A0A060CZ30_MAIZE Loading...

Homeodomain-like/winged-helix DNA-binding family protein

Binds preferentially double-stranded telomeric repeats, but may also bind to the single telomeric strand.

AlphaFold DB (Q8W119), UniProt , Accession A0A060CZ30, Species MAIZE (Zea mays, Maize), Gene MYBR7, Length 288 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M45.4Very low74.5Confident246 Ų246126.2 Ų126.2100%1.21270%0.698SS**  099.80-66.5-67.8-130.200108.1
2G57.1Low76.1Confident80 Ų80116.3 Ų116.383%0.82564%0.643SS**PPolyproline II helixtrans-79128.3176.200000109.8
3A59.6Low77.5Confident92 Ų92110.7 Ų110.776%0.7661%0.609SS**PPolyproline II helixtrans-57.1136.5176.100000110K5A3-K5 PolarHBondContact O-N 3.3Å
4P63.5Low78.6Confident117 Ų117108.9 Ų108.976%0.7660%0.598SS**PPolyproline II helixtrans-57.9134.517723.9-32.2000109.4Q6P4-Q6 PolarHBondContact O-N 2.85Å
5K69.6Low79.7Confident205 Ų205102.3 Ų102.389%0.89156%0.564SS**  trans-64.198.5176.9-69.7-177.7178.7177.80108.7A3 K7A3-K5 PolarHBondContact O-N 3.3Å; K5-K7 PolarHBondContact O-N 3.14Å; K5-K7 VanDerWaalsContact O-N 3.13Å
6Q75.3Confident80.6Confident122 Ų12295.9 Ų95.957%0.5753%0.529SS*.  trans-62.2114.5178.6-173.779.6-12.700108.9P4 R44P4-Q6 PolarHBondContact O-N 2.85Å; Q6-R44 VanDerWaalsContact CB-NH1 3.31Å; Q6-R44 PolarHBondContact O-NH1 2.98Å; Q6-R44 PolarHBondContact O-NH2 3.26Å
7K86.2Confident81.5Confident187 Ų18794.9 Ų94.981%0.81352%0.515SS*.PPolyproline II helixtrans-70.4141.1175.2-67-175.2179.5-175.80109.1K5 T9 R44K5-K7 PolarHBondContact O-N 3.14Å; K5-K7 VanDerWaalsContact O-N 3.13Å; K7-T9 PolarHBondContact O-N 3.2Å; K7-R44 VanDerWaalsContact C-NH2 3.26Å; K7-R44 PolarHBondContact O-NH2 2.99Å
8W89.4Confident82.2Confident50 Ų5090.9 Ų90.919%0.18950%0.497CS..PPolyproline II helixtrans-69127.6175.6-78.776.9000110.1E12 E13 L16 L41 R44 D48 L49 K52W8-E12 WeakPolarHBondContact CA-OE2 3.42Å; W8-E12 HydrophobicContact CE3-CB 3.64Å; W8-E12 HydrophobicContact CZ3-CB 3.94Å; W8-E13 HydrophobicContact CB-CG 4.09Å; W8-E13 HydrophobicContact CE3-CG 4.15Å; W8-L16 HydrophobicContact CH2-CD2 3.84Å; W8-L16 HydrophobicContact CZ3-CB 4.25Å; W8-L16 HydrophobicContact CZ3-CD2 3.85Å; W8-L41 HydrophobicContact CZ3-CD2 4.25Å; W8-R44 HydrophobicContact CH2-CG 4.3Å; W8-R44 HydrophobicContact CZ2-CG 4.38Å; W8-D48 HydrophobicContact CZ2-CB 4.16Å; W8-L49 HydrophobicContact CH2-CD1 4.14Å; W8-L49 HydrophobicContact CH2-CG 4.35Å; W8-K52 HydrophobicContact CB-CD 4.4Å; W8-K52 HydrophobicContact CD2-CB 4.09Å; W8-K52 HydrophobicContact CD2-CD 3.54Å; W8-K52 VanDerWaalsContact CD2-CE 3.49Å; W8-K52 HydrophobicContact CD2-CG 3.48Å; W8-K52 VanDerWaalsContact CD2-CG 3.48Å; W8-K52 VanDerWaalsContact CE2-CB 3.42Å; W8-K52 HydrophobicContact CE3-CB 4.46Å; W8-K52 HydrophobicContact CE3-CD 4.13Å; W8-K52 HydrophobicContact CE3-CG 3.69Å; W8-K52 HydrophobicContact CG-CD 3.62Å; W8-K52 HydrophobicContact CG-CG 4.14Å; W8-K52 VanDerWaalsContact CG-NZ 3.34Å; W8-K52 HydrophobicContact CH2-CB 3.68Å; W8-K52 HydrophobicContact CH2-CG 3.75Å; W8-K52 HydrophobicContact CZ2-CB 3.2Å; W8-K52 HydrophobicContact CZ2-CD 4.3Å; W8-K52 HydrophobicContact CZ2-CG 3.55Å; W8-K52 HydrophobicContact CZ3-CB 4.27Å; W8-K52 HydrophobicContact CZ3-CG 3.81Å
9T91Very high82.9Confident66 Ų6686.1 Ų86.141%0.40547%0.471SS..PPolyproline II helixtrans-82.4157.817166.30000110.2K7 E11 E12 E13K7-T9 PolarHBondContact O-N 3.2Å; T9-E11 PolarHBondContact O-N 3.23Å; T9-E12 PolarHBondContact N-OE2 2.77Å; T9-E12 PolarHBondContact O-N 3.04Å; T9-E12 VanDerWaalsContact OG1-CG 3.25Å; T9-E12 WeakPolarHBondContact OG1-CG 3.29Å; T9-E12 PolarHBondContact OG1-N 2.93Å; T9-E12 PolarHBondContact OG1-OE2 3.02Å; T9-E13 WeakPolarHBondContact O-CG 3.43Å; T9-E13 PolarHBondContact O-N 3.36Å
10S90.2Very high83.5Confident90 Ų9082.4 Ų82.463%0.62945%0.451SS*.Hα-helixtrans-60.6-32.9177.4-171.90000112.2E13 D14S10-E13 PolarHBondContact O-N 3.24Å; S10-D14 WeakPolarHBondContact O-CB 2.97Å; S10-D14 PolarHBondContact O-N 3.44Å
11E92.6Very high83.9Confident133 Ų13387.7 Ų87.762%0.62146%0.464SS*.Hα-helixtrans-66.4-44.3176.2-169.9-177.6-175.500111.4T9 E13 D14 A15 V40T9-E11 PolarHBondContact O-N 3.23Å; E11-E13 VanDerWaalsContact C-N 3.34Å; E11-E13 PolarHBondContact O-N 2.88Å; E11-D14 PolarHBondContact O-N 3.38Å; E11-A15 VanDerWaalsContact O-CB 3.29Å; E11-A15 WeakPolarHBondContact O-CB 3.36Å; E11-A15 PolarHBondContact O-N 2.9Å; E11-V40 HydrophobicContact CB-CG1 4.45Å; E11-V40 HydrophobicContact CG-CG1 3.96Å; E11-V40 HydrophobicContact CG-CG2 4.14Å
12E93.5Very high86.3Confident8 Ų881 Ų814%0.03743%0.428CS..Hα-helixtrans-62.9-40.6174.3-72172.7130.100111.9W8 T9 L16 V40 L41 S43 R44W8-E12 WeakPolarHBondContact CA-OE2 3.42Å; W8-E12 HydrophobicContact CE3-CB 3.64Å; W8-E12 HydrophobicContact CZ3-CB 3.94Å; T9-E12 PolarHBondContact N-OE2 2.77Å; T9-E12 PolarHBondContact O-N 3.04Å; T9-E12 VanDerWaalsContact OG1-CG 3.25Å; T9-E12 WeakPolarHBondContact OG1-CG 3.29Å; T9-E12 PolarHBondContact OG1-N 2.93Å; T9-E12 PolarHBondContact OG1-OE2 3.02Å; E12-L16 VanDerWaalsContact O-CB 3.31Å; E12-L16 WeakPolarHBondContact O-CB 3.5Å; E12-L16 PolarHBondContact O-N 3.47Å; E12-V40 HydrophobicContact CB-CG1 4.19Å; E12-V40 HydrophobicContact CG-CG1 3.66Å; E12-L41 HydrophobicContact CB-CD2 4.32Å; E12-S43 PolarHBondContact OE1-OG 2.9Å; E12-R44 IonicContact OE1-CZ 2.8Å; E12-R44 IonicContact OE1-NE 3.41Å; E12-R44 PolarHBondContact OE1-NE 3.44Å; E12-R44 IonicContact OE1-NH2 3.49Å; E12-R44 PolarHBondContact OE1-NH2 2.75Å; E12-R44 IonicContact OE2-CZ 3.45Å; E12-R44 IonicContact OE2-NE 3.64Å; E12-R44 IonicContact OE2-NH2 3.34Å; E12-R44 PolarHBondContact OE2-NH2 3.29Å
13E93.8Very high88.1Confident43 Ų4379.1 Ų79.120%0.20140%0.398CS..Hα-helixtrans-66.5-39.1176.9-67.7-175.9179.100112.5W8 T9 S10 E11 L16 R17 K52W8-E13 HydrophobicContact CB-CG 4.09Å; W8-E13 HydrophobicContact CE3-CG 4.15Å; T9-E13 WeakPolarHBondContact O-CG 3.43Å; T9-E13 PolarHBondContact O-N 3.36Å; S10-E13 PolarHBondContact O-N 3.24Å; E11-E13 VanDerWaalsContact C-N 3.34Å; E11-E13 PolarHBondContact O-N 2.88Å; E13-L16 PolarHBondContact O-N 3.45Å; E13-R17 WeakPolarHBondContact O-CG 3.31Å; E13-R17 PolarHBondContact O-N 2.95Å; E13-R17 IonicContact OE2-NH2 3.09Å; E13-R17 PolarHBondContact OE2-NH2 3.24Å; E13-K52 VanDerWaalsContact OE1-CE 3.26Å; E13-K52 WeakPolarHBondContact OE1-CE 3.33Å; E13-K52 IonicContact OE1-NZ 3.65Å; E13-K52 PolarHBondContact OE1-NZ 3.44Å
14D93.9Very high89.7Confident85 Ų8576.1 Ų76.146%0.45538%0.376SS..Hα-helixtrans-71.2-43.1178.2-162.159.5000111.9S10 E11 L16 R17 A18S10-D14 WeakPolarHBondContact O-CB 2.97Å; S10-D14 PolarHBondContact O-N 3.44Å; E11-D14 PolarHBondContact O-N 3.38Å; D14-L16 VanDerWaalsContact C-N 3.26Å; D14-L16 PolarHBondContact O-N 3.27Å; D14-R17 PolarHBondContact O-N 3.46Å; D14-R17 VanDerWaalsContact O-N 3.1Å; D14-R17 IonicContact OD1-NH1 3.52Å; D14-R17 PolarHBondContact OD1-NH1 2.76Å; D14-A18 WeakPolarHBondContact O-CB 3.38Å; D14-A18 PolarHBondContact O-N 2.77Å
15A94.3Very high91Very high11 Ų1173.7 Ų73.79%0.09137%0.366CS..Hα-helixtrans-57.7-39.3170.700000111.6E11 G19 F37 V40 L41E11-A15 VanDerWaalsContact O-CB 3.29Å; E11-A15 WeakPolarHBondContact O-CB 3.36Å; E11-A15 PolarHBondContact O-N 2.9Å; A15-G19 PolarHBondContact O-N 3.5Å; A15-F37 HydrophobicContact CB-CB 4.43Å; A15-F37 HydrophobicContact CB-CD1 4.05Å; A15-V40 HydrophobicContact CB-CB 4.23Å; A15-V40 HydrophobicContact CB-CG1 4.14Å; A15-L41 HydrophobicContact CB-CD1 4.29Å; A15-L41 HydrophobicContact CB-CD2 4.24Å; A15-L41 HydrophobicContact CB-CG 4.11Å
16L94.7Very high92.1Very high0 Ų066.1 Ų66.10%035%0.346CS..Hα-helixtrans-66.6-43174.2-179.958.8000112W8 E12 E13 D14 G19 V20 W28 L49 K52 W53 L56W8-L16 HydrophobicContact CH2-CD2 3.84Å; W8-L16 HydrophobicContact CZ3-CB 4.25Å; W8-L16 HydrophobicContact CZ3-CD2 3.85Å; E12-L16 VanDerWaalsContact O-CB 3.31Å; E12-L16 WeakPolarHBondContact O-CB 3.5Å; E12-L16 PolarHBondContact O-N 3.47Å; E13-L16 PolarHBondContact O-N 3.45Å; D14-L16 VanDerWaalsContact C-N 3.26Å; D14-L16 PolarHBondContact O-N 3.27Å; L16-G19 PolarHBondContact O-N 3.03Å; L16-V20 HydrophobicContact CD1-CG2 4.11Å; L16-V20 WeakPolarHBondContact O-CB 3.38Å; L16-V20 VanDerWaalsContact O-CG2 3.3Å; L16-V20 WeakPolarHBondContact O-CG2 3.47Å; L16-V20 PolarHBondContact O-N 2.75Å; L16-W28 HydrophobicContact CD1-CE3 4.47Å; L16-W28 HydrophobicContact CD1-CZ3 4.17Å; L16-L49 HydrophobicContact CD1-CB 4.07Å; L16-L49 HydrophobicContact CD1-CD2 4.32Å; L16-L49 HydrophobicContact CD1-CG 3.96Å; L16-K52 HydrophobicContact CD2-CB 3.84Å; L16-K52 HydrophobicContact CD2-CG 3.62Å; L16-W53 HydrophobicContact CD2-CB 4.35Å; L16-W53 HydrophobicContact CG-CE3 4.23Å; L16-L56 HydrophobicContact CD2-CD1 3.94Å
17R94.8Very high93Very high79 Ų7965.9 Ų65.930%0.29834%0.343SS..Hα-helixtrans-63.4-45.8176.1-75.8-179.2-124110.3-1.1111.9E13 D14 V20 R21 W53E13-R17 WeakPolarHBondContact O-CG 3.31Å; E13-R17 PolarHBondContact O-N 2.95Å; E13-R17 IonicContact OE2-NH2 3.09Å; E13-R17 PolarHBondContact OE2-NH2 3.24Å; D14-R17 PolarHBondContact O-N 3.46Å; D14-R17 VanDerWaalsContact O-N 3.1Å; D14-R17 IonicContact OD1-NH1 3.52Å; D14-R17 PolarHBondContact OD1-NH1 2.76Å; R17-V20 PolarHBondContact O-N 3.45Å; R17-R21 WeakPolarHBondContact O-CB 3.39Å; R17-R21 PolarHBondContact O-N 3.18Å; R17-W53 HydrophobicContact CG-CZ3 4.2Å
18A94.4Very high93.4Very high22 Ų2258.4 Ų58.418%0.18231%0.31CS..Hα-helixtrans-63.8-43.6176.400000111.3D14 V20 R21 K22 F37D14-A18 WeakPolarHBondContact O-CB 3.38Å; D14-A18 PolarHBondContact O-N 2.77Å; A18-V20 PolarHBondContact O-N 3.13Å; A18-R21 WeakPolarHBondContact O-CB 3.38Å; A18-R21 PolarHBondContact O-N 2.8Å; A18-K22 WeakPolarHBondContact O-CB 3.49Å; A18-K22 PolarHBondContact O-N 2.86Å; A18-F37 HydrophobicContact CB-CD1 4.47Å; A18-F37 HydrophobicContact CB-CE1 3.54Å; A18-F37 HydrophobicContact CB-CZ 3.87Å
19G95.1Very high93.7Very high0 Ų064.6 Ų64.60%033%0.333CS..Hα-helixtrans-62.1-42.2176.400000113.4A15 L16 K22 H23 I31A15-G19 PolarHBondContact O-N 3.5Å; L16-G19 PolarHBondContact O-N 3.03Å; G19-K22 PolarHBondContact O-N 3.34Å; G19-H23 PolarHBondContact O-N 3.42Å; G19-I31 WeakPolarHBondContact O-CG1 3.39Å
20V94.9Very high93.8Very high12 Ų1264.7 Ų64.77%0.07333%0.334CS..Hα-helixtrans-68.2-36174.2174.20000111.7L16 R17 A18 K22 G24 A25 W28 I31 W53L16-V20 HydrophobicContact CD1-CG2 4.11Å; L16-V20 WeakPolarHBondContact O-CB 3.38Å; L16-V20 VanDerWaalsContact O-CG2 3.3Å; L16-V20 WeakPolarHBondContact O-CG2 3.47Å; L16-V20 PolarHBondContact O-N 2.75Å; R17-V20 PolarHBondContact O-N 3.45Å; A18-V20 PolarHBondContact O-N 3.13Å; V20-K22 VanDerWaalsContact C-N 3.33Å; V20-G24 CarbonylContact O-C 3.57Å; V20-G24 WeakPolarHBondContact O-CA 3.19Å; V20-G24 PolarHBondContact O-N 2.86Å; V20-A25 HydrophobicContact CG1-CB 3.88Å; V20-W28 HydrophobicContact CG2-CH2 4.07Å; V20-W28 HydrophobicContact CG2-CZ3 3.54Å; V20-I31 HydrophobicContact CB-CD1 4.49Å; V20-I31 HydrophobicContact CG2-CD1 3.74Å; V20-W53 HydrophobicContact CB-CD2 4.34Å; V20-W53 HydrophobicContact CB-CE3 4.04Å; V20-W53 HydrophobicContact CB-CH2 3.73Å; V20-W53 HydrophobicContact CB-CZ2 4.08Å; V20-W53 HydrophobicContact CB-CZ3 3.71Å; V20-W53 HydrophobicContact CG1-CD2 4.17Å; V20-W53 HydrophobicContact CG1-CE3 4.27Å; V20-W53 HydrophobicContact CG1-CH2 3.41Å; V20-W53 VanDerWaalsContact CG1-CH2 3.41Å; V20-W53 HydrophobicContact CG1-CZ2 3.31Å; V20-W53 HydrophobicContact CG1-CZ3 3.91Å; V20-W53 HydrophobicContact CG2-CD2 3.79Å; V20-W53 HydrophobicContact CG2-CE3 3.62Å; V20-W53 HydrophobicContact CG2-CG 4.4Å; V20-W53 HydrophobicContact CG2-CH2 4.22Å; V20-W53 HydrophobicContact CG2-CZ2 4.4Å; V20-W53 HydrophobicContact CG2-CZ3 3.84Å
21R93.4Very high94Very high194 Ų19460.4 Ų60.473%0.73230%0.304SS*.Hα-helixtrans-64-37.7173.1-167.1-176.5-61.7125.5-0.9112.1R17 A18R17-R21 WeakPolarHBondContact O-CB 3.39Å; R17-R21 PolarHBondContact O-N 3.18Å; A18-R21 WeakPolarHBondContact O-CB 3.38Å; A18-R21 PolarHBondContact O-N 2.8Å
22K94.9Very high94Very high104 Ų10455.7 Ų55.745%0.45228%0.282SS..Hα-helixtrans-78.1-46.1-178.4-169.2-176.1-177.5-1750113.3A18 G19 V20 D34 E36 F37A18-K22 WeakPolarHBondContact O-CB 3.49Å; A18-K22 PolarHBondContact O-N 2.86Å; G19-K22 PolarHBondContact O-N 3.34Å; V20-K22 VanDerWaalsContact C-N 3.33Å; K22-D34 WeakPolarHBondContact CE-OD2 3.36Å; K22-D34 IonicContact NZ-OD1 3.99Å; K22-D34 PolarHBondContact NZ-OD1 3.24Å; K22-D34 IonicContact NZ-OD2 3.42Å; K22-D34 PolarHBondContact NZ-OD2 3.42Å; K22-E36 VanDerWaalsContact NZ-CD 3.3Å; K22-E36 IonicContact NZ-OE1 2.67Å; K22-E36 IonicContact NZ-OE2 2.87Å; K22-E36 PolarHBondContact NZ-OE2 3.29Å; K22-F37 HydrophobicContact CB-CE2 4.38Å; K22-F37 HydrophobicContact CD-CE2 3.82Å; K22-F37 HydrophobicContact CD-CZ 4.13Å
23H94.7Very high93.9Very high41 Ų4162.9 Ų62.919%0.1931%0.313CS..Hα-helixtrans-102.8-23.4-173-71.9-71.4000114.5G19 K27 T30 I31 D34G19-H23 PolarHBondContact O-N 3.42Å; H23-K27 HydrophobicContact CB-CB 4.1Å; H23-K27 HydrophobicContact CB-CD 4.27Å; H23-K27 WeakPolarHBondContact O-CD 3.46Å; H23-K27 VanDerWaalsContact O-CE 3.27Å; H23-K27 WeakPolarHBondContact O-CE 3Å; H23-K27 PolarHBondContact O-NZ 2.95Å; H23-T30 WeakPolarHBondContact ND1-CG2 3.33Å; H23-I31 HydrophobicContact CB-CD1 4.39Å; H23-I31 HydrophobicContact CB-CG1 3.82Å; H23-D34 IonicContact CD2-OD2 2.73Å; H23-D34 IonicContact CE1-OD2 3.17Å; H23-D34 IonicContact NE2-OD2 2.76Å; H23-D34 PolarHBondContact NE2-OD2 3.06Å
24G92.6Very high93.9Very high30 Ų3061.5 Ų61.531%0.30931%0.307SS..  trans95.2152.1-170.100000113.2V20 G26 K27V20-G24 CarbonylContact O-C 3.57Å; V20-G24 WeakPolarHBondContact O-CA 3.19Å; V20-G24 PolarHBondContact O-N 2.86Å; G24-G26 PolarHBondContact O-N 2.91Å; G24-K27 PolarHBondContact O-N 3.07Å
25A91.9Very high93.8Very high65 Ų6563 Ų6354%0.53732%0.321SS..THydrogen-bonded Turntrans-64.8135.1175.800000109.9V20 W28V20-A25 HydrophobicContact CG1-CB 3.88Å; A25-W28 HydrophobicContact CB-CH2 4.2Å
26G92.8Very high93.7Very high47 Ų4768.4 Ų68.449%0.48535%0.345SS..THydrogen-bonded Turntrans106.1-24.8-177.600000114.4G24 W28G24-G26 PolarHBondContact O-N 2.91Å; G26-W28 PolarHBondContact O-N 3Å
27K94.1Very high93.6Very high116 Ų11669.3 Ų69.350%0.50435%0.349SS..  trans-84.147.7178.3-60.4-164.6-166.3148.70112.8H23 G24 R29 T30 I31H23-K27 HydrophobicContact CB-CB 4.1Å; H23-K27 HydrophobicContact CB-CD 4.27Å; H23-K27 WeakPolarHBondContact O-CD 3.46Å; H23-K27 VanDerWaalsContact O-CE 3.27Å; H23-K27 WeakPolarHBondContact O-CE 3Å; H23-K27 PolarHBondContact O-NZ 2.95Å; G24-K27 PolarHBondContact O-N 3.07Å; K27-R29 VanDerWaalsContact C-N 3.35Å; K27-R29 PolarHBondContact O-N 3.25Å; K27-T30 WeakPolarHBondContact O-CB 3.5Å; K27-T30 PolarHBondContact O-N 3.23Å; K27-I31 WeakPolarHBondContact O-CG1 3.45Å; K27-I31 PolarHBondContact O-N 3.48Å
28W95Very high93.4Very high30 Ų3067.1 Ų67.111%0.11435%0.345CS..Hα-helixtrans-59.2-40.8-171-49118.6000113.7L16 V20 A25 G26 I31 Q32 N46 L49 K50 W53L16-W28 HydrophobicContact CD1-CE3 4.47Å; L16-W28 HydrophobicContact CD1-CZ3 4.17Å; V20-W28 HydrophobicContact CG2-CH2 4.07Å; V20-W28 HydrophobicContact CG2-CZ3 3.54Å; A25-W28 HydrophobicContact CB-CH2 4.2Å; G26-W28 PolarHBondContact O-N 3Å; W28-I31 HydrophobicContact CE3-CD1 4.04Å; W28-I31 HydrophobicContact CZ3-CD1 4.16Å; W28-I31 PolarHBondContact O-N 3.33Å; W28-Q32 VanDerWaalsContact O-CB 3.28Å; W28-Q32 WeakPolarHBondContact O-CB 3.44Å; W28-Q32 PolarHBondContact O-N 3.24Å; W28-N46 HydrophobicContact CB-CB 3.95Å; W28-L49 HydrophobicContact CE3-CB 4.11Å; W28-K50 HydrophobicContact CD2-CB 4.15Å; W28-K50 HydrophobicContact CG-CB 4.17Å; W28-K50 HydrophobicContact CZ2-CB 4.47Å; W28-K50 HydrophobicContact CZ2-CG 4.23Å; W28-W53 HydrophobicContact CH2-CB 3.5Å; W28-W53 VanDerWaalsContact CH2-CB 3.5Å; W28-W53 AromaticContact CH2-CD1 3.43Å; W28-W53 VanDerWaalsContact CH2-CD1 3.43Å; W28-W53 HydrophobicContact CH2-CD2 4.22Å; W28-W53 AromaticContact CH2-CG 3.39Å; W28-W53 HydrophobicContact CH2-CG 3.39Å; W28-W53 HydrophobicContact CZ2-CB 4.31Å; W28-W53 HydrophobicContact CZ2-CG 4.33Å; W28-W53 HydrophobicContact CZ3-CB 3.79Å; W28-W53 AromaticContact CZ3-CG 3.95Å; W28-W53 HydrophobicContact CZ3-CG 3.95Å
29R94.1Very high93.3Very high181 Ų18171.1 Ų71.168%0.68337%0.369SS*.Hα-helixtrans-66.2-39175.4-80.8-162.8179.4170.21.3112.2K27 Q32 K33 N46K27-R29 VanDerWaalsContact C-N 3.35Å; K27-R29 PolarHBondContact O-N 3.25Å; R29-Q32 PolarHBondContact O-N 2.69Å; R29-K33 WeakPolarHBondContact O-CB 3.28Å; R29-K33 WeakPolarHBondContact O-CG 3.39Å; R29-K33 PolarHBondContact O-N 3.1Å; R29-N46 HydrophobicContact CG-CB 4.08Å
30T93.2Very high93.1Very high67 Ų6772.4 Ų72.441%0.41138%0.377SS..Hα-helixtrans-65.8-44.1177.5-45.70000110.6H23 K27 Q32 K33 D34H23-T30 WeakPolarHBondContact ND1-CG2 3.33Å; K27-T30 WeakPolarHBondContact O-CB 3.5Å; K27-T30 PolarHBondContact O-N 3.23Å; T30-Q32 VanDerWaalsContact C-N 3.35Å; T30-Q32 PolarHBondContact O-N 2.99Å; T30-K33 PolarHBondContact O-N 2.64Å; T30-D34 PolarHBondContact O-N 2.84Å
31I94.6Very high93Very high0 Ų071.9 Ų71.90%037%0.374CS..Hα-helixtrans-61.8-43.5175.9-65.2166000111G19 V20 H23 K27 W28 K33 D34 F37 L41 L49G19-I31 WeakPolarHBondContact O-CG1 3.39Å; V20-I31 HydrophobicContact CB-CD1 4.49Å; V20-I31 HydrophobicContact CG2-CD1 3.74Å; H23-I31 HydrophobicContact CB-CD1 4.39Å; H23-I31 HydrophobicContact CB-CG1 3.82Å; K27-I31 WeakPolarHBondContact O-CG1 3.45Å; K27-I31 PolarHBondContact O-N 3.48Å; W28-I31 HydrophobicContact CE3-CD1 4.04Å; W28-I31 HydrophobicContact CZ3-CD1 4.16Å; W28-I31 PolarHBondContact O-N 3.33Å; I31-K33 VanDerWaalsContact C-N 3.3Å; I31-K33 PolarHBondContact O-N 3.01Å; I31-D34 PolarHBondContact O-N 2.93Å; I31-F37 HydrophobicContact CG2-CD2 4.45Å; I31-L41 HydrophobicContact CG2-CD1 3.76Å; I31-L49 HydrophobicContact CB-CD2 4.45Å; I31-L49 HydrophobicContact CG2-CD2 4.08Å
32Q92.9Very high92.7Very high34 Ų3466 Ų6616%0.15936%0.362CS..Hα-helixtrans-65.6-31.3178.4-168.6-16826.800112.9W28 R29 T30 S38 R44 L49W28-Q32 VanDerWaalsContact O-CB 3.28Å; W28-Q32 WeakPolarHBondContact O-CB 3.44Å; W28-Q32 PolarHBondContact O-N 3.24Å; R29-Q32 PolarHBondContact O-N 2.69Å; T30-Q32 VanDerWaalsContact C-N 3.35Å; T30-Q32 PolarHBondContact O-N 2.99Å; Q32-S38 WeakPolarHBondContact O-CA 3.46Å; Q32-R44 PolarHBondContact NE2-O 3.5Å; Q32-L49 HydrophobicContact CB-CD2 4.14Å
33K91.8Very high92.4Very high160 Ų16064.9 Ų64.970%0.69637%0.368SS*.Hα-helixtrans-95.2-7.2-178.3-68.7-66-178.7-173.80114.1R29 T30 I31R29-K33 WeakPolarHBondContact O-CB 3.28Å; R29-K33 WeakPolarHBondContact O-CG 3.39Å; R29-K33 PolarHBondContact O-N 3.1Å; T30-K33 PolarHBondContact O-N 2.64Å; I31-K33 VanDerWaalsContact C-N 3.3Å; I31-K33 PolarHBondContact O-N 3.01Å
34D93.1Very high92.2Very high14 Ų1463.7 Ų63.78%0.07536%0.362CS..SBendtrans-62.1129177.7-169.2-53.1000109.7K22 H23 T30 I31 E36 F37 S38K22-D34 WeakPolarHBondContact CE-OD2 3.36Å; K22-D34 IonicContact NZ-OD1 3.99Å; K22-D34 PolarHBondContact NZ-OD1 3.24Å; K22-D34 IonicContact NZ-OD2 3.42Å; K22-D34 PolarHBondContact NZ-OD2 3.42Å; H23-D34 IonicContact CD2-OD2 2.73Å; H23-D34 IonicContact CE1-OD2 3.17Å; H23-D34 IonicContact NE2-OD2 2.76Å; H23-D34 PolarHBondContact NE2-OD2 3.06Å; T30-D34 PolarHBondContact O-N 2.84Å; I31-D34 PolarHBondContact O-N 2.93Å; D34-E36 PolarHBondContact O-N 3.41Å; D34-E36 VanDerWaalsContact O-N 3.08Å; D34-E36 WeakPolarHBondContact OD1-CB 3.47Å; D34-E36 PolarHBondContact OD1-N 3.02Å; D34-F37 HydrophobicContact CB-CD2 3.77Å; D34-F37 HydrophobicContact CB-CE2 4.37Å; D34-F37 PolarHBondContact O-N 3.24Å; D34-F37 VanDerWaalsContact O-N 3.14Å; D34-S38 WeakPolarHBondContact O-CA 3.4Å; D34-S38 WeakPolarHBondContact O-CB 3.26Å; D34-S38 PolarHBondContact O-N 3.09Å
35P92.9Very high92.1Very high116 Ų11664.2 Ų64.275%0.75336%0.361SS*.THydrogen-bonded Turntrans-51.9-29.3177.7-27.835.2000114.9P39P35-P39 WeakPolarHBondContact O-CD 3.35Å
36E91.4Very high92.2Very high125 Ų12563.4 Ų63.458%0.58435%0.347SS*.THydrogen-bonded Turntrans-75.8-36.8-179.6-66.6-177.2156.900112.9K22 D34K22-E36 VanDerWaalsContact NZ-CD 3.3Å; K22-E36 IonicContact NZ-OE1 2.67Å; K22-E36 IonicContact NZ-OE2 2.87Å; K22-E36 PolarHBondContact NZ-OE2 3.29Å; D34-E36 PolarHBondContact O-N 3.41Å; D34-E36 VanDerWaalsContact O-N 3.08Å; D34-E36 WeakPolarHBondContact OD1-CB 3.47Å; D34-E36 PolarHBondContact OD1-N 3.02Å
37F93Very high92.1Very high19 Ų1966.3 Ų66.38%0.08335%0.35CS..THydrogen-bonded Turntrans-106.6-18.9-174.4-45.6-58.5000113.1A15 A18 K22 I31 D34 P39 V40 L41A15-F37 HydrophobicContact CB-CB 4.43Å; A15-F37 HydrophobicContact CB-CD1 4.05Å; A18-F37 HydrophobicContact CB-CD1 4.47Å; A18-F37 HydrophobicContact CB-CE1 3.54Å; A18-F37 HydrophobicContact CB-CZ 3.87Å; K22-F37 HydrophobicContact CB-CE2 4.38Å; K22-F37 HydrophobicContact CD-CE2 3.82Å; K22-F37 HydrophobicContact CD-CZ 4.13Å; I31-F37 HydrophobicContact CG2-CD2 4.45Å; D34-F37 HydrophobicContact CB-CD2 3.77Å; D34-F37 HydrophobicContact CB-CE2 4.37Å; D34-F37 PolarHBondContact O-N 3.24Å; D34-F37 VanDerWaalsContact O-N 3.14Å; F37-P39 VanDerWaalsContact C-CD 3.42Å; F37-V40 PolarHBondContact O-N 2.93Å; F37-V40 VanDerWaalsContact O-N 3.14Å; F37-L41 HydrophobicContact CB-CD1 3.74Å; F37-L41 HydrophobicContact CB-CG 4.25Å; F37-L41 WeakPolarHBondContact O-CB 3.43Å; F37-L41 WeakPolarHBondContact O-CG 3.32Å; F37-L41 PolarHBondContact O-N 3.47Å
38S90.3Very high92.1Very high33 Ų3364 Ų6423%0.23134%0.344CS..Hα-helixtrans-53.1-42.7178.7173.90000113.1Q32 D34 V40 S42Q32-S38 WeakPolarHBondContact O-CA 3.46Å; D34-S38 WeakPolarHBondContact O-CA 3.4Å; D34-S38 WeakPolarHBondContact O-CB 3.26Å; D34-S38 PolarHBondContact O-N 3.09Å; S38-V40 PolarHBondContact O-N 3.36Å; S38-S42 WeakPolarHBondContact O-CA 3.49Å; S38-S42 WeakPolarHBondContact O-CB 3.37Å; S38-S42 PolarHBondContact O-N 3.36Å; S38-S42 PolarHBondContact O-OG 2.99Å; S38-S42 PolarHBondContact OG-OG 2.91Å; S38-S42 VanDerWaalsContact OG-OG 3.1Å
39P92Very high92Very high105 Ų10562.6 Ų62.668%0.68234%0.339SS*.Hα-helixtrans-59.1-35.7179-24.334.5000113.4P35 F37P35-P39 WeakPolarHBondContact O-CD 3.35Å; F37-P39 VanDerWaalsContact C-CD 3.42Å
40V91.9Very high92Very high28 Ų2859.8 Ų59.817%0.1733%0.331CS..Hα-helixtrans-89.1-42.9-177-175.90000111.1E11 E12 A15 F37 S38 S43E11-V40 HydrophobicContact CB-CG1 4.45Å; E11-V40 HydrophobicContact CG-CG1 3.96Å; E11-V40 HydrophobicContact CG-CG2 4.14Å; E12-V40 HydrophobicContact CB-CG1 4.19Å; E12-V40 HydrophobicContact CG-CG1 3.66Å; A15-V40 HydrophobicContact CB-CB 4.23Å; A15-V40 HydrophobicContact CB-CG1 4.14Å; F37-V40 PolarHBondContact O-N 2.93Å; F37-V40 VanDerWaalsContact O-N 3.14Å; S38-V40 PolarHBondContact O-N 3.36Å; V40-S43 PolarHBondContact O-OG 3.35Å
41L91.9Very high92Very high0 Ų060.1 Ų60.10%033%0.33CS..Hα-helixtrans-92.4-8.2-173-59.7-179000114.1W8 E12 A15 I31 F37 S43 R44 L49W8-L41 HydrophobicContact CZ3-CD2 4.25Å; E12-L41 HydrophobicContact CB-CD2 4.32Å; A15-L41 HydrophobicContact CB-CD1 4.29Å; A15-L41 HydrophobicContact CB-CD2 4.24Å; A15-L41 HydrophobicContact CB-CG 4.11Å; I31-L41 HydrophobicContact CG2-CD1 3.76Å; F37-L41 HydrophobicContact CB-CD1 3.74Å; F37-L41 HydrophobicContact CB-CG 4.25Å; F37-L41 WeakPolarHBondContact O-CB 3.43Å; F37-L41 WeakPolarHBondContact O-CG 3.32Å; F37-L41 PolarHBondContact O-N 3.47Å; L41-S43 PolarHBondContact O-N 2.95Å; L41-R44 WeakPolarHBondContact O-CB 3.36Å; L41-R44 PolarHBondContact O-N 3.34Å; L41-L49 HydrophobicContact CD1-CD2 4.03Å
42S88.3Confident91.9Very high70 Ų7061.7 Ų61.749%0.4934%0.337SS..THydrogen-bonded Turntrans-63-24.4177.8-79.20000113.3S38 R44S38-S42 WeakPolarHBondContact O-CA 3.49Å; S38-S42 WeakPolarHBondContact O-CB 3.37Å; S38-S42 PolarHBondContact O-N 3.36Å; S38-S42 PolarHBondContact O-OG 2.99Å; S38-S42 PolarHBondContact OG-OG 2.91Å; S38-S42 VanDerWaalsContact OG-OG 3.1Å; S42-R44 PolarHBondContact O-N 3.08Å
43S88.1Confident92Very high82 Ų8262.9 Ų62.957%0.57334%0.34SS*.THydrogen-bonded Turntrans-71.3-16.4173.767.60000112.9E12 V40 L41E12-S43 PolarHBondContact OE1-OG 2.9Å; V40-S43 PolarHBondContact O-OG 3.35Å; L41-S43 PolarHBondContact O-N 2.95Å
44R89.8Confident91.9Very high16 Ų1661.9 Ų61.96%0.0633%0.332CS..SBendtrans-107.7145.8-177.9-59-57.5-177.7153.55.6111.1Q6 K7 W8 E12 Q32 L41 S42 D48 L49Q6-R44 VanDerWaalsContact CB-NH1 3.31Å; Q6-R44 PolarHBondContact O-NH1 2.98Å; Q6-R44 PolarHBondContact O-NH2 3.26Å; K7-R44 VanDerWaalsContact C-NH2 3.26Å; K7-R44 PolarHBondContact O-NH2 2.99Å; W8-R44 HydrophobicContact CH2-CG 4.3Å; W8-R44 HydrophobicContact CZ2-CG 4.38Å; E12-R44 IonicContact OE1-CZ 2.8Å; E12-R44 IonicContact OE1-NE 3.41Å; E12-R44 PolarHBondContact OE1-NE 3.44Å; E12-R44 IonicContact OE1-NH2 3.49Å; E12-R44 PolarHBondContact OE1-NH2 2.75Å; E12-R44 IonicContact OE2-CZ 3.45Å; E12-R44 IonicContact OE2-NE 3.64Å; E12-R44 IonicContact OE2-NH2 3.34Å; E12-R44 PolarHBondContact OE2-NH2 3.29Å; Q32-R44 PolarHBondContact NE2-O 3.5Å; L41-R44 WeakPolarHBondContact O-CB 3.36Å; L41-R44 PolarHBondContact O-N 3.34Å; S42-R44 PolarHBondContact O-N 3.08Å; R44-D48 HydrophobicContact CB-CB 4.27Å; R44-L49 HydrophobicContact CB-CD1 3.45Å; R44-L49 VanDerWaalsContact CB-CD1 3.45Å; R44-L49 HydrophobicContact CG-CD1 4.44Å
45S91.8Very high91.8Very high41 Ų4165.8 Ų65.829%0.28735%0.353SS..  trans-77.7153.9172.7174.20000111.4I47 D48 L49S45-I47 PolarHBondContact O-N 2.81Å; S45-I47 PolarHBondContact OG-N 2.99Å; S45-D48 VanDerWaalsContact CB-OD2 3.31Å; S45-D48 WeakPolarHBondContact CB-OD2 3.22Å; S45-D48 PolarHBondContact N-OD2 3.32Å; S45-D48 WeakPolarHBondContact O-CA 3.25Å; S45-D48 WeakPolarHBondContact O-CB 3.27Å; S45-D48 PolarHBondContact O-N 2.96Å; S45-L49 WeakPolarHBondContact O-CD1 3.45Å; S45-L49 PolarHBondContact O-N 2.88Å
46N92.3Very high91.5Very high47 Ų4761.9 Ų61.925%0.25133%0.326SS..Hα-helixtrans-56.1-25.2170.377.2-68.1000112.5W28 R29 K50W28-N46 HydrophobicContact CB-CB 3.95Å; R29-N46 HydrophobicContact CG-CB 4.08Å; N46-K50 PolarHBondContact O-N 3.33Å
47I92.1Very high91.1Very high108 Ų10857.5 Ų57.555%0.55431%0.309SS*.Hα-helixtrans-70.7-42.8173.3-60.6167.1000110.8S45 L49 K50 D51S45-I47 PolarHBondContact O-N 2.81Å; S45-I47 PolarHBondContact OG-N 2.99Å; I47-L49 VanDerWaalsContact C-N 3.34Å; I47-K50 WeakPolarHBondContact O-CB 3.49Å; I47-K50 PolarHBondContact O-N 3.34Å; I47-D51 PolarHBondContact O-N 3.1Å
48D92.9Very high89.9Confident69 Ų6963.1 Ų63.137%0.36933%0.334SS..Hα-helixtrans-63.2-42.9178.1-60.7-43.8000110.8W8 R44 S45 K50 D51 K52W8-D48 HydrophobicContact CZ2-CB 4.16Å; R44-D48 HydrophobicContact CB-CB 4.27Å; S45-D48 VanDerWaalsContact CB-OD2 3.31Å; S45-D48 WeakPolarHBondContact CB-OD2 3.22Å; S45-D48 PolarHBondContact N-OD2 3.32Å; S45-D48 WeakPolarHBondContact O-CA 3.25Å; S45-D48 WeakPolarHBondContact O-CB 3.27Å; S45-D48 PolarHBondContact O-N 2.96Å; D48-K50 VanDerWaalsContact C-N 3.31Å; D48-K50 PolarHBondContact O-N 3.31Å; D48-D51 PolarHBondContact O-N 2.8Å; D48-K52 VanDerWaalsContact O-CB 3.22Å; D48-K52 WeakPolarHBondContact O-CB 3.38Å; D48-K52 PolarHBondContact O-N 2.77Å
49L93.9Very high88.5Confident0 Ų065 Ų650%035%0.347CS..Hα-helixtrans-57.7-45.3175.5-85.863.7000110.9W8 L16 W28 I31 Q32 L41 R44 S45 I47 W53W8-L49 HydrophobicContact CH2-CD1 4.14Å; W8-L49 HydrophobicContact CH2-CG 4.35Å; L16-L49 HydrophobicContact CD1-CB 4.07Å; L16-L49 HydrophobicContact CD1-CD2 4.32Å; L16-L49 HydrophobicContact CD1-CG 3.96Å; W28-L49 HydrophobicContact CE3-CB 4.11Å; I31-L49 HydrophobicContact CB-CD2 4.45Å; I31-L49 HydrophobicContact CG2-CD2 4.08Å; Q32-L49 HydrophobicContact CB-CD2 4.14Å; L41-L49 HydrophobicContact CD1-CD2 4.03Å; R44-L49 HydrophobicContact CB-CD1 3.45Å; R44-L49 VanDerWaalsContact CB-CD1 3.45Å; R44-L49 HydrophobicContact CG-CD1 4.44Å; S45-L49 WeakPolarHBondContact O-CD1 3.45Å; S45-L49 PolarHBondContact O-N 2.88Å; I47-L49 VanDerWaalsContact C-N 3.34Å; L49-W53 VanDerWaalsContact O-CB 3.27Å; L49-W53 WeakPolarHBondContact O-CB 2.99Å; L49-W53 PolarHBondContact O-N 2.76Å
50K93.9Very high86.9Confident121 Ų12164.2 Ų64.253%0.52635%0.349SS..Hα-helixtrans-60.9-50.7177.4-172.7-176.786.1175.30111.7W28 N46 I47 D48 W53 R54W28-K50 HydrophobicContact CD2-CB 4.15Å; W28-K50 HydrophobicContact CG-CB 4.17Å; W28-K50 HydrophobicContact CZ2-CB 4.47Å; W28-K50 HydrophobicContact CZ2-CG 4.23Å; N46-K50 PolarHBondContact O-N 3.33Å; I47-K50 WeakPolarHBondContact O-CB 3.49Å; I47-K50 PolarHBondContact O-N 3.34Å; D48-K50 VanDerWaalsContact C-N 3.31Å; D48-K50 PolarHBondContact O-N 3.31Å; K50-W53 PolarHBondContact O-N 3.17Å; K50-R54 PolarHBondContact O-N 3.35Å
51D93Very high84.9Confident74 Ų7466.9 Ų66.940%0.39637%0.369SS..Hα-helixtrans-68.7-38.1-176.9-170.160.6000111.7I47 D48 R54 N55I47-D51 PolarHBondContact O-N 3.1Å; D48-D51 PolarHBondContact O-N 2.8Å; D51-R54 WeakPolarHBondContact O-CB 3.35Å; D51-R54 PolarHBondContact O-N 3.38Å; D51-R54 IonicContact OD1-CZ 2.75Å; D51-R54 IonicContact OD1-NE 2.91Å; D51-R54 PolarHBondContact OD1-NE 3.48Å; D51-R54 IonicContact OD1-NH2 2.77Å; D51-R54 PolarHBondContact OD1-NH2 2.84Å; D51-N55 PolarHBondContact O-N 2.9Å; D51-N55 PolarHBondContact O-ND2 3.35Å
52K92.8Very high82.8Confident34 Ų3470.4 Ų70.415%0.14841%0.405CS..Hα-helixtrans-63.4-45.5173.6-177.965.3168.3-166.70112W8 E13 L16 D48 R54 N55 L56W8-K52 HydrophobicContact CB-CD 4.4Å; W8-K52 HydrophobicContact CD2-CB 4.09Å; W8-K52 HydrophobicContact CD2-CD 3.54Å; W8-K52 VanDerWaalsContact CD2-CE 3.49Å; W8-K52 HydrophobicContact CD2-CG 3.48Å; W8-K52 VanDerWaalsContact CD2-CG 3.48Å; W8-K52 VanDerWaalsContact CE2-CB 3.42Å; W8-K52 HydrophobicContact CE3-CB 4.46Å; W8-K52 HydrophobicContact CE3-CD 4.13Å; W8-K52 HydrophobicContact CE3-CG 3.69Å; W8-K52 HydrophobicContact CG-CD 3.62Å; W8-K52 HydrophobicContact CG-CG 4.14Å; W8-K52 VanDerWaalsContact CG-NZ 3.34Å; W8-K52 HydrophobicContact CH2-CB 3.68Å; W8-K52 HydrophobicContact CH2-CG 3.75Å; W8-K52 HydrophobicContact CZ2-CB 3.2Å; W8-K52 HydrophobicContact CZ2-CD 4.3Å; W8-K52 HydrophobicContact CZ2-CG 3.55Å; W8-K52 HydrophobicContact CZ3-CB 4.27Å; W8-K52 HydrophobicContact CZ3-CG 3.81Å; E13-K52 VanDerWaalsContact OE1-CE 3.26Å; E13-K52 WeakPolarHBondContact OE1-CE 3.33Å; E13-K52 IonicContact OE1-NZ 3.65Å; E13-K52 PolarHBondContact OE1-NZ 3.44Å; L16-K52 HydrophobicContact CD2-CB 3.84Å; L16-K52 HydrophobicContact CD2-CG 3.62Å; D48-K52 VanDerWaalsContact O-CB 3.22Å; D48-K52 WeakPolarHBondContact O-CB 3.38Å; D48-K52 PolarHBondContact O-N 2.77Å; K52-R54 VanDerWaalsContact C-N 3.26Å; K52-R54 PolarHBondContact O-N 3.03Å; K52-N55 PolarHBondContact O-N 3.2Å; K52-N55 VanDerWaalsContact O-N 3.11Å; K52-L56 HydrophobicContact CD-CD1 4.34Å; K52-L56 HydrophobicContact CD-CG 4.45Å; K52-L56 HydrophobicContact CG-CD1 3.83Å; K52-L56 HydrophobicContact CG-CG 4.36Å; K52-L56 WeakPolarHBondContact O-CG 3.36Å; K52-L56 PolarHBondContact O-N 2.73Å
53W93.8Very high81.1Confident58 Ų5875.3 Ų75.322%0.2243%0.425CS..Hα-helixtrans-59-42.4177.7-179.3-102.6000111.1L16 R17 V20 W28 L49 K50 N55 L56 S57L16-W53 HydrophobicContact CD2-CB 4.35Å; L16-W53 HydrophobicContact CG-CE3 4.23Å; R17-W53 HydrophobicContact CG-CZ3 4.2Å; V20-W53 HydrophobicContact CB-CD2 4.34Å; V20-W53 HydrophobicContact CB-CE3 4.04Å; V20-W53 HydrophobicContact CB-CH2 3.73Å; V20-W53 HydrophobicContact CB-CZ2 4.08Å; V20-W53 HydrophobicContact CB-CZ3 3.71Å; V20-W53 HydrophobicContact CG1-CD2 4.17Å; V20-W53 HydrophobicContact CG1-CE3 4.27Å; V20-W53 HydrophobicContact CG1-CH2 3.41Å; V20-W53 VanDerWaalsContact CG1-CH2 3.41Å; V20-W53 HydrophobicContact CG1-CZ2 3.31Å; V20-W53 HydrophobicContact CG1-CZ3 3.91Å; V20-W53 HydrophobicContact CG2-CD2 3.79Å; V20-W53 HydrophobicContact CG2-CE3 3.62Å; V20-W53 HydrophobicContact CG2-CG 4.4Å; V20-W53 HydrophobicContact CG2-CH2 4.22Å; V20-W53 HydrophobicContact CG2-CZ2 4.4Å; V20-W53 HydrophobicContact CG2-CZ3 3.84Å; W28-W53 HydrophobicContact CH2-CB 3.5Å; W28-W53 VanDerWaalsContact CH2-CB 3.5Å; W28-W53 AromaticContact CH2-CD1 3.43Å; W28-W53 VanDerWaalsContact CH2-CD1 3.43Å; W28-W53 HydrophobicContact CH2-CD2 4.22Å; W28-W53 AromaticContact CH2-CG 3.39Å; W28-W53 HydrophobicContact CH2-CG 3.39Å; W28-W53 HydrophobicContact CZ2-CB 4.31Å; W28-W53 HydrophobicContact CZ2-CG 4.33Å; W28-W53 HydrophobicContact CZ3-CB 3.79Å; W28-W53 AromaticContact CZ3-CG 3.95Å; W28-W53 HydrophobicContact CZ3-CG 3.95Å; L49-W53 VanDerWaalsContact O-CB 3.27Å; L49-W53 WeakPolarHBondContact O-CB 2.99Å; L49-W53 PolarHBondContact O-N 2.76Å; K50-W53 PolarHBondContact O-N 3.17Å; W53-N55 VanDerWaalsContact C-N 3.29Å; W53-N55 PolarHBondContact O-N 3.36Å; W53-L56 CarbonylContact O-C 3.6Å; W53-L56 PolarHBondContact O-N 3.32Å; W53-L56 VanDerWaalsContact O-N 3.09Å; W53-S57 WeakPolarHBondContact O-CB 3.43Å; W53-S57 PolarHBondContact O-N 2.79Å; W53-S57 PolarHBondContact O-OG 2.85Å; W53-S57 VanDerWaalsContact O-OG 3.11Å
54R91.6Very high79Confident140 Ų14073.4 Ų73.453%0.52842%0.419SS..Hα-helixtrans-55.1-45.8175.3-175.5176.867.9131.2-0.1111.7K50 D51 K52 S57 F58K50-R54 PolarHBondContact O-N 3.35Å; D51-R54 WeakPolarHBondContact O-CB 3.35Å; D51-R54 PolarHBondContact O-N 3.38Å; D51-R54 IonicContact OD1-CZ 2.75Å; D51-R54 IonicContact OD1-NE 2.91Å; D51-R54 PolarHBondContact OD1-NE 3.48Å; D51-R54 IonicContact OD1-NH2 2.77Å; D51-R54 PolarHBondContact OD1-NH2 2.84Å; K52-R54 VanDerWaalsContact C-N 3.26Å; K52-R54 PolarHBondContact O-N 3.03Å; R54-S57 PolarHBondContact O-OG 3.23Å; R54-S57 VanDerWaalsContact O-OG 3.14Å; R54-F58 HydrophobicContact CG-CD2 4.21Å; R54-F58 HydrophobicContact CG-CE2 3.6Å; R54-F58 WeakPolarHBondContact O-CD2 3.49Å; R54-F58 PolarHBondContact O-N 3.14Å
55N90.5Very high76.6Confident95 Ų9578.1 Ų78.151%0.50845%0.454SS..Hα-helixtrans-66.3-38.3176.6-69.2-67.6000112.7D51 K52 W53D51-N55 PolarHBondContact O-N 2.9Å; D51-N55 PolarHBondContact O-ND2 3.35Å; K52-N55 PolarHBondContact O-N 3.2Å; K52-N55 VanDerWaalsContact O-N 3.11Å; W53-N55 VanDerWaalsContact C-N 3.29Å; W53-N55 PolarHBondContact O-N 3.36Å
56L87.2Confident74.3Confident34 Ų3480.5 Ų80.518%0.17847%0.471CS..Hα-helixtrans-71.2-41.4178.9-74.3168.1000112.8L16 K52 W53 F58 S59 A60L16-L56 HydrophobicContact CD2-CD1 3.94Å; K52-L56 HydrophobicContact CD-CD1 4.34Å; K52-L56 HydrophobicContact CD-CG 4.45Å; K52-L56 HydrophobicContact CG-CD1 3.83Å; K52-L56 HydrophobicContact CG-CG 4.36Å; K52-L56 WeakPolarHBondContact O-CG 3.36Å; K52-L56 PolarHBondContact O-N 2.73Å; W53-L56 CarbonylContact O-C 3.6Å; W53-L56 PolarHBondContact O-N 3.32Å; W53-L56 VanDerWaalsContact O-N 3.09Å; L56-F58 VanDerWaalsContact C-N 3.32Å; L56-F58 PolarHBondContact O-N 2.81Å; L56-S59 WeakPolarHBondContact O-CB 3.41Å; L56-S59 PolarHBondContact O-N 3.43Å; L56-A60 PolarHBondContact O-N 3.4Å; L56-A60 VanDerWaalsContact O-N 3.16Å
57S82.5Confident72.1Confident34 Ų3486.9 Ų86.924%0.23850%0.496CS..Hα-helixtrans-66.6-33.6-176.562.20000112W53 R54 S59 A60 S61W53-S57 WeakPolarHBondContact O-CB 3.43Å; W53-S57 PolarHBondContact O-N 2.79Å; W53-S57 PolarHBondContact O-OG 2.85Å; W53-S57 VanDerWaalsContact O-OG 3.11Å; R54-S57 PolarHBondContact O-OG 3.23Å; R54-S57 VanDerWaalsContact O-OG 3.14Å; S57-S59 VanDerWaalsContact C-N 3.28Å; S57-S59 PolarHBondContact O-N 3.5Å; S57-A60 PolarHBondContact O-N 2.95Å; S57-S61 PolarHBondContact O-N 3.47Å; S57-S61 PolarHBondContact O-OG 2.87Å
58F67.4Low70.1Confident136 Ų13689.3 Ų89.360%0.59651%0.509SS*.Hα-helixtrans-67.7-27.9172.5-72.4-59.6000113.2R54 L56R54-F58 HydrophobicContact CG-CD2 4.21Å; R54-F58 HydrophobicContact CG-CE2 3.6Å; R54-F58 WeakPolarHBondContact O-CD2 3.49Å; R54-F58 PolarHBondContact O-N 3.14Å; L56-F58 VanDerWaalsContact C-N 3.32Å; L56-F58 PolarHBondContact O-N 2.81Å
59S60.8Low67.8Low73 Ų7396.6 Ų96.651%0.5153%0.532SS..Hα-helixtrans-77.3-27.7175.7-164.30000112.4L56 S57L56-S59 WeakPolarHBondContact O-CB 3.41Å; L56-S59 PolarHBondContact O-N 3.43Å; S57-S59 VanDerWaalsContact C-N 3.28Å; S57-S59 PolarHBondContact O-N 3.5Å
60A58.7Low65.4Low89 Ų89102.6 Ų102.674%0.73657%0.568SS**Hα-helixtrans-76.2-27.3176.800000112.8L56 S57 G62L56-A60 PolarHBondContact O-N 3.4Å; L56-A60 VanDerWaalsContact O-N 3.16Å; S57-A60 PolarHBondContact O-N 2.95Å; A60-G62 VanDerWaalsContact C-N 3.25Å; A60-G62 PolarHBondContact O-N 2.76Å
61S50Low63.3Low84 Ų84102 Ų10259%0.58758%0.577SS**THydrogen-bonded Turntrans-81.922.4-178.1-57.20000115.6S57 L63S57-S61 PolarHBondContact O-N 3.47Å; S57-S61 PolarHBondContact O-OG 2.87Å; S61-L63 PolarHBondContact O-N 3.47Å
62G48.3Very low60.6Low73 Ų73107 Ų10775%0.75360%0.595SS**THydrogen-bonded Turntrans65.95.2164.600000118A60A60-G62 VanDerWaalsContact C-N 3.25Å; A60-G62 PolarHBondContact O-N 2.76Å
63L52.3Low58.8Low173 Ų173113.3 Ų113.391%0.90663%0.629SS**  trans-120.35.7-176.5-81.1145.4000114S61S61-L63 PolarHBondContact O-N 3.47Å
64G42.8Very low56.4Low43 Ų43116 Ų11644%0.44365%0.651SS.*SBendtrans-106.4101.5-176.500000113.6S66G64-S66 PolarHBondContact O-N 2.94Å
65S40.1Very low53.8Low114 Ų114112.9 Ų112.980%0.79766%0.663SS**  trans-29.493.7168.7-168.30000115.5K67S65-K67 VanDerWaalsContact C-N 3.34Å; S65-K67 PolarHBondContact O-N 3.47Å
66S42.3Very low51.6Low91 Ų91114.5 Ų114.564%0.63668%0.679SS**  trans-86.285.1157-77.40000108.2G64 L68G64-S66 PolarHBondContact O-N 2.94Å; S66-L68 PolarHBondContact O-N 2.89Å
67K47.5Very low49.4Very low182 Ų182118 Ų11879%0.79171%0.706SS**  trans-63.184.8161.8-160.3169-164.9165.60106.8S65 R69S65-K67 VanDerWaalsContact C-N 3.34Å; S65-K67 PolarHBondContact O-N 3.47Å; K67-R69 PolarHBondContact O-N 3.48Å
68L50.4Low47.7Very low158 Ų158121.1 Ų121.183%0.82773%0.728SS**  trans-62.492.2164.8-69.9179.8000106.9S66 V70S66-L68 PolarHBondContact O-N 2.89Å; L68-V70 PolarHBondContact O-N 2.93Å; L68-V70 VanDerWaalsContact O-N 3.12Å
69R43.7Very low46.8Very low223 Ų223120 Ų12084%0.84274%0.737SS**  trans-58.9108.2157.4-81.7-179.8-171.2165.43.1106.4K67 P71K67-R69 PolarHBondContact O-N 3.48Å; R69-P71 VanDerWaalsContact O-CD 3.28Å; R69-P71 WeakPolarHBondContact O-CD 3.27Å
70V43.8Very low46.2Very low126 Ų126122.3 Ų122.376%0.76475%0.75SS**  trans-61.4120.5159174.50000107.4L68 K72L68-V70 PolarHBondContact O-N 2.93Å; L68-V70 VanDerWaalsContact O-N 3.12Å; V70-K72 PolarHBondContact O-N 3.25Å
71P49.8Very low45.5Very low109 Ų109124 Ų12471%0.70876%0.757SS**  trans-69.9110.4166.1-1430.4000108.4R69 I73R69-P71 VanDerWaalsContact O-CD 3.28Å; R69-P71 WeakPolarHBondContact O-CD 3.27Å; P71-I73 PolarHBondContact O-N 2.94Å
72K35.8Very low45.5Very low178 Ų178125.6 Ų125.677%0.77477%0.767SS**  trans-67.3104.8167177.4124.5175.4169.70108V70 T74V70-K72 PolarHBondContact O-N 3.25Å; K72-T74 HydrophobicContact CD-CG2 4.43Å; K72-T74 HydrophobicContact CG-CG2 4.06Å
73I54.6Low45.8Very low167 Ų167127.2 Ų127.286%0.85677%0.767SS**  trans-100.8101.9166.3-21.7177.1000107.1P71P71-I73 PolarHBondContact O-N 2.94Å
74T44.6Very low45.5Very low114 Ų114123.6 Ų123.670%0.69976%0.756SS**  trans-98.9126.5168.1360000108.3K72K72-T74 HydrophobicContact CD-CG2 4.43Å; K72-T74 HydrophobicContact CG-CG2 4.06Å
75G37.7Very low46.3Very low74 Ų74129.8 Ų129.876%0.76377%0.774SS**  trans150.3106.5166.200000113.7
76P43.1Very low46.5Very low130 Ų130129.1 Ų129.184%0.84477%0.767SS**  trans-93.2144.5-178.836.2-29000111.1
77S41.2Very low46.7Very low108 Ų108132.1 Ų132.176%0.75578%0.775SS**  trans-179.3128.5148.2-164.50000111.3
78S46.3Very low46.5Very low99 Ų99130.8 Ų130.869%0.69278%0.776SS**  trans47.7134.6140.862.60000119.8
79S48.9Very low46.2Very low113 Ų113130.8 Ų130.879%0.7978%0.776SS**  cis176.7164.44.532.80000106.2
80P48.2Very low46.4Very low120 Ų120125.4 Ų125.478%0.77977%0.77SS**  trans-110.7160.3-151.139.8-31.2000115.6
81S44.9Very low46.3Very low126 Ų126124.1 Ų124.188%0.88177%0.772SS**  trans169143.2159.454.50000108.4
82S50Low46.1Very low116 Ų116122.9 Ų122.981%0.81177%0.771SS**  cis-172.4162.76.1-166.30000108.4
83S52.9Low46.5Very low108 Ų108122.3 Ų122.376%0.75578%0.777SS**  trans82.6126.2157-148.20000117
84S47.9Very low45.8Very low96 Ų96123.5 Ų123.567%0.67178%0.775SS**  cis-171.6123.610.1-95.70000107.6
85Q58Low45.5Very low174 Ų174127.6 Ų127.681%0.81378%0.784SS**  91.4150.2100-74.7-90.1-16.700113.9
86P46Very low45.7Very low100 Ų100129.4 Ų129.465%0.64978%0.78SS**  -129.7-172.2-108.533.3-11.5000113.3
87L44.7Very low45.3Very low153 Ų153132.3 Ų132.380%0.80178%0.783SS**  trans177.4114.1138.6-88.9165000112.4
88L43.9Very low45.2Very low155 Ų155131.4 Ų131.481%0.81278%0.782SS**  trans80.6127.4140.3-53.5174.4000123.6
89L44.3Very low44.8Very low158 Ų158132.8 Ų132.883%0.82779%0.786SS**  trans-91.6-167.5-169.5-84.594.4000114.1
90P48.9Very low44.4Very low110 Ų110135.2 Ų135.271%0.71479%0.789SS**  cis-140.6-178.5-33.230.5-9.5000116.4
91A41.1Very low44.3Very low99 Ų99135.1 Ų135.182%0.81879%0.788SS**  trans81.7145.6142.400000119.2
92A45.4Very low44Very low83 Ų83133.8 Ų133.869%0.68679%0.785SS**  cis-170.6143.9-13.700000108
93N45Very low43.6Very low166 Ų166135.7 Ų135.789%0.88879%0.786SS**  trans148.3129.2134.4-80.5-1.3000114.6
94K37.9Very low43Very low191 Ų191134.2 Ų134.283%0.8378%0.781SS**  trans-94.6151.1177.9-63.1173.4174.4-179.50110.5
95F39.8Very low42.8Very low200 Ų200137.2 Ų137.288%0.87778%0.784SS**  trans-164.799.8150.9-107.3-84.5000106.2
96T40.7Very low41.9Very low112 Ų112137 Ų13769%0.68778%0.781SS**  35.7102.481.254.70000114.4
97E34.3Very low41.5Very low192 Ų192141.5 Ų141.590%0.89779%0.79SS**  80.911489.9-174.2172.4122.400113.7
98A41Very low41.3Very low89 Ų89138.5 Ų138.574%0.73678%0.78SS**  trans168.9149.2152.400000107.8
99T37.6Very low41Very low128 Ų128139.6 Ų139.679%0.78578%0.781SS**  cis-179.9134.7-10.4-85.80000103.8
100L40.6Very low40.7Very low164 Ų164137.3 Ų137.386%0.85977%0.769SS**  trans-76.9155.4171.4-70.5165.7000111.4
101P44.9Very low40Very low117 Ų117136.3 Ų136.376%0.7678%0.779SS**  -136.7131.1124.533.2-18.9000110.5
102A39.5Very low40.1Very low99 Ų99138.5 Ų138.582%0.81877%0.77SS**  66.38865.100000114.1
103D41.1Very low39.9Very low155 Ų155140.8 Ų140.883%0.82978%0.776SS**  trans-157.498.8151.8-151.4-108000106.6
104A41.4Very low40.1Very low78 Ų78140.8 Ų140.865%0.64578%0.775SS**  66107.98900000113.6
105E42Very low41.1Very low158 Ų158133.6 Ų133.674%0.73875%0.748SS**  trans174.8110.4133.6-80.5-116.899.300112.2
106K39.6Very low42.9Very low170 Ų170132.3 Ų132.374%0.73974%0.742SS**  trans41.7111.1143.6-67.3165.4-173.71380120.4
107K37.3Very low45Very low195 Ų195131.4 Ų131.485%0.84873%0.727SS**  82.5141.185.8-167.1-176.3-175.9-179.10113.9
108P39.9Very low47.5Very low90 Ų90123 Ų12358%0.58469%0.691SS**  cis-134.7-172.7-33.741.1-23.3000113
109Q38.7Very low49.6Very low177 Ų177121.2 Ų121.283%0.82768%0.676SS**  trans94.7115.3147.9-76.2172.3-50.700121
110D38.7Very low52Low110 Ų110115.8 Ų115.859%0.58864%0.643SS**  trans79.382.9146.1-115.1-54.4000118.6K112D110-K112 HydrophobicContact CB-CD 4.27Å; D110-K112 PolarHBondContact O-N 3.46Å; D110-K112 VanDerWaalsContact OD1-CD 3.25Å; D110-K112 WeakPolarHBondContact OD1-CD 3.2Å; D110-K112 WeakPolarHBondContact OD1-CE 3.33Å; D110-K112 IonicContact OD1-NZ 2.69Å; D110-K112 PolarHBondContact OD1-NZ 2.89Å; D110-K112 IonicContact OD2-NZ 2.83Å; D110-K112 PolarHBondContact OD2-NZ 3.08Å
111G32.8Very low54.3Low90 Ų90108 Ų10893%0.92860%0.602SS**  trans-67.475.8165.800000112.3
112K43.2Very low56.3Low144 Ų144103.7 Ų103.763%0.62657%0.572SS**  trans-95.2114.2161.4-82.1126.3-179.8166.10108.2D110 L114D110-K112 HydrophobicContact CB-CD 4.27Å; D110-K112 PolarHBondContact O-N 3.46Å; D110-K112 VanDerWaalsContact OD1-CD 3.25Å; D110-K112 WeakPolarHBondContact OD1-CD 3.2Å; D110-K112 WeakPolarHBondContact OD1-CE 3.33Å; D110-K112 IonicContact OD1-NZ 2.69Å; D110-K112 PolarHBondContact OD1-NZ 2.89Å; D110-K112 IonicContact OD2-NZ 2.83Å; D110-K112 PolarHBondContact OD2-NZ 3.08Å; K112-L114 PolarHBondContact O-N 2.67Å
113T42Very low58.5Low132 Ų132102.5 Ų102.581%0.8155%0.549SS*.  trans-26.7120.9167.951.60000111.8P115T113-P115 WeakPolarHBondContact O-CD 3.29Å
114L49.6Very low60.8Low165 Ų16595.1 Ų95.186%0.86451%0.51SS*.  trans-34.8112.9-178.5-122.472.6000110.4K112 K116K112-L114 PolarHBondContact O-N 2.67Å; L114-K116 PolarHBondContact O-N 3.05Å; L114-K116 VanDerWaalsContact O-N 3.07Å
115P58.9Low63.1Low40 Ų4091.8 Ų91.826%0.2648%0.481SS..  trans-55.8121.6-174.6-26.433.6000109.2T113 Y117 A119 M120 Y147T113-P115 WeakPolarHBondContact O-CD 3.29Å; P115-Y117 PolarHBondContact O-N 2.95Å; P115-A119 HydrophobicContact CB-CB 3.9Å; P115-M120 HydrophobicContact CB-CG 4.03Å; P115-M120 WeakPolarHBondContact O-CE 3.38Å; P115-Y147 HydrophobicContact CG-CE1 4.07Å
116K77.3Confident65.2Low174 Ų17489.1 Ų89.176%0.75747%0.471SS*.  trans-54.6141.2174.1-162151.9-172.9158.20107.6L114 G118 A119L114-K116 PolarHBondContact O-N 3.05Å; L114-K116 VanDerWaalsContact O-N 3.07Å; K116-G118 CarbonylContact O-C 3.57Å; K116-G118 PolarHBondContact O-N 2.85Å; K116-A119 WeakPolarHBondContact O-CB 3.27Å; K116-A119 PolarHBondContact O-N 2.9Å
117Y85.1Confident67.4Low93 Ų9386.6 Ų86.637%0.36546%0.462SS..Hα-helixtrans-41.9-33.3-174.5-66.4-60.2000116.2P115 A119 M120 I121 V149 F153P115-Y117 PolarHBondContact O-N 2.95Å; Y117-A119 VanDerWaalsContact C-N 3.34Å; Y117-A119 PolarHBondContact O-N 3.33Å; Y117-M120 HydrophobicContact CD1-CE 3.53Å; Y117-M120 HydrophobicContact CE1-CE 3.91Å; Y117-M120 HydrophobicContact CG-CE 4.4Å; Y117-I121 WeakPolarHBondContact O-CD1 3.44Å; Y117-I121 VanDerWaalsContact O-CG1 3.23Å; Y117-I121 WeakPolarHBondContact O-CG1 3.39Å; Y117-I121 PolarHBondContact O-N 2.84Å; Y117-V149 HydrophobicContact CE1-CG1 4.38Å; Y117-F153 AromaticContact CD1-CD2 3.29Å; Y117-F153 HydrophobicContact CD1-CD2 3.29Å; Y117-F153 AromaticContact CD1-CE2 3.16Å; Y117-F153 HydrophobicContact CD1-CE2 3.16Å; Y117-F153 HydrophobicContact CD1-CG 4.23Å; Y117-F153 AromaticContact CD1-CZ 3.99Å; Y117-F153 HydrophobicContact CD1-CZ 3.99Å; Y117-F153 HydrophobicContact CE1-CB 4.44Å; Y117-F153 AromaticContact CE1-CD2 3.37Å; Y117-F153 HydrophobicContact CE1-CD2 3.37Å; Y117-F153 AromaticContact CE1-CE2 3.79Å; Y117-F153 HydrophobicContact CE1-CE2 3.79Å; Y117-F153 HydrophobicContact CE1-CG 4.02Å; Y117-F153 AromaticContact CG-CD2 3.92Å; Y117-F153 HydrophobicContact CG-CD2 3.92Å; Y117-F153 AromaticContact CG-CE2 3.63Å; Y117-F153 HydrophobicContact CG-CE2 3.63Å
118G85.3Confident69.6Low15 Ų1579.2 Ų79.216%0.15543%0.432CS..Hα-helixtrans-61.2-37.1174.400000114.2K116 M122K116-G118 CarbonylContact O-C 3.57Å; K116-G118 PolarHBondContact O-N 2.85Å; G118-M122 VanDerWaalsContact O-CG 3.23Å; G118-M122 WeakPolarHBondContact O-CG 3.38Å; G118-M122 PolarHBondContact O-N 3.1Å
119A86.9Confident71.4Confident51 Ų5181.5 Ų81.542%0.42144%0.439SS..Hα-helixtrans-70.1-45.1177.600000112P115 K116 Y117 I121 M122 E123P115-A119 HydrophobicContact CB-CB 3.9Å; K116-A119 WeakPolarHBondContact O-CB 3.27Å; K116-A119 PolarHBondContact O-N 2.9Å; Y117-A119 VanDerWaalsContact C-N 3.34Å; Y117-A119 PolarHBondContact O-N 3.33Å; A119-I121 PolarHBondContact O-N 3.39Å; A119-M122 PolarHBondContact O-N 3.38Å; A119-M122 VanDerWaalsContact O-N 3.11Å; A119-E123 PolarHBondContact O-N 2.84Å
120M86.7Confident73.2Confident15 Ų1578.3 Ų78.37%0.07442%0.424CS..Hα-helixtrans-56.8-39.8175-62.8-173.3-122.300111.8P115 Y117 E123 A124 I143 Y147 V149P115-M120 HydrophobicContact CB-CG 4.03Å; P115-M120 WeakPolarHBondContact O-CE 3.38Å; Y117-M120 HydrophobicContact CD1-CE 3.53Å; Y117-M120 HydrophobicContact CE1-CE 3.91Å; Y117-M120 HydrophobicContact CG-CE 4.4Å; M120-E123 PolarHBondContact O-N 2.94Å; M120-A124 VanDerWaalsContact O-CB 3.29Å; M120-A124 WeakPolarHBondContact O-CB 3.44Å; M120-A124 PolarHBondContact O-N 2.65Å; M120-I143 HydrophobicContact CB-CD1 4.3Å; M120-I143 HydrophobicContact CB-CG1 4.33Å; M120-I143 HydrophobicContact CB-CG2 4.18Å; M120-I143 HydrophobicContact SD-CG2 3.77Å; M120-Y147 HydrophobicContact CB-CD2 4.11Å; M120-Y147 HydrophobicContact CB-CE2 4.08Å; M120-Y147 HydrophobicContact CG-CD1 4.24Å; M120-Y147 HydrophobicContact CG-CD2 3.74Å; M120-Y147 HydrophobicContact CG-CE1 4.29Å; M120-Y147 HydrophobicContact CG-CE2 3.8Å; M120-Y147 HydrophobicContact CG-CG 3.97Å; M120-Y147 VanDerWaalsContact SD-CB 3.6Å; M120-Y147 HydrophobicContact SD-CD1 4Å; M120-Y147 HydrophobicContact SD-CD2 3.69Å; M120-Y147 HydrophobicContact SD-CE2 4.36Å; M120-Y147 HydrophobicContact SD-CG 3.47Å; M120-V149 HydrophobicContact CE-CG1 4.21Å; M120-V149 HydrophobicContact SD-CG1 3.85Å
121I89.7Confident74.7Confident0 Ų078.5 Ų78.50%043%0.432CS..Hα-helixtrans-65.8-42177.5-67.3164.6000111.7Y117 A119 E123 A124 L125 I143 F153 L157 K160 L161 L164Y117-I121 WeakPolarHBondContact O-CD1 3.44Å; Y117-I121 VanDerWaalsContact O-CG1 3.23Å; Y117-I121 WeakPolarHBondContact O-CG1 3.39Å; Y117-I121 PolarHBondContact O-N 2.84Å; A119-I121 PolarHBondContact O-N 3.39Å; I121-E123 VanDerWaalsContact C-N 3.34Å; I121-A124 PolarHBondContact O-N 3.09Å; I121-L125 HydrophobicContact CG2-CD1 4.04Å; I121-L125 HydrophobicContact CG2-CG 4.5Å; I121-L125 WeakPolarHBondContact O-CB 3.23Å; I121-L125 VanDerWaalsContact O-CG 3.29Å; I121-L125 WeakPolarHBondContact O-CG 3.42Å; I121-L125 PolarHBondContact O-N 2.94Å; I121-I143 HydrophobicContact CB-CD1 4.47Å; I121-I143 HydrophobicContact CG1-CD1 3.77Å; I121-F153 HydrophobicContact CD1-CZ 4.44Å; I121-F153 HydrophobicContact CG1-CZ 4.34Å; I121-L157 HydrophobicContact CD1-CD1 3.49Å; I121-L157 VanDerWaalsContact CD1-CD1 3.49Å; I121-L157 HydrophobicContact CG1-CD1 3.66Å; I121-K160 HydrophobicContact CD1-CB 4.11Å; I121-K160 HydrophobicContact CD1-CG 3.67Å; I121-L161 HydrophobicContact CG2-CD2 3.5Å; I121-L164 HydrophobicContact CB-CD1 4.29Å; I121-L164 HydrophobicContact CD1-CD1 4.05Å; I121-L164 HydrophobicContact CG2-CD1 3.95Å
122M86.9Confident76.5Confident27 Ų2780.1 Ų80.113%0.13342%0.419CS..Hα-helixtrans-65-42.6178.7-62.1-72.4139.600111G118 A119 L125 L126 L164 K169 I170 L179G118-M122 VanDerWaalsContact O-CG 3.23Å; G118-M122 WeakPolarHBondContact O-CG 3.38Å; G118-M122 PolarHBondContact O-N 3.1Å; A119-M122 PolarHBondContact O-N 3.38Å; A119-M122 VanDerWaalsContact O-N 3.11Å; M122-L125 PolarHBondContact O-N 2.79Å; M122-L126 WeakPolarHBondContact O-CB 3.21Å; M122-L126 VanDerWaalsContact O-CG 3.27Å; M122-L126 WeakPolarHBondContact O-CG 3.48Å; M122-L126 PolarHBondContact O-N 2.85Å; M122-L164 HydrophobicContact CE-CB 4.24Å; M122-L164 HydrophobicContact CE-CD1 3.58Å; M122-L164 HydrophobicContact CE-CD2 3.56Å; M122-L164 HydrophobicContact CE-CG 3.98Å; M122-K169 HydrophobicContact CE-CB 3.86Å; M122-K169 HydrophobicContact SD-CB 4.42Å; M122-I170 HydrophobicContact CE-CG2 3.48Å; M122-I170 VanDerWaalsContact CE-CG2 3.48Å; M122-I170 HydrophobicContact SD-CG2 3.9Å; M122-L179 HydrophobicContact SD-CD1 3.73Å
123E86.2Confident78.6Confident73 Ų7373.7 Ų73.734%0.34139%0.393SS..Hα-helixtrans-64.8-43.1176.4-173.1-175.9170.600111.7A119 M120 I121 L125 L126 E127 Y147A119-E123 PolarHBondContact O-N 2.84Å; M120-E123 PolarHBondContact O-N 2.94Å; I121-E123 VanDerWaalsContact C-N 3.34Å; E123-L125 VanDerWaalsContact C-N 3.3Å; E123-L125 PolarHBondContact O-N 3.4Å; E123-L126 WeakPolarHBondContact O-CB 3.25Å; E123-L126 PolarHBondContact O-N 3.04Å; E123-E127 PolarHBondContact O-N 2.84Å; E123-Y147 VanDerWaalsContact CD-OH 3.3Å; E123-Y147 PolarHBondContact OE1-OH 2.94Å; E123-Y147 PolarHBondContact OE2-OH 3.25Å
124A89.8Confident80.7Confident0 Ų067.6 Ų67.60%036%0.356CS..Hα-helixtrans-59.1-41.917500000112.4M120 I121 E127 L128 I139 F142 I143M120-A124 VanDerWaalsContact O-CB 3.29Å; M120-A124 WeakPolarHBondContact O-CB 3.44Å; M120-A124 PolarHBondContact O-N 2.65Å; I121-A124 PolarHBondContact O-N 3.09Å; A124-E127 PolarHBondContact O-N 3.11Å; A124-L128 VanDerWaalsContact O-CB 3.29Å; A124-L128 WeakPolarHBondContact O-CB 3.37Å; A124-L128 WeakPolarHBondContact O-CD1 3.43Å; A124-L128 VanDerWaalsContact O-CG 3.26Å; A124-L128 WeakPolarHBondContact O-CG 3.49Å; A124-L128 PolarHBondContact O-N 3.11Å; A124-I139 HydrophobicContact CB-CG2 4.18Å; A124-F142 HydrophobicContact CB-CD1 3.44Å; A124-F142 VanDerWaalsContact CB-CD1 3.44Å; A124-F142 HydrophobicContact CB-CE1 4.01Å; A124-F142 HydrophobicContact CB-CG 4.24Å; A124-I143 HydrophobicContact CB-CD1 4.07Å; A124-I143 HydrophobicContact CB-CG1 3.7Å
125L88.3Confident82.6Confident8 Ų863.3 Ų63.34%0.04233%0.334CS..Hα-helixtrans-69.8-33.6177-72.1173.6000112.9I121 M122 E123 N129 I139 I170 Y177I121-L125 HydrophobicContact CG2-CD1 4.04Å; I121-L125 HydrophobicContact CG2-CG 4.5Å; I121-L125 WeakPolarHBondContact O-CB 3.23Å; I121-L125 VanDerWaalsContact O-CG 3.29Å; I121-L125 WeakPolarHBondContact O-CG 3.42Å; I121-L125 PolarHBondContact O-N 2.94Å; M122-L125 PolarHBondContact O-N 2.79Å; E123-L125 VanDerWaalsContact C-N 3.3Å; E123-L125 PolarHBondContact O-N 3.4Å; L125-N129 PolarHBondContact O-N 3.33Å; L125-I139 HydrophobicContact CD2-CD1 3.59Å; L125-I139 HydrophobicContact CD2-CG1 3.95Å; L125-I139 HydrophobicContact CG-CD1 4.39Å; L125-I170 HydrophobicContact CD1-CB 4.16Å; L125-I170 HydrophobicContact CD1-CD1 4.38Å; L125-I170 HydrophobicContact CD1-CG2 3.42Å; L125-I170 VanDerWaalsContact CD1-CG2 3.42Å; L125-Y177 WeakPolarHBondContact CD2-O 3.25Å
126L86Confident84Confident102 Ų10264.2 Ų64.253%0.53434%0.336SS..Hα-helixtrans-67.2-42.1174.2-78.1167.8000111.5M122 E123 L179M122-L126 WeakPolarHBondContact O-CB 3.21Å; M122-L126 VanDerWaalsContact O-CG 3.27Å; M122-L126 WeakPolarHBondContact O-CG 3.48Å; M122-L126 PolarHBondContact O-N 2.85Å; E123-L126 WeakPolarHBondContact O-CB 3.25Å; E123-L126 PolarHBondContact O-N 3.04Å; L126-L179 HydrophobicContact CD2-CD2 3.34Å; L126-L179 HydrophobicContact CG-CD2 3.85Å
127E85.7Confident84.6Confident117 Ų11758.5 Ų58.555%0.54732%0.322SS..Hα-helixtrans-76.8-37.9-177-156.977.6-17700112.3E123 A124 N129 F142E123-E127 PolarHBondContact O-N 2.84Å; A124-E127 PolarHBondContact O-N 3.11Å; E127-N129 VanDerWaalsContact C-N 3.34Å; E127-F142 HydrophobicContact CB-CE1 4.19Å; E127-F142 HydrophobicContact CB-CE2 3.76Å; E127-F142 HydrophobicContact CB-CZ 3.44Å; E127-F142 VanDerWaalsContact CB-CZ 3.44Å; E127-F142 HydrophobicContact CG-CE2 3.61Å; E127-F142 HydrophobicContact CG-CZ 3.54Å
128L83.7Confident84.8Confident41 Ų4155.9 Ų55.922%0.21532%0.319CS..Hα-helixtrans-70.8-29.7-179.7-73.5166.7000112.2A124 E130 S134 A138 I139 F142A124-L128 VanDerWaalsContact O-CB 3.29Å; A124-L128 WeakPolarHBondContact O-CB 3.37Å; A124-L128 WeakPolarHBondContact O-CD1 3.43Å; A124-L128 VanDerWaalsContact O-CG 3.26Å; A124-L128 WeakPolarHBondContact O-CG 3.49Å; A124-L128 PolarHBondContact O-N 3.11Å; L128-E130 WeakPolarHBondContact O-CG 3.3Å; L128-E130 PolarHBondContact O-N 2.76Å; L128-S134 VanDerWaalsContact CB-OG 3.22Å; L128-S134 WeakPolarHBondContact CB-OG 3.37Å; L128-A138 HydrophobicContact CD1-CB 4.24Å; L128-I139 HydrophobicContact CD1-CG1 4.2Å; L128-F142 HydrophobicContact CD1-CB 4.15Å; L128-F142 HydrophobicContact CD2-CD2 4.39Å; L128-F142 HydrophobicContact CG-CD2 4.39Å; L128-F142 HydrophobicContact CG-CG 4.48Å
129N77.3Confident85Confident137 Ų13755.2 Ų55.273%0.73331%0.312SS*.  trans32.942.8173.9-165.747.9000115.9L125 E127L125-N129 PolarHBondContact O-N 3.33Å; E127-N129 VanDerWaalsContact C-N 3.34Å
130E78.1Confident85.1Confident110 Ų11053.6 Ų53.651%0.51430%0.296SS..  trans-78.5130.8-177.8-71.6-62.3156.100109.6L128 N132 G133L128-E130 WeakPolarHBondContact O-CG 3.3Å; L128-E130 PolarHBondContact O-N 2.76Å; E130-N132 PolarHBondContact O-N 3.46Å; E130-G133 PolarHBondContact O-N 3.4Å
131P69Low85.2Confident115 Ų11554.4 Ų54.475%0.74731%0.308SS*.THydrogen-bonded Turntrans-61.6-23-175.624.9-34.4000112.9
132N71.9Confident85.1Confident123 Ų12355.7 Ų55.766%0.65831%0.314SS*.THydrogen-bonded Turntrans-103.510179.9-130.755.1000113.2E130 S176E130-N132 PolarHBondContact O-N 3.46Å; N132-S176 WeakPolarHBondContact O-CB 3.45Å
133G85.5Confident85.2Confident9 Ų954.4 Ų54.49%0.09331%0.307CS..  trans77.9158.8-171.300000113.3E130 Y177E130-G133 PolarHBondContact O-N 3.4Å; G133-Y177 CarbonylContact C-O 3.52Å; G133-Y177 WeakPolarHBondContact CA-O 3.49Å
134S87.1Confident85.3Confident5 Ų555.9 Ų55.94%0.03531%0.314CS..EExtended strand (participates in β ladder)trans-92.1137.9179-50.70000111L128 S176 Y177L128-S134 VanDerWaalsContact CB-OG 3.22Å; L128-S134 WeakPolarHBondContact CB-OG 3.37Å; S134-S176 CarbonylContact O-C 3.57Å; S134-S176 WeakPolarHBondContact O-CA 3.29Å; S134-Y177 PolarHBondContact N-O 3.26Å; S134-Y177 PolarHBondContact O-N 3.39Å
135D88.7Confident85.1Confident74 Ų7463.9 Ų63.940%0.39635%0.351SS..EExtended strand (participates in β ladder)trans-75.6162.7176.275.3-34.2000111.4A137 A138 I139D135-A137 PolarHBondContact O-N 3.14Å; D135-A137 WeakPolarHBondContact OD2-CB 3.08Å; D135-A138 PolarHBondContact O-N 3.23Å; D135-A138 WeakPolarHBondContact OD1-CA 3.37Å; D135-A138 WeakPolarHBondContact OD1-CB 3.26Å; D135-A138 PolarHBondContact OD1-N 3.46Å; D135-I139 VanDerWaalsContact O-CG1 3.28Å; D135-I139 WeakPolarHBondContact O-CG1 3.41Å; D135-I139 PolarHBondContact O-N 3.29Å
136I89.9Confident84.8Confident59 Ų5971 Ų7130%0.30338%0.377SS..Hα-helixtrans-59.7-33.9-178.5-59.5172.8000110.8F140 L157 A158 L161 Y177I136-F140 VanDerWaalsContact O-CB 3.28Å; I136-F140 WeakPolarHBondContact O-CB 3.49Å; I136-F140 PolarHBondContact O-N 3.42Å; I136-L157 HydrophobicContact CG2-CD2 4.11Å; I136-L157 HydrophobicContact CG2-CG 4.38Å; I136-A158 HydrophobicContact CD1-CB 4.34Å; I136-L161 HydrophobicContact CG1-CD1 4.05Å; I136-L161 HydrophobicContact CG2-CD1 4.43Å; I136-Y177 HydrophobicContact CD1-CE2 4.02Å; I136-Y177 HydrophobicContact CG1-CD2 4.24Å; I136-Y177 HydrophobicContact CG1-CE2 3.63Å
137A88.3Confident84.7Confident55 Ų5568.6 Ų68.646%0.45536%0.362SS..Hα-helixtrans-73.5-42.5-179.100000112.4D135 F140 G141D135-A137 PolarHBondContact O-N 3.14Å; D135-A137 WeakPolarHBondContact OD2-CB 3.08Å; A137-F140 PolarHBondContact O-N 2.85Å; A137-G141 PolarHBondContact O-N 3.01Å
138A89.2Confident84.3Confident38 Ų3868.6 Ų68.631%0.31438%0.382SS..Hα-helixtrans-65.3-41.8174.500000111.8L128 D135 F140 G141 F142L128-A138 HydrophobicContact CD1-CB 4.24Å; D135-A138 PolarHBondContact O-N 3.23Å; D135-A138 WeakPolarHBondContact OD1-CA 3.37Å; D135-A138 WeakPolarHBondContact OD1-CB 3.26Å; D135-A138 PolarHBondContact OD1-N 3.46Å; A138-F140 VanDerWaalsContact C-N 3.3Å; A138-F140 PolarHBondContact O-N 3.47Å; A138-G141 PolarHBondContact O-N 2.94Å; A138-F142 WeakPolarHBondContact O-CB 2.91Å; A138-F142 PolarHBondContact O-N 3.2Å
139I90.6Very high84Confident0 Ų067.7 Ų67.70%038%0.378CS..Hα-helixtrans-60.8-44175.6-62.4164.4000110A124 L125 L128 D135 I143 L157 L161 Y177A124-I139 HydrophobicContact CB-CG2 4.18Å; L125-I139 HydrophobicContact CD2-CD1 3.59Å; L125-I139 HydrophobicContact CD2-CG1 3.95Å; L125-I139 HydrophobicContact CG-CD1 4.39Å; L128-I139 HydrophobicContact CD1-CG1 4.2Å; D135-I139 VanDerWaalsContact O-CG1 3.28Å; D135-I139 WeakPolarHBondContact O-CG1 3.41Å; D135-I139 PolarHBondContact O-N 3.29Å; I139-I143 HydrophobicContact CG2-CD1 3.71Å; I139-I143 HydrophobicContact CG2-CG1 4.49Å; I139-I143 WeakPolarHBondContact O-CB 3.31Å; I139-I143 WeakPolarHBondContact O-CD1 3.29Å; I139-I143 WeakPolarHBondContact O-CG1 3.41Å; I139-I143 PolarHBondContact O-N 2.93Å; I139-L157 HydrophobicContact CG2-CD1 4.29Å; I139-L157 HydrophobicContact CG2-CD2 4.36Å; I139-L161 HydrophobicContact CD1-CD1 4.16Å; I139-L161 HydrophobicContact CD1-CD2 4.11Å; I139-Y177 HydrophobicContact CD1-CD2 4.37Å
140F89.3Confident83.9Confident18 Ų1867.1 Ų67.18%0.07937%0.371CS..Hα-helixtrans-62.5-49.6177.3-178.9-100.8000111.8I136 A137 A138 F142 I143 E144 F153 R154 L157I136-F140 VanDerWaalsContact O-CB 3.28Å; I136-F140 WeakPolarHBondContact O-CB 3.49Å; I136-F140 PolarHBondContact O-N 3.42Å; A137-F140 PolarHBondContact O-N 2.85Å; A138-F140 VanDerWaalsContact C-N 3.3Å; A138-F140 PolarHBondContact O-N 3.47Å; F140-F142 PolarHBondContact O-N 3.1Å; F140-I143 PolarHBondContact O-N 3.33Å; F140-E144 HydrophobicContact CE1-CB 4.42Å; F140-E144 VanDerWaalsContact CE1-OE2 3.26Å; F140-E144 WeakPolarHBondContact CE1-OE2 3.37Å; F140-E144 WeakPolarHBondContact O-CB 3.3Å; F140-E144 PolarHBondContact O-N 2.91Å; F140-F153 AromaticContact CD2-CD1 3.85Å; F140-F153 HydrophobicContact CD2-CD1 3.85Å; F140-F153 HydrophobicContact CD2-CE1 4.29Å; F140-F153 HydrophobicContact CE2-CB 4.49Å; F140-F153 AromaticContact CE2-CD1 3.83Å; F140-F153 HydrophobicContact CE2-CD1 3.83Å; F140-R154 HydrophobicContact CD2-CB 3.87Å; F140-R154 HydrophobicContact CD2-CG 4.1Å; F140-R154 HydrophobicContact CE2-CB 3.51Å; F140-R154 HydrophobicContact CE2-CG 4.16Å; F140-R154 HydrophobicContact CG-CG 4.32Å; F140-R154 HydrophobicContact CZ-CB 3.91Å; F140-R154 HydrophobicContact CZ-CG 4.42Å; F140-L157 HydrophobicContact CB-CD2 3.66Å; F140-L157 HydrophobicContact CD2-CD2 4.07Å; F140-L157 HydrophobicContact CG-CD2 4.36Å
141G87.4Confident83.8Confident32 Ų3266.8 Ų66.833%0.3338%0.378SS..Hα-helixtrans-62-41-179.500000112.7A137 A138 E144 Q145A137-G141 PolarHBondContact O-N 3.01Å; A138-G141 PolarHBondContact O-N 2.94Å; G141-E144 PolarHBondContact O-N 3.47Å; G141-Q145 WeakPolarHBondContact O-CB 3.47Å; G141-Q145 PolarHBondContact O-N 3.48Å
142F88.4Confident84.3Confident27 Ų2764.8 Ų64.812%0.11836%0.364CS..Hα-helixtrans-62.4-45.6175.2-177.2-86.7000111.7A124 E127 L128 A138 F140 Q145 R146A124-F142 HydrophobicContact CB-CD1 3.44Å; A124-F142 VanDerWaalsContact CB-CD1 3.44Å; A124-F142 HydrophobicContact CB-CE1 4.01Å; A124-F142 HydrophobicContact CB-CG 4.24Å; E127-F142 HydrophobicContact CB-CE1 4.19Å; E127-F142 HydrophobicContact CB-CE2 3.76Å; E127-F142 HydrophobicContact CB-CZ 3.44Å; E127-F142 VanDerWaalsContact CB-CZ 3.44Å; E127-F142 HydrophobicContact CG-CE2 3.61Å; E127-F142 HydrophobicContact CG-CZ 3.54Å; L128-F142 HydrophobicContact CD1-CB 4.15Å; L128-F142 HydrophobicContact CD2-CD2 4.39Å; L128-F142 HydrophobicContact CG-CD2 4.39Å; L128-F142 HydrophobicContact CG-CG 4.48Å; A138-F142 WeakPolarHBondContact O-CB 2.91Å; A138-F142 PolarHBondContact O-N 3.2Å; F140-F142 PolarHBondContact O-N 3.1Å; F142-Q145 PolarHBondContact O-N 3.45Å; F142-R146 HydrophobicContact CD1-CG 4.31Å; F142-R146 HydrophobicContact CE1-CG 3.84Å; F142-R146 HydrophobicContact CE2-CG 4.4Å; F142-R146 HydrophobicContact CZ-CG 3.89Å; F142-R146 WeakPolarHBondContact O-CB 3.41Å; F142-R146 WeakPolarHBondContact O-CG 3.12Å; F142-R146 PolarHBondContact O-N 2.99Å
143I89.5Confident85Confident0 Ų059 Ų590%033%0.333CS..Hα-helixtrans-67.2-42.8179.3-66.7169.9000110.5M120 I121 A124 I139 F140 Q145 R146 Y147 V149 F153M120-I143 HydrophobicContact CB-CD1 4.3Å; M120-I143 HydrophobicContact CB-CG1 4.33Å; M120-I143 HydrophobicContact CB-CG2 4.18Å; M120-I143 HydrophobicContact SD-CG2 3.77Å; I121-I143 HydrophobicContact CB-CD1 4.47Å; I121-I143 HydrophobicContact CG1-CD1 3.77Å; A124-I143 HydrophobicContact CB-CD1 4.07Å; A124-I143 HydrophobicContact CB-CG1 3.7Å; I139-I143 HydrophobicContact CG2-CD1 3.71Å; I139-I143 HydrophobicContact CG2-CG1 4.49Å; I139-I143 WeakPolarHBondContact O-CB 3.31Å; I139-I143 WeakPolarHBondContact O-CD1 3.29Å; I139-I143 WeakPolarHBondContact O-CG1 3.41Å; I139-I143 PolarHBondContact O-N 2.93Å; F140-I143 PolarHBondContact O-N 3.33Å; I143-Q145 VanDerWaalsContact C-N 3.29Å; I143-Q145 PolarHBondContact O-N 2.81Å; I143-R146 PolarHBondContact O-N 3.3Å; I143-Y147 HydrophobicContact CG2-CD2 4.2Å; I143-Y147 WeakPolarHBondContact O-CA 3.37Å; I143-Y147 VanDerWaalsContact O-CB 3.28Å; I143-Y147 WeakPolarHBondContact O-CB 3.35Å; I143-Y147 PolarHBondContact O-N 3.47Å; I143-Y147 VanDerWaalsContact O-O 3.05Å; I143-V149 HydrophobicContact CG2-CG1 3.64Å; I143-V149 HydrophobicContact CG2-CG2 4.5Å; I143-F153 HydrophobicContact CB-CE1 4.17Å; I143-F153 HydrophobicContact CD1-CE1 3.9Å; I143-F153 HydrophobicContact CD1-CZ 3.93Å; I143-F153 HydrophobicContact CG2-CD1 4.39Å; I143-F153 HydrophobicContact CG2-CE1 3.67Å; I143-F153 HydrophobicContact CG2-CZ 4.24Å
144E87.7Confident84.9Confident103 Ų10366.2 Ų66.248%0.48136%0.358SS..Hα-helixtrans-64-34.1178.7-173.5171.9-128.100112.3F140 G141 V149F140-E144 HydrophobicContact CE1-CB 4.42Å; F140-E144 VanDerWaalsContact CE1-OE2 3.26Å; F140-E144 WeakPolarHBondContact CE1-OE2 3.37Å; F140-E144 WeakPolarHBondContact O-CB 3.3Å; F140-E144 PolarHBondContact O-N 2.91Å; G141-E144 PolarHBondContact O-N 3.47Å; E144-V149 HydrophobicContact CB-CG2 4.2Å; E144-V149 HydrophobicContact CG-CG2 4.42Å
145Q85.6Confident84.9Confident168 Ų16876.3 Ų76.379%0.78540%0.395SS*.Hα-helixtrans-73.8-37.2176.3-170.3174.732.900112.9G141 F142 I143G141-Q145 WeakPolarHBondContact O-CB 3.47Å; G141-Q145 PolarHBondContact O-N 3.48Å; F142-Q145 PolarHBondContact O-N 3.45Å; I143-Q145 VanDerWaalsContact C-N 3.29Å; I143-Q145 PolarHBondContact O-N 2.81Å
146R82.9Confident84.8Confident157 Ų15779.1 Ų79.159%0.59240%0.404SS*.Hα-helixtrans-86.7-30.7-178.8-73.3-68.4-167.7175.44113.5F142 I143F142-R146 HydrophobicContact CD1-CG 4.31Å; F142-R146 HydrophobicContact CE1-CG 3.84Å; F142-R146 HydrophobicContact CE2-CG 4.4Å; F142-R146 HydrophobicContact CZ-CG 3.89Å; F142-R146 WeakPolarHBondContact O-CB 3.41Å; F142-R146 WeakPolarHBondContact O-CG 3.12Å; F142-R146 PolarHBondContact O-N 2.99Å; I143-R146 PolarHBondContact O-N 3.3Å
147Y82.7Confident84.9Confident53 Ų5376.3 Ų76.321%0.20839%0.389CS..SBendtrans-130.9130-171.7-62.9-76.1000110.2P115 M120 E123 I143 V149P115-Y147 HydrophobicContact CG-CE1 4.07Å; M120-Y147 HydrophobicContact CB-CD2 4.11Å; M120-Y147 HydrophobicContact CB-CE2 4.08Å; M120-Y147 HydrophobicContact CG-CD1 4.24Å; M120-Y147 HydrophobicContact CG-CD2 3.74Å; M120-Y147 HydrophobicContact CG-CE1 4.29Å; M120-Y147 HydrophobicContact CG-CE2 3.8Å; M120-Y147 HydrophobicContact CG-CG 3.97Å; M120-Y147 VanDerWaalsContact SD-CB 3.6Å; M120-Y147 HydrophobicContact SD-CD1 4Å; M120-Y147 HydrophobicContact SD-CD2 3.69Å; M120-Y147 HydrophobicContact SD-CE2 4.36Å; M120-Y147 HydrophobicContact SD-CG 3.47Å; E123-Y147 VanDerWaalsContact CD-OH 3.3Å; E123-Y147 PolarHBondContact OE1-OH 2.94Å; E123-Y147 PolarHBondContact OE2-OH 3.25Å; I143-Y147 HydrophobicContact CG2-CD2 4.2Å; I143-Y147 WeakPolarHBondContact O-CA 3.37Å; I143-Y147 VanDerWaalsContact O-CB 3.28Å; I143-Y147 WeakPolarHBondContact O-CB 3.35Å; I143-Y147 PolarHBondContact O-N 3.47Å; I143-Y147 VanDerWaalsContact O-O 3.05Å; Y147-V149 VanDerWaalsContact C-N 3.28Å; Y147-V149 PolarHBondContact O-N 3.45Å
148A77.8Confident84.9Confident116 Ų11675.2 Ų75.296%0.95938%0.38SS*.  trans-68.388.1169.300000109.7
149V77.6Confident84.9Confident23 Ų2376.3 Ų76.314%0.13939%0.386CS..  trans-95.8148.6179-66.80000111.3Y117 M120 I143 E144 Y147 F153Y117-V149 HydrophobicContact CE1-CG1 4.38Å; M120-V149 HydrophobicContact CE-CG1 4.21Å; M120-V149 HydrophobicContact SD-CG1 3.85Å; I143-V149 HydrophobicContact CG2-CG1 3.64Å; I143-V149 HydrophobicContact CG2-CG2 4.5Å; E144-V149 HydrophobicContact CB-CG2 4.2Å; E144-V149 HydrophobicContact CG-CG2 4.42Å; Y147-V149 VanDerWaalsContact C-N 3.28Å; Y147-V149 PolarHBondContact O-N 3.45Å; V149-F153 HydrophobicContact CB-CB 4.15Å; V149-F153 HydrophobicContact CB-CD1 4.08Å; V149-F153 HydrophobicContact CB-CG 4.23Å; V149-F153 HydrophobicContact CG1-CD1 4.23Å; V149-F153 HydrophobicContact CG2-CB 4.39Å; V149-F153 HydrophobicContact CG2-CD1 3.93Å; V149-F153 HydrophobicContact CG2-CG 4.46Å
150Q76Confident84.9Confident124 Ų12479.6 Ų79.658%0.57940%0.4SS*.  trans-64.1142.6174.2-69.6-71.9-19.900110.3T152 F153Q150-T152 PolarHBondContact O-N 3.47Å; Q150-F153 WeakPolarHBondContact O-CB 3.43Å; Q150-F153 PolarHBondContact O-N 3.14Å
151P74.6Confident85Confident104 Ų10478.7 Ų78.768%0.67540%0.396SS*.THydrogen-bonded Turntrans-56.7-28.1177.8-26.534.3000113.8F153 R154P151-F153 PolarHBondContact O-N 2.89Å; P151-R154 PolarHBondContact O-N 3.32Å
152T80.2Confident85.1Confident73 Ų7384.2 Ų84.245%0.44841%0.407SS..THydrogen-bonded Turntrans-65-18.2174.859.20000113.1Q150 R154 R155 F156Q150-T152 PolarHBondContact O-N 3.47Å; T152-R154 PolarHBondContact O-N 2.86Å; T152-R155 WeakPolarHBondContact O-CB 3.42Å; T152-R155 PolarHBondContact O-N 3.18Å; T152-F156 WeakPolarHBondContact O-CD2 3.47Å; T152-F156 PolarHBondContact O-N 2.91Å
153F85.4Confident85.1Confident2 Ų290.7 Ų90.71%0.00943%0.43CS..Hα-helixtrans-56-38.1179.1178.5-119.6000112Y117 I121 F140 I143 V149 Q150 P151 R155 F156 L157Y117-F153 AromaticContact CD1-CD2 3.29Å; Y117-F153 HydrophobicContact CD1-CD2 3.29Å; Y117-F153 AromaticContact CD1-CE2 3.16Å; Y117-F153 HydrophobicContact CD1-CE2 3.16Å; Y117-F153 HydrophobicContact CD1-CG 4.23Å; Y117-F153 AromaticContact CD1-CZ 3.99Å; Y117-F153 HydrophobicContact CD1-CZ 3.99Å; Y117-F153 HydrophobicContact CE1-CB 4.44Å; Y117-F153 AromaticContact CE1-CD2 3.37Å; Y117-F153 HydrophobicContact CE1-CD2 3.37Å; Y117-F153 AromaticContact CE1-CE2 3.79Å; Y117-F153 HydrophobicContact CE1-CE2 3.79Å; Y117-F153 HydrophobicContact CE1-CG 4.02Å; Y117-F153 AromaticContact CG-CD2 3.92Å; Y117-F153 HydrophobicContact CG-CD2 3.92Å; Y117-F153 AromaticContact CG-CE2 3.63Å; Y117-F153 HydrophobicContact CG-CE2 3.63Å; I121-F153 HydrophobicContact CD1-CZ 4.44Å; I121-F153 HydrophobicContact CG1-CZ 4.34Å; F140-F153 AromaticContact CD2-CD1 3.85Å; F140-F153 HydrophobicContact CD2-CD1 3.85Å; F140-F153 HydrophobicContact CD2-CE1 4.29Å; F140-F153 HydrophobicContact CE2-CB 4.49Å; F140-F153 AromaticContact CE2-CD1 3.83Å; F140-F153 HydrophobicContact CE2-CD1 3.83Å; I143-F153 HydrophobicContact CB-CE1 4.17Å; I143-F153 HydrophobicContact CD1-CE1 3.9Å; I143-F153 HydrophobicContact CD1-CZ 3.93Å; I143-F153 HydrophobicContact CG2-CD1 4.39Å; I143-F153 HydrophobicContact CG2-CE1 3.67Å; I143-F153 HydrophobicContact CG2-CZ 4.24Å; V149-F153 HydrophobicContact CB-CB 4.15Å; V149-F153 HydrophobicContact CB-CD1 4.08Å; V149-F153 HydrophobicContact CB-CG 4.23Å; V149-F153 HydrophobicContact CG1-CD1 4.23Å; V149-F153 HydrophobicContact CG2-CB 4.39Å; V149-F153 HydrophobicContact CG2-CD1 3.93Å; V149-F153 HydrophobicContact CG2-CG 4.46Å; Q150-F153 WeakPolarHBondContact O-CB 3.43Å; Q150-F153 PolarHBondContact O-N 3.14Å; P151-F153 PolarHBondContact O-N 2.89Å; F153-R155 PolarHBondContact O-N 2.87Å; F153-F156 CarbonylContact O-C 3.55Å; F153-F156 PolarHBondContact O-N 2.9Å; F153-L157 HydrophobicContact CE1-CB 4.41Å; F153-L157 HydrophobicContact CE1-CD1 4.15Å; F153-L157 HydrophobicContact CE1-CD2 4.23Å; F153-L157 HydrophobicContact CE1-CG 4.5Å; F153-L157 HydrophobicContact CE2-CB 4.48Å; F153-L157 HydrophobicContact CE2-CD1 4.36Å; F153-L157 HydrophobicContact CZ-CB 4.32Å; F153-L157 HydrophobicContact CZ-CD1 3.7Å; F153-L157 HydrophobicContact CZ-CG 4.41Å; F153-L157 WeakPolarHBondContact O-CB 3.46Å; F153-L157 PolarHBondContact O-N 3.47Å
154R85.2Confident85.1Confident160 Ų16091.3 Ų91.360%0.60443%0.434SS*.Hα-helixtrans-56.7-39.8177.3-167.3173.4172.3167.5-1.2112.2F140 P151 T152 F156F140-R154 HydrophobicContact CD2-CB 3.87Å; F140-R154 HydrophobicContact CD2-CG 4.1Å; F140-R154 HydrophobicContact CE2-CB 3.51Å; F140-R154 HydrophobicContact CE2-CG 4.16Å; F140-R154 HydrophobicContact CG-CG 4.32Å; F140-R154 HydrophobicContact CZ-CB 3.91Å; F140-R154 HydrophobicContact CZ-CG 4.42Å; P151-R154 PolarHBondContact O-N 3.32Å; T152-R154 PolarHBondContact O-N 2.86Å; R154-F156 VanDerWaalsContact C-N 3.34Å; R154-F156 PolarHBondContact O-N 2.99Å
155R85.6Confident85.2Confident216 Ų21687.5 Ų87.582%0.81542%0.42SS*.Hα-helixtrans-66.9-36178.4-60.1-178.380.5160.52.4111.5T152 F153T152-R155 WeakPolarHBondContact O-CB 3.42Å; T152-R155 PolarHBondContact O-N 3.18Å; F153-R155 PolarHBondContact O-N 2.87Å
156F87.8Confident85.3Confident134 Ų13485.4 Ų85.459%0.58841%0.414SS*.Hα-helixtrans-87-23.2-179.7-63.5-67.5000114T152 F153 R154 A158 S159 K160T152-F156 WeakPolarHBondContact O-CD2 3.47Å; T152-F156 PolarHBondContact O-N 2.91Å; F153-F156 CarbonylContact O-C 3.55Å; F153-F156 PolarHBondContact O-N 2.9Å; R154-F156 VanDerWaalsContact C-N 3.34Å; R154-F156 PolarHBondContact O-N 2.99Å; F156-A158 PolarHBondContact O-N 2.88Å; F156-S159 PolarHBondContact O-N 2.69Å; F156-K160 WeakPolarHBondContact O-CB 3.26Å; F156-K160 PolarHBondContact O-N 3.3Å
157L90.6Very high85.5Confident0 Ų081 Ų810%041%0.408CS..Hα-helixtrans-58.5-45.7-175.3176.959.4000111.5I121 I136 I139 F140 F153 S159 K160 L161I121-L157 HydrophobicContact CD1-CD1 3.49Å; I121-L157 VanDerWaalsContact CD1-CD1 3.49Å; I121-L157 HydrophobicContact CG1-CD1 3.66Å; I136-L157 HydrophobicContact CG2-CD2 4.11Å; I136-L157 HydrophobicContact CG2-CG 4.38Å; I139-L157 HydrophobicContact CG2-CD1 4.29Å; I139-L157 HydrophobicContact CG2-CD2 4.36Å; F140-L157 HydrophobicContact CB-CD2 3.66Å; F140-L157 HydrophobicContact CD2-CD2 4.07Å; F140-L157 HydrophobicContact CG-CD2 4.36Å; F153-L157 HydrophobicContact CE1-CB 4.41Å; F153-L157 HydrophobicContact CE1-CD1 4.15Å; F153-L157 HydrophobicContact CE1-CD2 4.23Å; F153-L157 HydrophobicContact CE1-CG 4.5Å; F153-L157 HydrophobicContact CE2-CB 4.48Å; F153-L157 HydrophobicContact CE2-CD1 4.36Å; F153-L157 HydrophobicContact CZ-CB 4.32Å; F153-L157 HydrophobicContact CZ-CD1 3.7Å; F153-L157 HydrophobicContact CZ-CG 4.41Å; F153-L157 WeakPolarHBondContact O-CB 3.46Å; F153-L157 PolarHBondContact O-N 3.47Å; L157-S159 PolarHBondContact O-N 2.83Å; L157-K160 PolarHBondContact O-N 3.11Å; L157-K160 VanDerWaalsContact O-N 3.16Å; L157-L161 HydrophobicContact CD1-CD1 3.89Å; L157-L161 HydrophobicContact CD1-CG 3.93Å; L157-L161 HydrophobicContact CG-CD1 3.83Å; L157-L161 HydrophobicContact CG-CG 4.34Å; L157-L161 WeakPolarHBondContact O-CB 3.47Å; L157-L161 WeakPolarHBondContact O-CG 3.29Å; L157-L161 PolarHBondContact O-N 3.01Å
158A89.2Confident85.5Confident32 Ų3285 Ų8526%0.26443%0.432SS..Hα-helixtrans-60.7-44178.700000112.6I136 F156 R162I136-A158 HydrophobicContact CD1-CB 4.34Å; F156-A158 PolarHBondContact O-N 2.88Å; A158-R162 WeakPolarHBondContact O-CB 3.43Å; A158-R162 PolarHBondContact O-N 3.41Å
159S89.6Confident85.8Confident61 Ų6184.7 Ų84.743%0.42741%0.409SS..Hα-helixtrans-66.1-39.8175.2177.10000111.3F156 L157 R162 R163F156-S159 PolarHBondContact O-N 2.69Å; L157-S159 PolarHBondContact O-N 2.83Å; S159-R162 PolarHBondContact O-N 2.9Å; S159-R163 VanDerWaalsContact O-CG 3.3Å; S159-R163 WeakPolarHBondContact O-CG 3.22Å; S159-R163 PolarHBondContact O-N 3.17Å
160K89.6Confident86.2Confident68 Ų6883.8 Ų83.830%0.29640%0.404SS..Hα-helixtrans-66.5-43.6179.4-166.467.5179.7178.40112I121 F156 L157 R163 L164I121-K160 HydrophobicContact CD1-CB 4.11Å; I121-K160 HydrophobicContact CD1-CG 3.67Å; F156-K160 WeakPolarHBondContact O-CB 3.26Å; F156-K160 PolarHBondContact O-N 3.3Å; L157-K160 PolarHBondContact O-N 3.11Å; L157-K160 VanDerWaalsContact O-N 3.16Å; K160-R163 PolarHBondContact O-N 3.29Å; K160-L164 HydrophobicContact CG-CD1 4.29Å; K160-L164 WeakPolarHBondContact O-CB 3.41Å; K160-L164 VanDerWaalsContact O-CG 3.25Å; K160-L164 WeakPolarHBondContact O-CG 3.23Å; K160-L164 PolarHBondContact O-N 3.38Å
161L91.3Very high86.7Confident0 Ų081.8 Ų81.80%039%0.394CS..Hα-helixtrans-60-48.1173.7-76.1166.9000110.6I121 I136 I139 L157 R163 L164 A165 I170 Y177I121-L161 HydrophobicContact CG2-CD2 3.5Å; I136-L161 HydrophobicContact CG1-CD1 4.05Å; I136-L161 HydrophobicContact CG2-CD1 4.43Å; I139-L161 HydrophobicContact CD1-CD1 4.16Å; I139-L161 HydrophobicContact CD1-CD2 4.11Å; L157-L161 HydrophobicContact CD1-CD1 3.89Å; L157-L161 HydrophobicContact CD1-CG 3.93Å; L157-L161 HydrophobicContact CG-CD1 3.83Å; L157-L161 HydrophobicContact CG-CG 4.34Å; L157-L161 WeakPolarHBondContact O-CB 3.47Å; L157-L161 WeakPolarHBondContact O-CG 3.29Å; L157-L161 PolarHBondContact O-N 3.01Å; L161-R163 PolarHBondContact O-N 2.89Å; L161-L164 WeakPolarHBondContact O-CB 3.38Å; L161-L164 PolarHBondContact O-N 3.49Å; L161-L164 VanDerWaalsContact O-N 3.1Å; L161-A165 PolarHBondContact O-N 3.38Å; L161-I170 HydrophobicContact CB-CD1 4.24Å; L161-I170 HydrophobicContact CD2-CD1 3.54Å; L161-I170 WeakPolarHBondContact O-CD1 3.39Å; L161-Y177 HydrophobicContact CB-CD1 4Å; L161-Y177 HydrophobicContact CB-CD2 4.41Å; L161-Y177 HydrophobicContact CB-CE1 3.67Å; L161-Y177 HydrophobicContact CB-CE2 4.14Å; L161-Y177 HydrophobicContact CB-CG 4.35Å; L161-Y177 HydrophobicContact CD1-CD2 3.86Å; L161-Y177 HydrophobicContact CD1-CE2 3.84Å; L161-Y177 HydrophobicContact CD1-CG 4.38Å; L161-Y177 HydrophobicContact CD2-CD1 4.23Å; L161-Y177 HydrophobicContact CD2-CD2 4.29Å; L161-Y177 HydrophobicContact CD2-CG 3.99Å; L161-Y177 HydrophobicContact CG-CD2 4.43Å; L161-Y177 HydrophobicContact CG-CE2 4.49Å; L161-Y177 HydrophobicContact CG-CG 4.48Å
162R89.1Confident87.3Confident148 Ų14882.3 Ų82.356%0.55839%0.386SS*.Hα-helixtrans-55.7-49.6175.5-166.3-175.8-55.1167.72111.9A158 S159 L164 A165 D166A158-R162 WeakPolarHBondContact O-CB 3.43Å; A158-R162 PolarHBondContact O-N 3.41Å; S159-R162 PolarHBondContact O-N 2.9Å; R162-L164 VanDerWaalsContact C-N 3.29Å; R162-L164 PolarHBondContact O-N 2.94Å; R162-A165 WeakPolarHBondContact O-CB 3.29Å; R162-A165 PolarHBondContact O-N 2.96Å; R162-A165 VanDerWaalsContact O-N 3.1Å; R162-D166 PolarHBondContact O-N 3.47Å
163R89.4Confident87.5Confident162 Ų16281.2 Ų81.261%0.61138%0.377SS*.Hα-helixtrans-62.8-33.7177-69.9178.472.2-178.27113.3S159 K160 L161 S167S159-R163 VanDerWaalsContact O-CG 3.3Å; S159-R163 WeakPolarHBondContact O-CG 3.22Å; S159-R163 PolarHBondContact O-N 3.17Å; K160-R163 PolarHBondContact O-N 3.29Å; L161-R163 PolarHBondContact O-N 2.89Å; R163-S167 WeakPolarHBondContact O-CB 3.48Å; R163-S167 PolarHBondContact O-N 3.35Å; R163-S167 PolarHBondContact O-OG 3.46Å
164L89.1Confident87.3Confident14 Ų1487.2 Ų87.27%0.07341%0.409CS..Hα-helixtrans-69.7-37175.7-76.2168.9000111.1I121 M122 K160 L161 R162 S167 N168 K169 I170I121-L164 HydrophobicContact CB-CD1 4.29Å; I121-L164 HydrophobicContact CD1-CD1 4.05Å; I121-L164 HydrophobicContact CG2-CD1 3.95Å; M122-L164 HydrophobicContact CE-CB 4.24Å; M122-L164 HydrophobicContact CE-CD1 3.58Å; M122-L164 HydrophobicContact CE-CD2 3.56Å; M122-L164 HydrophobicContact CE-CG 3.98Å; K160-L164 HydrophobicContact CG-CD1 4.29Å; K160-L164 WeakPolarHBondContact O-CB 3.41Å; K160-L164 VanDerWaalsContact O-CG 3.25Å; K160-L164 WeakPolarHBondContact O-CG 3.23Å; K160-L164 PolarHBondContact O-N 3.38Å; L161-L164 WeakPolarHBondContact O-CB 3.38Å; L161-L164 PolarHBondContact O-N 3.49Å; L161-L164 VanDerWaalsContact O-N 3.1Å; R162-L164 VanDerWaalsContact C-N 3.29Å; R162-L164 PolarHBondContact O-N 2.94Å; L164-S167 WeakPolarHBondContact CA-OG 3.28Å; L164-S167 CarbonylContact O-C 3.56Å; L164-S167 PolarHBondContact O-N 2.99Å; L164-S167 PolarHBondContact O-OG 2.73Å; L164-N168 PolarHBondContact O-N 3.22Å; L164-K169 HydrophobicContact CD2-CB 4.24Å; L164-K169 HydrophobicContact CD2-CD 3.92Å; L164-K169 PolarHBondContact O-N 3.33Å; L164-I170 HydrophobicContact CB-CD1 3.67Å; L164-I170 HydrophobicContact CB-CG1 3.77Å
165A89.3Confident87.2Confident22 Ų2287.2 Ų87.218%0.18241%0.413CS..Hα-helixtrans-64.9-44.4172.700000111.4L161 R162 S167 N168 I170 K172L161-A165 PolarHBondContact O-N 3.38Å; R162-A165 WeakPolarHBondContact O-CB 3.29Å; R162-A165 PolarHBondContact O-N 2.96Å; R162-A165 VanDerWaalsContact O-N 3.1Å; A165-S167 VanDerWaalsContact C-N 3.26Å; A165-S167 PolarHBondContact O-N 2.82Å; A165-N168 WeakPolarHBondContact O-CA 3.35Å; A165-N168 PolarHBondContact O-N 3.17Å; A165-I170 WeakPolarHBondContact CA-O 3.37Å; A165-I170 HydrophobicContact CB-CG1 4.03Å; A165-K172 HydrophobicContact CB-CB 4.23Å
166D88.8Confident87.2Confident124 Ų12478 Ų7866%0.66338%0.383SS*.Hα-helixtrans-62-35175.2-57.1-28.7000112R162 N168R162-D166 PolarHBondContact O-N 3.47Å; D166-N168 PolarHBondContact O-N 2.78Å
167S87Confident87.2Confident66 Ų6672.3 Ų72.346%0.46236%0.357SS..THydrogen-bonded Turntrans-78.24.6174.771.70000114.4R163 L164 A165 K169R163-S167 WeakPolarHBondContact O-CB 3.48Å; R163-S167 PolarHBondContact O-N 3.35Å; R163-S167 PolarHBondContact O-OG 3.46Å; L164-S167 WeakPolarHBondContact CA-OG 3.28Å; L164-S167 CarbonylContact O-C 3.56Å; L164-S167 PolarHBondContact O-N 2.99Å; L164-S167 PolarHBondContact O-OG 2.73Å; A165-S167 VanDerWaalsContact C-N 3.26Å; A165-S167 PolarHBondContact O-N 2.82Å; S167-K169 PolarHBondContact O-N 3.21Å; S167-K169 WeakPolarHBondContact OG-CG 3.36Å
168N82.7Confident87Confident135 Ų13575.8 Ų75.872%0.72237%0.37SS*.THydrogen-bonded Turntrans59.527.3-178.9-134.7-56.6000114L164 A165 D166L164-N168 PolarHBondContact O-N 3.22Å; A165-N168 WeakPolarHBondContact O-CA 3.35Å; A165-N168 PolarHBondContact O-N 3.17Å; D166-N168 PolarHBondContact O-N 2.78Å
169K83.6Confident86.7Confident111 Ų11175.5 Ų75.548%0.48336%0.364SS..SBendtrans-92.9-24.3177.4-68.3-173.2119.3-67.60113.1M122 L164 S167 L179 P180M122-K169 HydrophobicContact CE-CB 3.86Å; M122-K169 HydrophobicContact SD-CB 4.42Å; L164-K169 HydrophobicContact CD2-CB 4.24Å; L164-K169 HydrophobicContact CD2-CD 3.92Å; L164-K169 PolarHBondContact O-N 3.33Å; S167-K169 PolarHBondContact O-N 3.21Å; S167-K169 WeakPolarHBondContact OG-CG 3.36Å; K169-L179 WeakPolarHBondContact O-CD1 3.1Å; K169-P180 VanDerWaalsContact O-CD 3.26Å; K169-P180 WeakPolarHBondContact O-CD 3.4Å
170I86.8Confident86Confident4 Ų474 Ų742%0.02135%0.353CS..SBendtrans-135.5156.1173.464.9-179.7000107.5M122 L125 L161 L164 A165 Y177 R178 L179M122-I170 HydrophobicContact CE-CG2 3.48Å; M122-I170 VanDerWaalsContact CE-CG2 3.48Å; M122-I170 HydrophobicContact SD-CG2 3.9Å; L125-I170 HydrophobicContact CD1-CB 4.16Å; L125-I170 HydrophobicContact CD1-CD1 4.38Å; L125-I170 HydrophobicContact CD1-CG2 3.42Å; L125-I170 VanDerWaalsContact CD1-CG2 3.42Å; L161-I170 HydrophobicContact CB-CD1 4.24Å; L161-I170 HydrophobicContact CD2-CD1 3.54Å; L161-I170 WeakPolarHBondContact O-CD1 3.39Å; L164-I170 HydrophobicContact CB-CD1 3.67Å; L164-I170 HydrophobicContact CB-CG1 3.77Å; A165-I170 WeakPolarHBondContact CA-O 3.37Å; A165-I170 HydrophobicContact CB-CG1 4.03Å; I170-Y177 HydrophobicContact CD1-CD1 3.64Å; I170-Y177 HydrophobicContact CD1-CE1 4.45Å; I170-Y177 HydrophobicContact CD1-CG 4.23Å; I170-Y177 HydrophobicContact CG1-CD1 4.35Å; I170-R178 CarbonylContact C-O 3.59Å; I170-R178 WeakPolarHBondContact CA-O 3.43Å; I170-R178 WeakPolarHBondContact CB-O 3.37Å; I170-L179 HydrophobicContact CG2-CD1 4.27Å
171E85.6Confident84.7Confident81 Ų8176.6 Ų76.638%0.37937%0.37SS..EExtended strand (participates in β ladder)trans-104.8135.2173.6-169.6178179.700109Y177 R178E171-Y177 CarbonylContact O-C 3.57Å; E171-Y177 WeakPolarHBondContact O-CA 3.47Å; E171-R178 HydrophobicContact CB-CG 3.92Å; E171-R178 PolarHBondContact N-O 3.27Å; E171-R178 PolarHBondContact O-N 3.16Å; E171-R178 IonicContact OE1-NH2 3.19Å; E171-R178 PolarHBondContact OE1-NH2 3.04Å; E171-R178 IonicContact OE2-CZ 2.99Å; E171-R178 IonicContact OE2-NE 3.2Å; E171-R178 PolarHBondContact OE2-NE 2.81Å; E171-R178 IonicContact OE2-NH2 2.76Å; E171-R178 PolarHBondContact OE2-NH2 3.16Å
172K88.5Confident82.9Confident115 Ų11582 Ų8250%0.541%0.408SS..EExtended strand (participates in β ladder)trans-96.5117.7176.7-177.7-173.4171-163.20108.9A165 D174 Y177A165-K172 HydrophobicContact CB-CB 4.23Å; K172-D174 WeakPolarHBondContact CE-O 3.43Å; K172-Y177 HydrophobicContact CB-CD1 4.11Å; K172-Y177 HydrophobicContact CB-CE1 4.02Å; K172-Y177 HydrophobicContact CD-CE1 4.12Å; K172-Y177 HydrophobicContact CG-CD1 4.2Å; K172-Y177 HydrophobicContact CG-CE1 3.79Å
173I83.8Confident81.2Confident51 Ų5180.7 Ų80.726%0.26241%0.412SS..EExtended strand (participates in β ladder)trans-108.498.3174.8-58.7169.3000107.7K175 S176 R178I173-K175 PolarHBondContact O-N 3.43Å; I173-S176 CarbonylContact C-O 3.57Å; I173-S176 PolarHBondContact N-O 2.83Å; I173-S176 WeakPolarHBondContact O-CA 3.05Å; I173-S176 PolarHBondContact O-N 3.23Å; I173-R178 HydrophobicContact CD1-CB 4.3Å; I173-R178 VanDerWaalsContact CD1-CD 3.43Å; I173-R178 HydrophobicContact CD1-CG 3.67Å; I173-R178 HydrophobicContact CG1-CG 4.35Å
174D81.4Confident79.3Confident128 Ų12877 Ų7768%0.68442%0.415SS*.THydrogen-bonded Turntrans52.3-95.5-177.9-167.253.3000113.5K172K172-D174 WeakPolarHBondContact CE-O 3.43Å
175K83.3Confident76.9Confident159 Ų15982.4 Ų82.469%0.69145%0.449SS*.THydrogen-bonded Turntrans-105.6-3.7177.6-64.8176.1-171.2178.90114.3I173I173-K175 PolarHBondContact O-N 3.43Å
176S85.6Confident74.7Confident24 Ų2492.1 Ų92.117%0.16848%0.481CS..EExtended strand (participates in β ladder)trans-111.4159.3-177.4-62.30000111.4N132 S134 I173N132-S176 WeakPolarHBondContact O-CB 3.45Å; S134-S176 CarbonylContact O-C 3.57Å; S134-S176 WeakPolarHBondContact O-CA 3.29Å; I173-S176 CarbonylContact C-O 3.57Å; I173-S176 PolarHBondContact N-O 2.83Å; I173-S176 WeakPolarHBondContact O-CA 3.05Å; I173-S176 PolarHBondContact O-N 3.23Å
177Y87.7Confident72.3Confident13 Ų1392.3 Ų92.35%0.05149%0.487CS..EExtended strand (participates in β ladder)trans-124.5135.2177.5-61-94.1000109.1L125 G133 S134 I136 I139 L161 I170 E171 K172L125-Y177 WeakPolarHBondContact CD2-O 3.25Å; G133-Y177 CarbonylContact C-O 3.52Å; G133-Y177 WeakPolarHBondContact CA-O 3.49Å; S134-Y177 PolarHBondContact N-O 3.26Å; S134-Y177 PolarHBondContact O-N 3.39Å; I136-Y177 HydrophobicContact CD1-CE2 4.02Å; I136-Y177 HydrophobicContact CG1-CD2 4.24Å; I136-Y177 HydrophobicContact CG1-CE2 3.63Å; I139-Y177 HydrophobicContact CD1-CD2 4.37Å; L161-Y177 HydrophobicContact CB-CD1 4Å; L161-Y177 HydrophobicContact CB-CD2 4.41Å; L161-Y177 HydrophobicContact CB-CE1 3.67Å; L161-Y177 HydrophobicContact CB-CE2 4.14Å; L161-Y177 HydrophobicContact CB-CG 4.35Å; L161-Y177 HydrophobicContact CD1-CD2 3.86Å; L161-Y177 HydrophobicContact CD1-CE2 3.84Å; L161-Y177 HydrophobicContact CD1-CG 4.38Å; L161-Y177 HydrophobicContact CD2-CD1 4.23Å; L161-Y177 HydrophobicContact CD2-CD2 4.29Å; L161-Y177 HydrophobicContact CD2-CG 3.99Å; L161-Y177 HydrophobicContact CG-CD2 4.43Å; L161-Y177 HydrophobicContact CG-CE2 4.49Å; L161-Y177 HydrophobicContact CG-CG 4.48Å; I170-Y177 HydrophobicContact CD1-CD1 3.64Å; I170-Y177 HydrophobicContact CD1-CE1 4.45Å; I170-Y177 HydrophobicContact CD1-CG 4.23Å; I170-Y177 HydrophobicContact CG1-CD1 4.35Å; E171-Y177 CarbonylContact O-C 3.57Å; E171-Y177 WeakPolarHBondContact O-CA 3.47Å; K172-Y177 HydrophobicContact CB-CD1 4.11Å; K172-Y177 HydrophobicContact CB-CE1 4.02Å; K172-Y177 HydrophobicContact CD-CE1 4.12Å; K172-Y177 HydrophobicContact CG-CD1 4.2Å; K172-Y177 HydrophobicContact CG-CE1 3.79Å
178R86.3Confident69.9Low74 Ų7495.3 Ų95.328%0.27951%0.505SS..EExtended strand (participates in β ladder)trans-126.5160.1173.273.2166.5179.6-170.43.3110.9I170 E171 I173I170-R178 CarbonylContact C-O 3.59Å; I170-R178 WeakPolarHBondContact CA-O 3.43Å; I170-R178 WeakPolarHBondContact CB-O 3.37Å; E171-R178 HydrophobicContact CB-CG 3.92Å; E171-R178 PolarHBondContact N-O 3.27Å; E171-R178 PolarHBondContact O-N 3.16Å; E171-R178 IonicContact OE1-NH2 3.19Å; E171-R178 PolarHBondContact OE1-NH2 3.04Å; E171-R178 IonicContact OE2-CZ 2.99Å; E171-R178 IonicContact OE2-NE 3.2Å; E171-R178 PolarHBondContact OE2-NE 2.81Å; E171-R178 IonicContact OE2-NH2 2.76Å; E171-R178 PolarHBondContact OE2-NH2 3.16Å; I173-R178 HydrophobicContact CD1-CB 4.3Å; I173-R178 VanDerWaalsContact CD1-CD 3.43Å; I173-R178 HydrophobicContact CD1-CG 3.67Å; I173-R178 HydrophobicContact CG1-CG 4.35Å
179L82.4Confident68Low25 Ų2593 Ų9313%0.13151%0.505CS..  trans-77.8137.6168.5-160.672000109M122 L126 K169 I170 D181 L183M122-L179 HydrophobicContact SD-CD1 3.73Å; L126-L179 HydrophobicContact CD2-CD2 3.34Å; L126-L179 HydrophobicContact CG-CD2 3.85Å; K169-L179 WeakPolarHBondContact O-CD1 3.1Å; I170-L179 HydrophobicContact CG2-CD1 4.27Å; L179-D181 PolarHBondContact O-N 3.3Å; L179-L183 HydrophobicContact CD1-CD1 4.36Å; L179-L183 HydrophobicContact CD2-CB 4Å; L179-L183 HydrophobicContact CD2-CD1 3.87Å; L179-L183 HydrophobicContact CG-CD1 4.21Å
180P73.9Confident66Low31 Ų3192.3 Ų92.320%0.20151%0.511CS..  trans-61.5135173.921.9-31.5000110K169 S182 L183K169-P180 VanDerWaalsContact O-CD 3.26Å; K169-P180 WeakPolarHBondContact O-CD 3.4Å; P180-S182 PolarHBondContact O-N 3.25Å; P180-L183 PolarHBondContact O-N 2.92Å
181D62.4Low63.8Low121 Ų12199.5 Ų99.565%0.64755%0.547SS*.G310 helixtrans-53.8-8-173-76.8-36.4000115.3L179 L183 A184L179-D181 PolarHBondContact O-N 3.3Å; D181-L183 PolarHBondContact O-N 3.31Å; D181-A184 PolarHBondContact O-N 3.43Å
182S54.2Low61.8Low115 Ų115103.6 Ų103.680%0.80457%0.571SS**G310 helixtrans-740.1-178.4-161.40000115.2P180P180-S182 PolarHBondContact O-N 3.25Å
183L53.9Low59.4Low120 Ų120102.6 Ų102.663%0.62859%0.585SS**G310 helixtrans-111.4-9.9175.7-75.3164.5000114.2L179 P180 D181 T185L179-L183 HydrophobicContact CD1-CD1 4.36Å; L179-L183 HydrophobicContact CD2-CB 4Å; L179-L183 HydrophobicContact CD2-CD1 3.87Å; L179-L183 HydrophobicContact CG-CD1 4.21Å; P180-L183 PolarHBondContact O-N 2.92Å; D181-L183 PolarHBondContact O-N 3.31Å; L183-T185 VanDerWaalsContact C-N 3.35Å; L183-T185 PolarHBondContact O-N 3.32Å; L183-T185 VanDerWaalsContact O-N 3.08Å
184A48.2Very low57.5Low84 Ų84105.8 Ų105.869%0.69461%0.612SS**  trans-85.973.1177.200000111D181 R186D181-A184 PolarHBondContact O-N 3.43Å; A184-R186 PolarHBondContact O-N 2.92Å
185T40.1Very low55.8Low127 Ų127104.4 Ų104.478%0.77962%0.617SS**  trans-78.2110.7171.2-46.70000109.9L183L183-T185 VanDerWaalsContact C-N 3.35Å; L183-T185 PolarHBondContact O-N 3.32Å; L183-T185 VanDerWaalsContact O-N 3.08Å
186R42.7Very low53.7Low226 Ų226102.5 Ų102.585%0.85362%0.622SS**  trans12894.6153.4-76175.668.5-174.70.4112.6A184A184-R186 PolarHBondContact O-N 2.92Å
187T38.4Very low51.5Low129 Ų129109.9 Ų109.979%0.79165%0.651SS**  -160.6120.6115.8-63.70000107.7
188P36.6Very low49.5Very low129 Ų129116.7 Ų116.784%0.83868%0.683SS**  trans-87.6117.3174.732.9-25.5000108.8
189A43.1Very low47.1Very low86 Ų86122.1 Ų122.171%0.71171%0.709SS**  trans-153.5142.6163.800000109.7
190P41.7Very low45.2Very low96 Ų96128.6 Ų128.662%0.62374%0.743SS**  trans-114.3-179.7-130.56.818.6000111.9
191M40Very low43.9Very low155 Ų155131.8 Ų131.876%0.76476%0.764SS**  trans60.299.9145.160.4-168.614700118
192N44.3Very low43.1Very low167 Ų167131.6 Ų131.689%0.89377%0.772SS**  -162.1103.9112.3-92.4-27.2000111.1
193A38.2Very low42.8Very low95 Ų95135.6 Ų135.679%0.78578%0.775SS**  trans-89.3129.7159.700000108.3
194S44Very low42.2Very low118 Ų118135.8 Ų135.883%0.82578%0.783SS**  trans-175.893.9153.5-79.50000106.4
195A46Very low42.1Very low98 Ų98137.7 Ų137.781%0.8179%0.791SS**  76.4137.180.800000113.9
196P37.9Very low42.3Very low120 Ų120140.9 Ų140.978%0.77980%0.795SS**  trans-96153.3-165.737.8-33.3000113.6
197K39.6Very low42.5Very low178 Ų178137 Ų13777%0.77480%0.796SS**  trans164.2135.9140.3-96.5167.3164.31800114.9
198Q46.7Very low42.8Very low156 Ų156136.3 Ų136.373%0.72980%0.796SS**  trans65.1113.5140-65.5173.5-110.700119.3
199K35.9Very low43.4Very low189 Ų189139.6 Ų139.682%0.82280%0.797SS**  90.3105.572.5-170.8-177.2-171.8-177.70112.4
200D41.3Very low43.3Very low160 Ų160139.9 Ų139.986%0.85680%0.8SS**  trans-160.8136.2141-139.7-66.2000111.1
201P46.6Very low43.6Very low99 Ų99143.7 Ų143.764%0.64381%0.813SS**  trans-113.9155.2-170.138-24.2000114.6
202S45.4Very low43.6Very low116 Ų116138.1 Ų138.181%0.81180%0.795SS**  trans160.5134.4155.2-77.70000107.4
203K48.7Very low43.5Very low200 Ų200138.3 Ų138.387%0.8780%0.795SS**  cis-163.6165.618-119.1172.9179172.70107.9
204P41.4Very low43.9Very low123 Ų123142.7 Ų142.780%0.79980%0.797SS**  trans-102158.7-152.338.8-35.1000115.2
205S45.1Very low44.1Very low124 Ų124143.2 Ų143.287%0.86780%0.8SS**  trans-145.3132.4162.21750000110.1
206K44.7Very low44.5Very low195 Ų195141.7 Ų141.785%0.84879%0.788SS**  trans-72.6128.4-169.8-64.6155.5170.8172.20111.6
207V47.7Very low45.7Very low145 Ų145140.9 Ų140.988%0.87979%0.785SS**  trans-149.2106.7134.6-170.10000108.6
208S44.9Very low47.3Very low113 Ų113135.1 Ų135.179%0.7977%0.767SS**  trans-71.3125.6171.6-49.10000110.4
209K47.7Very low49.1Very low198 Ų198132.8 Ų132.886%0.86177%0.765SS**  trans-153.2104.9137.5-148.2135.6-173.9173.20110.5I211K209-I211 PolarHBondContact O-N 2.99Å; K209-I211 VanDerWaalsContact O-N 3.14Å
210A41.7Very low51.5Low93 Ų93127 Ų12777%0.76975%0.753SS**  trans-57.6109.317300000110.1G212A210-G212 PolarHBondContact O-N 2.79Å
211I48.2Very low53.6Low176 Ų176124.3 Ų124.390%0.90374%0.738SS**  trans-85.868.3154.4-66.4165.6000105.2K209K209-I211 PolarHBondContact O-N 2.99Å; K209-I211 VanDerWaalsContact O-N 3.14Å
212G40Very low55.3Low37 Ų37125.9 Ų125.938%0.38174%0.737SS.*  trans-84.9101.8165.500000107A210 F214A210-G212 PolarHBondContact O-N 2.79Å; G212-F214 VanDerWaalsContact C-N 3.33Å; G212-F214 WeakPolarHBondContact O-CD2 3.49Å; G212-F214 WeakPolarHBondContact O-CE2 3.2Å; G212-F214 PolarHBondContact O-N 3.2Å
213L41.3Very low57.4Low171 Ų171123.3 Ų123.390%0.89572%0.722SS**  19.467.3129.3-147.976.4000116S215L213-S215 PolarHBondContact O-N 2.95Å
214F47.6Very low59.3Low188 Ų188116.6 Ų116.683%0.82570%0.704SS**  trans-90.785.2167.7-73.9-72.8000109G212 A216G212-F214 VanDerWaalsContact C-N 3.33Å; G212-F214 WeakPolarHBondContact O-CD2 3.49Å; G212-F214 WeakPolarHBondContact O-CE2 3.2Å; G212-F214 PolarHBondContact O-N 3.2Å; F214-A216 PolarHBondContact O-N 2.95Å
215S48.2Very low61.5Low128 Ų128116.4 Ų116.490%0.89569%0.694SS**  trans-69.874.6156178.40000108.4L213L213-S215 PolarHBondContact O-N 2.95Å
216A53.6Low63.6Low67 Ų67112.9 Ų112.955%0.55467%0.672SS**  trans-131.8110.4166.600000106.8F214 S218F214-A216 PolarHBondContact O-N 2.95Å; A216-S218 PolarHBondContact O-N 3.13Å
217S63.1Low65.8Low102 Ų102106.1 Ų106.171%0.71365%0.653SS**  trans-61.784.1173.1560000109.1
218S74.7Confident67.9Low57 Ų57102.1 Ų102.140%0.39964%0.635SS.*  trans-71.6131171.1177.20000107.9A216 A220 L221 E222A216-S218 PolarHBondContact O-N 3.13Å; S218-A220 PolarHBondContact O-N 3.36Å; S218-A220 PolarHBondContact OG-N 3.45Å; S218-L221 WeakPolarHBondContact O-CB 3.29Å; S218-L221 PolarHBondContact O-N 2.76Å; S218-E222 PolarHBondContact O-N 2.91Å
219P83.3Confident70.2Confident107 Ų107101.5 Ų101.570%0.69563%0.627SS**Hα-helixtrans-55.9-25.5176.621.4-32.3000112.5A223P219-A223 VanDerWaalsContact O-CB 3.29Å; P219-A223 WeakPolarHBondContact O-CB 3.45Å; P219-A223 PolarHBondContact O-N 2.98Å
220A85.9Confident72.3Confident69 Ų6999.4 Ų99.457%0.5762%0.617SS**Hα-helixtrans-70.3-38.2174.700000113.4S218 A224S218-A220 PolarHBondContact O-N 3.36Å; S218-A220 PolarHBondContact OG-N 3.45Å; A220-A224 WeakPolarHBondContact O-CB 3.41Å; A220-A224 PolarHBondContact O-N 3.41Å
221L85.2Confident74.8Confident102 Ų10298.9 Ų98.953%0.53460%0.604SS.*Hα-helixtrans-68.3-42.3177-174.781.4000110.4S218 A224 M225S218-L221 WeakPolarHBondContact O-CB 3.29Å; S218-L221 PolarHBondContact O-N 2.76Å; L221-A224 PolarHBondContact O-N 3.07Å; L221-M225 HydrophobicContact CD2-CE 4.43Å; L221-M225 HydrophobicContact CG-CE 4.49Å; L221-M225 WeakPolarHBondContact O-CG 3.28Å; L221-M225 PolarHBondContact O-N 3.41Å
222E83.7Confident76.9Confident133 Ų13393.1 Ų93.162%0.62158%0.583SS**Hα-helixtrans-68.3-39.1179.5-167.2148.9-176.400112S218 A224 M225 A226S218-E222 PolarHBondContact O-N 2.91Å; E222-A224 PolarHBondContact O-N 2.49Å; E222-M225 PolarHBondContact O-N 3.06Å; E222-A226 WeakPolarHBondContact O-CB 3.34Å; E222-A226 PolarHBondContact O-N 3.43Å
223A88.6Confident79.3Confident61 Ų6196.8 Ų96.850%0.50459%0.594SS.*Hα-helixtrans-62.5-40.1170.900000112.4P219 A226 A227P219-A223 VanDerWaalsContact O-CB 3.29Å; P219-A223 WeakPolarHBondContact O-CB 3.45Å; P219-A223 PolarHBondContact O-N 2.98Å; A223-A226 PolarHBondContact O-N 3.2Å; A223-A227 WeakPolarHBondContact O-CB 2.86Å; A223-A227 PolarHBondContact O-N 3.12Å
224A89.3Confident81.8Confident59 Ų5991.3 Ų91.349%0.48857%0.574SS.*Hα-helixtrans-66.3-41.9175.900000112.2A220 L221 E222 A227 A228A220-A224 WeakPolarHBondContact O-CB 3.41Å; A220-A224 PolarHBondContact O-N 3.41Å; L221-A224 PolarHBondContact O-N 3.07Å; E222-A224 PolarHBondContact O-N 2.49Å; A224-A227 PolarHBondContact O-N 2.82Å; A224-A228 WeakPolarHBondContact O-CB 3.36Å; A224-A228 PolarHBondContact O-N 3.33Å
225M87Confident83.9Confident120 Ų12088.6 Ų88.659%0.59156%0.563SS**Hα-helixtrans-63-44.5173.7-74.3-176.5165.300111.6L221 E222 A227 A228 V229L221-M225 HydrophobicContact CD2-CE 4.43Å; L221-M225 HydrophobicContact CG-CE 4.49Å; L221-M225 WeakPolarHBondContact O-CG 3.28Å; L221-M225 PolarHBondContact O-N 3.41Å; E222-M225 PolarHBondContact O-N 3.06Å; M225-A227 VanDerWaalsContact C-N 3.33Å; M225-A227 PolarHBondContact O-N 3.05Å; M225-A228 PolarHBondContact O-N 2.88Å; M225-V229 WeakPolarHBondContact O-CG2 3.28Å; M225-V229 PolarHBondContact O-N 3.35Å
226A89.2Confident86.1Confident49 Ų4985 Ų8541%0.40554%0.541SS..Hα-helixtrans-62.6-38.4175.900000112.3E222 A223 K230E222-A226 WeakPolarHBondContact O-CB 3.34Å; E222-A226 PolarHBondContact O-N 3.43Å; A223-A226 PolarHBondContact O-N 3.2Å; A226-K230 WeakPolarHBondContact O-CG 3.41Å; A226-K230 PolarHBondContact O-N 3.03Å; A226-K230 VanDerWaalsContact O-N 3.09Å
227A92Very high88Confident53 Ų5389 Ų8944%0.43855%0.546SS..Hα-helixtrans-65.1-43.5173.400000111.8A223 A224 M225 V229 K230 V231A223-A227 WeakPolarHBondContact O-CB 2.86Å; A223-A227 PolarHBondContact O-N 3.12Å; A224-A227 PolarHBondContact O-N 2.82Å; M225-A227 VanDerWaalsContact C-N 3.33Å; M225-A227 PolarHBondContact O-N 3.05Å; A227-V229 PolarHBondContact O-N 2.84Å; A227-K230 PolarHBondContact O-N 3.39Å; A227-V231 WeakPolarHBondContact O-CG2 3.19Å; A227-V231 PolarHBondContact O-N 2.99Å
228A91.9Very high89.4Confident61 Ų6187 Ų8750%0.50454%0.536SS..Hα-helixtrans-62.3-41.8177.500000112.3A224 M225 V231 A232A224-A228 WeakPolarHBondContact O-CB 3.36Å; A224-A228 PolarHBondContact O-N 3.33Å; M225-A228 PolarHBondContact O-N 2.88Å; A228-V231 PolarHBondContact O-N 2.84Å; A228-A232 PolarHBondContact O-N 2.86Å
229V92.1Very high90.2Very high101 Ų10189.6 Ų89.661%0.61254%0.542SS*.Hα-helixtrans-63-42.1175171.80000111.2M225 A227 A232 D233M225-V229 WeakPolarHBondContact O-CG2 3.28Å; M225-V229 PolarHBondContact O-N 3.35Å; A227-V229 PolarHBondContact O-N 2.84Å; V229-A232 PolarHBondContact O-N 2.95Å; V229-D233 WeakPolarHBondContact O-CB 3.42Å; V229-D233 PolarHBondContact O-N 2.77Å
230K92.7Very high90.5Very high153 Ų15389 Ų8967%0.66553%0.533SS*.Hα-helixtrans-65.5-38.1176.8-74.9179.2-178.5-178.30112.9A226 A227 A234A226-K230 WeakPolarHBondContact O-CG 3.41Å; A226-K230 PolarHBondContact O-N 3.03Å; A226-K230 VanDerWaalsContact O-N 3.09Å; A227-K230 PolarHBondContact O-N 3.39Å; K230-A234 VanDerWaalsContact O-CB 3.29Å; K230-A234 WeakPolarHBondContact O-CB 3.42Å; K230-A234 PolarHBondContact O-N 3.06Å
231V92.7Very high90.9Very high82 Ų8288 Ų8850%0.49752%0.524SS..Hα-helixtrans-64.9-45.3175172.30000110.2A227 A228 D233 A234 E235A227-V231 WeakPolarHBondContact O-CG2 3.19Å; A227-V231 PolarHBondContact O-N 2.99Å; A228-V231 PolarHBondContact O-N 2.84Å; V231-D233 PolarHBondContact O-N 2.94Å; V231-A234 PolarHBondContact O-N 3.48Å; V231-E235 HydrophobicContact CG1-CG 4.44Å; V231-E235 WeakPolarHBondContact O-CG 3.36Å; V231-E235 PolarHBondContact O-N 3.5Å
232A92.2Very high91.4Very high55 Ų5588.2 Ų88.246%0.45552%0.522SS..Hα-helixtrans-62.5-40.917700000113A228 V229 E235 A236A228-A232 PolarHBondContact O-N 2.86Å; V229-A232 PolarHBondContact O-N 2.95Å; A232-E235 PolarHBondContact O-N 3.25Å; A232-A236 WeakPolarHBondContact O-CB 3.47Å; A232-A236 PolarHBondContact O-N 3.02Å
233D91.1Very high91.7Very high114 Ų11485.6 Ų85.661%0.6151%0.512SS*.Hα-helixtrans-65.4-40.8174.8-174.961.3000111.9V229 V231 A236 K237V229-D233 WeakPolarHBondContact O-CB 3.42Å; V229-D233 PolarHBondContact O-N 2.77Å; V231-D233 PolarHBondContact O-N 2.94Å; D233-A236 PolarHBondContact O-N 3.04Å; D233-K237 WeakPolarHBondContact O-CB 3.39Å; D233-K237 PolarHBondContact O-N 3.17Å
234A93.7Very high91.9Very high57 Ų5789.5 Ų89.547%0.47152%0.52SS..Hα-helixtrans-64.9-40.9175.800000112.3K230 V231 K237 A238K230-A234 VanDerWaalsContact O-CB 3.29Å; K230-A234 WeakPolarHBondContact O-CB 3.42Å; K230-A234 PolarHBondContact O-N 3.06Å; V231-A234 PolarHBondContact O-N 3.48Å; A234-K237 PolarHBondContact O-N 3.07Å; A234-A238 WeakPolarHBondContact O-CB 3.49Å; A234-A238 PolarHBondContact O-N 2.98Å
235E91.9Very high92.2Very high131 Ų13190.1 Ų90.161%0.61252%0.518SS*.Hα-helixtrans-66.3-43.4175.4-74.4177.3-179.600112V231 A232 K237 A238 H239V231-E235 HydrophobicContact CG1-CG 4.44Å; V231-E235 WeakPolarHBondContact O-CG 3.36Å; V231-E235 PolarHBondContact O-N 3.5Å; A232-E235 PolarHBondContact O-N 3.25Å; E235-K237 VanDerWaalsContact C-N 3.34Å; E235-K237 PolarHBondContact O-N 3.37Å; E235-A238 PolarHBondContact O-N 2.95Å; E235-H239 PolarHBondContact O-N 3.36Å
236A93.5Very high92.6Very high51 Ų5188.7 Ų88.742%0.42151%0.511SS..Hα-helixtrans-60.1-44.8174.600000111.4A232 D233 A238 H239 D240A232-A236 WeakPolarHBondContact O-CB 3.47Å; A232-A236 PolarHBondContact O-N 3.02Å; D233-A236 PolarHBondContact O-N 3.04Å; A236-A238 PolarHBondContact O-N 3.34Å; A236-H239 PolarHBondContact O-N 3.49Å; A236-D240 PolarHBondContact O-N 2.64Å
237K93.5Very high92.8Very high152 Ų15290.4 Ų90.466%0.66151%0.51SS*.Hα-helixtrans-65.2-36.5176.2-173.1174.1-177.8177.10112.9D233 A234 E235 A241D233-K237 WeakPolarHBondContact O-CB 3.39Å; D233-K237 PolarHBondContact O-N 3.17Å; A234-K237 PolarHBondContact O-N 3.07Å; E235-K237 VanDerWaalsContact C-N 3.34Å; E235-K237 PolarHBondContact O-N 3.37Å; K237-A241 WeakPolarHBondContact O-CB 3.33Å; K237-A241 PolarHBondContact O-N 2.99Å
238A92.5Very high92.9Very high61 Ų6190.6 Ų90.650%0.50451%0.512SS..Hα-helixtrans-67-39.1175.800000111.8A234 E235 A236 A241 H242A234-A238 WeakPolarHBondContact O-CB 3.49Å; A234-A238 PolarHBondContact O-N 2.98Å; E235-A238 PolarHBondContact O-N 2.95Å; A236-A238 PolarHBondContact O-N 3.34Å; A238-A241 PolarHBondContact O-N 3.06Å; A238-H242 PolarHBondContact O-N 2.82Å
239H93.1Very high93.1Very high111 Ų11193.4 Ų93.451%0.51452%0.515SS..Hα-helixtrans-62.8-48.8173.4-176.9-74.6000111.5E235 A236 A241 H242 D243E235-H239 PolarHBondContact O-N 3.36Å; A236-H239 PolarHBondContact O-N 3.49Å; H239-A241 VanDerWaalsContact C-N 3.29Å; H239-A241 PolarHBondContact O-N 3.47Å; H239-H242 WeakPolarHBondContact O-CB 3.28Å; H239-H242 PolarHBondContact O-N 2.84Å; H239-H242 VanDerWaalsContact O-N 3.13Å; H239-D243 IonicContact CE1-OD1 2.65Å; H239-D243 IonicContact CE1-OD2 3.73Å; H239-D243 PolarHBondContact CE1-OD2 3.33Å; H239-D243 IonicContact ND1-OD2 2.99Å; H239-D243 PolarHBondContact ND1-OD2 3.41Å; H239-D243 PolarHBondContact O-N 3.27Å
240D89.2Confident93.3Very high95 Ų9594.7 Ų94.751%0.50851%0.509SS..Hα-helixtrans-60.4-39177.7-72.5-12.9000112A236 D243 Q244A236-D240 PolarHBondContact O-N 2.64Å; D240-D243 PolarHBondContact O-N 3.44Å; D240-Q244 VanDerWaalsContact O-CG 3.29Å; D240-Q244 WeakPolarHBondContact O-CG 3.03Å; D240-Q244 PolarHBondContact O-N 3.44Å
241A94.3Very high93.4Very high46 Ų4691.9 Ų91.938%0.3850%0.5SS..Hα-helixtrans-65.3-40.8175.100000111.9K237 A238 H239 Q244 T245K237-A241 WeakPolarHBondContact O-CB 3.33Å; K237-A241 PolarHBondContact O-N 2.99Å; A238-A241 PolarHBondContact O-N 3.06Å; H239-A241 VanDerWaalsContact C-N 3.29Å; H239-A241 PolarHBondContact O-N 3.47Å; A241-Q244 PolarHBondContact O-N 2.98Å; A241-T245 WeakPolarHBondContact O-CG2 3.26Å; A241-T245 PolarHBondContact O-N 3.24Å; A241-T245 PolarHBondContact O-OG1 3.19Å
242H94.5Very high93.5Very high107 Ų10794 Ų9450%0.49550%0.503SS..Hα-helixtrans-62.7-46.2175.3179.457.7000111.8A238 H239 Q244 T245 M246A238-H242 PolarHBondContact O-N 2.82Å; H239-H242 WeakPolarHBondContact O-CB 3.28Å; H239-H242 PolarHBondContact O-N 2.84Å; H239-H242 VanDerWaalsContact O-N 3.13Å; H242-Q244 VanDerWaalsContact C-N 3.28Å; H242-Q244 PolarHBondContact O-N 3.24Å; H242-T245 WeakPolarHBondContact CA-OG1 3.41Å; H242-T245 PolarHBondContact O-N 2.75Å; H242-T245 VanDerWaalsContact O-N 3.07Å; H242-T245 PolarHBondContact O-OG1 2.83Å; H242-M246 WeakPolarHBondContact O-CG 3.35Å; H242-M246 PolarHBondContact O-N 3.5Å
243D90.6Very high93.6Very high78 Ų7897.6 Ų97.642%0.41751%0.508SS..Hα-helixtrans-59.9-39.7176.9-75.1-15000111.9H239 D240 M246 E247H239-D243 IonicContact CE1-OD1 2.65Å; H239-D243 IonicContact CE1-OD2 3.73Å; H239-D243 PolarHBondContact CE1-OD2 3.33Å; H239-D243 IonicContact ND1-OD2 2.99Å; H239-D243 PolarHBondContact ND1-OD2 3.41Å; H239-D243 PolarHBondContact O-N 3.27Å; D240-D243 PolarHBondContact O-N 3.44Å; D243-M246 PolarHBondContact O-N 3.22Å; D243-E247 PolarHBondContact O-N 2.82Å
244Q93.5Very high93.9Very high143 Ų14396.9 Ų96.967%0.66850%0.502SS*.Hα-helixtrans-63.6-40.5174-74.21767.700112.3D240 A241 H242 A248D240-Q244 VanDerWaalsContact O-CG 3.29Å; D240-Q244 WeakPolarHBondContact O-CG 3.03Å; D240-Q244 PolarHBondContact O-N 3.44Å; A241-Q244 PolarHBondContact O-N 2.98Å; H242-Q244 VanDerWaalsContact C-N 3.28Å; H242-Q244 PolarHBondContact O-N 3.24Å; Q244-A248 WeakPolarHBondContact O-CB 3.34Å; Q244-A248 PolarHBondContact O-N 3.45Å
245T95.3Very high94Very high72 Ų7296.4 Ų96.444%0.44250%0.498SS..Hα-helixtrans-64.5-41.3175.555.30000112A241 H242 E247 A248 E249A241-T245 WeakPolarHBondContact O-CG2 3.26Å; A241-T245 PolarHBondContact O-N 3.24Å; A241-T245 PolarHBondContact O-OG1 3.19Å; H242-T245 WeakPolarHBondContact CA-OG1 3.41Å; H242-T245 PolarHBondContact O-N 2.75Å; H242-T245 VanDerWaalsContact O-N 3.07Å; H242-T245 PolarHBondContact O-OG1 2.83Å; T245-E247 PolarHBondContact O-N 3.06Å; T245-A248 PolarHBondContact O-N 2.87Å; T245-E249 WeakPolarHBondContact O-CG 3.46Å; T245-E249 PolarHBondContact O-N 3.09Å
246M95.4Very high94.2Very high91 Ų9194.5 Ų94.545%0.44849%0.49SS..Hα-helixtrans-65-40.1178.5-67.1-55-5200112.5H242 D243 R250H242-M246 WeakPolarHBondContact O-CG 3.35Å; H242-M246 PolarHBondContact O-N 3.5Å; D243-M246 PolarHBondContact O-N 3.22Å; M246-R250 WeakPolarHBondContact O-CB 3.49Å; M246-R250 PolarHBondContact O-N 3.5Å
247E92.7Very high94.3Very high84 Ų8496.7 Ų96.739%0.39349%0.494SS..Hα-helixtrans-70.7-36.5175.2-176.559.2-158.500111.8D243 T245 R250 I251D243-E247 PolarHBondContact O-N 2.82Å; T245-E247 PolarHBondContact O-N 3.06Å; E247-R250 WeakPolarHBondContact O-CB 3.34Å; E247-R250 PolarHBondContact O-N 3.33Å; E247-R250 IonicContact OE1-CZ 3.86Å; E247-R250 IonicContact OE1-NE 2.92Å; E247-R250 PolarHBondContact OE1-NE 3.49Å; E247-R250 VanDerWaalsContact OE1-NE 3.09Å; E247-R250 IonicContact OE1-NH2 3.3Å; E247-R250 PolarHBondContact OE1-NH2 3.27Å; E247-R250 IonicContact OE2-CZ 3.26Å; E247-R250 IonicContact OE2-NE 3.75Å; E247-R250 PolarHBondContact OE2-NE 3.04Å; E247-I251 HydrophobicContact CG-CD1 4.01Å; E247-I251 HydrophobicContact CG-CG1 4.49Å; E247-I251 WeakPolarHBondContact O-CG1 3.43Å; E247-I251 PolarHBondContact O-N 2.92Å
248A95.2Very high94.4Very high58 Ų5893.9 Ų93.948%0.47949%0.49SS..Hα-helixtrans-62.3-43.4174.400000111.7Q244 T245 R250 I251 F252Q244-A248 WeakPolarHBondContact O-CB 3.34Å; Q244-A248 PolarHBondContact O-N 3.45Å; T245-A248 PolarHBondContact O-N 2.87Å; A248-R250 VanDerWaalsContact C-N 3.34Å; A248-R250 PolarHBondContact O-N 3.26Å; A248-I251 PolarHBondContact O-N 3.2Å; A248-F252 WeakPolarHBondContact O-CB 3.32Å; A248-F252 PolarHBondContact O-N 3.17Å
249E94.5Very high94.6Very high119 Ų11996.9 Ų96.956%0.55649%0.493SS*.Hα-helixtrans-61.5-40.9173.3-74.8-178.417700112T245 I251 F252 K253T245-E249 WeakPolarHBondContact O-CG 3.46Å; T245-E249 PolarHBondContact O-N 3.09Å; E249-I251 PolarHBondContact O-N 3.34Å; E249-F252 PolarHBondContact O-N 2.99Å; E249-K253 PolarHBondContact O-N 2.93Å
250R97.1Very high94.6Very high128 Ų12894.6 Ų94.648%0.48349%0.49SS..Hα-helixtrans-62-44176.4-164.2-17078.973.37.9111.8M246 E247 A248 M254M246-R250 WeakPolarHBondContact O-CB 3.49Å; M246-R250 PolarHBondContact O-N 3.5Å; E247-R250 WeakPolarHBondContact O-CB 3.34Å; E247-R250 PolarHBondContact O-N 3.33Å; E247-R250 IonicContact OE1-CZ 3.86Å; E247-R250 IonicContact OE1-NE 2.92Å; E247-R250 PolarHBondContact OE1-NE 3.49Å; E247-R250 VanDerWaalsContact OE1-NE 3.09Å; E247-R250 IonicContact OE1-NH2 3.3Å; E247-R250 PolarHBondContact OE1-NH2 3.27Å; E247-R250 IonicContact OE2-CZ 3.26Å; E247-R250 IonicContact OE2-NE 3.75Å; E247-R250 PolarHBondContact OE2-NE 3.04Å; A248-R250 VanDerWaalsContact C-N 3.34Å; A248-R250 PolarHBondContact O-N 3.26Å; R250-M254 PolarHBondContact NH1-SD 2.87Å; R250-M254 WeakPolarHBondContact O-CG 3.39Å; R250-M254 PolarHBondContact O-N 2.94Å
251I96Very high94.8Very high94 Ų9495.7 Ų95.748%0.48250%0.495SS..Hα-helixtrans-67.5-41177.7-68.1168.1000110.5E247 A248 E249 M254 A255E247-I251 HydrophobicContact CG-CD1 4.01Å; E247-I251 HydrophobicContact CG-CG1 4.49Å; E247-I251 WeakPolarHBondContact O-CG1 3.43Å; E247-I251 PolarHBondContact O-N 2.92Å; A248-I251 PolarHBondContact O-N 3.2Å; E249-I251 PolarHBondContact O-N 3.34Å; I251-M254 PolarHBondContact O-N 3.03Å; I251-A255 PolarHBondContact O-N 3.45Å
252F94Very high94.9Very high128 Ų12899.4 Ų99.456%0.56151%0.508SS*.Hα-helixtrans-61-47.6177.6-174.9-100.9000111.6A248 E249 M254 A255 E256A248-F252 WeakPolarHBondContact O-CB 3.32Å; A248-F252 PolarHBondContact O-N 3.17Å; E249-F252 PolarHBondContact O-N 2.99Å; F252-M254 VanDerWaalsContact C-N 3.32Å; F252-M254 PolarHBondContact O-N 2.95Å; F252-A255 WeakPolarHBondContact O-CA 3.42Å; F252-A255 WeakPolarHBondContact O-CB 3.02Å; F252-A255 PolarHBondContact O-N 3.17Å; F252-E256 HydrophobicContact CD1-CG 4.24Å; F252-E256 HydrophobicContact CE1-CG 3.88Å; F252-E256 WeakPolarHBondContact CE1-OE1 3.43Å; F252-E256 HydrophobicContact CZ-CG 4.1Å; F252-E256 WeakPolarHBondContact CZ-OE1 3.35Å; F252-E256 PolarHBondContact O-N 3.29Å
253K95.1Very high94.9Very high130 Ų13098.4 Ų98.457%0.56551%0.505SS*.Hα-helixtrans-57.4-43.3175.1-175.7173.2-176.9172.20112.5E249 A255 E256 D257E249-K253 PolarHBondContact O-N 2.93Å; K253-A255 VanDerWaalsContact C-N 3.32Å; K253-A255 PolarHBondContact O-N 2.94Å; K253-E256 PolarHBondContact O-N 3.34Å; K253-D257 PolarHBondContact O-N 3Å
254M96.5Very high94.9Very high99 Ų9999 Ų9949%0.48851%0.507SS..Hα-helixtrans-64-37.4175.6-72.1-176.667.700112.3R250 I251 F252 D257 T258R250-M254 PolarHBondContact NH1-SD 2.87Å; R250-M254 WeakPolarHBondContact O-CG 3.39Å; R250-M254 PolarHBondContact O-N 2.94Å; I251-M254 PolarHBondContact O-N 3.03Å; F252-M254 VanDerWaalsContact C-N 3.32Å; F252-M254 PolarHBondContact O-N 2.95Å; M254-D257 PolarHBondContact O-N 3.25Å; M254-T258 VanDerWaalsContact O-CG2 3.32Å; M254-T258 WeakPolarHBondContact O-CG2 3.38Å; M254-T258 PolarHBondContact O-N 3.46Å; M254-T258 PolarHBondContact O-OG1 3.03Å
255A96.7Very high94.9Very high47 Ų4794.4 Ų94.439%0.38849%0.494SS..Hα-helixtrans-65-45.617700000111.2I251 F252 K253 D257 T258 E259I251-A255 PolarHBondContact O-N 3.45Å; F252-A255 WeakPolarHBondContact O-CA 3.42Å; F252-A255 WeakPolarHBondContact O-CB 3.02Å; F252-A255 PolarHBondContact O-N 3.17Å; K253-A255 VanDerWaalsContact C-N 3.32Å; K253-A255 PolarHBondContact O-N 2.94Å; A255-D257 PolarHBondContact O-N 3.41Å; A255-T258 WeakPolarHBondContact CA-OG1 3.5Å; A255-T258 PolarHBondContact O-N 2.71Å; A255-T258 VanDerWaalsContact O-N 3.17Å; A255-T258 PolarHBondContact O-OG1 2.87Å; A255-E259 PolarHBondContact O-N 2.84Å
256E95.6Very high94.9Very high91 Ų9193.7 Ų93.743%0.42550%0.496SS..Hα-helixtrans-60.1-42.6175.2-69-176.5136.600112.3F252 K253 T258 E259 S260F252-E256 HydrophobicContact CD1-CG 4.24Å; F252-E256 HydrophobicContact CE1-CG 3.88Å; F252-E256 WeakPolarHBondContact CE1-OE1 3.43Å; F252-E256 HydrophobicContact CZ-CG 4.1Å; F252-E256 WeakPolarHBondContact CZ-OE1 3.35Å; F252-E256 PolarHBondContact O-N 3.29Å; K253-E256 PolarHBondContact O-N 3.34Å; E256-T258 VanDerWaalsContact C-N 3.32Å; E256-T258 PolarHBondContact O-N 3.36Å; E256-E259 PolarHBondContact O-N 2.89Å; E256-S260 WeakPolarHBondContact O-CB 3.32Å; E256-S260 PolarHBondContact O-N 3.49Å; E256-S260 PolarHBondContact O-OG 3.46Å
257D94.2Very high94.7Very high97 Ų9793.9 Ų93.952%0.51950%0.495SS..Hα-helixtrans-61.3-41.6175.3-74-20.1000111.1K253 M254 A255 L261K253-D257 PolarHBondContact O-N 3Å; M254-D257 PolarHBondContact O-N 3.25Å; A255-D257 PolarHBondContact O-N 3.41Å; D257-L261 WeakPolarHBondContact O-CB 3.36Å; D257-L261 PolarHBondContact O-N 3.22Å
258T95.9Very high94.7Very high92 Ų9291.8 Ų91.856%0.56449%0.486SS*.Hα-helixtrans-70.1-37.2177.856.80000113.2M254 A255 E256 L261 L262M254-T258 VanDerWaalsContact O-CG2 3.32Å; M254-T258 WeakPolarHBondContact O-CG2 3.38Å; M254-T258 PolarHBondContact O-N 3.46Å; M254-T258 PolarHBondContact O-OG1 3.03Å; A255-T258 WeakPolarHBondContact CA-OG1 3.5Å; A255-T258 PolarHBondContact O-N 2.71Å; A255-T258 VanDerWaalsContact O-N 3.17Å; A255-T258 PolarHBondContact O-OG1 2.87Å; E256-T258 VanDerWaalsContact C-N 3.32Å; E256-T258 PolarHBondContact O-N 3.36Å; T258-L261 PolarHBondContact O-N 3.23Å; T258-L262 WeakPolarHBondContact O-CB 3.36Å; T258-L262 PolarHBondContact O-N 3.41Å
259E96.5Very high94.6Very high125 Ų12597.5 Ų97.558%0.58450%0.497SS*.Hα-helixtrans-66.6-43175.2-175.7170.9-155.700110.7A255 E256 L261 L262 I263A255-E259 PolarHBondContact O-N 2.84Å; E256-E259 PolarHBondContact O-N 2.89Å; E259-L261 VanDerWaalsContact C-N 3.32Å; E259-L261 PolarHBondContact O-N 2.91Å; E259-L262 WeakPolarHBondContact O-CB 3.47Å; E259-L262 PolarHBondContact O-N 3.02Å; E259-L262 VanDerWaalsContact O-N 3.14Å; E259-I263 HydrophobicContact CG-CD1 4.24Å; E259-I263 WeakPolarHBondContact O-CG1 3.49Å; E259-I263 PolarHBondContact O-N 2.94Å
260S94.6Very high94.5Very high63 Ų6395.1 Ų95.144%0.44149%0.488SS..Hα-helixtrans-58.5-43.8174.1-61.10000111.8E256 I263 I264E256-S260 WeakPolarHBondContact O-CB 3.32Å; E256-S260 PolarHBondContact O-N 3.49Å; E256-S260 PolarHBondContact O-OG 3.46Å; S260-I263 PolarHBondContact O-N 3.43Å; S260-I264 WeakPolarHBondContact O-CG1 3.33Å; S260-I264 PolarHBondContact O-N 3.25Å; S260-I264 VanDerWaalsContact O-N 3.08Å
261L93.5Very high94.3Very high117 Ų11793.7 Ų93.761%0.61348%0.482SS*.Hα-helixtrans-64.4-39.5175.9-178.562000112.2D257 T258 E259 I264 A265D257-L261 WeakPolarHBondContact O-CB 3.36Å; D257-L261 PolarHBondContact O-N 3.22Å; T258-L261 PolarHBondContact O-N 3.23Å; E259-L261 VanDerWaalsContact C-N 3.32Å; E259-L261 PolarHBondContact O-N 2.91Å; L261-I264 PolarHBondContact O-N 3.41Å; L261-A265 WeakPolarHBondContact O-CB 3.48Å; L261-A265 PolarHBondContact O-N 3.4Å
262L95.1Very high94Very high124 Ų12492.5 Ų92.565%0.64948%0.482SS*.Hα-helixtrans-64.5-42.8177.8-176.665.8000111.5T258 E259 A265 A266T258-L262 WeakPolarHBondContact O-CB 3.36Å; T258-L262 PolarHBondContact O-N 3.41Å; E259-L262 WeakPolarHBondContact O-CB 3.47Å; E259-L262 PolarHBondContact O-N 3.02Å; E259-L262 VanDerWaalsContact O-N 3.14Å; L262-A265 PolarHBondContact O-N 3.01Å; L262-A266 WeakPolarHBondContact O-CB 3.42Å; L262-A266 PolarHBondContact O-N 3.31Å
263I94.7Very high94Very high87 Ų8790 Ų9045%0.44648%0.48SS..Hα-helixtrans-59.2-49.7175.4-68.9166.8000110.1E259 S260 A265 A266 E267E259-I263 HydrophobicContact CG-CD1 4.24Å; E259-I263 WeakPolarHBondContact O-CG1 3.49Å; E259-I263 PolarHBondContact O-N 2.94Å; S260-I263 PolarHBondContact O-N 3.43Å; I263-A265 VanDerWaalsContact C-N 3.32Å; I263-A265 PolarHBondContact O-N 2.96Å; I263-A266 PolarHBondContact O-N 2.97Å; I263-E267 PolarHBondContact O-N 3.31Å
264I91.6Very high93.9Very high89 Ų8990.6 Ų90.646%0.45648%0.479SS..Hα-helixtrans-59.3-44.5177.9-68.5166.7000110.9S260 L261 A266 E267 I268S260-I264 WeakPolarHBondContact O-CG1 3.33Å; S260-I264 PolarHBondContact O-N 3.25Å; S260-I264 VanDerWaalsContact O-N 3.08Å; L261-I264 PolarHBondContact O-N 3.41Å; I264-A266 VanDerWaalsContact C-N 3.34Å; I264-A266 PolarHBondContact O-N 3.14Å; I264-E267 PolarHBondContact O-N 2.98Å; I264-I268 HydrophobicContact CG2-CD1 3.63Å; I264-I268 HydrophobicContact CG2-CG1 4.4Å; I264-I268 WeakPolarHBondContact O-CD1 3.22Å; I264-I268 VanDerWaalsContact O-CG1 3.22Å; I264-I268 WeakPolarHBondContact O-CG1 3.33Å; I264-I268 PolarHBondContact O-N 3.08Å
265A93.1Very high93.6Very high48 Ų4889 Ų8940%0.39749%0.488SS..Hα-helixtrans-62.3-40.6178.300000112.4L261 L262 I263 I268 Y269L261-A265 WeakPolarHBondContact O-CB 3.48Å; L261-A265 PolarHBondContact O-N 3.4Å; L262-A265 PolarHBondContact O-N 3.01Å; I263-A265 VanDerWaalsContact C-N 3.32Å; I263-A265 PolarHBondContact O-N 2.96Å; A265-I268 PolarHBondContact O-N 3.07Å; A265-Y269 WeakPolarHBondContact O-CB 3.44Å; A265-Y269 PolarHBondContact O-N 3.38Å
266A94.5Very high93.2Very high57 Ų5791.3 Ų91.347%0.47149%0.491SS..Hα-helixtrans-64.5-42.7175.900000111.8L262 I263 I264 Y269 D270L262-A266 WeakPolarHBondContact O-CB 3.42Å; L262-A266 PolarHBondContact O-N 3.31Å; I263-A266 PolarHBondContact O-N 2.97Å; I264-A266 VanDerWaalsContact C-N 3.34Å; I264-A266 PolarHBondContact O-N 3.14Å; A266-Y269 PolarHBondContact O-N 3.42Å; A266-D270 WeakPolarHBondContact O-CB 3.42Å; A266-D270 PolarHBondContact O-N 3.31Å
267E92.7Very high92.4Very high95 Ų9594.8 Ų94.844%0.44451%0.51SS..Hα-helixtrans-62-42.7175.1-72.8-174.5-16600112.5I263 I264 D270 R271I263-E267 PolarHBondContact O-N 3.31Å; I264-E267 PolarHBondContact O-N 2.98Å; E267-D270 PolarHBondContact O-N 3.35Å; E267-R271 WeakPolarHBondContact O-CG 3.45Å; E267-R271 PolarHBondContact O-N 3.46Å; E267-R271 IonicContact OE2-NH2 3.07Å; E267-R271 PolarHBondContact OE2-NH2 2.97Å
268I91.7Very high91.5Very high39 Ų3992 Ų9220%0.250%0.497CS..Hα-helixtrans-63-46.7177.1-66.5157000110.1I264 A265 D270 R271 C272 T278 L280I264-I268 HydrophobicContact CG2-CD1 3.63Å; I264-I268 HydrophobicContact CG2-CG1 4.4Å; I264-I268 WeakPolarHBondContact O-CD1 3.22Å; I264-I268 VanDerWaalsContact O-CG1 3.22Å; I264-I268 WeakPolarHBondContact O-CG1 3.33Å; I264-I268 PolarHBondContact O-N 3.08Å; A265-I268 PolarHBondContact O-N 3.07Å; I268-D270 VanDerWaalsContact C-N 3.31Å; I268-D270 PolarHBondContact O-N 3.2Å; I268-R271 PolarHBondContact O-N 2.91Å; I268-C272 WeakPolarHBondContact O-CB 3.43Å; I268-C272 PolarHBondContact O-N 2.96Å; I268-C272 PolarHBondContact O-SG 3.36Å; I268-T278 HydrophobicContact CG1-CG2 4.27Å; I268-L280 HydrophobicContact CD1-CD1 4.27Å; I268-L280 HydrophobicContact CD1-CD2 3.34Å; I268-L280 HydrophobicContact CD1-CG 4.43Å; I268-L280 HydrophobicContact CG1-CD2 3.85Å
269Y92.6Very high90.7Very high178 Ų17893.1 Ų93.170%0.69850%0.504SS*.Hα-helixtrans-57.7-46178174.8-95.6000111.6A265 A266 C272 S273A265-Y269 WeakPolarHBondContact O-CB 3.44Å; A265-Y269 PolarHBondContact O-N 3.38Å; A266-Y269 PolarHBondContact O-N 3.42Å; Y269-C272 PolarHBondContact O-N 2.88Å; Y269-S273 WeakPolarHBondContact O-CB 3.37Å; Y269-S273 PolarHBondContact O-N 3.4Å
270D93.7Very high89.6Confident70 Ų7092.7 Ų92.737%0.37451%0.505SS..Hα-helixtrans-64-42.7-179.8-170.240.7000112A266 E267 I268 S273 R274A266-D270 WeakPolarHBondContact O-CB 3.42Å; A266-D270 PolarHBondContact O-N 3.31Å; E267-D270 PolarHBondContact O-N 3.35Å; I268-D270 VanDerWaalsContact C-N 3.31Å; I268-D270 PolarHBondContact O-N 3.2Å; D270-S273 PolarHBondContact O-N 3.02Å; D270-S273 PolarHBondContact O-OG 2.6Å; D270-R274 VanDerWaalsContact CG-CZ 3.5Å; D270-R274 VanDerWaalsContact CG-NH2 3.26Å; D270-R274 PolarHBondContact O-N 2.91Å; D270-R274 IonicContact OD1-CZ 3.55Å; D270-R274 IonicContact OD1-NH1 2.77Å; D270-R274 PolarHBondContact OD1-NH1 3.42Å; D270-R274 IonicContact OD1-NH2 3.75Å; D270-R274 IonicContact OD2-CZ 3.15Å; D270-R274 IonicContact OD2-NH1 2.91Å; D270-R274 PolarHBondContact OD2-NH1 2.9Å; D270-R274 IonicContact OD2-NH2 2.6Å; D270-R274 PolarHBondContact OD2-NH2 2.68Å
271R91.3Very high88.5Confident97 Ų9795.1 Ų95.137%0.36652%0.517SS..Hα-helixtrans-63.1-46.4172.7-69.5-179.9-154.5171.69112.4E267 I268 S273 R274 G275 E276E267-R271 WeakPolarHBondContact O-CG 3.45Å; E267-R271 PolarHBondContact O-N 3.46Å; E267-R271 IonicContact OE2-NH2 3.07Å; E267-R271 PolarHBondContact OE2-NH2 2.97Å; I268-R271 PolarHBondContact O-N 2.91Å; R271-S273 VanDerWaalsContact C-N 3.27Å; R271-S273 PolarHBondContact O-N 3.07Å; R271-R274 PolarHBondContact O-N 2.77Å; R271-R274 VanDerWaalsContact O-N 3.08Å; R271-G275 PolarHBondContact O-N 3.27Å; R271-E276 HydrophobicContact CB-CB 4.18Å; R271-E276 WeakPolarHBondContact O-CB 3.37Å; R271-E276 PolarHBondContact O-N 3.03Å; R271-E276 VanDerWaalsContact O-N 3.08Å
272C91.3Very high86.9Confident69 Ų6995.3 Ų95.347%0.46653%0.525SS..Hα-helixtrans-61.9-35.7177.3-71.10000112.2I268 Y269 R274 G275I268-C272 WeakPolarHBondContact O-CB 3.43Å; I268-C272 PolarHBondContact O-N 2.96Å; I268-C272 PolarHBondContact O-SG 3.36Å; Y269-C272 PolarHBondContact O-N 2.88Å; C272-R274 PolarHBondContact O-N 3.42Å; C272-G275 PolarHBondContact O-N 2.97Å
273S93.4Very high85.2Confident76 Ų7694.9 Ų94.953%0.53153%0.527SS..Hα-helixtrans-64.6-25.5176.380.30000113.3Y269 D270 R271 G275Y269-S273 WeakPolarHBondContact O-CB 3.37Å; Y269-S273 PolarHBondContact O-N 3.4Å; D270-S273 PolarHBondContact O-N 3.02Å; D270-S273 PolarHBondContact O-OG 2.6Å; R271-S273 VanDerWaalsContact C-N 3.27Å; R271-S273 PolarHBondContact O-N 3.07Å; S273-G275 VanDerWaalsContact C-N 3.32Å
274R93.8Very high83.1Confident143 Ų14394.9 Ų94.954%0.5454%0.54SS..THydrogen-bonded Turntrans-86.2-0.2173.8-69.4-170.1-84.2-88.76.1113.9D270 R271 C272 E276D270-R274 VanDerWaalsContact CG-CZ 3.5Å; D270-R274 VanDerWaalsContact CG-NH2 3.26Å; D270-R274 PolarHBondContact O-N 2.91Å; D270-R274 IonicContact OD1-CZ 3.55Å; D270-R274 IonicContact OD1-NH1 2.77Å; D270-R274 PolarHBondContact OD1-NH1 3.42Å; D270-R274 IonicContact OD1-NH2 3.75Å; D270-R274 IonicContact OD2-CZ 3.15Å; D270-R274 IonicContact OD2-NH1 2.91Å; D270-R274 PolarHBondContact OD2-NH1 2.9Å; D270-R274 IonicContact OD2-NH2 2.6Å; D270-R274 PolarHBondContact OD2-NH2 2.68Å; R271-R274 PolarHBondContact O-N 2.77Å; R271-R274 VanDerWaalsContact O-N 3.08Å; C272-R274 PolarHBondContact O-N 3.42Å; R274-E276 VanDerWaalsContact C-N 3.34Å; R274-E276 HydrophobicContact CB-CG 4.47Å; R274-E276 IonicContact NE-OE1 3.9Å
275G90Very high80.9Confident65 Ų6599.9 Ų99.967%0.6756%0.561SS**THydrogen-bonded Turntrans81.312.2-176.500000113.9R271 C272 S273R271-G275 PolarHBondContact O-N 3.27Å; C272-G275 PolarHBondContact O-N 2.97Å; S273-G275 VanDerWaalsContact C-N 3.32Å
276E86.9Confident78.5Confident96 Ų96108.3 Ų108.345%0.44958%0.583SS.*  trans-80.2126.4175.4-63.5172.2-15600110.4R271 R274 T278R271-E276 HydrophobicContact CB-CB 4.18Å; R271-E276 WeakPolarHBondContact O-CB 3.37Å; R271-E276 PolarHBondContact O-N 3.03Å; R271-E276 VanDerWaalsContact O-N 3.08Å; R274-E276 VanDerWaalsContact C-N 3.34Å; R274-E276 HydrophobicContact CB-CG 4.47Å; R274-E276 IonicContact NE-OE1 3.9Å; E276-T278 PolarHBondContact O-N 3.31Å
277I78.6Confident75.7Confident164 Ų164114.8 Ų114.884%0.84160%0.604SS**  trans-78.1109175.5-60.4170.3000108.2
278T76.2Confident73.2Confident37 Ų37121.3 Ų121.323%0.22764%0.639CS.*  trans-99.1113.4176.4-60.80000110.3I268 E276 L280I268-T278 HydrophobicContact CG1-CG2 4.27Å; E276-T278 PolarHBondContact O-N 3.31Å; T278-L280 HydrophobicContact CG2-CD2 4.2Å
279T78.6Confident72.3Confident116 Ų116125.4 Ų125.471%0.71266%0.661SS**  trans-82.8116.1174-53.20000110V281T279-V281 PolarHBondContact O-N 3.34Å
280L74.1Confident71.2Confident117 Ų117122.6 Ų122.661%0.61366%0.659SS**  trans-82.4109.4172.9-57.4-178.5000109.5I268 T278 P282I268-L280 HydrophobicContact CD1-CD1 4.27Å; I268-L280 HydrophobicContact CD1-CD2 3.34Å; I268-L280 HydrophobicContact CD1-CG 4.43Å; I268-L280 HydrophobicContact CG1-CD2 3.85Å; T278-L280 HydrophobicContact CG2-CD2 4.2Å; L280-P282 WeakPolarHBondContact O-CD 3.4Å
281V71.5Confident70Confident114 Ų114125.6 Ų125.669%0.69168%0.675SS**  trans-87116.8169.3-175.90000107.4T279 V283T279-V281 PolarHBondContact O-N 3.34Å; V281-V283 PolarHBondContact O-N 3.44Å
282P59.3Low68.7Low121 Ų121127.2 Ų127.279%0.78669%0.693SS**  trans-67.5104.3174.624.3-26.5000108.2L280 A284L280-P282 WeakPolarHBondContact O-CD 3.4Å; P282-A284 PolarHBondContact O-N 3.08Å
283V59.1Low67.3Low114 Ų114130.9 Ų130.969%0.69171%0.707SS**  trans-69.599.91671740000106.2V281 Q285V281-V283 PolarHBondContact O-N 3.44Å; V283-Q285 PolarHBondContact O-N 3.35Å
284A50.9Low65.6Low87 Ų87134.5 Ų134.572%0.71972%0.719SS**  trans-52.2125.5165.500000107.7P282 R286P282-A284 PolarHBondContact O-N 3.08Å; A284-R286 PolarHBondContact O-N 3.36Å; A284-R286 VanDerWaalsContact O-N 3.07Å
285Q46.7Very low63.5Low194 Ų194133.9 Ų133.991%0.90773%0.732SS**  trans-44.5115.5-173.8-61.8-171.6-74.500110.8V283 E287V283-Q285 PolarHBondContact O-N 3.35Å; Q285-E287 PolarHBondContact O-N 3.35Å
286R41.4Very low61.5Low226 Ų226139.2 Ų139.285%0.85374%0.736SS**  trans-65.7116.1167.4-101.4-179.1176.7121.2-1107.4A284 I288A284-R286 PolarHBondContact O-N 3.36Å; A284-R286 VanDerWaalsContact O-N 3.07Å; R286-I288 PolarHBondContact O-N 3.08Å
287E36Very low59.4Low193 Ų193142.8 Ų142.890%0.90276%0.76SS**  trans-53.7114.5164.2-75.1-175.3108.800110Q285Q285-E287 PolarHBondContact O-N 3.35Å
288I40.2Very low57.6Low231 Ų231140.9 Ų140.9100%1.18575%0.753SS**  trans-146.50148-50.6-179.6000107.6R286R286-I288 PolarHBondContact O-N 3.08Å

Retrieved 288 of 288 residues in 71.4 ms (Link to these results)

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