPolarHBondContact O-CB 3.43Å; F106-E110 PolarHBondContact O-N 3.2Å; E110-K113 WeakPolarHBondContact O-CA 3.44Å; E110-K113 WeakPolarHBondContact O-CB 3.28Å; E110-K113 PolarHBondContact O-N 3.12Å; E110-K113 IonicContact OE1-NZ 3.56Å; E110-K113 PolarHBondContact OE1-NZ 3Å; E110-V114 WeakPolarHBondContact O-CG2 3.44Å; E110-V114 PolarHBondContact O-N 3.33Å; E110-L130 HydrophobicContact CB-CD2 3.53Å
111R93.3Very high93.8Very high102 Ų10272 Ų7239%0.38537%0.37SS..Hα-helixtrans-54-45.1178-177.4173.9-173.6-86.40113.9C107 K113 K115 I126 L130C107-R111 WeakPolarHBondContact O-CA 3.44Å; C107-R111 WeakPolarHBondContact O-CB 3.36Å; C107-R111 PolarHBondContact O-N 3.42Å; R111-K113 VanDerWaalsContact C-N 3.28Å; R111-K113 PolarHBondContact O-N 3.29Å; R111-K115 VanDerWaalsContact O-CB 3.25Å; R111-K115 WeakPolarHBondContact O-CB 3.3Å; R111-K115 PolarHBondContact O-N 3.14Å; R111-I126 HydrophobicContact CG-CG2 4.06Å; R111-L130 HydrophobicContact CB-CD1 3.8Å; R111-L130 HydrophobicContact CG-CD1 4.15Å
112P94.7Very high93.9Very high77 Ų7777.2 Ų77.250%0.539%0.386SS..Hα-helixtrans-64.3-32.4176.124.6-34000112.6N108 D109 S116N108-P112 WeakPolarHBondContact O-CD 3.45Å; D109-P112 WeakPolarHBondContact O-CD 3.42Å; D109-P112 WeakPolarHBondContact O-CG 3.43Å; P112-S116 VanDerWaalsContact O-CB 3.31Å; P112-S116 WeakPolarHBondContact O-CB 3.32Å; P112-S116 PolarHBondContact O-N 3.41Å
113K93.9Very high93.8Very high106 Ų10681 Ų8146%0.46141%0.407SS..Hα-helixtrans-67.5-50.9176.4-57.7179.9-171.4169.60111.2E110 R111 K115 S116 E117E110-K113 WeakPolarHBondContact O-CA 3.44Å; E110-K113 WeakPolarHBondContact O-CB 3.28Å; E110-K113 PolarHBondContact O-N 3.12Å; E110-K113 IonicContact OE1-NZ 3.56Å; E110-K113 PolarHBondContact OE1-NZ 3Å; R111-K113 VanDerWaalsContact C-N 3.28Å; R111-K113 PolarHBondContact O-N 3.29Å; K113-K115 VanDerWaalsContact C-N 3.27Å; K113-K115 PolarHBondContact O-N 3.48Å; K113-S116 WeakPolarHBondContact O-CB 3.36Å; K113-S116 PolarHBondContact O-N 3.22Å; K113-E117 WeakPolarHBondContact O-CG 3.46Å; K113-E117 PolarHBondContact O-N 2.94Å
114V94.2Very high93.8Very high0 Ų080.7 Ų80.70%041%0.414CS..Hα-helixtrans-58.4-41.8176.1-179.70000111E110 S116 E117 N118 W121 I126 E129 L130E110-V114 WeakPolarHBondContact O-CG2 3.44Å; E110-V114 PolarHBondContact O-N 3.33Å; V114-S116 VanDerWaalsContact C-N 3.35Å; V114-E117 PolarHBondContact O-N 3.17Å; V114-N118 PolarHBondContact O-N 3.43Å; V114-W121 HydrophobicContact CG1-CE3 4.39Å; V114-W121 HydrophobicContact CG1-CZ3 4.33Å; V114-I126 HydrophobicContact CB-CG2 4.2Å; V114-I126 HydrophobicContact CG1-CB 4.38Å; V114-I126 HydrophobicContact CG1-CG1 4.35Å; V114-I126 HydrophobicContact CG1-CG2 3.9Å; V114-E129 HydrophobicContact CG1-CB 4.15Å; V114-E129 HydrophobicContact CG1-CG 3.86Å; V114-E129 HydrophobicContact CG2-CG 4.34Å; V114-L130 HydrophobicContact CG2-CD2 3.76Å; V114-L130 HydrophobicContact CG2-CG 4.24Å
115K94Very high93.9Very high109 Ų10978.7 Ų78.747%0.47441%0.406SS..Hα-helixtrans-67.3-34.4176.7-171.8-179.9177.3-169.10112.3R111 K113 N118 P119 I126R111-K115 VanDerWaalsContact O-CB 3.25Å; R111-K115 WeakPolarHBondContact O-CB 3.3Å; R111-K115 PolarHBondContact O-N 3.14Å; K113-K115 VanDerWaalsContact C-N 3.27Å; K113-K115 PolarHBondContact O-N 3.48Å; K115-N118 CarbonylContact O-C 3.55Å; K115-P119 WeakPolarHBondContact O-CA 3.37Å; K115-I126 HydrophobicContact CB-CD1 4.09Å; K115-I126 HydrophobicContact CG-CD1 4.12Å
116S93.9Very high93.9Very high99 Ų9977.4 Ų77.469%0.69240%0.399SS*.Hα-helixtrans-72.3-37.1176.6-1710000112.1P112 K113 V114 N118P112-S116 VanDerWaalsContact O-CB 3.31Å; P112-S116 WeakPolarHBondContact O-CB 3.32Å; P112-S116 PolarHBondContact O-N 3.41Å; K113-S116 WeakPolarHBondContact O-CB 3.36Å; K113-S116 PolarHBondContact O-N 3.22Å; V114-S116 VanDerWaalsContact C-N 3.35Å; S116-N118 VanDerWaalsContact C-N 3.32Å
117E94.1Very high93.9Very high110 Ų11079.8 Ų79.851%0.51442%0.42SS..Hα-helixtrans-68-34.9173.6-68.2167-146.400111.1K113 V114 R133K113-E117 WeakPolarHBondContact O-CG 3.46Å; K113-E117 PolarHBondContact O-N 2.94Å; V114-E117 PolarHBondContact O-N 3.17Å; E117-R133 IonicContact OE1-CZ 2.83Å; E117-R133 IonicContact OE1-NH1 3.28Å; E117-R133 PolarHBondContact OE1-NH1 3.08Å; E117-R133 VanDerWaalsContact OE1-NH1 3.16Å; E117-R133 IonicContact OE1-NH2 3.3Å; E117-R133 IonicContact OE2-CZ 3.52Å; E117-R133 IonicContact OE2-NH1 2.92Å; E117-R133 IonicContact OE2-NH2 2.96Å; E117-R133 PolarHBondContact OE2-NH2 3.3Å
118N92.6Very high93.9Very high42 Ų4284.6 Ų84.623%0.22544%0.439CS..  trans-135.675.5-176.9-59.2-84.3000111.6V114 K115 S116 D120 W121V114-N118 PolarHBondContact O-N 3.43Å; K115-N118 CarbonylContact O-C 3.55Å; S116-N118 VanDerWaalsContact C-N 3.32Å; N118-D120 PolarHBondContact O-N 3.32Å; N118-W121 HydrophobicContact CB-CB 4.11Å; N118-W121 HydrophobicContact CB-CD2 3.35Å; N118-W121 HydrophobicContact CB-CE3 3.71Å; N118-W121 HydrophobicContact CB-CG 3.54Å; N118-W121 HydrophobicContact CB-CH2 4.47Å; N118-W121 HydrophobicContact CB-CZ2 4.18Å; N118-W121 HydrophobicContact CB-CZ3 4.25Å; N118-W121 VanDerWaalsContact CG-CE2 3.48Å; N118-W121 PolarHBondContact O-N 3.12Å; N118-W121 VanDerWaalsContact OD1-CZ2 3.31Å; N118-W121 WeakPolarHBondContact OD1-CZ2 3.4Å
119P91.8Very high93.9Very high85 Ų8581.3 Ų81.355%0.55242%0.419SS*.THydrogen-bonded Turntrans-67-25.1-176.725.6-34000113.5K115 W121K115-P119 WeakPolarHBondContact O-CA 3.37Å; P119-W121 VanDerWaalsContact C-N 3.31Å
120D94.1Very high94Very high152 Ų15278 Ų7881%0.81340%0.402SS*.THydrogen-bonded Turntrans-80-11.3179.6-57.8-51.8000113.4N118N118-D120 PolarHBondContact O-N 3.32Å
121W93.6Very high94.1Very high104 Ų10477.7 Ų77.739%0.39441%0.407SS..  trans-73.1136-177.8-76.310.7000112.3V114 N118 P119 E125 I126 E129V114-W121 HydrophobicContact CG1-CE3 4.39Å; V114-W121 HydrophobicContact CG1-CZ3 4.33Å; N118-W121 HydrophobicContact CB-CB 4.11Å; N118-W121 HydrophobicContact CB-CD2 3.35Å; N118-W121 HydrophobicContact CB-CE3 3.71Å; N118-W121 HydrophobicContact CB-CG 3.54Å; N118-W121 HydrophobicContact CB-CH2 4.47Å; N118-W121 HydrophobicContact CB-CZ2 4.18Å; N118-W121 HydrophobicContact CB-CZ3 4.25Å; N118-W121 VanDerWaalsContact CG-CE2 3.48Å; N118-W121 PolarHBondContact O-N 3.12Å; N118-W121 VanDerWaalsContact OD1-CZ2 3.31Å; N118-W121 WeakPolarHBondContact OD1-CZ2 3.4Å; P119-W121 VanDerWaalsContact C-N 3.31Å; W121-E125 HydrophobicContact CB-CB 4.26Å; W121-E125 HydrophobicContact CD2-CB 4.35Å; W121-E125 HydrophobicContact CE3-CB 4.37Å; W121-E125 HydrophobicContact CG-CB 4.34Å; W121-I126 HydrophobicContact CB-CD1 4.39Å; W121-I126 HydrophobicContact CB-CG1 3.86Å; W121-I126 HydrophobicContact CE3-CG1 4.48Å; W121-E129 HydrophobicContact CZ3-CB 3.9Å; W121-E129 HydrophobicContact CZ3-CG 4Å
122K94.2Very high94.2Very high161 Ų16178.6 Ų78.670%0.741%0.414SS*.  trans-66154.3171.1-65.5179.8-178.6172.90110S124 E125 I126K122-S124 PolarHBondContact O-N 3.04Å; K122-E125 PolarHBondContact O-N 3.43Å; K122-I126 PolarHBondContact O-N 3.24Å; K122-I126 VanDerWaalsContact O-N 3.08Å
123V93.4Very high94.1Very high92 Ų9277.8 Ų77.856%0.55840%0.401SS*.Hα-helixtrans-53.6-32177.1-179.30000112.2A127V123-A127 VanDerWaalsContact O-CB 3.3Å; V123-A127 WeakPolarHBondContact O-CB 3.27Å; V123-A127 PolarHBondContact O-N 3.11Å
124S94.4Very high94.2Very high60 Ų6075 Ų7542%0.4239%0.387SS..Hα-helixtrans-62.8-43.3174.756.20000113.2K122 A127 K128K122-S124 PolarHBondContact O-N 3.04Å; S124-A127 PolarHBondContact O-N 3.24Å; S124-K128 WeakPolarHBondContact O-CG 3.42Å; S124-K128 PolarHBondContact O-N 3.34Å; S124-K128 VanDerWaalsContact O-N 3.14Å
125E95.5Very high94.1Very high76 Ų7681.3 Ų81.336%0.35542%0.417SS..Hα-helixtrans-73.6-40.9-179.2-56.5-45.2124.200110.8W121 K122 A127 K128 E129W121-E125 HydrophobicContact CB-CB 4.26Å; W121-E125 HydrophobicContact CD2-CB 4.35Å; W121-E125 HydrophobicContact CE3-CB 4.37Å; W121-E125 HydrophobicContact CG-CB 4.34Å; K122-E125 PolarHBondContact O-N 3.43Å; E125-A127 VanDerWaalsContact C-N 3.28Å; E125-A127 PolarHBondContact O-N 3.47Å; E125-K128 VanDerWaalsContact CD-NZ 3.29Å; E125-K128 PolarHBondContact O-N 3.02Å; E125-K128 IonicContact OE1-NZ 2.69Å; E125-K128 PolarHBondContact OE1-NZ 3.07Å; E125-K128 WeakPolarHBondContact OE2-CD 3.47Å; E125-K128 IonicContact OE2-NZ 3.55Å; E125-K128 PolarHBondContact OE2-NZ 3.32Å; E125-E129 PolarHBondContact O-N 3.41Å
126I95.3Very high94Very high4 Ų483.1 Ų83.12%0.02143%0.427CS..Hα-helixtrans-58.1-42.8172.8-62.7171.7000110.6R111 V114 K115 W121 K122 E129 L130R111-I126 HydrophobicContact CG-CG2 4.06Å; V114-I126 HydrophobicContact CB-CG2 4.2Å; V114-I126 HydrophobicContact CG1-CB 4.38Å; V114-I126 HydrophobicContact CG1-CG1 4.35Å; V114-I126 HydrophobicContact CG1-CG2 3.9Å; K115-I126 HydrophobicContact CB-CD1 4.09Å; K115-I126 HydrophobicContact CG-CD1 4.12Å; W121-I126 HydrophobicContact CB-CD1 4.39Å; W121-I126 HydrophobicContact CB-CG1 3.86Å; W121-I126 HydrophobicContact CE3-CG1 4.48Å; K122-I126 PolarHBondContact O-N 3.24Å; K122-I126 VanDerWaalsContact O-N 3.08Å; I126-E129 PolarHBondContact O-N 3.01Å; I126-L130 HydrophobicContact CG2-CD1 3.94Å; I126-L130 HydrophobicContact CG2-CG 4.39Å; I126-L130 VanDerWaalsContact O-CG 3.29Å; I126-L130 WeakPolarHBondContact O-CG 3.3Å; I126-L130 PolarHBondContact O-N 3.22Å
127A94.4Very high93.7Very high56 Ų5679.3 Ų79.346%0.46340%0.4SS..Hα-helixtrans-64.9-39.5178.500000112.6V123 S124 E125 L130 G131V123-A127 VanDerWaalsContact O-CB 3.3Å; V123-A127 WeakPolarHBondContact O-CB 3.27Å; V123-A127 PolarHBondContact O-N 3.11Å; S124-A127 PolarHBondContact O-N 3.24Å; E125-A127 VanDerWaalsContact C-N 3.28Å; E125-A127 PolarHBondContact O-N 3.47Å; A127-L130 PolarHBondContact O-N 2.82Å; A127-G131 PolarHBondContact O-N 3.19Å; A127-G131 VanDerWaalsContact O-N 3.07Å
128K95.4Very high93.4Very high120 Ų12083.7 Ų83.752%0.52242%0.417SS..Hα-helixtrans-62.4-44.1174.3-70170.9-169.6164.90111.3S124 E125 G131 K132S124-K128 WeakPolarHBondContact O-CG 3.42Å; S124-K128 PolarHBondContact O-N 3.34Å; S124-K128 VanDerWaalsContact O-N 3.14Å; E125-K128 VanDerWaalsContact CD-NZ 3.29Å; E125-K128 PolarHBondContact O-N 3.02Å; E125-K128 IonicContact OE1-NZ 2.69Å; E125-K128 PolarHBondContact OE1-NZ 3.07Å; E125-K128 WeakPolarHBondContact OE2-CD 3.47Å; E125-K128 IonicContact OE2-NZ 3.55Å; E125-K128 PolarHBondContact OE2-NZ 3.32Å; K128-G131 PolarHBondContact O-N 2.96Å; K128-K132 PolarHBondContact O-N 3.44Å
129E94.4Very high93.2Very high45 Ų4586.5 Ų86.521%0.2143%0.432CS..Hα-helixtrans-64.6-43178.4179.757.1-158.700112V114 W121 E125 I126 G131 K132 R133V114-E129 HydrophobicContact CG1-CB 4.15Å; V114-E129 HydrophobicContact CG1-CG 3.86Å; V114-E129 HydrophobicContact CG2-CG 4.34Å; W121-E129 HydrophobicContact CZ3-CB 3.9Å; W121-E129 HydrophobicContact CZ3-CG 4Å; E125-E129 PolarHBondContact O-N 3.41Å; I126-E129 PolarHBondContact O-N 3.01Å; E129-G131 VanDerWaalsContact C-N 3.27Å; E129-G131 PolarHBondContact O-N 3.47Å; E129-K132 PolarHBondContact O-N 2.77Å; E129-R133 WeakPolarHBondContact O-CG 3.32Å; E129-R133 PolarHBondContact O-N 3.24Å; E129-R133 IonicContact OE1-CZ 3.6Å; E129-R133 IonicContact OE1-NE 3.71Å; E129-R133 PolarHBondContact OE1-NE 2.99Å; E129-R133 IonicContact OE1-NH2 3.11Å
130L95Very high93.1Very high6 Ų685.9 Ų85.93%0.03142%0.421CS..Hα-helixtrans-60.1-37.3174.3-72.5168.1000112.4F106 C107 E110 R111 V114 I126 A127 R133 W134F106-L130 HydrophobicContact CE1-CD2 4.38Å; C107-L130 HydrophobicContact CB-CD1 4.36Å; E110-L130 HydrophobicContact CB-CD2 3.53Å; R111-L130 HydrophobicContact CB-CD1 3.8Å; R111-L130 HydrophobicContact CG-CD1 4.15Å; V114-L130 HydrophobicContact CG2-CD2 3.76Å; V114-L130 HydrophobicContact CG2-CG 4.24Å; I126-L130 HydrophobicContact CG2-CD1 3.94Å; I126-L130 HydrophobicContact CG2-CG 4.39Å; I126-L130 VanDerWaalsContact O-CG 3.29Å; I126-L130 WeakPolarHBondContact O-CG 3.3Å; I126-L130 PolarHBondContact O-N 3.22Å; A127-L130 PolarHBondContact O-N 2.82Å; L130-R133 PolarHBondContact O-N 3.29Å; L130-W134 WeakPolarHBondContact O-CB 3.3Å; L130-W134 PolarHBondContact O-N 3.17Å
131G94.9Very high93.1Very high25 Ų2581.6 Ų81.626%0.25841%0.407SS..Hα-helixtrans-58.5-49.5173.100000112.1A127 K128 E129 R133 W134 E135A127-G131 PolarHBondContact O-N 3.19Å; A127-G131 VanDerWaalsContact O-N 3.07Å; K128-G131 PolarHBondContact O-N 2.96Å; E129-G131 VanDerWaalsContact C-N 3.27Å; E129-G131 PolarHBondContact O-N 3.47Å; G131-R133 PolarHBondContact O-N 3.47Å; G131-W134 WeakPolarHBondContact O-CB 3.33Å; G131-W134 PolarHBondContact O-N 3.38Å; G131-E135 PolarHBondContact O-N 2.67Å; G131-E135 VanDerWaalsContact O-N 3.1Å
132K94.8Very high93.1Very high122 Ų12282.5 Ų82.553%0.5341%0.414SS..Hα-helixtrans-61.8-43.5177.1-65.1177.1-178.5178.60112.3K128 E129 W134 E135 H136K128-K132 PolarHBondContact O-N 3.44Å; E129-K132 PolarHBondContact O-N 2.77Å; K132-W134 VanDerWaalsContact C-N 3.29Å; K132-W134 PolarHBondContact O-N 2.97Å; K132-E135 PolarHBondContact O-N 2.93Å; K132-H136 PolarHBondContact O-N 3.29Å; K132-H136 PolarHBondContact O-ND1 3.37Å
133R92.8Very high93.1Very high59 Ų5975.5 Ų75.522%0.22338%0.383CS..Hα-helixtrans-64.5-34.6176.5-67.7-174.1-174.6-159.20.3111.9F106 E117 E129 L130 G131 H136 C137F106-R133 HydrophobicContact CE1-CB 4.26Å; F106-R133 HydrophobicContact CZ-CB 3.82Å; E117-R133 IonicContact OE1-CZ 2.83Å; E117-R133 IonicContact OE1-NH1 3.28Å; E117-R133 PolarHBondContact OE1-NH1 3.08Å; E117-R133 VanDerWaalsContact OE1-NH1 3.16Å; E117-R133 IonicContact OE1-NH2 3.3Å; E117-R133 IonicContact OE2-CZ 3.52Å; E117-R133 IonicContact OE2-NH1 2.92Å; E117-R133 IonicContact OE2-NH2 2.96Å; E117-R133 PolarHBondContact OE2-NH2 3.3Å; E129-R133 WeakPolarHBondContact O-CG 3.32Å; E129-R133 PolarHBondContact O-N 3.24Å; E129-R133 IonicContact OE1-CZ 3.6Å; E129-R133 IonicContact OE1-NE 3.71Å; E129-R133 PolarHBondContact OE1-NE 2.99Å; E129-R133 IonicContact OE1-NH2 3.11Å; L130-R133 PolarHBondContact O-N 3.29Å; G131-R133 PolarHBondContact O-N 3.47Å; R133-H136 CarbonylContact O-C 3.14Å; R133-H136 PolarHBondContact O-N 2.66Å; R133-C137 WeakPolarHBondContact O-CA 3.41Å; R133-C137 WeakPolarHBondContact O-CB 3.42Å; R133-C137 PolarHBondContact O-N 2.92Å
134W94.4Very high93.1Very high47 Ų4776.5 Ų76.518%0.17838%0.381CS..Hα-helixtrans-66.1-42175.7178.2-114.5000112.1A102 F103 F106 L130 G131 K132 H136 C137 K140 Y143A102-W134 HydrophobicContact CB-CH2 3.92Å; A102-W134 HydrophobicContact CB-CZ2 4.17Å; F103-W134 HydrophobicContact CD2-CB 3.78Å; F103-W134 AromaticContact CD2-CD1 3.59Å; F103-W134 AromaticContact CD2-CD2 3.89Å; F103-W134 HydrophobicContact CD2-CD2 3.89Å; F103-W134 AromaticContact CD2-CG 3.46Å; F103-W134 HydrophobicContact CD2-CG 3.46Å; F103-W134 VanDerWaalsContact CD2-CG 3.46Å; F103-W134 HydrophobicContact CE2-CB 3.79Å; F103-W134 AromaticContact CE2-CG 3.98Å; F103-W134 HydrophobicContact CE2-CG 3.98Å; F106-W134 HydrophobicContact CB-CE3 3.66Å; F106-W134 HydrophobicContact CB-CZ3 3.64Å; F106-W134 HydrophobicContact CD1-CB 4.03Å; F106-W134 HydrophobicContact CD1-CD2 4.3Å; F106-W134 AromaticContact CD1-CE3 3.65Å; F106-W134 HydrophobicContact CD1-CE3 3.65Å; F106-W134 HydrophobicContact CD1-CG 4.49Å; F106-W134 HydrophobicContact CD1-CZ3 4.48Å; F106-W134 AromaticContact CD2-CE3 3.78Å; F106-W134 HydrophobicContact CD2-CE3 3.78Å; F106-W134 HydrophobicContact CD2-CZ3 4.07Å; F106-W134 HydrophobicContact CE1-CB 3.79Å; F106-W134 HydrophobicContact CE1-CE3 4.21Å; F106-W134 HydrophobicContact CE2-CE3 4.29Å; F106-W134 HydrophobicContact CG-CD2 4.43Å; F106-W134 AromaticContact CG-CE3 3.4Å; F106-W134 HydrophobicContact CG-CE3 3.4Å; F106-W134 VanDerWaalsContact CG-CE3 3.4Å; F106-W134 AromaticContact CG-CZ3 3.82Å; F106-W134 HydrophobicContact CG-CZ3 3.82Å; F106-W134 HydrophobicContact CZ-CB 4.45Å; F106-W134 HydrophobicContact CZ-CE3 4.49Å; L130-W134 WeakPolarHBondContact O-CB 3.3Å; L130-W134 PolarHBondContact O-N 3.17Å; G131-W134 WeakPolarHBondContact O-CB 3.33Å; G131-W134 PolarHBondContact O-N 3.38Å; K132-W134 VanDerWaalsContact C-N 3.29Å; K132-W134 PolarHBondContact O-N 2.97Å; W134-H136 PolarHBondContact O-N 3.14Å; W134-C137 HydrophobicContact CE3-CB 3.99Å; W134-C137 HydrophobicContact CZ3-CB 4.42Å; W134-C137 VanDerWaalsContact O-CB 3.29Å; W134-C137 WeakPolarHBondContact O-CB 2.91Å; W134-C137 PolarHBondContact O-N 3.38Å; W134-C137 VanDerWaalsContact O-N 3.09Å; W134-K140 HydrophobicContact CE3-CG 4.47Å; W134-K140 HydrophobicContact CH2-CB 4.23Å; W134-K140 HydrophobicContact CH2-CG 3.82Å; W134-K140 HydrophobicContact CZ2-CG 4.05Å; W134-K140 HydrophobicContact CZ3-CG 4.04Å; W134-K140 WeakPolarHBondContact O-CE 3.38Å; W134-Y143 AromaticContact CZ3-CD2 3.96Å; W134-Y143 HydrophobicContact CZ3-CD2 3.96Å; W134-Y143 HydrophobicContact CZ3-CG 4.25Å
135E93Very high93.2Very high133 Ų13376.9 Ų76.962%0.62138%0.384SS*.Hα-helixtrans-56.3-40.9176.3-70.9-179.1146.800111.8G131 K132 K140G131-E135 PolarHBondContact O-N 2.67Å; G131-E135 VanDerWaalsContact O-N 3.1Å; K132-E135 PolarHBondContact O-N 2.93Å; E135-K140 PolarHBondContact O-NZ 3.18Å
136H91.5Very high93.1Very high147 Ų14777.1 Ų77.168%0.68139%0.388SS*.THydrogen-bonded Turntrans-91.92.5179.7-59.483.9000114.1K132 R133 W134 K138K132-H136 PolarHBondContact O-N 3.29Å; K132-H136 PolarHBondContact O-ND1 3.37Å; R133-H136 CarbonylContact O-C 3.14Å; R133-H136 PolarHBondContact O-N 2.66Å; W134-H136 PolarHBondContact O-N 3.14Å; H136-K138 PolarHBondContact O-N 2.96Å
137C87.5Confident93.1Very high20 Ų2077.8 Ų77.814%0.13539%0.393CS..  trans-66.1118.8-177.5-173.40000109.9F106 R133 W134 N139 K140F106-C137 HydrophobicContact CE2-CB 4.12Å; R133-C137 WeakPolarHBondContact O-CA 3.41Å; R133-C137 WeakPolarHBondContact O-CB 3.42Å; R133-C137 PolarHBondContact O-N 2.92Å; W134-C137 HydrophobicContact CE3-CB 3.99Å; W134-C137 HydrophobicContact CZ3-CB 4.42Å; W134-C137 VanDerWaalsContact O-CB 3.29Å; W134-C137 WeakPolarHBondContact O-CB 2.91Å; W134-C137 PolarHBondContact O-N 3.38Å; W134-C137 VanDerWaalsContact O-N 3.09Å; C137-N139 VanDerWaalsContact C-N 3.3Å; C137-K140 HydrophobicContact CB-CG 4.16Å; C137-K140 WeakPolarHBondContact O-CE 3.29Å; C137-K140 WeakPolarHBondContact O-CG 3.17Å
138K87.3Confident93.1Very high202 Ų20280.8 Ų80.888%0.87840%0.398SS*.THydrogen-bonded Turntrans-74.8-23174.8-62.8-177.1-179.1179.80112.6H136 K140H136-K138 PolarHBondContact O-N 2.96Å; K138-K140 VanDerWaalsContact C-N 3.32Å; K138-K140 PolarHBondContact O-N 3.41Å
139N88.7Confident93.1Very high101 Ų10179.3 Ų79.354%0.5440%0.399SS..THydrogen-bonded Turntrans-93.824.6-174.5-62.2-21.7000113C137 A141 K142 Y143C137-N139 VanDerWaalsContact C-N 3.3Å; N139-A141 VanDerWaalsContact C-N 3.29Å; N139-A141 PolarHBondContact O-N 3.46Å; N139-K142 WeakPolarHBondContact O-CB 3.4Å; N139-K142 PolarHBondContact O-N 2.89Å; N139-K142 VanDerWaalsContact O-N 3.14Å; N139-Y143 HydrophobicContact CB-CE2 4.4Å; N139-Y143 VanDerWaalsContact O-CD2 3.32Å; N139-Y143 WeakPolarHBondContact O-CD2 3.48Å; N139-Y143 PolarHBondContact O-N 2.92Å
140K90.5Very high93.1Very high71 Ų7179.3 Ų79.331%0.30940%0.399SS..Hα-helixtrans-53.3-45.2-179.4-77172.9-174177.20112.3W134 E135 C137 K138 K142 Y143 E144W134-K140 HydrophobicContact CE3-CG 4.47Å; W134-K140 HydrophobicContact CH2-CB 4.23Å; W134-K140 HydrophobicContact CH2-CG 3.82Å; W134-K140 HydrophobicContact CZ2-CG 4.05Å; W134-K140 HydrophobicContact CZ3-CG 4.04Å; W134-K140 WeakPolarHBondContact O-CE 3.38Å; E135-K140 PolarHBondContact O-NZ 3.18Å; C137-K140 HydrophobicContact CB-CG 4.16Å; C137-K140 WeakPolarHBondContact O-CE 3.29Å; C137-K140 WeakPolarHBondContact O-CG 3.17Å; K138-K140 VanDerWaalsContact C-N 3.32Å; K138-K140 PolarHBondContact O-N 3.41Å; K140-K142 VanDerWaalsContact C-N 3.3Å; K140-K142 PolarHBondContact O-N 3.28Å; K140-Y143 PolarHBondContact O-N 3.33Å; K140-E144 WeakPolarHBondContact O-CG 3.32Å; K140-E144 PolarHBondContact O-N 2.98Å
141A93.4Very high93.1Very high63 Ų6385.6 Ų85.652%0.52143%0.426SS..Hα-helixtrans-56.2-40.1179.300000113.2N139 Y143 E144 S145N139-A141 VanDerWaalsContact C-N 3.29Å; N139-A141 PolarHBondContact O-N 3.46Å; A141-Y143 PolarHBondContact O-N 3.47Å; A141-E144 PolarHBondContact O-N 2.94Å; A141-S145 PolarHBondContact O-N 3.48Å; A141-S145 PolarHBondContact O-OG 3.44Å
142K93.9Very high93.1Very high123 Ų12389 Ų8954%0.53544%0.435SS..Hα-helixtrans-59.2-46.9175.7175.9-174.7173.9-1730111.1N139 K140 S145 L146N139-K142 WeakPolarHBondContact O-CB 3.4Å; N139-K142 PolarHBondContact O-N 2.89Å; N139-K142 VanDerWaalsContact O-N 3.14Å; K140-K142 VanDerWaalsContact C-N 3.3Å; K140-K142 PolarHBondContact O-N 3.28Å; K142-S145 PolarHBondContact O-N 2.81Å; K142-L146 HydrophobicContact CG-CD1 4.33Å; K142-L146 WeakPolarHBondContact O-CG 3.29Å; K142-L146 PolarHBondContact O-N 3.48Å; K142-L146 VanDerWaalsContact O-N 3.07Å
143Y94.3Very high93Very high13 Ų1391 Ų915%0.05144%0.439CS..Hα-helixtrans-71.5-31.1-179.7-70.2-70.8000112.6A102 L105 F106 D109 W134 N139 K140 A141 L146 A147A102-Y143 WeakPolarHBondContact CB-O 3.5Å; L105-Y143 HydrophobicContact CB-CD1 3.95Å; F106-Y143 HydrophobicContact CB-CD1 4.11Å; F106-Y143 HydrophobicContact CB-CD2 4.18Å; F106-Y143 HydrophobicContact CB-CE1 4.16Å; F106-Y143 HydrophobicContact CB-CE2 4.24Å; F106-Y143 HydrophobicContact CB-CG 4.12Å; F106-Y143 HydrophobicContact CD2-CD2 4.16Å; F106-Y143 AromaticContact CD2-CE2 3.67Å; F106-Y143 HydrophobicContact CD2-CE2 3.67Å; F106-Y143 AromaticContact CD2-CZ 4Å; F106-Y143 HydrophobicContact CG-CE2 4.46Å; D109-Y143 VanDerWaalsContact OD2-CE1 3.31Å; D109-Y143 WeakPolarHBondContact OD2-CE1 3.34Å; D109-Y143 PolarHBondContact OD2-OH 3.24Å; W134-Y143 AromaticContact CZ3-CD2 3.96Å; W134-Y143 HydrophobicContact CZ3-CD2 3.96Å; W134-Y143 HydrophobicContact CZ3-CG 4.25Å; N139-Y143 HydrophobicContact CB-CE2 4.4Å; N139-Y143 VanDerWaalsContact O-CD2 3.32Å; N139-Y143 WeakPolarHBondContact O-CD2 3.48Å; N139-Y143 PolarHBondContact O-N 2.92Å; K140-Y143 PolarHBondContact O-N 3.33Å; A141-Y143 PolarHBondContact O-N 3.47Å; Y143-L146 HydrophobicContact CD1-CD1 4.39Å; Y143-L146 PolarHBondContact O-N 3.32Å; Y143-A147 VanDerWaalsContact O-CB 3.26Å; Y143-A147 WeakPolarHBondContact O-CB 3.42Å; Y143-A147 PolarHBondContact O-N 3.38Å
144E94.2Very high93.1Very high113 Ų11390.9 Ų90.953%0.52844%0.439SS..Hα-helixtrans-65.1-45.2172.2-72.6171.7178.800111.8A102 K140 A141 L146 A147 Q148A102-E144 HydrophobicContact CB-CG 4.06Å; K140-E144 WeakPolarHBondContact O-CG 3.32Å; K140-E144 PolarHBondContact O-N 2.98Å; A141-E144 PolarHBondContact O-N 2.94Å; E144-L146 PolarHBondContact O-N 3.37Å; E144-A147 PolarHBondContact O-N 2.81Å; E144-Q148 PolarHBondContact O-N 3.34Å
145S95.3Very high93Very high69 Ų6993.6 Ų93.648%0.48345%0.454SS..Hα-helixtrans-61.6-43.9174-570000111.9A141 K142 A147 Q148 V149A141-S145 PolarHBondContact O-N 3.48Å; A141-S145 PolarHBondContact O-OG 3.44Å; K142-S145 PolarHBondContact O-N 2.81Å; S145-A147 VanDerWaalsContact C-N 3.34Å; S145-A147 PolarHBondContact O-N 3.01Å; S145-Q148 WeakPolarHBondContact O-CB 3.32Å; S145-Q148 PolarHBondContact O-N 3.43Å; S145-V149 WeakPolarHBondContact O-CG2 3.39Å; S145-V149 PolarHBondContact O-N 3.33Å
146L94.1Very high93Very high81 Ų8193.8 Ų93.842%0.42445%0.453SS..Hα-helixtrans-63-39.8175.3-70171.5000112.1L105 K142 Y143 E144 Q148 V149 E150L105-L146 HydrophobicContact CD1-CB 3.77Å; K142-L146 HydrophobicContact CG-CD1 4.33Å; K142-L146 WeakPolarHBondContact O-CG 3.29Å; K142-L146 PolarHBondContact O-N 3.48Å; K142-L146 VanDerWaalsContact O-N 3.07Å; Y143-L146 HydrophobicContact CD1-CD1 4.39Å; Y143-L146 PolarHBondContact O-N 3.32Å; E144-L146 PolarHBondContact O-N 3.37Å; L146-Q148 VanDerWaalsContact C-N 3.29Å; L146-Q148 PolarHBondContact O-N 3.11Å; L146-V149 PolarHBondContact O-N 2.92Å; L146-E150 PolarHBondContact O-N 2.94Å
147A95.3Very high93.1Very high17 Ų1788.5 Ų88.514%0.1443%0.434CS..Hα-helixtrans-64.4-34.8175.400000111.9A102 L105 Y143 E144 S145 E150 K151A102-A147 HydrophobicContact CB-CB 4.05Å; L105-A147 HydrophobicContact CD1-CB 4.04Å; Y143-A147 VanDerWaalsContact O-CB 3.26Å; Y143-A147 WeakPolarHBondContact O-CB 3.42Å; Y143-A147 PolarHBondContact O-N 3.38Å; E144-A147 PolarHBondContact O-N 2.81Å; S145-A147 VanDerWaalsContact C-N 3.34Å; S145-A147 PolarHBondContact O-N 3.01Å; A147-E150 PolarHBondContact O-N 2.93Å; A147-K151 VanDerWaalsContact O-CB 3.28Å; A147-K151 WeakPolarHBondContact O-CB 3.49Å; A147-K151 PolarHBondContact O-N 2.96Å
148Q95.4Very high93.2Very high119 Ų11989.3 Ų89.356%0.55644%0.437SS*.Hα-helixtrans-65.8-42.5174.1-171.617610.600111.7E144 S145 L146 K151 Q152E144-Q148 PolarHBondContact O-N 3.34Å; S145-Q148 WeakPolarHBondContact O-CB 3.32Å; S145-Q148 PolarHBondContact O-N 3.43Å; L146-Q148 VanDerWaalsContact C-N 3.29Å; L146-Q148 PolarHBondContact O-N 3.11Å; Q148-K151 WeakPolarHBondContact O-CB 3.45Å; Q148-K151 PolarHBondContact O-N 3.14Å; Q148-Q152 WeakPolarHBondContact O-CG 3.31Å; Q148-Q152 PolarHBondContact O-N 2.98Å
149V95Very high93.4Very high89 Ų8985.2 Ų85.254%0.53942%0.421SS..Hα-helixtrans-61.7-45.6174.1174.70000110.8S145 L146 K151 Q152 R153S145-V149 WeakPolarHBondContact O-CG2 3.39Å; S145-V149 PolarHBondContact O-N 3.33Å; L146-V149 PolarHBondContact O-N 2.92Å; V149-K151 VanDerWaalsContact C-N 3.31Å; V149-K151 PolarHBondContact O-N 3.21Å; V149-Q152 PolarHBondContact O-N 3.42Å; V149-R153 PolarHBondContact O-N 2.96Å
150E93.8Very high93.5Very high46 Ų4688.4 Ų88.422%0.21543%0.43CS..Hα-helixtrans-66.4-34.3178.2-169.461.7-163.600111.8A99 L146 A147 R153 Y154A99-E150 HydrophobicContact CB-CG 4.08Å; L146-E150 PolarHBondContact O-N 2.94Å; A147-E150 PolarHBondContact O-N 2.93Å; E150-R153 PolarHBondContact O-N 3.06Å; E150-R153 IonicContact OE1-NH1 3.93Å; E150-R153 PolarHBondContact OE1-NH1 3.36Å; E150-R153 WeakPolarHBondContact OE2-CD 3.45Å; E150-R153 IonicContact OE2-NH1 3.54Å; E150-R153 PolarHBondContact OE2-NH1 2.76Å; E150-Y154 WeakPolarHBondContact O-CB 3.42Å; E150-Y154 PolarHBondContact O-N 3.47Å
151K94.5Very high93.4Very high137 Ų13787 Ų8760%0.59642%0.423SS*.Hα-helixtrans-60.7-46.9171.6-176.8-176.7176.7-173.80111.3A99 A147 Q148 V149 R153 Y154 E155A99-K151 HydrophobicContact CB-CB 4.48Å; A147-K151 VanDerWaalsContact O-CB 3.28Å; A147-K151 WeakPolarHBondContact O-CB 3.49Å; A147-K151 PolarHBondContact O-N 2.96Å; Q148-K151 WeakPolarHBondContact O-CB 3.45Å; Q148-K151 PolarHBondContact O-N 3.14Å; V149-K151 VanDerWaalsContact C-N 3.31Å; V149-K151 PolarHBondContact O-N 3.21Å; K151-R153 VanDerWaalsContact C-N 3.35Å; K151-R153 PolarHBondContact O-N 2.84Å; K151-Y154 PolarHBondContact O-N 2.95Å; K151-E155 WeakPolarHBondContact O-CB 3.42Å; K151-E155 PolarHBondContact O-N 3.08Å
152Q95.2Very high93.2Very high96 Ų9690.4 Ų90.445%0.44943%0.426SS..Hα-helixtrans-63.3-40.8176.9-70.6175.5-1.900111.9Q148 V149 E155 K156Q148-Q152 WeakPolarHBondContact O-CG 3.31Å; Q148-Q152 PolarHBondContact O-N 2.98Å; V149-Q152 PolarHBondContact O-N 3.42Å; Q152-E155 PolarHBondContact O-N 3.5Å; Q152-K156 WeakPolarHBondContact O-CG 3.45Å; Q152-K156 PolarHBondContact O-N 2.85Å
153R94.1Very high92.9Very high164 Ų16487.7 Ų87.762%0.61943%0.426SS*.Hα-helixtrans-59.6-47.6174.4-177.4-167.7178.1-168.63.9111.3V149 E150 K151 E155 K156 A157V149-R153 PolarHBondContact O-N 2.96Å; E150-R153 PolarHBondContact O-N 3.06Å; E150-R153 IonicContact OE1-NH1 3.93Å; E150-R153 PolarHBondContact OE1-NH1 3.36Å; E150-R153 WeakPolarHBondContact OE2-CD 3.45Å; E150-R153 IonicContact OE2-NH1 3.54Å; E150-R153 PolarHBondContact OE2-NH1 2.76Å; K151-R153 VanDerWaalsContact C-N 3.35Å; K151-R153 PolarHBondContact O-N 2.84Å; R153-E155 VanDerWaalsContact C-N 3.35Å; R153-K156 PolarHBondContact O-N 3.47Å; R153-A157 PolarHBondContact O-N 3.13Å
154Y93.4Very high92.3Very high57 Ų5788.9 Ų88.922%0.22444%0.442CS..Hα-helixtrans-62.8-41.2177.7175.1-115.6000112.1P96 K97 A99 E150 K151 A157 M158P96-Y154 HydrophobicContact CB-CD2 4.25Å; P96-Y154 HydrophobicContact CB-CE2 4.14Å; P96-Y154 HydrophobicContact CG-CD2 4.39Å; P96-Y154 HydrophobicContact CG-CE2 3.97Å; K97-Y154 WeakPolarHBondContact O-CD2 3.43Å; K97-Y154 WeakPolarHBondContact O-CE2 3.47Å; A99-Y154 HydrophobicContact CB-CD1 4.36Å; A99-Y154 HydrophobicContact CB-CG 4.18Å; E150-Y154 WeakPolarHBondContact O-CB 3.42Å; E150-Y154 PolarHBondContact O-N 3.47Å; K151-Y154 PolarHBondContact O-N 2.95Å; Y154-A157 PolarHBondContact O-N 3.39Å; Y154-M158 HydrophobicContact CD1-CG 4.23Å; Y154-M158 HydrophobicContact CD2-CG 4Å; Y154-M158 HydrophobicContact CE1-CG 3.74Å; Y154-M158 HydrophobicContact CE2-CG 3.47Å; Y154-M158 VanDerWaalsContact CE2-CG 3.47Å; Y154-M158 HydrophobicContact CE2-SD 3.88Å; Y154-M158 HydrophobicContact CG-CG 4.36Å; Y154-M158 WeakPolarHBondContact O-CB 3.31Å; Y154-M158 WeakPolarHBondContact O-CG 3.3Å; Y154-M158 PolarHBondContact O-N 2.86Å; Y154-M158 PolarHBondContact OH-SD 2.82Å; Y154-M158 VanDerWaalsContact OH-SD 3.35Å
155E93.3Very high91.6Very high105 Ų10588 Ų8849%0.49144%0.437SS..Hα-helixtrans-61.3-46.7177.6-176.9166.6-159.400111.8K151 Q152 R153 A157 M158 Q159K151-E155 WeakPolarHBondContact O-CB 3.42Å; K151-E155 PolarHBondContact O-N 3.08Å; Q152-E155 PolarHBondContact O-N 3.5Å; R153-E155 VanDerWaalsContact C-N 3.35Å; E155-A157 VanDerWaalsContact C-N 3.34Å; E155-A157 PolarHBondContact O-N 2.93Å; E155-M158 PolarHBondContact O-N 3.17Å; E155-Q159 WeakPolarHBondContact O-CG 3.49Å; E155-Q159 PolarHBondContact O-N 3.11Å
156K93.7Very high90.6Very high136 Ų13691 Ų9159%0.59144%0.441SS*.Hα-helixtrans-59.7-42.7173.8-70.8175.5-179.2177.60112.2Q152 R153 Q159 K160Q152-K156 WeakPolarHBondContact O-CG 3.45Å; Q152-K156 PolarHBondContact O-N 2.85Å; R153-K156 PolarHBondContact O-N 3.47Å; K156-Q159 PolarHBondContact O-N 3.37Å; K156-K160 PolarHBondContact O-N 2.72Å
157A91.9Very high89.2Confident36 Ų3690.4 Ų90.430%0.29844%0.444SS..Hα-helixtrans-65.5-39.9176.700000112P96 R153 Y154 E155 K160 Y161P96-A157 HydrophobicContact CB-CB 3.75Å; P96-A157 HydrophobicContact CG-CB 4.09Å; R153-A157 PolarHBondContact O-N 3.13Å; Y154-A157 PolarHBondContact O-N 3.39Å; E155-A157 VanDerWaalsContact C-N 3.34Å; E155-A157 PolarHBondContact O-N 2.93Å; A157-K160 PolarHBondContact O-N 3.04Å; A157-Y161 WeakPolarHBondContact O-CB 3.39Å; A157-Y161 PolarHBondContact O-N 3.21Å
158M90.2Very high87.5Confident38 Ų3896.8 Ų96.819%0.18747%0.468CS..Hα-helixtrans-66.4-36.5176.2-82.6-64.4-59.800112.3P96 Y154 E155 Y161 K162P96-M158 HydrophobicContact CG-CB 4.48Å; P96-M158 HydrophobicContact CG-CG 3.76Å; P96-M158 HydrophobicContact CG-SD 3.42Å; P96-M158 WeakPolarHBondContact CG-SD 3.46Å; Y154-M158 HydrophobicContact CD1-CG 4.23Å; Y154-M158 HydrophobicContact CD2-CG 4Å; Y154-M158 HydrophobicContact CE1-CG 3.74Å; Y154-M158 HydrophobicContact CE2-CG 3.47Å; Y154-M158 VanDerWaalsContact CE2-CG 3.47Å; Y154-M158 HydrophobicContact CE2-SD 3.88Å; Y154-M158 HydrophobicContact CG-CG 4.36Å; Y154-M158 WeakPolarHBondContact O-CB 3.31Å; Y154-M158 WeakPolarHBondContact O-CG 3.3Å; Y154-M158 PolarHBondContact O-N 2.86Å; Y154-M158 PolarHBondContact OH-SD 2.82Å; Y154-M158 VanDerWaalsContact OH-SD 3.35Å; E155-M158 PolarHBondContact O-N 3.17Å; M158-Y161 HydrophobicContact CE-CD1 4.37Å; M158-Y161 PolarHBondContact O-N 3.36Å; M158-Y161 HydrophobicContact SD-CD1 4.24Å; M158-K162 HydrophobicContact CE-CG 4.36Å; M158-K162 VanDerWaalsContact O-CB 3.28Å; M158-K162 WeakPolarHBondContact O-CB 3.05Å; M158-K162 WeakPolarHBondContact O-CG 3.36Å; M158-K162 PolarHBondContact O-N 2.88Å
159Q91.4Very high85.7Confident116 Ų11694.1 Ų94.154%0.54246%0.46SS..Hα-helixtrans-61.5-48174.1-72.5173.417.800110.8E155 K156 Y161 K162 A163E155-Q159 WeakPolarHBondContact O-CG 3.49Å; E155-Q159 PolarHBondContact O-N 3.11Å; K156-Q159 PolarHBondContact O-N 3.37Å; Q159-Y161 PolarHBondContact O-N 3.18Å; Q159-K162 PolarHBondContact O-N 3.25Å; Q159-A163 WeakPolarHBondContact O-CB 3.44Å; Q159-A163 PolarHBondContact O-N 3.4Å
160K90.6Very high83.8Confident167 Ų16795.4 Ų95.473%0.72646%0.46SS*.Hα-helixtrans-60.2-45.7175.5-68.3-178.9178.5-172.40112.3K156 A157 A163 G164K156-K160 PolarHBondContact O-N 2.72Å; A157-K160 PolarHBondContact O-N 3.04Å; K160-A163 PolarHBondContact O-N 2.95Å; K160-G164 PolarHBondContact O-N 2.98Å
161Y88.7Confident81.8Confident41 Ų4199.8 Ų99.816%0.16149%0.485CS..Hα-helixtrans-64.3-42.2178.2170.8-100.5000112.3D92 D94 A95 A157 M158 Q159 G164 K165D92-Y161 WeakPolarHBondContact CB-OH 3.38Å; D92-Y161 PolarHBondContact OD2-OH 3.34Å; D94-Y161 HydrophobicContact CB-CD2 4.5Å; D94-Y161 HydrophobicContact CB-CE2 4.1Å; D94-Y161 VanDerWaalsContact O-CD2 3.26Å; D94-Y161 WeakPolarHBondContact O-CD2 3.17Å; A95-Y161 VanDerWaalsContact CA-CE2 3.48Å; A95-Y161 HydrophobicContact CB-CD1 4.43Å; A95-Y161 HydrophobicContact CB-CD2 4.46Å; A95-Y161 HydrophobicContact CB-CE1 3.88Å; A95-Y161 HydrophobicContact CB-CE2 3.93Å; A157-Y161 WeakPolarHBondContact O-CB 3.39Å; A157-Y161 PolarHBondContact O-N 3.21Å; M158-Y161 HydrophobicContact CE-CD1 4.37Å; M158-Y161 PolarHBondContact O-N 3.36Å; M158-Y161 HydrophobicContact SD-CD1 4.24Å; Q159-Y161 PolarHBondContact O-N 3.18Å; Y161-G164 PolarHBondContact O-N 2.9Å; Y161-K165 HydrophobicContact CE1-CD 4.29Å; Y161-K165 VanDerWaalsContact O-CB 3.28Å; Y161-K165 WeakPolarHBondContact O-CB 3.49Å; Y161-K165 PolarHBondContact O-N 3.06Å; Y161-K165 PolarHBondContact OH-NZ 3.5Å; Y161-K165 VanDerWaalsContact OH-NZ 3.15Å
162K88.7Confident79.8Confident136 Ų13697.2 Ų97.259%0.59148%0.484SS*.Hα-helixtrans-63.5-42.2175.2-76.8177.2178.4-173.10111.9M158 Q159 K165 K166M158-K162 HydrophobicContact CE-CG 4.36Å; M158-K162 VanDerWaalsContact O-CB 3.28Å; M158-K162 WeakPolarHBondContact O-CB 3.05Å; M158-K162 WeakPolarHBondContact O-CG 3.36Å; M158-K162 PolarHBondContact O-N 2.88Å; Q159-K162 PolarHBondContact O-N 3.25Å; K162-K165 PolarHBondContact O-N 2.96Å; K162-K166 WeakPolarHBondContact O-CB 3.35Å; K162-K166 PolarHBondContact O-N 3.25Å
163A87.8Confident77.6Confident66 Ų66100.5 Ų100.555%0.54550%0.5SS..Hα-helixtrans-61.8-48.717700000111.7Q159 K160 K165 K166 S167Q159-A163 WeakPolarHBondContact O-CB 3.44Å; Q159-A163 PolarHBondContact O-N 3.4Å; K160-A163 PolarHBondContact O-N 2.95Å; A163-K165 VanDerWaalsContact C-N 3.32Å; A163-K165 PolarHBondContact O-N 2.9Å; A163-K166 PolarHBondContact O-N 2.9Å; A163-S167 PolarHBondContact O-N 3.3Å
164G82.4Confident75.1Confident37 Ų3797.5 Ų97.538%0.38150%0.504SS..Hα-helixtrans-69-26.9177.800000114.3K160 Y161 S167 K168K160-G164 PolarHBondContact O-N 2.98Å; Y161-G164 PolarHBondContact O-N 2.9Å; G164-S167 PolarHBondContact O-OG 3.18Å; G164-K168 PolarHBondContact O-N 3.29Å
165K78.2Confident72.7Confident96 Ų96101.8 Ų101.842%0.41753%0.531SS..Hα-helixtrans-74.5-40.8173.6-168.6175.2-170.8129.10111.8D92 Y161 K162 A163 S167 K168 T169D92-K165 IonicContact OD2-NZ 2.66Å; D92-K165 PolarHBondContact OD2-NZ 3.21Å; D92-K165 VanDerWaalsContact OD2-NZ 3.11Å; Y161-K165 HydrophobicContact CE1-CD 4.29Å; Y161-K165 VanDerWaalsContact O-CB 3.28Å; Y161-K165 WeakPolarHBondContact O-CB 3.49Å; Y161-K165 PolarHBondContact O-N 3.06Å; Y161-K165 PolarHBondContact OH-NZ 3.5Å; Y161-K165 VanDerWaalsContact OH-NZ 3.15Å; K162-K165 PolarHBondContact O-N 2.96Å; A163-K165 VanDerWaalsContact C-N 3.32Å; A163-K165 PolarHBondContact O-N 2.9Å; K165-S167 VanDerWaalsContact C-N 3.32Å; K165-S167 PolarHBondContact O-N 3.3Å; K165-K168 PolarHBondContact O-N 3.09Å; K165-T169 PolarHBondContact O-N 2.66Å; K165-T169 PolarHBondContact O-OG1 3.22Å
166K74.5Confident70.6Confident131 Ų131108.2 Ų108.257%0.5757%0.569SS**Hα-helixtrans-59.1-45.5177.3-171.8-179.5172-173.20110.9K162 A163 K168 T169 E170K162-K166 WeakPolarHBondContact O-CB 3.35Å; K162-K166 PolarHBondContact O-N 3.25Å; A163-K166 PolarHBondContact O-N 2.9Å; K166-K168 VanDerWaalsContact C-N 3.32Å; K166-K168 PolarHBondContact O-N 3.1Å; K166-T169 PolarHBondContact O-N 3.4Å; K166-T169 VanDerWaalsContact O-N 3.14Å; K166-E170 WeakPolarHBondContact CE-OE1 3.31Å; K166-E170 IonicContact NZ-OE1 3.74Å; K166-E170 PolarHBondContact O-N 2.88Å
167S66.1Low69.4Low68 Ų68106.9 Ų106.948%0.47657%0.567SS.*Hα-helixtrans-63-35.6177.361.40000113.3A163 G164 K165 D171A163-S167 PolarHBondContact O-N 3.3Å; G164-S167 PolarHBondContact O-OG 3.18Å; K165-S167 VanDerWaalsContact C-N 3.32Å; K165-S167 PolarHBondContact O-N 3.3Å; S167-D171 PolarHBondContact O-N 2.91Å
168K57.8Low68.2Low152 Ų152110.6 Ų110.666%0.66158%0.582SS**Hα-helixtrans-70.4-32.1174.6-81.4-166.5174.7-173.90113.2G164 K165 K166 S172G164-K168 PolarHBondContact O-N 3.29Å; K165-K168 PolarHBondContact O-N 3.09Å; K166-K168 VanDerWaalsContact C-N 3.32Å; K166-K168 PolarHBondContact O-N 3.1Å; K168-S172 PolarHBondContact O-N 3.37Å; K168-S172 PolarHBondContact O-OG 2.87Å
169T57.6Low67Low63 Ų63114.6 Ų114.639%0.38760%0.603SS.*Hα-helixtrans-76.6-39179.4-59.90000111.8K165 K166 D171 S172 E173K165-T169 PolarHBondContact O-N 2.66Å; K165-T169 PolarHBondContact O-OG1 3.22Å; K166-T169 PolarHBondContact O-N 3.4Å; K166-T169 VanDerWaalsContact O-N 3.14Å; T169-D171 VanDerWaalsContact C-N 3.3Å; T169-D171 PolarHBondContact O-N 3.14Å; T169-S172 WeakPolarHBondContact CA-OG 3.47Å; T169-S172 PolarHBondContact O-N 3.05Å; T169-S172 PolarHBondContact O-OG 3.12Å; T169-E173 PolarHBondContact O-N 3.29Å
170E55Low65.6Low116 Ų116114.5 Ų114.554%0.54261%0.607SS.*Hα-helixtrans-65.1-32.5176.3-72.4172.7141.800112.3K166K166-E170 WeakPolarHBondContact CE-OE1 3.31Å; K166-E170 IonicContact NZ-OE1 3.74Å; K166-E170 PolarHBondContact O-N 2.88Å
171D52.9Low64Low138 Ų138111.3 Ų111.374%0.73860%0.6SS**Hα-helixtrans-71.8-30.8173.9-154.4-113.2000112.2S167 T169S167-D171 PolarHBondContact O-N 2.91Å; T169-D171 VanDerWaalsContact C-N 3.3Å; T169-D171 PolarHBondContact O-N 3.14Å
172S52.7Low62.4Low82 Ų82115.9 Ų115.957%0.57363%0.629SS**Hα-helixtrans-84.9-5.8-179.760.60000115.3K168 T169K168-S172 PolarHBondContact O-N 3.37Å; K168-S172 PolarHBondContact O-OG 2.87Å; T169-S172 WeakPolarHBondContact CA-OG 3.47Å; T169-S172 PolarHBondContact O-N 3.05Å; T169-S172 PolarHBondContact O-OG 3.12Å
173E47.8Very low60.5Low165 Ų165114.5 Ų114.577%0.77163%0.632SS**THydrogen-bonded Turntrans-10210-180-143.7166.1113.800112.3T169T169-E173 PolarHBondContact O-N 3.29Å
174S42.7Very low58.4Low101 Ų101118.2 Ų118.271%0.70664%0.638SS**SBendtrans-107.49174.5-63.60000114.6
175D43.1Very low56.4Low147 Ų147125 Ų12579%0.78666%0.66SS**  trans-134.772.5173-86.5-56.8000109.9
176D48.1Very low54.4Low241 Ų241127.6 Ų127.6100%1.28968%0.682SS**  trans-173.30137-131-80.1000110.1

Retrieved 176 of 176 residues in 155.1 ms (Link to these results)

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