A0A2K5P3H7_CERAT Loading...

EH domain containing 3

AlphaFold DB , UniProt , Accession A0A2K5P3H7, Species CERAT (Cercocebus atys, Sooty mangabey), Gene EHD3, Length 535 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
1M35.7Very low34.5Very low241 Ų241161.5 Ų161.5100%1.18780%0.8SS**  0108.50-146.9-179.6-72.400106.3
2F33.7Very low35Very low201 Ų201167.8 Ų167.888%0.88281%0.809SS**  trans-65.4139.9176.7-94.8-98000109.8
3S28.3Very low35.7Very low107 Ų107168.1 Ų168.175%0.74880%0.804SS**  trans-145.896.5156.61770000108.8
4W36.2Very low35.7Very low225 Ų225166.1 Ų166.185%0.85280%0.8SS**  trans-62.8134.5158.1-112.457000109.4
5L33.2Very low36.6Very low155 Ų155161.2 Ų161.281%0.81279%0.787SS**  trans-163.798.2147.2-104.3144.7000108
6G38.8Very low37.9Very low67 Ų67156.3 Ų156.369%0.69176%0.762SS**  trans-74.1135.9163.900000109.8
7T30.4Very low38.8Very low123 Ų123155.4 Ų155.476%0.75577%0.767SS**  trans-135.594159.139.60000106.9D9T7-D9 PolarHBondContact O-N 2.83Å; T7-D9 VanDerWaalsContact O-N 3.09Å
8D33.8Very low40.3Very low136 Ų136147.9 Ų147.973%0.72773%0.73SS**  trans17.179.6142.2-126.4-6.5000115.8R10D8-R10 PolarHBondContact O-N 2.98Å; D8-R10 IonicContact OD1-NE 3.94Å
9D33.1Very low41.7Very low118 Ų118149.1 Ų149.163%0.63173%0.733SS**  trans-80.352.2172.6-146.210.7000109.6T7 R11T7-D9 PolarHBondContact O-N 2.83Å; T7-D9 VanDerWaalsContact O-N 3.09Å; D9-R11 PolarHBondContact O-N 3.09Å; D9-R11 VanDerWaalsContact OD1-CG 3.27Å; D9-R11 WeakPolarHBondContact OD1-CG 3.27Å; D9-R11 IonicContact OD1-CZ 3.54Å; D9-R11 IonicContact OD1-NE 3Å; D9-R11 PolarHBondContact OD1-NE 2.93Å; D9-R11 IonicContact OD1-NH2 3.61Å; D9-R11 IonicContact OD2-CZ 3.9Å; D9-R11 IonicContact OD2-NE 2.98Å; D9-R11 PolarHBondContact OD2-NE 3.26Å; D9-R11 IonicContact OD2-NH2 3.51Å
10R37.8Very low43.6Very low213 Ų213144.1 Ų144.180%0.80471%0.711SS**  trans-70.169161.3-74.3-174.3-172.3-171.7-0.2107.9D8 R12D8-R10 PolarHBondContact O-N 2.98Å; D8-R10 IonicContact OD1-NE 3.94Å; R10-R12 PolarHBondContact O-N 3.17Å
11R39.2Very low45.4Very low190 Ų190137.3 Ų137.372%0.71768%0.678SS**  trans-62104.4164.4-70.9-179.2-170.8-167.9-0.6107D9 K13D9-R11 PolarHBondContact O-N 3.09Å; D9-R11 VanDerWaalsContact OD1-CG 3.27Å; D9-R11 WeakPolarHBondContact OD1-CG 3.27Å; D9-R11 IonicContact OD1-CZ 3.54Å; D9-R11 IonicContact OD1-NE 3Å; D9-R11 PolarHBondContact OD1-NE 2.93Å; D9-R11 IonicContact OD1-NH2 3.61Å; D9-R11 IonicContact OD2-CZ 3.9Å; D9-R11 IonicContact OD2-NE 2.98Å; D9-R11 PolarHBondContact OD2-NE 3.26Å; D9-R11 IonicContact OD2-NH2 3.51Å; R11-K13 PolarHBondContact O-N 3Å
12R40.1Very low47.7Very low238 Ų238127.2 Ų127.290%0.89863%0.631SS**  trans-45.9102.5145.9-78.8175.7168.8167.8-4105.4R10 D14R10-R12 PolarHBondContact O-N 3.17Å; R12-D14 PolarHBondContact O-N 2.96Å
13K43.5Very low50.3Low171 Ų171122 Ų12274%0.74361%0.609SS**PPolyproline II helixtrans-59.8118.9165.8-80.3-178173.7-1770104.9R11R11-K13 PolarHBondContact O-N 3Å
14D36.7Very low53.3Low140 Ų140116.9 Ų116.975%0.74957%0.574SS**PPolyproline II helixtrans-46.7139163.7-77.1-50.4000108.1R12 E16R12-D14 PolarHBondContact O-N 2.96Å; D14-E16 PolarHBondContact O-N 2.89Å
15P48.8Very low56Low93 Ų93106.2 Ų106.260%0.60453%0.533SS*.PPolyproline II helixtrans-54.1118.3176.821.9-31.3000108V17P15-V17 PolarHBondContact O-N 2.79Å
16E56.5Low58.8Low83 Ų83100.5 Ų100.539%0.38850%0.502SS..  trans-62112179.6-70.2-169.3146.600108D14 F18 K27D14-E16 PolarHBondContact O-N 2.89Å; E16-F18 HydrophobicContact CB-CE2 4.49Å; E16-F18 HydrophobicContact CB-CZ 4.26Å; E16-F18 WeakPolarHBondContact O-CD2 3.47Å; E16-F18 WeakPolarHBondContact O-CE2 3.42Å; E16-F18 PolarHBondContact O-N 2.67Å; E16-K27 IonicContact OE1-NZ 2.86Å; E16-K27 PolarHBondContact OE1-NZ 3Å; E16-K27 WeakPolarHBondContact OE2-CE 3.36Å; E16-K27 IonicContact OE2-NZ 3.14Å; E16-K27 PolarHBondContact OE2-NZ 3.27Å
17V54.4Low61.5Low140 Ų140101.4 Ų101.485%0.84849%0.487SS*.  trans-77.6110.6-179.6-175.60000108.1P15P15-V17 PolarHBondContact O-N 2.79Å
18F64.8Low64.5Low22 Ų2295.7 Ų95.710%0.09645%0.451CS..  trans-85.4140.6173.6-57.7-75.9000110.5E16 K27 L393 L396E16-F18 HydrophobicContact CB-CE2 4.49Å; E16-F18 HydrophobicContact CB-CZ 4.26Å; E16-F18 WeakPolarHBondContact O-CD2 3.47Å; E16-F18 WeakPolarHBondContact O-CE2 3.42Å; E16-F18 PolarHBondContact O-N 2.67Å; F18-K27 HydrophobicContact CE1-CB 4.46Å; F18-K27 HydrophobicContact CE1-CD 3.97Å; F18-L393 HydrophobicContact CD2-CD2 4.47Å; F18-L396 HydrophobicContact CB-CD1 4.01Å; F18-L396 HydrophobicContact CD2-CD1 3.72Å; F18-L396 HydrophobicContact CG-CD1 4.32Å
19Q67.3Low67.6Low170 Ų17089.2 Ų89.279%0.79442%0.417SS*.SBendtrans-80.1-32.7175.2-63.3-171.7-5.900112.2E23Q19-E23 WeakPolarHBondContact CB-OE2 3.48Å
20T78.8Confident70.6Confident49 Ų4988.1 Ų88.130%0.30141%0.406SS..SBendtrans-141.815917566.60000112.2S22 E23 G24 E400T20-S22 VanDerWaalsContact C-N 3.32Å; T20-S22 PolarHBondContact O-N 2.56Å; T20-E23 PolarHBondContact O-N 3.01Å; T20-E23 WeakPolarHBondContact OG1-CB 3.48Å; T20-E23 PolarHBondContact OG1-N 2.65Å; T20-G24 PolarHBondContact O-N 3.03Å; T20-G24 VanDerWaalsContact O-N 3.16Å; T20-E400 WeakPolarHBondContact CA-OE1 3.4Å; T20-E400 WeakPolarHBondContact CB-OE1 3.49Å
21V82.2Confident73.4Confident1 Ų181 Ų811%0.00639%0.39CS..Hα-helixtrans-61.7-39.51751760000111.9E23 G24 L25 A290 L393 L396 V397 E400V21-E23 VanDerWaalsContact C-N 3.35Å; V21-E23 PolarHBondContact O-N 3.2Å; V21-G24 PolarHBondContact O-N 3.09Å; V21-L25 HydrophobicContact CG1-CD1 3.92Å; V21-L25 HydrophobicContact CG1-CG 4.16Å; V21-L25 WeakPolarHBondContact O-CG 3.24Å; V21-L25 PolarHBondContact O-N 3.35Å; V21-A290 HydrophobicContact CB-CB 4.21Å; V21-A290 HydrophobicContact CG1-CB 3.93Å; V21-L393 HydrophobicContact CG1-CD2 4.42Å; V21-L396 HydrophobicContact CG2-CB 4.21Å; V21-V397 HydrophobicContact CB-CG2 4.35Å; V21-V397 HydrophobicContact CG1-CG2 3.73Å; V21-V397 HydrophobicContact CG2-CB 4.39Å; V21-V397 HydrophobicContact CG2-CG2 3.67Å; V21-E400 HydrophobicContact CG2-CG 4.28Å; V21-E400 VanDerWaalsContact CG2-OE2 3.27Å; V21-E400 WeakPolarHBondContact CG2-OE2 3.47Å; V21-E400 PolarHBondContact N-OE1 3.36Å
22S85Confident76.2Confident29 Ų2973.4 Ų73.420%0.20336%0.362CS..Hα-helixtrans-59.7-44.6178.7-1760000111.8T20 G24 L25 K26 F55 D56T20-S22 VanDerWaalsContact C-N 3.32Å; T20-S22 PolarHBondContact O-N 2.56Å; S22-G24 VanDerWaalsContact C-N 3.35Å; S22-G24 PolarHBondContact O-N 3.41Å; S22-L25 PolarHBondContact O-N 3.48Å; S22-K26 WeakPolarHBondContact O-CB 3.28Å; S22-K26 PolarHBondContact O-N 2.94Å; S22-F55 PolarHBondContact OG-O 2.91Å; S22-F55 VanDerWaalsContact OG-O 3.09Å; S22-D56 PolarHBondContact OG-OD1 2.89Å
23E88.4Confident78.9Confident91 Ų9162.1 Ų62.143%0.42532%0.319SS..Hα-helixtrans-63-42.5177.3-172.4-177.3-169.500111.6Q19 T20 V21 K26 K27Q19-E23 WeakPolarHBondContact CB-OE2 3.48Å; T20-E23 PolarHBondContact O-N 3.01Å; T20-E23 WeakPolarHBondContact OG1-CB 3.48Å; T20-E23 PolarHBondContact OG1-N 2.65Å; V21-E23 VanDerWaalsContact C-N 3.35Å; V21-E23 PolarHBondContact O-N 3.2Å; E23-K26 PolarHBondContact O-N 2.96Å; E23-K27 WeakPolarHBondContact O-CB 3.33Å; E23-K27 PolarHBondContact O-N 3.28Å
24G90.5Very high81.5Confident0 Ų055.4 Ų55.40%029%0.291CS..Hα-helixtrans-62.6-45.6176.400000113T20 V21 S22 K26 K27 L28T20-G24 PolarHBondContact O-N 3.03Å; T20-G24 VanDerWaalsContact O-N 3.16Å; V21-G24 PolarHBondContact O-N 3.09Å; S22-G24 VanDerWaalsContact C-N 3.35Å; S22-G24 PolarHBondContact O-N 3.41Å; G24-K26 PolarHBondContact O-N 2.94Å; G24-K27 PolarHBondContact O-N 3.44Å; G24-L28 WeakPolarHBondContact O-CG 3.44Å; G24-L28 PolarHBondContact O-N 3.03Å
25L92.1Very high84.4Confident1 Ų150.9 Ų50.91%0.00527%0.269CS..Hα-helixtrans-58.9-47.7174.9-72.3172.4000112V21 S22 K27 L28 Y29 F55 K293 L294 L297 L393V21-L25 HydrophobicContact CG1-CD1 3.92Å; V21-L25 HydrophobicContact CG1-CG 4.16Å; V21-L25 WeakPolarHBondContact O-CG 3.24Å; V21-L25 PolarHBondContact O-N 3.35Å; S22-L25 PolarHBondContact O-N 3.48Å; L25-K27 VanDerWaalsContact C-N 3.34Å; L25-K27 PolarHBondContact O-N 2.89Å; L25-L28 PolarHBondContact O-N 2.81Å; L25-Y29 WeakPolarHBondContact O-CB 3.43Å; L25-Y29 PolarHBondContact O-N 2.96Å; L25-F55 HydrophobicContact CB-CD1 3.87Å; L25-F55 HydrophobicContact CB-CE1 4.02Å; L25-K293 HydrophobicContact CD1-CB 3.74Å; L25-L294 HydrophobicContact CD2-CB 4.07Å; L25-L294 HydrophobicContact CD2-CD1 3.48Å; L25-L294 VanDerWaalsContact CD2-CD1 3.48Å; L25-L294 HydrophobicContact CD2-CG 4.37Å; L25-L297 HydrophobicContact CD2-CD2 3.67Å; L25-L393 HydrophobicContact CD2-CD1 4.11Å
26K93.4Very high86.8Confident35 Ų3546.5 Ų46.515%0.15224%0.241CC..Hα-helixtrans-59.1-44.3178.4-179.6-178.6-70.1173.50111.5S22 E23 G24 K30 D52 F55 D56S22-K26 WeakPolarHBondContact O-CB 3.28Å; S22-K26 PolarHBondContact O-N 2.94Å; E23-K26 PolarHBondContact O-N 2.96Å; G24-K26 PolarHBondContact O-N 2.94Å; K26-K30 HydrophobicContact CG-CD 4.41Å; K26-K30 WeakPolarHBondContact O-CG 3.42Å; K26-K30 PolarHBondContact O-N 2.64Å; K26-D52 HydrophobicContact CD-CB 4.41Å; K26-D52 WeakPolarHBondContact CD-OD1 3.35Å; K26-D52 VanDerWaalsContact CE-OD1 3.29Å; K26-D52 WeakPolarHBondContact CE-OD1 3.37Å; K26-D52 WeakPolarHBondContact CG-OD1 3.18Å; K26-F55 HydrophobicContact CB-CB 4.46Å; K26-F55 HydrophobicContact CB-CD1 4.41Å; K26-F55 HydrophobicContact CB-CD2 4.17Å; K26-F55 HydrophobicContact CB-CG 4.09Å; K26-F55 HydrophobicContact CG-CD2 4.27Å; K26-D56 IonicContact NZ-OD1 2.79Å; K26-D56 PolarHBondContact NZ-OD1 3.44Å; K26-D56 IonicContact NZ-OD2 2.72Å; K26-D56 PolarHBondContact NZ-OD2 3.4Å
27K94Very high88.8Confident87 Ų8742.6 Ų42.638%0.37822%0.223SC..Hα-helixtrans-66.4-46.2178.4-169.7-177.5-178.1-169.80111.6E16 F18 E23 G24 L25 Y29 K30 S31E16-K27 IonicContact OE1-NZ 2.86Å; E16-K27 PolarHBondContact OE1-NZ 3Å; E16-K27 WeakPolarHBondContact OE2-CE 3.36Å; E16-K27 IonicContact OE2-NZ 3.14Å; E16-K27 PolarHBondContact OE2-NZ 3.27Å; F18-K27 HydrophobicContact CE1-CB 4.46Å; F18-K27 HydrophobicContact CE1-CD 3.97Å; E23-K27 WeakPolarHBondContact O-CB 3.33Å; E23-K27 PolarHBondContact O-N 3.28Å; G24-K27 PolarHBondContact O-N 3.44Å; L25-K27 VanDerWaalsContact C-N 3.34Å; L25-K27 PolarHBondContact O-N 2.89Å; K27-Y29 VanDerWaalsContact C-N 3.34Å; K27-Y29 PolarHBondContact O-N 3.37Å; K27-K30 PolarHBondContact O-N 2.97Å; K27-S31 VanDerWaalsContact O-CB 3.28Å; K27-S31 WeakPolarHBondContact O-CB 3.48Å; K27-S31 PolarHBondContact O-N 3.1Å; K27-S31 PolarHBondContact O-OG 3.19Å
28L95Very high90.8Very high2 Ų241.7 Ų41.71%0.0121%0.209CC..Hα-helixtrans-60.4-44.8176.8-72.3-171.2000111.5G24 L25 K32 L33 M385 D389 I390 L393G24-L28 WeakPolarHBondContact O-CG 3.44Å; G24-L28 PolarHBondContact O-N 3.03Å; L25-L28 PolarHBondContact O-N 2.81Å; L28-K32 HydrophobicContact CD2-CD 4.14Å; L28-K32 WeakPolarHBondContact O-CA 3.01Å; L28-K32 WeakPolarHBondContact O-CB 3.24Å; L28-K32 PolarHBondContact O-N 3.11Å; L28-L33 PolarHBondContact O-N 3.05Å; L28-M385 HydrophobicContact CB-CG 4.42Å; L28-M385 HydrophobicContact CB-SD 4.08Å; L28-M385 HydrophobicContact CD1-CG 4.11Å; L28-M385 HydrophobicContact CD2-CG 4.39Å; L28-D389 HydrophobicContact CD1-CB 3.75Å; L28-D389 HydrophobicContact CD2-CB 3.78Å; L28-D389 HydrophobicContact CG-CB 4.44Å; L28-I390 HydrophobicContact CD1-CD1 4.48Å; L28-L393 HydrophobicContact CD1-CD1 3.29Å; L28-L393 HydrophobicContact CD1-CG 4.42Å; L28-L393 HydrophobicContact CG-CD1 4.25Å
29Y96.8Very high92.4Very high0 Ų043.1 Ų43.10%022%0.216CC..Iπ-helixtrans-56.3-58.1175.7176.4-109.8000111.6L25 K27 S31 L33 L34 E37 A49 L50 F55 L297L25-Y29 WeakPolarHBondContact O-CB 3.43Å; L25-Y29 PolarHBondContact O-N 2.96Å; K27-Y29 VanDerWaalsContact C-N 3.34Å; K27-Y29 PolarHBondContact O-N 3.37Å; Y29-S31 VanDerWaalsContact C-N 3.35Å; Y29-S31 PolarHBondContact O-N 2.89Å; Y29-L33 HydrophobicContact CD2-CB 4.05Å; Y29-L33 HydrophobicContact CD2-CD2 3.96Å; Y29-L33 HydrophobicContact CD2-CG 4.21Å; Y29-L33 HydrophobicContact CE2-CB 4.49Å; Y29-L33 HydrophobicContact CE2-CD2 4.18Å; Y29-L33 HydrophobicContact CE2-CG 4.28Å; Y29-L33 PolarHBondContact O-N 3.26Å; Y29-L33 VanDerWaalsContact O-N 3.1Å; Y29-L34 HydrophobicContact CE1-CB 4.2Å; Y29-L34 HydrophobicContact CE1-CD1 4.3Å; Y29-L34 HydrophobicContact CE2-CB 4.5Å; Y29-L34 WeakPolarHBondContact O-CB 3.29Å; Y29-L34 PolarHBondContact O-N 2.71Å; Y29-E37 WeakPolarHBondContact CE2-OE2 3.26Å; Y29-E37 PolarHBondContact OH-OE2 3.3Å; Y29-A49 WeakPolarHBondContact OH-CA 3.46Å; Y29-L50 HydrophobicContact CD1-CB 4.04Å; Y29-L50 HydrophobicContact CD2-CD1 4.04Å; Y29-L50 HydrophobicContact CE1-CB 3.57Å; Y29-L50 HydrophobicContact CE1-CG 4.24Å; Y29-L50 WeakPolarHBondContact CE1-O 3.18Å; Y29-L50 HydrophobicContact CE2-CB 4.35Å; Y29-L50 HydrophobicContact CE2-CD1 3.98Å; Y29-L50 HydrophobicContact CE2-CG 4.13Å; Y29-L50 HydrophobicContact CG-CD1 4.36Å; Y29-L50 PolarHBondContact OH-N 3.05Å; Y29-F55 HydrophobicContact CD1-CE2 4.04Å; Y29-F55 AromaticContact CD1-CZ 3.9Å; Y29-F55 HydrophobicContact CD1-CZ 3.9Å; Y29-F55 HydrophobicContact CG-CE2 4.38Å; Y29-F55 AromaticContact CG-CZ 3.78Å; Y29-F55 HydrophobicContact CG-CZ 3.78Å; Y29-L297 HydrophobicContact CD2-CD1 3.89Å; Y29-L297 HydrophobicContact CG-CD1 4.43Å
30K96.8Very high93.8Very high95 Ų9535.1 Ų35.141%0.41318%0.179SC..Iπ-helixtrans-64.6-36.4-174.8-70.6-177.5-178.6-179.10113.3K26 K27 D52K26-K30 HydrophobicContact CG-CD 4.41Å; K26-K30 WeakPolarHBondContact O-CG 3.42Å; K26-K30 PolarHBondContact O-N 2.64Å; K27-K30 PolarHBondContact O-N 2.97Å; K30-D52 WeakPolarHBondContact CE-OD1 3.5Å; K30-D52 IonicContact NZ-OD1 3.64Å; K30-D52 PolarHBondContact NZ-OD1 3.27Å; K30-D52 IonicContact NZ-OD2 2.66Å; K30-D52 PolarHBondContact NZ-OD2 3.47Å
31S96.5Very high94.7Very high64 Ų6436.3 Ų36.345%0.44818%0.178SC..Iπ-helixtrans-92-30.6-172.865.20000114.4K27 Y29K27-S31 VanDerWaalsContact O-CB 3.28Å; K27-S31 WeakPolarHBondContact O-CB 3.48Å; K27-S31 PolarHBondContact O-N 3.1Å; K27-S31 PolarHBondContact O-OG 3.19Å; Y29-S31 VanDerWaalsContact C-N 3.35Å; Y29-S31 PolarHBondContact O-N 2.89Å
32K97.3Very high95.3Very high31 Ų3136.3 Ų36.314%0.13518%0.177CC..Iπ-helixtrans-112.9-42.5-173.6-59.9-159.1179.9-1680113.2L28 V381 V382 D384 M385 D389L28-K32 HydrophobicContact CD2-CD 4.14Å; L28-K32 WeakPolarHBondContact O-CA 3.01Å; L28-K32 WeakPolarHBondContact O-CB 3.24Å; L28-K32 PolarHBondContact O-N 3.11Å; K32-V381 HydrophobicContact CB-CG1 3.68Å; K32-V381 HydrophobicContact CD-CG1 4.08Å; K32-V381 HydrophobicContact CG-CG1 3.77Å; K32-V382 WeakPolarHBondContact O-CG2 3.37Å; K32-D384 IonicContact NZ-OD2 3.26Å; K32-D384 PolarHBondContact NZ-OD2 3.4Å; K32-M385 HydrophobicContact CB-CB 4.3Å; K32-M385 HydrophobicContact CB-CG 4.34Å; K32-M385 HydrophobicContact CB-SD 3.85Å; K32-M385 HydrophobicContact CD-CB 3.75Å; K32-M385 HydrophobicContact CD-CG 4.05Å; K32-D389 IonicContact NZ-OD1 3.98Å; K32-D389 PolarHBondContact NZ-OD1 3.23Å; K32-D389 IonicContact NZ-OD2 3.65Å; K32-D389 PolarHBondContact NZ-OD2 3.35Å
33L98.1Very high95.7Very high0 Ų037.6 Ų37.60%018%0.18CC..Iπ-helixtrans-92-48.3-174.4-175.755.9000113.9L28 Y29 P35 L36 E37 L297 R300 A301 A304 V382 M385L28-L33 PolarHBondContact O-N 3.05Å; Y29-L33 HydrophobicContact CD2-CB 4.05Å; Y29-L33 HydrophobicContact CD2-CD2 3.96Å; Y29-L33 HydrophobicContact CD2-CG 4.21Å; Y29-L33 HydrophobicContact CE2-CB 4.49Å; Y29-L33 HydrophobicContact CE2-CD2 4.18Å; Y29-L33 HydrophobicContact CE2-CG 4.28Å; Y29-L33 PolarHBondContact O-N 3.26Å; Y29-L33 VanDerWaalsContact O-N 3.1Å; L33-P35 VanDerWaalsContact C-CD 3.44Å; L33-P35 VanDerWaalsContact C-N 3.33Å; L33-L36 WeakPolarHBondContact O-CB 3.35Å; L33-L36 PolarHBondContact O-N 3.27Å; L33-E37 HydrophobicContact CD1-CG 4.34Å; L33-E37 WeakPolarHBondContact CD2-OE1 3.45Å; L33-E37 HydrophobicContact CG-CG 4.22Å; L33-E37 WeakPolarHBondContact CG-OE1 3.5Å; L33-E37 PolarHBondContact O-N 2.87Å; L33-E37 VanDerWaalsContact O-N 3.1Å; L33-L297 HydrophobicContact CD2-CD1 3.81Å; L33-R300 HydrophobicContact CD2-CG 4.23Å; L33-A301 HydrophobicContact CD1-CB 4.07Å; L33-A301 HydrophobicContact CD2-CB 3.95Å; L33-A304 HydrophobicContact CD1-CB 3.84Å; L33-V382 HydrophobicContact CD1-CG1 4.28Å; L33-V382 HydrophobicContact CD1-CG2 4.17Å; L33-M385 HydrophobicContact CB-CE 4.47Å; L33-M385 HydrophobicContact CB-SD 4.45Å
34L98.1Very high95.8Very high30 Ų3037.5 Ų37.516%0.15718%0.18CC..Hα-helixtrans-53.3-41.2-177.9178.865000113.3Y29 L36 E37 E38 A49Y29-L34 HydrophobicContact CE1-CB 4.2Å; Y29-L34 HydrophobicContact CE1-CD1 4.3Å; Y29-L34 HydrophobicContact CE2-CB 4.5Å; Y29-L34 WeakPolarHBondContact O-CB 3.29Å; Y29-L34 PolarHBondContact O-N 2.71Å; L34-L36 VanDerWaalsContact C-N 3.26Å; L34-L36 PolarHBondContact O-N 3.01Å; L34-E37 WeakPolarHBondContact O-CB 3.3Å; L34-E37 PolarHBondContact O-N 2.9Å; L34-E37 VanDerWaalsContact O-N 3.11Å; L34-E38 HydrophobicContact CD1-CG 3.87Å; L34-E38 HydrophobicContact CG-CG 4.19Å; L34-E38 WeakPolarHBondContact O-CG 3.14Å; L34-E38 PolarHBondContact O-N 3.38Å; L34-A49 HydrophobicContact CD1-CB 4.06Å
35P98.4Very high95.9Very high45 Ų4537.7 Ų37.729%0.29218%0.181SC..Hα-helixtrans-61.2-32176.4-25.136.1000114L33 H39 L378L33-P35 VanDerWaalsContact C-CD 3.44Å; L33-P35 VanDerWaalsContact C-N 3.33Å; P35-H39 VanDerWaalsContact O-CB 3.24Å; P35-H39 WeakPolarHBondContact O-CB 3.11Å; P35-H39 PolarHBondContact O-N 2.86Å; P35-L378 HydrophobicContact CB-CD2 4.18Å
36L98.4Very high95.7Very high1 Ų139.2 Ų39.21%0.00519%0.188CC..Hα-helixtrans-71.1-45.2173.8-175.774.4000110.3L33 L34 H39 Y40 A304 K305 A308 L378 L379 V382L33-L36 WeakPolarHBondContact O-CB 3.35Å; L33-L36 PolarHBondContact O-N 3.27Å; L34-L36 VanDerWaalsContact C-N 3.26Å; L34-L36 PolarHBondContact O-N 3.01Å; L36-H39 PolarHBondContact O-N 3.18Å; L36-Y40 HydrophobicContact CD1-CD2 3.65Å; L36-Y40 HydrophobicContact CD1-CE2 3.6Å; L36-Y40 HydrophobicContact CG-CD2 4.24Å; L36-Y40 PolarHBondContact O-N 3.27Å; L36-Y40 VanDerWaalsContact O-N 3.16Å; L36-A304 HydrophobicContact CD2-CB 4.27Å; L36-K305 HydrophobicContact CD2-CG 4.12Å; L36-A308 HydrophobicContact CD1-CB 4.07Å; L36-A308 HydrophobicContact CG-CB 4.47Å; L36-L378 HydrophobicContact CD1-CB 3.71Å; L36-L379 HydrophobicContact CD1-CD2 4.05Å; L36-L379 HydrophobicContact CD1-CG 4.3Å; L36-L379 HydrophobicContact CD2-CD2 4.21Å; L36-V382 HydrophobicContact CB-CG2 4.2Å; L36-V382 HydrophobicContact CD2-CB 4.45Å; L36-V382 HydrophobicContact CD2-CG2 3.82Å
37E98.1Very high95.5Very high1 Ų137.8 Ų37.81%0.00518%0.182CC..Hα-helixtrans-58.6-48.2178.8-69.2-176.7179.600111.8Y29 L33 L34 R41 F42 H43 R300 A304Y29-E37 WeakPolarHBondContact CE2-OE2 3.26Å; Y29-E37 PolarHBondContact OH-OE2 3.3Å; L33-E37 HydrophobicContact CD1-CG 4.34Å; L33-E37 WeakPolarHBondContact CD2-OE1 3.45Å; L33-E37 HydrophobicContact CG-CG 4.22Å; L33-E37 WeakPolarHBondContact CG-OE1 3.5Å; L33-E37 PolarHBondContact O-N 2.87Å; L33-E37 VanDerWaalsContact O-N 3.1Å; L34-E37 WeakPolarHBondContact O-CB 3.3Å; L34-E37 PolarHBondContact O-N 2.9Å; L34-E37 VanDerWaalsContact O-N 3.11Å; E37-R41 PolarHBondContact O-N 2.69Å; E37-F42 HydrophobicContact CB-CB 3.76Å; E37-F42 HydrophobicContact CB-CD1 4.39Å; E37-F42 HydrophobicContact CB-CG 4.24Å; E37-F42 HydrophobicContact CG-CB 4.03Å; E37-F42 HydrophobicContact CG-CD1 4.03Å; E37-F42 HydrophobicContact CG-CG 3.97Å; E37-F42 WeakPolarHBondContact O-CB 3.35Å; E37-F42 PolarHBondContact O-N 3.25Å; E37-H43 IonicContact OE2-CE1 3.54Å; E37-H43 PolarHBondContact OE2-CE1 3.28Å; E37-H43 IonicContact OE2-NE2 3.4Å; E37-R300 WeakPolarHBondContact OE1-CD 3.15Å; E37-R300 IonicContact OE1-CZ 3.36Å; E37-R300 IonicContact OE1-NE 3.97Å; E37-R300 PolarHBondContact OE1-NE 3.05Å; E37-R300 IonicContact OE1-NH2 2.81Å; E37-R300 PolarHBondContact OE1-NH2 2.66Å; E37-R300 IonicContact OE2-CZ 3.6Å; E37-R300 IonicContact OE2-NE 2.75Å; E37-R300 PolarHBondContact OE2-NE 3.49Å; E37-R300 IonicContact OE2-NH2 3.69Å; E37-R300 PolarHBondContact OE2-NH2 2.86Å; E37-A304 HydrophobicContact CG-CB 4.12Å
38E97.3Very high95.3Very high121 Ų12135.4 Ų35.457%0.56518%0.176SC*.Hα-helixtrans-65.7-44179-69.8-179.2155.300112L34 Y40 R41L34-E38 HydrophobicContact CD1-CG 3.87Å; L34-E38 HydrophobicContact CG-CG 4.19Å; L34-E38 WeakPolarHBondContact O-CG 3.14Å; L34-E38 PolarHBondContact O-N 3.38Å; E38-Y40 VanDerWaalsContact C-N 3.31Å; E38-Y40 PolarHBondContact O-N 3.46Å; E38-R41 PolarHBondContact O-N 2.98Å
39H97.8Very high95.2Very high52 Ų5236.4 Ų36.424%0.24118%0.184CC..Hα-helixtrans-62.6-38.8-177.2-169.263.1000112.5P35 L36 Q372 L378P35-H39 VanDerWaalsContact O-CB 3.24Å; P35-H39 WeakPolarHBondContact O-CB 3.11Å; P35-H39 PolarHBondContact O-N 2.86Å; L36-H39 PolarHBondContact O-N 3.18Å; H39-Q372 VanDerWaalsContact O-CG 3.3Å; H39-Q372 WeakPolarHBondContact O-CG 3.44Å; H39-L378 HydrophobicContact CB-CD1 3.74Å
40Y97.6Very high95Very high3 Ų338 Ų381%0.01219%0.193CC..THydrogen-bonded Turntrans-99.413.4179.4-67.3-70.6000114.1L36 E38 F42 H307 A308 I311 S312 Q372 P373 L374 K375L36-Y40 HydrophobicContact CD1-CD2 3.65Å; L36-Y40 HydrophobicContact CD1-CE2 3.6Å; L36-Y40 HydrophobicContact CG-CD2 4.24Å; L36-Y40 PolarHBondContact O-N 3.27Å; L36-Y40 VanDerWaalsContact O-N 3.16Å; E38-Y40 VanDerWaalsContact C-N 3.31Å; E38-Y40 PolarHBondContact O-N 3.46Å; Y40-F42 PolarHBondContact O-N 3.36Å; Y40-H307 PolarHBondContact O-CD2 3.3Å; Y40-H307 PolarHBondContact O-NE2 3.34Å; Y40-A308 HydrophobicContact CD1-CB 4.3Å; Y40-A308 HydrophobicContact CD2-CB 3.33Å; Y40-A308 HydrophobicContact CE2-CB 3.57Å; Y40-A308 HydrophobicContact CG-CB 3.73Å; Y40-I311 HydrophobicContact CD1-CB 4.17Å; Y40-I311 HydrophobicContact CD1-CG2 4Å; Y40-S312 WeakPolarHBondContact CE1-OG 3.37Å; Y40-Q372 HydrophobicContact CD1-CB 4.43Å; Y40-Q372 HydrophobicContact CE1-CB 4.13Å; Y40-P373 PolarHBondContact OH-O 3.44Å; Y40-L374 VanDerWaalsContact OH-CA 3.29Å; Y40-L374 WeakPolarHBondContact OH-CA 3.35Å; Y40-K375 PolarHBondContact OH-N 3.5Å
41R96.1Very high94.7Very high73 Ų7335.3 Ų35.328%0.27518%0.181SC..THydrogen-bonded Turntrans54.238.1176.6-55.8172.8173.7-128.4-6.6113.1E37 E38 H43 E44 F45E37-R41 PolarHBondContact O-N 2.69Å; E38-R41 PolarHBondContact O-N 2.98Å; R41-H43 PolarHBondContact O-N 3.4Å; R41-H43 VanDerWaalsContact O-N 3.09Å; R41-E44 HydrophobicContact CB-CB 4.45Å; R41-E44 HydrophobicContact CB-CG 4.17Å; R41-E44 IonicContact CZ-OE1 3.03Å; R41-E44 IonicContact NH1-OE1 3.05Å; R41-E44 PolarHBondContact NH1-OE1 2.89Å; R41-E44 IonicContact NH1-OE2 2.71Å; R41-E44 PolarHBondContact O-N 3.05Å; R41-F45 WeakPolarHBondContact O-CD2 3.25Å
42F96.3Very high94.5Very high1 Ų135.3 Ų35.30%0.00418%0.177CC..G310 helixtrans-49.7-39.8-178.4179.2-92.5000112.5E37 Y40 E44 F45 H46 R300 L303 A304 H307E37-F42 HydrophobicContact CB-CB 3.76Å; E37-F42 HydrophobicContact CB-CD1 4.39Å; E37-F42 HydrophobicContact CB-CG 4.24Å; E37-F42 HydrophobicContact CG-CB 4.03Å; E37-F42 HydrophobicContact CG-CD1 4.03Å; E37-F42 HydrophobicContact CG-CG 3.97Å; E37-F42 WeakPolarHBondContact O-CB 3.35Å; E37-F42 PolarHBondContact O-N 3.25Å; Y40-F42 PolarHBondContact O-N 3.36Å; F42-E44 PolarHBondContact O-N 3.43Å; F42-F45 PolarHBondContact O-N 2.89Å; F42-F45 VanDerWaalsContact O-N 3.11Å; F42-H46 HydrophobicContact CD1-CB 4.29Å; F42-H46 HydrophobicContact CD2-CB 4.37Å; F42-H46 AromaticContact CD2-CD2 3.48Å; F42-H46 VanDerWaalsContact CD2-CD2 3.48Å; F42-H46 WeakPolarHBondContact CD2-CD2 3.33Å; F42-H46 HydrophobicContact CE1-CB 3.72Å; F42-H46 HydrophobicContact CE2-CB 3.83Å; F42-H46 AromaticContact CE2-CD2 3.38Å; F42-H46 WeakPolarHBondContact CE2-CD2 3.33Å; F42-H46 AromaticContact CE2-CG 3.77Å; F42-H46 HydrophobicContact CZ-CB 3.48Å; F42-H46 VanDerWaalsContact CZ-CB 3.48Å; F42-H46 AromaticContact CZ-CD2 3.99Å; F42-H46 AromaticContact CZ-CG 3.94Å; F42-H46 PolarHBondContact O-N 3.16Å; F42-R300 HydrophobicContact CZ-CG 4.44Å; F42-L303 HydrophobicContact CE2-CB 4.47Å; F42-L303 HydrophobicContact CE2-CD2 4.24Å; F42-L303 HydrophobicContact CE2-CG 3.99Å; F42-L303 HydrophobicContact CZ-CD2 4.09Å; F42-L303 HydrophobicContact CZ-CG 4.32Å; F42-A304 HydrophobicContact CD2-CB 3.92Å; F42-A304 HydrophobicContact CE2-CB 3.91Å; F42-H307 HydrophobicContact CD2-CB 4.17Å
43H93.2Very high94.2Very high56 Ų5634.1 Ų34.126%0.25917%0.172SC..G310 helixtrans-67.4-17.7-178-49.3-50.1000115E37 R41 F45 S47 P48 A49E37-H43 IonicContact OE2-CE1 3.54Å; E37-H43 PolarHBondContact OE2-CE1 3.28Å; E37-H43 IonicContact OE2-NE2 3.4Å; R41-H43 PolarHBondContact O-N 3.4Å; R41-H43 VanDerWaalsContact O-N 3.09Å; H43-F45 VanDerWaalsContact C-N 3.29Å; H43-S47 WeakPolarHBondContact CA-O 3.48Å; H43-S47 PolarHBondContact ND1-O 2.88Å; H43-P48 VanDerWaalsContact ND1-C 3.3Å; H43-A49 WeakPolarHBondContact CE1-CA 3.04Å; H43-A49 PolarHBondContact CE1-N 3.02Å; H43-A49 VanDerWaalsContact CE1-N 3.3Å; H43-A49 PolarHBondContact ND1-N 3.33Å; H43-A49 VanDerWaalsContact ND1-N 3.13Å
44E90.7Very high93.8Very high89 Ų8935.1 Ų35.142%0.41618%0.178SC..G310 helixtrans-80.7-12.3175.7-63.7179.8-16200112.2R41 F42 Q366R41-E44 HydrophobicContact CB-CB 4.45Å; R41-E44 HydrophobicContact CB-CG 4.17Å; R41-E44 IonicContact CZ-OE1 3.03Å; R41-E44 IonicContact NH1-OE1 3.05Å; R41-E44 PolarHBondContact NH1-OE1 2.89Å; R41-E44 IonicContact NH1-OE2 2.71Å; R41-E44 PolarHBondContact O-N 3.05Å; F42-E44 PolarHBondContact O-N 3.43Å; E44-Q366 PolarHBondContact OE2-OE1 3.2Å
45F91.1Very high93.4Very high4 Ų434.2 Ų34.22%0.01817%0.173CC..THydrogen-bonded Turntrans-119.1-48.5-175-67.2-94.7000112.7R41 F42 H43 H307 I311 M359 Q362 L363 Q366 F371R41-F45 WeakPolarHBondContact O-CD2 3.25Å; F42-F45 PolarHBondContact O-N 2.89Å; F42-F45 VanDerWaalsContact O-N 3.11Å; H43-F45 VanDerWaalsContact C-N 3.29Å; F45-H307 AromaticContact CD2-CE1 3.36Å; F45-H307 WeakPolarHBondContact CD2-CE1 3.45Å; F45-H307 AromaticContact CD2-NE2 3.83Å; F45-H307 AromaticContact CE2-CE1 3.88Å; F45-H307 AromaticContact CG-CE1 3.55Å; F45-I311 HydrophobicContact CE2-CD1 4.09Å; F45-I311 HydrophobicContact CZ-CD1 3.91Å; F45-M359 HydrophobicContact CD1-CE 3.7Å; F45-M359 HydrophobicContact CD1-SD 3.73Å; F45-M359 HydrophobicContact CE1-CE 3.85Å; F45-M359 HydrophobicContact CE1-SD 4.31Å; F45-M359 HydrophobicContact CG-CE 4.35Å; F45-M359 HydrophobicContact CG-SD 4.49Å; F45-Q362 HydrophobicContact CD1-CB 3.93Å; F45-Q362 HydrophobicContact CE1-CB 4.3Å; F45-Q362 PolarHBondContact O-NE2 3.37Å; F45-Q362 PolarHBondContact O-OE1 3.44Å; F45-L363 HydrophobicContact CE1-CD2 3.58Å; F45-L363 HydrophobicContact CE1-CG 3.99Å; F45-L363 HydrophobicContact CZ-CD2 3.91Å; F45-Q366 HydrophobicContact CE1-CG 3.94Å; F45-Q366 HydrophobicContact CE2-CG 4.41Å; F45-Q366 HydrophobicContact CZ-CB 4.29Å; F45-Q366 HydrophobicContact CZ-CG 3.61Å; F45-F371 HydrophobicContact CZ-CE1 4.3Å; F45-F371 HydrophobicContact CZ-CZ 4.11Å
46H89.8Confident92.9Very high33 Ų3336.6 Ų36.615%0.15318%0.183CC..SBendtrans-104.1-87-168.5-57.3-64.7000110.9F42 L303 H307F42-H46 HydrophobicContact CD1-CB 4.29Å; F42-H46 HydrophobicContact CD2-CB 4.37Å; F42-H46 AromaticContact CD2-CD2 3.48Å; F42-H46 VanDerWaalsContact CD2-CD2 3.48Å; F42-H46 WeakPolarHBondContact CD2-CD2 3.33Å; F42-H46 HydrophobicContact CE1-CB 3.72Å; F42-H46 HydrophobicContact CE2-CB 3.83Å; F42-H46 AromaticContact CE2-CD2 3.38Å; F42-H46 WeakPolarHBondContact CE2-CD2 3.33Å; F42-H46 AromaticContact CE2-CG 3.77Å; F42-H46 HydrophobicContact CZ-CB 3.48Å; F42-H46 VanDerWaalsContact CZ-CB 3.48Å; F42-H46 AromaticContact CZ-CD2 3.99Å; F42-H46 AromaticContact CZ-CG 3.94Å; F42-H46 PolarHBondContact O-N 3.16Å; H46-L303 HydrophobicContact CB-CD2 4.35Å; H46-H307 AromaticContact CD2-CG 3.84Å; H46-H307 AromaticContact CD2-ND1 3.61Å; H46-H307 AromaticContact NE2-CE1 3.74Å; H46-H307 AromaticContact NE2-CG 3.47Å; H46-H307 AromaticContact NE2-ND1 2.95Å; H46-H307 PolarHBondContact NE2-ND1 3.47Å
47S87.7Confident92.4Very high6 Ų637.5 Ų37.54%0.04219%0.188CC..  trans-142153.4-177.650.10000113.4H43 E180 R300H43-S47 WeakPolarHBondContact CA-O 3.48Å; H43-S47 PolarHBondContact ND1-O 2.88Å; S47-E180 VanDerWaalsContact CB-OE1 3.27Å; S47-E180 WeakPolarHBondContact CB-OE1 3.29Å; S47-E180 WeakPolarHBondContact CB-OE2 3.36Å; S47-E180 PolarHBondContact OG-OE1 3.49Å; S47-R300 PolarHBondContact O-NH2 2.93Å; S47-R300 PolarHBondContact OG-NH1 3.35Å
48P90.8Very high92.1Very high37 Ų3741 Ų4124%0.2420%0.203CC..PPolyproline II helixtrans-58162.6-179-24.134.2000113.3H43 K124 R300H43-P48 VanDerWaalsContact ND1-C 3.3Å; P48-K124 HydrophobicContact CB-CB 4.22Å; P48-K124 HydrophobicContact CB-CD 3.84Å; P48-K124 HydrophobicContact CB-CG 3.81Å; P48-K124 HydrophobicContact CG-CB 4.14Å; P48-K124 HydrophobicContact CG-CG 4.29Å; P48-R300 PolarHBondContact O-NH2 2.94Å
49A92.8Very high91.9Very high23 Ų2335.6 Ų35.619%0.1918%0.178CC..PPolyproline II helixtrans-60.9138.5171.900000110.7Y29 L34 H43 K124Y29-A49 WeakPolarHBondContact OH-CA 3.46Å; L34-A49 HydrophobicContact CD1-CB 4.06Å; H43-A49 WeakPolarHBondContact CE1-CA 3.04Å; H43-A49 PolarHBondContact CE1-N 3.02Å; H43-A49 VanDerWaalsContact CE1-N 3.3Å; H43-A49 PolarHBondContact ND1-N 3.33Å; H43-A49 VanDerWaalsContact ND1-N 3.13Å; A49-K124 WeakPolarHBondContact O-CE 3.5Å
50L91.9Very high91.9Very high33 Ų3333.2 Ų33.217%0.17317%0.167CC..PPolyproline II helixtrans-72139.2175.9-55.5176.4000109.8Y29 D54 F55Y29-L50 HydrophobicContact CD1-CB 4.04Å; Y29-L50 HydrophobicContact CD2-CD1 4.04Å; Y29-L50 HydrophobicContact CE1-CB 3.57Å; Y29-L50 HydrophobicContact CE1-CG 4.24Å; Y29-L50 WeakPolarHBondContact CE1-O 3.18Å; Y29-L50 HydrophobicContact CE2-CB 4.35Å; Y29-L50 HydrophobicContact CE2-CD1 3.98Å; Y29-L50 HydrophobicContact CE2-CG 4.13Å; Y29-L50 HydrophobicContact CG-CD1 4.36Å; Y29-L50 PolarHBondContact OH-N 3.05Å; L50-D54 WeakPolarHBondContact CA-OD2 3.32Å; L50-D54 HydrophobicContact CB-CB 4.39Å; L50-D54 HydrophobicContact CD2-CB 4.34Å; L50-F55 HydrophobicContact CB-CE2 3.84Å; L50-F55 HydrophobicContact CB-CZ 4.09Å; L50-F55 HydrophobicContact CD1-CE1 4.49Å; L50-F55 HydrophobicContact CD1-CE2 4.35Å; L50-F55 HydrophobicContact CD1-CZ 3.77Å
51E91.3Very high91.9Very high38 Ų3833.1 Ų33.118%0.17817%0.167CC..  trans-105.9168175.7-62.5-171.6-171.800110.2A53 D54 F55 R123 K124E51-A53 PolarHBondContact O-N 2.8Å; E51-D54 PolarHBondContact N-OD2 3.43Å; E51-D54 WeakPolarHBondContact O-CB 3.42Å; E51-D54 PolarHBondContact O-N 2.85Å; E51-F55 WeakPolarHBondContact O-CD2 3.35Å; E51-R123 IonicContact OE1-NH1 3.01Å; E51-R123 WeakPolarHBondContact OE2-CD 3.37Å; E51-R123 IonicContact OE2-CZ 2.67Å; E51-R123 IonicContact OE2-NE 2.77Å; E51-R123 IonicContact OE2-NH1 2.56Å; E51-R123 PolarHBondContact OE2-NH1 3.39Å; E51-K124 WeakPolarHBondContact OE1-CE 3.46Å; E51-K124 IonicContact OE1-NZ 3.19Å; E51-K124 PolarHBondContact OE1-NZ 3.31Å
52D91.6Very high92Very high65 Ų6529.7 Ų29.735%0.34815%0.154SC..Hα-helixtrans-59.5-33.3-178-70.9-17.2000112.5K26 K30 D54 F55 D56K26-D52 HydrophobicContact CD-CB 4.41Å; K26-D52 WeakPolarHBondContact CD-OD1 3.35Å; K26-D52 VanDerWaalsContact CE-OD1 3.29Å; K26-D52 WeakPolarHBondContact CE-OD1 3.37Å; K26-D52 WeakPolarHBondContact CG-OD1 3.18Å; K30-D52 WeakPolarHBondContact CE-OD1 3.5Å; K30-D52 IonicContact NZ-OD1 3.64Å; K30-D52 PolarHBondContact NZ-OD1 3.27Å; K30-D52 IonicContact NZ-OD2 2.66Å; K30-D52 PolarHBondContact NZ-OD2 3.47Å; D52-D54 PolarHBondContact O-N 3.02Å; D52-F55 PolarHBondContact O-N 2.96Å; D52-D56 VanDerWaalsContact O-CG 3.31Å; D52-D56 PolarHBondContact O-N 3.23Å
53A90.5Very high92.1Very high6 Ų629.6 Ų29.65%0.0515%0.154CC..Hα-helixtrans-61.5-27.817500000113.6E51 F55 N57 P121E51-A53 PolarHBondContact O-N 2.8Å; A53-F55 PolarHBondContact O-N 3.39Å; A53-N57 VanDerWaalsContact O-CB 3.24Å; A53-N57 WeakPolarHBondContact O-CB 3.21Å; A53-N57 PolarHBondContact O-N 3.1Å; A53-P121 HydrophobicContact CB-CB 4.29Å
54D89.6Confident92.2Very high20 Ų2027 Ų2711%0.10714%0.141CC..Hα-helixtrans-70.4-23.8176.4-63.8-64.5000111.8L50 E51 D52 N57 R181L50-D54 WeakPolarHBondContact CA-OD2 3.32Å; L50-D54 HydrophobicContact CB-CB 4.39Å; L50-D54 HydrophobicContact CD2-CB 4.34Å; E51-D54 PolarHBondContact N-OD2 3.43Å; E51-D54 WeakPolarHBondContact O-CB 3.42Å; E51-D54 PolarHBondContact O-N 2.85Å; D52-D54 PolarHBondContact O-N 3.02Å; D54-N57 PolarHBondContact O-OD1 3.39Å; D54-R181 IonicContact OD1-NE 2.65Å; D54-R181 PolarHBondContact OD1-NE 3.28Å
55F89.8Confident92.4Very high12 Ų1222.7 Ų22.75%0.05312%0.122CC..Hα-helixtrans-92.8-32.9176.8-61-84000112.2S22 L25 K26 Y29 L50 E51 D52 A53 K293S22-F55 PolarHBondContact OG-O 2.91Å; S22-F55 VanDerWaalsContact OG-O 3.09Å; L25-F55 HydrophobicContact CB-CD1 3.87Å; L25-F55 HydrophobicContact CB-CE1 4.02Å; K26-F55 HydrophobicContact CB-CB 4.46Å; K26-F55 HydrophobicContact CB-CD1 4.41Å; K26-F55 HydrophobicContact CB-CD2 4.17Å; K26-F55 HydrophobicContact CB-CG 4.09Å; K26-F55 HydrophobicContact CG-CD2 4.27Å; Y29-F55 HydrophobicContact CD1-CE2 4.04Å; Y29-F55 AromaticContact CD1-CZ 3.9Å; Y29-F55 HydrophobicContact CD1-CZ 3.9Å; Y29-F55 HydrophobicContact CG-CE2 4.38Å; Y29-F55 AromaticContact CG-CZ 3.78Å; Y29-F55 HydrophobicContact CG-CZ 3.78Å; L50-F55 HydrophobicContact CB-CE2 3.84Å; L50-F55 HydrophobicContact CB-CZ 4.09Å; L50-F55 HydrophobicContact CD1-CE1 4.49Å; L50-F55 HydrophobicContact CD1-CE2 4.35Å; L50-F55 HydrophobicContact CD1-CZ 3.77Å; E51-F55 WeakPolarHBondContact O-CD2 3.35Å; D52-F55 PolarHBondContact O-N 2.96Å; A53-F55 PolarHBondContact O-N 3.39Å; F55-K293 PolarHBondContact O-NZ 3.48Å
56D88.2Confident92.4Very high95 Ų9523.4 Ų23.451%0.50813%0.125SC..Hα-helixtrans-92.2-10.4-174.1-58-28.5000113.3S22 K26 D52S22-D56 PolarHBondContact OG-OD1 2.89Å; K26-D56 IonicContact NZ-OD1 2.79Å; K26-D56 PolarHBondContact NZ-OD1 3.44Å; K26-D56 IonicContact NZ-OD2 2.72Å; K26-D56 PolarHBondContact NZ-OD2 3.4Å; D52-D56 VanDerWaalsContact O-CG 3.31Å; D52-D56 PolarHBondContact O-N 3.23Å
57N88.3Confident92.3Very high20 Ų2024.6 Ų24.611%0.10713%0.128CC..SBendtrans-63.1150.5179.166.8-15.3000113.1A53 D54 M60 P121 K293A53-N57 VanDerWaalsContact O-CB 3.24Å; A53-N57 WeakPolarHBondContact O-CB 3.21Å; A53-N57 PolarHBondContact O-N 3.1Å; D54-N57 PolarHBondContact O-OD1 3.39Å; N57-M60 WeakPolarHBondContact ND2-CE 3.46Å; N57-P121 HydrophobicContact CB-CB 4.38Å; N57-P121 HydrophobicContact CB-CG 4.07Å; N57-K293 PolarHBondContact O-NZ 3.32Å; N57-K293 WeakPolarHBondContact OD1-CE 3.44Å; N57-K293 PolarHBondContact OD1-NZ 3.47Å
58K91.4Very high92.3Very high74 Ų7426.9 Ų26.932%0.32214%0.144SC..PPolyproline II helixtrans-67.2155.6166.2-64-179.8-170.9-174.10110.1M60 L146 E147K58-M60 PolarHBondContact O-N 2.79Å; K58-L146 PolarHBondContact NZ-O 2.8Å; K58-E147 WeakPolarHBondContact CD-O 3.43Å; K58-E147 WeakPolarHBondContact CE-O 3.19Å; K58-E147 VanDerWaalsContact NZ-CA 3.27Å; K58-E147 PolarHBondContact NZ-O 3.43Å
59P94.2Very high92.4Very high8 Ų825.4 Ų25.45%0.05214%0.135CC..PPolyproline II helixtrans-55.8139.5174.5-20.429.2000111.8S148 I149 S150 D183 L285 P286 A289P59-S148 WeakPolarHBondContact CD-O 3.2Å; P59-I149 HydrophobicContact CB-CG2 4.24Å; P59-I149 CarbonylContact O-C 3.59Å; P59-I149 WeakPolarHBondContact O-CA 3.41Å; P59-S150 PolarHBondContact O-N 2.7Å; P59-D183 WeakPolarHBondContact CA-OD2 3.25Å; P59-D183 HydrophobicContact CB-CB 4.16Å; P59-D183 WeakPolarHBondContact CB-OD2 3.31Å; P59-L285 HydrophobicContact CB-CB 4.02Å; P59-L285 HydrophobicContact CG-CB 4.43Å; P59-P286 HydrophobicContact CG-CB 4.46Å; P59-A289 HydrophobicContact CG-CB 3.78Å
60M96.4Very high92.5Very high1 Ų124.9 Ų24.91%0.00513%0.132CC..EExtended strand (participates in β ladder)trans-113.4137.6-178.8-62.9-176.4-6400111.7N57 K58 P121 F122 S150 R181 V182 D183 R184N57-M60 WeakPolarHBondContact ND2-CE 3.46Å; K58-M60 PolarHBondContact O-N 2.79Å; M60-P121 HydrophobicContact SD-CG 4.32Å; M60-F122 HydrophobicContact SD-CE1 4.37Å; M60-F122 HydrophobicContact SD-CZ 4.45Å; M60-S150 CarbonylContact C-O 3.53Å; M60-S150 VanDerWaalsContact CA-O 3.31Å; M60-S150 WeakPolarHBondContact CA-O 3.36Å; M60-R181 HydrophobicContact CE-CB 3.85Å; M60-R181 VanDerWaalsContact CE-O 3.27Å; M60-R181 WeakPolarHBondContact CE-O 3.47Å; M60-V182 HydrophobicContact CB-CB 4.18Å; M60-V182 HydrophobicContact CB-CG1 3.82Å; M60-V182 HydrophobicContact CE-CG1 4.27Å; M60-V182 WeakPolarHBondContact O-CB 3.39Å; M60-D183 PolarHBondContact N-OD2 3.05Å; M60-D183 PolarHBondContact O-N 2.98Å; M60-R184 PolarHBondContact O-N 3.25Å
61V98Very high92.6Very high2 Ų223.9 Ų23.91%0.01213%0.126CC..EExtended strand (participates in β ladder)trans-109.9119.6173.1-176.50000108.8L63 I149 S150 V151 I152 R184 I186 L285V61-L63 HydrophobicContact CG1-CD2 4.19Å; V61-I149 HydrophobicContact CG2-CD1 4.35Å; V61-S150 PolarHBondContact N-O 3.45Å; V61-V151 CarbonylContact O-C 3.59Å; V61-V151 WeakPolarHBondContact O-CA 3.2Å; V61-I152 PolarHBondContact O-N 3.47Å; V61-R184 WeakPolarHBondContact CA-O 3.44Å; V61-R184 HydrophobicContact CG1-CB 4.32Å; V61-R184 HydrophobicContact CG2-CB 4.27Å; V61-I186 HydrophobicContact CG1-CD1 3.59Å; V61-I186 HydrophobicContact CG1-CG1 3.85Å; V61-L285 HydrophobicContact CG2-CD1 3.4Å
62L98.3Very high92.8Very high0 Ų022.6 Ų22.60%012%0.121CC..EExtended strand (participates in β ladder)trans-96.3124.1177-178.466.5000110.2V64 I152 T154 L175 F178 V182 R184 I185 I186L62-V64 HydrophobicContact CD2-CG2 3.88Å; L62-V64 HydrophobicContact CG-CG2 3.79Å; L62-I152 HydrophobicContact CD1-CB 3.75Å; L62-I152 HydrophobicContact CD1-CG2 3.63Å; L62-T154 HydrophobicContact CD1-CG2 3.51Å; L62-T154 HydrophobicContact CG-CG2 4.37Å; L62-L175 HydrophobicContact CD1-CD2 4.28Å; L62-L175 HydrophobicContact CD2-CD2 4.19Å; L62-F178 HydrophobicContact CD1-CB 4.13Å; L62-F178 HydrophobicContact CD1-CG 4.3Å; L62-F178 HydrophobicContact CD2-CB 3.91Å; L62-V182 HydrophobicContact CB-CB 4.31Å; L62-V182 HydrophobicContact CB-CG1 4Å; L62-V182 HydrophobicContact CB-CG2 4.07Å; L62-R184 PolarHBondContact N-O 3.23Å; L62-I185 HydrophobicContact CD2-CG1 4.39Å; L62-I185 HydrophobicContact CD2-CG2 4.39Å; L62-I185 CarbonylContact O-C 3.25Å; L62-I185 WeakPolarHBondContact O-CA 3.44Å; L62-I186 PolarHBondContact O-N 3.15Å
63L97.9Very high92.9Very high0 Ų021.1 Ų21.10%011%0.114CC..EExtended strand (participates in β ladder)trans-97.7122.9173-57.7-168.7000110.2V61 K71 F74 I75 V151 I152 T154 I186 L188V61-L63 HydrophobicContact CG1-CD2 4.19Å; L63-K71 HydrophobicContact CB-CB 4.33Å; L63-K71 HydrophobicContact CB-CD 4.38Å; L63-K71 HydrophobicContact CB-CG 4.3Å; L63-K71 HydrophobicContact CD1-CB 4.25Å; L63-K71 WeakPolarHBondContact CD1-O 3.34Å; L63-F74 HydrophobicContact CD1-CB 4.49Å; L63-F74 HydrophobicContact CD1-CD1 3.85Å; L63-F74 HydrophobicContact CD2-CD1 4.06Å; L63-F74 HydrophobicContact CD2-CE1 4.12Å; L63-I75 HydrophobicContact CD1-CD1 3.77Å; L63-I75 HydrophobicContact CD1-CG1 3.34Å; L63-I75 HydrophobicContact CG-CG1 4.43Å; L63-V151 HydrophobicContact CD1-CG1 4.39Å; L63-V151 HydrophobicContact CG-CG1 4.18Å; L63-I152 PolarHBondContact N-O 3.22Å; L63-T154 WeakPolarHBondContact O-CB 3.48Å; L63-T154 WeakPolarHBondContact O-CG2 3.36Å; L63-T154 PolarHBondContact O-OG1 3.03Å; L63-I186 HydrophobicContact CD2-CB 3.65Å; L63-I186 HydrophobicContact CD2-CD1 3.83Å; L63-I186 HydrophobicContact CD2-CG1 4.06Å; L63-I186 HydrophobicContact CD2-CG2 4.25Å; L63-L188 HydrophobicContact CB-CD1 4.25Å; L63-L188 HydrophobicContact CD2-CD1 4.08Å
64V96.6Very high93.2Very high0 Ų020.8 Ų20.80%011%0.112CC..EExtended strand (participates in β ladder)trans-125.9139.6178.6-1720000109.4L62 I157 L175 I185 I186 L187 L188 F200 V203L62-V64 HydrophobicContact CD2-CG2 3.88Å; L62-V64 HydrophobicContact CG-CG2 3.79Å; V64-I157 HydrophobicContact CG1-CD1 3.79Å; V64-L175 HydrophobicContact CG1-CD1 3.96Å; V64-L175 HydrophobicContact CG2-CD2 4.12Å; V64-I185 HydrophobicContact CG2-CG2 4.14Å; V64-I186 PolarHBondContact N-O 3.36Å; V64-L187 HydrophobicContact CB-CD2 3.87Å; V64-L187 HydrophobicContact CG1-CD2 4.36Å; V64-L187 HydrophobicContact CG2-CD2 4.47Å; V64-L187 CarbonylContact O-C 3.53Å; V64-L187 WeakPolarHBondContact O-CA 3.22Å; V64-L188 PolarHBondContact O-N 3.09Å; V64-F200 HydrophobicContact CG1-CE2 3.94Å; V64-V203 HydrophobicContact CG1-CG1 3.96Å
65G94.2Very high93.5Very high0 Ų019.9 Ų19.90%011%0.107CC..EExtended strand (participates in β ladder)trans170.7165.1176.600000113K71 I157G65-K71 PolarHBondContact O-NZ 2.71Å; G65-I157 PolarHBondContact O-N 2.88Å; G65-I157 VanDerWaalsContact O-N 3.13Å
66Q91Very high93.7Very high19 Ų1924.4 Ų24.49%0.08912%0.123CC..BIsolated β-bridgetrans-63.8175.7178.3-58.4-151.691.700112.5T69 K71 I157 D195 S197 F200Q66-T69 HydrophobicContact CB-CG2 4.08Å; Q66-T69 WeakPolarHBondContact O-CG2 3.35Å; Q66-T69 PolarHBondContact O-OG1 2.72Å; Q66-T69 VanDerWaalsContact O-OG1 3.09Å; Q66-K71 PolarHBondContact O-NZ 3.5Å; Q66-I157 WeakPolarHBondContact CA-O 3.44Å; Q66-I157 HydrophobicContact CG-CB 4.45Å; Q66-D195 PolarHBondContact NE2-O 3.4Å; Q66-S197 VanDerWaalsContact OE1-CB 3.23Å; Q66-S197 PolarHBondContact OE1-OG 3.37Å; Q66-F200 HydrophobicContact CG-CB 4.28Å; Q66-F200 HydrophobicContact CG-CD1 3.57Å; Q66-F200 HydrophobicContact CG-CE1 4.12Å; Q66-F200 HydrophobicContact CG-CG 4.15Å
67Y88.3Confident94Very high57 Ų5721.5 Ų21.522%0.22411%0.106CC..THydrogen-bonded Turntrans-59.3144.2175.6-79.2-88.3000112.2T69 P92 G156 I157 L158Y67-T69 PolarHBondContact O-N 3.06Å; Y67-P92 HydrophobicContact CD1-CB 3.83Å; Y67-P92 HydrophobicContact CD1-CG 4.21Å; Y67-P92 HydrophobicContact CE1-CB 3.5Å; Y67-P92 VanDerWaalsContact CE1-CB 3.5Å; Y67-P92 HydrophobicContact CE1-CG 4.26Å; Y67-G156 VanDerWaalsContact CE2-CA 3.48Å; Y67-G156 WeakPolarHBondContact CE2-O 3.27Å; Y67-G156 PolarHBondContact OH-O 2.8Å; Y67-I157 VanDerWaalsContact CD2-O 3.22Å; Y67-I157 WeakPolarHBondContact CD2-O 3.25Å; Y67-I157 PolarHBondContact N-O 2.72Å; Y67-L158 HydrophobicContact CD2-CD2 3.48Å; Y67-L158 VanDerWaalsContact CD2-CD2 3.48Å; Y67-L158 HydrophobicContact CD2-CG 4.07Å; Y67-L158 HydrophobicContact CE1-CD2 4.31Å; Y67-L158 HydrophobicContact CE2-CB 4.03Å; Y67-L158 HydrophobicContact CE2-CD1 4.35Å; Y67-L158 HydrophobicContact CE2-CD2 2.95Å; Y67-L158 HydrophobicContact CE2-CG 3.23Å; Y67-L158 HydrophobicContact CG-CD2 4.37Å
68S88.1Confident94.2Very high54 Ų5420.7 Ų20.738%0.37810%0.101SC..THydrogen-bonded Turntrans61.214.5172.4-50.70000115.2G70 K220S68-G70 PolarHBondContact O-N 3.42Å; S68-K220 WeakPolarHBondContact O-CE 3.35Å; S68-K220 PolarHBondContact O-NZ 3.43Å
69T92.7Very high94.3Very high6 Ų617.3 Ų17.34%0.0379%0.087CC..SBendtrans-72.4-8172.860.10000113.7Q66 Y67 D190 N219Q66-T69 HydrophobicContact CB-CG2 4.08Å; Q66-T69 WeakPolarHBondContact O-CG2 3.35Å; Q66-T69 PolarHBondContact O-OG1 2.72Å; Q66-T69 VanDerWaalsContact O-OG1 3.09Å; Y67-T69 PolarHBondContact O-N 3.06Å; T69-D190 HydrophobicContact CG2-CB 4.32Å; T69-N219 PolarHBondContact O-ND2 3.48Å
70G93.4Very high94.1Very high12 Ų1223.1 Ų23.112%0.12411%0.113CC..SBendtrans95.522.1173.300000115.7S68 T73 F74S68-G70 PolarHBondContact O-N 3.42Å; G70-T73 PolarHBondContact O-N 2.89Å; G70-F74 VanDerWaalsContact O-CB 3.27Å; G70-F74 WeakPolarHBondContact O-CB 3.38Å; G70-F74 PolarHBondContact O-N 2.84Å
71K95Very high93.8Very high12 Ų1225.9 Ų25.95%0.05213%0.126CC..Hα-helixtrans-53.4-57.6178.5-62.3-179.1-67.8-67.20113.3L63 G65 Q66 T73 F74 I75 D153 T154 L188L63-K71 HydrophobicContact CB-CB 4.33Å; L63-K71 HydrophobicContact CB-CD 4.38Å; L63-K71 HydrophobicContact CB-CG 4.3Å; L63-K71 HydrophobicContact CD1-CB 4.25Å; L63-K71 WeakPolarHBondContact CD1-O 3.34Å; G65-K71 PolarHBondContact O-NZ 2.71Å; Q66-K71 PolarHBondContact O-NZ 3.5Å; K71-T73 VanDerWaalsContact C-N 3.31Å; K71-T73 PolarHBondContact O-N 3.11Å; K71-F74 VanDerWaalsContact O-CB 3.31Å; K71-F74 WeakPolarHBondContact O-CB 3.29Å; K71-F74 PolarHBondContact O-N 3.04Å; K71-F74 VanDerWaalsContact O-N 3.1Å; K71-I75 PolarHBondContact O-N 3.16Å; K71-D153 WeakPolarHBondContact CB-OD1 3.39Å; K71-T154 WeakPolarHBondContact CE-O 3.3Å; K71-L188 HydrophobicContact CG-CB 4.46Å; K71-L188 HydrophobicContact CG-CD1 4.31Å; K71-L188 HydrophobicContact CG-CD2 4.26Å
72T94.8Very high93.6Very high12 Ų1229.7 Ų29.77%0.07415%0.146CC..Hα-helixtrans-62.2-38.6179.7-48.80000111.9F74 I75 R76 F83 M86 I88 T94 D153T72-F74 VanDerWaalsContact C-N 3.35Å; T72-I75 PolarHBondContact O-N 3.36Å; T72-R76 PolarHBondContact O-N 3.25Å; T72-F83 HydrophobicContact CG2-CE1 4.24Å; T72-F83 HydrophobicContact CG2-CZ 3.81Å; T72-M86 HydrophobicContact CG2-CB 3.94Å; T72-M86 HydrophobicContact CG2-CE 4.3Å; T72-I88 HydrophobicContact CG2-CD1 4.46Å; T72-I88 HydrophobicContact CG2-CG1 3.84Å; T72-T94 PolarHBondContact OG1-OG1 3.01Å; T72-D153 WeakPolarHBondContact CB-OD2 3.38Å; T72-D153 PolarHBondContact OG1-OD2 3.19Å
73T94.2Very high93.4Very high33 Ų3330 Ų3020%0.20215%0.148CC..Hα-helixtrans-64.2-39.3174-520000111.9G70 K71 R76 Y77 W258G70-T73 PolarHBondContact O-N 2.89Å; K71-T73 VanDerWaalsContact C-N 3.31Å; K71-T73 PolarHBondContact O-N 3.11Å; T73-R76 PolarHBondContact O-N 2.93Å; T73-Y77 VanDerWaalsContact O-CB 3.3Å; T73-Y77 WeakPolarHBondContact O-CB 3.11Å; T73-Y77 PolarHBondContact O-N 3.33Å; T73-W258 HydrophobicContact CG2-CB 3.99Å
74F96.3Very high93.2Very high0 Ų031.2 Ų31.20%016%0.155CC..Hα-helixtrans-63.1-41.7176.9-177.8-86.9000111.1L63 G70 K71 T72 Y77 L78 I186 L188 F257 L278 I282L63-F74 HydrophobicContact CD1-CB 4.49Å; L63-F74 HydrophobicContact CD1-CD1 3.85Å; L63-F74 HydrophobicContact CD2-CD1 4.06Å; L63-F74 HydrophobicContact CD2-CE1 4.12Å; G70-F74 VanDerWaalsContact O-CB 3.27Å; G70-F74 WeakPolarHBondContact O-CB 3.38Å; G70-F74 PolarHBondContact O-N 2.84Å; K71-F74 VanDerWaalsContact O-CB 3.31Å; K71-F74 WeakPolarHBondContact O-CB 3.29Å; K71-F74 PolarHBondContact O-N 3.04Å; K71-F74 VanDerWaalsContact O-N 3.1Å; T72-F74 VanDerWaalsContact C-N 3.35Å; F74-Y77 WeakPolarHBondContact O-CB 3.34Å; F74-Y77 PolarHBondContact O-N 3.41Å; F74-L78 HydrophobicContact CD1-CD1 3.96Å; F74-L78 HydrophobicContact CD1-CG 4.16Å; F74-L78 HydrophobicContact CE1-CD1 3.43Å; F74-L78 VanDerWaalsContact CE1-CD1 3.43Å; F74-L78 HydrophobicContact CE1-CD2 4.33Å; F74-L78 HydrophobicContact CE1-CG 3.85Å; F74-L78 HydrophobicContact CZ-CD1 4.15Å; F74-L78 HydrophobicContact CZ-CD2 4.28Å; F74-L78 HydrophobicContact CZ-CG 4.28Å; F74-L78 WeakPolarHBondContact O-CG 3.41Å; F74-L78 PolarHBondContact O-N 3.29Å; F74-I186 HydrophobicContact CE1-CD1 3.93Å; F74-I186 HydrophobicContact CZ-CD1 4.11Å; F74-L188 HydrophobicContact CB-CD2 4.1Å; F74-L188 HydrophobicContact CD2-CD2 4.48Å; F74-L188 HydrophobicContact CG-CD2 4.36Å; F74-F257 HydrophobicContact CD2-CB 3.42Å; F74-F257 VanDerWaalsContact CD2-CB 3.42Å; F74-F257 HydrophobicContact CD2-CD1 4.08Å; F74-F257 HydrophobicContact CD2-CD2 4.26Å; F74-F257 AromaticContact CD2-CG 3.66Å; F74-F257 HydrophobicContact CD2-CG 3.66Å; F74-F257 HydrophobicContact CE2-CB 3.85Å; F74-F257 AromaticContact CE2-CD1 3.56Å; F74-F257 HydrophobicContact CE2-CD1 3.56Å; F74-F257 HydrophobicContact CE2-CD2 4.19Å; F74-F257 HydrophobicContact CE2-CE1 4.15Å; F74-F257 AromaticContact CE2-CG 3.58Å; F74-F257 HydrophobicContact CE2-CG 3.58Å; F74-F257 HydrophobicContact CG-CB 4.49Å; F74-L278 HydrophobicContact CE2-CD2 3.74Å; F74-L278 HydrophobicContact CZ-CD2 3.66Å; F74-I282 HydrophobicContact CZ-CD1 4.44Å
75I96.4Very high92.8Very high0 Ų033 Ų330%017%0.174CC..Hα-helixtrans-62.6-50.3174.2-58.2178.7000110.5L63 K71 T72 Y77 L78 L79 F83 V100 V151 D153L63-I75 HydrophobicContact CD1-CD1 3.77Å; L63-I75 HydrophobicContact CD1-CG1 3.34Å; L63-I75 HydrophobicContact CG-CG1 4.43Å; K71-I75 PolarHBondContact O-N 3.16Å; T72-I75 PolarHBondContact O-N 3.36Å; I75-Y77 PolarHBondContact O-N 3.44Å; I75-L78 PolarHBondContact O-N 2.95Å; I75-L79 HydrophobicContact CG2-CD1 3.81Å; I75-L79 HydrophobicContact CG2-CG 4.17Å; I75-L79 WeakPolarHBondContact O-CG 3.48Å; I75-L79 PolarHBondContact O-N 2.76Å; I75-F83 HydrophobicContact CB-CE1 3.76Å; I75-F83 HydrophobicContact CB-CZ 4.25Å; I75-F83 HydrophobicContact CD1-CZ 4.25Å; I75-F83 HydrophobicContact CG2-CD1 3.91Å; I75-F83 HydrophobicContact CG2-CE1 3.53Å; I75-F83 HydrophobicContact CG2-CZ 4.1Å; I75-V100 HydrophobicContact CD1-CG2 4.49Å; I75-V100 HydrophobicContact CG2-CG2 4.4Å; I75-V151 HydrophobicContact CD1-CG1 3.77Å; I75-V151 HydrophobicContact CG1-CG1 3.81Å; I75-D153 HydrophobicContact CD1-CB 3.44Å; I75-D153 VanDerWaalsContact CD1-CB 3.44Å
76R94.8Very high92.5Very high108 Ų10834.7 Ų34.741%0.40818%0.182SC..Hα-helixtrans-54.8-40.7176.5-179.7-169.6175.91766111.4T72 T73 L79 E80 Q81 D82 M86T72-R76 PolarHBondContact O-N 3.25Å; T73-R76 PolarHBondContact O-N 2.93Å; R76-L79 PolarHBondContact O-N 3.3Å; R76-E80 WeakPolarHBondContact O-CA 3.37Å; R76-E80 PolarHBondContact O-N 2.87Å; R76-Q81 PolarHBondContact O-N 2.87Å; R76-D82 WeakPolarHBondContact CD-OD1 3.47Å; R76-D82 WeakPolarHBondContact CG-OD1 3.17Å; R76-D82 IonicContact CZ-OD1 2.87Å; R76-D82 IonicContact NE-OD1 2.9Å; R76-D82 PolarHBondContact NE-OD1 2.99Å; R76-D82 IonicContact NH1-OD1 2.81Å; R76-D82 IonicContact NH2-OD1 2.8Å; R76-M86 HydrophobicContact CB-CE 4.11Å; R76-M86 HydrophobicContact CG-CE 4.22Å
77Y93.2Very high92.1Very high34 Ų3441.3 Ų41.313%0.13321%0.206CC..Hα-helixtrans-63.3-50.7177.6-175.7-119.6000111.4T73 F74 I75 L79 E80 F257 W258 E275 F279 A413T73-Y77 VanDerWaalsContact O-CB 3.3Å; T73-Y77 WeakPolarHBondContact O-CB 3.11Å; T73-Y77 PolarHBondContact O-N 3.33Å; F74-Y77 WeakPolarHBondContact O-CB 3.34Å; F74-Y77 PolarHBondContact O-N 3.41Å; I75-Y77 PolarHBondContact O-N 3.44Å; Y77-L79 VanDerWaalsContact C-N 3.3Å; Y77-L79 PolarHBondContact O-N 3.13Å; Y77-E80 PolarHBondContact O-N 3.05Å; Y77-E80 VanDerWaalsContact O-N 3.16Å; Y77-F257 HydrophobicContact CD1-CB 3.91Å; Y77-F257 HydrophobicContact CD1-CD1 4.47Å; Y77-F257 HydrophobicContact CE1-CB 4.27Å; Y77-F257 HydrophobicContact CE1-CD1 4.31Å; Y77-W258 VanDerWaalsContact CD2-C 3.44Å; Y77-W258 VanDerWaalsContact CE2-C 3.45Å; Y77-W258 WeakPolarHBondContact CE2-O 3.47Å; Y77-E275 WeakPolarHBondContact CE1-OE1 3.45Å; Y77-E275 VanDerWaalsContact CZ-OE1 3.22Å; Y77-E275 PolarHBondContact OH-OE1 3.39Å; Y77-F279 HydrophobicContact CD1-CZ 4.18Å; Y77-F279 HydrophobicContact CE1-CE2 4.5Å; Y77-F279 AromaticContact CE1-CZ 3.65Å; Y77-F279 HydrophobicContact CE1-CZ 3.65Å; Y77-A413 WeakPolarHBondContact O-CB 3.41Å
78L93.4Very high91.6Very high2 Ų242.6 Ų42.61%0.0122%0.216CC..Hα-helixtrans-57.8-41.7176.6-70.6-174000113F74 I75 E80 F279 I282 A413 F414F74-L78 HydrophobicContact CD1-CD1 3.96Å; F74-L78 HydrophobicContact CD1-CG 4.16Å; F74-L78 HydrophobicContact CE1-CD1 3.43Å; F74-L78 VanDerWaalsContact CE1-CD1 3.43Å; F74-L78 HydrophobicContact CE1-CD2 4.33Å; F74-L78 HydrophobicContact CE1-CG 3.85Å; F74-L78 HydrophobicContact CZ-CD1 4.15Å; F74-L78 HydrophobicContact CZ-CD2 4.28Å; F74-L78 HydrophobicContact CZ-CG 4.28Å; F74-L78 WeakPolarHBondContact O-CG 3.41Å; F74-L78 PolarHBondContact O-N 3.29Å; I75-L78 PolarHBondContact O-N 2.95Å; L78-E80 VanDerWaalsContact C-N 3.33Å; L78-F279 HydrophobicContact CD2-CD1 4.03Å; L78-F279 HydrophobicContact CD2-CE1 3.42Å; L78-F279 VanDerWaalsContact CD2-CE1 3.42Å; L78-F279 HydrophobicContact CD2-CZ 3.92Å; L78-I282 HydrophobicContact CD1-CD1 4.27Å; L78-A413 PolarHBondContact O-N 3.18Å; L78-A413 VanDerWaalsContact O-N 3.16Å; L78-F414 HydrophobicContact CB-CE2 4.36Å; L78-F414 HydrophobicContact CD1-CZ 4.46Å; L78-F414 HydrophobicContact CD2-CE1 4.38Å; L78-F414 HydrophobicContact CD2-CE2 4.19Å; L78-F414 HydrophobicContact CD2-CZ 3.74Å
79L92.4Very high90.8Very high4 Ų441.2 Ų41.22%0.02121%0.211CC..Hα-helixtrans-79.2-16.8-178.4-61.9-176000113.4I75 R76 Y77 Q81 F83 V100 N143 V145 L146I75-L79 HydrophobicContact CG2-CD1 3.81Å; I75-L79 HydrophobicContact CG2-CG 4.17Å; I75-L79 WeakPolarHBondContact O-CG 3.48Å; I75-L79 PolarHBondContact O-N 2.76Å; R76-L79 PolarHBondContact O-N 3.3Å; Y77-L79 VanDerWaalsContact C-N 3.3Å; Y77-L79 PolarHBondContact O-N 3.13Å; L79-Q81 HydrophobicContact CB-CB 4.31Å; L79-Q81 PolarHBondContact O-N 3.09Å; L79-Q81 VanDerWaalsContact O-N 3.09Å; L79-F83 HydrophobicContact CD1-CB 4.46Å; L79-F83 HydrophobicContact CD1-CD1 4.28Å; L79-V100 HydrophobicContact CD1-CG1 4.03Å; L79-N143 PolarHBondContact O-ND2 2.87Å; L79-N143 VanDerWaalsContact O-ND2 3.11Å; L79-V145 HydrophobicContact CD2-CB 3.7Å; L79-V145 HydrophobicContact CD2-CG1 3.75Å; L79-V145 HydrophobicContact CD2-CG2 4.3Å; L79-L146 HydrophobicContact CD1-CD1 4.42Å; L79-L146 HydrophobicContact CD2-CD1 4.4Å; L79-L146 HydrophobicContact CD2-CD2 3.92Å; L79-L146 HydrophobicContact CD2-CG 3.88Å
80E90.7Very high89.2Confident129 Ų12947 Ų4760%0.60325%0.248SC*.THydrogen-bonded Turntrans47.128.5-164.4-65.4-175.3156.700113.4R76 Y77 L78 G412 A413R76-E80 WeakPolarHBondContact O-CA 3.37Å; R76-E80 PolarHBondContact O-N 2.87Å; Y77-E80 PolarHBondContact O-N 3.05Å; Y77-E80 VanDerWaalsContact O-N 3.16Å; L78-E80 VanDerWaalsContact C-N 3.33Å; E80-G412 VanDerWaalsContact CD-C 3.43Å; E80-A413 HydrophobicContact CG-CB 4.35Å
81Q90.4Very high87.8Confident60 Ų6053.5 Ų53.528%0.2828%0.275SS..SBendtrans-152144.8-172.1-165.4-174.6-9.400109.6R76 L79 E106 L141 N143R76-Q81 PolarHBondContact O-N 2.87Å; L79-Q81 HydrophobicContact CB-CB 4.31Å; L79-Q81 PolarHBondContact O-N 3.09Å; L79-Q81 VanDerWaalsContact O-N 3.09Å; Q81-E106 PolarHBondContact NE2-OE1 3.23Å; Q81-L141 HydrophobicContact CG-CD1 4.5Å; Q81-N143 PolarHBondContact OE1-ND2 3.49Å
82D93.3Very high86.2Confident82 Ų8257.3 Ų57.344%0.43930%0.302SS..  trans-70.8149168.1-72-10000110.2R76 M86R76-D82 WeakPolarHBondContact CD-OD1 3.47Å; R76-D82 WeakPolarHBondContact CG-OD1 3.17Å; R76-D82 IonicContact CZ-OD1 2.87Å; R76-D82 IonicContact NE-OD1 2.9Å; R76-D82 PolarHBondContact NE-OD1 2.99Å; R76-D82 IonicContact NH1-OD1 2.81Å; R76-D82 IonicContact NH2-OD1 2.8Å; D82-M86 WeakPolarHBondContact CA-SD 3.44Å; D82-M86 HydrophobicContact CB-SD 3.46Å; D82-M86 WeakPolarHBondContact CB-SD 3.38Å
83F94.9Very high84.6Confident7 Ų758.8 Ų58.83%0.03131%0.311CS..  trans-124149.8178.861.5-88.9000112.2T72 I75 L79 G85 M86 I98 V100 A139 L141T72-F83 HydrophobicContact CG2-CE1 4.24Å; T72-F83 HydrophobicContact CG2-CZ 3.81Å; I75-F83 HydrophobicContact CB-CE1 3.76Å; I75-F83 HydrophobicContact CB-CZ 4.25Å; I75-F83 HydrophobicContact CD1-CZ 4.25Å; I75-F83 HydrophobicContact CG2-CD1 3.91Å; I75-F83 HydrophobicContact CG2-CE1 3.53Å; I75-F83 HydrophobicContact CG2-CZ 4.1Å; L79-F83 HydrophobicContact CD1-CB 4.46Å; L79-F83 HydrophobicContact CD1-CD1 4.28Å; F83-G85 PolarHBondContact O-N 3.27Å; F83-M86 HydrophobicContact CD1-CB 4.15Å; F83-M86 HydrophobicContact CD1-SD 4.1Å; F83-M86 HydrophobicContact CD2-CB 3.87Å; F83-M86 HydrophobicContact CE1-CB 3.89Å; F83-M86 HydrophobicContact CE1-SD 4.33Å; F83-M86 HydrophobicContact CE2-CB 3.6Å; F83-M86 HydrophobicContact CG-CB 4.15Å; F83-M86 HydrophobicContact CZ-CB 3.63Å; F83-M86 PolarHBondContact N-SD 2.89Å; F83-M86 VanDerWaalsContact O-CB 3.31Å; F83-M86 WeakPolarHBondContact O-CB 3.44Å; F83-M86 WeakPolarHBondContact O-CG 3.39Å; F83-M86 PolarHBondContact O-N 3.27Å; F83-M86 VanDerWaalsContact O-N 3.17Å; F83-I98 HydrophobicContact CE2-CD1 4.38Å; F83-I98 HydrophobicContact CE2-CG2 4.14Å; F83-V100 HydrophobicContact CB-CG1 4.24Å; F83-V100 HydrophobicContact CD2-CG1 4.41Å; F83-V100 HydrophobicContact CD2-CG2 3.71Å; F83-V100 HydrophobicContact CE2-CG2 3.68Å; F83-V100 HydrophobicContact CG-CG1 4.27Å; F83-V100 HydrophobicContact CG-CG2 4.26Å; F83-V100 HydrophobicContact CZ-CG2 4.2Å; F83-A139 HydrophobicContact CD2-CB 4.19Å; F83-L141 HydrophobicContact CB-CD1 4.02Å; F83-L141 HydrophobicContact CB-CD2 4Å
84P93.9Very high83.2Confident24 Ų2457.9 Ų57.916%0.15631%0.305CS..THydrogen-bonded Turntrans-56.2133.8-177.4-2836.1000113.2M86 E106 I108 A139P84-M86 VanDerWaalsContact C-N 3.25Å; P84-M86 PolarHBondContact O-N 2.87Å; P84-E106 HydrophobicContact CG-CB 4.17Å; P84-I108 HydrophobicContact CB-CD1 4.06Å; P84-I108 HydrophobicContact CB-CG1 3.56Å; P84-A139 HydrophobicContact CB-CB 4.39Å; P84-A139 WeakPolarHBondContact O-CB 3.15Å
85G87.2Confident82.3Confident38 Ų3861.8 Ų61.839%0.39233%0.326SS..THydrogen-bonded Turntrans81.1-1177.800000114.7F83F83-G85 PolarHBondContact O-N 3.27Å
86M88.9Confident81.9Confident35 Ų3562.8 Ų62.817%0.17233%0.333CS..  trans-63.1143.9173.175.6179.6-73.700111.7T72 R76 D82 F83 P84 I88T72-M86 HydrophobicContact CG2-CB 3.94Å; T72-M86 HydrophobicContact CG2-CE 4.3Å; R76-M86 HydrophobicContact CB-CE 4.11Å; R76-M86 HydrophobicContact CG-CE 4.22Å; D82-M86 WeakPolarHBondContact CA-SD 3.44Å; D82-M86 HydrophobicContact CB-SD 3.46Å; D82-M86 WeakPolarHBondContact CB-SD 3.38Å; F83-M86 HydrophobicContact CD1-CB 4.15Å; F83-M86 HydrophobicContact CD1-SD 4.1Å; F83-M86 HydrophobicContact CD2-CB 3.87Å; F83-M86 HydrophobicContact CE1-CB 3.89Å; F83-M86 HydrophobicContact CE1-SD 4.33Å; F83-M86 HydrophobicContact CE2-CB 3.6Å; F83-M86 HydrophobicContact CG-CB 4.15Å; F83-M86 HydrophobicContact CZ-CB 3.63Å; F83-M86 PolarHBondContact N-SD 2.89Å; F83-M86 VanDerWaalsContact O-CB 3.31Å; F83-M86 WeakPolarHBondContact O-CB 3.44Å; F83-M86 WeakPolarHBondContact O-CG 3.39Å; F83-M86 PolarHBondContact O-N 3.27Å; F83-M86 VanDerWaalsContact O-N 3.17Å; P84-M86 VanDerWaalsContact C-N 3.25Å; P84-M86 PolarHBondContact O-N 2.87Å; M86-I88 HydrophobicContact CE-CD1 3.31Å; M86-I88 HydrophobicContact CE-CG1 3.79Å
87R81.1Confident81.9Confident159 Ų15957.6 Ų57.660%0.631%0.313SS*.  trans-137.8121.4171.7-63.2-176.1177-178.8-0.1108.7
88I78.9Confident82.1Confident83 Ų8356.2 Ų56.243%0.42631%0.308SS..  trans-116.2120.4174.8-61.4175.1000107.3T72 M86T72-I88 HydrophobicContact CG2-CD1 4.46Å; T72-I88 HydrophobicContact CG2-CG1 3.84Å; M86-I88 HydrophobicContact CE-CD1 3.31Å; M86-I88 HydrophobicContact CE-CG1 3.79Å
89G70.4Confident82.3Confident26 Ų2656.1 Ų56.127%0.26831%0.308SS..  trans-163.6163.1175.700000111.9E91G89-E91 VanDerWaalsContact C-N 3.26Å; G89-E91 PolarHBondContact O-N 3.27Å
90P59.7Low82.6Confident127 Ų12756 Ų5683%0.82531%0.307SS*.SBendtrans-70.1-23.3-179.627.9-33.7000113.1
91E63.6Low82.9Confident148 Ų14850.6 Ų50.669%0.69228%0.282SS*.SBendtrans-86.1164.6175.7-65-174.8176.900111.8G89 T93G89-E91 VanDerWaalsContact C-N 3.26Å; G89-E91 PolarHBondContact O-N 3.27Å; E91-T93 WeakPolarHBondContact O-CG2 3.24Å; E91-T93 PolarHBondContact O-N 2.94Å; E91-T93 PolarHBondContact O-OG1 3.13Å
92P61.7Low83.2Confident93 Ų9349.7 Ų49.760%0.60428%0.278SS*.SBendtrans-55.391.4172.1-26.236.5000112.4Y67Y67-P92 HydrophobicContact CD1-CB 3.83Å; Y67-P92 HydrophobicContact CD1-CG 4.21Å; Y67-P92 HydrophobicContact CE1-CB 3.5Å; Y67-P92 VanDerWaalsContact CE1-CB 3.5Å; Y67-P92 HydrophobicContact CE1-CG 4.26Å
93T61.5Low83.2Confident43 Ų4346.2 Ų46.226%0.26426%0.261SS..  trans-99.5-41.1-169.336.20000113.3E91E91-T93 WeakPolarHBondContact O-CG2 3.24Å; E91-T93 PolarHBondContact O-N 2.94Å; E91-T93 PolarHBondContact O-OG1 3.13Å
94T64.1Low83.1Confident14 Ų1453.2 Ų53.29%0.08630%0.299CS..  trans-93.4108.4174.2-50.40000110.2T72 S96 I98T72-T94 PolarHBondContact OG1-OG1 3.01Å; T94-S96 WeakPolarHBondContact CG2-O 3.18Å; T94-I98 HydrophobicContact CG2-CD1 4.3Å
95D77.8Confident83Confident82 Ų8259.5 Ų59.544%0.43933%0.328SS..  trans-107.3-0.7177.370.4-15.8000113.3
96S88.6Confident83.5Confident20 Ų2063.5 Ų63.514%0.1434%0.336CS..SBendtrans-126.8150.1-171-61.80000111.6T94 R135T94-S96 WeakPolarHBondContact CG2-O 3.18Å; S96-R135 CarbonylContact C-O 3.29Å; S96-R135 WeakPolarHBondContact CA-O 3.45Å; S96-R135 VanDerWaalsContact CB-O 3.3Å; S96-R135 WeakPolarHBondContact CB-O 3.41Å
97F95.3Very high83.8Confident0 Ų063.2 Ų63.20%034%0.342CS..EExtended strand (participates in β ladder)trans-75.4129.8167.4-74.2-100.3000109.1F132 R135 F136 V137 D153 T154 P155 Y169 F171 V174 L175 F178F97-F132 HydrophobicContact CD2-CD2 4.4Å; F97-F132 AromaticContact CD2-CE2 3.57Å; F97-F132 HydrophobicContact CD2-CE2 3.57Å; F97-F132 HydrophobicContact CD2-CZ 4.4Å; F97-F132 HydrophobicContact CE2-CD2 4.48Å; F97-F132 AromaticContact CE2-CE2 3.82Å; F97-F132 HydrophobicContact CE2-CE2 3.82Å; F97-F132 HydrophobicContact CG-CE2 4.11Å; F97-R135 PolarHBondContact N-O 3.48Å; F97-F136 HydrophobicContact CB-CD2 3.62Å; F97-F136 HydrophobicContact CB-CE2 4.33Å; F97-F136 WeakPolarHBondContact O-CA 3.27Å; F97-V137 PolarHBondContact O-N 2.93Å; F97-D153 WeakPolarHBondContact CA-O 3.32Å; F97-T154 HydrophobicContact CD1-CG2 3.98Å; F97-T154 HydrophobicContact CE1-CG2 3.76Å; F97-P155 VanDerWaalsContact CD2-CD 3.48Å; F97-P155 HydrophobicContact CD2-CG 3.73Å; F97-P155 HydrophobicContact CE2-CG 3.79Å; F97-P155 HydrophobicContact CG-CG 4.36Å; F97-P155 HydrophobicContact CZ-CG 4.46Å; F97-Y169 AromaticContact CE2-CE2 3.85Å; F97-Y169 HydrophobicContact CE2-CE2 3.85Å; F97-Y169 AromaticContact CE2-CZ 4Å; F97-Y169 WeakPolarHBondContact CE2-OH 3.43Å; F97-F171 HydrophobicContact CE1-CE2 4.37Å; F97-F171 AromaticContact CE2-CD2 3.84Å; F97-F171 HydrophobicContact CE2-CD2 3.84Å; F97-F171 AromaticContact CE2-CE2 3.74Å; F97-F171 HydrophobicContact CE2-CE2 3.74Å; F97-F171 AromaticContact CZ-CD2 3.68Å; F97-F171 HydrophobicContact CZ-CD2 3.68Å; F97-F171 AromaticContact CZ-CE2 3.39Å; F97-F171 HydrophobicContact CZ-CE2 3.39Å; F97-F171 HydrophobicContact CZ-CZ 4.26Å; F97-V174 HydrophobicContact CD1-CG1 4.43Å; F97-V174 HydrophobicContact CE1-CG1 3.8Å; F97-V174 HydrophobicContact CE2-CG1 4.05Å; F97-V174 HydrophobicContact CZ-CB 4.3Å; F97-V174 HydrophobicContact CZ-CG1 3.58Å; F97-L175 HydrophobicContact CE1-CD2 3.82Å; F97-L175 HydrophobicContact CZ-CD2 4.3Å; F97-F178 HydrophobicContact CD1-CD2 4.45Å; F97-F178 AromaticContact CD1-CE2 3.86Å; F97-F178 HydrophobicContact CD1-CE2 3.86Å; F97-F178 HydrophobicContact CE1-CD2 4.34Å; F97-F178 HydrophobicContact CE1-CE2 4.12Å
98I96.9Very high84.5Confident5 Ų559.9 Ų59.93%0.02634%0.336CS..EExtended strand (participates in β ladder)trans-121.3110.3-179-50.4179.4000108.9F83 T94 V100 V137 A139 I152 D153F83-I98 HydrophobicContact CE2-CD1 4.38Å; F83-I98 HydrophobicContact CE2-CG2 4.14Å; T94-I98 HydrophobicContact CG2-CD1 4.3Å; I98-V100 HydrophobicContact CG2-CG2 3.91Å; I98-V100 PolarHBondContact O-N 3.2Å; I98-V137 CarbonylContact C-O 3.6Å; I98-V137 WeakPolarHBondContact CA-O 3.43Å; I98-V137 HydrophobicContact CB-CG2 4.21Å; I98-V137 HydrophobicContact CG1-CG2 3.81Å; I98-V137 HydrophobicContact CG2-CG2 4.1Å; I98-A139 HydrophobicContact CG2-CB 3.76Å; I98-I152 WeakPolarHBondContact O-CA 3.31Å; I98-D153 HydrophobicContact CB-CB 4.09Å; I98-D153 PolarHBondContact N-O 3.48Å; I98-D153 PolarHBondContact O-N 3.49Å
99A97.6Very high85.3Confident0 Ų058.2 Ų58.20%033%0.327CS..EExtended strand (participates in β ladder)trans-83.299.1169.400000109.6M101 F122 F136 V137 C138 A139 I152A99-M101 HydrophobicContact CB-CG 4.38Å; A99-F122 HydrophobicContact CB-CE2 3.98Å; A99-F122 HydrophobicContact CB-CZ 3.78Å; A99-F136 HydrophobicContact CB-CE2 4.08Å; A99-F136 HydrophobicContact CB-CZ 4.3Å; A99-V137 PolarHBondContact N-O 2.92Å; A99-C138 HydrophobicContact CB-CB 4.25Å; A99-C138 CarbonylContact O-C 3.2Å; A99-C138 WeakPolarHBondContact O-CA 3.45Å; A99-C138 PolarHBondContact O-SG 2.55Å; A99-A139 PolarHBondContact O-N 3.11Å; A99-I152 HydrophobicContact CB-CD1 3.67Å
100V98Very high86.6Confident0 Ų060.5 Ų60.50%034%0.337CS..EExtended strand (participates in β ladder)trans-83.2112.9176.4-1690000108.8I75 L79 F83 I98 A139 L141 L146 V151I75-V100 HydrophobicContact CD1-CG2 4.49Å; I75-V100 HydrophobicContact CG2-CG2 4.4Å; L79-V100 HydrophobicContact CD1-CG1 4.03Å; F83-V100 HydrophobicContact CB-CG1 4.24Å; F83-V100 HydrophobicContact CD2-CG1 4.41Å; F83-V100 HydrophobicContact CD2-CG2 3.71Å; F83-V100 HydrophobicContact CE2-CG2 3.68Å; F83-V100 HydrophobicContact CG-CG1 4.27Å; F83-V100 HydrophobicContact CG-CG2 4.26Å; F83-V100 HydrophobicContact CZ-CG2 4.2Å; I98-V100 HydrophobicContact CG2-CG2 3.91Å; I98-V100 PolarHBondContact O-N 3.2Å; V100-A139 WeakPolarHBondContact CA-O 3.34Å; V100-A139 HydrophobicContact CG2-CB 4.45Å; V100-L141 HydrophobicContact CG1-CD2 3.84Å; V100-L146 HydrophobicContact CG1-CD1 3.88Å; V100-L146 HydrophobicContact CG1-CD2 4.12Å; V100-V151 PolarHBondContact N-O 3.37Å; V100-V151 PolarHBondContact O-N 2.86Å
101M96.9Very high88.2Confident17 Ų1754.5 Ų54.58%0.08430%0.298CS..EExtended strand (participates in β ladder)trans-135.5160.8-171.9-55.1-170.889.800111.5A99 G103 K120 F122 A139 Q140 L141A99-M101 HydrophobicContact CB-CG 4.38Å; M101-G103 PolarHBondContact O-N 3.26Å; M101-K120 HydrophobicContact CE-CD 4.23Å; M101-K120 HydrophobicContact SD-CD 3.95Å; M101-K120 PolarHBondContact SD-NZ 3.35Å; M101-F122 HydrophobicContact CE-CE2 4.29Å; M101-F122 HydrophobicContact CE-CZ 4.43Å; M101-F122 HydrophobicContact SD-CE2 3.66Å; M101-F122 HydrophobicContact SD-CZ 4.14Å; M101-A139 PolarHBondContact N-O 3.02Å; M101-Q140 WeakPolarHBondContact O-CA 3.46Å; M101-L141 PolarHBondContact O-N 3.45Å
102Q96.3Very high89.6Confident41 Ų4150.8 Ų50.819%0.19228%0.283CS..EExtended strand (participates in β ladder)trans-60.9138170.9-176.765.89.300110.9L141 N143 L146Q102-L141 PolarHBondContact OE1-O 3.28Å; Q102-N143 VanDerWaalsContact OE1-N 3.11Å; Q102-N143 PolarHBondContact OE1-O 3.27Å; Q102-L146 HydrophobicContact CB-CB 4.07Å; Q102-L146 WeakPolarHBondContact CB-O 3.42Å
103G94.3Very high91.2Very high8 Ų848.8 Ų48.88%0.08227%0.274CS..  trans-147.6161.3162.200000111M101 M105 L141 P142M101-G103 PolarHBondContact O-N 3.26Å; G103-M105 VanDerWaalsContact C-N 3.26Å; G103-M105 PolarHBondContact O-N 3.08Å; G103-L141 PolarHBondContact N-O 2.97Å; G103-L141 VanDerWaalsContact N-O 3.09Å; G103-L141 CarbonylContact O-C 3.57Å; G103-P142 VanDerWaalsContact O-CA 3.22Å; G103-P142 WeakPolarHBondContact O-CA 3.45Å
104D93.4Very high92.7Very high155 Ų15546.8 Ų46.883%0.82926%0.262SS*.SBendtrans-73.6-23179.9-56.3-39.6000112.1
105M92.1Very high94.1Very high155 Ų15546.7 Ų46.776%0.76426%0.261SS*.SBendtrans-135151.7178.5-63.5-174.6-65.100110G103 G107G103-M105 VanDerWaalsContact C-N 3.26Å; G103-M105 PolarHBondContact O-N 3.08Å; M105-G107 PolarHBondContact O-N 3.49Å
106E95.7Very high94.8Very high123 Ų12347.7 Ų47.758%0.57527%0.27SS*.  trans-66.5131.2172.5-68-171.517300111.1Q81 P84 Q140 L141Q81-E106 PolarHBondContact NE2-OE1 3.23Å; P84-E106 HydrophobicContact CG-CB 4.17Å; E106-Q140 CarbonylContact C-O 3.57Å; E106-Q140 VanDerWaalsContact CA-O 3.24Å; E106-Q140 WeakPolarHBondContact CA-O 3.24Å; E106-L141 HydrophobicContact CG-CB 3.84Å
107G95.9Very high94.9Very high29 Ų2949 Ų4930%0.29928%0.276SS..EExtended strand (participates in β ladder)trans-175.3168.8-179.600000114.4M105 Q140M105-G107 PolarHBondContact O-N 3.49Å; G107-Q140 PolarHBondContact N-O 3.38Å; G107-Q140 PolarHBondContact O-N 3.35Å
108I96.4Very high94.6Very high89 Ų8953.2 Ų53.246%0.45630%0.303SS..EExtended strand (participates in β ladder)trans-122129175.5-59.4175.7000108.6P84 V137 C138P84-I108 HydrophobicContact CB-CD1 4.06Å; P84-I108 HydrophobicContact CB-CG1 3.56Å; I108-V137 HydrophobicContact CG2-CB 3.95Å; I108-V137 HydrophobicContact CG2-CG1 4.21Å; I108-C138 CarbonylContact C-O 3.53Å; I108-C138 WeakPolarHBondContact CA-O 3.35Å
109I95.9Very high94.2Very high47 Ų4761.6 Ų61.624%0.24134%0.339CS..EExtended strand (participates in β ladder)trans-106.4117.4172.1-54179.2000108.3A113 L114 V137 C138 Q140I109-A113 HydrophobicContact CG2-CB 3.97Å; I109-L114 HydrophobicContact CG2-CB 4.18Å; I109-L114 HydrophobicContact CG2-CD1 4.49Å; I109-V137 WeakPolarHBondContact O-CA 3.34Å; I109-C138 HydrophobicContact CB-CB 4.29Å; I109-C138 PolarHBondContact N-O 2.82Å; I109-C138 PolarHBondContact O-N 2.99Å; I109-Q140 VanDerWaalsContact CD1-NE2 3.33Å
110P96.3Very high93.8Very high75 Ų7563 Ų6349%0.48735%0.346SS..EExtended strand (participates in β ladder)trans-62.9148.8175.7-22.733.6000112.6N112 A113 L114P110-N112 VanDerWaalsContact C-N 3.29Å; P110-N112 PolarHBondContact O-N 2.96Å; P110-A113 WeakPolarHBondContact O-CB 3.35Å; P110-A113 PolarHBondContact O-N 3.08Å; P110-L114 PolarHBondContact O-N 3Å
111G94.4Very high93.5Very high1 Ų163.5 Ų63.51%0.0135%0.349CS..Hα-helixtrans-54.4-40.7-175.800000114A113 L114 V115 L133 F136G111-A113 VanDerWaalsContact C-N 3.27Å; G111-A113 PolarHBondContact O-N 2.94Å; G111-L114 WeakPolarHBondContact O-CB 3.49Å; G111-L114 PolarHBondContact O-N 3.29Å; G111-L114 VanDerWaalsContact O-N 3.08Å; G111-V115 WeakPolarHBondContact O-CG1 3.48Å; G111-V115 WeakPolarHBondContact O-CG2 3.47Å; G111-V115 PolarHBondContact O-N 3.09Å; G111-L133 WeakPolarHBondContact CA-O 3.16Å; G111-F136 WeakPolarHBondContact CA-O 3.37Å; G111-F136 PolarHBondContact N-O 2.78Å
112N93.6Very high93.4Very high69 Ų6962.7 Ų62.737%0.36935%0.345SS..Hα-helixtrans-59.8-34.8176.9-66.3-39.7000113.1P110 L133 N134P110-N112 VanDerWaalsContact C-N 3.29Å; P110-N112 PolarHBondContact O-N 2.96Å; N112-L133 WeakPolarHBondContact OD1-CB 3.22Å; N112-L133 VanDerWaalsContact OD1-CD1 3.29Å; N112-L133 WeakPolarHBondContact OD1-CD1 3.48Å; N112-N134 PolarHBondContact ND2-OD1 3.19Å
113A94.4Very high93.2Very high51 Ų5165.7 Ų65.742%0.42135%0.354SS..Hα-helixtrans-81.7-30.9175.200000111.7I109 P110 G111 V116I109-A113 HydrophobicContact CG2-CB 3.97Å; P110-A113 WeakPolarHBondContact O-CB 3.35Å; P110-A113 PolarHBondContact O-N 3.08Å; G111-A113 VanDerWaalsContact C-N 3.27Å; G111-A113 PolarHBondContact O-N 2.94Å; A113-V116 WeakPolarHBondContact O-CG2 3.22Å; A113-V116 PolarHBondContact O-N 3.26Å
114L93.5Very high93.1Very high1 Ų168.3 Ų68.31%0.00536%0.363CS..Hα-helixtrans-69.9-37.7-178.8-173.561.1000112.7I109 P110 G111 V116 D117 K120 F122 F136 C138I109-L114 HydrophobicContact CG2-CB 4.18Å; I109-L114 HydrophobicContact CG2-CD1 4.49Å; P110-L114 PolarHBondContact O-N 3Å; G111-L114 WeakPolarHBondContact O-CB 3.49Å; G111-L114 PolarHBondContact O-N 3.29Å; G111-L114 VanDerWaalsContact O-N 3.08Å; L114-V116 PolarHBondContact O-N 3.18Å; L114-D117 PolarHBondContact O-N 3.41Å; L114-K120 HydrophobicContact CD1-CB 4.18Å; L114-K120 HydrophobicContact CD1-CD 4.48Å; L114-K120 HydrophobicContact CD1-CG 3.96Å; L114-F122 HydrophobicContact CD1-CD2 3.85Å; L114-F122 HydrophobicContact CD1-CE2 4.39Å; L114-F122 HydrophobicContact CD2-CD2 3.64Å; L114-F122 HydrophobicContact CD2-CE2 4.15Å; L114-F122 HydrophobicContact CD2-CG 4.3Å; L114-F122 HydrophobicContact CG-CB 4.25Å; L114-F122 HydrophobicContact CG-CD2 3.65Å; L114-F122 HydrophobicContact CG-CE2 4.47Å; L114-F122 HydrophobicContact CG-CG 4.35Å; L114-F136 HydrophobicContact CD2-CD1 4.07Å; L114-F136 HydrophobicContact CD2-CE1 3.35Å; L114-F136 HydrophobicContact CD2-CE2 4.43Å; L114-F136 HydrophobicContact CD2-CZ 3.57Å; L114-F136 HydrophobicContact CG-CE1 4.23Å; L114-C138 HydrophobicContact CD1-CB 3.8Å; L114-C138 HydrophobicContact CD2-CB 3.48Å; L114-C138 VanDerWaalsContact CD2-CB 3.48Å; L114-C138 HydrophobicContact CG-CB 4.26Å
115V93.9Very high93Very high12 Ų1260.9 Ų60.97%0.07332%0.324CS..THydrogen-bonded Turntrans-76.5-2.7-179.3-59.60000114.2G111 F122 R123 L125 N126 L133G111-V115 WeakPolarHBondContact O-CG1 3.48Å; G111-V115 WeakPolarHBondContact O-CG2 3.47Å; G111-V115 PolarHBondContact O-N 3.09Å; V115-F122 WeakPolarHBondContact CG1-O 3.45Å; V115-R123 WeakPolarHBondContact O-CA 3.43Å; V115-R123 VanDerWaalsContact O-CG 3.29Å; V115-R123 WeakPolarHBondContact O-CG 3.39Å; V115-L125 HydrophobicContact CG1-CB 4.1Å; V115-N126 HydrophobicContact CG2-CB 4.35Å; V115-L133 HydrophobicContact CG1-CD2 3.53Å; V115-L133 HydrophobicContact CG2-CD1 4.15Å; V115-L133 HydrophobicContact CG2-CD2 4.28Å
116V92.4Very high92.9Very high103 Ų10358.1 Ų58.162%0.62431%0.312SS*.THydrogen-bonded Turntrans-99.7-10.3172.2-60.80000113A113 L114 P118A113-V116 WeakPolarHBondContact O-CG2 3.22Å; A113-V116 PolarHBondContact O-N 3.26Å; L114-V116 PolarHBondContact O-N 3.18Å; V116-P118 WeakPolarHBondContact O-CD 3.5Å
117D90.4Very high92.7Very high49 Ų4956.6 Ų56.626%0.26232%0.32SS..  trans-78.6114.6179.1-173.6-11.1000111.1L114 K119 K120 R123L114-D117 PolarHBondContact O-N 3.41Å; D117-K119 PolarHBondContact O-N 3.01Å; D117-K119 WeakPolarHBondContact OD1-CB 3.09Å; D117-K119 PolarHBondContact OD1-N 2.75Å; D117-K120 HydrophobicContact CB-CB 4.25Å; D117-K120 HydrophobicContact CB-CG 4.02Å; D117-K120 PolarHBondContact O-N 3.31Å; D117-K120 WeakPolarHBondContact OD2-CG 3.45Å; D117-R123 WeakPolarHBondContact O-CG 3.48Å
118P88.2Confident92.4Very high87 Ų8757.5 Ų57.557%0.56532%0.316SS*.THydrogen-bonded Turntrans-69.3-14.417930.8-36.5000114V116 K120V116-P118 WeakPolarHBondContact O-CD 3.5Å; P118-K120 VanDerWaalsContact C-N 3.34Å
119K87.9Confident92.2Very high181 Ų18154.5 Ų54.579%0.78731%0.308SS*.THydrogen-bonded Turntrans-86.1-9.4177.8-60.3-178179.2179.70112.7D117D117-K119 PolarHBondContact O-N 3.01Å; D117-K119 WeakPolarHBondContact OD1-CB 3.09Å; D117-K119 PolarHBondContact OD1-N 2.75Å
120K90.1Very high92Very high31 Ų3157.4 Ų57.414%0.13532%0.324CS..SBendtrans-108.7138.8-177.6-62.5-70.3-170.7171.90110M101 L114 D117 P118 F122M101-K120 HydrophobicContact CE-CD 4.23Å; M101-K120 HydrophobicContact SD-CD 3.95Å; M101-K120 PolarHBondContact SD-NZ 3.35Å; L114-K120 HydrophobicContact CD1-CB 4.18Å; L114-K120 HydrophobicContact CD1-CD 4.48Å; L114-K120 HydrophobicContact CD1-CG 3.96Å; D117-K120 HydrophobicContact CB-CB 4.25Å; D117-K120 HydrophobicContact CB-CG 4.02Å; D117-K120 PolarHBondContact O-N 3.31Å; D117-K120 WeakPolarHBondContact OD2-CG 3.45Å; P118-K120 VanDerWaalsContact C-N 3.34Å; K120-F122 HydrophobicContact CB-CD2 3.95Å; K120-F122 PolarHBondContact O-N 2.83Å
121P91.2Very high91.7Very high10 Ų1056 Ų567%0.06532%0.318CS..THydrogen-bonded Turntrans-77.728.3-174.534.7-38000112.9A53 N57 M60 W177A53-P121 HydrophobicContact CB-CB 4.29Å; N57-P121 HydrophobicContact CB-CB 4.38Å; N57-P121 HydrophobicContact CB-CG 4.07Å; M60-P121 HydrophobicContact SD-CG 4.32Å; P121-W177 VanDerWaalsContact O-CH2 3.25Å; P121-W177 WeakPolarHBondContact O-CH2 3.29Å
122F94.4Very high91.7Very high0 Ų055.9 Ų55.90%032%0.317CS..THydrogen-bonded Turntrans-113.1-4.2-168.5-59.7-48.8000114.3M60 A99 M101 L114 V115 K120 K124 L125 F136 I152 W177 F178M60-F122 HydrophobicContact SD-CE1 4.37Å; M60-F122 HydrophobicContact SD-CZ 4.45Å; A99-F122 HydrophobicContact CB-CE2 3.98Å; A99-F122 HydrophobicContact CB-CZ 3.78Å; M101-F122 HydrophobicContact CE-CE2 4.29Å; M101-F122 HydrophobicContact CE-CZ 4.43Å; M101-F122 HydrophobicContact SD-CE2 3.66Å; M101-F122 HydrophobicContact SD-CZ 4.14Å; L114-F122 HydrophobicContact CD1-CD2 3.85Å; L114-F122 HydrophobicContact CD1-CE2 4.39Å; L114-F122 HydrophobicContact CD2-CD2 3.64Å; L114-F122 HydrophobicContact CD2-CE2 4.15Å; L114-F122 HydrophobicContact CD2-CG 4.3Å; L114-F122 HydrophobicContact CG-CB 4.25Å; L114-F122 HydrophobicContact CG-CD2 3.65Å; L114-F122 HydrophobicContact CG-CE2 4.47Å; L114-F122 HydrophobicContact CG-CG 4.35Å; V115-F122 WeakPolarHBondContact CG1-O 3.45Å; K120-F122 HydrophobicContact CB-CD2 3.95Å; K120-F122 PolarHBondContact O-N 2.83Å; F122-K124 PolarHBondContact O-N 3.12Å; F122-K124 VanDerWaalsContact O-N 3.11Å; F122-L125 HydrophobicContact CB-CD1 4.04Å; F122-L125 HydrophobicContact CD1-CD1 3.93Å; F122-L125 HydrophobicContact CG-CD1 4.32Å; F122-L125 VanDerWaalsContact O-CB 3.22Å; F122-L125 WeakPolarHBondContact O-CB 3.16Å; F122-L125 PolarHBondContact O-N 3.44Å; F122-F136 HydrophobicContact CB-CE1 4.03Å; F122-F136 HydrophobicContact CB-CZ 4.33Å; F122-F136 HydrophobicContact CD1-CE1 4.37Å; F122-F136 AromaticContact CD1-CZ 3.84Å; F122-F136 HydrophobicContact CD1-CZ 3.84Å; F122-F136 HydrophobicContact CD2-CE1 4.44Å; F122-F136 HydrophobicContact CD2-CZ 4.12Å; F122-F136 HydrophobicContact CE1-CZ 4.18Å; F122-F136 HydrophobicContact CE2-CZ 4.4Å; F122-F136 HydrophobicContact CG-CE1 4.03Å; F122-F136 AromaticContact CG-CZ 3.82Å; F122-F136 HydrophobicContact CG-CZ 3.82Å; F122-F136 HydrophobicContact CZ-CZ 4.44Å; F122-I152 HydrophobicContact CE1-CD1 4.46Å; F122-I152 HydrophobicContact CZ-CD1 4.27Å; F122-W177 HydrophobicContact CD1-CH2 4.17Å; F122-W177 HydrophobicContact CD1-CZ3 4.4Å; F122-F178 HydrophobicContact CD1-CE1 4.44Å; F122-F178 HydrophobicContact CE1-CE1 4.01Å
123R92.5Very high91.7Very high104 Ų10452.7 Ų52.739%0.39230%0.3SS..G310 helixtrans-54.9-37.2-173.9-63.9-171.753.2-157.511.2114E51 V115 D117 L125 N126E51-R123 IonicContact OE1-NH1 3.01Å; E51-R123 WeakPolarHBondContact OE2-CD 3.37Å; E51-R123 IonicContact OE2-CZ 2.67Å; E51-R123 IonicContact OE2-NE 2.77Å; E51-R123 IonicContact OE2-NH1 2.56Å; E51-R123 PolarHBondContact OE2-NH1 3.39Å; V115-R123 WeakPolarHBondContact O-CA 3.43Å; V115-R123 VanDerWaalsContact O-CG 3.29Å; V115-R123 WeakPolarHBondContact O-CG 3.39Å; D117-R123 WeakPolarHBondContact O-CG 3.48Å; R123-L125 PolarHBondContact O-N 3.02Å; R123-N126 WeakPolarHBondContact O-CB 3.47Å; R123-N126 PolarHBondContact O-N 3.1Å
124K91.3Very high91.6Very high62 Ų6255.6 Ų55.627%0.2731%0.308SS..G310 helixtrans-70-13.9179.9-59-54.3-164-153.90113.9P48 A49 E51 F122 N126 A127 W177P48-K124 HydrophobicContact CB-CB 4.22Å; P48-K124 HydrophobicContact CB-CD 3.84Å; P48-K124 HydrophobicContact CB-CG 3.81Å; P48-K124 HydrophobicContact CG-CB 4.14Å; P48-K124 HydrophobicContact CG-CG 4.29Å; A49-K124 WeakPolarHBondContact O-CE 3.5Å; E51-K124 WeakPolarHBondContact OE1-CE 3.46Å; E51-K124 IonicContact OE1-NZ 3.19Å; E51-K124 PolarHBondContact OE1-NZ 3.31Å; F122-K124 PolarHBondContact O-N 3.12Å; F122-K124 VanDerWaalsContact O-N 3.11Å; K124-N126 PolarHBondContact O-N 3.24Å; K124-A127 WeakPolarHBondContact O-CB 3.35Å; K124-A127 PolarHBondContact O-N 3.17Å; K124-W177 HydrophobicContact CB-CZ2 4.16Å
125L92.3Very high91.5Very high0 Ų059 Ų590%032%0.321CS..G310 helixtrans-66.3-15.1173.7-70.3174.6000113V115 F122 R123 A127 F128 F132 F136 W177 F178V115-L125 HydrophobicContact CG1-CB 4.1Å; F122-L125 HydrophobicContact CB-CD1 4.04Å; F122-L125 HydrophobicContact CD1-CD1 3.93Å; F122-L125 HydrophobicContact CG-CD1 4.32Å; F122-L125 VanDerWaalsContact O-CB 3.22Å; F122-L125 WeakPolarHBondContact O-CB 3.16Å; F122-L125 PolarHBondContact O-N 3.44Å; R123-L125 PolarHBondContact O-N 3.02Å; L125-A127 PolarHBondContact O-N 3.16Å; L125-A127 VanDerWaalsContact O-N 3.08Å; L125-F128 HydrophobicContact CD2-CD2 3.71Å; L125-F128 HydrophobicContact CD2-CE2 3.68Å; L125-F128 PolarHBondContact O-N 3.44Å; L125-F132 HydrophobicContact CB-CE1 3.93Å; L125-F132 HydrophobicContact CD1-CE1 4.07Å; L125-F132 HydrophobicContact CD1-CZ 4.35Å; L125-F132 HydrophobicContact CD2-CE1 3.99Å; L125-F132 HydrophobicContact CD2-CZ 4.27Å; L125-F132 HydrophobicContact CG-CE1 4.23Å; L125-F136 HydrophobicContact CD1-CD1 3.96Å; L125-F136 HydrophobicContact CD1-CE1 3.36Å; L125-F136 HydrophobicContact CD1-CE2 4.38Å; L125-F136 HydrophobicContact CD1-CZ 3.61Å; L125-W177 HydrophobicContact CD1-CE3 4.44Å; L125-W177 HydrophobicContact CD1-CH2 4.02Å; L125-W177 HydrophobicContact CD1-CZ3 3.86Å; L125-W177 HydrophobicContact CD2-CD2 3.55Å; L125-W177 HydrophobicContact CD2-CE3 3.38Å; L125-W177 HydrophobicContact CD2-CG 4.24Å; L125-W177 HydrophobicContact CD2-CH2 3.99Å; L125-W177 HydrophobicContact CD2-CZ2 4.13Å; L125-W177 HydrophobicContact CD2-CZ3 3.62Å; L125-W177 HydrophobicContact CG-CD2 4.29Å; L125-W177 HydrophobicContact CG-CE3 4.04Å; L125-W177 HydrophobicContact CG-CH2 3.7Å; L125-W177 HydrophobicContact CG-CZ2 3.94Å; L125-W177 HydrophobicContact CG-CZ3 3.75Å; L125-F178 HydrophobicContact CD1-CZ 4.02Å
126N90.2Very high91.6Very high96 Ų9658.4 Ų58.451%0.51332%0.318SS..G310 helixtrans-56.1-25173.2-170.441.8000112.8V115 R123 K124 F128 G129V115-N126 HydrophobicContact CG2-CB 4.35Å; R123-N126 WeakPolarHBondContact O-CB 3.47Å; R123-N126 PolarHBondContact O-N 3.1Å; K124-N126 PolarHBondContact O-N 3.24Å; N126-F128 PolarHBondContact O-N 3.31Å; N126-G129 PolarHBondContact O-N 3.33Å; N126-G129 VanDerWaalsContact O-N 3.09Å
127A90.4Very high91.8Very high91 Ų9155 Ų5575%0.75230%0.297SS*.G310 helixtrans-63.3-23.4176.700000113.8K124 L125 G129K124-A127 WeakPolarHBondContact O-CB 3.35Å; K124-A127 PolarHBondContact O-N 3.17Å; L125-A127 PolarHBondContact O-N 3.16Å; L125-A127 VanDerWaalsContact O-N 3.08Å; A127-G129 VanDerWaalsContact C-N 3.25Å; A127-G129 PolarHBondContact O-N 3.4Å
128F91.5Very high92.1Very high48 Ų4852.7 Ų52.721%0.21129%0.285CS..G310 helixtrans-81.6-4.2176.7-64.5-72000113.4L125 N126 F132 A173 V174 W177L125-F128 HydrophobicContact CD2-CD2 3.71Å; L125-F128 HydrophobicContact CD2-CE2 3.68Å; L125-F128 PolarHBondContact O-N 3.44Å; N126-F128 PolarHBondContact O-N 3.31Å; F128-F132 HydrophobicContact CB-CB 3.72Å; F128-F132 HydrophobicContact CB-CD1 3.76Å; F128-F132 HydrophobicContact CB-CG 3.8Å; F128-F132 HydrophobicContact CD2-CD1 4.5Å; F128-F132 HydrophobicContact CG-CD1 4.49Å; F128-A173 HydrophobicContact CE1-CB 3.87Å; F128-A173 HydrophobicContact CZ-CB 4.47Å; F128-V174 HydrophobicContact CB-CG2 4.41Å; F128-V174 HydrophobicContact CD1-CG2 3.6Å; F128-V174 HydrophobicContact CD2-CG2 3.92Å; F128-V174 HydrophobicContact CE1-CG2 3.7Å; F128-V174 HydrophobicContact CE2-CG2 4.03Å; F128-V174 HydrophobicContact CG-CG2 3.71Å; F128-V174 HydrophobicContact CZ-CB 4.46Å; F128-V174 HydrophobicContact CZ-CG2 3.92Å; F128-W177 HydrophobicContact CE2-CB 4.06Å; F128-W177 HydrophobicContact CE2-CG 4.03Å; F128-W177 HydrophobicContact CZ-CB 4Å; F128-W177 HydrophobicContact CZ-CG 4.39Å
129G91.1Very high92.6Very high27 Ų2748.5 Ų48.528%0.27826%0.258SS..Hα-helixtrans74.6176.217200000115.2N126 A127 A131 F132 L133N126-G129 PolarHBondContact O-N 3.33Å; N126-G129 VanDerWaalsContact O-N 3.09Å; A127-G129 VanDerWaalsContact C-N 3.25Å; A127-G129 PolarHBondContact O-N 3.4Å; G129-A131 VanDerWaalsContact C-N 3.28Å; G129-A131 PolarHBondContact O-N 3.42Å; G129-F132 PolarHBondContact O-N 2.93Å; G129-F132 VanDerWaalsContact O-N 3.16Å; G129-L133 WeakPolarHBondContact O-CG 3.27Å; G129-L133 PolarHBondContact O-N 3.3Å; G129-L133 VanDerWaalsContact O-N 3.1Å
130N91.4Very high93Very high108 Ų10841.6 Ų41.658%0.57823%0.228SC*.Hα-helixtrans-62-30.8-170.7-72.6-29.2000114.1F132 L133 N134N130-F132 VanDerWaalsContact C-N 3.3Å; N130-F132 PolarHBondContact O-N 2.83Å; N130-L133 PolarHBondContact O-N 3.45Å; N130-N134 WeakPolarHBondContact O-CB 3.47Å; N130-N134 PolarHBondContact O-N 3.26Å; N130-N134 PolarHBondContact O-ND2 3.4Å
131A91.1Very high93.3Very high44 Ų4440.1 Ų40.136%0.36422%0.222SC..Hα-helixtrans-61.1-40.517800000111.9G129 G168G129-A131 VanDerWaalsContact C-N 3.28Å; G129-A131 PolarHBondContact O-N 3.42Å; A131-G168 WeakPolarHBondContact CB-O 3.4Å
132F93.7Very high93.6Very high0 Ų042.5 Ų42.50%024%0.237CC..Hα-helixtrans-73.2-48.5173.2171.8-103.1000111.8F97 L125 F128 G129 N130 N134 R135 F136 Y169 V174F97-F132 HydrophobicContact CD2-CD2 4.4Å; F97-F132 AromaticContact CD2-CE2 3.57Å; F97-F132 HydrophobicContact CD2-CE2 3.57Å; F97-F132 HydrophobicContact CD2-CZ 4.4Å; F97-F132 HydrophobicContact CE2-CD2 4.48Å; F97-F132 AromaticContact CE2-CE2 3.82Å; F97-F132 HydrophobicContact CE2-CE2 3.82Å; F97-F132 HydrophobicContact CG-CE2 4.11Å; L125-F132 HydrophobicContact CB-CE1 3.93Å; L125-F132 HydrophobicContact CD1-CE1 4.07Å; L125-F132 HydrophobicContact CD1-CZ 4.35Å; L125-F132 HydrophobicContact CD2-CE1 3.99Å; L125-F132 HydrophobicContact CD2-CZ 4.27Å; L125-F132 HydrophobicContact CG-CE1 4.23Å; F128-F132 HydrophobicContact CB-CB 3.72Å; F128-F132 HydrophobicContact CB-CD1 3.76Å; F128-F132 HydrophobicContact CB-CG 3.8Å; F128-F132 HydrophobicContact CD2-CD1 4.5Å; F128-F132 HydrophobicContact CG-CD1 4.49Å; G129-F132 PolarHBondContact O-N 2.93Å; G129-F132 VanDerWaalsContact O-N 3.16Å; N130-F132 VanDerWaalsContact C-N 3.3Å; N130-F132 PolarHBondContact O-N 2.83Å; F132-N134 PolarHBondContact O-N 3.22Å; F132-R135 CarbonylContact O-C 3.46Å; F132-R135 VanDerWaalsContact O-C 3.25Å; F132-R135 WeakPolarHBondContact O-CA 3.3Å; F132-R135 PolarHBondContact O-N 3.47Å; F132-F136 HydrophobicContact CE1-CB 3.89Å; F132-F136 HydrophobicContact CE1-CD1 4.13Å; F132-F136 HydrophobicContact CE1-CG 4.03Å; F132-F136 HydrophobicContact CE2-CB 4.41Å; F132-F136 HydrophobicContact CZ-CB 3.85Å; F132-F136 HydrophobicContact CZ-CD1 4.42Å; F132-F136 HydrophobicContact CZ-CD2 4.28Å; F132-F136 AromaticContact CZ-CG 3.95Å; F132-F136 HydrophobicContact CZ-CG 3.95Å; F132-F136 PolarHBondContact O-N 3.26Å; F132-Y169 HydrophobicContact CB-CD1 4.16Å; F132-Y169 HydrophobicContact CB-CD2 4.36Å; F132-Y169 HydrophobicContact CB-CG 3.88Å; F132-Y169 HydrophobicContact CD2-CD1 4.42Å; F132-Y169 AromaticContact CD2-CD2 3.78Å; F132-Y169 HydrophobicContact CD2-CD2 3.78Å; F132-Y169 HydrophobicContact CD2-CE1 4.48Å; F132-Y169 AromaticContact CD2-CE2 3.84Å; F132-Y169 HydrophobicContact CD2-CE2 3.84Å; F132-Y169 HydrophobicContact CD2-CG 4.1Å; F132-Y169 HydrophobicContact CE2-CE2 4.44Å; F132-Y169 HydrophobicContact CG-CD2 4.49Å; F132-Y169 HydrophobicContact CG-CG 4.47Å; F132-V174 HydrophobicContact CD2-CG1 4.34Å; F132-V174 HydrophobicContact CD2-CG2 3.85Å; F132-V174 HydrophobicContact CE2-CB 4.35Å; F132-V174 HydrophobicContact CE2-CG1 3.54Å; F132-V174 HydrophobicContact CE2-CG2 3.88Å; F132-V174 HydrophobicContact CG-CG2 4.39Å; F132-V174 HydrophobicContact CZ-CG1 3.83Å; F132-V174 HydrophobicContact CZ-CG2 4.43Å
133L93.9Very high93.7Very high2 Ų242.8 Ų42.81%0.0124%0.239CC..Hα-helixtrans-62.5-29.1-174.5-63.7178.3000113.6G111 N112 V115 G129 N130 R135 F136G111-L133 WeakPolarHBondContact CA-O 3.16Å; N112-L133 WeakPolarHBondContact OD1-CB 3.22Å; N112-L133 VanDerWaalsContact OD1-CD1 3.29Å; N112-L133 WeakPolarHBondContact OD1-CD1 3.48Å; V115-L133 HydrophobicContact CG1-CD2 3.53Å; V115-L133 HydrophobicContact CG2-CD1 4.15Å; V115-L133 HydrophobicContact CG2-CD2 4.28Å; G129-L133 WeakPolarHBondContact O-CG 3.27Å; G129-L133 PolarHBondContact O-N 3.3Å; G129-L133 VanDerWaalsContact O-N 3.1Å; N130-L133 PolarHBondContact O-N 3.45Å; L133-R135 PolarHBondContact O-N 3.02Å; L133-F136 PolarHBondContact O-N 3.08Å
134N92Very high93.7Very high111 Ų11140.7 Ų40.759%0.59424%0.239SC*.THydrogen-bonded Turntrans-70.5-17.3172.7-71.3-16.7000113.2N112 N130 F132N112-N134 PolarHBondContact ND2-OD1 3.19Å; N130-N134 WeakPolarHBondContact O-CB 3.47Å; N130-N134 PolarHBondContact O-N 3.26Å; N130-N134 PolarHBondContact O-ND2 3.4Å; F132-N134 PolarHBondContact O-N 3.22Å
135R92.5Very high93.8Very high72 Ų7237.7 Ų37.727%0.27223%0.226SC..THydrogen-bonded Turntrans-113.824.5176.8-60-174.5-170.3-168.410.8111.7S96 F97 F132 L133 S166S96-R135 CarbonylContact C-O 3.29Å; S96-R135 WeakPolarHBondContact CA-O 3.45Å; S96-R135 VanDerWaalsContact CB-O 3.3Å; S96-R135 WeakPolarHBondContact CB-O 3.41Å; F97-R135 PolarHBondContact N-O 3.48Å; F132-R135 CarbonylContact O-C 3.46Å; F132-R135 VanDerWaalsContact O-C 3.25Å; F132-R135 WeakPolarHBondContact O-CA 3.3Å; F132-R135 PolarHBondContact O-N 3.47Å; L133-R135 PolarHBondContact O-N 3.02Å; R135-S166 PolarHBondContact NH2-O 2.91Å; R135-S166 VanDerWaalsContact NH2-O 3.14Å
136F95.9Very high94Very high0 Ų037.7 Ų37.70%023%0.226CC..EExtended strand (participates in β ladder)trans-127.3129.4172.9179.3-131.7000108.4F97 A99 G111 L114 F122 L125 F132 L133 F178F97-F136 HydrophobicContact CB-CD2 3.62Å; F97-F136 HydrophobicContact CB-CE2 4.33Å; F97-F136 WeakPolarHBondContact O-CA 3.27Å; A99-F136 HydrophobicContact CB-CE2 4.08Å; A99-F136 HydrophobicContact CB-CZ 4.3Å; G111-F136 WeakPolarHBondContact CA-O 3.37Å; G111-F136 PolarHBondContact N-O 2.78Å; L114-F136 HydrophobicContact CD2-CD1 4.07Å; L114-F136 HydrophobicContact CD2-CE1 3.35Å; L114-F136 HydrophobicContact CD2-CE2 4.43Å; L114-F136 HydrophobicContact CD2-CZ 3.57Å; L114-F136 HydrophobicContact CG-CE1 4.23Å; F122-F136 HydrophobicContact CB-CE1 4.03Å; F122-F136 HydrophobicContact CB-CZ 4.33Å; F122-F136 HydrophobicContact CD1-CE1 4.37Å; F122-F136 AromaticContact CD1-CZ 3.84Å; F122-F136 HydrophobicContact CD1-CZ 3.84Å; F122-F136 HydrophobicContact CD2-CE1 4.44Å; F122-F136 HydrophobicContact CD2-CZ 4.12Å; F122-F136 HydrophobicContact CE1-CZ 4.18Å; F122-F136 HydrophobicContact CE2-CZ 4.4Å; F122-F136 HydrophobicContact CG-CE1 4.03Å; F122-F136 AromaticContact CG-CZ 3.82Å; F122-F136 HydrophobicContact CG-CZ 3.82Å; F122-F136 HydrophobicContact CZ-CZ 4.44Å; L125-F136 HydrophobicContact CD1-CD1 3.96Å; L125-F136 HydrophobicContact CD1-CE1 3.36Å; L125-F136 HydrophobicContact CD1-CE2 4.38Å; L125-F136 HydrophobicContact CD1-CZ 3.61Å; F132-F136 HydrophobicContact CE1-CB 3.89Å; F132-F136 HydrophobicContact CE1-CD1 4.13Å; F132-F136 HydrophobicContact CE1-CG 4.03Å; F132-F136 HydrophobicContact CE2-CB 4.41Å; F132-F136 HydrophobicContact CZ-CB 3.85Å; F132-F136 HydrophobicContact CZ-CD1 4.42Å; F132-F136 HydrophobicContact CZ-CD2 4.28Å; F132-F136 AromaticContact CZ-CG 3.95Å; F132-F136 HydrophobicContact CZ-CG 3.95Å; F132-F136 PolarHBondContact O-N 3.26Å; L133-F136 PolarHBondContact O-N 3.08Å; F136-F178 HydrophobicContact CE2-CZ 4.05Å; F136-F178 HydrophobicContact CZ-CZ 4.35Å
137V96.2Very high94.1Very high32 Ų3238.7 Ų38.719%0.19423%0.227CC..EExtended strand (participates in β ladder)trans-139153.4179.6-630000109.9F97 I98 A99 I108 I109F97-V137 PolarHBondContact O-N 2.93Å; I98-V137 CarbonylContact C-O 3.6Å; I98-V137 WeakPolarHBondContact CA-O 3.43Å; I98-V137 HydrophobicContact CB-CG2 4.21Å; I98-V137 HydrophobicContact CG1-CG2 3.81Å; I98-V137 HydrophobicContact CG2-CG2 4.1Å; A99-V137 PolarHBondContact N-O 2.92Å; I108-V137 HydrophobicContact CG2-CB 3.95Å; I108-V137 HydrophobicContact CG2-CG1 4.21Å; I109-V137 WeakPolarHBondContact O-CA 3.34Å
138C97.2Very high94.2Very high0 Ų035.7 Ų35.70%020%0.2CC..EExtended strand (participates in β ladder)trans-108.8118.5166.5173.70000109.1A99 I108 I109 L114 Q140A99-C138 HydrophobicContact CB-CB 4.25Å; A99-C138 CarbonylContact O-C 3.2Å; A99-C138 WeakPolarHBondContact O-CA 3.45Å; A99-C138 PolarHBondContact O-SG 2.55Å; I108-C138 CarbonylContact C-O 3.53Å; I108-C138 WeakPolarHBondContact CA-O 3.35Å; I109-C138 HydrophobicContact CB-CB 4.29Å; I109-C138 PolarHBondContact N-O 2.82Å; I109-C138 PolarHBondContact O-N 2.99Å; L114-C138 HydrophobicContact CD1-CB 3.8Å; L114-C138 HydrophobicContact CD2-CB 3.48Å; L114-C138 VanDerWaalsContact CD2-CB 3.48Å; L114-C138 HydrophobicContact CG-CB 4.26Å; C138-Q140 VanDerWaalsContact SG-CG 3.57Å
139A97.6Very high94.4Very high0 Ų033.4 Ų33.40%019%0.19CC..EExtended strand (participates in β ladder)trans-88.2125.1169.600000108F83 P84 I98 A99 V100 M101F83-A139 HydrophobicContact CD2-CB 4.19Å; P84-A139 HydrophobicContact CB-CB 4.39Å; P84-A139 WeakPolarHBondContact O-CB 3.15Å; I98-A139 HydrophobicContact CG2-CB 3.76Å; A99-A139 PolarHBondContact O-N 3.11Å; V100-A139 WeakPolarHBondContact CA-O 3.34Å; V100-A139 HydrophobicContact CG2-CB 4.45Å; M101-A139 PolarHBondContact N-O 3.02Å
140Q96.4Very high94.7Very high35 Ų3532.2 Ų32.216%0.16418%0.178CC..EExtended strand (participates in β ladder)trans-117.3138.2177.7-67.9-173.8-8.200109.7M101 E106 G107 I109 C138M101-Q140 WeakPolarHBondContact O-CA 3.46Å; E106-Q140 CarbonylContact C-O 3.57Å; E106-Q140 VanDerWaalsContact CA-O 3.24Å; E106-Q140 WeakPolarHBondContact CA-O 3.24Å; G107-Q140 PolarHBondContact N-O 3.38Å; G107-Q140 PolarHBondContact O-N 3.35Å; I109-Q140 VanDerWaalsContact CD1-NE2 3.33Å; C138-Q140 VanDerWaalsContact SG-CG 3.57Å
141L97.4Very high95Very high0 Ų027.1 Ų27.10%015%0.151CC..EExtended strand (participates in β ladder)trans-157.915317564.6168.1000109.8Q81 F83 V100 M101 Q102 G103 E106 N143 L146Q81-L141 HydrophobicContact CG-CD1 4.5Å; F83-L141 HydrophobicContact CB-CD1 4.02Å; F83-L141 HydrophobicContact CB-CD2 4Å; V100-L141 HydrophobicContact CG1-CD2 3.84Å; M101-L141 PolarHBondContact O-N 3.45Å; Q102-L141 PolarHBondContact OE1-O 3.28Å; G103-L141 PolarHBondContact N-O 2.97Å; G103-L141 VanDerWaalsContact N-O 3.09Å; G103-L141 CarbonylContact O-C 3.57Å; E106-L141 HydrophobicContact CG-CB 3.84Å; L141-N143 HydrophobicContact CD1-CB 4.47Å; L141-N143 HydrophobicContact CG-CB 4.34Å; L141-N143 PolarHBondContact O-N 3.25Å; L141-L146 HydrophobicContact CD2-CD1 3.28Å; L141-L146 HydrophobicContact CG-CD1 3.77Å
142P96.9Very high95.3Very high60 Ų6025 Ų2539%0.3913%0.133SC..  trans-75.8111.1170.629-31.8000109.2G103G103-P142 VanDerWaalsContact O-CA 3.22Å; G103-P142 WeakPolarHBondContact O-CA 3.45Å
143N95.6Very high95.4Very high6 Ų625 Ų253%0.03213%0.133CC..  trans-148.5132.3175.8-175.8-70.6000110.9L79 Q81 Q102 L141 V145 L146 E147L79-N143 PolarHBondContact O-ND2 2.87Å; L79-N143 VanDerWaalsContact O-ND2 3.11Å; Q81-N143 PolarHBondContact OE1-ND2 3.49Å; Q102-N143 VanDerWaalsContact OE1-N 3.11Å; Q102-N143 PolarHBondContact OE1-O 3.27Å; L141-N143 HydrophobicContact CD1-CB 4.47Å; L141-N143 HydrophobicContact CG-CB 4.34Å; L141-N143 PolarHBondContact O-N 3.25Å; N143-V145 PolarHBondContact O-N 3.24Å; N143-V145 VanDerWaalsContact O-N 3.13Å; N143-V145 VanDerWaalsContact OD1-CB 3.24Å; N143-V145 WeakPolarHBondContact OD1-CB 3.28Å; N143-V145 WeakPolarHBondContact OD1-CG2 3.47Å; N143-V145 PolarHBondContact OD1-N 3.49Å; N143-L146 HydrophobicContact CB-CB 4.38Å; N143-L146 HydrophobicContact CB-CD1 3.97Å; N143-L146 HydrophobicContact CB-CG 4.09Å; N143-L146 WeakPolarHBondContact O-CA 3.47Å; N143-L146 WeakPolarHBondContact O-CB 3.43Å; N143-L146 PolarHBondContact O-N 3.49Å; N143-E147 PolarHBondContact O-N 3.12Å; N143-E147 VanDerWaalsContact O-N 3.14Å
144P92.4Very high95.5Very high60 Ų6024.9 Ų24.939%0.3913%0.133SC..Hα-helixtrans-57.4-30.2-176.9-25.233.8000114.8L146 E147 K410P144-L146 VanDerWaalsContact C-N 3.33Å; P144-E147 WeakPolarHBondContact O-CB 3.15Å; P144-E147 PolarHBondContact O-N 3.47Å; P144-K410 CarbonylContact C-O 3.48Å; P144-K410 WeakPolarHBondContact CB-O 3.11Å
145V94.1Very high95.4Very high0 Ų019.7 Ų19.70%011%0.105CC..Hα-helixtrans-64.4-43.4175.3176.20000109.9L79 N143 E147 S148 I149 V409 K410 G411 F414L79-V145 HydrophobicContact CD2-CB 3.7Å; L79-V145 HydrophobicContact CD2-CG1 3.75Å; L79-V145 HydrophobicContact CD2-CG2 4.3Å; N143-V145 PolarHBondContact O-N 3.24Å; N143-V145 VanDerWaalsContact O-N 3.13Å; N143-V145 VanDerWaalsContact OD1-CB 3.24Å; N143-V145 WeakPolarHBondContact OD1-CB 3.28Å; N143-V145 WeakPolarHBondContact OD1-CG2 3.47Å; N143-V145 PolarHBondContact OD1-N 3.49Å; V145-E147 VanDerWaalsContact C-N 3.27Å; V145-E147 PolarHBondContact O-N 3.44Å; V145-S148 PolarHBondContact O-N 3.18Å; V145-I149 HydrophobicContact CG1-CD1 3.94Å; V145-I149 HydrophobicContact CG1-CG1 3.93Å; V145-I149 WeakPolarHBondContact O-CG1 3.41Å; V145-I149 PolarHBondContact O-N 3.04Å; V145-V409 HydrophobicContact CB-CG1 4.2Å; V145-V409 HydrophobicContact CG1-CG1 3.73Å; V145-V409 HydrophobicContact CG2-CG1 4.31Å; V145-K410 WeakPolarHBondContact CA-O 3.16Å; V145-K410 WeakPolarHBondContact CG2-O 3.36Å; V145-K410 PolarHBondContact N-O 2.75Å; V145-K410 VanDerWaalsContact N-O 3.12Å; V145-G411 VanDerWaalsContact CG2-O 3.3Å; V145-G411 WeakPolarHBondContact CG2-O 3.36Å; V145-F414 HydrophobicContact CG1-CD2 4.37Å; V145-F414 HydrophobicContact CG1-CE2 3.8Å; V145-F414 HydrophobicContact CG2-CD2 3.84Å; V145-F414 HydrophobicContact CG2-CE2 4.05Å
146L96.1Very high95.3Very high0 Ų016.3 Ų16.30%09%0.093CC..Hα-helixtrans-74.9-17.4-177.8-59.2177.7000112.9K58 L79 V100 Q102 L141 N143 P144 S148 I149K58-L146 PolarHBondContact NZ-O 2.8Å; L79-L146 HydrophobicContact CD1-CD1 4.42Å; L79-L146 HydrophobicContact CD2-CD1 4.4Å; L79-L146 HydrophobicContact CD2-CD2 3.92Å; L79-L146 HydrophobicContact CD2-CG 3.88Å; V100-L146 HydrophobicContact CG1-CD1 3.88Å; V100-L146 HydrophobicContact CG1-CD2 4.12Å; Q102-L146 HydrophobicContact CB-CB 4.07Å; Q102-L146 WeakPolarHBondContact CB-O 3.42Å; L141-L146 HydrophobicContact CD2-CD1 3.28Å; L141-L146 HydrophobicContact CG-CD1 3.77Å; N143-L146 HydrophobicContact CB-CB 4.38Å; N143-L146 HydrophobicContact CB-CD1 3.97Å; N143-L146 HydrophobicContact CB-CG 4.09Å; N143-L146 WeakPolarHBondContact O-CA 3.47Å; N143-L146 WeakPolarHBondContact O-CB 3.43Å; N143-L146 PolarHBondContact O-N 3.49Å; P144-L146 VanDerWaalsContact C-N 3.33Å; L146-S148 PolarHBondContact O-N 3.07Å; L146-I149 CarbonylContact C-O 3.46Å; L146-I149 VanDerWaalsContact CA-O 3.27Å; L146-I149 WeakPolarHBondContact CA-O 3.42Å
147E93.1Very high94.8Very high117 Ų11716.4 Ų16.455%0.5479%0.093SC..Hα-helixtrans-59.9-29.8166.4-65.6-175.1-179.500111.7K58 N143 P144 V145K58-E147 WeakPolarHBondContact CD-O 3.43Å; K58-E147 WeakPolarHBondContact CE-O 3.19Å; K58-E147 VanDerWaalsContact NZ-CA 3.27Å; K58-E147 PolarHBondContact NZ-O 3.43Å; N143-E147 PolarHBondContact O-N 3.12Å; N143-E147 VanDerWaalsContact O-N 3.14Å; P144-E147 WeakPolarHBondContact O-CB 3.15Å; P144-E147 PolarHBondContact O-N 3.47Å; V145-E147 VanDerWaalsContact C-N 3.27Å; V145-E147 PolarHBondContact O-N 3.44Å
148S91.4Very high93.7Very high27 Ų2716 Ų1619%0.1899%0.09CC..Hα-helixtrans-104.2-35.2-174.1-57.80000113.9P59 V145 L146P59-S148 WeakPolarHBondContact CD-O 3.2Å; V145-S148 PolarHBondContact O-N 3.18Å; L146-S148 PolarHBondContact O-N 3.07Å
149I95.9Very high92.2Very high0 Ų019.7 Ų19.70%012%0.116CC..  trans-135.9173.8-177.757.6167.9000111.7P59 V61 V145 L146 V151 I282 L285 P286 V409P59-I149 HydrophobicContact CB-CG2 4.24Å; P59-I149 CarbonylContact O-C 3.59Å; P59-I149 WeakPolarHBondContact O-CA 3.41Å; V61-I149 HydrophobicContact CG2-CD1 4.35Å; V145-I149 HydrophobicContact CG1-CD1 3.94Å; V145-I149 HydrophobicContact CG1-CG1 3.93Å; V145-I149 WeakPolarHBondContact O-CG1 3.41Å; V145-I149 PolarHBondContact O-N 3.04Å; L146-I149 CarbonylContact C-O 3.46Å; L146-I149 VanDerWaalsContact CA-O 3.27Å; L146-I149 WeakPolarHBondContact CA-O 3.42Å; I149-V151 HydrophobicContact CD1-CG2 4.38Å; I149-I282 HydrophobicContact CD1-CG2 3.79Å; I149-L285 HydrophobicContact CG2-CB 4.32Å; I149-P286 HydrophobicContact CG2-CG 4.07Å; I149-V409 HydrophobicContact CD1-CG1 4.45Å; I149-V409 HydrophobicContact CD1-CG2 4.22Å; I149-V409 HydrophobicContact CG1-CG1 4.47Å; I149-V409 HydrophobicContact CG1-CG2 4.21Å; I149-V409 HydrophobicContact CG2-CG2 3.7Å
150S97.1Very high90.4Very high2 Ų221.7 Ų21.71%0.01414%0.136CC..EExtended strand (participates in β ladder)trans-130.3150.5165.7-62.70000109.4P59 M60 V61P59-S150 PolarHBondContact O-N 2.7Å; M60-S150 CarbonylContact C-O 3.53Å; M60-S150 VanDerWaalsContact CA-O 3.31Å; M60-S150 WeakPolarHBondContact CA-O 3.36Å; V61-S150 PolarHBondContact N-O 3.45Å
151V97.9Very high88.3Confident1 Ų127.3 Ų27.31%0.00616%0.163CC..EExtended strand (participates in β ladder)trans-122.2134.5-175.8-169.10000109.3V61 L63 I75 V100 I149V61-V151 CarbonylContact O-C 3.59Å; V61-V151 WeakPolarHBondContact O-CA 3.2Å; L63-V151 HydrophobicContact CD1-CG1 4.39Å; L63-V151 HydrophobicContact CG-CG1 4.18Å; I75-V151 HydrophobicContact CD1-CG1 3.77Å; I75-V151 HydrophobicContact CG1-CG1 3.81Å; V100-V151 PolarHBondContact N-O 3.37Å; V100-V151 PolarHBondContact O-N 2.86Å; I149-V151 HydrophobicContact CD1-CG2 4.38Å
152I97.9Very high86.1Confident0 Ų036.7 Ų36.70%020%0.203CC..EExtended strand (participates in β ladder)trans-107.2108.5176.5-50.5-58.1000107.8V61 L62 L63 I98 A99 F122 F178V61-I152 PolarHBondContact O-N 3.47Å; L62-I152 HydrophobicContact CD1-CB 3.75Å; L62-I152 HydrophobicContact CD1-CG2 3.63Å; L63-I152 PolarHBondContact N-O 3.22Å; I98-I152 WeakPolarHBondContact O-CA 3.31Å; A99-I152 HydrophobicContact CB-CD1 3.67Å; F122-I152 HydrophobicContact CE1-CD1 4.46Å; F122-I152 HydrophobicContact CZ-CD1 4.27Å; I152-F178 HydrophobicContact CD1-CE1 4.15Å; I152-F178 HydrophobicContact CG1-CD1 4.22Å; I152-F178 HydrophobicContact CG1-CE1 4.11Å; I152-F178 HydrophobicContact CG2-CD1 4.29Å; I152-F178 HydrophobicContact CG2-CE1 3.98Å; I152-F178 HydrophobicContact CG2-CZ 4.12Å
153D96.8Very high84.1Confident0 Ų037.9 Ų37.90%020%0.204CC..EExtended strand (participates in β ladder)trans-80.3132.2167.6-156.73000108.8K71 T72 I75 F97 I98K71-D153 WeakPolarHBondContact CB-OD1 3.39Å; T72-D153 WeakPolarHBondContact CB-OD2 3.38Å; T72-D153 PolarHBondContact OG1-OD2 3.19Å; I75-D153 HydrophobicContact CD1-CB 3.44Å; I75-D153 VanDerWaalsContact CD1-CB 3.44Å; F97-D153 WeakPolarHBondContact CA-O 3.32Å; I98-D153 HydrophobicContact CB-CB 4.09Å; I98-D153 PolarHBondContact N-O 3.48Å; I98-D153 PolarHBondContact O-N 3.49Å
154T95Very high82.1Confident0 Ų041.5 Ų41.50%022%0.217CC..  trans-107.2152.5177.575.70000110.3L62 L63 K71 F97 L175L62-T154 HydrophobicContact CD1-CG2 3.51Å; L62-T154 HydrophobicContact CG-CG2 4.37Å; L63-T154 WeakPolarHBondContact O-CB 3.48Å; L63-T154 WeakPolarHBondContact O-CG2 3.36Å; L63-T154 PolarHBondContact O-OG1 3.03Å; K71-T154 WeakPolarHBondContact CE-O 3.3Å; F97-T154 HydrophobicContact CD1-CG2 3.98Å; F97-T154 HydrophobicContact CE1-CG2 3.76Å; T154-L175 HydrophobicContact CG2-CD2 3.66Å
155P91.1Very high80.2Confident1 Ų145.9 Ų45.91%0.00624%0.235CC..PPolyproline II helixtrans-50.3149164.9-23.231.2000111.2F97 F171F97-P155 VanDerWaalsContact CD2-CD 3.48Å; F97-P155 HydrophobicContact CD2-CG 3.73Å; F97-P155 HydrophobicContact CE2-CG 3.79Å; F97-P155 HydrophobicContact CG-CG 4.36Å; F97-P155 HydrophobicContact CZ-CG 4.46Å; P155-F171 HydrophobicContact CB-CE2 4.15Å; P155-F171 HydrophobicContact CG-CE2 4.11Å
156G88.8Confident78.7Confident2 Ų250 Ų502%0.02126%0.264CS..PPolyproline II helixtrans-59.1143.6169.400000111.2Y67 R167Y67-G156 VanDerWaalsContact CE2-CA 3.48Å; Y67-G156 WeakPolarHBondContact CE2-O 3.27Å; Y67-G156 PolarHBondContact OH-O 2.8Å; G156-R167 PolarHBondContact O-NH2 2.79Å
157I85.6Confident77.8Confident1 Ų150.6 Ų50.61%0.00527%0.266CS..BIsolated β-bridgetrans-82.2122.6170-59.4172.4000108.2V64 G65 Q66 Y67 F171 E199 F200 V203V64-I157 HydrophobicContact CG1-CD1 3.79Å; G65-I157 PolarHBondContact O-N 2.88Å; G65-I157 VanDerWaalsContact O-N 3.13Å; Q66-I157 WeakPolarHBondContact CA-O 3.44Å; Q66-I157 HydrophobicContact CG-CB 4.45Å; Y67-I157 VanDerWaalsContact CD2-O 3.22Å; Y67-I157 WeakPolarHBondContact CD2-O 3.25Å; Y67-I157 PolarHBondContact N-O 2.72Å; I157-F171 HydrophobicContact CD1-CE1 4.06Å; I157-F171 HydrophobicContact CG1-CE1 3.67Å; I157-F171 HydrophobicContact CG1-CZ 4Å; I157-E199 HydrophobicContact CG2-CB 3.94Å; I157-E199 HydrophobicContact CG2-CG 3.86Å; I157-F200 HydrophobicContact CD1-CB 4.28Å; I157-F200 HydrophobicContact CD1-CD2 3.3Å; I157-F200 HydrophobicContact CD1-CE2 3.79Å; I157-F200 HydrophobicContact CD1-CG 3.96Å; I157-F200 HydrophobicContact CG2-CB 4.03Å; I157-V203 HydrophobicContact CD1-CB 4.24Å; I157-V203 HydrophobicContact CD1-CG1 4.14Å; I157-V203 HydrophobicContact CD1-CG2 4.15Å
158L73.5Confident77.4Confident23 Ų2347.9 Ų47.912%0.1227%0.269CS..PPolyproline II helixtrans-78.4146.7-176.1-73.4166.9000109.1Y67 Q163Y67-L158 HydrophobicContact CD2-CD2 3.48Å; Y67-L158 VanDerWaalsContact CD2-CD2 3.48Å; Y67-L158 HydrophobicContact CD2-CG 4.07Å; Y67-L158 HydrophobicContact CE1-CD2 4.31Å; Y67-L158 HydrophobicContact CE2-CB 4.03Å; Y67-L158 HydrophobicContact CE2-CD1 4.35Å; Y67-L158 HydrophobicContact CE2-CD2 2.95Å; Y67-L158 HydrophobicContact CE2-CG 3.23Å; Y67-L158 HydrophobicContact CG-CD2 4.37Å; L158-Q163 HydrophobicContact CB-CB 3.94Å; L158-Q163 VanDerWaalsContact CB-OE1 3.26Å; L158-Q163 HydrophobicContact CD1-CB 3.48Å; L158-Q163 VanDerWaalsContact CD1-CB 3.48Å; L158-Q163 HydrophobicContact CD1-CG 3.84Å; L158-Q163 HydrophobicContact CG-CB 4.15Å
159S65.1Low77.2Confident79 Ų7948 Ų4855%0.55227%0.266SS*.SBendtrans-91.6107.6170.545.60000109.6
160G59.5Low76.8Confident41 Ų4152.7 Ų52.742%0.42329%0.291SS..SBendtrans120.3148.816900000116.6K162 Q163G160-K162 PolarHBondContact O-N 2.94Å; G160-Q163 PolarHBondContact O-N 3.43Å
161E52.8Low76.4Confident154 Ų15453.1 Ų53.172%0.7229%0.293SS*.Hα-helixtrans-62.3-34.2-170.3-68.7-177.9148.600115.3Q163 R164E161-Q163 PolarHBondContact O-N 3.49Å; E161-R164 WeakPolarHBondContact O-CB 3.46Å; E161-R164 PolarHBondContact O-N 2.98Å
162K51.5Low76Confident197 Ų19754.3 Ų54.386%0.85730%0.303SS*.Hα-helixtrans-63.3-20-175-70.4-172.1-175.8-178.40113.5G160G160-K162 PolarHBondContact O-N 2.94Å
163Q54.1Low75.6Confident85 Ų8555.4 Ų55.440%0.39731%0.312SS..Hα-helixtrans-96.5-19.9-176.8-86.6175.4-1200113.4L158 G160 E161 I165 S166L158-Q163 HydrophobicContact CB-CB 3.94Å; L158-Q163 VanDerWaalsContact CB-OE1 3.26Å; L158-Q163 HydrophobicContact CD1-CB 3.48Å; L158-Q163 VanDerWaalsContact CD1-CB 3.48Å; L158-Q163 HydrophobicContact CD1-CG 3.84Å; L158-Q163 HydrophobicContact CG-CB 4.15Å; G160-Q163 PolarHBondContact O-N 3.43Å; E161-Q163 PolarHBondContact O-N 3.49Å; Q163-I165 PolarHBondContact O-N 3.19Å; Q163-S166 PolarHBondContact O-N 2.96Å
164R54.6Low75.4Confident82 Ų8255.4 Ų55.431%0.30931%0.312SS..Hα-helixtrans-57.4-35.9172-70.4-176.5-177.1-169.2-1.2112.3E161 S166 E199 E202E161-R164 WeakPolarHBondContact O-CB 3.46Å; E161-R164 PolarHBondContact O-N 2.98Å; R164-S166 VanDerWaalsContact C-N 3.26Å; R164-S166 PolarHBondContact O-N 3.36Å; R164-E199 HydrophobicContact CG-CG 4.49Å; R164-E199 VanDerWaalsContact CG-OE2 3.32Å; R164-E199 WeakPolarHBondContact CG-OE2 3.42Å; R164-E199 IonicContact NE-OE2 2.87Å; R164-E199 VanDerWaalsContact NH2-CA 3.26Å; R164-E202 IonicContact CZ-OE1 3.42Å; R164-E202 VanDerWaalsContact CZ-OE1 3.28Å; R164-E202 IonicContact CZ-OE2 2.62Å; R164-E202 IonicContact NH1-OE1 2.71Å; R164-E202 PolarHBondContact NH1-OE1 3.02Å; R164-E202 IonicContact NH1-OE2 2.82Å; R164-E202 PolarHBondContact NH1-OE2 3.47Å; R164-E202 VanDerWaalsContact NH1-OE2 3.14Å; R164-E202 VanDerWaalsContact NH2-CD 3.3Å; R164-E202 IonicContact NH2-OE1 3.6Å; R164-E202 PolarHBondContact NH2-OE1 2.91Å; R164-E202 IonicContact NH2-OE2 3.69Å; R164-E202 PolarHBondContact NH2-OE2 3.38Å
165I52.3Low75.3Confident151 Ų15155.4 Ų55.477%0.77431%0.312SS*.THydrogen-bonded Turntrans-73-15.5-175.6-57.3170.9000112.3Q163Q163-I165 PolarHBondContact O-N 3.19Å
166S63Low75.4Confident86 Ų8656.8 Ų56.860%0.60132%0.318SS*.THydrogen-bonded Turntrans-90.8-9.7-169.6-169.70000115.4R135 Q163 R164R135-S166 PolarHBondContact NH2-O 2.91Å; R135-S166 VanDerWaalsContact NH2-O 3.14Å; Q163-S166 PolarHBondContact O-N 2.96Å; R164-S166 VanDerWaalsContact C-N 3.26Å; R164-S166 PolarHBondContact O-N 3.36Å
167R77Confident75.5Confident14 Ų1457.4 Ų57.45%0.05332%0.32CS..SBendtrans-79.9-34.1-174.9-70.3-174.3-177.71494.9114G156 Y169 F171 E199G156-R167 PolarHBondContact O-NH2 2.79Å; R167-Y169 VanDerWaalsContact C-N 3.26Å; R167-Y169 HydrophobicContact CB-CD1 4.12Å; R167-Y169 HydrophobicContact CB-CE1 3.82Å; R167-Y169 HydrophobicContact CG-CE1 4.5Å; R167-Y169 WeakPolarHBondContact O-CD1 3.18Å; R167-Y169 PolarHBondContact O-N 3.46Å; R167-F171 VanDerWaalsContact NH1-CB 3.32Å; R167-F171 VanDerWaalsContact NH1-CD1 3.3Å; R167-E199 IonicContact CZ-OE1 3.93Å; R167-E199 VanDerWaalsContact CZ-OE1 3.29Å; R167-E199 IonicContact NH1-OE1 2.72Å; R167-E199 PolarHBondContact NH1-OE1 3.38Å; R167-E199 IonicContact NH2-OE1 3.74Å; R167-E199 PolarHBondContact NH2-OE1 3.48Å
168G83.9Confident76Confident59 Ų5957.3 Ų57.361%0.60832%0.32SS*.SBendtrans74.811.2-178.800000114.8A131A131-G168 WeakPolarHBondContact CB-O 3.4Å
169Y87.9Confident76.9Confident29 Ų2956.2 Ų56.211%0.11431%0.314CS..SBendtrans-150.3160.4172.963.5-87.8000110F97 F132 R167 F171 V174F97-Y169 AromaticContact CE2-CE2 3.85Å; F97-Y169 HydrophobicContact CE2-CE2 3.85Å; F97-Y169 AromaticContact CE2-CZ 4Å; F97-Y169 WeakPolarHBondContact CE2-OH 3.43Å; F132-Y169 HydrophobicContact CB-CD1 4.16Å; F132-Y169 HydrophobicContact CB-CD2 4.36Å; F132-Y169 HydrophobicContact CB-CG 3.88Å; F132-Y169 HydrophobicContact CD2-CD1 4.42Å; F132-Y169 AromaticContact CD2-CD2 3.78Å; F132-Y169 HydrophobicContact CD2-CD2 3.78Å; F132-Y169 HydrophobicContact CD2-CE1 4.48Å; F132-Y169 AromaticContact CD2-CE2 3.84Å; F132-Y169 HydrophobicContact CD2-CE2 3.84Å; F132-Y169 HydrophobicContact CD2-CG 4.1Å; F132-Y169 HydrophobicContact CE2-CE2 4.44Å; F132-Y169 HydrophobicContact CG-CD2 4.49Å; F132-Y169 HydrophobicContact CG-CG 4.47Å; R167-Y169 VanDerWaalsContact C-N 3.26Å; R167-Y169 HydrophobicContact CB-CD1 4.12Å; R167-Y169 HydrophobicContact CB-CE1 3.82Å; R167-Y169 HydrophobicContact CG-CE1 4.5Å; R167-Y169 WeakPolarHBondContact O-CD1 3.18Å; R167-Y169 PolarHBondContact O-N 3.46Å; Y169-F171 HydrophobicContact CE2-CB 4.18Å; Y169-F171 AromaticContact CE2-CD2 3.97Å; Y169-F171 HydrophobicContact CE2-CD2 3.97Å; Y169-F171 PolarHBondContact O-N 3.35Å; Y169-V174 HydrophobicContact CD2-CG2 3.97Å; Y169-V174 HydrophobicContact CE2-CG2 4.37Å
170D87.6Confident78Confident99 Ų9954.9 Ų54.953%0.52930%0.299SS..  trans-78.5102.1176.9-173.6-21.2000110.5A172 A173 V174D170-A172 PolarHBondContact OD1-N 2.92Å; D170-A172 VanDerWaalsContact OD1-N 3.14Å; D170-A173 HydrophobicContact CB-CB 3.89Å; D170-A173 VanDerWaalsContact CG-CB 3.4Å; D170-A173 PolarHBondContact OD1-N 3.43Å; D170-V174 WeakPolarHBondContact O-CG2 3.45Å; D170-V174 PolarHBondContact O-N 2.94Å
171F89.1Confident79.5Confident11 Ų1153.9 Ų53.95%0.04828%0.282CS..Hα-helixtrans-67.4-38.4-177-177.5-99000113.2F97 P155 I157 R167 Y169 V174 L175 V203F97-F171 HydrophobicContact CE1-CE2 4.37Å; F97-F171 AromaticContact CE2-CD2 3.84Å; F97-F171 HydrophobicContact CE2-CD2 3.84Å; F97-F171 AromaticContact CE2-CE2 3.74Å; F97-F171 HydrophobicContact CE2-CE2 3.74Å; F97-F171 AromaticContact CZ-CD2 3.68Å; F97-F171 HydrophobicContact CZ-CD2 3.68Å; F97-F171 AromaticContact CZ-CE2 3.39Å; F97-F171 HydrophobicContact CZ-CE2 3.39Å; F97-F171 HydrophobicContact CZ-CZ 4.26Å; P155-F171 HydrophobicContact CB-CE2 4.15Å; P155-F171 HydrophobicContact CG-CE2 4.11Å; I157-F171 HydrophobicContact CD1-CE1 4.06Å; I157-F171 HydrophobicContact CG1-CE1 3.67Å; I157-F171 HydrophobicContact CG1-CZ 4Å; R167-F171 VanDerWaalsContact NH1-CB 3.32Å; R167-F171 VanDerWaalsContact NH1-CD1 3.3Å; Y169-F171 HydrophobicContact CE2-CB 4.18Å; Y169-F171 AromaticContact CE2-CD2 3.97Å; Y169-F171 HydrophobicContact CE2-CD2 3.97Å; Y169-F171 PolarHBondContact O-N 3.35Å; F171-V174 PolarHBondContact O-N 3.23Å; F171-L175 HydrophobicContact CD1-CD1 3.9Å; F171-L175 HydrophobicContact CD1-CG 4.46Å; F171-L175 HydrophobicContact CE1-CD1 3.27Å; F171-L175 HydrophobicContact CE1-CG 4.07Å; F171-L175 HydrophobicContact CZ-CD1 3.7Å; F171-L175 HydrophobicContact CZ-CG 4.22Å; F171-L175 PolarHBondContact O-N 3.33Å; F171-L175 VanDerWaalsContact O-N 3.09Å; F171-V203 HydrophobicContact CD1-CG2 3.94Å; F171-V203 HydrophobicContact CE1-CG2 3.99Å
172A88.9Confident81.4Confident26 Ų2646.6 Ų46.622%0.21525%0.248CC..Hα-helixtrans-68.3-41.2-179.600000110.6D170 V174 L175 E176 V203 A206D170-A172 PolarHBondContact OD1-N 2.92Å; D170-A172 VanDerWaalsContact OD1-N 3.14Å; A172-V174 VanDerWaalsContact C-N 3.35Å; A172-V174 PolarHBondContact O-N 3.22Å; A172-L175 PolarHBondContact O-N 3.34Å; A172-E176 WeakPolarHBondContact O-CB 3.38Å; A172-E176 PolarHBondContact O-N 2.76Å; A172-V203 HydrophobicContact CB-CG2 4.48Å; A172-A206 HydrophobicContact CB-CB 4.48Å
173A88.6Confident83.5Confident24 Ų2437.6 Ų37.620%0.19821%0.209CC..Hα-helixtrans-64.6-36.817600000112.8F128 D170 W177F128-A173 HydrophobicContact CE1-CB 3.87Å; F128-A173 HydrophobicContact CZ-CB 4.47Å; D170-A173 HydrophobicContact CB-CB 3.89Å; D170-A173 VanDerWaalsContact CG-CB 3.4Å; D170-A173 PolarHBondContact OD1-N 3.43Å; A173-W177 WeakPolarHBondContact O-CB 3.22Å; A173-W177 PolarHBondContact O-N 2.88Å
174V93.2Very high85.5Confident0 Ų034 Ų340%019%0.192CC..Hα-helixtrans-63.9-45173.6170.90000111.1F97 F128 F132 Y169 D170 F171 A172 W177 F178F97-V174 HydrophobicContact CD1-CG1 4.43Å; F97-V174 HydrophobicContact CE1-CG1 3.8Å; F97-V174 HydrophobicContact CE2-CG1 4.05Å; F97-V174 HydrophobicContact CZ-CB 4.3Å; F97-V174 HydrophobicContact CZ-CG1 3.58Å; F128-V174 HydrophobicContact CB-CG2 4.41Å; F128-V174 HydrophobicContact CD1-CG2 3.6Å; F128-V174 HydrophobicContact CD2-CG2 3.92Å; F128-V174 HydrophobicContact CE1-CG2 3.7Å; F128-V174 HydrophobicContact CE2-CG2 4.03Å; F128-V174 HydrophobicContact CG-CG2 3.71Å; F128-V174 HydrophobicContact CZ-CB 4.46Å; F128-V174 HydrophobicContact CZ-CG2 3.92Å; F132-V174 HydrophobicContact CD2-CG1 4.34Å; F132-V174 HydrophobicContact CD2-CG2 3.85Å; F132-V174 HydrophobicContact CE2-CB 4.35Å; F132-V174 HydrophobicContact CE2-CG1 3.54Å; F132-V174 HydrophobicContact CE2-CG2 3.88Å; F132-V174 HydrophobicContact CG-CG2 4.39Å; F132-V174 HydrophobicContact CZ-CG1 3.83Å; F132-V174 HydrophobicContact CZ-CG2 4.43Å; Y169-V174 HydrophobicContact CD2-CG2 3.97Å; Y169-V174 HydrophobicContact CE2-CG2 4.37Å; D170-V174 WeakPolarHBondContact O-CG2 3.45Å; D170-V174 PolarHBondContact O-N 2.94Å; F171-V174 PolarHBondContact O-N 3.23Å; A172-V174 VanDerWaalsContact C-N 3.35Å; A172-V174 PolarHBondContact O-N 3.22Å; V174-W177 WeakPolarHBondContact O-CB 3.27Å; V174-W177 PolarHBondContact O-N 3.46Å; V174-F178 HydrophobicContact CG1-CD2 3.88Å; V174-F178 HydrophobicContact CG1-CE2 3.73Å; V174-F178 VanDerWaalsContact O-CD2 3.3Å; V174-F178 WeakPolarHBondContact O-CD2 3.41Å; V174-F178 PolarHBondContact O-N 3.3Å
175L94Very high87.5Confident0 Ų030 Ų300%018%0.177CC..Hα-helixtrans-65.7-39.9178.1-74.1-179.2000112.5L62 V64 F97 T154 F171 A172 W177 F178 A179 V203 L207L62-L175 HydrophobicContact CD1-CD2 4.28Å; L62-L175 HydrophobicContact CD2-CD2 4.19Å; V64-L175 HydrophobicContact CG1-CD1 3.96Å; V64-L175 HydrophobicContact CG2-CD2 4.12Å; F97-L175 HydrophobicContact CE1-CD2 3.82Å; F97-L175 HydrophobicContact CZ-CD2 4.3Å; T154-L175 HydrophobicContact CG2-CD2 3.66Å; F171-L175 HydrophobicContact CD1-CD1 3.9Å; F171-L175 HydrophobicContact CD1-CG 4.46Å; F171-L175 HydrophobicContact CE1-CD1 3.27Å; F171-L175 HydrophobicContact CE1-CG 4.07Å; F171-L175 HydrophobicContact CZ-CD1 3.7Å; F171-L175 HydrophobicContact CZ-CG 4.22Å; F171-L175 PolarHBondContact O-N 3.33Å; F171-L175 VanDerWaalsContact O-N 3.09Å; A172-L175 PolarHBondContact O-N 3.34Å; L175-W177 VanDerWaalsContact C-N 3.3Å; L175-W177 PolarHBondContact O-N 3.04Å; L175-F178 PolarHBondContact O-N 3.42Å; L175-A179 WeakPolarHBondContact O-CB 3.36Å; L175-A179 PolarHBondContact O-N 3.45Å; L175-V203 HydrophobicContact CD1-CB 4.34Å; L175-V203 HydrophobicContact CD1-CG1 3.31Å; L175-V203 HydrophobicContact CD1-CG2 4.04Å; L175-L207 HydrophobicContact CB-CD2 4.41Å
176E91.7Very high89.7Confident29 Ų2922.9 Ų22.914%0.13614%0.141CC..Hα-helixtrans-58.2-44.1171.9-172.7-179.6-161.700110.7A172 F178 A179 E180 R358A172-E176 WeakPolarHBondContact O-CB 3.38Å; A172-E176 PolarHBondContact O-N 2.76Å; E176-F178 VanDerWaalsContact C-N 3.32Å; E176-F178 PolarHBondContact O-N 2.77Å; E176-A179 VanDerWaalsContact O-CB 3.32Å; E176-A179 WeakPolarHBondContact O-CB 3.42Å; E176-A179 PolarHBondContact O-N 3.4Å; E176-A179 VanDerWaalsContact O-N 3.11Å; E176-E180 PolarHBondContact O-N 2.95Å; E176-E180 VanDerWaalsContact O-N 3.17Å; E176-R358 IonicContact OE1-CZ 3.9Å; E176-R358 IonicContact OE1-NH1 2.63Å; E176-R358 PolarHBondContact OE1-NH1 3.37Å; E176-R358 IonicContact OE1-NH2 3.25Å; E176-R358 IonicContact OE2-CZ 2.69Å; E176-R358 IonicContact OE2-NH1 3.6Å; E176-R358 PolarHBondContact OE2-NH1 3.14Å; E176-R358 IonicContact OE2-NH2 3.52Å; E176-R358 PolarHBondContact OE2-NH2 3.38Å
177W92.3Very high91.4Very high15 Ų1518.8 Ų18.86%0.05711%0.112CC..Hα-helixtrans-60.1-39.3176.7-178.596.1000113P121 F122 K124 L125 F128 A173 V174 L175 R181P121-W177 VanDerWaalsContact O-CH2 3.25Å; P121-W177 WeakPolarHBondContact O-CH2 3.29Å; F122-W177 HydrophobicContact CD1-CH2 4.17Å; F122-W177 HydrophobicContact CD1-CZ3 4.4Å; K124-W177 HydrophobicContact CB-CZ2 4.16Å; L125-W177 HydrophobicContact CD1-CE3 4.44Å; L125-W177 HydrophobicContact CD1-CH2 4.02Å; L125-W177 HydrophobicContact CD1-CZ3 3.86Å; L125-W177 HydrophobicContact CD2-CD2 3.55Å; L125-W177 HydrophobicContact CD2-CE3 3.38Å; L125-W177 HydrophobicContact CD2-CG 4.24Å; L125-W177 HydrophobicContact CD2-CH2 3.99Å; L125-W177 HydrophobicContact CD2-CZ2 4.13Å; L125-W177 HydrophobicContact CD2-CZ3 3.62Å; L125-W177 HydrophobicContact CG-CD2 4.29Å; L125-W177 HydrophobicContact CG-CE3 4.04Å; L125-W177 HydrophobicContact CG-CH2 3.7Å; L125-W177 HydrophobicContact CG-CZ2 3.94Å; L125-W177 HydrophobicContact CG-CZ3 3.75Å; F128-W177 HydrophobicContact CE2-CB 4.06Å; F128-W177 HydrophobicContact CE2-CG 4.03Å; F128-W177 HydrophobicContact CZ-CB 4Å; F128-W177 HydrophobicContact CZ-CG 4.39Å; A173-W177 WeakPolarHBondContact O-CB 3.22Å; A173-W177 PolarHBondContact O-N 2.88Å; V174-W177 WeakPolarHBondContact O-CB 3.27Å; V174-W177 PolarHBondContact O-N 3.46Å; L175-W177 VanDerWaalsContact C-N 3.3Å; L175-W177 PolarHBondContact O-N 3.04Å; W177-R181 VanDerWaalsContact CZ2-NE 3.33Å; W177-R181 PolarHBondContact O-NH1 3.33Å
178F94.8Very high92.3Very high0 Ų018.1 Ų18.10%011%0.109CC..Hα-helixtrans-69.1-41.1173.5-82-72.7000111.3L62 F97 F122 L125 F136 I152 V174 L175 E176 E180 R181 V182L62-F178 HydrophobicContact CD1-CB 4.13Å; L62-F178 HydrophobicContact CD1-CG 4.3Å; L62-F178 HydrophobicContact CD2-CB 3.91Å; F97-F178 HydrophobicContact CD1-CD2 4.45Å; F97-F178 AromaticContact CD1-CE2 3.86Å; F97-F178 HydrophobicContact CD1-CE2 3.86Å; F97-F178 HydrophobicContact CE1-CD2 4.34Å; F97-F178 HydrophobicContact CE1-CE2 4.12Å; F122-F178 HydrophobicContact CD1-CE1 4.44Å; F122-F178 HydrophobicContact CE1-CE1 4.01Å; L125-F178 HydrophobicContact CD1-CZ 4.02Å; F136-F178 HydrophobicContact CE2-CZ 4.05Å; F136-F178 HydrophobicContact CZ-CZ 4.35Å; I152-F178 HydrophobicContact CD1-CE1 4.15Å; I152-F178 HydrophobicContact CG1-CD1 4.22Å; I152-F178 HydrophobicContact CG1-CE1 4.11Å; I152-F178 HydrophobicContact CG2-CD1 4.29Å; I152-F178 HydrophobicContact CG2-CE1 3.98Å; I152-F178 HydrophobicContact CG2-CZ 4.12Å; V174-F178 HydrophobicContact CG1-CD2 3.88Å; V174-F178 HydrophobicContact CG1-CE2 3.73Å; V174-F178 VanDerWaalsContact O-CD2 3.3Å; V174-F178 WeakPolarHBondContact O-CD2 3.41Å; V174-F178 PolarHBondContact O-N 3.3Å; L175-F178 PolarHBondContact O-N 3.42Å; E176-F178 VanDerWaalsContact C-N 3.32Å; E176-F178 PolarHBondContact O-N 2.77Å; F178-E180 PolarHBondContact O-N 3.25Å; F178-R181 CarbonylContact O-C 3.57Å; F178-R181 PolarHBondContact O-N 3.11Å; F178-V182 HydrophobicContact CB-CG1 4.29Å; F178-V182 WeakPolarHBondContact O-CG1 3.35Å; F178-V182 WeakPolarHBondContact O-CG2 3.27Å; F178-V182 PolarHBondContact O-N 3.38Å
179A92.7Very high92.9Very high0 Ų015.4 Ų15.40%08%0.081CC..Hα-helixtrans-56.4-36-179.600000113.3L175 E176 R181 I185 L207 H210 K213L175-A179 WeakPolarHBondContact O-CB 3.36Å; L175-A179 PolarHBondContact O-N 3.45Å; E176-A179 VanDerWaalsContact O-CB 3.32Å; E176-A179 WeakPolarHBondContact O-CB 3.42Å; E176-A179 PolarHBondContact O-N 3.4Å; E176-A179 VanDerWaalsContact O-N 3.11Å; A179-R181 PolarHBondContact O-N 2.95Å; A179-I185 HydrophobicContact CB-CD1 3.86Å; A179-L207 HydrophobicContact CB-CD2 3.36Å; A179-H210 HydrophobicContact CB-CB 4.43Å; A179-K213 PolarHBondContact O-NZ 3.2Å
180E88.4Confident93.3Very high51 Ų5114.6 Ų14.624%0.2388%0.078CC..THydrogen-bonded Turntrans-62.6-27.3174.1-68-175.8157.300113.4S47 E176 F178S47-E180 VanDerWaalsContact CB-OE1 3.27Å; S47-E180 WeakPolarHBondContact CB-OE1 3.29Å; S47-E180 WeakPolarHBondContact CB-OE2 3.36Å; S47-E180 PolarHBondContact OG-OE1 3.49Å; E176-E180 PolarHBondContact O-N 2.95Å; E176-E180 VanDerWaalsContact O-N 3.17Å; F178-E180 PolarHBondContact O-N 3.25Å
181R90.3Very high93.6Very high20 Ų209.9 Ų9.98%0.0755%0.054CC..THydrogen-bonded Turntrans-113.7-16.9-168.8-71.7167.6179.868.410.7114.7D54 M60 W177 F178 A179D54-R181 IonicContact OD1-NE 2.65Å; D54-R181 PolarHBondContact OD1-NE 3.28Å; M60-R181 HydrophobicContact CE-CB 3.85Å; M60-R181 VanDerWaalsContact CE-O 3.27Å; M60-R181 WeakPolarHBondContact CE-O 3.47Å; W177-R181 VanDerWaalsContact CZ2-NE 3.33Å; W177-R181 PolarHBondContact O-NH1 3.33Å; F178-R181 CarbonylContact O-C 3.57Å; F178-R181 PolarHBondContact O-N 3.11Å; A179-R181 PolarHBondContact O-N 2.95Å
182V94.1Very high93.6Very high1 Ų114.1 Ų14.11%0.0067%0.073CC..  trans-86.9156.1-179.6-59.70000110.4M60 L62 F178 I185 K213M60-V182 HydrophobicContact CB-CB 4.18Å; M60-V182 HydrophobicContact CB-CG1 3.82Å; M60-V182 HydrophobicContact CE-CG1 4.27Å; M60-V182 WeakPolarHBondContact O-CB 3.39Å; L62-V182 HydrophobicContact CB-CB 4.31Å; L62-V182 HydrophobicContact CB-CG1 4Å; L62-V182 HydrophobicContact CB-CG2 4.07Å; F178-V182 HydrophobicContact CB-CG1 4.29Å; F178-V182 WeakPolarHBondContact O-CG1 3.35Å; F178-V182 WeakPolarHBondContact O-CG2 3.27Å; F178-V182 PolarHBondContact O-N 3.38Å; V182-I185 HydrophobicContact CG2-CD1 4.34Å; V182-I185 HydrophobicContact CG2-CG1 3.69Å; V182-K213 WeakPolarHBondContact O-CD 3.25Å; V182-K213 WeakPolarHBondContact O-CE 3.48Å; V182-K213 PolarHBondContact O-NZ 3.42Å
183D94.6Very high93.6Very high7 Ų720.2 Ų20.24%0.03710%0.095CC..SBendtrans-93.4-23.6179.6-64.3-106.7000111.9P59 M60 L285 R292P59-D183 WeakPolarHBondContact CA-OD2 3.25Å; P59-D183 HydrophobicContact CB-CB 4.16Å; P59-D183 WeakPolarHBondContact CB-OD2 3.31Å; M60-D183 PolarHBondContact N-OD2 3.05Å; M60-D183 PolarHBondContact O-N 2.98Å; D183-L285 HydrophobicContact CB-CD2 4.14Å; D183-R292 IonicContact OD1-NH1 3.29Å
184R95.9Very high93.5Very high9 Ų921.4 Ų21.43%0.03410%0.098CC..EExtended strand (participates in β ladder)trans-146.1138.5-178.3-163.667.164.4-162.59.2110.6M60 V61 L62 I186 K213 R215 D281 L285M60-R184 PolarHBondContact O-N 3.25Å; V61-R184 WeakPolarHBondContact CA-O 3.44Å; V61-R184 HydrophobicContact CG1-CB 4.32Å; V61-R184 HydrophobicContact CG2-CB 4.27Å; L62-R184 PolarHBondContact N-O 3.23Å; R184-I186 HydrophobicContact CG-CG1 4.21Å; R184-K213 WeakPolarHBondContact CD-O 3.33Å; R184-R215 HydrophobicContact CG-CG 4.47Å; R184-R215 VanDerWaalsContact NH1-CZ 3.33Å; R184-R215 VanDerWaalsContact NH1-NH2 3.15Å; R184-D281 IonicContact CZ-OD1 3.48Å; R184-D281 IonicContact CZ-OD2 3.45Å; R184-D281 IonicContact NE-OD1 2.74Å; R184-D281 IonicContact NE-OD2 3.27Å; R184-D281 PolarHBondContact NE-OD2 3.3Å; R184-D281 IonicContact NH1-OD2 3.19Å; R184-D281 IonicContact NH2-OD1 3.31Å; R184-D281 PolarHBondContact NH2-OD1 2.97Å; R184-D281 IonicContact NH2-OD2 2.74Å; R184-L285 HydrophobicContact CB-CD1 4.15Å; R184-L285 HydrophobicContact CB-CD2 4.23Å
185I97.8Very high93.1Very high0 Ų025.4 Ų25.40%012%0.119CC..EExtended strand (participates in β ladder)trans-118.4115.3173.1-55.6171.1000107L62 V64 A179 V182 L187 L207 H210 K213 M214 R215L62-I185 HydrophobicContact CD2-CG1 4.39Å; L62-I185 HydrophobicContact CD2-CG2 4.39Å; L62-I185 CarbonylContact O-C 3.25Å; L62-I185 WeakPolarHBondContact O-CA 3.44Å; V64-I185 HydrophobicContact CG2-CG2 4.14Å; A179-I185 HydrophobicContact CB-CD1 3.86Å; V182-I185 HydrophobicContact CG2-CD1 4.34Å; V182-I185 HydrophobicContact CG2-CG1 3.69Å; I185-L187 HydrophobicContact CG2-CD2 3.93Å; I185-L207 HydrophobicContact CD1-CD2 4.36Å; I185-L207 HydrophobicContact CG2-CD1 4.32Å; I185-H210 HydrophobicContact CD1-CB 4.08Å; I185-K213 HydrophobicContact CD1-CB 4.36Å; I185-K213 HydrophobicContact CG1-CB 4.32Å; I185-K213 PolarHBondContact N-O 3.16Å; I185-M214 HydrophobicContact CB-CG 4.39Å; I185-M214 CarbonylContact O-C 3.55Å; I185-M214 WeakPolarHBondContact O-CA 3.4Å; I185-R215 PolarHBondContact O-N 2.69Å
186I98.3Very high92.8Very high0 Ų026.8 Ų26.80%013%0.126CC..EExtended strand (participates in β ladder)trans-100.8114.5176.7-54.2-176.5000108.3V61 L62 L63 V64 F74 R184 L188 R215 V217 L278 I282V61-I186 HydrophobicContact CG1-CD1 3.59Å; V61-I186 HydrophobicContact CG1-CG1 3.85Å; L62-I186 PolarHBondContact O-N 3.15Å; L63-I186 HydrophobicContact CD2-CB 3.65Å; L63-I186 HydrophobicContact CD2-CD1 3.83Å; L63-I186 HydrophobicContact CD2-CG1 4.06Å; L63-I186 HydrophobicContact CD2-CG2 4.25Å; V64-I186 PolarHBondContact N-O 3.36Å; F74-I186 HydrophobicContact CE1-CD1 3.93Å; F74-I186 HydrophobicContact CZ-CD1 4.11Å; R184-I186 HydrophobicContact CG-CG1 4.21Å; I186-L188 HydrophobicContact CB-CD1 4.16Å; I186-L188 HydrophobicContact CG2-CD1 3.55Å; I186-L188 HydrophobicContact CG2-CG 4.37Å; I186-R215 CarbonylContact C-O 3.31Å; I186-R215 WeakPolarHBondContact CA-O 3.41Å; I186-V217 HydrophobicContact CG2-CB 4.06Å; I186-V217 HydrophobicContact CG2-CG2 3.42Å; I186-V217 VanDerWaalsContact CG2-CG2 3.42Å; I186-L278 HydrophobicContact CD1-CD1 4.41Å; I186-I282 HydrophobicContact CD1-CD1 3.99Å
187L97.5Very high92.6Very high0 Ų026 Ų260%012%0.124CC..EExtended strand (participates in β ladder)trans-90.7108.2174.2-56-177.1000109.2V64 I185 F189 F200 I204 M214 R215 V216 V217V64-L187 HydrophobicContact CB-CD2 3.87Å; V64-L187 HydrophobicContact CG1-CD2 4.36Å; V64-L187 HydrophobicContact CG2-CD2 4.47Å; V64-L187 CarbonylContact O-C 3.53Å; V64-L187 WeakPolarHBondContact O-CA 3.22Å; I185-L187 HydrophobicContact CG2-CD2 3.93Å; L187-F189 HydrophobicContact CB-CE2 3.82Å; L187-F200 HydrophobicContact CD2-CE2 4.49Å; L187-I204 HydrophobicContact CD1-CG1 4.32Å; L187-M214 HydrophobicContact CD1-SD 4.07Å; L187-R215 PolarHBondContact N-O 3.34Å; L187-V216 HydrophobicContact CB-CG2 4.27Å; L187-V216 HydrophobicContact CD1-CG2 4.3Å; L187-V216 CarbonylContact O-C 3.57Å; L187-V216 WeakPolarHBondContact O-CA 3.35Å; L187-V217 PolarHBondContact O-N 2.95Å
188L97.3Very high92.3Very high0 Ų031.2 Ų31.20%015%0.153CC..EExtended strand (participates in β ladder)trans-92.5127.2-179.7-78.185.5000111.6L63 V64 K71 F74 I186 V217L63-L188 HydrophobicContact CB-CD1 4.25Å; L63-L188 HydrophobicContact CD2-CD1 4.08Å; V64-L188 PolarHBondContact O-N 3.09Å; K71-L188 HydrophobicContact CG-CB 4.46Å; K71-L188 HydrophobicContact CG-CD1 4.31Å; K71-L188 HydrophobicContact CG-CD2 4.26Å; F74-L188 HydrophobicContact CB-CD2 4.1Å; F74-L188 HydrophobicContact CD2-CD2 4.48Å; F74-L188 HydrophobicContact CG-CD2 4.36Å; I186-L188 HydrophobicContact CB-CD1 4.16Å; I186-L188 HydrophobicContact CG2-CD1 3.55Å; I186-L188 HydrophobicContact CG2-CG 4.37Å; L188-V217 WeakPolarHBondContact CA-O 3.46Å; L188-V217 HydrophobicContact CG-CB 4.28Å; L188-V217 HydrophobicContact CG-CG1 4.49Å
189F96.6Very high91.9Very high3 Ų331.8 Ų31.81%0.01316%0.155CC..EExtended strand (participates in β ladder)trans-118.8147.9171.8-63.9-93.7000110.1L187 L194 I196 F200 I204 V216 V217 L218 N219 L236 L240L187-F189 HydrophobicContact CB-CE2 3.82Å; F189-L194 HydrophobicContact CB-CD1 4.09Å; F189-L194 HydrophobicContact CD1-CD1 3.88Å; F189-L194 HydrophobicContact CG-CD1 4.3Å; F189-I196 HydrophobicContact CD1-CG1 4.42Å; F189-I196 HydrophobicContact CE1-CD1 3.74Å; F189-I196 HydrophobicContact CE1-CG1 3.82Å; F189-I196 HydrophobicContact CZ-CD1 4.34Å; F189-F200 AromaticContact CD1-CE1 3.99Å; F189-F200 HydrophobicContact CD1-CE1 3.99Å; F189-F200 AromaticContact CE1-CD1 3.99Å; F189-F200 HydrophobicContact CE1-CD1 3.99Å; F189-F200 AromaticContact CE1-CE1 3.28Å; F189-F200 HydrophobicContact CE1-CE1 3.28Å; F189-F200 HydrophobicContact CE1-CZ 4.06Å; F189-F200 HydrophobicContact CE2-CE1 4.29Å; F189-F200 HydrophobicContact CE2-CZ 4.31Å; F189-F200 HydrophobicContact CZ-CD1 4.4Å; F189-F200 AromaticContact CZ-CE1 3.47Å; F189-F200 HydrophobicContact CZ-CE1 3.47Å; F189-F200 VanDerWaalsContact CZ-CE1 3.47Å; F189-F200 AromaticContact CZ-CZ 3.76Å; F189-F200 HydrophobicContact CZ-CZ 3.76Å; F189-I204 HydrophobicContact CZ-CD1 4.35Å; F189-V216 HydrophobicContact CD2-CG1 3.7Å; F189-V216 HydrophobicContact CE2-CG1 3.83Å; F189-V217 PolarHBondContact N-O 3.29Å; F189-L218 HydrophobicContact CB-CD1 4.07Å; F189-N219 WeakPolarHBondContact O-CB 3.19Å; F189-N219 PolarHBondContact O-N 3.03Å; F189-L236 HydrophobicContact CD1-CD1 3.7Å; F189-L236 HydrophobicContact CD2-CD1 3.83Å; F189-L236 HydrophobicContact CD2-CD2 4.37Å; F189-L236 HydrophobicContact CE1-CD1 3.72Å; F189-L236 HydrophobicContact CE2-CD1 3.86Å; F189-L236 HydrophobicContact CG-CD1 3.75Å; F189-L236 HydrophobicContact CG-CD2 4.45Å; F189-L236 HydrophobicContact CZ-CD1 3.81Å; F189-L240 HydrophobicContact CZ-CD2 4.08Å
190D94.8Very high91.8Very high11 Ų1131.8 Ų31.86%0.05916%0.155CC..EExtended strand (participates in β ladder)trans-94.2121.8173.9-173.7-41000108.8T69 H192 K193 L194 K220T69-D190 HydrophobicContact CG2-CB 4.32Å; D190-H192 VanDerWaalsContact C-N 3.29Å; D190-H192 PolarHBondContact O-N 3.47Å; D190-H192 WeakPolarHBondContact OD1-CA 3.37Å; D190-H192 WeakPolarHBondContact OD1-CB 3.4Å; D190-H192 PolarHBondContact OD1-N 3.09Å; D190-K193 CarbonylContact O-C 3.54Å; D190-K193 VanDerWaalsContact O-C 3.31Å; D190-K193 PolarHBondContact O-N 2.85Å; D190-K193 PolarHBondContact OD1-N 3.45Å; D190-L194 WeakPolarHBondContact O-CA 3.24Å; D190-L194 PolarHBondContact O-N 3.47Å; D190-L194 VanDerWaalsContact O-N 3.08Å; D190-K220 WeakPolarHBondContact OD2-CD 3.38Å; D190-K220 VanDerWaalsContact OD2-CE 3.26Å; D190-K220 WeakPolarHBondContact OD2-CE 3.42Å; D190-K220 IonicContact OD2-NZ 2.71Å; D190-K220 PolarHBondContact OD2-NZ 2.96Å
191A94.4Very high91.9Very high1 Ų130 Ų301%0.00815%0.149CC..SBendtrans-66.6-30.3-178.100000113L218 N219 A221 I224A191-L218 HydrophobicContact CB-CD1 3.84Å; A191-L218 HydrophobicContact CB-CG 3.95Å; A191-N219 WeakPolarHBondContact CB-O 3.49Å; A191-N219 PolarHBondContact N-O 2.87Å; A191-A221 HydrophobicContact CB-CB 4.44Å; A191-I224 HydrophobicContact CB-CD1 3.79Å; A191-I224 HydrophobicContact CB-CG1 4.41Å
192H89.8Confident91.7Very high99 Ų9933.3 Ų33.346%0.45817%0.165SC..THydrogen-bonded Turntrans-78.3-34.2178.8-176.374.7000111.8D190 Q223 I224D190-H192 VanDerWaalsContact C-N 3.29Å; D190-H192 PolarHBondContact O-N 3.47Å; D190-H192 WeakPolarHBondContact OD1-CA 3.37Å; D190-H192 WeakPolarHBondContact OD1-CB 3.4Å; D190-H192 PolarHBondContact OD1-N 3.09Å; H192-Q223 HydrophobicContact CB-CB 4.34Å; H192-I224 HydrophobicContact CB-CG2 4.27Å
193K87.8Confident91.6Very high154 Ų15433.3 Ų33.367%0.6717%0.165SC*.THydrogen-bonded Turntrans-123.155.6-178.8-61.3-177.1-177.7178.40111.8D190 D195D190-K193 CarbonylContact O-C 3.54Å; D190-K193 VanDerWaalsContact O-C 3.31Å; D190-K193 PolarHBondContact O-N 2.85Å; D190-K193 PolarHBondContact OD1-N 3.45Å; K193-D195 PolarHBondContact O-N 3.01Å
194L87.8Confident91.5Very high49 Ų4933 Ų3326%0.25716%0.164SC..  trans-65111.3178.3-177.372.4000109.8F189 D190 V232 A235 L236F189-L194 HydrophobicContact CB-CD1 4.09Å; F189-L194 HydrophobicContact CD1-CD1 3.88Å; F189-L194 HydrophobicContact CG-CD1 4.3Å; D190-L194 WeakPolarHBondContact O-CA 3.24Å; D190-L194 PolarHBondContact O-N 3.47Å; D190-L194 VanDerWaalsContact O-N 3.08Å; L194-V232 HydrophobicContact CB-CG1 3.9Å; L194-V232 HydrophobicContact CD2-CG1 3.83Å; L194-V232 WeakPolarHBondContact CD2-O 3.44Å; L194-V232 HydrophobicContact CG-CG1 4.31Å; L194-A235 HydrophobicContact CD2-CB 3.95Å; L194-L236 HydrophobicContact CD1-CB 4.19Å; L194-L236 HydrophobicContact CD1-CD1 4Å; L194-L236 HydrophobicContact CD2-CB 3.99Å
195D84.9Confident91.2Very high85 Ų8538 Ų3846%0.45519%0.186SC..  trans-141.4147171.7-176.525.8000108.1Q66 K193Q66-D195 PolarHBondContact NE2-O 3.4Å; K193-D195 PolarHBondContact O-N 3.01Å
196I88.1Confident90.7Very high29 Ų2939.2 Ų39.215%0.14920%0.195CC..  trans-129.192.6172.3-45.4-166.6000106.9F189 F200 S201 I204 L236 I243F189-I196 HydrophobicContact CD1-CG1 4.42Å; F189-I196 HydrophobicContact CE1-CD1 3.74Å; F189-I196 HydrophobicContact CE1-CG1 3.82Å; F189-I196 HydrophobicContact CZ-CD1 4.34Å; I196-F200 HydrophobicContact CG2-CB 4.34Å; I196-F200 HydrophobicContact CG2-CD1 4.11Å; I196-F200 HydrophobicContact CG2-CG 4.44Å; I196-S201 WeakPolarHBondContact CG2-OG 3.46Å; I196-I204 HydrophobicContact CG2-CD1 4.41Å; I196-L236 HydrophobicContact CD1-CD1 4.2Å; I196-I243 HydrophobicContact CD1-CD1 4.41Å; I196-I243 HydrophobicContact CG2-CD1 3.87Å
197S87.4Confident90.3Very high13 Ų1339.2 Ų39.29%0.09120%0.195CC..  trans-62.2160.8178.360.70000112.1Q66 E199 F200 S201Q66-S197 VanDerWaalsContact OE1-CB 3.23Å; Q66-S197 PolarHBondContact OE1-OG 3.37Å; S197-E199 PolarHBondContact O-N 3.09Å; S197-F200 PolarHBondContact O-N 2.89Å; S197-F200 VanDerWaalsContact O-N 3.12Å; S197-F200 PolarHBondContact OG-N 3.3Å; S197-S201 PolarHBondContact O-N 3.4Å; S197-S201 PolarHBondContact O-OG 2.85Å; S197-S201 VanDerWaalsContact O-OG 3.09Å
198D85.6Confident89.6Confident124 Ų12443.2 Ų43.266%0.66321%0.213SC*.Hα-helixtrans-58.8-37.8176.4-65.3-38000111.8S201 E202D198-S201 WeakPolarHBondContact O-CB 3.34Å; D198-S201 PolarHBondContact O-N 2.74Å; D198-E202 WeakPolarHBondContact O-CG 3.39Å; D198-E202 PolarHBondContact O-N 2.87Å
199E85.6Confident88.9Confident11 Ų1148.3 Ų48.35%0.05124%0.24CC..Hα-helixtrans-65.9-42.1176.3-168.3-176.8146.400111.4I157 R164 R167 S197 S201 E202 V203I157-E199 HydrophobicContact CG2-CB 3.94Å; I157-E199 HydrophobicContact CG2-CG 3.86Å; R164-E199 HydrophobicContact CG-CG 4.49Å; R164-E199 VanDerWaalsContact CG-OE2 3.32Å; R164-E199 WeakPolarHBondContact CG-OE2 3.42Å; R164-E199 IonicContact NE-OE2 2.87Å; R164-E199 VanDerWaalsContact NH2-CA 3.26Å; R167-E199 IonicContact CZ-OE1 3.93Å; R167-E199 VanDerWaalsContact CZ-OE1 3.29Å; R167-E199 IonicContact NH1-OE1 2.72Å; R167-E199 PolarHBondContact NH1-OE1 3.38Å; R167-E199 IonicContact NH2-OE1 3.74Å; R167-E199 PolarHBondContact NH2-OE1 3.48Å; S197-E199 PolarHBondContact O-N 3.09Å; E199-S201 VanDerWaalsContact C-N 3.31Å; E199-S201 PolarHBondContact O-N 2.89Å; E199-E202 PolarHBondContact O-N 2.92Å; E199-V203 WeakPolarHBondContact O-CG2 3.43Å; E199-V203 PolarHBondContact O-N 3.18Å
200F90.6Very high88.5Confident0 Ų049.3 Ų49.30%025%0.245CC..Hα-helixtrans-66.3-38176.2-166.5-165.5000111.4V64 Q66 I157 L187 F189 I196 S197 E202 V203 I204V64-F200 HydrophobicContact CG1-CE2 3.94Å; Q66-F200 HydrophobicContact CG-CB 4.28Å; Q66-F200 HydrophobicContact CG-CD1 3.57Å; Q66-F200 HydrophobicContact CG-CE1 4.12Å; Q66-F200 HydrophobicContact CG-CG 4.15Å; I157-F200 HydrophobicContact CD1-CB 4.28Å; I157-F200 HydrophobicContact CD1-CD2 3.3Å; I157-F200 HydrophobicContact CD1-CE2 3.79Å; I157-F200 HydrophobicContact CD1-CG 3.96Å; I157-F200 HydrophobicContact CG2-CB 4.03Å; L187-F200 HydrophobicContact CD2-CE2 4.49Å; F189-F200 AromaticContact CD1-CE1 3.99Å; F189-F200 HydrophobicContact CD1-CE1 3.99Å; F189-F200 AromaticContact CE1-CD1 3.99Å; F189-F200 HydrophobicContact CE1-CD1 3.99Å; F189-F200 AromaticContact CE1-CE1 3.28Å; F189-F200 HydrophobicContact CE1-CE1 3.28Å; F189-F200 HydrophobicContact CE1-CZ 4.06Å; F189-F200 HydrophobicContact CE2-CE1 4.29Å; F189-F200 HydrophobicContact CE2-CZ 4.31Å; F189-F200 HydrophobicContact CZ-CD1 4.4Å; F189-F200 AromaticContact CZ-CE1 3.47Å; F189-F200 HydrophobicContact CZ-CE1 3.47Å; F189-F200 VanDerWaalsContact CZ-CE1 3.47Å; F189-F200 AromaticContact CZ-CZ 3.76Å; F189-F200 HydrophobicContact CZ-CZ 3.76Å; I196-F200 HydrophobicContact CG2-CB 4.34Å; I196-F200 HydrophobicContact CG2-CD1 4.11Å; I196-F200 HydrophobicContact CG2-CG 4.44Å; S197-F200 PolarHBondContact O-N 2.89Å; S197-F200 VanDerWaalsContact O-N 3.12Å; S197-F200 PolarHBondContact OG-N 3.3Å; F200-E202 PolarHBondContact O-N 2.91Å; F200-V203 HydrophobicContact CD2-CB 4.49Å; F200-V203 WeakPolarHBondContact O-CB 3.21Å; F200-V203 PolarHBondContact O-N 3.4Å; F200-I204 HydrophobicContact CD1-CD1 4.42Å; F200-I204 HydrophobicContact CD2-CD1 3.91Å; F200-I204 HydrophobicContact CD2-CG1 3.91Å; F200-I204 HydrophobicContact CE1-CD1 4.42Å; F200-I204 HydrophobicContact CE2-CD1 3.89Å; F200-I204 HydrophobicContact CE2-CG1 3.84Å; F200-I204 HydrophobicContact CG-CD1 4.2Å; F200-I204 HydrophobicContact CZ-CD1 4.16Å; F200-I204 VanDerWaalsContact O-CG1 3.29Å; F200-I204 WeakPolarHBondContact O-CG1 3.42Å; F200-I204 PolarHBondContact O-N 3.2Å
201S90.1Very high88.2Confident15 Ų1551.2 Ų51.211%0.10525%0.253CS..Hα-helixtrans-61.7-41.3173.7-62.50000112.4I196 S197 D198 E199 I204 K205 I243I196-S201 WeakPolarHBondContact CG2-OG 3.46Å; S197-S201 PolarHBondContact O-N 3.4Å; S197-S201 PolarHBondContact O-OG 2.85Å; S197-S201 VanDerWaalsContact O-OG 3.09Å; D198-S201 WeakPolarHBondContact O-CB 3.34Å; D198-S201 PolarHBondContact O-N 2.74Å; E199-S201 VanDerWaalsContact C-N 3.31Å; E199-S201 PolarHBondContact O-N 2.89Å; S201-I204 PolarHBondContact O-N 3.01Å; S201-K205 WeakPolarHBondContact O-CB 3.15Å; S201-K205 VanDerWaalsContact O-CG 3.24Å; S201-K205 WeakPolarHBondContact O-CG 3.47Å; S201-K205 PolarHBondContact O-N 3.38Å; S201-I243 WeakPolarHBondContact OG-CD1 3.27Å
202E87.8Confident87.9Confident88 Ų8854.8 Ų54.841%0.41127%0.272SS..Hα-helixtrans-61.9-43.2173.5-76.8168.9-156.100111.7R164 D198 E199 F200 K205 A206R164-E202 IonicContact CZ-OE1 3.42Å; R164-E202 VanDerWaalsContact CZ-OE1 3.28Å; R164-E202 IonicContact CZ-OE2 2.62Å; R164-E202 IonicContact NH1-OE1 2.71Å; R164-E202 PolarHBondContact NH1-OE1 3.02Å; R164-E202 IonicContact NH1-OE2 2.82Å; R164-E202 PolarHBondContact NH1-OE2 3.47Å; R164-E202 VanDerWaalsContact NH1-OE2 3.14Å; R164-E202 VanDerWaalsContact NH2-CD 3.3Å; R164-E202 IonicContact NH2-OE1 3.6Å; R164-E202 PolarHBondContact NH2-OE1 2.91Å; R164-E202 IonicContact NH2-OE2 3.69Å; R164-E202 PolarHBondContact NH2-OE2 3.38Å; D198-E202 WeakPolarHBondContact O-CG 3.39Å; D198-E202 PolarHBondContact O-N 2.87Å; E199-E202 PolarHBondContact O-N 2.92Å; F200-E202 PolarHBondContact O-N 2.91Å; E202-K205 WeakPolarHBondContact O-CB 3.31Å; E202-K205 PolarHBondContact O-N 3.1Å; E202-A206 PolarHBondContact O-N 3.43Å
203V91.1Very high88.1Confident2 Ų250.3 Ų50.31%0.01225%0.251CS..Hα-helixtrans-61.7-49.1175.4166.20000111.2V64 I157 F171 A172 L175 E199 F200 K205 A206 L207V64-V203 HydrophobicContact CG1-CG1 3.96Å; I157-V203 HydrophobicContact CD1-CB 4.24Å; I157-V203 HydrophobicContact CD1-CG1 4.14Å; I157-V203 HydrophobicContact CD1-CG2 4.15Å; F171-V203 HydrophobicContact CD1-CG2 3.94Å; F171-V203 HydrophobicContact CE1-CG2 3.99Å; A172-V203 HydrophobicContact CB-CG2 4.48Å; L175-V203 HydrophobicContact CD1-CB 4.34Å; L175-V203 HydrophobicContact CD1-CG1 3.31Å; L175-V203 HydrophobicContact CD1-CG2 4.04Å; E199-V203 WeakPolarHBondContact O-CG2 3.43Å; E199-V203 PolarHBondContact O-N 3.18Å; F200-V203 HydrophobicContact CD2-CB 4.49Å; F200-V203 WeakPolarHBondContact O-CB 3.21Å; F200-V203 PolarHBondContact O-N 3.4Å; V203-K205 VanDerWaalsContact C-N 3.26Å; V203-K205 PolarHBondContact O-N 2.82Å; V203-A206 WeakPolarHBondContact O-CB 3.41Å; V203-A206 PolarHBondContact O-N 3.16Å; V203-L207 HydrophobicContact CG1-CD1 4Å; V203-L207 VanDerWaalsContact O-CG 3.28Å; V203-L207 WeakPolarHBondContact O-CG 3.19Å; V203-L207 PolarHBondContact O-N 3.31Å; V203-L207 VanDerWaalsContact O-N 3.07Å
204I92.6Very high88.4Confident0 Ų043 Ų430%022%0.22CC..Hα-helixtrans-60.6-39.5178.6-64.7164.2000110.4L187 F189 I196 F200 S201 A206 L207 K208 L240 I243 V244L187-I204 HydrophobicContact CD1-CG1 4.32Å; F189-I204 HydrophobicContact CZ-CD1 4.35Å; I196-I204 HydrophobicContact CG2-CD1 4.41Å; F200-I204 HydrophobicContact CD1-CD1 4.42Å; F200-I204 HydrophobicContact CD2-CD1 3.91Å; F200-I204 HydrophobicContact CD2-CG1 3.91Å; F200-I204 HydrophobicContact CE1-CD1 4.42Å; F200-I204 HydrophobicContact CE2-CD1 3.89Å; F200-I204 HydrophobicContact CE2-CG1 3.84Å; F200-I204 HydrophobicContact CG-CD1 4.2Å; F200-I204 HydrophobicContact CZ-CD1 4.16Å; F200-I204 VanDerWaalsContact O-CG1 3.29Å; F200-I204 WeakPolarHBondContact O-CG1 3.42Å; F200-I204 PolarHBondContact O-N 3.2Å; S201-I204 PolarHBondContact O-N 3.01Å; I204-A206 PolarHBondContact O-N 3.22Å; I204-L207 PolarHBondContact O-N 3.12Å; I204-L207 VanDerWaalsContact O-N 3.16Å; I204-K208 PolarHBondContact O-N 3.47Å; I204-L240 HydrophobicContact CD1-CD2 4.16Å; I204-I243 HydrophobicContact CB-CG2 3.81Å; I204-I243 HydrophobicContact CG2-CG2 3.59Å; I204-V244 HydrophobicContact CG2-CG2 3.84Å
205K88.9Confident88.9Confident114 Ų11443.1 Ų43.150%0.49622%0.217SC..Hα-helixtrans-63.6-37.7174.1-74.5169.4-174.8173.70112.9S201 E202 V203 L207 K208 I243S201-K205 WeakPolarHBondContact O-CB 3.15Å; S201-K205 VanDerWaalsContact O-CG 3.24Å; S201-K205 WeakPolarHBondContact O-CG 3.47Å; S201-K205 PolarHBondContact O-N 3.38Å; E202-K205 WeakPolarHBondContact O-CB 3.31Å; E202-K205 PolarHBondContact O-N 3.1Å; V203-K205 VanDerWaalsContact C-N 3.26Å; V203-K205 PolarHBondContact O-N 2.82Å; K205-L207 PolarHBondContact O-N 3.35Å; K205-K208 WeakPolarHBondContact O-CB 3.35Å; K205-K208 WeakPolarHBondContact O-CD 3.43Å; K205-K208 WeakPolarHBondContact O-CG 3.4Å; K205-K208 PolarHBondContact O-N 3.44Å; K205-I243 HydrophobicContact CG-CG2 3.93Å
206A86.9Confident89.5Confident25 Ų2539.1 Ų39.121%0.20720%0.195CC..Hα-helixtrans-64.7-31.4175.100000111.6A172 E202 V203 I204A172-A206 HydrophobicContact CB-CB 4.48Å; E202-A206 PolarHBondContact O-N 3.43Å; V203-A206 WeakPolarHBondContact O-CB 3.41Å; V203-A206 PolarHBondContact O-N 3.16Å; I204-A206 PolarHBondContact O-N 3.22Å
207L90.1Very high90Very high0 Ų037.7 Ų37.70%019%0.188CC..THydrogen-bonded Turntrans-86.4-3.8-179.8-59.4173.7000114.1L175 A179 I185 V203 I204 K205 N209 H210 M214L175-L207 HydrophobicContact CB-CD2 4.41Å; A179-L207 HydrophobicContact CB-CD2 3.36Å; I185-L207 HydrophobicContact CD1-CD2 4.36Å; I185-L207 HydrophobicContact CG2-CD1 4.32Å; V203-L207 HydrophobicContact CG1-CD1 4Å; V203-L207 VanDerWaalsContact O-CG 3.28Å; V203-L207 WeakPolarHBondContact O-CG 3.19Å; V203-L207 PolarHBondContact O-N 3.31Å; V203-L207 VanDerWaalsContact O-N 3.07Å; I204-L207 PolarHBondContact O-N 3.12Å; I204-L207 VanDerWaalsContact O-N 3.16Å; K205-L207 PolarHBondContact O-N 3.35Å; L207-N209 PolarHBondContact O-N 3.25Å; L207-H210 WeakPolarHBondContact O-CA 3.35Å; L207-H210 WeakPolarHBondContact O-CB 3.42Å; L207-H210 PolarHBondContact O-N 2.97Å; L207-M214 VanDerWaalsContact C-CE 3.45Å; L207-M214 HydrophobicContact CB-CE 3.17Å; L207-M214 HydrophobicContact CD1-CE 4.39Å; L207-M214 HydrophobicContact CG-CE 4.4Å; L207-M214 WeakPolarHBondContact O-CE 3.3Å
208K83.3Confident90.5Very high85 Ų8537.1 Ų37.137%0.3718%0.184SC..G310 helixtrans-53.9-31.9-17174-176.8-175.7167.10115I204 K205 H210 E211I204-K208 PolarHBondContact O-N 3.47Å; K205-K208 WeakPolarHBondContact O-CB 3.35Å; K205-K208 WeakPolarHBondContact O-CD 3.43Å; K205-K208 WeakPolarHBondContact O-CG 3.4Å; K205-K208 PolarHBondContact O-N 3.44Å; K208-H210 PolarHBondContact O-N 3.45Å; K208-H210 VanDerWaalsContact O-N 3.13Å; K208-E211 PolarHBondContact O-N 3.47Å
209N81.9Confident91Very high107 Ų10731.2 Ų31.257%0.57215%0.152SC*.G310 helixtrans-74.6-0.2-180-62.6-24.3000112.9L207L207-N209 PolarHBondContact O-N 3.25Å
210H88.1Confident91.5Very high24 Ų2432.4 Ų32.411%0.11116%0.157CC..G310 helixtrans-125.326-179.4-53.7-70.9000111.4A179 I185 L207 K208 D212 K213 M214A179-H210 HydrophobicContact CB-CB 4.43Å; I185-H210 HydrophobicContact CD1-CB 4.08Å; L207-H210 WeakPolarHBondContact O-CA 3.35Å; L207-H210 WeakPolarHBondContact O-CB 3.42Å; L207-H210 PolarHBondContact O-N 2.97Å; K208-H210 PolarHBondContact O-N 3.45Å; K208-H210 VanDerWaalsContact O-N 3.13Å; H210-D212 PolarHBondContact O-N 3.4Å; H210-K213 HydrophobicContact CB-CD 4.32Å; H210-K213 WeakPolarHBondContact O-CB 3.43Å; H210-K213 PolarHBondContact O-N 2.82Å; H210-M214 PolarHBondContact O-N 3.42Å
211E88.8Confident91.8Very high50 Ų5032.4 Ų32.423%0.23416%0.157CC..G310 helixtrans-58.9-29.5179.963-174.4-153.500113.4K208 K213 M214 V244 T246K208-E211 PolarHBondContact O-N 3.47Å; E211-K213 PolarHBondContact O-N 3.39Å; E211-M214 HydrophobicContact CB-SD 4.5Å; E211-M214 WeakPolarHBondContact O-CB 3.48Å; E211-M214 PolarHBondContact O-N 3.06Å; E211-V244 HydrophobicContact CB-CG1 4.3Å; E211-V244 VanDerWaalsContact OE2-CG1 3.31Å; E211-V244 WeakPolarHBondContact OE2-CG1 3.48Å; E211-T246 VanDerWaalsContact OE1-CB 3.31Å; E211-T246 WeakPolarHBondContact OE1-CB 3.4Å; E211-T246 PolarHBondContact OE1-OG1 3.32Å; E211-T246 WeakPolarHBondContact OE2-CB 3.45Å; E211-T246 VanDerWaalsContact OE2-CG2 3.28Å; E211-T246 WeakPolarHBondContact OE2-CG2 3.32Å; E211-T246 PolarHBondContact OE2-OG1 3.31Å
212D89Confident92Very high76 Ų7631.7 Ų31.741%0.40615%0.152SC..G310 helixtrans-61.2-27.7174.360.4-47.8000112.9H210 R215 K299H210-D212 PolarHBondContact O-N 3.4Å; D212-R215 PolarHBondContact O-NH1 3.34Å; D212-K299 VanDerWaalsContact CG-NZ 3.33Å; D212-K299 IonicContact OD1-NZ 2.86Å; D212-K299 PolarHBondContact OD1-NZ 3.12Å; D212-K299 VanDerWaalsContact OD1-NZ 3.14Å; D212-K299 IonicContact OD2-NZ 3.75Å; D212-K299 PolarHBondContact OD2-NZ 3.09Å
213K92.9Very high92.3Very high5 Ų530.4 Ų30.42%0.02215%0.146CC..G310 helixtrans-87.5-12.9176.9-52.9-175.5177.5-170.40112.6A179 V182 R184 I185 H210 E211 D296A179-K213 PolarHBondContact O-NZ 3.2Å; V182-K213 WeakPolarHBondContact O-CD 3.25Å; V182-K213 WeakPolarHBondContact O-CE 3.48Å; V182-K213 PolarHBondContact O-NZ 3.42Å; R184-K213 WeakPolarHBondContact CD-O 3.33Å; I185-K213 HydrophobicContact CD1-CB 4.36Å; I185-K213 HydrophobicContact CG1-CB 4.32Å; I185-K213 PolarHBondContact N-O 3.16Å; H210-K213 HydrophobicContact CB-CD 4.32Å; H210-K213 WeakPolarHBondContact O-CB 3.43Å; H210-K213 PolarHBondContact O-N 2.82Å; E211-K213 PolarHBondContact O-N 3.39Å; K213-D296 WeakPolarHBondContact CE-OD1 3.36Å; K213-D296 IonicContact NZ-OD1 3.14Å; K213-D296 PolarHBondContact NZ-OD1 2.95Å; K213-D296 IonicContact NZ-OD2 3.21Å; K213-D296 PolarHBondContact NZ-OD2 3.33Å
214M95.4Very high92.5Very high0 Ų030.5 Ų30.50%015%0.147CC..EExtended strand (participates in β ladder)trans-78.5138-175-68-176.7-176.200112.6I185 L187 L207 H210 E211 I250I185-M214 HydrophobicContact CB-CG 4.39Å; I185-M214 CarbonylContact O-C 3.55Å; I185-M214 WeakPolarHBondContact O-CA 3.4Å; L187-M214 HydrophobicContact CD1-SD 4.07Å; L207-M214 VanDerWaalsContact C-CE 3.45Å; L207-M214 HydrophobicContact CB-CE 3.17Å; L207-M214 HydrophobicContact CD1-CE 4.39Å; L207-M214 HydrophobicContact CG-CE 4.4Å; L207-M214 WeakPolarHBondContact O-CE 3.3Å; H210-M214 PolarHBondContact O-N 3.42Å; E211-M214 HydrophobicContact CB-SD 4.5Å; E211-M214 WeakPolarHBondContact O-CB 3.48Å; E211-M214 PolarHBondContact O-N 3.06Å; M214-I250 HydrophobicContact CB-CD1 4.37Å; M214-I250 HydrophobicContact CB-CG2 4.28Å; M214-I250 HydrophobicContact SD-CD1 4.07Å
215R96.8Very high92.5Very high53 Ų5336.5 Ų36.520%0.218%0.175CC..EExtended strand (participates in β ladder)trans-132.8139.9165.5-66.1-59.8179.5-996.9108.2R184 I185 I186 L187 D212 Y253 D281R184-R215 HydrophobicContact CG-CG 4.47Å; R184-R215 VanDerWaalsContact NH1-CZ 3.33Å; R184-R215 VanDerWaalsContact NH1-NH2 3.15Å; I185-R215 PolarHBondContact O-N 2.69Å; I186-R215 CarbonylContact C-O 3.31Å; I186-R215 WeakPolarHBondContact CA-O 3.41Å; L187-R215 PolarHBondContact N-O 3.34Å; D212-R215 PolarHBondContact O-NH1 3.34Å; R215-Y253 HydrophobicContact CB-CD2 4.31Å; R215-Y253 HydrophobicContact CB-CE2 3.81Å; R215-Y253 HydrophobicContact CG-CE2 3.88Å; R215-D281 WeakPolarHBondContact CG-OD2 3.34Å; R215-D281 IonicContact CZ-OD2 3.93Å; R215-D281 IonicContact NE-OD2 3.15Å; R215-D281 PolarHBondContact NE-OD2 2.92Å; R215-D281 IonicContact NH2-OD1 2.69Å; R215-D281 IonicContact NH2-OD2 2.83Å
216V97.8Very high92.7Very high0 Ų033.4 Ų33.40%017%0.166CC..EExtended strand (participates in β ladder)trans-103.3137.3178.9175.20000107.9L187 F189 L236 L240 I250 R251 V252 Y253L187-V216 HydrophobicContact CB-CG2 4.27Å; L187-V216 HydrophobicContact CD1-CG2 4.3Å; L187-V216 CarbonylContact O-C 3.57Å; L187-V216 WeakPolarHBondContact O-CA 3.35Å; F189-V216 HydrophobicContact CD2-CG1 3.7Å; F189-V216 HydrophobicContact CE2-CG1 3.83Å; V216-L236 HydrophobicContact CG1-CD2 3.86Å; V216-L240 HydrophobicContact CB-CD1 4.49Å; V216-L240 HydrophobicContact CG1-CD1 4.19Å; V216-L240 HydrophobicContact CG2-CD1 3.64Å; V216-I250 HydrophobicContact CG2-CB 4.48Å; V216-I250 HydrophobicContact CG2-CG2 3.71Å; V216-R251 PolarHBondContact N-O 2.93Å; V216-V252 HydrophobicContact CB-CB 4.31Å; V216-V252 HydrophobicContact CB-CG1 4.46Å; V216-V252 HydrophobicContact CB-CG2 3.87Å; V216-V252 HydrophobicContact CG1-CB 4.36Å; V216-V252 HydrophobicContact CG1-CG1 4.05Å; V216-V252 HydrophobicContact CG1-CG2 3.91Å; V216-V252 CarbonylContact O-C 3.16Å; V216-V252 VanDerWaalsContact O-CA 3.29Å; V216-V252 WeakPolarHBondContact O-CA 3.48Å; V216-Y253 WeakPolarHBondContact O-CD2 3.31Å; V216-Y253 PolarHBondContact O-N 3.42Å
217V98.4Very high93Very high0 Ų038.9 Ų38.90%019%0.187CC..EExtended strand (participates in β ladder)trans-120.4114.1173.8171.40000107.6I186 L187 L188 F189 N219 Y253 F257 L278I186-V217 HydrophobicContact CG2-CB 4.06Å; I186-V217 HydrophobicContact CG2-CG2 3.42Å; I186-V217 VanDerWaalsContact CG2-CG2 3.42Å; L187-V217 PolarHBondContact O-N 2.95Å; L188-V217 WeakPolarHBondContact CA-O 3.46Å; L188-V217 HydrophobicContact CG-CB 4.28Å; L188-V217 HydrophobicContact CG-CG1 4.49Å; F189-V217 PolarHBondContact N-O 3.29Å; V217-N219 HydrophobicContact CG1-CB 4.22Å; V217-N219 PolarHBondContact O-N 3.03Å; V217-Y253 CarbonylContact C-O 3.56Å; V217-Y253 WeakPolarHBondContact CA-O 3.34Å; V217-Y253 HydrophobicContact CG2-CD2 4.33Å; V217-F257 HydrophobicContact CG1-CD2 3.62Å; V217-F257 HydrophobicContact CG1-CE2 3.33Å; V217-F257 HydrophobicContact CG1-CZ 4.12Å; V217-L278 HydrophobicContact CG2-CD1 4.48Å; V217-L278 HydrophobicContact CG2-CD2 3.74Å
218L97.9Very high93.2Very high0 Ų043 Ų430%021%0.206CC..EExtended strand (participates in β ladder)trans-8989.1170.7-175.358.4000107.8F189 A191 L229 V232 L236 V252 Y253 I254 G255F189-L218 HydrophobicContact CB-CD1 4.07Å; A191-L218 HydrophobicContact CB-CD1 3.84Å; A191-L218 HydrophobicContact CB-CG 3.95Å; L218-L229 HydrophobicContact CD2-CD1 4.04Å; L218-V232 HydrophobicContact CD1-CG1 4.09Å; L218-V232 HydrophobicContact CD2-CG1 4.2Å; L218-L236 HydrophobicContact CB-CD2 4.38Å; L218-L236 HydrophobicContact CD1-CD2 4.16Å; L218-V252 HydrophobicContact CB-CG1 4.04Å; L218-Y253 PolarHBondContact N-O 3.23Å; L218-I254 HydrophobicContact CB-CG1 4.48Å; L218-G255 PolarHBondContact O-N 3.06Å; L218-G255 VanDerWaalsContact O-N 3.14Å
219N97.3Very high93.8Very high1 Ų139 Ų391%0.00519%0.189CC..EExtended strand (participates in β ladder)trans-81.7161.8-174.1-16114.6000111.5T69 F189 A191 V217 A221 G255 F257T69-N219 PolarHBondContact O-ND2 3.48Å; F189-N219 WeakPolarHBondContact O-CB 3.19Å; F189-N219 PolarHBondContact O-N 3.03Å; A191-N219 WeakPolarHBondContact CB-O 3.49Å; A191-N219 PolarHBondContact N-O 2.87Å; V217-N219 HydrophobicContact CG1-CB 4.22Å; V217-N219 PolarHBondContact O-N 3.03Å; N219-A221 PolarHBondContact O-N 3.1Å; N219-G255 CarbonylContact C-O 3.56Å; N219-G255 VanDerWaalsContact C-O 3.29Å; N219-G255 VanDerWaalsContact CA-O 3.25Å; N219-G255 WeakPolarHBondContact CA-O 3.44Å; N219-F257 PolarHBondContact OD1-N 3.15Å; N219-F257 VanDerWaalsContact OD1-N 3.11Å
220K95.9Very high94.4Very high35 Ų3538.5 Ų38.515%0.15218%0.184CC..  trans62.428.7179.2-34.5-150.2-174.8147.60113.6S68 D190 D222 Q223 G255 S256 W258S68-K220 WeakPolarHBondContact O-CE 3.35Å; S68-K220 PolarHBondContact O-NZ 3.43Å; D190-K220 WeakPolarHBondContact OD2-CD 3.38Å; D190-K220 VanDerWaalsContact OD2-CE 3.26Å; D190-K220 WeakPolarHBondContact OD2-CE 3.42Å; D190-K220 IonicContact OD2-NZ 2.71Å; D190-K220 PolarHBondContact OD2-NZ 2.96Å; K220-D222 PolarHBondContact O-N 3.25Å; K220-Q223 HydrophobicContact CB-CG 3.99Å; K220-Q223 WeakPolarHBondContact O-CB 3.5Å; K220-Q223 WeakPolarHBondContact O-CG 3.39Å; K220-Q223 PolarHBondContact O-N 3.45Å; K220-Q223 VanDerWaalsContact O-N 3.14Å; K220-G255 PolarHBondContact N-O 3.46Å; K220-S256 VanDerWaalsContact CA-OG 3.29Å; K220-S256 WeakPolarHBondContact CA-OG 3.44Å; K220-W258 HydrophobicContact CB-CH2 3.78Å; K220-W258 HydrophobicContact CB-CZ3 4.01Å; K220-W258 HydrophobicContact CD-CH2 4.07Å; K220-W258 HydrophobicContact CD-CZ3 3.77Å; K220-W258 HydrophobicContact CG-CH2 3.9Å; K220-W258 HydrophobicContact CG-CZ3 3.6Å
221A96.4Very high94.7Very high0 Ų046.4 Ų46.40%021%0.213CC..G310 helixtrans-64.4-23.5-176.900000112.9A191 N219 Q223 I224 L229 I254 G255 S256 F271A191-A221 HydrophobicContact CB-CB 4.44Å; N219-A221 PolarHBondContact O-N 3.1Å; A221-Q223 PolarHBondContact O-N 2.93Å; A221-I224 WeakPolarHBondContact O-CG1 3.5Å; A221-L229 HydrophobicContact CB-CD1 3.88Å; A221-I254 HydrophobicContact CB-CG2 3.6Å; A221-G255 PolarHBondContact N-O 3.23Å; A221-S256 PolarHBondContact N-OG 2.97Å; A221-F271 HydrophobicContact CB-CD1 4.23Å; A221-F271 HydrophobicContact CB-CE1 3.48Å; A221-F271 VanDerWaalsContact CB-CE1 3.48Å; A221-F271 HydrophobicContact CB-CZ 3.73Å
222D93.8Very high95.1Very high0 Ų044.8 Ų44.80%021%0.207CC..G310 helixtrans-69.7-8.4174.977-50.4000114.5K220 I224 S256 W258 L262 L263 I264 F271K220-D222 PolarHBondContact O-N 3.25Å; D222-I224 VanDerWaalsContact C-N 3.34Å; D222-S256 PolarHBondContact N-OG 3.11Å; D222-S256 WeakPolarHBondContact OD1-CB 3.32Å; D222-S256 PolarHBondContact OD1-OG 3Å; D222-W258 WeakPolarHBondContact OD1-CH2 3.31Å; D222-W258 WeakPolarHBondContact OD1-CZ2 3.32Å; D222-L262 HydrophobicContact CB-CB 4.23Å; D222-L262 HydrophobicContact CB-CD2 3.75Å; D222-L262 WeakPolarHBondContact OD2-CA 3.3Å; D222-L263 PolarHBondContact OD2-N 3.49Å; D222-I264 VanDerWaalsContact O-CB 3.27Å; D222-I264 WeakPolarHBondContact O-CB 3.43Å; D222-I264 WeakPolarHBondContact O-CG1 3.06Å; D222-I264 PolarHBondContact O-N 2.97Å; D222-F271 HydrophobicContact CB-CE2 3.87Å
223Q94.4Very high95.4Very high62 Ų6245 Ų4529%0.2920%0.202SC..G310 helixtrans-88.2-2.3-179.7-53-165.3-14.800113.6H192 K220 A221 W258 L263H192-Q223 HydrophobicContact CB-CB 4.34Å; K220-Q223 HydrophobicContact CB-CG 3.99Å; K220-Q223 WeakPolarHBondContact O-CB 3.5Å; K220-Q223 WeakPolarHBondContact O-CG 3.39Å; K220-Q223 PolarHBondContact O-N 3.45Å; K220-Q223 VanDerWaalsContact O-N 3.14Å; A221-Q223 PolarHBondContact O-N 2.93Å; Q223-W258 HydrophobicContact CG-CH2 4.37Å; Q223-L263 HydrophobicContact CB-CD1 4.5Å; Q223-L263 HydrophobicContact CG-CD1 4Å
224I95.2Very high95.5Very high3 Ų346.6 Ų46.62%0.01522%0.22CC..SBendtrans-135.1151.3-176.760.1173.7000110.8A191 H192 A221 D222 Q228 L229 V232A191-I224 HydrophobicContact CB-CD1 3.79Å; A191-I224 HydrophobicContact CB-CG1 4.41Å; H192-I224 HydrophobicContact CB-CG2 4.27Å; A221-I224 WeakPolarHBondContact O-CG1 3.5Å; D222-I224 VanDerWaalsContact C-N 3.34Å; I224-Q228 HydrophobicContact CB-CB 4.26Å; I224-Q228 HydrophobicContact CB-CG 4.14Å; I224-Q228 HydrophobicContact CD1-CG 4.26Å; I224-Q228 HydrophobicContact CG2-CG 4.34Å; I224-L229 HydrophobicContact CD1-CB 3.92Å; I224-L229 HydrophobicContact CD1-CD1 3.93Å; I224-L229 HydrophobicContact CG1-CB 4.17Å; I224-L229 HydrophobicContact CG1-CD1 4.42Å; I224-V232 HydrophobicContact CD1-CB 4.41Å; I224-V232 HydrophobicContact CD1-CG2 4.12Å
225E93.9Very high95.5Very high126 Ų12648.7 Ų48.759%0.58924%0.237SC*.  trans-69.9157.6177.4-63.7176.2-175.200111.8Q227 Q228 L229 I264E225-Q227 VanDerWaalsContact C-N 3.3Å; E225-Q227 PolarHBondContact O-N 3.44Å; E225-Q227 VanDerWaalsContact O-N 3.17Å; E225-Q228 WeakPolarHBondContact O-CB 3.49Å; E225-Q228 PolarHBondContact O-N 3.08Å; E225-L229 PolarHBondContact O-N 3.38Å; E225-I264 HydrophobicContact CG-CD1 4.3Å
226T92.1Very high95.4Very high50 Ų5046.1 Ų46.131%0.30723%0.228SC..Hα-helixtrans-50.7-43.8-178.6-51.40000113.6L229 M230 N267T226-L229 WeakPolarHBondContact O-CB 3.48Å; T226-L229 PolarHBondContact O-N 3.4Å; T226-M230 WeakPolarHBondContact O-CG 3.36Å; T226-M230 PolarHBondContact O-N 3.03Å; T226-M230 VanDerWaalsContact O-N 3.11Å; T226-N267 WeakPolarHBondContact CG2-OD1 3.48Å; T226-N267 PolarHBondContact OG1-ND2 3.38Å; T226-N267 PolarHBondContact OG1-OD1 3.35Å
227Q92.8Very high95.2Very high140 Ų14048.2 Ų48.265%0.65424%0.238SC*.Hα-helixtrans-66.9-39.4179.8-66.1-170.48.500112.3E225 R231E225-Q227 VanDerWaalsContact C-N 3.3Å; E225-Q227 PolarHBondContact O-N 3.44Å; E225-Q227 VanDerWaalsContact O-N 3.17Å; Q227-R231 WeakPolarHBondContact O-CG 3.27Å; Q227-R231 PolarHBondContact O-N 2.98Å
228Q94.9Very high94.9Very high87 Ų8756.6 Ų56.641%0.40727%0.27SS..Hα-helixtrans-67.9-40.3176.4-175.6174.1-0.600110.5I224 E225 M230 R231 V232I224-Q228 HydrophobicContact CB-CB 4.26Å; I224-Q228 HydrophobicContact CB-CG 4.14Å; I224-Q228 HydrophobicContact CD1-CG 4.26Å; I224-Q228 HydrophobicContact CG2-CG 4.34Å; E225-Q228 WeakPolarHBondContact O-CB 3.49Å; E225-Q228 PolarHBondContact O-N 3.08Å; Q228-M230 VanDerWaalsContact C-N 3.34Å; Q228-M230 PolarHBondContact O-N 3.31Å; Q228-R231 WeakPolarHBondContact O-CB 3.47Å; Q228-R231 PolarHBondContact O-N 3.47Å; Q228-R231 VanDerWaalsContact O-N 3.12Å; Q228-V232 HydrophobicContact CG-CG2 4.3Å; Q228-V232 WeakPolarHBondContact O-CG2 3.24Å; Q228-V232 PolarHBondContact O-N 2.67Å
229L95.5Very high94.6Very high0 Ų058.5 Ų58.50%028%0.283CS..Hα-helixtrans-56.1-45.9175.7-179.361.4000112L218 A221 I224 E225 T226 R231 V232 Y233 I254 F271L218-L229 HydrophobicContact CD2-CD1 4.04Å; A221-L229 HydrophobicContact CB-CD1 3.88Å; I224-L229 HydrophobicContact CD1-CB 3.92Å; I224-L229 HydrophobicContact CD1-CD1 3.93Å; I224-L229 HydrophobicContact CG1-CB 4.17Å; I224-L229 HydrophobicContact CG1-CD1 4.42Å; E225-L229 PolarHBondContact O-N 3.38Å; T226-L229 WeakPolarHBondContact O-CB 3.48Å; T226-L229 PolarHBondContact O-N 3.4Å; L229-R231 VanDerWaalsContact C-N 3.32Å; L229-R231 PolarHBondContact O-N 3.31Å; L229-V232 PolarHBondContact O-N 2.79Å; L229-Y233 VanDerWaalsContact O-CB 3.3Å; L229-Y233 WeakPolarHBondContact O-CB 3.45Å; L229-Y233 PolarHBondContact O-N 3.19Å; L229-I254 HydrophobicContact CD1-CG2 3.87Å; L229-I254 HydrophobicContact CD2-CG2 4.08Å; L229-I254 HydrophobicContact CG-CG2 4.43Å; L229-F271 HydrophobicContact CD2-CE1 4.03Å; L229-F271 HydrophobicContact CD2-CZ 4.43Å
230M94.4Very high94.4Very high96 Ų9658.8 Ų58.847%0.47328%0.284SS..Hα-helixtrans-63.9-35.7177.5-65.1-59133.300112.9T226 Q228 G234T226-M230 WeakPolarHBondContact O-CG 3.36Å; T226-M230 PolarHBondContact O-N 3.03Å; T226-M230 VanDerWaalsContact O-N 3.11Å; Q228-M230 VanDerWaalsContact C-N 3.34Å; Q228-M230 PolarHBondContact O-N 3.31Å; M230-G234 PolarHBondContact O-N 3.34Å
231R95.4Very high94.1Very high190 Ų19059.2 Ų59.272%0.71730%0.299SS*.Hα-helixtrans-67.6-45175.2-68.5176.8-176.51764.1111.8Q227 Q228 L229 G234 A235Q227-R231 WeakPolarHBondContact O-CG 3.27Å; Q227-R231 PolarHBondContact O-N 2.98Å; Q228-R231 WeakPolarHBondContact O-CB 3.47Å; Q228-R231 PolarHBondContact O-N 3.47Å; Q228-R231 VanDerWaalsContact O-N 3.12Å; L229-R231 VanDerWaalsContact C-N 3.32Å; L229-R231 PolarHBondContact O-N 3.31Å; R231-G234 PolarHBondContact O-N 3.36Å; R231-A235 WeakPolarHBondContact O-CB 3.37Å; R231-A235 PolarHBondContact O-N 2.91Å
232V96.3Very high93.7Very high17 Ų1765.9 Ų65.910%0.10333%0.328CS..Hα-helixtrans-63.2-46.5178170.70000110.4L194 L218 I224 Q228 L229 G234 A235 L236L194-V232 HydrophobicContact CB-CG1 3.9Å; L194-V232 HydrophobicContact CD2-CG1 3.83Å; L194-V232 WeakPolarHBondContact CD2-O 3.44Å; L194-V232 HydrophobicContact CG-CG1 4.31Å; L218-V232 HydrophobicContact CD1-CG1 4.09Å; L218-V232 HydrophobicContact CD2-CG1 4.2Å; I224-V232 HydrophobicContact CD1-CB 4.41Å; I224-V232 HydrophobicContact CD1-CG2 4.12Å; Q228-V232 HydrophobicContact CG-CG2 4.3Å; Q228-V232 WeakPolarHBondContact O-CG2 3.24Å; Q228-V232 PolarHBondContact O-N 2.67Å; L229-V232 PolarHBondContact O-N 2.79Å; V232-G234 PolarHBondContact O-N 2.87Å; V232-A235 PolarHBondContact O-N 3.44Å; V232-L236 WeakPolarHBondContact O-CB 3.46Å; V232-L236 PolarHBondContact O-N 2.86Å
233Y95.4Very high93.6Very high80 Ų8067 Ų6731%0.31433%0.334SS..Hα-helixtrans-57.1-49.1175.3177.8-100.5000111.9L229 A235 L236 M237 V252 I254L229-Y233 VanDerWaalsContact O-CB 3.3Å; L229-Y233 WeakPolarHBondContact O-CB 3.45Å; L229-Y233 PolarHBondContact O-N 3.19Å; Y233-A235 VanDerWaalsContact C-N 3.35Å; Y233-A235 PolarHBondContact O-N 2.78Å; Y233-L236 PolarHBondContact O-N 3.12Å; Y233-M237 HydrophobicContact CD1-CG 4.43Å; Y233-M237 HydrophobicContact CE1-CG 4.04Å; Y233-M237 HydrophobicContact CE2-CG 4.15Å; Y233-M237 HydrophobicContact CE2-SD 4.49Å; Y233-M237 WeakPolarHBondContact O-CG 3.35Å; Y233-M237 PolarHBondContact O-N 3.05Å; Y233-V252 HydrophobicContact CD2-CG1 4.18Å; Y233-V252 HydrophobicContact CE2-CB 3.85Å; Y233-V252 HydrophobicContact CE2-CG1 3.9Å; Y233-V252 HydrophobicContact CE2-CG2 4.12Å; Y233-I254 HydrophobicContact CD2-CD1 3.75Å; Y233-I254 HydrophobicContact CD2-CG1 4.35Å; Y233-I254 HydrophobicContact CE2-CD1 4.05Å; Y233-I254 HydrophobicContact CG-CD1 4.42Å
234G95Very high93.2Very high38 Ų3864.6 Ų64.639%0.39232%0.323SS..Hα-helixtrans-59.8-42.3176.600000113.1M230 R231 V232 M237 W238M230-G234 PolarHBondContact O-N 3.34Å; R231-G234 PolarHBondContact O-N 3.36Å; V232-G234 PolarHBondContact O-N 2.87Å; G234-M237 PolarHBondContact O-N 3.31Å; G234-W238 WeakPolarHBondContact O-CB 3.49Å; G234-W238 PolarHBondContact O-N 2.89Å
235A95.1Very high92.6Very high44 Ų4471.1 Ų71.136%0.36436%0.358SS..Hα-helixtrans-65.5-40.1177.400000112.8L194 R231 V232 Y233 S239L194-A235 HydrophobicContact CD2-CB 3.95Å; R231-A235 WeakPolarHBondContact O-CB 3.37Å; R231-A235 PolarHBondContact O-N 2.91Å; V232-A235 PolarHBondContact O-N 3.44Å; Y233-A235 VanDerWaalsContact C-N 3.35Å; Y233-A235 PolarHBondContact O-N 2.78Å; A235-S239 WeakPolarHBondContact O-CB 3.24Å; A235-S239 PolarHBondContact O-N 2.87Å; A235-S239 PolarHBondContact O-OG 2.88Å
236L95.2Very high92.1Very high0 Ų066.7 Ų66.70%034%0.339CS..Hα-helixtrans-61.7-50.7175.2173.963000110.7F189 L194 I196 V216 L218 V232 Y233 W238 S239 L240 V252F189-L236 HydrophobicContact CD1-CD1 3.7Å; F189-L236 HydrophobicContact CD2-CD1 3.83Å; F189-L236 HydrophobicContact CD2-CD2 4.37Å; F189-L236 HydrophobicContact CE1-CD1 3.72Å; F189-L236 HydrophobicContact CE2-CD1 3.86Å; F189-L236 HydrophobicContact CG-CD1 3.75Å; F189-L236 HydrophobicContact CG-CD2 4.45Å; F189-L236 HydrophobicContact CZ-CD1 3.81Å; L194-L236 HydrophobicContact CD1-CB 4.19Å; L194-L236 HydrophobicContact CD1-CD1 4Å; L194-L236 HydrophobicContact CD2-CB 3.99Å; I196-L236 HydrophobicContact CD1-CD1 4.2Å; V216-L236 HydrophobicContact CG1-CD2 3.86Å; L218-L236 HydrophobicContact CB-CD2 4.38Å; L218-L236 HydrophobicContact CD1-CD2 4.16Å; V232-L236 WeakPolarHBondContact O-CB 3.46Å; V232-L236 PolarHBondContact O-N 2.86Å; Y233-L236 PolarHBondContact O-N 3.12Å; L236-W238 VanDerWaalsContact C-N 3.35Å; L236-W238 PolarHBondContact O-N 2.97Å; L236-S239 PolarHBondContact O-N 3.3Å; L236-S239 VanDerWaalsContact O-N 3.14Å; L236-L240 HydrophobicContact CD1-CD1 3.82Å; L236-L240 HydrophobicContact CD1-CG 3.97Å; L236-L240 HydrophobicContact CG-CD1 3.98Å; L236-L240 HydrophobicContact CG-CG 4.45Å; L236-L240 WeakPolarHBondContact O-CG 3.5Å; L236-L240 PolarHBondContact O-N 2.9Å; L236-V252 HydrophobicContact CD2-CG1 4.33Å
237M93.6Very high91.7Very high44 Ų4470.4 Ų70.422%0.21736%0.364CS..Hα-helixtrans-61.1-43.3-179.8-70.7-53.3-73.200112.4Y233 G234 S239 G241 V249 V252Y233-M237 HydrophobicContact CD1-CG 4.43Å; Y233-M237 HydrophobicContact CE1-CG 4.04Å; Y233-M237 HydrophobicContact CE2-CG 4.15Å; Y233-M237 HydrophobicContact CE2-SD 4.49Å; Y233-M237 WeakPolarHBondContact O-CG 3.35Å; Y233-M237 PolarHBondContact O-N 3.05Å; G234-M237 PolarHBondContact O-N 3.31Å; M237-S239 VanDerWaalsContact C-N 3.31Å; M237-S239 PolarHBondContact O-N 3.05Å; M237-G241 PolarHBondContact O-N 2.87Å; M237-V249 HydrophobicContact CE-CG1 3.2Å; M237-V252 HydrophobicContact SD-CG2 3.37Å; M237-V252 WeakPolarHBondContact SD-CG2 3.5Å
238W92.1Very high91.3Very high176 Ų17670.2 Ų70.267%0.66736%0.363SS*.Hα-helixtrans-59.3-42.3174.5178.1-99.6000112.5G234 L236 K242G234-W238 WeakPolarHBondContact O-CB 3.49Å; G234-W238 PolarHBondContact O-N 2.89Å; L236-W238 VanDerWaalsContact C-N 3.35Å; L236-W238 PolarHBondContact O-N 2.97Å; W238-K242 VanDerWaalsContact CE2-CE 3.44Å; W238-K242 VanDerWaalsContact NE1-CE 3.27Å; W238-K242 VanDerWaalsContact NE1-NZ 3.17Å; W238-K242 PolarHBondContact O-N 3.23Å
239S92.4Very high91Very high39 Ų3971.7 Ų71.727%0.27338%0.378SS..Hα-helixtrans-72-44.9-178.3-560000111.6A235 L236 M237 G241 K242 I243A235-S239 WeakPolarHBondContact O-CB 3.24Å; A235-S239 PolarHBondContact O-N 2.87Å; A235-S239 PolarHBondContact O-OG 2.88Å; L236-S239 PolarHBondContact O-N 3.3Å; L236-S239 VanDerWaalsContact O-N 3.14Å; M237-S239 VanDerWaalsContact C-N 3.31Å; M237-S239 PolarHBondContact O-N 3.05Å; S239-G241 VanDerWaalsContact C-N 3.35Å; S239-G241 PolarHBondContact O-N 3.17Å; S239-K242 PolarHBondContact O-N 3.44Å; S239-I243 WeakPolarHBondContact O-CD1 3.41Å; S239-I243 VanDerWaalsContact O-CG1 3.28Å; S239-I243 WeakPolarHBondContact O-CG1 3.49Å; S239-I243 PolarHBondContact O-N 2.97Å; S239-I243 VanDerWaalsContact O-N 3.15Å
240L91.8Very high90.8Very high8 Ų872.7 Ų72.74%0.04238%0.383CS..Hα-helixtrans-61.4-42.3175.6-72177.3000112F189 I204 V216 L236 K242 I243 V244F189-L240 HydrophobicContact CZ-CD2 4.08Å; I204-L240 HydrophobicContact CD1-CD2 4.16Å; V216-L240 HydrophobicContact CB-CD1 4.49Å; V216-L240 HydrophobicContact CG1-CD1 4.19Å; V216-L240 HydrophobicContact CG2-CD1 3.64Å; L236-L240 HydrophobicContact CD1-CD1 3.82Å; L236-L240 HydrophobicContact CD1-CG 3.97Å; L236-L240 HydrophobicContact CG-CD1 3.98Å; L236-L240 HydrophobicContact CG-CG 4.45Å; L236-L240 WeakPolarHBondContact O-CG 3.5Å; L236-L240 PolarHBondContact O-N 2.9Å; L240-K242 VanDerWaalsContact C-N 3.25Å; L240-K242 PolarHBondContact O-N 3.47Å; L240-I243 PolarHBondContact O-N 3.32Å; L240-I243 VanDerWaalsContact O-N 3.07Å; L240-V244 WeakPolarHBondContact O-CG2 3.18Å; L240-V244 PolarHBondContact O-N 3.13Å
241G89.6Confident90.9Very high44 Ų4472.1 Ų72.145%0.45438%0.376SS..Hα-helixtrans-56.7-3917700000112.8M237 S239 N245M237-G241 PolarHBondContact O-N 2.87Å; S239-G241 VanDerWaalsContact C-N 3.35Å; S239-G241 PolarHBondContact O-N 3.17Å; G241-N245 PolarHBondContact O-N 3.46Å
242K89.3Confident91Very high139 Ų13963.2 Ų63.260%0.60434%0.343SS*.Hα-helixtrans-70.8-35.1175.6-71.5-178.8177.4-175.20113.8W238 S239 L240W238-K242 VanDerWaalsContact CE2-CE 3.44Å; W238-K242 VanDerWaalsContact NE1-CE 3.27Å; W238-K242 VanDerWaalsContact NE1-NZ 3.17Å; W238-K242 PolarHBondContact O-N 3.23Å; S239-K242 PolarHBondContact O-N 3.44Å; L240-K242 VanDerWaalsContact C-N 3.25Å; L240-K242 PolarHBondContact O-N 3.47Å
243I90.4Very high91Very high25 Ų2563 Ų6313%0.12834%0.34CS..Hα-helixtrans-82.7-47.3-172.6-65.3166000111.1I196 S201 I204 K205 S239 L240I196-I243 HydrophobicContact CD1-CD1 4.41Å; I196-I243 HydrophobicContact CG2-CD1 3.87Å; S201-I243 WeakPolarHBondContact OG-CD1 3.27Å; I204-I243 HydrophobicContact CB-CG2 3.81Å; I204-I243 HydrophobicContact CG2-CG2 3.59Å; K205-I243 HydrophobicContact CG-CG2 3.93Å; S239-I243 WeakPolarHBondContact O-CD1 3.41Å; S239-I243 VanDerWaalsContact O-CG1 3.28Å; S239-I243 WeakPolarHBondContact O-CG1 3.49Å; S239-I243 PolarHBondContact O-N 2.97Å; S239-I243 VanDerWaalsContact O-N 3.15Å; L240-I243 PolarHBondContact O-N 3.32Å; L240-I243 VanDerWaalsContact O-N 3.07Å
244V86.9Confident91.1Very high11 Ų1159.8 Ų59.87%0.06733%0.328CS..Hα-helixtrans-76.1-37.1-177.4-172.60000110.3I204 E211 L240 T246 I250I204-V244 HydrophobicContact CG2-CG2 3.84Å; E211-V244 HydrophobicContact CB-CG1 4.3Å; E211-V244 VanDerWaalsContact OE2-CG1 3.31Å; E211-V244 WeakPolarHBondContact OE2-CG1 3.48Å; L240-V244 WeakPolarHBondContact O-CG2 3.18Å; L240-V244 PolarHBondContact O-N 3.13Å; V244-T246 VanDerWaalsContact C-N 3.32Å; V244-T246 HydrophobicContact CB-CG2 4.24Å; V244-T246 HydrophobicContact CG1-CG2 3.51Å; V244-T246 PolarHBondContact O-N 2.88Å; V244-I250 HydrophobicContact CG1-CD1 4.27Å; V244-I250 HydrophobicContact CG2-CD1 3.84Å
245N83.7Confident91.1Very high139 Ų13958 Ų5874%0.74331%0.31SS*.  trans55.845.6176.6-171.661000112.7G241G241-N245 PolarHBondContact O-N 3.46Å
246T82.5Confident91.1Very high33 Ų3356.5 Ų56.520%0.20230%0.296CS..  trans-117.5146173.5-1760000109.3E211 V244 E248E211-T246 VanDerWaalsContact OE1-CB 3.31Å; E211-T246 WeakPolarHBondContact OE1-CB 3.4Å; E211-T246 PolarHBondContact OE1-OG1 3.32Å; E211-T246 WeakPolarHBondContact OE2-CB 3.45Å; E211-T246 VanDerWaalsContact OE2-CG2 3.28Å; E211-T246 WeakPolarHBondContact OE2-CG2 3.32Å; E211-T246 PolarHBondContact OE2-OG1 3.31Å; V244-T246 VanDerWaalsContact C-N 3.32Å; V244-T246 HydrophobicContact CB-CG2 4.24Å; V244-T246 HydrophobicContact CG1-CG2 3.51Å; V244-T246 PolarHBondContact O-N 2.88Å; T246-E248 HydrophobicContact CG2-CB 4.45Å; T246-E248 VanDerWaalsContact CG2-O 3.29Å; T246-E248 WeakPolarHBondContact CG2-O 3.33Å; T246-E248 PolarHBondContact O-N 2.73Å; T246-E248 PolarHBondContact OG1-N 3.48Å
247P83.1Confident91Very high128 Ų12856.5 Ų56.583%0.83130%0.297SS*.SBendtrans-67.7-17.3172.529-36.1000112.7
248E85.3Confident90.6Very high136 Ų13656.1 Ų56.164%0.63629%0.293SS*.SBendtrans-81.8128.1-178.2-62.4-170.6-179.400112T246 I250T246-E248 HydrophobicContact CG2-CB 4.45Å; T246-E248 VanDerWaalsContact CG2-O 3.29Å; T246-E248 WeakPolarHBondContact CG2-O 3.33Å; T246-E248 PolarHBondContact O-N 2.73Å; T246-E248 PolarHBondContact OG1-N 3.48Å; E248-I250 PolarHBondContact O-N 2.92Å
249V87.6Confident90.1Very high118 Ų11852.4 Ų52.472%0.71529%0.294SS*.PPolyproline II helixtrans-82.1119.9-179.2-177.20000109.6M237 R251M237-V249 HydrophobicContact CE-CG1 3.2Å; V249-R251 PolarHBondContact O-N 3.13Å
250I92.3Very high89.7Confident21 Ų2156.9 Ų56.911%0.10831%0.31CS..PPolyproline II helixtrans-68.9130.7176.6-57.5175.3000109.8M214 V216 V244 E248 V252M214-I250 HydrophobicContact CB-CD1 4.37Å; M214-I250 HydrophobicContact CB-CG2 4.28Å; M214-I250 HydrophobicContact SD-CD1 4.07Å; V216-I250 HydrophobicContact CG2-CB 4.48Å; V216-I250 HydrophobicContact CG2-CG2 3.71Å; V244-I250 HydrophobicContact CG1-CD1 4.27Å; V244-I250 HydrophobicContact CG2-CD1 3.84Å; E248-I250 PolarHBondContact O-N 2.92Å; I250-V252 PolarHBondContact O-N 3.36Å
251R95.3Very high89.1Confident85 Ų8561.9 Ų61.932%0.32134%0.343SS..PPolyproline II helixtrans-63.2124.2174.6179.863.4170.2120.8-6.2110.5V216 V249 Y253 E274 D277V216-R251 PolarHBondContact N-O 2.93Å; V249-R251 PolarHBondContact O-N 3.13Å; R251-Y253 HydrophobicContact CG-CD1 4.45Å; R251-Y253 HydrophobicContact CG-CE1 3.84Å; R251-Y253 HydrophobicContact CG-CE2 3.96Å; R251-E274 IonicContact CZ-OE1 3.55Å; R251-E274 IonicContact CZ-OE2 2.89Å; R251-E274 VanDerWaalsContact CZ-OE2 3.27Å; R251-E274 VanDerWaalsContact NH1-CD 3.35Å; R251-E274 IonicContact NH1-OE1 3.92Å; R251-E274 PolarHBondContact NH1-OE1 3.47Å; R251-E274 IonicContact NH1-OE2 3.11Å; R251-E274 PolarHBondContact NH1-OE2 2.99Å; R251-E274 IonicContact NH2-OE1 2.65Å; R251-E274 PolarHBondContact NH2-OE1 3.17Å; R251-E274 IonicContact NH2-OE2 3.9Å; R251-E274 PolarHBondContact NH2-OE2 2.89Å; R251-E274 VanDerWaalsContact NH2-OE2 3.15Å; R251-D277 IonicContact CZ-OD2 3.43Å; R251-D277 IonicContact NH2-OD2 2.79Å; R251-D277 PolarHBondContact NH2-OD2 3.23Å
252V97.4Very high88.9Confident3 Ų362.4 Ų62.42%0.01834%0.335CS..EExtended strand (participates in β ladder)trans-105.3129173.4178.90000109V216 L218 Y233 L236 M237 I250 I254V216-V252 HydrophobicContact CB-CB 4.31Å; V216-V252 HydrophobicContact CB-CG1 4.46Å; V216-V252 HydrophobicContact CB-CG2 3.87Å; V216-V252 HydrophobicContact CG1-CB 4.36Å; V216-V252 HydrophobicContact CG1-CG1 4.05Å; V216-V252 HydrophobicContact CG1-CG2 3.91Å; V216-V252 CarbonylContact O-C 3.16Å; V216-V252 VanDerWaalsContact O-CA 3.29Å; V216-V252 WeakPolarHBondContact O-CA 3.48Å; L218-V252 HydrophobicContact CB-CG1 4.04Å; Y233-V252 HydrophobicContact CD2-CG1 4.18Å; Y233-V252 HydrophobicContact CE2-CB 3.85Å; Y233-V252 HydrophobicContact CE2-CG1 3.9Å; Y233-V252 HydrophobicContact CE2-CG2 4.12Å; L236-V252 HydrophobicContact CD2-CG1 4.33Å; M237-V252 HydrophobicContact SD-CG2 3.37Å; M237-V252 WeakPolarHBondContact SD-CG2 3.5Å; I250-V252 PolarHBondContact O-N 3.36Å; V252-I254 HydrophobicContact CG1-CG1 4.23Å
253Y98.1Very high88.9Confident12 Ų1261.7 Ų61.75%0.04734%0.337CS..EExtended strand (participates in β ladder)trans-101.2126.5171.7-56.9-79.1000109.9R215 V216 V217 L218 R251 E274 D277 L278R215-Y253 HydrophobicContact CB-CD2 4.31Å; R215-Y253 HydrophobicContact CB-CE2 3.81Å; R215-Y253 HydrophobicContact CG-CE2 3.88Å; V216-Y253 WeakPolarHBondContact O-CD2 3.31Å; V216-Y253 PolarHBondContact O-N 3.42Å; V217-Y253 CarbonylContact C-O 3.56Å; V217-Y253 WeakPolarHBondContact CA-O 3.34Å; V217-Y253 HydrophobicContact CG2-CD2 4.33Å; L218-Y253 PolarHBondContact N-O 3.23Å; R251-Y253 HydrophobicContact CG-CD1 4.45Å; R251-Y253 HydrophobicContact CG-CE1 3.84Å; R251-Y253 HydrophobicContact CG-CE2 3.96Å; Y253-E274 WeakPolarHBondContact CA-OE2 3.2Å; Y253-E274 WeakPolarHBondContact CD1-O 3.18Å; Y253-D277 HydrophobicContact CD1-CB 4.09Å; Y253-D277 HydrophobicContact CE1-CB 3.68Å; Y253-L278 HydrophobicContact CD1-CB 3.82Å; Y253-L278 HydrophobicContact CD2-CB 4.13Å; Y253-L278 HydrophobicContact CD2-CD1 3.65Å; Y253-L278 HydrophobicContact CD2-CG 4.3Å; Y253-L278 HydrophobicContact CE1-CB 4.09Å; Y253-L278 HydrophobicContact CE2-CB 4.33Å; Y253-L278 HydrophobicContact CE2-CD1 3.6Å; Y253-L278 HydrophobicContact CG-CB 3.84Å; Y253-L278 HydrophobicContact CG-CD1 4.24Å; Y253-L278 HydrophobicContact CG-CG 4.42Å
254I97.3Very high88.7Confident13 Ų1362.6 Ų62.67%0.06734%0.342CS..EExtended strand (participates in β ladder)trans-106.6124-175.2-54.4175.4000109.6L218 A221 L229 Y233 V252 F271 E274L218-I254 HydrophobicContact CB-CG1 4.48Å; A221-I254 HydrophobicContact CB-CG2 3.6Å; L229-I254 HydrophobicContact CD1-CG2 3.87Å; L229-I254 HydrophobicContact CD2-CG2 4.08Å; L229-I254 HydrophobicContact CG-CG2 4.43Å; Y233-I254 HydrophobicContact CD2-CD1 3.75Å; Y233-I254 HydrophobicContact CD2-CG1 4.35Å; Y233-I254 HydrophobicContact CE2-CD1 4.05Å; Y233-I254 HydrophobicContact CG-CD1 4.42Å; V252-I254 HydrophobicContact CG1-CG1 4.23Å; I254-F271 HydrophobicContact CG2-CD1 4.24Å; I254-F271 HydrophobicContact CG2-CE1 4Å; I254-E274 HydrophobicContact CB-CG 4.43Å; I254-E274 PolarHBondContact N-OE2 3.4Å; I254-E274 VanDerWaalsContact O-CB 3.24Å; I254-E274 WeakPolarHBondContact O-CB 3.18Å
255G95.1Very high88.7Confident1 Ų165.6 Ų65.61%0.0136%0.362CS..SBendtrans175-166177.700000113.8L218 N219 K220 A221L218-G255 PolarHBondContact O-N 3.06Å; L218-G255 VanDerWaalsContact O-N 3.14Å; N219-G255 CarbonylContact C-O 3.56Å; N219-G255 VanDerWaalsContact C-O 3.29Å; N219-G255 VanDerWaalsContact CA-O 3.25Å; N219-G255 WeakPolarHBondContact CA-O 3.44Å; K220-G255 PolarHBondContact N-O 3.46Å; A221-G255 PolarHBondContact N-O 3.23Å
256S93.5Very high88.7Confident11 Ų1164.6 Ų64.68%0.07736%0.356CS..  trans-133100.1177.4-67.20000109.1K220 A221 D222 W258K220-S256 VanDerWaalsContact CA-OG 3.29Å; K220-S256 WeakPolarHBondContact CA-OG 3.44Å; A221-S256 PolarHBondContact N-OG 2.97Å; D222-S256 PolarHBondContact N-OG 3.11Å; D222-S256 WeakPolarHBondContact OD1-CB 3.32Å; D222-S256 PolarHBondContact OD1-OG 3Å; S256-W258 PolarHBondContact O-N 2.74Å; S256-W258 VanDerWaalsContact O-N 3.08Å
257F93.1Very high88.9Confident1 Ų164.1 Ų64.10%0.00435%0.353CS..  trans-9171.2-167.1-63.1-90.7000111F74 Y77 V217 N219 E275 L278 F279F74-F257 HydrophobicContact CD2-CB 3.42Å; F74-F257 VanDerWaalsContact CD2-CB 3.42Å; F74-F257 HydrophobicContact CD2-CD1 4.08Å; F74-F257 HydrophobicContact CD2-CD2 4.26Å; F74-F257 AromaticContact CD2-CG 3.66Å; F74-F257 HydrophobicContact CD2-CG 3.66Å; F74-F257 HydrophobicContact CE2-CB 3.85Å; F74-F257 AromaticContact CE2-CD1 3.56Å; F74-F257 HydrophobicContact CE2-CD1 3.56Å; F74-F257 HydrophobicContact CE2-CD2 4.19Å; F74-F257 HydrophobicContact CE2-CE1 4.15Å; F74-F257 AromaticContact CE2-CG 3.58Å; F74-F257 HydrophobicContact CE2-CG 3.58Å; F74-F257 HydrophobicContact CG-CB 4.49Å; Y77-F257 HydrophobicContact CD1-CB 3.91Å; Y77-F257 HydrophobicContact CD1-CD1 4.47Å; Y77-F257 HydrophobicContact CE1-CB 4.27Å; Y77-F257 HydrophobicContact CE1-CD1 4.31Å; V217-F257 HydrophobicContact CG1-CD2 3.62Å; V217-F257 HydrophobicContact CG1-CE2 3.33Å; V217-F257 HydrophobicContact CG1-CZ 4.12Å; N219-F257 PolarHBondContact OD1-N 3.15Å; N219-F257 VanDerWaalsContact OD1-N 3.11Å; F257-E275 HydrophobicContact CD1-CG 4.35Å; F257-E275 HydrophobicContact CE1-CB 4.05Å; F257-E275 HydrophobicContact CE1-CG 4Å; F257-L278 HydrophobicContact CD1-CD2 4.21Å; F257-L278 HydrophobicContact CE1-CD2 3.47Å; F257-L278 VanDerWaalsContact CE1-CD2 3.47Å; F257-L278 HydrophobicContact CZ-CD2 3.72Å; F257-F279 HydrophobicContact CD1-CE1 4.39Å
258W85.9Confident88.9Confident36 Ų3664.8 Ų64.814%0.13634%0.338CS..SBendtrans-153.3169.5176.758.550.2000111T73 Y77 K220 D222 Q223 S256 H260T73-W258 HydrophobicContact CG2-CB 3.99Å; Y77-W258 VanDerWaalsContact CD2-C 3.44Å; Y77-W258 VanDerWaalsContact CE2-C 3.45Å; Y77-W258 WeakPolarHBondContact CE2-O 3.47Å; K220-W258 HydrophobicContact CB-CH2 3.78Å; K220-W258 HydrophobicContact CB-CZ3 4.01Å; K220-W258 HydrophobicContact CD-CH2 4.07Å; K220-W258 HydrophobicContact CD-CZ3 3.77Å; K220-W258 HydrophobicContact CG-CH2 3.9Å; K220-W258 HydrophobicContact CG-CZ3 3.6Å; D222-W258 WeakPolarHBondContact OD1-CH2 3.31Å; D222-W258 WeakPolarHBondContact OD1-CZ2 3.32Å; Q223-W258 HydrophobicContact CG-CH2 4.37Å; S256-W258 PolarHBondContact O-N 2.74Å; S256-W258 VanDerWaalsContact O-N 3.08Å; W258-H260 VanDerWaalsContact CD1-O 3.26Å; W258-H260 HydrophobicContact CG-CB 4.32Å; W258-H260 PolarHBondContact NE1-O 3.34Å
259S82.2Confident88.6Confident98 Ų9864.3 Ų64.369%0.68533%0.334SS*.SBendtrans-90.67.6-179.8-40.90000114.8
260H83.1Confident88.6Confident132 Ų13261.6 Ų61.661%0.61132%0.316SS*.SBendtrans-84.5153.5176.6-59.483.1000112.2W258W258-H260 VanDerWaalsContact CD1-O 3.26Å; W258-H260 HydrophobicContact CG-CB 4.32Å; W258-H260 PolarHBondContact NE1-O 3.34Å
261P79.6Confident88.5Confident114 Ų11461 Ų6174%0.7431%0.312SS*.PPolyproline II helixtrans-56.5147.3173.8-23.934.1000113
262L86.3Confident88Confident55 Ų5560.3 Ų60.329%0.28831%0.313SS..PPolyproline II helixtrans-65.8132.9173.6-59.9176.6000110.3D222 R268 F271D222-L262 HydrophobicContact CB-CB 4.23Å; D222-L262 HydrophobicContact CB-CD2 3.75Å; D222-L262 WeakPolarHBondContact OD2-CA 3.3Å; L262-R268 HydrophobicContact CD1-CB 3.84Å; L262-R268 HydrophobicContact CD1-CG 3.82Å; L262-F271 HydrophobicContact CD1-CD2 4.26Å; L262-F271 HydrophobicContact CD2-CD2 4.18Å
263L87.4Confident87.3Confident124 Ų12462.3 Ų62.365%0.64933%0.33SS*.SBendtrans-71.4-47.9174.5-61.7-175.5000111.5D222 Q223D222-L263 PolarHBondContact OD2-N 3.49Å; Q223-L263 HydrophobicContact CB-CD1 4.5Å; Q223-L263 HydrophobicContact CG-CD1 4Å
264I87.8Confident87Confident43 Ų4362.8 Ų62.822%0.22133%0.332CS..SBendtrans-119.5105.1175.9-56.5172.4000108.2D222 E225 D266D222-I264 VanDerWaalsContact O-CB 3.27Å; D222-I264 WeakPolarHBondContact O-CB 3.43Å; D222-I264 WeakPolarHBondContact O-CG1 3.06Å; D222-I264 PolarHBondContact O-N 2.97Å; E225-I264 HydrophobicContact CG-CD1 4.3Å; I264-D266 VanDerWaalsContact C-N 3.33Å; I264-D266 HydrophobicContact CG2-CB 4.22Å; I264-D266 PolarHBondContact O-N 3.23Å
265P85.5Confident86.7Confident75 Ų7563.7 Ų63.749%0.48734%0.336SS..G310 helixtrans-84.6-0.1-172.234.1-36.2000114.3N267 R268P265-N267 PolarHBondContact O-N 2.96Å; P265-R268 WeakPolarHBondContact O-CB 3.31Å; P265-R268 PolarHBondContact O-N 2.9Å
266D84.1Confident86.4Confident118 Ų11864.9 Ų64.963%0.63134%0.341SS*.G310 helixtrans-52.5-35.3-173.6-65.86.6000113.8I264I264-D266 VanDerWaalsContact C-N 3.33Å; I264-D266 HydrophobicContact CG2-CB 4.22Å; I264-D266 PolarHBondContact O-N 3.23Å
267N86.6Confident86.2Confident23 Ų2366.8 Ų66.812%0.12335%0.35CS..G310 helixtrans-104.719.6-178.7-59.7-65.6000113T226 P265 K269 L270 F271T226-N267 WeakPolarHBondContact CG2-OD1 3.48Å; T226-N267 PolarHBondContact OG1-ND2 3.38Å; T226-N267 PolarHBondContact OG1-OD1 3.35Å; P265-N267 PolarHBondContact O-N 2.96Å; N267-K269 VanDerWaalsContact C-N 3.31Å; N267-K269 PolarHBondContact O-N 3.46Å; N267-L270 HydrophobicContact CB-CB 4.46Å; N267-L270 WeakPolarHBondContact O-CB 3.15Å; N267-L270 PolarHBondContact O-N 3.01Å; N267-F271 HydrophobicContact CB-CD1 4.32Å; N267-F271 HydrophobicContact CB-CE1 3.72Å; N267-F271 HydrophobicContact CB-CE2 4.01Å; N267-F271 HydrophobicContact CB-CZ 3.57Å; N267-F271 WeakPolarHBondContact O-CG 3.15Å; N267-F271 PolarHBondContact O-N 3.39Å
268R82.9Confident86.3Confident141 Ų14166.8 Ų66.853%0.53235%0.351SS..Hα-helixtrans-49.5-47.8-176176.8174.3-174.1169.73.3113.4L262 P265 L270 F271 E272L262-R268 HydrophobicContact CD1-CB 3.84Å; L262-R268 HydrophobicContact CD1-CG 3.82Å; P265-R268 WeakPolarHBondContact O-CB 3.31Å; P265-R268 PolarHBondContact O-N 2.9Å; R268-L270 VanDerWaalsContact C-N 3.3Å; R268-L270 PolarHBondContact O-N 3.43Å; R268-F271 PolarHBondContact O-N 3.49Å; R268-F271 VanDerWaalsContact O-N 3.1Å; R268-E272 HydrophobicContact CG-CG 4.34Å; R268-E272 WeakPolarHBondContact CG-OE1 3.33Å; R268-E272 IonicContact CZ-OE1 2.73Å; R268-E272 IonicContact NE-OE1 2.72Å; R268-E272 PolarHBondContact NE-OE1 2.9Å; R268-E272 IonicContact NH2-OE1 2.76Å; R268-E272 PolarHBondContact NH2-OE1 3.11Å; R268-E272 WeakPolarHBondContact O-CG 3.42Å; R268-E272 PolarHBondContact O-N 3.02Å
269K80.5Confident86.7Confident127 Ų12765 Ų6555%0.55234%0.344SS*.Hα-helixtrans-57.4-43179-65.3-169.9174.6-163.30112.3N267 A273N267-K269 VanDerWaalsContact C-N 3.31Å; N267-K269 PolarHBondContact O-N 3.46Å; K269-A273 WeakPolarHBondContact O-CB 3.3Å; K269-A273 PolarHBondContact O-N 3.32Å
270L86.5Confident87Confident61 Ų6165.5 Ų65.532%0.31933%0.331SS..Hα-helixtrans-63.1-47.1176.1175.366.2000110.4N267 R268 E272 A273 E274N267-L270 HydrophobicContact CB-CB 4.46Å; N267-L270 WeakPolarHBondContact O-CB 3.15Å; N267-L270 PolarHBondContact O-N 3.01Å; R268-L270 VanDerWaalsContact C-N 3.3Å; R268-L270 PolarHBondContact O-N 3.43Å; L270-E272 PolarHBondContact O-N 3.28Å; L270-A273 PolarHBondContact O-N 2.77Å; L270-E274 HydrophobicContact CD1-CG 3.81Å; L270-E274 HydrophobicContact CG-CG 4.22Å; L270-E274 WeakPolarHBondContact O-CB 3.2Å; L270-E274 WeakPolarHBondContact O-CG 3.21Å; L270-E274 PolarHBondContact O-N 2.84Å
271F90Very high87.4Confident7 Ų760.3 Ų60.33%0.03131%0.307CS..Hα-helixtrans-60.8-44.9-178.8-56.9-25.4000112.2A221 D222 L229 I254 L262 N267 R268 E274 E275A221-F271 HydrophobicContact CB-CD1 4.23Å; A221-F271 HydrophobicContact CB-CE1 3.48Å; A221-F271 VanDerWaalsContact CB-CE1 3.48Å; A221-F271 HydrophobicContact CB-CZ 3.73Å; D222-F271 HydrophobicContact CB-CE2 3.87Å; L229-F271 HydrophobicContact CD2-CE1 4.03Å; L229-F271 HydrophobicContact CD2-CZ 4.43Å; I254-F271 HydrophobicContact CG2-CD1 4.24Å; I254-F271 HydrophobicContact CG2-CE1 4Å; L262-F271 HydrophobicContact CD1-CD2 4.26Å; L262-F271 HydrophobicContact CD2-CD2 4.18Å; N267-F271 HydrophobicContact CB-CD1 4.32Å; N267-F271 HydrophobicContact CB-CE1 3.72Å; N267-F271 HydrophobicContact CB-CE2 4.01Å; N267-F271 HydrophobicContact CB-CZ 3.57Å; N267-F271 WeakPolarHBondContact O-CG 3.15Å; N267-F271 PolarHBondContact O-N 3.39Å; R268-F271 PolarHBondContact O-N 3.49Å; R268-F271 VanDerWaalsContact O-N 3.1Å; F271-E274 PolarHBondContact O-N 2.88Å; F271-E275 VanDerWaalsContact O-CB 3.25Å; F271-E275 WeakPolarHBondContact O-CB 3.48Å; F271-E275 PolarHBondContact O-N 3.37Å
272E84.3Confident88.1Confident72 Ų7254.9 Ų54.934%0.33627%0.272SS..Hα-helixtrans-65.5-41.1178.6-70.2171171.900111.7R268 L270 E275 Q276R268-E272 HydrophobicContact CG-CG 4.34Å; R268-E272 WeakPolarHBondContact CG-OE1 3.33Å; R268-E272 IonicContact CZ-OE1 2.73Å; R268-E272 IonicContact NE-OE1 2.72Å; R268-E272 PolarHBondContact NE-OE1 2.9Å; R268-E272 IonicContact NH2-OE1 2.76Å; R268-E272 PolarHBondContact NH2-OE1 3.11Å; R268-E272 WeakPolarHBondContact O-CG 3.42Å; R268-E272 PolarHBondContact O-N 3.02Å; L270-E272 PolarHBondContact O-N 3.28Å; E272-E275 PolarHBondContact O-N 3.17Å; E272-Q276 VanDerWaalsContact O-CG 3.26Å; E272-Q276 WeakPolarHBondContact O-CG 3.34Å; E272-Q276 PolarHBondContact O-N 2.9Å
273A82.7Confident88.3Confident45 Ų4552.4 Ų52.437%0.37226%0.259SS..Hα-helixtrans-64.9-44.5176.600000112.3K269 L270 Q276 D277K269-A273 WeakPolarHBondContact O-CB 3.3Å; K269-A273 PolarHBondContact O-N 3.32Å; L270-A273 PolarHBondContact O-N 2.77Å; A273-Q276 PolarHBondContact O-N 3.35Å; A273-D277 PolarHBondContact O-N 3.14Å
274E93.4Very high88.3Confident22 Ų2248 Ų4810%0.10324%0.239CC..Hα-helixtrans-67.6-36.2178.8-69-71.1126.100112.2R251 Y253 I254 L270 F271 D277 L278R251-E274 IonicContact CZ-OE1 3.55Å; R251-E274 IonicContact CZ-OE2 2.89Å; R251-E274 VanDerWaalsContact CZ-OE2 3.27Å; R251-E274 VanDerWaalsContact NH1-CD 3.35Å; R251-E274 IonicContact NH1-OE1 3.92Å; R251-E274 PolarHBondContact NH1-OE1 3.47Å; R251-E274 IonicContact NH1-OE2 3.11Å; R251-E274 PolarHBondContact NH1-OE2 2.99Å; R251-E274 IonicContact NH2-OE1 2.65Å; R251-E274 PolarHBondContact NH2-OE1 3.17Å; R251-E274 IonicContact NH2-OE2 3.9Å; R251-E274 PolarHBondContact NH2-OE2 2.89Å; R251-E274 VanDerWaalsContact NH2-OE2 3.15Å; Y253-E274 WeakPolarHBondContact CA-OE2 3.2Å; Y253-E274 WeakPolarHBondContact CD1-O 3.18Å; I254-E274 HydrophobicContact CB-CG 4.43Å; I254-E274 PolarHBondContact N-OE2 3.4Å; I254-E274 VanDerWaalsContact O-CB 3.24Å; I254-E274 WeakPolarHBondContact O-CB 3.18Å; L270-E274 HydrophobicContact CD1-CG 3.81Å; L270-E274 HydrophobicContact CG-CG 4.22Å; L270-E274 WeakPolarHBondContact O-CB 3.2Å; L270-E274 WeakPolarHBondContact O-CG 3.21Å; L270-E274 PolarHBondContact O-N 2.84Å; F271-E274 PolarHBondContact O-N 2.88Å; E274-D277 PolarHBondContact O-N 3.2Å; E274-L278 PolarHBondContact O-N 2.92Å
275E91Very high88.5Confident32 Ų3246 Ų4615%0.1523%0.228CC..Hα-helixtrans-62.3-47.7172.6177.9179.6-178.700111.6Y77 F257 F271 E272 D277 L278 F279Y77-E275 WeakPolarHBondContact CE1-OE1 3.45Å; Y77-E275 VanDerWaalsContact CZ-OE1 3.22Å; Y77-E275 PolarHBondContact OH-OE1 3.39Å; F257-E275 HydrophobicContact CD1-CG 4.35Å; F257-E275 HydrophobicContact CE1-CB 4.05Å; F257-E275 HydrophobicContact CE1-CG 4Å; F271-E275 VanDerWaalsContact O-CB 3.25Å; F271-E275 WeakPolarHBondContact O-CB 3.48Å; F271-E275 PolarHBondContact O-N 3.37Å; E272-E275 PolarHBondContact O-N 3.17Å; E275-D277 VanDerWaalsContact C-N 3.32Å; E275-D277 PolarHBondContact O-N 2.89Å; E275-L278 PolarHBondContact O-N 3.29Å; E275-F279 HydrophobicContact CG-CD1 4.33Å; E275-F279 HydrophobicContact CG-CD2 4.21Å; E275-F279 HydrophobicContact CG-CE1 3.94Å; E275-F279 HydrophobicContact CG-CE2 3.76Å; E275-F279 HydrophobicContact CG-CG 4.46Å; E275-F279 HydrophobicContact CG-CZ 3.64Å; E275-F279 WeakPolarHBondContact O-CB 3.45Å; E275-F279 WeakPolarHBondContact O-CD1 3.29Å; E275-F279 WeakPolarHBondContact O-CG 3.28Å; E275-F279 PolarHBondContact O-N 3.37Å; E275-F279 VanDerWaalsContact OE1-CE2 3.23Å; E275-F279 WeakPolarHBondContact OE1-CE2 3.18Å; E275-F279 WeakPolarHBondContact OE1-CZ 3.48Å
276Q87.3Confident88.6Confident26 Ų2643.1 Ų43.112%0.12121%0.21CC..Hα-helixtrans-60.5-41.7176.3-72.917415.700111.8E272 A273 L278 F279 R280 T417 H424E272-Q276 VanDerWaalsContact O-CG 3.26Å; E272-Q276 WeakPolarHBondContact O-CG 3.34Å; E272-Q276 PolarHBondContact O-N 2.9Å; A273-Q276 PolarHBondContact O-N 3.35Å; Q276-L278 PolarHBondContact O-N 2.79Å; Q276-F279 PolarHBondContact O-N 3.46Å; Q276-R280 WeakPolarHBondContact O-CB 3.3Å; Q276-R280 VanDerWaalsContact O-CG 3.31Å; Q276-R280 WeakPolarHBondContact O-CG 3.49Å; Q276-R280 PolarHBondContact O-N 2.98Å; Q276-T417 HydrophobicContact CG-CG2 3.92Å; Q276-H424 PolarHBondContact OE1-CD2 2.99Å
277D91Very high88.5Confident50 Ų5043.3 Ų43.327%0.26720%0.202SC..Hα-helixtrans-60-44.6174.6-81.1-2.2000112.3R251 Y253 A273 E274 E275 F279 R280 D281R251-D277 IonicContact CZ-OD2 3.43Å; R251-D277 IonicContact NH2-OD2 2.79Å; R251-D277 PolarHBondContact NH2-OD2 3.23Å; Y253-D277 HydrophobicContact CD1-CB 4.09Å; Y253-D277 HydrophobicContact CE1-CB 3.68Å; A273-D277 PolarHBondContact O-N 3.14Å; E274-D277 PolarHBondContact O-N 3.2Å; E275-D277 VanDerWaalsContact C-N 3.32Å; E275-D277 PolarHBondContact O-N 2.89Å; D277-F279 VanDerWaalsContact C-N 3.35Å; D277-R280 PolarHBondContact O-N 3.06Å; D277-R280 IonicContact OD1-CZ 3.77Å; D277-R280 IonicContact OD1-NE 2.88Å; D277-R280 IonicContact OD1-NH2 3.72Å; D277-R280 PolarHBondContact OD1-NH2 2.81Å; D277-D281 PolarHBondContact O-N 3.12Å
278L94.6Very high88.3Confident1 Ų144.4 Ų44.41%0.00521%0.208CC..Hα-helixtrans-63.1-43.5176.8177.658.9000111.1F74 I186 V217 Y253 F257 E274 E275 Q276 D281 I282F74-L278 HydrophobicContact CE2-CD2 3.74Å; F74-L278 HydrophobicContact CZ-CD2 3.66Å; I186-L278 HydrophobicContact CD1-CD1 4.41Å; V217-L278 HydrophobicContact CG2-CD1 4.48Å; V217-L278 HydrophobicContact CG2-CD2 3.74Å; Y253-L278 HydrophobicContact CD1-CB 3.82Å; Y253-L278 HydrophobicContact CD2-CB 4.13Å; Y253-L278 HydrophobicContact CD2-CD1 3.65Å; Y253-L278 HydrophobicContact CD2-CG 4.3Å; Y253-L278 HydrophobicContact CE1-CB 4.09Å; Y253-L278 HydrophobicContact CE2-CB 4.33Å; Y253-L278 HydrophobicContact CE2-CD1 3.6Å; Y253-L278 HydrophobicContact CG-CB 3.84Å; Y253-L278 HydrophobicContact CG-CD1 4.24Å; Y253-L278 HydrophobicContact CG-CG 4.42Å; F257-L278 HydrophobicContact CD1-CD2 4.21Å; F257-L278 HydrophobicContact CE1-CD2 3.47Å; F257-L278 VanDerWaalsContact CE1-CD2 3.47Å; F257-L278 HydrophobicContact CZ-CD2 3.72Å; E274-L278 PolarHBondContact O-N 2.92Å; E275-L278 PolarHBondContact O-N 3.29Å; Q276-L278 PolarHBondContact O-N 2.79Å; L278-D281 WeakPolarHBondContact O-CB 3.37Å; L278-D281 PolarHBondContact O-N 3.21Å; L278-I282 HydrophobicContact CD1-CD1 3.99Å; L278-I282 HydrophobicContact CD1-CG1 4.3Å; L278-I282 HydrophobicContact CG-CD1 4.02Å; L278-I282 WeakPolarHBondContact O-CG1 3.36Å; L278-I282 PolarHBondContact O-N 3.33Å
279F93.1Very high88.5Confident0 Ų038.3 Ų38.30%019%0.187CC..Hα-helixtrans-67.2-39.2-178.8-74.18.3000111.8Y77 L78 F257 E275 Q276 D277 D281 I282 Q283 A413 F414 T417Y77-F279 HydrophobicContact CD1-CZ 4.18Å; Y77-F279 HydrophobicContact CE1-CE2 4.5Å; Y77-F279 AromaticContact CE1-CZ 3.65Å; Y77-F279 HydrophobicContact CE1-CZ 3.65Å; L78-F279 HydrophobicContact CD2-CD1 4.03Å; L78-F279 HydrophobicContact CD2-CE1 3.42Å; L78-F279 VanDerWaalsContact CD2-CE1 3.42Å; L78-F279 HydrophobicContact CD2-CZ 3.92Å; F257-F279 HydrophobicContact CD1-CE1 4.39Å; E275-F279 HydrophobicContact CG-CD1 4.33Å; E275-F279 HydrophobicContact CG-CD2 4.21Å; E275-F279 HydrophobicContact CG-CE1 3.94Å; E275-F279 HydrophobicContact CG-CE2 3.76Å; E275-F279 HydrophobicContact CG-CG 4.46Å; E275-F279 HydrophobicContact CG-CZ 3.64Å; E275-F279 WeakPolarHBondContact O-CB 3.45Å; E275-F279 WeakPolarHBondContact O-CD1 3.29Å; E275-F279 WeakPolarHBondContact O-CG 3.28Å; E275-F279 PolarHBondContact O-N 3.37Å; E275-F279 VanDerWaalsContact OE1-CE2 3.23Å; E275-F279 WeakPolarHBondContact OE1-CE2 3.18Å; E275-F279 WeakPolarHBondContact OE1-CZ 3.48Å; Q276-F279 PolarHBondContact O-N 3.46Å; D277-F279 VanDerWaalsContact C-N 3.35Å; F279-D281 VanDerWaalsContact C-N 3.33Å; F279-D281 PolarHBondContact O-N 3.43Å; F279-I282 PolarHBondContact O-N 3.39Å; F279-Q283 VanDerWaalsContact O-CB 3.29Å; F279-Q283 WeakPolarHBondContact O-CB 3.39Å; F279-Q283 VanDerWaalsContact O-CG 3.28Å; F279-Q283 WeakPolarHBondContact O-CG 3.3Å; F279-Q283 PolarHBondContact O-N 3.06Å; F279-A413 HydrophobicContact CE2-CB 3.59Å; F279-A413 WeakPolarHBondContact CE2-O 3.3Å; F279-A413 HydrophobicContact CZ-CB 3.78Å; F279-F414 HydrophobicContact CB-CD1 3.9Å; F279-F414 HydrophobicContact CB-CE1 3.94Å; F279-F414 HydrophobicContact CD1-CE1 4.18Å; F279-F414 HydrophobicContact CD2-CD1 4.26Å; F279-F414 HydrophobicContact CG-CD1 4.05Å; F279-F414 AromaticContact CG-CE1 3.97Å; F279-F414 HydrophobicContact CG-CE1 3.97Å; F279-T417 HydrophobicContact CD2-CG2 3.57Å; F279-T417 HydrophobicContact CE2-CG2 4.23Å
280R89.3Confident88.7Confident107 Ų10733.3 Ų33.340%0.40417%0.17SC..Hα-helixtrans-60.7-41.7171.3-73.9-171.3-68.5-162.3-3.7111.8Q276 D277 Q283 S284Q276-R280 WeakPolarHBondContact O-CB 3.3Å; Q276-R280 VanDerWaalsContact O-CG 3.31Å; Q276-R280 WeakPolarHBondContact O-CG 3.49Å; Q276-R280 PolarHBondContact O-N 2.98Å; D277-R280 PolarHBondContact O-N 3.06Å; D277-R280 IonicContact OD1-CZ 3.77Å; D277-R280 IonicContact OD1-NE 2.88Å; D277-R280 IonicContact OD1-NH2 3.72Å; D277-R280 PolarHBondContact OD1-NH2 2.81Å; R280-Q283 PolarHBondContact O-N 3.49Å; R280-S284 WeakPolarHBondContact O-CB 3.43Å; R280-S284 PolarHBondContact O-N 2.77Å; R280-S284 VanDerWaalsContact O-N 3.08Å
281D92.5Very high88.6Confident23 Ų2333 Ų3312%0.12317%0.168CC..Hα-helixtrans-62.5-43.1177-168.927000111.6R184 R215 D277 L278 F279 S284R184-D281 IonicContact CZ-OD1 3.48Å; R184-D281 IonicContact CZ-OD2 3.45Å; R184-D281 IonicContact NE-OD1 2.74Å; R184-D281 IonicContact NE-OD2 3.27Å; R184-D281 PolarHBondContact NE-OD2 3.3Å; R184-D281 IonicContact NH1-OD2 3.19Å; R184-D281 IonicContact NH2-OD1 3.31Å; R184-D281 PolarHBondContact NH2-OD1 2.97Å; R184-D281 IonicContact NH2-OD2 2.74Å; R215-D281 WeakPolarHBondContact CG-OD2 3.34Å; R215-D281 IonicContact CZ-OD2 3.93Å; R215-D281 IonicContact NE-OD2 3.15Å; R215-D281 PolarHBondContact NE-OD2 2.92Å; R215-D281 IonicContact NH2-OD1 2.69Å; R215-D281 IonicContact NH2-OD2 2.83Å; D277-D281 PolarHBondContact O-N 3.12Å; L278-D281 WeakPolarHBondContact O-CB 3.37Å; L278-D281 PolarHBondContact O-N 3.21Å; F279-D281 VanDerWaalsContact C-N 3.33Å; F279-D281 PolarHBondContact O-N 3.43Å; D281-S284 PolarHBondContact O-OG 3.05Å
282I93.7Very high88.5Confident0 Ų034.2 Ų34.20%017%0.173CC..Hα-helixtrans-70.5-43.1177.3-62.6169.5000111.7F74 L78 I149 I186 L278 F279 S284 L285 F414F74-I282 HydrophobicContact CZ-CD1 4.44Å; L78-I282 HydrophobicContact CD1-CD1 4.27Å; I149-I282 HydrophobicContact CD1-CG2 3.79Å; I186-I282 HydrophobicContact CD1-CD1 3.99Å; L278-I282 HydrophobicContact CD1-CD1 3.99Å; L278-I282 HydrophobicContact CD1-CG1 4.3Å; L278-I282 HydrophobicContact CG-CD1 4.02Å; L278-I282 WeakPolarHBondContact O-CG1 3.36Å; L278-I282 PolarHBondContact O-N 3.33Å; F279-I282 PolarHBondContact O-N 3.39Å; I282-S284 PolarHBondContact O-N 3.48Å; I282-L285 HydrophobicContact CG2-CD1 4.19Å; I282-L285 VanDerWaalsContact O-CB 3.3Å; I282-L285 WeakPolarHBondContact O-CB 3.48Å; I282-L285 WeakPolarHBondContact O-CG 3.37Å; I282-L285 PolarHBondContact O-N 2.77Å; I282-F414 HydrophobicContact CB-CE1 4.05Å; I282-F414 HydrophobicContact CB-CZ 4.2Å; I282-F414 HydrophobicContact CG2-CE1 3.99Å; I282-F414 HydrophobicContact CG2-CZ 3.67Å
283Q90.3Very high88.8Confident4 Ų432.6 Ų32.62%0.01916%0.164CC..Hα-helixtrans-59.8-30.9177.2-81174.7-15.800112.5F279 R280 L285 P286 M408 V409 F414F279-Q283 VanDerWaalsContact O-CB 3.29Å; F279-Q283 WeakPolarHBondContact O-CB 3.39Å; F279-Q283 VanDerWaalsContact O-CG 3.28Å; F279-Q283 WeakPolarHBondContact O-CG 3.3Å; F279-Q283 PolarHBondContact O-N 3.06Å; R280-Q283 PolarHBondContact O-N 3.49Å; Q283-L285 PolarHBondContact O-N 3.49Å; Q283-P286 WeakPolarHBondContact O-CD 3.46Å; Q283-M408 HydrophobicContact CB-CE 3.95Å; Q283-M408 HydrophobicContact CB-CG 4.46Å; Q283-M408 HydrophobicContact CG-CE 4.34Å; Q283-M408 WeakPolarHBondContact O-CA 3.45Å; Q283-M408 VanDerWaalsContact OE1-CE 3.24Å; Q283-V409 HydrophobicContact CG-CB 4.1Å; Q283-V409 PolarHBondContact O-N 2.75Å; Q283-F414 HydrophobicContact CG-CB 4.34Å; Q283-F414 HydrophobicContact CG-CD1 3.47Å; Q283-F414 VanDerWaalsContact CG-CD1 3.47Å; Q283-F414 HydrophobicContact CG-CE1 4.06Å; Q283-F414 HydrophobicContact CG-CG 4.1Å; Q283-F414 PolarHBondContact NE2-O 3.39Å
284S88.2Confident89.1Confident31 Ų3130.4 Ų30.422%0.21715%0.146CC..THydrogen-bonded Turntrans-74.3-10.5178.681.80000114.1R280 D281 I282 R287 N288R280-S284 WeakPolarHBondContact O-CB 3.43Å; R280-S284 PolarHBondContact O-N 2.77Å; R280-S284 VanDerWaalsContact O-N 3.08Å; D281-S284 PolarHBondContact O-OG 3.05Å; I282-S284 PolarHBondContact O-N 3.48Å; S284-R287 PolarHBondContact O-N 2.86Å; S284-N288 PolarHBondContact O-N 3.31Å; S284-N288 VanDerWaalsContact O-N 3.16Å; S284-N288 PolarHBondContact O-ND2 3.29Å
285L91.6Very high88.9Confident0 Ų032.6 Ų32.60%016%0.159CC..Hα-helixtrans-59.4-49.3-172.5-66.3177.3000113.5P59 V61 I149 D183 R184 I282 Q283 R287 N288 A289 R292P59-L285 HydrophobicContact CB-CB 4.02Å; P59-L285 HydrophobicContact CG-CB 4.43Å; V61-L285 HydrophobicContact CG2-CD1 3.4Å; I149-L285 HydrophobicContact CG2-CB 4.32Å; D183-L285 HydrophobicContact CB-CD2 4.14Å; R184-L285 HydrophobicContact CB-CD1 4.15Å; R184-L285 HydrophobicContact CB-CD2 4.23Å; I282-L285 HydrophobicContact CG2-CD1 4.19Å; I282-L285 VanDerWaalsContact O-CB 3.3Å; I282-L285 WeakPolarHBondContact O-CB 3.48Å; I282-L285 WeakPolarHBondContact O-CG 3.37Å; I282-L285 PolarHBondContact O-N 2.77Å; Q283-L285 PolarHBondContact O-N 3.49Å; L285-R287 VanDerWaalsContact C-N 3.35Å; L285-R287 PolarHBondContact O-N 3.14Å; L285-N288 PolarHBondContact O-N 2.92Å; L285-A289 PolarHBondContact O-N 3.46Å; L285-R292 VanDerWaalsContact CD2-CZ 3.48Å; L285-R292 PolarHBondContact O-NH1 3.23Å
286P87.9Confident88.9Confident16 Ų1633 Ų3310%0.10416%0.162CC..Hα-helixtrans-61.8-41.6-178.7-20.933.9000112.6P59 I149 Q283 N288 A289 Q407 V409P59-P286 HydrophobicContact CG-CB 4.46Å; I149-P286 HydrophobicContact CG2-CG 4.07Å; Q283-P286 WeakPolarHBondContact O-CD 3.46Å; P286-N288 VanDerWaalsContact C-N 3.31Å; P286-N288 PolarHBondContact O-N 3.39Å; P286-A289 WeakPolarHBondContact O-CB 3.34Å; P286-A289 PolarHBondContact O-N 3.08Å; P286-Q407 HydrophobicContact CB-CB 4.18Å; P286-V409 HydrophobicContact CG-CG2 4.06Å
287R81.4Confident89.1Confident122 Ų12231.9 Ų31.946%0.4616%0.157SC..Hα-helixtrans-57.1-44.7175.5-177.9-179.8176.11770.1112.1S284 L285 Q407S284-R287 PolarHBondContact O-N 2.86Å; L285-R287 VanDerWaalsContact C-N 3.35Å; L285-R287 PolarHBondContact O-N 3.14Å; R287-Q407 PolarHBondContact N-O 3.34Å
288N83.3Confident89.2Confident46 Ų4630.8 Ų30.825%0.24615%0.151CC..Hα-helixtrans-91.32.2-173.6-64.7-24.1000113.5S284 L285 P286 A290 L291 R292S284-N288 PolarHBondContact O-N 3.31Å; S284-N288 VanDerWaalsContact O-N 3.16Å; S284-N288 PolarHBondContact O-ND2 3.29Å; L285-N288 PolarHBondContact O-N 2.92Å; P286-N288 VanDerWaalsContact C-N 3.31Å; P286-N288 PolarHBondContact O-N 3.39Å; N288-A290 PolarHBondContact O-N 3.44Å; N288-L291 PolarHBondContact O-N 3.31Å; N288-R292 WeakPolarHBondContact O-CG 3.31Å; N288-R292 PolarHBondContact O-N 3.25Å
289A85.7Confident89Confident12 Ų1234.8 Ų34.810%0.09917%0.168CC..Hα-helixtrans-61.6-43.4-172.100000112.8P59 L285 P286 R292 K293P59-A289 HydrophobicContact CG-CB 3.78Å; L285-A289 PolarHBondContact O-N 3.46Å; P286-A289 WeakPolarHBondContact O-CB 3.34Å; P286-A289 PolarHBondContact O-N 3.08Å; A289-R292 PolarHBondContact O-N 3.04Å; A289-K293 WeakPolarHBondContact O-CG 3.32Å; A289-K293 PolarHBondContact O-N 3.13Å
290A84.6Confident89.1Confident23 Ų2335.9 Ų35.919%0.1917%0.172CC..Hα-helixtrans-62.1-45.1179.600000111.8V21 N288 K293 L294 V397V21-A290 HydrophobicContact CB-CB 4.21Å; V21-A290 HydrophobicContact CG1-CB 3.93Å; N288-A290 PolarHBondContact O-N 3.44Å; A290-K293 PolarHBondContact O-N 2.86Å; A290-L294 WeakPolarHBondContact O-CB 3.41Å; A290-L294 PolarHBondContact O-N 3.36Å; A290-V397 HydrophobicContact CB-CG2 4.41Å
291L85.9Confident89.4Confident54 Ų5430.8 Ų30.828%0.28315%0.153SC..Hα-helixtrans-61.7-43175.7-171.487.2000111.5N288 L294 N295 M394 V397N288-L291 PolarHBondContact O-N 3.31Å; L291-L294 WeakPolarHBondContact O-CB 3.5Å; L291-L294 PolarHBondContact O-N 2.85Å; L291-N295 PolarHBondContact O-N 3.12Å; L291-N295 PolarHBondContact O-ND2 2.95Å; L291-M394 HydrophobicContact CD1-CE 3.76Å; L291-M394 HydrophobicContact CD1-SD 3.91Å; L291-V397 HydrophobicContact CB-CG1 4.37Å; L291-V397 HydrophobicContact CD1-CG1 4.25Å
292R87.7Confident89.5Confident33 Ų3335.4 Ų35.413%0.12517%0.169CC..Hα-helixtrans-64.1-46.7177.9-71.6-166.5-166.2896.1112.1D183 L285 N288 A289 L294 N295 D296D183-R292 IonicContact OD1-NH1 3.29Å; L285-R292 VanDerWaalsContact CD2-CZ 3.48Å; L285-R292 PolarHBondContact O-NH1 3.23Å; N288-R292 WeakPolarHBondContact O-CG 3.31Å; N288-R292 PolarHBondContact O-N 3.25Å; A289-R292 PolarHBondContact O-N 3.04Å; R292-L294 VanDerWaalsContact C-N 3.27Å; R292-L294 PolarHBondContact O-N 3.45Å; R292-N295 WeakPolarHBondContact O-CB 3.4Å; R292-N295 PolarHBondContact O-N 3.39Å; R292-N295 VanDerWaalsContact O-N 3.1Å; R292-D296 PolarHBondContact O-N 3.34Å
293K89.2Confident89.6Confident37 Ų3737.6 Ų37.616%0.16118%0.18CC..Hα-helixtrans-59.4-38.7176.3-73.4176.6171.9174.50112.2L25 F55 N57 A289 A290 D296 L297L25-K293 HydrophobicContact CD1-CB 3.74Å; F55-K293 PolarHBondContact O-NZ 3.48Å; N57-K293 PolarHBondContact O-NZ 3.32Å; N57-K293 WeakPolarHBondContact OD1-CE 3.44Å; N57-K293 PolarHBondContact OD1-NZ 3.47Å; A289-K293 WeakPolarHBondContact O-CG 3.32Å; A289-K293 PolarHBondContact O-N 3.13Å; A290-K293 PolarHBondContact O-N 2.86Å; K293-D296 PolarHBondContact O-N 2.91Å; K293-L297 WeakPolarHBondContact O-CB 3.32Å; K293-L297 PolarHBondContact O-N 3.49Å
294L90.4Very high89.9Confident0 Ų037.5 Ų37.50%018%0.18CC..Hα-helixtrans-62.2-47.8172.8-176.876.9000111.6L25 A290 L291 R292 D296 L297 I298 I390 L393 M394L25-L294 HydrophobicContact CD2-CB 4.07Å; L25-L294 HydrophobicContact CD2-CD1 3.48Å; L25-L294 VanDerWaalsContact CD2-CD1 3.48Å; L25-L294 HydrophobicContact CD2-CG 4.37Å; A290-L294 WeakPolarHBondContact O-CB 3.41Å; A290-L294 PolarHBondContact O-N 3.36Å; L291-L294 WeakPolarHBondContact O-CB 3.5Å; L291-L294 PolarHBondContact O-N 2.85Å; R292-L294 VanDerWaalsContact C-N 3.27Å; R292-L294 PolarHBondContact O-N 3.45Å; L294-D296 VanDerWaalsContact C-N 3.34Å; L294-D296 PolarHBondContact O-N 3.27Å; L294-L297 PolarHBondContact O-N 2.98Å; L294-I298 HydrophobicContact CG-CD1 4.2Å; L294-I298 VanDerWaalsContact O-CG1 3.31Å; L294-I298 WeakPolarHBondContact O-CG1 3.4Å; L294-I298 PolarHBondContact O-N 2.87Å; L294-I390 HydrophobicContact CD1-CD1 3.41Å; L294-I390 VanDerWaalsContact CD1-CD1 3.41Å; L294-I390 HydrophobicContact CD1-CG2 4.3Å; L294-I390 HydrophobicContact CD2-CG2 4.5Å; L294-I390 HydrophobicContact CG-CD1 4.38Å; L294-L393 HydrophobicContact CD1-CB 4.13Å; L294-L393 HydrophobicContact CD1-CD1 4.04Å; L294-M394 HydrophobicContact CD2-CG 3.75Å; L294-M394 HydrophobicContact CD2-SD 3.15Å; L294-M394 WeakPolarHBondContact CD2-SD 3.41Å
295N89.1Confident90.3Very high68 Ų6837.7 Ų37.736%0.36418%0.177SC..Hα-helixtrans-60.9-41.9177.4-72.9-22.2000112.2L291 R292 I298 K299L291-N295 PolarHBondContact O-N 3.12Å; L291-N295 PolarHBondContact O-ND2 2.95Å; R292-N295 WeakPolarHBondContact O-CB 3.4Å; R292-N295 PolarHBondContact O-N 3.39Å; R292-N295 VanDerWaalsContact O-N 3.1Å; N295-I298 PolarHBondContact O-N 2.9Å; N295-K299 WeakPolarHBondContact O-CG 3.46Å; N295-K299 PolarHBondContact O-N 2.93Å
296D89.4Confident90.6Very high39 Ų3937.9 Ų37.921%0.20918%0.178CC..Hα-helixtrans-65.2-39177-74-18.8000111.4K213 R292 K293 L294 I298 K299 R300K213-D296 WeakPolarHBondContact CE-OD1 3.36Å; K213-D296 IonicContact NZ-OD1 3.14Å; K213-D296 PolarHBondContact NZ-OD1 2.95Å; K213-D296 IonicContact NZ-OD2 3.21Å; K213-D296 PolarHBondContact NZ-OD2 3.33Å; R292-D296 PolarHBondContact O-N 3.34Å; K293-D296 PolarHBondContact O-N 2.91Å; L294-D296 VanDerWaalsContact C-N 3.34Å; L294-D296 PolarHBondContact O-N 3.27Å; D296-I298 PolarHBondContact O-N 2.72Å; D296-K299 PolarHBondContact O-N 2.98Å; D296-R300 VanDerWaalsContact O-CB 3.31Å; D296-R300 WeakPolarHBondContact O-CB 3.15Å; D296-R300 PolarHBondContact O-N 3.16Å
297L92.6Very high91Very high4 Ų437.1 Ų37.12%0.02117%0.173CC..Hα-helixtrans-63.7-39.2173.4-173.965.1000111.9L25 Y29 L33 K293 L294 R300 A301L25-L297 HydrophobicContact CD2-CD2 3.67Å; Y29-L297 HydrophobicContact CD2-CD1 3.89Å; Y29-L297 HydrophobicContact CG-CD1 4.43Å; L33-L297 HydrophobicContact CD2-CD1 3.81Å; K293-L297 WeakPolarHBondContact O-CB 3.32Å; K293-L297 PolarHBondContact O-N 3.49Å; L294-L297 PolarHBondContact O-N 2.98Å; L297-R300 PolarHBondContact O-N 2.8Å; L297-A301 VanDerWaalsContact O-CB 3.28Å; L297-A301 WeakPolarHBondContact O-CB 3.45Å; L297-A301 PolarHBondContact O-N 3.26Å
298I93.1Very high91.8Very high27 Ų2731.3 Ų31.314%0.13815%0.151CC..Hα-helixtrans-64.3-48.8175.5-67.4163.6000110.7L294 N295 D296 R300 A301 R302 L386 I390L294-I298 HydrophobicContact CG-CD1 4.2Å; L294-I298 VanDerWaalsContact O-CG1 3.31Å; L294-I298 WeakPolarHBondContact O-CG1 3.4Å; L294-I298 PolarHBondContact O-N 2.87Å; N295-I298 PolarHBondContact O-N 2.9Å; D296-I298 PolarHBondContact O-N 2.72Å; I298-R300 VanDerWaalsContact C-N 3.32Å; I298-R300 PolarHBondContact O-N 2.66Å; I298-A301 PolarHBondContact O-N 3.09Å; I298-R302 WeakPolarHBondContact O-CG 3.03Å; I298-R302 PolarHBondContact O-N 3.43Å; I298-L386 HydrophobicContact CB-CD2 4.37Å; I298-L386 HydrophobicContact CG1-CD2 4.21Å; I298-L386 HydrophobicContact CG2-CD2 4.06Å; I298-I390 HydrophobicContact CD1-CD1 4.43Å; I298-I390 HydrophobicContact CD1-CG2 3.69Å; I298-I390 HydrophobicContact CG1-CD1 3.95Å; I298-I390 HydrophobicContact CG1-CG1 4.26Å; I298-I390 HydrophobicContact CG1-CG2 4.21Å
299K90.9Very high92.5Very high84 Ų8430.4 Ų30.437%0.36515%0.145SC..Hα-helixtrans-56.9-47.2176.9-72.7178.3-176.2176.60110.3D212 N295 D296 A301 R302 L303D212-K299 VanDerWaalsContact CG-NZ 3.33Å; D212-K299 IonicContact OD1-NZ 2.86Å; D212-K299 PolarHBondContact OD1-NZ 3.12Å; D212-K299 VanDerWaalsContact OD1-NZ 3.14Å; D212-K299 IonicContact OD2-NZ 3.75Å; D212-K299 PolarHBondContact OD2-NZ 3.09Å; N295-K299 WeakPolarHBondContact O-CG 3.46Å; N295-K299 PolarHBondContact O-N 2.93Å; D296-K299 PolarHBondContact O-N 2.98Å; K299-A301 PolarHBondContact O-N 3.27Å; K299-R302 PolarHBondContact O-N 2.99Å; K299-L303 PolarHBondContact O-N 3.24Å; K299-L303 VanDerWaalsContact O-N 3.08Å
300R93.8Very high93.1Very high24 Ų2429.9 Ų29.99%0.09114%0.14CC..Hα-helixtrans-61-44.2176.8-173179.4-179.895.23.3112.6L33 E37 F42 S47 P48 D296 L297 I298 R302 L303 A304L33-R300 HydrophobicContact CD2-CG 4.23Å; E37-R300 WeakPolarHBondContact OE1-CD 3.15Å; E37-R300 IonicContact OE1-CZ 3.36Å; E37-R300 IonicContact OE1-NE 3.97Å; E37-R300 PolarHBondContact OE1-NE 3.05Å; E37-R300 IonicContact OE1-NH2 2.81Å; E37-R300 PolarHBondContact OE1-NH2 2.66Å; E37-R300 IonicContact OE2-CZ 3.6Å; E37-R300 IonicContact OE2-NE 2.75Å; E37-R300 PolarHBondContact OE2-NE 3.49Å; E37-R300 IonicContact OE2-NH2 3.69Å; E37-R300 PolarHBondContact OE2-NH2 2.86Å; F42-R300 HydrophobicContact CZ-CG 4.44Å; S47-R300 PolarHBondContact O-NH2 2.93Å; S47-R300 PolarHBondContact OG-NH1 3.35Å; P48-R300 PolarHBondContact O-NH2 2.94Å; D296-R300 VanDerWaalsContact O-CB 3.31Å; D296-R300 WeakPolarHBondContact O-CB 3.15Å; D296-R300 PolarHBondContact O-N 3.16Å; L297-R300 PolarHBondContact O-N 2.8Å; I298-R300 VanDerWaalsContact C-N 3.32Å; I298-R300 PolarHBondContact O-N 2.66Å; R300-R302 PolarHBondContact O-N 2.77Å; R300-L303 PolarHBondContact O-N 3.14Å; R300-A304 WeakPolarHBondContact O-CB 3.47Å; R300-A304 PolarHBondContact O-N 3.31Å
301A95.9Very high93.7Very high0 Ų028.9 Ų28.90%013%0.131CC..Hα-helixtrans-62.3-41.7179.400000112.3L33 L297 I298 K299 A304 K305 V382 M385 L386L33-A301 HydrophobicContact CD1-CB 4.07Å; L33-A301 HydrophobicContact CD2-CB 3.95Å; L297-A301 VanDerWaalsContact O-CB 3.28Å; L297-A301 WeakPolarHBondContact O-CB 3.45Å; L297-A301 PolarHBondContact O-N 3.26Å; I298-A301 PolarHBondContact O-N 3.09Å; K299-A301 PolarHBondContact O-N 3.27Å; A301-A304 PolarHBondContact O-N 3.01Å; A301-K305 WeakPolarHBondContact O-CG 3.36Å; A301-K305 PolarHBondContact O-N 3.22Å; A301-V382 HydrophobicContact CB-CG1 4.07Å; A301-M385 HydrophobicContact CB-CE 3.62Å; A301-L386 HydrophobicContact CB-CD1 4.35Å; A301-L386 HydrophobicContact CB-CD2 4.02Å; A301-L386 HydrophobicContact CB-CG 4.42Å
302R95.1Very high94.3Very high120 Ų12026.6 Ų26.645%0.45312%0.12SC..Hα-helixtrans-61.7-50.3174.1-69.5-179.5-173.7175.22111.1I298 K299 R300 A304 K305 V306 L386I298-R302 WeakPolarHBondContact O-CG 3.03Å; I298-R302 PolarHBondContact O-N 3.43Å; K299-R302 PolarHBondContact O-N 2.99Å; R300-R302 PolarHBondContact O-N 2.77Å; R302-A304 VanDerWaalsContact C-N 3.3Å; R302-A304 PolarHBondContact O-N 2.75Å; R302-K305 WeakPolarHBondContact O-CB 3.46Å; R302-K305 PolarHBondContact O-N 2.96Å; R302-K305 VanDerWaalsContact O-N 3.12Å; R302-V306 WeakPolarHBondContact O-CG2 3.46Å; R302-V306 PolarHBondContact O-N 2.67Å; R302-L386 HydrophobicContact CG-CD1 4.48Å
303L94.8Very high94.7Very high46 Ų4625.8 Ų25.824%0.24112%0.12CC..Hα-helixtrans-58.6-41.9178.1-176.961.3000112.1F42 H46 K299 R300 K305 V306 H307 P354F42-L303 HydrophobicContact CE2-CB 4.47Å; F42-L303 HydrophobicContact CE2-CD2 4.24Å; F42-L303 HydrophobicContact CE2-CG 3.99Å; F42-L303 HydrophobicContact CZ-CD2 4.09Å; F42-L303 HydrophobicContact CZ-CG 4.32Å; H46-L303 HydrophobicContact CB-CD2 4.35Å; K299-L303 PolarHBondContact O-N 3.24Å; K299-L303 VanDerWaalsContact O-N 3.08Å; R300-L303 PolarHBondContact O-N 3.14Å; L303-K305 PolarHBondContact O-N 3.42Å; L303-V306 PolarHBondContact O-N 3.49Å; L303-H307 VanDerWaalsContact O-CB 3.3Å; L303-H307 WeakPolarHBondContact O-CB 3.44Å; L303-H307 PolarHBondContact O-N 3.25Å; L303-P354 HydrophobicContact CD1-CB 4.13Å; L303-P354 HydrophobicContact CD1-CG 4.34Å
304A97.1Very high95Very high2 Ų224 Ų242%0.01711%0.112CC..Hα-helixtrans-63.4-38.5177.100000112.7L33 L36 E37 F42 R300 A301 R302 A308L33-A304 HydrophobicContact CD1-CB 3.84Å; L36-A304 HydrophobicContact CD2-CB 4.27Å; E37-A304 HydrophobicContact CG-CB 4.12Å; F42-A304 HydrophobicContact CD2-CB 3.92Å; F42-A304 HydrophobicContact CE2-CB 3.91Å; R300-A304 WeakPolarHBondContact O-CB 3.47Å; R300-A304 PolarHBondContact O-N 3.31Å; A301-A304 PolarHBondContact O-N 3.01Å; R302-A304 VanDerWaalsContact C-N 3.3Å; R302-A304 PolarHBondContact O-N 2.75Å; A304-A308 WeakPolarHBondContact O-CB 3.48Å; A304-A308 PolarHBondContact O-N 2.98Å
305K96.8Very high95.3Very high35 Ų3527.1 Ų27.115%0.15213%0.125CC..Hα-helixtrans-63.9-48.1172.6-73.9-179.666.6-157.70111.9L36 A301 R302 L303 H307 A308 Y309 L379 V382 D383 L386L36-K305 HydrophobicContact CD2-CG 4.12Å; A301-K305 WeakPolarHBondContact O-CG 3.36Å; A301-K305 PolarHBondContact O-N 3.22Å; R302-K305 WeakPolarHBondContact O-CB 3.46Å; R302-K305 PolarHBondContact O-N 2.96Å; R302-K305 VanDerWaalsContact O-N 3.12Å; L303-K305 PolarHBondContact O-N 3.42Å; K305-H307 VanDerWaalsContact C-N 3.3Å; K305-H307 PolarHBondContact O-N 2.97Å; K305-A308 WeakPolarHBondContact O-CB 3.41Å; K305-A308 PolarHBondContact O-N 3.23Å; K305-Y309 WeakPolarHBondContact O-CD2 3.06Å; K305-Y309 PolarHBondContact O-N 2.88Å; K305-Y309 VanDerWaalsContact O-N 3.07Å; K305-L379 HydrophobicContact CB-CD2 4.18Å; K305-L379 HydrophobicContact CG-CD2 3.96Å; K305-V382 HydrophobicContact CD-CB 4.44Å; K305-V382 HydrophobicContact CD-CG1 3.88Å; K305-V382 HydrophobicContact CG-CB 4.37Å; K305-V382 HydrophobicContact CG-CG1 3.88Å; K305-D383 WeakPolarHBondContact CE-OD1 3.39Å; K305-D383 IonicContact NZ-OD1 2.65Å; K305-D383 PolarHBondContact NZ-OD1 3.36Å; K305-D383 IonicContact NZ-OD2 3.79Å; K305-L386 HydrophobicContact CD-CD1 4.2Å
306V97.3Very high95.6Very high3 Ų332.7 Ų32.72%0.01815%0.146CC..Hα-helixtrans-60-44.6178.3-178.90000110.4R302 L303 A308 Y309 I310 I348 D352 F353R302-V306 WeakPolarHBondContact O-CG2 3.46Å; R302-V306 PolarHBondContact O-N 2.67Å; L303-V306 PolarHBondContact O-N 3.49Å; V306-A308 PolarHBondContact O-N 3.06Å; V306-Y309 PolarHBondContact O-N 3.2Å; V306-I310 HydrophobicContact CG1-CD1 3.88Å; V306-I310 HydrophobicContact CG1-CG1 4.42Å; V306-I310 WeakPolarHBondContact O-CG1 3.34Å; V306-I310 PolarHBondContact O-N 3.29Å; V306-I348 HydrophobicContact CG2-CD1 4.25Å; V306-I348 HydrophobicContact CG2-CG2 3.63Å; V306-D352 HydrophobicContact CG2-CB 3.88Å; V306-F353 HydrophobicContact CG1-CD1 3.48Å; V306-F353 VanDerWaalsContact CG1-CD1 3.48Å; V306-F353 HydrophobicContact CG1-CD2 4.39Å; V306-F353 HydrophobicContact CG1-CE1 3.66Å; V306-F353 HydrophobicContact CG1-CG 3.89Å; V306-F353 HydrophobicContact CG1-CZ 4.21Å
307H97.9Very high95.8Very high1 Ų133.5 Ų33.51%0.00515%0.149CC..Hα-helixtrans-57.4-45.6174.5-178.373.8000112.4Y40 F42 F45 H46 L303 K305 Y309 I310 I311Y40-H307 PolarHBondContact O-CD2 3.3Å; Y40-H307 PolarHBondContact O-NE2 3.34Å; F42-H307 HydrophobicContact CD2-CB 4.17Å; F45-H307 AromaticContact CD2-CE1 3.36Å; F45-H307 WeakPolarHBondContact CD2-CE1 3.45Å; F45-H307 AromaticContact CD2-NE2 3.83Å; F45-H307 AromaticContact CE2-CE1 3.88Å; F45-H307 AromaticContact CG-CE1 3.55Å; H46-H307 AromaticContact CD2-CG 3.84Å; H46-H307 AromaticContact CD2-ND1 3.61Å; H46-H307 AromaticContact NE2-CE1 3.74Å; H46-H307 AromaticContact NE2-CG 3.47Å; H46-H307 AromaticContact NE2-ND1 2.95Å; H46-H307 PolarHBondContact NE2-ND1 3.47Å; L303-H307 VanDerWaalsContact O-CB 3.3Å; L303-H307 WeakPolarHBondContact O-CB 3.44Å; L303-H307 PolarHBondContact O-N 3.25Å; K305-H307 VanDerWaalsContact C-N 3.3Å; K305-H307 PolarHBondContact O-N 2.97Å; H307-Y309 VanDerWaalsContact C-N 3.31Å; H307-Y309 PolarHBondContact O-N 3.36Å; H307-I310 PolarHBondContact O-N 2.99Å; H307-I311 VanDerWaalsContact CE1-CG1 3.47Å; H307-I311 WeakPolarHBondContact CE1-CG1 3.44Å; H307-I311 WeakPolarHBondContact NE2-CG1 3.49Å; H307-I311 WeakPolarHBondContact O-CG1 3.4Å; H307-I311 PolarHBondContact O-N 3.21Å
308A98Very high95.8Very high0 Ų034.4 Ų34.40%015%0.153CC..Hα-helixtrans-58.4-41.5176.400000112.5L36 Y40 A304 K305 V306 S312 L379L36-A308 HydrophobicContact CD1-CB 4.07Å; L36-A308 HydrophobicContact CG-CB 4.47Å; Y40-A308 HydrophobicContact CD1-CB 4.3Å; Y40-A308 HydrophobicContact CD2-CB 3.33Å; Y40-A308 HydrophobicContact CE2-CB 3.57Å; Y40-A308 HydrophobicContact CG-CB 3.73Å; A304-A308 WeakPolarHBondContact O-CB 3.48Å; A304-A308 PolarHBondContact O-N 2.98Å; K305-A308 WeakPolarHBondContact O-CB 3.41Å; K305-A308 PolarHBondContact O-N 3.23Å; V306-A308 PolarHBondContact O-N 3.06Å; A308-S312 WeakPolarHBondContact O-CB 3.43Å; A308-S312 PolarHBondContact O-N 3.25Å; A308-S312 PolarHBondContact O-OG 3.22Å; A308-L379 HydrophobicContact CB-CD2 4.14Å
309Y98.1Very high95.8Very high27 Ų2735.3 Ų35.311%0.10616%0.161CC..Hα-helixtrans-65-43.8174.4-69-56.4000112.4K305 V306 H307 S312 S313 I342 H346 I348 L374 L379K305-Y309 WeakPolarHBondContact O-CD2 3.06Å; K305-Y309 PolarHBondContact O-N 2.88Å; K305-Y309 VanDerWaalsContact O-N 3.07Å; V306-Y309 PolarHBondContact O-N 3.2Å; H307-Y309 VanDerWaalsContact C-N 3.31Å; H307-Y309 PolarHBondContact O-N 3.36Å; Y309-S312 PolarHBondContact O-N 2.81Å; Y309-S313 WeakPolarHBondContact O-CB 3.39Å; Y309-S313 PolarHBondContact O-N 2.65Å; Y309-I342 HydrophobicContact CG-CG2 4.39Å; Y309-H346 AromaticContact CD1-CD2 3.82Å; Y309-H346 AromaticContact CD1-CE1 3.75Å; Y309-H346 AromaticContact CD1-NE2 3.47Å; Y309-H346 WeakPolarHBondContact CD1-NE2 3.29Å; Y309-H346 AromaticContact CE1-CD2 3.98Å; Y309-H346 AromaticContact CE1-CE1 3.34Å; Y309-H346 WeakPolarHBondContact CE1-CE1 3.47Å; Y309-H346 AromaticContact CE1-CG 3.97Å; Y309-H346 AromaticContact CE1-ND1 3.58Å; Y309-H346 AromaticContact CE1-NE2 3.58Å; Y309-H346 HydrophobicContact CE2-CB 4.33Å; Y309-H346 AromaticContact CZ-CE1 3.91Å; Y309-H346 AromaticContact CZ-CG 3.89Å; Y309-H346 AromaticContact CZ-ND1 3.64Å; Y309-I348 HydrophobicContact CD2-CD1 3.65Å; Y309-I348 HydrophobicContact CE2-CD1 3.84Å; Y309-L374 HydrophobicContact CD1-CD1 3.81Å; Y309-L374 HydrophobicContact CE1-CD1 4.04Å; Y309-L374 HydrophobicContact CE1-CD2 4.42Å; Y309-L379 HydrophobicContact CD1-CD1 4.26Å; Y309-L379 HydrophobicContact CE1-CD1 3.52Å; Y309-L379 HydrophobicContact CE2-CD2 4.45Å
310I97.7Very high95.5Very high0 Ų036.5 Ų36.50%018%0.18CC..Hα-helixtrans-59.1-55.4177.4-66.4162.6000110V306 H307 S312 S313 L314 L335 Y339 I342 F353 P354 M359V306-I310 HydrophobicContact CG1-CD1 3.88Å; V306-I310 HydrophobicContact CG1-CG1 4.42Å; V306-I310 WeakPolarHBondContact O-CG1 3.34Å; V306-I310 PolarHBondContact O-N 3.29Å; H307-I310 PolarHBondContact O-N 2.99Å; I310-S312 VanDerWaalsContact C-N 3.32Å; I310-S312 PolarHBondContact O-N 2.98Å; I310-S313 PolarHBondContact O-N 2.89Å; I310-L314 HydrophobicContact CG2-CD1 3.92Å; I310-L314 HydrophobicContact CG2-CG 4.43Å; I310-L314 VanDerWaalsContact O-CG 3.27Å; I310-L314 WeakPolarHBondContact O-CG 3.23Å; I310-L314 PolarHBondContact O-N 2.87Å; I310-L335 HydrophobicContact CG2-CD1 4.26Å; I310-Y339 HydrophobicContact CD1-CD1 4.2Å; I310-Y339 HydrophobicContact CD1-CE1 3.43Å; I310-Y339 VanDerWaalsContact CD1-CE1 3.43Å; I310-Y339 HydrophobicContact CG1-CD1 4.18Å; I310-Y339 HydrophobicContact CG1-CE1 3.74Å; I310-Y339 HydrophobicContact CG2-CE1 4.31Å; I310-I342 HydrophobicContact CB-CD1 4.43Å; I310-I342 HydrophobicContact CG1-CD1 3.89Å; I310-F353 HydrophobicContact CD1-CD1 4.31Å; I310-P354 HydrophobicContact CD1-CG 3.98Å; I310-M359 HydrophobicContact CG2-CE 3.97Å
311I97.8Very high94.8Very high2 Ų240.8 Ų40.81%0.0121%0.208CC..Hα-helixtrans-60.4-42.3-178.4-63.6-57.2000111.5Y40 F45 H307 L314 K315 M359 L363 F371Y40-I311 HydrophobicContact CD1-CB 4.17Å; Y40-I311 HydrophobicContact CD1-CG2 4Å; F45-I311 HydrophobicContact CE2-CD1 4.09Å; F45-I311 HydrophobicContact CZ-CD1 3.91Å; H307-I311 VanDerWaalsContact CE1-CG1 3.47Å; H307-I311 WeakPolarHBondContact CE1-CG1 3.44Å; H307-I311 WeakPolarHBondContact NE2-CG1 3.49Å; H307-I311 WeakPolarHBondContact O-CG1 3.4Å; H307-I311 PolarHBondContact O-N 3.21Å; I311-L314 PolarHBondContact O-N 2.8Å; I311-K315 WeakPolarHBondContact O-CB 3.41Å; I311-K315 PolarHBondContact O-N 3.36Å; I311-M359 HydrophobicContact CD1-CE 4.21Å; I311-L363 HydrophobicContact CD1-CD2 4.38Å; I311-F371 HydrophobicContact CD1-CD2 4.41Å; I311-F371 HydrophobicContact CD1-CE1 4.26Å; I311-F371 HydrophobicContact CD1-CE2 3.97Å; I311-F371 HydrophobicContact CD1-CZ 3.89Å; I311-F371 HydrophobicContact CG2-CB 3.77Å; I311-F371 HydrophobicContact CG2-CD1 4.05Å; I311-F371 HydrophobicContact CG2-CD2 3.98Å; I311-F371 HydrophobicContact CG2-CG 3.68Å
312S97.2Very high94.4Very high7 Ų749.5 Ų49.55%0.04925%0.247CC..Hα-helixtrans-66.4-39.9178.4-60.60000112.5Y40 A308 Y309 I310 K315 K316 L374Y40-S312 WeakPolarHBondContact CE1-OG 3.37Å; A308-S312 WeakPolarHBondContact O-CB 3.43Å; A308-S312 PolarHBondContact O-N 3.25Å; A308-S312 PolarHBondContact O-OG 3.22Å; Y309-S312 PolarHBondContact O-N 2.81Å; I310-S312 VanDerWaalsContact C-N 3.32Å; I310-S312 PolarHBondContact O-N 2.98Å; S312-K315 PolarHBondContact O-N 2.88Å; S312-K316 WeakPolarHBondContact O-CB 3.48Å; S312-K316 PolarHBondContact O-N 3.19Å; S312-L374 WeakPolarHBondContact OG-CA 3.46Å; S312-L374 WeakPolarHBondContact OG-CD1 3.33Å; S312-L374 PolarHBondContact OG-N 3.18Å
313S96.7Very high94.1Very high16 Ų1645.9 Ų45.911%0.11225%0.246CC..Hα-helixtrans-63.8-45.7176.3-178.10000111Y309 I310 K315 K316 E317 R341Y309-S313 WeakPolarHBondContact O-CB 3.39Å; Y309-S313 PolarHBondContact O-N 2.65Å; I310-S313 PolarHBondContact O-N 2.89Å; S313-K315 VanDerWaalsContact C-N 3.33Å; S313-K315 PolarHBondContact O-N 3.13Å; S313-K316 PolarHBondContact O-N 3.16Å; S313-E317 PolarHBondContact O-N 3.49Å; S313-R341 PolarHBondContact OG-NH2 3.49Å
314L96.3Very high93.9Very high0 Ų047.2 Ų47.20%025%0.25CS..Hα-helixtrans-60.5-43.7175-65.2171.8000110.9I310 I311 K316 E317 M318 L331 L335 I338 L363 F368 F371I310-L314 HydrophobicContact CG2-CD1 3.92Å; I310-L314 HydrophobicContact CG2-CG 4.43Å; I310-L314 VanDerWaalsContact O-CG 3.27Å; I310-L314 WeakPolarHBondContact O-CG 3.23Å; I310-L314 PolarHBondContact O-N 2.87Å; I311-L314 PolarHBondContact O-N 2.8Å; L314-K316 VanDerWaalsContact C-N 3.35Å; L314-K316 PolarHBondContact O-N 2.93Å; L314-E317 PolarHBondContact O-N 3.18Å; L314-M318 VanDerWaalsContact O-CG 3.25Å; L314-M318 WeakPolarHBondContact O-CG 3.47Å; L314-M318 PolarHBondContact O-N 2.85Å; L314-L331 HydrophobicContact CD2-CB 3.88Å; L314-L331 HydrophobicContact CD2-CD1 4.31Å; L314-L331 HydrophobicContact CD2-CD2 4.49Å; L314-L331 HydrophobicContact CD2-CG 4.46Å; L314-L335 HydrophobicContact CD2-CD1 4.43Å; L314-I338 HydrophobicContact CD2-CD1 3.67Å; L314-L363 HydrophobicContact CD1-CD1 3.85Å; L314-L363 HydrophobicContact CD1-CD2 3.73Å; L314-L363 HydrophobicContact CD1-CG 4.48Å; L314-F368 HydrophobicContact CB-CD2 4.19Å; L314-F368 HydrophobicContact CB-CE2 4.02Å; L314-F368 HydrophobicContact CD1-CE2 4.03Å; L314-F368 HydrophobicContact CD1-CZ 3.99Å; L314-F368 HydrophobicContact CD2-CE2 3.93Å; L314-F368 HydrophobicContact CD2-CZ 4.48Å; L314-F368 HydrophobicContact CG-CE2 4.21Å; L314-F371 HydrophobicContact CB-CD2 4.16Å; L314-F371 HydrophobicContact CB-CE2 4.25Å; L314-F371 HydrophobicContact CD1-CE2 4.08Å
315K95.9Very high93.6Very high65 Ų6552.9 Ų52.928%0.28328%0.28SS..Hα-helixtrans-60.9-41.5176.3179.855.4173.9-171.60112.6I311 S312 S313 E317 M318 S369 F371I311-K315 WeakPolarHBondContact O-CB 3.41Å; I311-K315 PolarHBondContact O-N 3.36Å; S312-K315 PolarHBondContact O-N 2.88Å; S313-K315 VanDerWaalsContact C-N 3.33Å; S313-K315 PolarHBondContact O-N 3.13Å; K315-E317 VanDerWaalsContact C-N 3.29Å; K315-E317 PolarHBondContact O-N 3.04Å; K315-M318 PolarHBondContact O-N 3.35Å; K315-S369 PolarHBondContact NZ-O 3.19Å; K315-F371 HydrophobicContact CB-CB 3.87Å; K315-F371 HydrophobicContact CD-CB 4.18Å; K315-F371 WeakPolarHBondContact CD-O 3.35Å; K315-F371 WeakPolarHBondContact CE-O 3.15Å; K315-F371 HydrophobicContact CG-CB 4.33Å; K315-F371 WeakPolarHBondContact CG-O 3.33Å
316K95Very high93.4Very high185 Ų18556.9 Ų56.980%0.80430%0.303SS*.Hα-helixtrans-63.3-33.9-179.3-175.2-179.5176.1-175.10112.5S312 S313 L314S312-K316 WeakPolarHBondContact O-CB 3.48Å; S312-K316 PolarHBondContact O-N 3.19Å; S313-K316 PolarHBondContact O-N 3.16Å; L314-K316 VanDerWaalsContact C-N 3.35Å; L314-K316 PolarHBondContact O-N 2.93Å
317E93.9Very high93.3Very high55 Ų5559 Ų5926%0.25731%0.312SS..Hα-helixtrans-88-6.9-179.1-67.6-164.3-148.100114.5S313 L314 K315 K327 L331 R341S313-E317 PolarHBondContact O-N 3.49Å; L314-E317 PolarHBondContact O-N 3.18Å; K315-E317 VanDerWaalsContact C-N 3.29Å; K315-E317 PolarHBondContact O-N 3.04Å; E317-K327 WeakPolarHBondContact O-CE 3.19Å; E317-K327 IonicContact OE2-NZ 3.43Å; E317-L331 HydrophobicContact CB-CD1 4.13Å; E317-L331 HydrophobicContact CB-CD2 3.78Å; E317-L331 HydrophobicContact CG-CD2 4.35Å; E317-L331 WeakPolarHBondContact OE2-CD2 3.39Å; E317-R341 IonicContact OE1-CZ 3.01Å; E317-R341 VanDerWaalsContact OE1-CZ 3.24Å; E317-R341 IonicContact OE1-NH1 3.77Å; E317-R341 PolarHBondContact OE1-NH1 3.49Å; E317-R341 IonicContact OE1-NH2 3.93Å; E317-R341 PolarHBondContact OE1-NH2 2.7Å
318M93.4Very high93.1Very high24 Ų2460.8 Ų60.812%0.11832%0.32CS..SBendtrans-78.2133-179.5-78.6-69.6-64.200112.3L314 K315 K324 K327 K328 L331 F368L314-M318 VanDerWaalsContact O-CG 3.25Å; L314-M318 WeakPolarHBondContact O-CG 3.47Å; L314-M318 PolarHBondContact O-N 2.85Å; K315-M318 PolarHBondContact O-N 3.35Å; M318-K324 HydrophobicContact CE-CB 3.78Å; M318-K324 HydrophobicContact CE-CG 4Å; M318-K327 HydrophobicContact SD-CB 4.49Å; M318-K327 HydrophobicContact SD-CG 4.4Å; M318-K328 HydrophobicContact SD-CB 4.46Å; M318-L331 HydrophobicContact CG-CD1 4.18Å; M318-L331 HydrophobicContact SD-CD1 3.94Å; M318-F368 HydrophobicContact CE-CB 3.78Å; M318-F368 HydrophobicContact CG-CB 3.9Å; M318-F368 HydrophobicContact CG-CD2 3.97Å; M318-F368 HydrophobicContact CG-CG 4.48Å; M318-F368 HydrophobicContact SD-CB 3.92Å; M318-F368 HydrophobicContact SD-CD2 3.77Å; M318-F368 HydrophobicContact SD-CG 4.31Å
319P91.4Very high93Very high45 Ų4567.4 Ų67.429%0.29235%0.349SS..  trans-70.8148.1176.329.4-35.3000111.1F322 K324 K327P319-F322 WeakPolarHBondContact CB-O 3.39Å; P319-F322 VanDerWaalsContact CG-O 3.24Å; P319-F322 WeakPolarHBondContact CG-O 3.41Å; P319-K324 HydrophobicContact CG-CG 4.11Å; P319-K324 WeakPolarHBondContact O-CE 3.48Å; P319-K327 HydrophobicContact CG-CB 4.28Å
320S85.8Confident92.9Very high110 Ų11070.3 Ų70.377%0.76936%0.363SS*.SBendtrans-73.4-31.9-175.4-680000113.7K324S320-K324 WeakPolarHBondContact O-CE 3.33Å; S320-K324 PolarHBondContact O-NZ 2.79Å
321V79.6Confident92.8Very high114 Ų11470.4 Ų70.469%0.69136%0.364SS*.SBendtrans-127.2-62.3-167.3-1660000113.6
322F86.1Confident92.8Very high183 Ų18370.6 Ų70.680%0.80337%0.365SS*.SBendtrans-112.5155.5-175.8-96.5-93.6000113.1P319P319-F322 WeakPolarHBondContact CB-O 3.39Å; P319-F322 VanDerWaalsContact CG-O 3.24Å; P319-F322 WeakPolarHBondContact CG-O 3.41Å
323G89.1Confident92.7Very high43 Ų4375.8 Ų75.844%0.44339%0.392SS..  trans79.113.8172.300000115.9D325 N326 K327G323-D325 PolarHBondContact O-N 3.16Å; G323-N326 PolarHBondContact O-N 3.49Å; G323-K327 PolarHBondContact O-N 3.06Å
324K89.9Confident92.7Very high74 Ų7478.2 Ų78.232%0.32240%0.404SS..Hα-helixtrans-57.4-43.7-175.4-68.8-179.7-179.4172.90113.3M318 P319 S320 K327 K328M318-K324 HydrophobicContact CE-CB 3.78Å; M318-K324 HydrophobicContact CE-CG 4Å; P319-K324 HydrophobicContact CG-CG 4.11Å; P319-K324 WeakPolarHBondContact O-CE 3.48Å; S320-K324 WeakPolarHBondContact O-CE 3.33Å; S320-K324 PolarHBondContact O-NZ 2.79Å; K324-K327 PolarHBondContact O-N 3.43Å; K324-K328 VanDerWaalsContact O-CB 3.31Å; K324-K328 WeakPolarHBondContact O-CB 3.4Å; K324-K328 PolarHBondContact O-N 3.3Å
325D91.3Very high92.7Very high121 Ų12178.2 Ų78.265%0.64740%0.404SS*.Hα-helixtrans-68.9-41.2-176.7-61.9-40.4000112.6G323 K328 K329G323-D325 PolarHBondContact O-N 3.16Å; D325-K328 PolarHBondContact O-N 2.82Å; D325-K329 WeakPolarHBondContact O-CG 3.46Å; D325-K329 PolarHBondContact O-N 3.07Å; D325-K329 VanDerWaalsContact O-N 3.09Å
326N93.3Very high92.8Very high120 Ų12077.8 Ų77.864%0.64241%0.412SS*.Hα-helixtrans-66-45176-71.7-13.5000110.7G323 K328 K329 E330G323-N326 PolarHBondContact O-N 3.49Å; N326-K328 PolarHBondContact O-N 3.34Å; N326-K329 PolarHBondContact O-N 3.06Å; N326-E330 PolarHBondContact O-N 3.1Å
327K94.6Very high92.9Very high46 Ų4675.5 Ų75.520%0.241%0.405CS..Hα-helixtrans-64.6-39.2177.6-171.362.6177.9174.70111.9E317 M318 P319 G323 K324 K329 E330 L331E317-K327 WeakPolarHBondContact O-CE 3.19Å; E317-K327 IonicContact OE2-NZ 3.43Å; M318-K327 HydrophobicContact SD-CB 4.49Å; M318-K327 HydrophobicContact SD-CG 4.4Å; P319-K327 HydrophobicContact CG-CB 4.28Å; G323-K327 PolarHBondContact O-N 3.06Å; K324-K327 PolarHBondContact O-N 3.43Å; K327-K329 PolarHBondContact O-N 2.92Å; K327-E330 WeakPolarHBondContact CD-OE2 3.3Å; K327-E330 IonicContact NZ-OE1 3.91Å; K327-E330 PolarHBondContact NZ-OE1 2.87Å; K327-E330 IonicContact NZ-OE2 3.41Å; K327-E330 WeakPolarHBondContact O-CB 3.28Å; K327-E330 PolarHBondContact O-N 3.33Å; K327-L331 HydrophobicContact CD-CG 4.39Å; K327-L331 HydrophobicContact CG-CD1 4.07Å; K327-L331 HydrophobicContact CG-CG 4.26Å; K327-L331 WeakPolarHBondContact O-CB 3.31Å; K327-L331 VanDerWaalsContact O-CG 3.24Å; K327-L331 WeakPolarHBondContact O-CG 3.27Å; K327-L331 PolarHBondContact O-N 2.82Å
328K94.8Very high93Very high39 Ų3973.3 Ų73.317%0.1740%0.395CS..Hα-helixtrans-57.6-48.9173.7175.3-178.7167.9-173.70111.4M318 K324 D325 N326 E330 L331 V332 L363 Q364 Q366 F368M318-K328 HydrophobicContact SD-CB 4.46Å; K324-K328 VanDerWaalsContact O-CB 3.31Å; K324-K328 WeakPolarHBondContact O-CB 3.4Å; K324-K328 PolarHBondContact O-N 3.3Å; D325-K328 PolarHBondContact O-N 2.82Å; N326-K328 PolarHBondContact O-N 3.34Å; K328-E330 VanDerWaalsContact C-N 3.33Å; K328-E330 PolarHBondContact O-N 2.79Å; K328-L331 PolarHBondContact O-N 2.88Å; K328-V332 HydrophobicContact CG-CG2 4.48Å; K328-V332 WeakPolarHBondContact O-CG2 3.39Å; K328-V332 PolarHBondContact O-N 3.25Å; K328-L363 VanDerWaalsContact CE-O 3.25Å; K328-L363 WeakPolarHBondContact CE-O 3.34Å; K328-Q364 PolarHBondContact NZ-O 3.1Å; K328-Q366 VanDerWaalsContact CE-O 3.27Å; K328-Q366 WeakPolarHBondContact CE-O 3.01Å; K328-Q366 PolarHBondContact NZ-O 3.25Å; K328-F368 HydrophobicContact CB-CD2 4.45Å; K328-F368 HydrophobicContact CD-CD1 4.12Å; K328-F368 HydrophobicContact CD-CE1 4.27Å; K328-F368 HydrophobicContact CD-CG 4.42Å; K328-F368 HydrophobicContact CG-CD1 4.18Å; K328-F368 HydrophobicContact CG-CD2 4.17Å; K328-F368 HydrophobicContact CG-CE1 4.08Å; K328-F368 HydrophobicContact CG-CE2 4.06Å; K328-F368 HydrophobicContact CG-CG 4.23Å; K328-F368 HydrophobicContact CG-CZ 4.02Å
329K95.2Very high93.2Very high139 Ų13973.2 Ų73.260%0.60439%0.393SS*.Hα-helixtrans-59.8-44.1177.8-72.7177.3-178.2178.30111.8D325 N326 K327 V332 N333D325-K329 WeakPolarHBondContact O-CG 3.46Å; D325-K329 PolarHBondContact O-N 3.07Å; D325-K329 VanDerWaalsContact O-N 3.09Å; N326-K329 PolarHBondContact O-N 3.06Å; K327-K329 PolarHBondContact O-N 2.92Å; K329-V332 PolarHBondContact O-N 3.35Å; K329-N333 WeakPolarHBondContact O-CB 3.43Å; K329-N333 PolarHBondContact O-N 3.06Å; K329-N333 PolarHBondContact O-ND2 3.38Å
330E96.2Very high93.5Very high88 Ų8872 Ų7241%0.41139%0.389SS..Hα-helixtrans-58.5-50.3175.5-174-161.8136.600111.7N326 K327 K328 V332 N333 N334N326-E330 PolarHBondContact O-N 3.1Å; K327-E330 WeakPolarHBondContact CD-OE2 3.3Å; K327-E330 IonicContact NZ-OE1 3.91Å; K327-E330 PolarHBondContact NZ-OE1 2.87Å; K327-E330 IonicContact NZ-OE2 3.41Å; K327-E330 WeakPolarHBondContact O-CB 3.28Å; K327-E330 PolarHBondContact O-N 3.33Å; K328-E330 VanDerWaalsContact C-N 3.33Å; K328-E330 PolarHBondContact O-N 2.79Å; E330-V332 PolarHBondContact O-N 2.86Å; E330-N333 PolarHBondContact O-N 3.37Å; E330-N334 WeakPolarHBondContact O-CB 3.49Å; E330-N334 PolarHBondContact O-N 2.65Å
331L96.1Very high94Very high3 Ų370.5 Ų70.52%0.01637%0.367CS..Hα-helixtrans-62.2-41180-71.1172.5000112.9L314 E317 M318 K327 K328 N334 L335 I338 F368L314-L331 HydrophobicContact CD2-CB 3.88Å; L314-L331 HydrophobicContact CD2-CD1 4.31Å; L314-L331 HydrophobicContact CD2-CD2 4.49Å; L314-L331 HydrophobicContact CD2-CG 4.46Å; E317-L331 HydrophobicContact CB-CD1 4.13Å; E317-L331 HydrophobicContact CB-CD2 3.78Å; E317-L331 HydrophobicContact CG-CD2 4.35Å; E317-L331 WeakPolarHBondContact OE2-CD2 3.39Å; M318-L331 HydrophobicContact CG-CD1 4.18Å; M318-L331 HydrophobicContact SD-CD1 3.94Å; K327-L331 HydrophobicContact CD-CG 4.39Å; K327-L331 HydrophobicContact CG-CD1 4.07Å; K327-L331 HydrophobicContact CG-CG 4.26Å; K327-L331 WeakPolarHBondContact O-CB 3.31Å; K327-L331 VanDerWaalsContact O-CG 3.24Å; K327-L331 WeakPolarHBondContact O-CG 3.27Å; K327-L331 PolarHBondContact O-N 2.82Å; K328-L331 PolarHBondContact O-N 2.88Å; L331-N334 CarbonylContact O-C 3.53Å; L331-N334 PolarHBondContact O-N 3.47Å; L331-L335 PolarHBondContact O-N 2.98Å; L331-L335 VanDerWaalsContact O-N 3.13Å; L331-I338 HydrophobicContact CB-CD1 4.46Å; L331-I338 HydrophobicContact CD2-CD1 3.9Å; L331-F368 HydrophobicContact CB-CE2 4.3Å; L331-F368 HydrophobicContact CD1-CD2 4.28Å; L331-F368 HydrophobicContact CD1-CE2 4.2Å
332V96.3Very high94.8Very high6 Ų665.2 Ų65.24%0.03633%0.334CS..Hα-helixtrans-65.4-43.6177171.60000110.5K328 K329 E330 N334 L335 Q360 L363 Q364 F368K328-V332 HydrophobicContact CG-CG2 4.48Å; K328-V332 WeakPolarHBondContact O-CG2 3.39Å; K328-V332 PolarHBondContact O-N 3.25Å; K329-V332 PolarHBondContact O-N 3.35Å; E330-V332 PolarHBondContact O-N 2.86Å; V332-N334 VanDerWaalsContact C-N 3.32Å; V332-N334 PolarHBondContact O-N 2.91Å; V332-L335 WeakPolarHBondContact O-CB 2.92Å; V332-L335 PolarHBondContact O-N 3.14Å; V332-Q360 HydrophobicContact CG1-CB 3.91Å; V332-Q360 HydrophobicContact CG1-CG 4.09Å; V332-Q360 WeakPolarHBondContact O-CG 3.43Å; V332-Q360 PolarHBondContact O-NE2 3.13Å; V332-L363 HydrophobicContact CG2-CB 3.88Å; V332-Q364 HydrophobicContact CG1-CG 4.37Å; V332-F368 HydrophobicContact CG2-CZ 3.82Å
333N96.2Very high95.3Very high115 Ų11560 Ų6062%0.61531%0.312SS*.Hα-helixtrans-65.4-37.2178.4-70.3-14.1000112.1K329 E330 L335K329-N333 WeakPolarHBondContact O-CB 3.43Å; K329-N333 PolarHBondContact O-N 3.06Å; K329-N333 PolarHBondContact O-ND2 3.38Å; E330-N333 PolarHBondContact O-N 3.37Å; N333-L335 VanDerWaalsContact C-N 3.32Å; N333-L335 PolarHBondContact O-N 3.41Å
334N96.4Very high95.6Very high67 Ų6767 Ų6736%0.35833%0.326SS..THydrogen-bonded Turntrans-9318.4-179.1-63.5-14.6000113.4E330 L331 V332 A336 E337 I338E330-N334 WeakPolarHBondContact O-CB 3.49Å; E330-N334 PolarHBondContact O-N 2.65Å; L331-N334 CarbonylContact O-C 3.53Å; L331-N334 PolarHBondContact O-N 3.47Å; V332-N334 VanDerWaalsContact C-N 3.32Å; V332-N334 PolarHBondContact O-N 2.91Å; N334-A336 PolarHBondContact O-N 3.21Å; N334-A336 VanDerWaalsContact O-N 3.13Å; N334-E337 PolarHBondContact O-N 3.22Å; N334-I338 PolarHBondContact O-N 3.19Å
335L97.1Very high95.9Very high0 Ų069.4 Ų69.40%034%0.338CS..Hα-helixtrans-58.7-30.1-176.2-172.265000113.1I310 L314 L331 V332 N333 E337 I338 Y339 L356 M359 Q360 L363I310-L335 HydrophobicContact CG2-CD1 4.26Å; L314-L335 HydrophobicContact CD2-CD1 4.43Å; L331-L335 PolarHBondContact O-N 2.98Å; L331-L335 VanDerWaalsContact O-N 3.13Å; V332-L335 WeakPolarHBondContact O-CB 2.92Å; V332-L335 PolarHBondContact O-N 3.14Å; N333-L335 VanDerWaalsContact C-N 3.32Å; N333-L335 PolarHBondContact O-N 3.41Å; L335-E337 VanDerWaalsContact C-N 3.34Å; L335-E337 PolarHBondContact O-N 3.18Å; L335-I338 HydrophobicContact CD1-CB 4.42Å; L335-I338 HydrophobicContact CD1-CD1 4.41Å; L335-I338 WeakPolarHBondContact O-CB 3.32Å; L335-I338 PolarHBondContact O-N 2.76Å; L335-Y339 HydrophobicContact CD1-CD1 4.11Å; L335-Y339 HydrophobicContact CD1-CE1 3.7Å; L335-Y339 HydrophobicContact CD2-CE1 3.99Å; L335-Y339 HydrophobicContact CG-CD1 4.04Å; L335-Y339 HydrophobicContact CG-CE1 3.6Å; L335-Y339 WeakPolarHBondContact O-CD1 3.5Å; L335-Y339 PolarHBondContact O-N 3.29Å; L335-L356 HydrophobicContact CB-CD1 3.87Å; L335-L356 HydrophobicContact CD2-CD1 3.96Å; L335-L356 HydrophobicContact CG-CD1 3.85Å; L335-M359 HydrophobicContact CD2-CB 3.95Å; L335-M359 HydrophobicContact CD2-CG 3.81Å; L335-Q360 HydrophobicContact CB-CG 4.16Å; L335-Q360 HydrophobicContact CD2-CG 3.79Å; L335-L363 HydrophobicContact CD1-CD1 4.21Å; L335-L363 HydrophobicContact CD2-CD1 3.86Å
336A97.1Very high96Very high56 Ų5667 Ų6746%0.46332%0.323SS..Hα-helixtrans-61.9-39.9176.100000112.6N334 Y339 G340 L356N334-A336 PolarHBondContact O-N 3.21Å; N334-A336 VanDerWaalsContact O-N 3.13Å; A336-Y339 PolarHBondContact O-N 3.07Å; A336-G340 PolarHBondContact O-N 3.04Å; A336-L356 HydrophobicContact CB-CD1 4.2Å; A336-L356 HydrophobicContact CB-CD2 3.9Å
337E96.8Very high96Very high138 Ų13870.1 Ų70.165%0.64533%0.333SS*.Hα-helixtrans-69.9-37.4176.7-61.7-176.1168.800111.1N334 L335 Y339 G340 R341N334-E337 PolarHBondContact O-N 3.22Å; L335-E337 VanDerWaalsContact C-N 3.34Å; L335-E337 PolarHBondContact O-N 3.18Å; E337-Y339 VanDerWaalsContact C-N 3.32Å; E337-Y339 PolarHBondContact O-N 3.05Å; E337-G340 PolarHBondContact O-N 3Å; E337-R341 PolarHBondContact O-N 3.42Å
338I96.6Very high95.9Very high9 Ų969 Ų695%0.04633%0.329CS..Hα-helixtrans-61.3-43.8174.5-63.1174.3000110L314 L331 N334 L335 R341 I342L314-I338 HydrophobicContact CD2-CD1 3.67Å; L331-I338 HydrophobicContact CB-CD1 4.46Å; L331-I338 HydrophobicContact CD2-CD1 3.9Å; N334-I338 PolarHBondContact O-N 3.19Å; L335-I338 HydrophobicContact CD1-CB 4.42Å; L335-I338 HydrophobicContact CD1-CD1 4.41Å; L335-I338 WeakPolarHBondContact O-CB 3.32Å; L335-I338 PolarHBondContact O-N 2.76Å; I338-R341 PolarHBondContact O-N 3.44Å; I338-I342 HydrophobicContact CG2-CD1 3.77Å; I338-I342 HydrophobicContact CG2-CG1 4.44Å; I338-I342 VanDerWaalsContact O-CG1 3.3Å; I338-I342 WeakPolarHBondContact O-CG1 3.26Å; I338-I342 PolarHBondContact O-N 3.44Å
339Y97.5Very high95.7Very high22 Ų2270.2 Ų70.29%0.08634%0.343CS..Hα-helixtrans-59.6-51.3175-78.218.1000111.1I310 L335 A336 E337 R341 I342 E343 F353 P354 L356 M359I310-Y339 HydrophobicContact CD1-CD1 4.2Å; I310-Y339 HydrophobicContact CD1-CE1 3.43Å; I310-Y339 VanDerWaalsContact CD1-CE1 3.43Å; I310-Y339 HydrophobicContact CG1-CD1 4.18Å; I310-Y339 HydrophobicContact CG1-CE1 3.74Å; I310-Y339 HydrophobicContact CG2-CE1 4.31Å; L335-Y339 HydrophobicContact CD1-CD1 4.11Å; L335-Y339 HydrophobicContact CD1-CE1 3.7Å; L335-Y339 HydrophobicContact CD2-CE1 3.99Å; L335-Y339 HydrophobicContact CG-CD1 4.04Å; L335-Y339 HydrophobicContact CG-CE1 3.6Å; L335-Y339 WeakPolarHBondContact O-CD1 3.5Å; L335-Y339 PolarHBondContact O-N 3.29Å; A336-Y339 PolarHBondContact O-N 3.07Å; E337-Y339 VanDerWaalsContact C-N 3.32Å; E337-Y339 PolarHBondContact O-N 3.05Å; Y339-R341 PolarHBondContact O-N 2.63Å; Y339-I342 PolarHBondContact O-N 2.93Å; Y339-I342 VanDerWaalsContact O-N 3.12Å; Y339-E343 WeakPolarHBondContact O-CB 3.31Å; Y339-E343 PolarHBondContact O-N 3.18Å; Y339-F353 AromaticContact CD1-CD1 3.89Å; Y339-F353 HydrophobicContact CD1-CD1 3.89Å; Y339-F353 HydrophobicContact CD1-CE1 4.1Å; Y339-F353 HydrophobicContact CD2-CB 3.96Å; Y339-F353 AromaticContact CD2-CD1 3.48Å; Y339-F353 HydrophobicContact CD2-CD1 3.48Å; Y339-F353 VanDerWaalsContact CD2-CD1 3.48Å; Y339-F353 HydrophobicContact CD2-CE1 4.27Å; Y339-F353 AromaticContact CD2-CG 3.97Å; Y339-F353 HydrophobicContact CD2-CG 3.97Å; Y339-F353 HydrophobicContact CE1-CD1 4.24Å; Y339-F353 HydrophobicContact CE2-CB 3.96Å; Y339-F353 AromaticContact CE2-CD1 3.87Å; Y339-F353 HydrophobicContact CE2-CD1 3.87Å; Y339-F353 HydrophobicContact CE2-CG 4.33Å; Y339-F353 AromaticContact CG-CD1 3.5Å; Y339-F353 HydrophobicContact CG-CD1 3.5Å; Y339-F353 VanDerWaalsContact CG-CD1 3.5Å; Y339-F353 AromaticContact CG-CE1 3.83Å; Y339-F353 HydrophobicContact CG-CE1 3.83Å; Y339-F353 HydrophobicContact CG-CG 4.36Å; Y339-P354 WeakPolarHBondContact CE2-O 3.38Å; Y339-P354 WeakPolarHBondContact OH-CG 3.4Å; Y339-L356 HydrophobicContact CD2-CD1 4.25Å; Y339-L356 HydrophobicContact CE2-CD1 4.09Å; Y339-M359 WeakPolarHBondContact OH-CB 3.35Å; Y339-M359 WeakPolarHBondContact OH-CG 3.24Å
340G97Very high95.3Very high20 Ų2067.6 Ų67.621%0.20634%0.34CS..Hα-helixtrans-64.7-22.5179.600000114.2A336 E337 R344A336-G340 PolarHBondContact O-N 3.04Å; E337-G340 PolarHBondContact O-N 3Å; G340-R344 WeakPolarHBondContact O-CG 3.29Å; G340-R344 PolarHBondContact O-NE 2.97Å
341R96.9Very high94.8Very high78 Ų7866.6 Ų66.629%0.29435%0.354SS..Hα-helixtrans-75.2-49.9169.4-174178.564.5-158.2-4.7111.2S313 E317 E337 I338 Y339 E343 R344 E345S313-R341 PolarHBondContact OG-NH2 3.49Å; E317-R341 IonicContact OE1-CZ 3.01Å; E317-R341 VanDerWaalsContact OE1-CZ 3.24Å; E317-R341 IonicContact OE1-NH1 3.77Å; E317-R341 PolarHBondContact OE1-NH1 3.49Å; E317-R341 IonicContact OE1-NH2 3.93Å; E317-R341 PolarHBondContact OE1-NH2 2.7Å; E337-R341 PolarHBondContact O-N 3.42Å; I338-R341 PolarHBondContact O-N 3.44Å; Y339-R341 PolarHBondContact O-N 2.63Å; R341-E343 VanDerWaalsContact C-N 3.27Å; R341-E343 PolarHBondContact O-N 3.32Å; R341-R344 PolarHBondContact O-N 3.02Å; R341-E345 WeakPolarHBondContact CD-OE1 3.25Å; R341-E345 HydrophobicContact CG-CG 4.19Å; R341-E345 WeakPolarHBondContact CG-OE1 3.31Å; R341-E345 WeakPolarHBondContact O-CB 3.13Å; R341-E345 WeakPolarHBondContact O-CG 3.31Å; R341-E345 PolarHBondContact O-N 2.76Å
342I96.8Very high94.5Very high3 Ų368.6 Ų68.62%0.01536%0.364CS..Hα-helixtrans-58.2-42178.1-69.2168.5000110.6Y309 I310 I338 Y339 R344 E345 H346 I348 F353Y309-I342 HydrophobicContact CG-CG2 4.39Å; I310-I342 HydrophobicContact CB-CD1 4.43Å; I310-I342 HydrophobicContact CG1-CD1 3.89Å; I338-I342 HydrophobicContact CG2-CD1 3.77Å; I338-I342 HydrophobicContact CG2-CG1 4.44Å; I338-I342 VanDerWaalsContact O-CG1 3.3Å; I338-I342 WeakPolarHBondContact O-CG1 3.26Å; I338-I342 PolarHBondContact O-N 3.44Å; Y339-I342 PolarHBondContact O-N 2.93Å; Y339-I342 VanDerWaalsContact O-N 3.12Å; I342-R344 PolarHBondContact O-N 2.86Å; I342-E345 PolarHBondContact O-N 3.02Å; I342-H346 WeakPolarHBondContact O-CB 3.37Å; I342-H346 PolarHBondContact O-N 2.52Å; I342-I348 HydrophobicContact CG2-CD1 3.94Å; I342-F353 HydrophobicContact CB-CE1 4.17Å; I342-F353 HydrophobicContact CB-CZ 4.11Å; I342-F353 HydrophobicContact CG2-CE1 3.94Å; I342-F353 HydrophobicContact CG2-CZ 3.79Å
343E95.9Very high94.4Very high73 Ų7369.6 Ų69.634%0.34137%0.368SS..Hα-helixtrans-54.2-51.1176.9-170.1-167157.600111.4Y339 R341 Q347 I348 P350 F353Y339-E343 WeakPolarHBondContact O-CB 3.31Å; Y339-E343 PolarHBondContact O-N 3.18Å; R341-E343 VanDerWaalsContact C-N 3.27Å; R341-E343 PolarHBondContact O-N 3.32Å; E343-Q347 WeakPolarHBondContact O-CA 3.42Å; E343-Q347 PolarHBondContact O-N 2.79Å; E343-I348 WeakPolarHBondContact CG-O 3.21Å; E343-I348 PolarHBondContact O-N 2.99Å; E343-P350 WeakPolarHBondContact OE1-CG 3.28Å; E343-F353 HydrophobicContact CB-CE2 4.06Å; E343-F353 HydrophobicContact CB-CZ 4.07Å; E343-F353 HydrophobicContact CG-CE2 4.31Å
344R96.2Very high94.2Very high191 Ų19165 Ų6572%0.72134%0.344SS*.Hα-helixtrans-72.2-42.4-178.9-71.5-179-71.4167.9-2113G340 R341 I342G340-R344 WeakPolarHBondContact O-CG 3.29Å; G340-R344 PolarHBondContact O-NE 2.97Å; R341-R344 PolarHBondContact O-N 3.02Å; I342-R344 PolarHBondContact O-N 2.86Å
345E95.3Very high93.8Very high124 Ų12465.8 Ų65.858%0.57935%0.349SS*.Hα-helixtrans-68.2-36.5-177.2-74.4179.6-177.300112.2R341 I342R341-E345 WeakPolarHBondContact CD-OE1 3.25Å; R341-E345 HydrophobicContact CG-CG 4.19Å; R341-E345 WeakPolarHBondContact CG-OE1 3.31Å; R341-E345 WeakPolarHBondContact O-CB 3.13Å; R341-E345 WeakPolarHBondContact O-CG 3.31Å; R341-E345 PolarHBondContact O-N 2.76Å; I342-E345 PolarHBondContact O-N 3.02Å
346H93.6Very high93.6Very high71 Ų7168.6 Ų68.633%0.32936%0.364SS..Hα-helixtrans-111.31.3-174.4-62.4-69000114.3Y309 I342 I348Y309-H346 AromaticContact CD1-CD2 3.82Å; Y309-H346 AromaticContact CD1-CE1 3.75Å; Y309-H346 AromaticContact CD1-NE2 3.47Å; Y309-H346 WeakPolarHBondContact CD1-NE2 3.29Å; Y309-H346 AromaticContact CE1-CD2 3.98Å; Y309-H346 AromaticContact CE1-CE1 3.34Å; Y309-H346 WeakPolarHBondContact CE1-CE1 3.47Å; Y309-H346 AromaticContact CE1-CG 3.97Å; Y309-H346 AromaticContact CE1-ND1 3.58Å; Y309-H346 AromaticContact CE1-NE2 3.58Å; Y309-H346 HydrophobicContact CE2-CB 4.33Å; Y309-H346 AromaticContact CZ-CE1 3.91Å; Y309-H346 AromaticContact CZ-CG 3.89Å; Y309-H346 AromaticContact CZ-ND1 3.64Å; I342-H346 WeakPolarHBondContact O-CB 3.37Å; I342-H346 PolarHBondContact O-N 2.52Å; H346-I348 VanDerWaalsContact C-N 3.35Å; H346-I348 HydrophobicContact CB-CD1 3.58Å; H346-I348 HydrophobicContact CB-CG1 3.89Å; H346-I348 PolarHBondContact O-N 2.82Å
347Q93.1Very high93.3Very high184 Ų18471.4 Ų71.486%0.8637%0.365SS*.THydrogen-bonded Turntrans55.147.4179.7-57177.49.500112.6E343E343-Q347 WeakPolarHBondContact O-CA 3.42Å; E343-Q347 PolarHBondContact O-N 2.79Å
348I92.9Very high92.9Very high22 Ų2269.6 Ų69.611%0.11335%0.353CS..  trans-94.7141.8-178.4-66.3164000109V306 Y309 I342 E343 H346 D352 F353V306-I348 HydrophobicContact CG2-CD1 4.25Å; V306-I348 HydrophobicContact CG2-CG2 3.63Å; Y309-I348 HydrophobicContact CD2-CD1 3.65Å; Y309-I348 HydrophobicContact CE2-CD1 3.84Å; I342-I348 HydrophobicContact CG2-CD1 3.94Å; E343-I348 WeakPolarHBondContact CG-O 3.21Å; E343-I348 PolarHBondContact O-N 2.99Å; H346-I348 VanDerWaalsContact C-N 3.35Å; H346-I348 HydrophobicContact CB-CD1 3.58Å; H346-I348 HydrophobicContact CB-CG1 3.89Å; H346-I348 PolarHBondContact O-N 2.82Å; I348-D352 HydrophobicContact CG2-CB 3.94Å; I348-F353 HydrophobicContact CB-CE2 4.05Å; I348-F353 HydrophobicContact CB-CZ 4.43Å; I348-F353 HydrophobicContact CG2-CD2 4.13Å; I348-F353 HydrophobicContact CG2-CE2 3.56Å; I348-F353 HydrophobicContact CG2-CZ 4.19Å
349S90.8Very high92.8Very high66 Ų6669.2 Ų69.246%0.46235%0.351SS..  trans-68.7139175.1179.30000110.9G351 D352 F353S349-G351 PolarHBondContact O-N 3.33Å; S349-G351 PolarHBondContact OG-N 3.08Å; S349-D352 PolarHBondContact O-N 3.11Å; S349-F353 WeakPolarHBondContact O-CD2 3.19Å
350P87.8Confident92.7Very high83 Ų8369.6 Ų69.654%0.53935%0.353SS..G310 helixtrans-51.7-31.4172.8-27.633.8000113.8E343 D352 F353E343-P350 WeakPolarHBondContact OE1-CG 3.28Å; P350-D352 VanDerWaalsContact C-N 3.28Å; P350-D352 PolarHBondContact O-N 2.92Å; P350-F353 PolarHBondContact O-N 3.32Å
351G85.4Confident92.5Very high68 Ų6872.1 Ų72.170%0.70136%0.362SS*.G310 helixtrans-70.2-18179.400000114.8S349 F353S349-G351 PolarHBondContact O-N 3.33Å; S349-G351 PolarHBondContact OG-N 3.08Å; G351-F353 VanDerWaalsContact C-N 3.31Å
352D89.3Confident92.3Very high45 Ų4570.7 Ų70.724%0.24136%0.359CS..G310 helixtrans-83.5-9.8177.1-66.6-34.3000112.1V306 I348 S349 P350V306-D352 HydrophobicContact CG2-CB 3.88Å; I348-D352 HydrophobicContact CG2-CB 3.94Å; S349-D352 PolarHBondContact O-N 3.11Å; P350-D352 VanDerWaalsContact C-N 3.28Å; P350-D352 PolarHBondContact O-N 2.92Å
353F93.1Very high92.3Very high27 Ų2770.6 Ų70.612%0.11836%0.358CS..SBendtrans-79.3139.5178.9-75.2-96.7000111.9V306 I310 Y339 I342 E343 I348 S349 P350 G351V306-F353 HydrophobicContact CG1-CD1 3.48Å; V306-F353 VanDerWaalsContact CG1-CD1 3.48Å; V306-F353 HydrophobicContact CG1-CD2 4.39Å; V306-F353 HydrophobicContact CG1-CE1 3.66Å; V306-F353 HydrophobicContact CG1-CG 3.89Å; V306-F353 HydrophobicContact CG1-CZ 4.21Å; I310-F353 HydrophobicContact CD1-CD1 4.31Å; Y339-F353 AromaticContact CD1-CD1 3.89Å; Y339-F353 HydrophobicContact CD1-CD1 3.89Å; Y339-F353 HydrophobicContact CD1-CE1 4.1Å; Y339-F353 HydrophobicContact CD2-CB 3.96Å; Y339-F353 AromaticContact CD2-CD1 3.48Å; Y339-F353 HydrophobicContact CD2-CD1 3.48Å; Y339-F353 VanDerWaalsContact CD2-CD1 3.48Å; Y339-F353 HydrophobicContact CD2-CE1 4.27Å; Y339-F353 AromaticContact CD2-CG 3.97Å; Y339-F353 HydrophobicContact CD2-CG 3.97Å; Y339-F353 HydrophobicContact CE1-CD1 4.24Å; Y339-F353 HydrophobicContact CE2-CB 3.96Å; Y339-F353 AromaticContact CE2-CD1 3.87Å; Y339-F353 HydrophobicContact CE2-CD1 3.87Å; Y339-F353 HydrophobicContact CE2-CG 4.33Å; Y339-F353 AromaticContact CG-CD1 3.5Å; Y339-F353 HydrophobicContact CG-CD1 3.5Å; Y339-F353 VanDerWaalsContact CG-CD1 3.5Å; Y339-F353 AromaticContact CG-CE1 3.83Å; Y339-F353 HydrophobicContact CG-CE1 3.83Å; Y339-F353 HydrophobicContact CG-CG 4.36Å; I342-F353 HydrophobicContact CB-CE1 4.17Å; I342-F353 HydrophobicContact CB-CZ 4.11Å; I342-F353 HydrophobicContact CG2-CE1 3.94Å; I342-F353 HydrophobicContact CG2-CZ 3.79Å; E343-F353 HydrophobicContact CB-CE2 4.06Å; E343-F353 HydrophobicContact CB-CZ 4.07Å; E343-F353 HydrophobicContact CG-CE2 4.31Å; I348-F353 HydrophobicContact CB-CE2 4.05Å; I348-F353 HydrophobicContact CB-CZ 4.43Å; I348-F353 HydrophobicContact CG2-CD2 4.13Å; I348-F353 HydrophobicContact CG2-CE2 3.56Å; I348-F353 HydrophobicContact CG2-CZ 4.19Å; S349-F353 WeakPolarHBondContact O-CD2 3.19Å; P350-F353 PolarHBondContact O-N 3.32Å; G351-F353 VanDerWaalsContact C-N 3.31Å
354P92.1Very high92.1Very high18 Ų1872.6 Ų72.612%0.11737%0.367CS..PPolyproline II helixtrans-66.9157.2173.925.5-28.4000110.9L303 I310 Y339 L356 M359L303-P354 HydrophobicContact CD1-CB 4.13Å; L303-P354 HydrophobicContact CD1-CG 4.34Å; I310-P354 HydrophobicContact CD1-CG 3.98Å; Y339-P354 WeakPolarHBondContact CE2-O 3.38Å; Y339-P354 WeakPolarHBondContact OH-CG 3.4Å; P354-L356 PolarHBondContact O-N 2.88Å; P354-L356 VanDerWaalsContact O-N 3.12Å; P354-M359 HydrophobicContact CG-SD 4.48Å
355N89.8Confident91.9Very high84 Ų8467.8 Ų67.845%0.44937%0.369SS..PPolyproline II helixtrans-53.5122.9178.2179.1-87000111.1K357 R358 M359N355-K357 PolarHBondContact O-N 3.49Å; N355-K357 PolarHBondContact OD1-N 3.29Å; N355-K357 VanDerWaalsContact OD1-N 3.12Å; N355-R358 HydrophobicContact CB-CB 4.1Å; N355-R358 PolarHBondContact O-N 3.29Å; N355-R358 PolarHBondContact OD1-N 3.09Å; N355-M359 WeakPolarHBondContact O-CB 3.29Å; N355-M359 PolarHBondContact O-N 2.89Å
356L92.1Very high91.8Very high59 Ų5963.5 Ų63.531%0.30935%0.348SS..Hα-helixtrans-54.1-50.3-175-179.871.1000112L335 A336 Y339 P354 M359 Q360L335-L356 HydrophobicContact CB-CD1 3.87Å; L335-L356 HydrophobicContact CD2-CD1 3.96Å; L335-L356 HydrophobicContact CG-CD1 3.85Å; A336-L356 HydrophobicContact CB-CD1 4.2Å; A336-L356 HydrophobicContact CB-CD2 3.9Å; Y339-L356 HydrophobicContact CD2-CD1 4.25Å; Y339-L356 HydrophobicContact CE2-CD1 4.09Å; P354-L356 PolarHBondContact O-N 2.88Å; P354-L356 VanDerWaalsContact O-N 3.12Å; L356-M359 PolarHBondContact O-N 3.47Å; L356-Q360 VanDerWaalsContact O-CG 3.31Å; L356-Q360 WeakPolarHBondContact O-CG 3.44Å; L356-Q360 PolarHBondContact O-N 3.34Å
357K91Very high91.7Very high115 Ų11563.5 Ų63.550%0.535%0.351SS..Hα-helixtrans-66.7-45.6-174.2-176.554.1178.4148.80111.6N355 M359 Q360 D361N355-K357 PolarHBondContact O-N 3.49Å; N355-K357 PolarHBondContact OD1-N 3.29Å; N355-K357 VanDerWaalsContact OD1-N 3.12Å; K357-M359 VanDerWaalsContact C-N 3.33Å; K357-M359 PolarHBondContact O-N 3.32Å; K357-Q360 WeakPolarHBondContact O-CB 3.46Å; K357-Q360 PolarHBondContact O-N 2.73Å; K357-D361 IonicContact NZ-OD1 3.28Å; K357-D361 PolarHBondContact NZ-OD1 2.87Å; K357-D361 IonicContact NZ-OD2 3.83Å; K357-D361 VanDerWaalsContact O-CG 3.26Å; K357-D361 PolarHBondContact O-N 3.31Å
358R88.6Confident91.8Very high100 Ų10054.8 Ų54.838%0.37731%0.31SS..Hα-helixtrans-58.5-44.7174.7-175.3178.6176.3156.7-1.8111.6E176 N355 D361 Q362E176-R358 IonicContact OE1-CZ 3.9Å; E176-R358 IonicContact OE1-NH1 2.63Å; E176-R358 PolarHBondContact OE1-NH1 3.37Å; E176-R358 IonicContact OE1-NH2 3.25Å; E176-R358 IonicContact OE2-CZ 2.69Å; E176-R358 IonicContact OE2-NH1 3.6Å; E176-R358 PolarHBondContact OE2-NH1 3.14Å; E176-R358 IonicContact OE2-NH2 3.52Å; E176-R358 PolarHBondContact OE2-NH2 3.38Å; N355-R358 HydrophobicContact CB-CB 4.1Å; N355-R358 PolarHBondContact O-N 3.29Å; N355-R358 PolarHBondContact OD1-N 3.09Å; R358-D361 PolarHBondContact O-N 3.02Å; R358-Q362 WeakPolarHBondContact O-CB 3.47Å; R358-Q362 WeakPolarHBondContact O-CG 3.37Å; R358-Q362 PolarHBondContact O-N 2.72Å
359M94.4Very high91.5Very high1 Ų156 Ų561%0.00532%0.321CS..Hα-helixtrans-64.7-41.3178.4-168.667.2179.400111.7F45 I310 I311 L335 Y339 P354 N355 L356 K357 D361 Q362 L363F45-M359 HydrophobicContact CD1-CE 3.7Å; F45-M359 HydrophobicContact CD1-SD 3.73Å; F45-M359 HydrophobicContact CE1-CE 3.85Å; F45-M359 HydrophobicContact CE1-SD 4.31Å; F45-M359 HydrophobicContact CG-CE 4.35Å; F45-M359 HydrophobicContact CG-SD 4.49Å; I310-M359 HydrophobicContact CG2-CE 3.97Å; I311-M359 HydrophobicContact CD1-CE 4.21Å; L335-M359 HydrophobicContact CD2-CB 3.95Å; L335-M359 HydrophobicContact CD2-CG 3.81Å; Y339-M359 WeakPolarHBondContact OH-CB 3.35Å; Y339-M359 WeakPolarHBondContact OH-CG 3.24Å; P354-M359 HydrophobicContact CG-SD 4.48Å; N355-M359 WeakPolarHBondContact O-CB 3.29Å; N355-M359 PolarHBondContact O-N 2.89Å; L356-M359 PolarHBondContact O-N 3.47Å; K357-M359 VanDerWaalsContact C-N 3.33Å; K357-M359 PolarHBondContact O-N 3.32Å; M359-D361 PolarHBondContact O-N 3.12Å; M359-Q362 PolarHBondContact O-N 2.8Å; M359-L363 HydrophobicContact CE-CD1 4.19Å; M359-L363 HydrophobicContact CE-CD2 4.14Å; M359-L363 HydrophobicContact CE-CG 4.14Å; M359-L363 HydrophobicContact CG-CD1 3.88Å; M359-L363 HydrophobicContact CG-CG 4.31Å; M359-L363 VanDerWaalsContact O-CB 3.31Å; M359-L363 WeakPolarHBondContact O-CB 3.45Å; M359-L363 WeakPolarHBondContact O-CD1 3.22Å; M359-L363 WeakPolarHBondContact O-CG 3.4Å; M359-L363 PolarHBondContact O-N 3.43Å
360Q95.5Very high91.5Very high30 Ų3058 Ų5814%0.1432%0.321CS..Hα-helixtrans-58.4-48174.5-74.4178.6-38.800111.6V332 L335 L356 K357 L363 Q364V332-Q360 HydrophobicContact CG1-CB 3.91Å; V332-Q360 HydrophobicContact CG1-CG 4.09Å; V332-Q360 WeakPolarHBondContact O-CG 3.43Å; V332-Q360 PolarHBondContact O-NE2 3.13Å; L335-Q360 HydrophobicContact CB-CG 4.16Å; L335-Q360 HydrophobicContact CD2-CG 3.79Å; L356-Q360 VanDerWaalsContact O-CG 3.31Å; L356-Q360 WeakPolarHBondContact O-CG 3.44Å; L356-Q360 PolarHBondContact O-N 3.34Å; K357-Q360 WeakPolarHBondContact O-CB 3.46Å; K357-Q360 PolarHBondContact O-N 2.73Å; Q360-L363 PolarHBondContact O-N 3.05Å; Q360-Q364 WeakPolarHBondContact O-CG 3.49Å; Q360-Q364 PolarHBondContact O-N 2.81Å
361D92.7Very high91.8Very high73 Ų7354.3 Ų54.339%0.3930%0.297SS..Hα-helixtrans-65.2-41.3-178.2-63.7-21.9000111K357 R358 M359 Q364K357-D361 IonicContact NZ-OD1 3.28Å; K357-D361 PolarHBondContact NZ-OD1 2.87Å; K357-D361 IonicContact NZ-OD2 3.83Å; K357-D361 VanDerWaalsContact O-CG 3.26Å; K357-D361 PolarHBondContact O-N 3.31Å; R358-D361 PolarHBondContact O-N 3.02Å; M359-D361 PolarHBondContact O-N 3.12Å; D361-Q364 WeakPolarHBondContact O-CB 3.43Å; D361-Q364 PolarHBondContact O-N 2.9Å
362Q92.9Very high92.3Very high48 Ų4854.7 Ų54.722%0.22428%0.28CS..Hα-helixtrans-64.9-42.5174.8-72.1177.3-22.600112.7F45 R358 M359 Q364 A365 Q366F45-Q362 HydrophobicContact CD1-CB 3.93Å; F45-Q362 HydrophobicContact CE1-CB 4.3Å; F45-Q362 PolarHBondContact O-NE2 3.37Å; F45-Q362 PolarHBondContact O-OE1 3.44Å; R358-Q362 WeakPolarHBondContact O-CB 3.47Å; R358-Q362 WeakPolarHBondContact O-CG 3.37Å; R358-Q362 PolarHBondContact O-N 2.72Å; M359-Q362 PolarHBondContact O-N 2.8Å; Q362-Q364 PolarHBondContact O-N 3.44Å; Q362-A365 PolarHBondContact O-N 3.32Å; Q362-Q366 WeakPolarHBondContact O-CG 3.28Å
363L95.5Very high92.6Very high0 Ų056.2 Ų56.20%029%0.293CS..Hα-helixtrans-63.7-25.2179.3-76.2168.5000113F45 I311 L314 K328 V332 L335 M359 Q360 A365 Q366 F368 F371F45-L363 HydrophobicContact CE1-CD2 3.58Å; F45-L363 HydrophobicContact CE1-CG 3.99Å; F45-L363 HydrophobicContact CZ-CD2 3.91Å; I311-L363 HydrophobicContact CD1-CD2 4.38Å; L314-L363 HydrophobicContact CD1-CD1 3.85Å; L314-L363 HydrophobicContact CD1-CD2 3.73Å; L314-L363 HydrophobicContact CD1-CG 4.48Å; K328-L363 VanDerWaalsContact CE-O 3.25Å; K328-L363 WeakPolarHBondContact CE-O 3.34Å; V332-L363 HydrophobicContact CG2-CB 3.88Å; L335-L363 HydrophobicContact CD1-CD1 4.21Å; L335-L363 HydrophobicContact CD2-CD1 3.86Å; M359-L363 HydrophobicContact CE-CD1 4.19Å; M359-L363 HydrophobicContact CE-CD2 4.14Å; M359-L363 HydrophobicContact CE-CG 4.14Å; M359-L363 HydrophobicContact CG-CD1 3.88Å; M359-L363 HydrophobicContact CG-CG 4.31Å; M359-L363 VanDerWaalsContact O-CB 3.31Å; M359-L363 WeakPolarHBondContact O-CB 3.45Å; M359-L363 WeakPolarHBondContact O-CD1 3.22Å; M359-L363 WeakPolarHBondContact O-CG 3.4Å; M359-L363 PolarHBondContact O-N 3.43Å; Q360-L363 PolarHBondContact O-N 3.05Å; L363-A365 VanDerWaalsContact C-N 3.27Å; L363-A365 PolarHBondContact O-N 3.2Å; L363-Q366 PolarHBondContact O-N 2.83Å; L363-Q366 VanDerWaalsContact O-N 3.15Å; L363-F368 HydrophobicContact CB-CE1 4.05Å; L363-F368 HydrophobicContact CB-CZ 4.07Å; L363-F368 HydrophobicContact CD1-CZ 4.46Å; L363-F368 HydrophobicContact CD2-CE1 3.65Å; L363-F368 HydrophobicContact CD2-CZ 3.78Å; L363-F368 HydrophobicContact CG-CE1 4.42Å; L363-F368 HydrophobicContact CG-CZ 4.33Å; L363-F371 HydrophobicContact CD2-CE2 4.06Å; L363-F371 HydrophobicContact CD2-CZ 3.86Å
364Q93.3Very high92.8Very high115 Ų11558.6 Ų58.654%0.53731%0.306SS..Hα-helixtrans-61-36.4176.5-71.7177.427.100112.3K328 V332 Q360 D361 Q362 Q366K328-Q364 PolarHBondContact NZ-O 3.1Å; V332-Q364 HydrophobicContact CG1-CG 4.37Å; Q360-Q364 WeakPolarHBondContact O-CG 3.49Å; Q360-Q364 PolarHBondContact O-N 2.81Å; D361-Q364 WeakPolarHBondContact O-CB 3.43Å; D361-Q364 PolarHBondContact O-N 2.9Å; Q362-Q364 PolarHBondContact O-N 3.44Å; Q364-Q366 VanDerWaalsContact C-N 3.26Å; Q364-Q366 PolarHBondContact O-N 3Å
365A91.3Very high93.1Very high91 Ų9162.4 Ų62.475%0.75232%0.321SS*.THydrogen-bonded Turntrans-78.5-8.3179.500000113.6Q362 L363Q362-A365 PolarHBondContact O-N 3.32Å; L363-A365 VanDerWaalsContact C-N 3.27Å; L363-A365 PolarHBondContact O-N 3.2Å
366Q93.8Very high93.4Very high33 Ų3361.3 Ų61.315%0.15432%0.32CS..SBendtrans-99.7145.1-166.4-66-68.7-7.400113.7E44 F45 K328 Q362 L363 Q364 F368 F371E44-Q366 PolarHBondContact OE2-OE1 3.2Å; F45-Q366 HydrophobicContact CE1-CG 3.94Å; F45-Q366 HydrophobicContact CE2-CG 4.41Å; F45-Q366 HydrophobicContact CZ-CB 4.29Å; F45-Q366 HydrophobicContact CZ-CG 3.61Å; K328-Q366 VanDerWaalsContact CE-O 3.27Å; K328-Q366 WeakPolarHBondContact CE-O 3.01Å; K328-Q366 PolarHBondContact NZ-O 3.25Å; Q362-Q366 WeakPolarHBondContact O-CG 3.28Å; L363-Q366 PolarHBondContact O-N 2.83Å; L363-Q366 VanDerWaalsContact O-N 3.15Å; Q364-Q366 VanDerWaalsContact C-N 3.26Å; Q364-Q366 PolarHBondContact O-N 3Å; Q366-F368 PolarHBondContact O-N 3.36Å; Q366-F371 HydrophobicContact CB-CE1 4.26Å; Q366-F371 HydrophobicContact CB-CZ 4.05Å
367D90.9Very high93.6Very high71 Ų7165.9 Ų65.938%0.3834%0.337SS..  trans-91.8102.8175.5178.33.1000110.8S369 K370D367-S369 PolarHBondContact O-N 2.83Å; D367-S369 VanDerWaalsContact O-N 3.13Å; D367-S369 VanDerWaalsContact OD1-CB 3.25Å; D367-S369 WeakPolarHBondContact OD1-CB 3.34Å; D367-S369 PolarHBondContact OD1-N 2.74Å; D367-S369 PolarHBondContact OD1-OG 3.15Å; D367-S369 PolarHBondContact OD2-OG 2.69Å; D367-S369 VanDerWaalsContact OD2-OG 3.05Å; D367-K370 HydrophobicContact CB-CD 4.12Å; D367-K370 HydrophobicContact CB-CG 4.27Å; D367-K370 WeakPolarHBondContact O-CB 2.84Å; D367-K370 PolarHBondContact O-N 3.48Å; D367-K370 VanDerWaalsContact OD2-CE 3.26Å; D367-K370 WeakPolarHBondContact OD2-CE 2.78Å
368F93.9Very high93.9Very high1 Ų161.7 Ų61.70%0.00432%0.32CS..G310 helixtrans-65.5-17.5-176.7-77.129.5000112.8L314 M318 K328 L331 V332 L363 Q366 K370 F371L314-F368 HydrophobicContact CB-CD2 4.19Å; L314-F368 HydrophobicContact CB-CE2 4.02Å; L314-F368 HydrophobicContact CD1-CE2 4.03Å; L314-F368 HydrophobicContact CD1-CZ 3.99Å; L314-F368 HydrophobicContact CD2-CE2 3.93Å; L314-F368 HydrophobicContact CD2-CZ 4.48Å; L314-F368 HydrophobicContact CG-CE2 4.21Å; M318-F368 HydrophobicContact CE-CB 3.78Å; M318-F368 HydrophobicContact CG-CB 3.9Å; M318-F368 HydrophobicContact CG-CD2 3.97Å; M318-F368 HydrophobicContact CG-CG 4.48Å; M318-F368 HydrophobicContact SD-CB 3.92Å; M318-F368 HydrophobicContact SD-CD2 3.77Å; M318-F368 HydrophobicContact SD-CG 4.31Å; K328-F368 HydrophobicContact CB-CD2 4.45Å; K328-F368 HydrophobicContact CD-CD1 4.12Å; K328-F368 HydrophobicContact CD-CE1 4.27Å; K328-F368 HydrophobicContact CD-CG 4.42Å; K328-F368 HydrophobicContact CG-CD1 4.18Å; K328-F368 HydrophobicContact CG-CD2 4.17Å; K328-F368 HydrophobicContact CG-CE1 4.08Å; K328-F368 HydrophobicContact CG-CE2 4.06Å; K328-F368 HydrophobicContact CG-CG 4.23Å; K328-F368 HydrophobicContact CG-CZ 4.02Å; L331-F368 HydrophobicContact CB-CE2 4.3Å; L331-F368 HydrophobicContact CD1-CD2 4.28Å; L331-F368 HydrophobicContact CD1-CE2 4.2Å; V332-F368 HydrophobicContact CG2-CZ 3.82Å; L363-F368 HydrophobicContact CB-CE1 4.05Å; L363-F368 HydrophobicContact CB-CZ 4.07Å; L363-F368 HydrophobicContact CD1-CZ 4.46Å; L363-F368 HydrophobicContact CD2-CE1 3.65Å; L363-F368 HydrophobicContact CD2-CZ 3.78Å; L363-F368 HydrophobicContact CG-CE1 4.42Å; L363-F368 HydrophobicContact CG-CZ 4.33Å; Q366-F368 PolarHBondContact O-N 3.36Å; F368-K370 PolarHBondContact O-N 3.43Å; F368-F371 HydrophobicContact CB-CD2 4.05Å; F368-F371 HydrophobicContact CB-CE2 4.11Å; F368-F371 HydrophobicContact CD1-CD2 4.08Å; F368-F371 HydrophobicContact CD1-CE1 4.44Å; F368-F371 AromaticContact CD1-CE2 3.25Å; F368-F371 HydrophobicContact CD1-CE2 3.25Å; F368-F371 AromaticContact CD1-CZ 3.48Å; F368-F371 HydrophobicContact CD1-CZ 3.48Å; F368-F371 VanDerWaalsContact CD1-CZ 3.48Å; F368-F371 HydrophobicContact CD2-CD2 4.36Å; F368-F371 HydrophobicContact CD2-CE2 4.01Å; F368-F371 AromaticContact CE1-CE2 3.55Å; F368-F371 HydrophobicContact CE1-CE2 3.55Å; F368-F371 AromaticContact CE1-CZ 3.73Å; F368-F371 HydrophobicContact CE1-CZ 3.73Å; F368-F371 HydrophobicContact CE2-CE2 4.27Å; F368-F371 AromaticContact CG-CD2 3.9Å; F368-F371 HydrophobicContact CG-CD2 3.9Å; F368-F371 AromaticContact CG-CE2 3.51Å; F368-F371 HydrophobicContact CG-CE2 3.51Å; F368-F371 HydrophobicContact CG-CZ 4.16Å; F368-F371 HydrophobicContact CZ-CE2 4.06Å; F368-F371 WeakPolarHBondContact O-CB 3.42Å; F368-F371 PolarHBondContact O-N 3.36Å
369S87.6Confident94.3Very high48 Ų4857.2 Ų57.234%0.33630%0.304SS..G310 helixtrans-65.4-29.1174.975.60000111.9K315 D367 F371K315-S369 PolarHBondContact NZ-O 3.19Å; D367-S369 PolarHBondContact O-N 2.83Å; D367-S369 VanDerWaalsContact O-N 3.13Å; D367-S369 VanDerWaalsContact OD1-CB 3.25Å; D367-S369 WeakPolarHBondContact OD1-CB 3.34Å; D367-S369 PolarHBondContact OD1-N 2.74Å; D367-S369 PolarHBondContact OD1-OG 3.15Å; D367-S369 PolarHBondContact OD2-OG 2.69Å; D367-S369 VanDerWaalsContact OD2-OG 3.05Å; S369-F371 VanDerWaalsContact C-N 3.33Å
370K90.3Very high94.4Very high109 Ų10963 Ų6347%0.47433%0.331SS..G310 helixtrans-82.3-6.6179.1-60.5179.9-176.6171.60113.9D367 F368D367-K370 HydrophobicContact CB-CD 4.12Å; D367-K370 HydrophobicContact CB-CG 4.27Å; D367-K370 WeakPolarHBondContact O-CB 2.84Å; D367-K370 PolarHBondContact O-N 3.48Å; D367-K370 VanDerWaalsContact OD2-CE 3.26Å; D367-K370 WeakPolarHBondContact OD2-CE 2.78Å; F368-K370 PolarHBondContact O-N 3.43Å
371F95.3Very high94.5Very high5 Ų564 Ų642%0.02234%0.339CS..PPolyproline II helixtrans-67.6145.6176.5-67.6-8.8000111.3F45 I311 L314 K315 L363 Q366 F368 S369F45-F371 HydrophobicContact CZ-CE1 4.3Å; F45-F371 HydrophobicContact CZ-CZ 4.11Å; I311-F371 HydrophobicContact CD1-CD2 4.41Å; I311-F371 HydrophobicContact CD1-CE1 4.26Å; I311-F371 HydrophobicContact CD1-CE2 3.97Å; I311-F371 HydrophobicContact CD1-CZ 3.89Å; I311-F371 HydrophobicContact CG2-CB 3.77Å; I311-F371 HydrophobicContact CG2-CD1 4.05Å; I311-F371 HydrophobicContact CG2-CD2 3.98Å; I311-F371 HydrophobicContact CG2-CG 3.68Å; L314-F371 HydrophobicContact CB-CD2 4.16Å; L314-F371 HydrophobicContact CB-CE2 4.25Å; L314-F371 HydrophobicContact CD1-CE2 4.08Å; K315-F371 HydrophobicContact CB-CB 3.87Å; K315-F371 HydrophobicContact CD-CB 4.18Å; K315-F371 WeakPolarHBondContact CD-O 3.35Å; K315-F371 WeakPolarHBondContact CE-O 3.15Å; K315-F371 HydrophobicContact CG-CB 4.33Å; K315-F371 WeakPolarHBondContact CG-O 3.33Å; L363-F371 HydrophobicContact CD2-CE2 4.06Å; L363-F371 HydrophobicContact CD2-CZ 3.86Å; Q366-F371 HydrophobicContact CB-CE1 4.26Å; Q366-F371 HydrophobicContact CB-CZ 4.05Å; F368-F371 HydrophobicContact CB-CD2 4.05Å; F368-F371 HydrophobicContact CB-CE2 4.11Å; F368-F371 HydrophobicContact CD1-CD2 4.08Å; F368-F371 HydrophobicContact CD1-CE1 4.44Å; F368-F371 AromaticContact CD1-CE2 3.25Å; F368-F371 HydrophobicContact CD1-CE2 3.25Å; F368-F371 AromaticContact CD1-CZ 3.48Å; F368-F371 HydrophobicContact CD1-CZ 3.48Å; F368-F371 VanDerWaalsContact CD1-CZ 3.48Å; F368-F371 HydrophobicContact CD2-CD2 4.36Å; F368-F371 HydrophobicContact CD2-CE2 4.01Å; F368-F371 AromaticContact CE1-CE2 3.55Å; F368-F371 HydrophobicContact CE1-CE2 3.55Å; F368-F371 AromaticContact CE1-CZ 3.73Å; F368-F371 HydrophobicContact CE1-CZ 3.73Å; F368-F371 HydrophobicContact CE2-CE2 4.27Å; F368-F371 AromaticContact CG-CD2 3.9Å; F368-F371 HydrophobicContact CG-CD2 3.9Å; F368-F371 AromaticContact CG-CE2 3.51Å; F368-F371 HydrophobicContact CG-CE2 3.51Å; F368-F371 HydrophobicContact CG-CZ 4.16Å; F368-F371 HydrophobicContact CZ-CE2 4.06Å; F368-F371 WeakPolarHBondContact O-CB 3.42Å; F368-F371 PolarHBondContact O-N 3.36Å; S369-F371 VanDerWaalsContact C-N 3.33Å
372Q95.3Very high94.7Very high75 Ų7560.5 Ų60.535%0.3532%0.32SS..PPolyproline II helixtrans-91.8146.8-177.5-60.4-59.4-28.600110.8H39 Y40H39-Q372 VanDerWaalsContact O-CG 3.3Å; H39-Q372 WeakPolarHBondContact O-CG 3.44Å; Y40-Q372 HydrophobicContact CD1-CB 4.43Å; Y40-Q372 HydrophobicContact CE1-CB 4.13Å
373P96Very high94.9Very high78 Ų7861.2 Ų61.251%0.50633%0.325SS..PPolyproline II helixtrans-67.2168.2170.530.6-34.7000111.3Y40 K375Y40-P373 PolarHBondContact OH-O 3.44Å; P373-K375 PolarHBondContact O-N 2.92Å
374L96.4Very high94.9Very high76 Ų7664.4 Ų64.440%0.39834%0.343SS..PPolyproline II helixtrans-64.7129.9177-163.472.1000110.8Y40 Y309 S312 L379Y40-L374 VanDerWaalsContact OH-CA 3.29Å; Y40-L374 WeakPolarHBondContact OH-CA 3.35Å; Y309-L374 HydrophobicContact CD1-CD1 3.81Å; Y309-L374 HydrophobicContact CE1-CD1 4.04Å; Y309-L374 HydrophobicContact CE1-CD2 4.42Å; S312-L374 WeakPolarHBondContact OG-CA 3.46Å; S312-L374 WeakPolarHBondContact OG-CD1 3.33Å; S312-L374 PolarHBondContact OG-N 3.18Å; L374-L379 HydrophobicContact CD1-CD1 3.6Å; L374-L379 HydrophobicContact CG-CD1 4.15Å
375K97.6Very high95Very high98 Ų9859 Ų5943%0.42632%0.317SS..  trans-119.986178.3-171.5171.4175.6-1760109Y40 P373 K377 L378Y40-K375 PolarHBondContact OH-N 3.5Å; P373-K375 PolarHBondContact O-N 2.92Å; K375-K377 PolarHBondContact O-N 3.46Å; K375-K377 VanDerWaalsContact O-N 3.09Å; K375-L378 HydrophobicContact CB-CD1 4.38Å; K375-L378 HydrophobicContact CD-CD1 3.77Å; K375-L378 HydrophobicContact CD-CG 3.91Å; K375-L378 HydrophobicContact CG-CD1 4.29Å; K375-L378 HydrophobicContact CG-CG 4.12Å; K375-L378 PolarHBondContact O-N 3.34Å
376S96Very high95.1Very high62 Ų6256.6 Ų56.643%0.43429%0.292SS..Hα-helixtrans-51-38.8-173.5-47.90000113.3L378 L379 E380S376-L378 VanDerWaalsContact C-N 3.27Å; S376-L378 PolarHBondContact O-N 3.04Å; S376-L379 WeakPolarHBondContact O-CB 3.15Å; S376-L379 PolarHBondContact O-N 3.45Å; S376-E380 WeakPolarHBondContact O-CG 3.24Å; S376-E380 PolarHBondContact O-N 3.42Å
377K96.9Very high95.1Very high154 Ų15458 Ų5867%0.6731%0.309SS*.Hα-helixtrans-57.3-34.6178.2-171171.4-176.5174.50114.1K375 V381K375-K377 PolarHBondContact O-N 3.46Å; K375-K377 VanDerWaalsContact O-N 3.09Å; K377-V381 VanDerWaalsContact O-CG2 3.24Å; K377-V381 WeakPolarHBondContact O-CG2 3.37Å; K377-V381 PolarHBondContact O-N 2.95Å
378L97.4Very high95.2Very high28 Ų2859.9 Ų59.915%0.14732%0.315CS..Hα-helixtrans-73.1-36.9176.8-68.9179.5000111.4P35 L36 H39 K375 S376 V381 V382P35-L378 HydrophobicContact CB-CD2 4.18Å; L36-L378 HydrophobicContact CD1-CB 3.71Å; H39-L378 HydrophobicContact CB-CD1 3.74Å; K375-L378 HydrophobicContact CB-CD1 4.38Å; K375-L378 HydrophobicContact CD-CD1 3.77Å; K375-L378 HydrophobicContact CD-CG 3.91Å; K375-L378 HydrophobicContact CG-CD1 4.29Å; K375-L378 HydrophobicContact CG-CG 4.12Å; K375-L378 PolarHBondContact O-N 3.34Å; S376-L378 VanDerWaalsContact C-N 3.27Å; S376-L378 PolarHBondContact O-N 3.04Å; L378-V381 PolarHBondContact O-N 2.93Å; L378-V382 PolarHBondContact O-N 3.22Å
379L96.9Very high95.1Very high6 Ų660.9 Ų60.93%0.03132%0.321CS..Hα-helixtrans-67.8-45.1176.3-69.9165.3000111.2L36 K305 A308 Y309 L374 S376 V381 V382 D383L36-L379 HydrophobicContact CD1-CD2 4.05Å; L36-L379 HydrophobicContact CD1-CG 4.3Å; L36-L379 HydrophobicContact CD2-CD2 4.21Å; K305-L379 HydrophobicContact CB-CD2 4.18Å; K305-L379 HydrophobicContact CG-CD2 3.96Å; A308-L379 HydrophobicContact CB-CD2 4.14Å; Y309-L379 HydrophobicContact CD1-CD1 4.26Å; Y309-L379 HydrophobicContact CE1-CD1 3.52Å; Y309-L379 HydrophobicContact CE2-CD2 4.45Å; L374-L379 HydrophobicContact CD1-CD1 3.6Å; L374-L379 HydrophobicContact CG-CD1 4.15Å; S376-L379 WeakPolarHBondContact O-CB 3.15Å; S376-L379 PolarHBondContact O-N 3.45Å; L379-V381 PolarHBondContact O-N 3.46Å; L379-V382 CarbonylContact O-C 3.5Å; L379-V382 PolarHBondContact O-N 2.89Å; L379-D383 PolarHBondContact O-N 2.95Å
380E96.9Very high95.2Very high121 Ų12159.3 Ų59.357%0.56531%0.308SS*.Hα-helixtrans-56.1-38.2175.6-72.9164.7-15800112.1S376 D383 D384S376-E380 WeakPolarHBondContact O-CG 3.24Å; S376-E380 PolarHBondContact O-N 3.42Å; E380-D383 PolarHBondContact O-N 3.34Å; E380-D384 WeakPolarHBondContact O-CB 3.48Å; E380-D384 PolarHBondContact O-N 3.25Å
381V97.9Very high95.1Very high52 Ų5256.7 Ų56.732%0.31531%0.307SS..Hα-helixtrans-66-39.1176.1167.10000111.9K32 K377 L378 L379 M385K32-V381 HydrophobicContact CB-CG1 3.68Å; K32-V381 HydrophobicContact CD-CG1 4.08Å; K32-V381 HydrophobicContact CG-CG1 3.77Å; K377-V381 VanDerWaalsContact O-CG2 3.24Å; K377-V381 WeakPolarHBondContact O-CG2 3.37Å; K377-V381 PolarHBondContact O-N 2.95Å; L378-V381 PolarHBondContact O-N 2.93Å; L379-V381 PolarHBondContact O-N 3.46Å; V381-M385 PolarHBondContact O-N 3.14Å
382V97.3Very high94.7Very high0 Ų060.6 Ų60.60%033%0.325CS..Hα-helixtrans-74.9-33.3176.2179.70000111.3K32 L33 L36 A301 K305 L378 L379 M385 L386K32-V382 WeakPolarHBondContact O-CG2 3.37Å; L33-V382 HydrophobicContact CD1-CG1 4.28Å; L33-V382 HydrophobicContact CD1-CG2 4.17Å; L36-V382 HydrophobicContact CB-CG2 4.2Å; L36-V382 HydrophobicContact CD2-CB 4.45Å; L36-V382 HydrophobicContact CD2-CG2 3.82Å; A301-V382 HydrophobicContact CB-CG1 4.07Å; K305-V382 HydrophobicContact CD-CB 4.44Å; K305-V382 HydrophobicContact CD-CG1 3.88Å; K305-V382 HydrophobicContact CG-CB 4.37Å; K305-V382 HydrophobicContact CG-CG1 3.88Å; L378-V382 PolarHBondContact O-N 3.22Å; L379-V382 CarbonylContact O-C 3.5Å; L379-V382 PolarHBondContact O-N 2.89Å; V382-M385 HydrophobicContact CG1-CE 4.17Å; V382-M385 VanDerWaalsContact O-CB 3.32Å; V382-M385 WeakPolarHBondContact O-CB 3.44Å; V382-M385 PolarHBondContact O-N 2.82Å; V382-L386 HydrophobicContact CG1-CD1 4.26Å; V382-L386 WeakPolarHBondContact O-CG 3.44Å; V382-L386 PolarHBondContact O-N 3.35Å
383D95.5Very high94.3Very high62 Ų6257 Ų5733%0.33231%0.309SS..Hα-helixtrans-64-45.4172.9-79-39000111.9K305 L379 E380 M385 L386 A387K305-D383 WeakPolarHBondContact CE-OD1 3.39Å; K305-D383 IonicContact NZ-OD1 2.65Å; K305-D383 PolarHBondContact NZ-OD1 3.36Å; K305-D383 IonicContact NZ-OD2 3.79Å; L379-D383 PolarHBondContact O-N 2.95Å; E380-D383 PolarHBondContact O-N 3.34Å; D383-M385 VanDerWaalsContact C-N 3.32Å; D383-M385 PolarHBondContact O-N 2.87Å; D383-L386 PolarHBondContact O-N 3.27Å; D383-A387 VanDerWaalsContact O-CB 3.3Å; D383-A387 WeakPolarHBondContact O-CB 3.28Å; D383-A387 PolarHBondContact O-N 2.87Å
384D96.1Very high93.8Very high68 Ų6855.9 Ų55.936%0.36430%0.297SS..Hα-helixtrans-59.6-43172.8-178.459.8000111.7K32 E380 L386 A387 H388K32-D384 IonicContact NZ-OD2 3.26Å; K32-D384 PolarHBondContact NZ-OD2 3.4Å; E380-D384 WeakPolarHBondContact O-CB 3.48Å; E380-D384 PolarHBondContact O-N 3.25Å; D384-L386 PolarHBondContact O-N 3.07Å; D384-A387 PolarHBondContact O-N 3.31Å; D384-H388 PolarHBondContact O-N 2.74Å; D384-H388 IonicContact OD1-CE1 2.64Å; D384-H388 IonicContact OD1-CG 3.7Å; D384-H388 IonicContact OD1-ND1 2.97Å; D384-H388 PolarHBondContact OD1-ND1 3.15Å
385M95.9Very high93.3Very high0 Ų056 Ų560%030%0.301CS..Iπ-helixtrans-52.3-53.7172.9-169.8-173.674.500111.9L28 K32 L33 A301 V381 V382 D383 D389 I390L28-M385 HydrophobicContact CB-CG 4.42Å; L28-M385 HydrophobicContact CB-SD 4.08Å; L28-M385 HydrophobicContact CD1-CG 4.11Å; L28-M385 HydrophobicContact CD2-CG 4.39Å; K32-M385 HydrophobicContact CB-CB 4.3Å; K32-M385 HydrophobicContact CB-CG 4.34Å; K32-M385 HydrophobicContact CB-SD 3.85Å; K32-M385 HydrophobicContact CD-CB 3.75Å; K32-M385 HydrophobicContact CD-CG 4.05Å; L33-M385 HydrophobicContact CB-CE 4.47Å; L33-M385 HydrophobicContact CB-SD 4.45Å; A301-M385 HydrophobicContact CB-CE 3.62Å; V381-M385 PolarHBondContact O-N 3.14Å; V382-M385 HydrophobicContact CG1-CE 4.17Å; V382-M385 VanDerWaalsContact O-CB 3.32Å; V382-M385 WeakPolarHBondContact O-CB 3.44Å; V382-M385 PolarHBondContact O-N 2.82Å; D383-M385 VanDerWaalsContact C-N 3.32Å; D383-M385 PolarHBondContact O-N 2.87Å; M385-D389 WeakPolarHBondContact CA-OD2 3.29Å; M385-D389 PolarHBondContact O-N 3.3Å; M385-I390 VanDerWaalsContact O-CG1 3.27Å; M385-I390 WeakPolarHBondContact O-CG1 3.48Å; M385-I390 PolarHBondContact O-N 2.99Å
386L94.1Very high92.7Very high41 Ų4153.5 Ų53.522%0.21529%0.292CS..Iπ-helixtrans-68.8-35.1-176.2-70.8172.9000113I298 A301 R302 K305 V382 D383 D384 I390I298-L386 HydrophobicContact CB-CD2 4.37Å; I298-L386 HydrophobicContact CG1-CD2 4.21Å; I298-L386 HydrophobicContact CG2-CD2 4.06Å; A301-L386 HydrophobicContact CB-CD1 4.35Å; A301-L386 HydrophobicContact CB-CD2 4.02Å; A301-L386 HydrophobicContact CB-CG 4.42Å; R302-L386 HydrophobicContact CG-CD1 4.48Å; K305-L386 HydrophobicContact CD-CD1 4.2Å; V382-L386 HydrophobicContact CG1-CD1 4.26Å; V382-L386 WeakPolarHBondContact O-CG 3.44Å; V382-L386 PolarHBondContact O-N 3.35Å; D383-L386 PolarHBondContact O-N 3.27Å; D384-L386 PolarHBondContact O-N 3.07Å; L386-I390 HydrophobicContact CD2-CG1 4.46Å
387A92.4Very high92.1Very high63 Ų6350.7 Ų50.752%0.52127%0.272SS..Iπ-helixtrans-81.9-39.1-176.600000113.3D383 D384D383-A387 VanDerWaalsContact O-CB 3.3Å; D383-A387 WeakPolarHBondContact O-CB 3.28Å; D383-A387 PolarHBondContact O-N 2.87Å; D384-A387 PolarHBondContact O-N 3.31Å
388H92.4Very high91.4Very high111 Ų11151.8 Ų51.851%0.51427%0.272SS..Iπ-helixtrans-117-54.6-169.3-56.9111.4000113.4D384 I390 A391 Q392D384-H388 PolarHBondContact O-N 2.74Å; D384-H388 IonicContact OD1-CE1 2.64Å; D384-H388 IonicContact OD1-CG 3.7Å; D384-H388 IonicContact OD1-ND1 2.97Å; D384-H388 PolarHBondContact OD1-ND1 3.15Å; H388-I390 PolarHBondContact O-N 3.18Å; H388-A391 WeakPolarHBondContact O-CB 3.25Å; H388-A391 PolarHBondContact O-N 3.39Å; H388-Q392 PolarHBondContact O-N 2.84Å
389D92.3Very high90.6Very high22 Ų2254.6 Ų54.612%0.11829%0.285CS..Iπ-helixtrans-69.5-37.2-172.6-50.8-96.7000112.4L28 K32 M385 A391 Q392 L393L28-D389 HydrophobicContact CD1-CB 3.75Å; L28-D389 HydrophobicContact CD2-CB 3.78Å; L28-D389 HydrophobicContact CG-CB 4.44Å; K32-D389 IonicContact NZ-OD1 3.98Å; K32-D389 PolarHBondContact NZ-OD1 3.23Å; K32-D389 IonicContact NZ-OD2 3.65Å; K32-D389 PolarHBondContact NZ-OD2 3.35Å; M385-D389 WeakPolarHBondContact CA-OD2 3.29Å; M385-D389 PolarHBondContact O-N 3.3Å; D389-A391 VanDerWaalsContact C-N 3.27Å; D389-A391 PolarHBondContact O-N 2.51Å; D389-Q392 PolarHBondContact O-N 3.26Å; D389-L393 PolarHBondContact O-N 3.18Å
390I90.7Very high89.6Confident14 Ų1456 Ų567%0.07229%0.291CS..Hα-helixtrans-59.9-39.3174.4-68.6-66.5000111L28 L294 I298 M385 L386 H388 Q392 L393 M394L28-I390 HydrophobicContact CD1-CD1 4.48Å; L294-I390 HydrophobicContact CD1-CD1 3.41Å; L294-I390 VanDerWaalsContact CD1-CD1 3.41Å; L294-I390 HydrophobicContact CD1-CG2 4.3Å; L294-I390 HydrophobicContact CD2-CG2 4.5Å; L294-I390 HydrophobicContact CG-CD1 4.38Å; I298-I390 HydrophobicContact CD1-CD1 4.43Å; I298-I390 HydrophobicContact CD1-CG2 3.69Å; I298-I390 HydrophobicContact CG1-CD1 3.95Å; I298-I390 HydrophobicContact CG1-CG1 4.26Å; I298-I390 HydrophobicContact CG1-CG2 4.21Å; M385-I390 VanDerWaalsContact O-CG1 3.27Å; M385-I390 WeakPolarHBondContact O-CG1 3.48Å; M385-I390 PolarHBondContact O-N 2.99Å; L386-I390 HydrophobicContact CD2-CG1 4.46Å; H388-I390 PolarHBondContact O-N 3.18Å; I390-Q392 VanDerWaalsContact C-N 3.32Å; I390-Q392 PolarHBondContact O-N 2.79Å; I390-L393 PolarHBondContact O-N 3.09Å; I390-M394 WeakPolarHBondContact O-CG 3.35Å; I390-M394 PolarHBondContact O-N 3.19Å
391A88.4Confident88.6Confident54 Ų5453.2 Ų53.245%0.44628%0.278SS..Hα-helixtrans-64.9-37.2177.900000111.9H388 D389 M394 V395H388-A391 WeakPolarHBondContact O-CB 3.25Å; H388-A391 PolarHBondContact O-N 3.39Å; D389-A391 VanDerWaalsContact C-N 3.27Å; D389-A391 PolarHBondContact O-N 2.51Å; A391-M394 PolarHBondContact O-N 2.86Å; A391-V395 PolarHBondContact O-N 3.24Å
392Q87.1Confident87.4Confident87 Ų8755.1 Ų55.141%0.40729%0.294SS..Hα-helixtrans-67.1-43.1174.6-64.6178.19.800111.5H388 D389 I390 M394 V395 L396H388-Q392 PolarHBondContact O-N 2.84Å; D389-Q392 PolarHBondContact O-N 3.26Å; I390-Q392 VanDerWaalsContact C-N 3.32Å; I390-Q392 PolarHBondContact O-N 2.79Å; Q392-M394 VanDerWaalsContact C-N 3.3Å; Q392-M394 PolarHBondContact O-N 2.71Å; Q392-V395 WeakPolarHBondContact O-CB 3.5Å; Q392-V395 PolarHBondContact O-N 3.12Å; Q392-V395 VanDerWaalsContact O-N 3.16Å; Q392-L396 PolarHBondContact O-N 3.14Å
393L86.5Confident85.9Confident0 Ų062.5 Ų62.50%033%0.328CS..Hα-helixtrans-61.5-37.1174.7-83.4169.6000112.6F18 V21 L25 L28 L294 D389 I390 V395 L396 V397F18-L393 HydrophobicContact CD2-CD2 4.47Å; V21-L393 HydrophobicContact CG1-CD2 4.42Å; L25-L393 HydrophobicContact CD2-CD1 4.11Å; L28-L393 HydrophobicContact CD1-CD1 3.29Å; L28-L393 HydrophobicContact CD1-CG 4.42Å; L28-L393 HydrophobicContact CG-CD1 4.25Å; L294-L393 HydrophobicContact CD1-CB 4.13Å; L294-L393 HydrophobicContact CD1-CD1 4.04Å; D389-L393 PolarHBondContact O-N 3.18Å; I390-L393 PolarHBondContact O-N 3.09Å; L393-V395 VanDerWaalsContact C-N 3.26Å; L393-V395 PolarHBondContact O-N 3.24Å; L393-L396 HydrophobicContact CD2-CD1 4.32Å; L393-L396 CarbonylContact O-C 3.57Å; L393-L396 WeakPolarHBondContact O-CB 3.26Å; L393-L396 PolarHBondContact O-N 3.36Å; L393-L396 VanDerWaalsContact O-N 3.1Å; L393-V397 WeakPolarHBondContact O-CG2 3.34Å; L393-V397 PolarHBondContact O-N 2.72Å
394M85.8Confident84.3Confident54 Ų5464.8 Ų64.827%0.26633%0.332SS..Hα-helixtrans-60.4-35175.6-79.1-61.7-61.200112.9L291 L294 I390 A391 Q392 R398L291-M394 HydrophobicContact CD1-CE 3.76Å; L291-M394 HydrophobicContact CD1-SD 3.91Å; L294-M394 HydrophobicContact CD2-CG 3.75Å; L294-M394 HydrophobicContact CD2-SD 3.15Å; L294-M394 WeakPolarHBondContact CD2-SD 3.41Å; I390-M394 WeakPolarHBondContact O-CG 3.35Å; I390-M394 PolarHBondContact O-N 3.19Å; A391-M394 PolarHBondContact O-N 2.86Å; Q392-M394 VanDerWaalsContact C-N 3.3Å; Q392-M394 PolarHBondContact O-N 2.71Å; M394-R398 WeakPolarHBondContact O-CG 3.36Å; M394-R398 PolarHBondContact O-N 3.14Å
395V86.2Confident82.7Confident80 Ų8066.9 Ų66.949%0.48535%0.35SS..Hα-helixtrans-67.2-43.3174.1177.40000110.3A391 Q392 L393 R398 Q399A391-V395 PolarHBondContact O-N 3.24Å; Q392-V395 WeakPolarHBondContact O-CB 3.5Å; Q392-V395 PolarHBondContact O-N 3.12Å; Q392-V395 VanDerWaalsContact O-N 3.16Å; L393-V395 VanDerWaalsContact C-N 3.26Å; L393-V395 PolarHBondContact O-N 3.24Å; V395-R398 PolarHBondContact O-N 3.09Å; V395-Q399 WeakPolarHBondContact O-CG 3.39Å; V395-Q399 PolarHBondContact O-N 3.02Å
396L83.4Confident81Confident44 Ų4472.2 Ų72.223%0.2338%0.377CS..Hα-helixtrans-64.1-40.2177-69171.7000112.6F18 V21 Q392 L393 R398 Q399 E400F18-L396 HydrophobicContact CB-CD1 4.01Å; F18-L396 HydrophobicContact CD2-CD1 3.72Å; F18-L396 HydrophobicContact CG-CD1 4.32Å; V21-L396 HydrophobicContact CG2-CB 4.21Å; Q392-L396 PolarHBondContact O-N 3.14Å; L393-L396 HydrophobicContact CD2-CD1 4.32Å; L393-L396 CarbonylContact O-C 3.57Å; L393-L396 WeakPolarHBondContact O-CB 3.26Å; L393-L396 PolarHBondContact O-N 3.36Å; L393-L396 VanDerWaalsContact O-N 3.1Å; L396-R398 VanDerWaalsContact C-N 3.33Å; L396-R398 PolarHBondContact O-N 3.32Å; L396-Q399 PolarHBondContact O-N 2.96Å; L396-E400 PolarHBondContact O-N 3.26Å
397V83.6Confident79.7Confident3 Ų375.3 Ų75.32%0.01839%0.39CS..Hα-helixtrans-55.7-49.4173.9170.20000110.4V21 A290 L291 L393 Q399 E400 E401V21-V397 HydrophobicContact CB-CG2 4.35Å; V21-V397 HydrophobicContact CG1-CG2 3.73Å; V21-V397 HydrophobicContact CG2-CB 4.39Å; V21-V397 HydrophobicContact CG2-CG2 3.67Å; A290-V397 HydrophobicContact CB-CG2 4.41Å; L291-V397 HydrophobicContact CB-CG1 4.37Å; L291-V397 HydrophobicContact CD1-CG1 4.25Å; L393-V397 WeakPolarHBondContact O-CG2 3.34Å; L393-V397 PolarHBondContact O-N 2.72Å; V397-Q399 VanDerWaalsContact C-N 3.31Å; V397-Q399 PolarHBondContact O-N 3.45Å; V397-E400 PolarHBondContact O-N 3.43Å; V397-E401 HydrophobicContact CG1-CG 4.48Å; V397-E401 WeakPolarHBondContact O-CB 3.36Å; V397-E401 WeakPolarHBondContact O-CG 3.47Å; V397-E401 PolarHBondContact O-N 2.98Å
398R82.9Confident79Confident177 Ų17775.1 Ų75.167%0.66838%0.379SS*.Hα-helixtrans-63.1-37.6178.4-68.3177.8-174.8-161.22112.3M394 V395 L396 S402M394-R398 WeakPolarHBondContact O-CG 3.36Å; M394-R398 PolarHBondContact O-N 3.14Å; V395-R398 PolarHBondContact O-N 3.09Å; L396-R398 VanDerWaalsContact C-N 3.33Å; L396-R398 PolarHBondContact O-N 3.32Å; R398-S402 WeakPolarHBondContact O-CB 3.07Å; R398-S402 PolarHBondContact O-N 3.42Å; R398-S402 VanDerWaalsContact O-N 3.12Å; R398-S402 PolarHBondContact O-OG 3.36Å
399Q80.5Confident78.5Confident88 Ų8870 Ų7041%0.41136%0.356SS..Hα-helixtrans-66.9-47.9176.7-72.6176.2-3.300111.5V395 L396 V397 E401 S402 Q403V395-Q399 WeakPolarHBondContact O-CG 3.39Å; V395-Q399 PolarHBondContact O-N 3.02Å; L396-Q399 PolarHBondContact O-N 2.96Å; V397-Q399 VanDerWaalsContact C-N 3.31Å; V397-Q399 PolarHBondContact O-N 3.45Å; Q399-E401 VanDerWaalsContact C-N 3.34Å; Q399-E401 PolarHBondContact O-N 3.02Å; Q399-S402 PolarHBondContact O-N 3.18Å; Q399-S402 VanDerWaalsContact O-N 3.12Å; Q399-S402 PolarHBondContact O-OG 3.26Å; Q399-Q403 WeakPolarHBondContact O-CB 3.46Å; Q399-Q403 WeakPolarHBondContact O-CG 3.38Å; Q399-Q403 PolarHBondContact O-N 2.83Å
400E76.8Confident78.1Confident34 Ų3475.6 Ų75.616%0.15938%0.379CS..Hα-helixtrans-59.4-42.9175.8-78.8-164.9159.200111.8T20 V21 L396 V397 S402 Q403 R404T20-E400 WeakPolarHBondContact CA-OE1 3.4Å; T20-E400 WeakPolarHBondContact CB-OE1 3.49Å; V21-E400 HydrophobicContact CG2-CG 4.28Å; V21-E400 VanDerWaalsContact CG2-OE2 3.27Å; V21-E400 WeakPolarHBondContact CG2-OE2 3.47Å; V21-E400 PolarHBondContact N-OE1 3.36Å; L396-E400 PolarHBondContact O-N 3.26Å; V397-E400 PolarHBondContact O-N 3.43Å; E400-S402 VanDerWaalsContact C-N 3.26Å; E400-S402 PolarHBondContact O-N 3.18Å; E400-Q403 PolarHBondContact O-N 3.18Å; E400-R404 WeakPolarHBondContact O-CB 3.48Å; E400-R404 WeakPolarHBondContact O-CG 3.42Å; E400-R404 PolarHBondContact O-N 3.04Å; E400-R404 VanDerWaalsContact O-N 3.08Å; E400-R404 IonicContact OE1-CZ 3.54Å; E400-R404 IonicContact OE1-NH2 3.94Å; E400-R404 PolarHBondContact OE1-NH2 3.19Å; E400-R404 IonicContact OE2-CZ 3.99Å; E400-R404 IonicContact OE2-NH2 3.33Å
401E74.8Confident77.7Confident64 Ų6475.1 Ų75.130%0.29938%0.377SS..Hα-helixtrans-62.9-30.4176.4-76.9-179.8-178.600113V397 Q399V397-E401 HydrophobicContact CG1-CG 4.48Å; V397-E401 WeakPolarHBondContact O-CB 3.36Å; V397-E401 WeakPolarHBondContact O-CG 3.47Å; V397-E401 PolarHBondContact O-N 2.98Å; Q399-E401 VanDerWaalsContact C-N 3.34Å; Q399-E401 PolarHBondContact O-N 3.02Å
402S73.1Confident77.6Confident92 Ų9273 Ų7364%0.64336%0.361SS*.Hα-helixtrans-85-28.1179.769.60000114.1R398 Q399 E400R398-S402 WeakPolarHBondContact O-CB 3.07Å; R398-S402 PolarHBondContact O-N 3.42Å; R398-S402 VanDerWaalsContact O-N 3.12Å; R398-S402 PolarHBondContact O-OG 3.36Å; Q399-S402 PolarHBondContact O-N 3.18Å; Q399-S402 VanDerWaalsContact O-N 3.12Å; Q399-S402 PolarHBondContact O-OG 3.26Å; E400-S402 VanDerWaalsContact C-N 3.26Å; E400-S402 PolarHBondContact O-N 3.18Å
403Q66.2Low77.5Confident155 Ų15569.2 Ų69.272%0.72434%0.344SS*.Hα-helixtrans-97.2-26.4-173.1-70.2179.15.900113.6Q399 E400Q399-Q403 WeakPolarHBondContact O-CB 3.46Å; Q399-Q403 WeakPolarHBondContact O-CG 3.38Å; Q399-Q403 PolarHBondContact O-N 2.83Å; E400-Q403 PolarHBondContact O-N 3.18Å
404R61.5Low77.4Confident109 Ų10969.3 Ų69.341%0.41135%0.345SS..SBendtrans-83.7141.9178.6-67.5-175-178.11749.7110.5E400 I406E400-R404 WeakPolarHBondContact O-CB 3.48Å; E400-R404 WeakPolarHBondContact O-CG 3.42Å; E400-R404 PolarHBondContact O-N 3.04Å; E400-R404 VanDerWaalsContact O-N 3.08Å; E400-R404 IonicContact OE1-CZ 3.54Å; E400-R404 IonicContact OE1-NH2 3.94Å; E400-R404 PolarHBondContact OE1-NH2 3.19Å; E400-R404 IonicContact OE2-CZ 3.99Å; E400-R404 IonicContact OE2-NH2 3.33Å; R404-I406 PolarHBondContact O-N 3.25Å
405P61.3Low76.8Confident113 Ų11373.1 Ų73.173%0.73436%0.362SS*.  trans-54.9143167.224.3-31.7000108.8Q407P405-Q407 PolarHBondContact O-N 3.38Å
406I62Low75.5Confident111 Ų11171.7 Ų71.757%0.56936%0.363SS*.  trans-53.5103.6-175.7-61.2170.3000108.9R404 M408R404-I406 PolarHBondContact O-N 3.25Å; I406-M408 HydrophobicContact CG2-CB 4.5Å; I406-M408 HydrophobicContact CG2-CG 3.57Å; I406-M408 HydrophobicContact CG2-SD 3.48Å; I406-M408 WeakPolarHBondContact CG2-SD 3.34Å; I406-M408 PolarHBondContact O-N 3.21Å
407Q65.8Low74.1Confident107 Ų10770.4 Ų70.450%0.536%0.357SS..  trans-76.294.6172.7-80.7-175.4-11.300107.6P286 R287 P405P286-Q407 HydrophobicContact CB-CB 4.18Å; R287-Q407 PolarHBondContact N-O 3.34Å; P405-Q407 PolarHBondContact O-N 3.38Å
408M78.3Confident72.6Confident59 Ų5974.3 Ų74.329%0.29138%0.377SS..  trans-108.2155.7169.1-80.5166.279.400109.4Q283 I406 K410 L418Q283-M408 HydrophobicContact CB-CE 3.95Å; Q283-M408 HydrophobicContact CB-CG 4.46Å; Q283-M408 HydrophobicContact CG-CE 4.34Å; Q283-M408 WeakPolarHBondContact O-CA 3.45Å; Q283-M408 VanDerWaalsContact OE1-CE 3.24Å; I406-M408 HydrophobicContact CG2-CB 4.5Å; I406-M408 HydrophobicContact CG2-CG 3.57Å; I406-M408 HydrophobicContact CG2-SD 3.48Å; I406-M408 WeakPolarHBondContact CG2-SD 3.34Å; I406-M408 PolarHBondContact O-N 3.21Å; M408-K410 PolarHBondContact O-N 3.45Å; M408-L418 HydrophobicContact CE-CD1 3.91Å
409V81.5Confident71Confident4 Ų474.5 Ų74.52%0.02439%0.385CS..  trans-60.3131.6166.7-176.80000108.8V145 I149 Q283 P286 F414V145-V409 HydrophobicContact CB-CG1 4.2Å; V145-V409 HydrophobicContact CG1-CG1 3.73Å; V145-V409 HydrophobicContact CG2-CG1 4.31Å; I149-V409 HydrophobicContact CD1-CG1 4.45Å; I149-V409 HydrophobicContact CD1-CG2 4.22Å; I149-V409 HydrophobicContact CG1-CG1 4.47Å; I149-V409 HydrophobicContact CG1-CG2 4.21Å; I149-V409 HydrophobicContact CG2-CG2 3.7Å; Q283-V409 HydrophobicContact CG-CB 4.1Å; Q283-V409 PolarHBondContact O-N 2.75Å; P286-V409 HydrophobicContact CG-CG2 4.06Å; V409-F414 HydrophobicContact CB-CD2 4.45Å; V409-F414 HydrophobicContact CG1-CD2 3.55Å; V409-F414 HydrophobicContact CG1-CE2 3.61Å; V409-F414 HydrophobicContact CG1-CG 4.1Å; V409-F414 HydrophobicContact CG1-CZ 4.17Å
410K83.2Confident69.5Low139 Ų13972 Ų7260%0.60438%0.384SS*.  trans-120.3158.9-178.9-61.2-176.5-177.6-179.10110.4P144 V145 M408P144-K410 CarbonylContact C-O 3.48Å; P144-K410 WeakPolarHBondContact CB-O 3.11Å; V145-K410 WeakPolarHBondContact CA-O 3.16Å; V145-K410 WeakPolarHBondContact CG2-O 3.36Å; V145-K410 PolarHBondContact N-O 2.75Å; V145-K410 VanDerWaalsContact N-O 3.12Å; M408-K410 PolarHBondContact O-N 3.45Å
411G83.6Confident68.1Low3 Ų375.3 Ų75.33%0.03141%0.408CS..SBendtrans70.5175.8-179.900000114.4V145 F414 E415V145-G411 VanDerWaalsContact CG2-O 3.3Å; V145-G411 WeakPolarHBondContact CG2-O 3.36Å; G411-F414 WeakPolarHBondContact O-CB 3.45Å; G411-F414 WeakPolarHBondContact O-CD2 3.16Å; G411-E415 WeakPolarHBondContact CA-OE1 3.35Å; G411-E415 PolarHBondContact N-OE1 3.03Å
412G86.3Confident67.1Low10 Ų1079.1 Ų79.110%0.10342%0.424CS..G310 helixtrans59.3-149.7-175.700000112.4E80 F414 E415E80-G412 VanDerWaalsContact CD-C 3.43Å; G412-F414 PolarHBondContact O-N 3.22Å; G412-E415 PolarHBondContact O-N 3.1Å
413A84.3Confident66.3Low7 Ų775.4 Ų75.46%0.05840%0.4CS..G310 helixtrans-62.6-10.7-175.300000114.1Y77 L78 E80 F279Y77-A413 WeakPolarHBondContact O-CB 3.41Å; L78-A413 PolarHBondContact O-N 3.18Å; L78-A413 VanDerWaalsContact O-N 3.16Å; E80-A413 HydrophobicContact CG-CB 4.35Å; F279-A413 HydrophobicContact CE2-CB 3.59Å; F279-A413 WeakPolarHBondContact CE2-O 3.3Å; F279-A413 HydrophobicContact CZ-CB 3.78Å
414F83.6Confident65.3Low3 Ų373.7 Ų73.71%0.01339%0.392CS..G310 helixtrans-76.8-21.3-179.8-64.1-68.9000113.8L78 V145 F279 I282 Q283 V409 G411 G412 T417L78-F414 HydrophobicContact CB-CE2 4.36Å; L78-F414 HydrophobicContact CD1-CZ 4.46Å; L78-F414 HydrophobicContact CD2-CE1 4.38Å; L78-F414 HydrophobicContact CD2-CE2 4.19Å; L78-F414 HydrophobicContact CD2-CZ 3.74Å; V145-F414 HydrophobicContact CG1-CD2 4.37Å; V145-F414 HydrophobicContact CG1-CE2 3.8Å; V145-F414 HydrophobicContact CG2-CD2 3.84Å; V145-F414 HydrophobicContact CG2-CE2 4.05Å; F279-F414 HydrophobicContact CB-CD1 3.9Å; F279-F414 HydrophobicContact CB-CE1 3.94Å; F279-F414 HydrophobicContact CD1-CE1 4.18Å; F279-F414 HydrophobicContact CD2-CD1 4.26Å; F279-F414 HydrophobicContact CG-CD1 4.05Å; F279-F414 AromaticContact CG-CE1 3.97Å; F279-F414 HydrophobicContact CG-CE1 3.97Å; I282-F414 HydrophobicContact CB-CE1 4.05Å; I282-F414 HydrophobicContact CB-CZ 4.2Å; I282-F414 HydrophobicContact CG2-CE1 3.99Å; I282-F414 HydrophobicContact CG2-CZ 3.67Å; Q283-F414 HydrophobicContact CG-CB 4.34Å; Q283-F414 HydrophobicContact CG-CD1 3.47Å; Q283-F414 VanDerWaalsContact CG-CD1 3.47Å; Q283-F414 HydrophobicContact CG-CE1 4.06Å; Q283-F414 HydrophobicContact CG-CG 4.1Å; Q283-F414 PolarHBondContact NE2-O 3.39Å; V409-F414 HydrophobicContact CB-CD2 4.45Å; V409-F414 HydrophobicContact CG1-CD2 3.55Å; V409-F414 HydrophobicContact CG1-CE2 3.61Å; V409-F414 HydrophobicContact CG1-CG 4.1Å; V409-F414 HydrophobicContact CG1-CZ 4.17Å; G411-F414 WeakPolarHBondContact O-CB 3.45Å; G411-F414 WeakPolarHBondContact O-CD2 3.16Å; G412-F414 PolarHBondContact O-N 3.22Å; F414-T417 PolarHBondContact O-OG1 3Å
415E73.6Confident64.9Low134 Ų13470 Ų7063%0.62639%0.387SS*.SBendtrans-74.8-35.9-178.8-73.2-172.9172.600113G411 G412 T417G411-E415 WeakPolarHBondContact CA-OE1 3.35Å; G411-E415 PolarHBondContact N-OE1 3.03Å; G412-E415 PolarHBondContact O-N 3.1Å; E415-T417 PolarHBondContact O-N 3.35Å
416G58.7Low64.7Low49 Ų4968.1 Ų68.151%0.50537%0.366SS..THydrogen-bonded Turntrans-69-15.1-178.300000115.1
417T55.8Low64.7Low18 Ų1863.7 Ų63.711%0.1135%0.348CS..THydrogen-bonded Turntrans-89.5-17.7-170.2530000115.5Q276 F279 F414 E415Q276-T417 HydrophobicContact CG-CG2 3.92Å; F279-T417 HydrophobicContact CD2-CG2 3.57Å; F279-T417 HydrophobicContact CE2-CG2 4.23Å; F414-T417 PolarHBondContact O-OG1 3Å; E415-T417 PolarHBondContact O-N 3.35Å
418L52Low64.7Low84 Ų8462 Ų6244%0.4434%0.34SS..THydrogen-bonded Turntrans-114-37.5-170.7-73.9161.9000113.7M408M408-L418 HydrophobicContact CE-CD1 3.91Å
419H47.6Very low64.9Low181 Ų18159.4 Ų59.484%0.83833%0.328SS*.SBendtrans-148.881.2-174.7-68.2-63000111.4
420G50.3Low64.7Low36 Ų3659.8 Ų59.837%0.37133%0.332SS..SBendtrans-151167.3169.800000109.9F422 G423G420-F422 PolarHBondContact O-N 3.43Å; G420-G423 PolarHBondContact O-N 2.93Å
421P47.8Very low64.4Low103 Ų10353.8 Ų53.867%0.66931%0.309SS*.THydrogen-bonded Turntrans-61.3-4173.926.8-33.4000112.8Y426P421-Y426 WeakPolarHBondContact O-CD2 3.42Å; P421-Y426 WeakPolarHBondContact O-CE2 3.12Å
422F52.7Low64.2Low145 Ų14556.2 Ų56.264%0.63632%0.32SS*.THydrogen-bonded Turntrans-117.615177.4-52.6-72.6000113.3G420 Y426G420-F422 PolarHBondContact O-N 3.43Å; F422-Y426 HydrophobicContact CD1-CD1 4.39Å; F422-Y426 HydrophobicContact CD1-CE1 4.03Å; F422-Y426 HydrophobicContact CD1-CE2 4.3Å; F422-Y426 AromaticContact CD1-CZ 3.94Å; F422-Y426 HydrophobicContact CE1-CE1 4.42Å
423G56.9Low63.9Low13 Ų1356.2 Ų56.213%0.13432%0.32CS..SBendtrans-73173.5-178.200000114.4G420 G425 Y426G420-G423 PolarHBondContact O-N 2.93Å; G423-G425 PolarHBondContact O-N 3.48Å; G423-Y426 WeakPolarHBondContact O-CB 3.4Å; G423-Y426 PolarHBondContact O-N 3.42Å
424H44.8Very low63.5Low120 Ų12059.1 Ų59.156%0.55633%0.334SS*.THydrogen-bonded Turntrans-38.2120-177.4-156.4-54.8000113.7Q276Q276-H424 PolarHBondContact OE1-CD2 2.99Å
425G53Low63.1Low31 Ų3164.6 Ų64.632%0.3236%0.364SS..THydrogen-bonded Turntrans90.57.4-177.800000115.5G423 G427 E428G423-G425 PolarHBondContact O-N 3.48Å; G425-G427 PolarHBondContact O-N 3.29Å; G425-E428 PolarHBondContact O-N 2.9Å
426Y56.4Low63.3Low73 Ų7361.4 Ų61.429%0.28635%0.351SS..THydrogen-bonded Turntrans-58.2121.8169-171.3-103.7000110.7P421 F422 G423 E428 I434 D435P421-Y426 WeakPolarHBondContact O-CD2 3.42Å; P421-Y426 WeakPolarHBondContact O-CE2 3.12Å; F422-Y426 HydrophobicContact CD1-CD1 4.39Å; F422-Y426 HydrophobicContact CD1-CE1 4.03Å; F422-Y426 HydrophobicContact CD1-CE2 4.3Å; F422-Y426 AromaticContact CD1-CZ 3.94Å; F422-Y426 HydrophobicContact CE1-CE1 4.42Å; G423-Y426 WeakPolarHBondContact O-CB 3.4Å; G423-Y426 PolarHBondContact O-N 3.42Å; Y426-E428 VanDerWaalsContact C-N 3.29Å; Y426-E428 PolarHBondContact O-N 3.25Å; Y426-I434 HydrophobicContact CD2-CD1 4.31Å; Y426-I434 HydrophobicContact CD2-CG2 4Å; Y426-I434 HydrophobicContact CE1-CG2 4.09Å; Y426-I434 HydrophobicContact CE2-CD1 4.01Å; Y426-I434 HydrophobicContact CE2-CG1 4.38Å; Y426-I434 HydrophobicContact CE2-CG2 3.57Å; Y426-I434 HydrophobicContact CG-CG2 4.48Å; Y426-D435 WeakPolarHBondContact CE1-OD2 3.44Å; Y426-D435 VanDerWaalsContact CZ-OD2 3.25Å; Y426-D435 PolarHBondContact OH-OD1 3.24Å; Y426-D435 PolarHBondContact OH-OD2 3.39Å
427G61.8Low64Low18 Ų1864.1 Ų64.119%0.18637%0.368CS..THydrogen-bonded Turntrans76.49.1-175.900000115.2G425 G431G425-G427 PolarHBondContact O-N 3.29Å; G427-G431 CarbonylContact C-O 3.6Å; G427-G431 WeakPolarHBondContact CA-O 3.46Å; G427-G431 PolarHBondContact N-O 3.04Å
428E66.6Low65.3Low72 Ų7270.7 Ų70.734%0.33640%0.398SS..SBendtrans-128.1154-179-61.9-168.8162.200113.2G425 Y426 A430 G431 H515G425-E428 PolarHBondContact O-N 2.9Å; Y426-E428 VanDerWaalsContact C-N 3.29Å; Y426-E428 PolarHBondContact O-N 3.25Å; E428-A430 PolarHBondContact O-N 3.47Å; E428-G431 WeakPolarHBondContact O-CA 3.4Å; E428-G431 PolarHBondContact O-N 2.78Å; E428-H515 IonicContact OE2-CE1 3.5Å
429G82.3Confident67.2Low5 Ų567.3 Ų67.35%0.05238%0.379CS..G310 helixtrans53.1-121.2-176.400000111.3G431 E432G429-G431 PolarHBondContact O-N 3.14Å; G429-E432 WeakPolarHBondContact O-CB 3.27Å; G429-E432 PolarHBondContact O-N 3.28Å
430A77.7Confident69.2Low11 Ų1159 Ų599%0.09134%0.341CS..G310 helixtrans-76.30.6176.500000114.9E428 P518 H524 L525E428-A430 PolarHBondContact O-N 3.47Å; A430-P518 HydrophobicContact CB-CB 4.22Å; A430-P518 VanDerWaalsContact CB-CD 3.48Å; A430-P518 HydrophobicContact CB-CG 3.67Å; A430-H524 PolarHBondContact O-CE1 2.65Å; A430-H524 PolarHBondContact O-NE2 2.76Å; A430-L525 HydrophobicContact CB-CD1 4.08Å; A430-L525 WeakPolarHBondContact O-CD1 3.38Å
431G76Confident71.3Confident13 Ų1357.2 Ų57.213%0.13432%0.323CS..G310 helixtrans-96.71.8168.400000113.6G427 E428 G429 G433 I434G427-G431 CarbonylContact C-O 3.6Å; G427-G431 WeakPolarHBondContact CA-O 3.46Å; G427-G431 PolarHBondContact N-O 3.04Å; E428-G431 WeakPolarHBondContact O-CA 3.4Å; E428-G431 PolarHBondContact O-N 2.78Å; G429-G431 PolarHBondContact O-N 3.14Å; G431-G433 PolarHBondContact O-N 3.43Å; G431-I434 WeakPolarHBondContact O-CB 3.43Å; G431-I434 WeakPolarHBondContact O-CG2 3.42Å; G431-I434 PolarHBondContact O-N 2.99Å
432E80.8Confident73.3Confident54 Ų5454.5 Ų54.525%0.25231%0.309SS..THydrogen-bonded Turntrans-59.4129.3178.4-162.5-170.817200110.7G429 I434 V440 H506 H524G429-E432 WeakPolarHBondContact O-CB 3.27Å; G429-E432 PolarHBondContact O-N 3.28Å; E432-I434 VanDerWaalsContact C-N 3.32Å; E432-I434 PolarHBondContact O-N 3.14Å; E432-V440 HydrophobicContact CB-CG2 4.27Å; E432-V440 HydrophobicContact CG-CG2 3.86Å; E432-V440 WeakPolarHBondContact O-CG1 3.37Å; E432-H506 IonicContact OE2-CE1 3.71Å; E432-H506 PolarHBondContact OE2-CE1 3.01Å; E432-H524 PolarHBondContact O-CD2 3.34Å; E432-H524 PolarHBondContact O-NE2 3.17Å
433G78.4Confident75Confident11 Ų1155.2 Ų55.211%0.11331%0.308CS..THydrogen-bonded Turntrans71.820.9-17900000115G431 D435 D436G431-G433 PolarHBondContact O-N 3.43Å; G433-D435 PolarHBondContact O-N 2.85Å; G433-D436 PolarHBondContact O-N 2.96Å
434I77.3Confident76.7Confident68 Ų6856.8 Ų56.835%0.34931%0.313SS..THydrogen-bonded Turntrans-58.1-28.5174.5-165.8160.8000113.9Y426 G431 E432Y426-I434 HydrophobicContact CD2-CD1 4.31Å; Y426-I434 HydrophobicContact CD2-CG2 4Å; Y426-I434 HydrophobicContact CE1-CG2 4.09Å; Y426-I434 HydrophobicContact CE2-CD1 4.01Å; Y426-I434 HydrophobicContact CE2-CG1 4.38Å; Y426-I434 HydrophobicContact CE2-CG2 3.57Å; Y426-I434 HydrophobicContact CG-CG2 4.48Å; G431-I434 WeakPolarHBondContact O-CB 3.43Å; G431-I434 WeakPolarHBondContact O-CG2 3.42Å; G431-I434 PolarHBondContact O-N 2.99Å; E432-I434 VanDerWaalsContact C-N 3.32Å; E432-I434 PolarHBondContact O-N 3.14Å
435D74Confident79Confident118 Ų11852.5 Ų52.563%0.63129%0.293SS*.THydrogen-bonded Turntrans-100.9-1.5176-71.6-42000113.5Y426 G433Y426-D435 WeakPolarHBondContact CE1-OD2 3.44Å; Y426-D435 VanDerWaalsContact CZ-OD2 3.25Å; Y426-D435 PolarHBondContact OH-OD1 3.24Å; Y426-D435 PolarHBondContact OH-OD2 3.39Å; G433-D435 PolarHBondContact O-N 2.85Å
436D77.4Confident81Confident67 Ų6755 Ų5536%0.35830%0.303SS..  trans-77.4134.1-179.7-74.2-6.9000109.8G433 E438 R443G433-D436 PolarHBondContact O-N 2.96Å; D436-E438 PolarHBondContact O-N 3.42Å; D436-R443 IonicContact OD1-NH2 2.87Å; D436-R443 IonicContact OD2-CZ 3.24Å; D436-R443 IonicContact OD2-NH2 2.67Å; D436-R443 PolarHBondContact OD2-NH2 3.04Å
437A74.3Confident82.8Confident106 Ų10656.3 Ų56.388%0.87631%0.313SS*.SBendtrans-67.2-24.3174.200000112.3
438E84.1Confident84.4Confident156 Ų15655.9 Ų55.973%0.72931%0.306SS*.SBendtrans-102.2153.4179.1-66.4-172169.900111.2D436 V440D436-E438 PolarHBondContact O-N 3.42Å; E438-V440 PolarHBondContact O-N 3.08Å
439W91.6Very high85.7Confident13 Ų1354 Ų545%0.04930%0.298CS..  trans-66.6117.1178.2-176.245.9000110.2V441 A442 K445 E499 A502 L503 H524 L525 P527 P528W439-V441 HydrophobicContact CD2-CB 3.81Å; W439-V441 HydrophobicContact CD2-CG2 4.27Å; W439-V441 HydrophobicContact CE3-CB 4.04Å; W439-V441 HydrophobicContact CG-CB 4.5Å; W439-V441 HydrophobicContact CH2-CB 3.8Å; W439-V441 HydrophobicContact CH2-CG1 3.8Å; W439-V441 HydrophobicContact CH2-CG2 4.38Å; W439-V441 HydrophobicContact CZ2-CB 3.55Å; W439-V441 HydrophobicContact CZ2-CG1 3.92Å; W439-V441 HydrophobicContact CZ2-CG2 3.66Å; W439-V441 HydrophobicContact CZ3-CB 4.04Å; W439-V441 HydrophobicContact CZ3-CG1 4.21Å; W439-V441 PolarHBondContact O-N 3.5Å; W439-A442 HydrophobicContact CE3-CB 4.47Å; W439-A442 WeakPolarHBondContact O-CB 3.48Å; W439-A442 PolarHBondContact O-N 3.33Å; W439-K445 HydrophobicContact CZ3-CD 4.38Å; W439-E499 HydrophobicContact CH2-CB 4.04Å; W439-E499 WeakPolarHBondContact CH2-O 3.39Å; W439-E499 HydrophobicContact CZ3-CB 4.28Å; W439-E499 HydrophobicContact CZ3-CG 4.37Å; W439-A502 HydrophobicContact CH2-CB 4.3Å; W439-L503 HydrophobicContact CZ2-CB 4.18Å; W439-H524 VanDerWaalsContact CD1-O 3.28Å; W439-L525 PolarHBondContact NE1-O 2.96Å; W439-P527 HydrophobicContact CH2-CB 4.29Å; W439-P527 HydrophobicContact CH2-CG 4.15Å; W439-P527 HydrophobicContact CZ2-CB 4.18Å; W439-P527 HydrophobicContact CZ2-CG 3.81Å; W439-P528 HydrophobicContact CB-CG 3.89Å; W439-P528 HydrophobicContact CD2-CG 4.42Å; W439-P528 HydrophobicContact CE3-CG 4.37Å; W439-P528 HydrophobicContact CG-CG 4.27Å
440V90.1Very high86.3Confident5 Ų560.6 Ų60.63%0.0333%0.328CS..G310 helixtrans-53.3-35.3-172.772.60000113.7E432 E438 A442 R443 L525E432-V440 HydrophobicContact CB-CG2 4.27Å; E432-V440 HydrophobicContact CG-CG2 3.86Å; E432-V440 WeakPolarHBondContact O-CG1 3.37Å; E438-V440 PolarHBondContact O-N 3.08Å; V440-A442 PolarHBondContact O-N 3.01Å; V440-R443 WeakPolarHBondContact O-CG 3.41Å; V440-R443 PolarHBondContact O-N 3.42Å; V440-L525 HydrophobicContact CG1-CD2 3.45Å; V440-L525 VanDerWaalsContact CG1-CD2 3.45Å
441V92.4Very high87Confident0 Ų062.4 Ų62.40%034%0.335CS..G310 helixtrans-66.8-22.5-179.6-173.70000111.7W439 R443 D444 K445 Y448 A502 L503 H506 L525W439-V441 HydrophobicContact CD2-CB 3.81Å; W439-V441 HydrophobicContact CD2-CG2 4.27Å; W439-V441 HydrophobicContact CE3-CB 4.04Å; W439-V441 HydrophobicContact CG-CB 4.5Å; W439-V441 HydrophobicContact CH2-CB 3.8Å; W439-V441 HydrophobicContact CH2-CG1 3.8Å; W439-V441 HydrophobicContact CH2-CG2 4.38Å; W439-V441 HydrophobicContact CZ2-CB 3.55Å; W439-V441 HydrophobicContact CZ2-CG1 3.92Å; W439-V441 HydrophobicContact CZ2-CG2 3.66Å; W439-V441 HydrophobicContact CZ3-CB 4.04Å; W439-V441 HydrophobicContact CZ3-CG1 4.21Å; W439-V441 PolarHBondContact O-N 3.5Å; V441-R443 PolarHBondContact O-N 2.92Å; V441-R443 VanDerWaalsContact O-N 3.12Å; V441-D444 PolarHBondContact O-N 3.24Å; V441-D444 VanDerWaalsContact O-N 3.13Å; V441-K445 PolarHBondContact O-N 3.33Å; V441-Y448 HydrophobicContact CG1-CD2 4.39Å; V441-Y448 HydrophobicContact CG1-CE2 4.27Å; V441-A502 HydrophobicContact CG1-CB 3.83Å; V441-L503 HydrophobicContact CG2-CD1 4.38Å; V441-H506 HydrophobicContact CG1-CB 4.02Å; V441-H506 HydrophobicContact CG2-CB 3.93Å; V441-L525 HydrophobicContact CG2-CD2 4.49Å
442A89.9Confident88Confident45 Ų4561.9 Ų61.937%0.37233%0.329SS..G310 helixtrans-59.2-25.4178.300000113W439 V440W439-A442 HydrophobicContact CE3-CB 4.47Å; W439-A442 WeakPolarHBondContact O-CB 3.48Å; W439-A442 PolarHBondContact O-N 3.33Å; V440-A442 PolarHBondContact O-N 3.01Å
443R89.9Confident88.6Confident160 Ų16066.2 Ų66.260%0.60434%0.344SS*.G310 helixtrans-62.5-43.4176.7-61.5177.8-175.9-171.32112.2D436 V440 V441D436-R443 IonicContact OD1-NH2 2.87Å; D436-R443 IonicContact OD2-CZ 3.24Å; D436-R443 IonicContact OD2-NH2 2.67Å; D436-R443 PolarHBondContact OD2-NH2 3.04Å; V440-R443 WeakPolarHBondContact O-CG 3.41Å; V440-R443 PolarHBondContact O-N 3.42Å; V441-R443 PolarHBondContact O-N 2.92Å; V441-R443 VanDerWaalsContact O-N 3.12Å
444D91.3Very high89.3Confident47 Ų4770.7 Ų70.725%0.25137%0.37SS..THydrogen-bonded Turntrans-99.6-8-177.2-68.6-25.4000112.4V441 P446 M447 Y448 K509V441-D444 PolarHBondContact O-N 3.24Å; V441-D444 VanDerWaalsContact O-N 3.13Å; D444-P446 VanDerWaalsContact C-CD 3.44Å; D444-M447 WeakPolarHBondContact O-CB 3.48Å; D444-M447 PolarHBondContact O-N 2.92Å; D444-M447 VanDerWaalsContact O-N 3.07Å; D444-Y448 HydrophobicContact CB-CD2 4.18Å; D444-Y448 HydrophobicContact CB-CE2 3.48Å; D444-Y448 VanDerWaalsContact CB-CE2 3.48Å; D444-Y448 WeakPolarHBondContact O-CD2 3.1Å; D444-Y448 PolarHBondContact O-N 3.31Å; D444-K509 IonicContact OD2-NZ 3.3Å; D444-K509 PolarHBondContact OD2-NZ 3.01Å
445K93Very high90Very high30 Ų3068.8 Ų68.813%0.1336%0.36CS..Hα-helixtrans-51.2-43.2-178.1-170-174.2-171.2-52.20114.1W439 V441 M447 Y448 D449 D498 A502W439-K445 HydrophobicContact CZ3-CD 4.38Å; V441-K445 PolarHBondContact O-N 3.33Å; K445-M447 PolarHBondContact O-N 3.27Å; K445-Y448 CarbonylContact O-C 3.6Å; K445-Y448 PolarHBondContact O-N 3.47Å; K445-D449 IonicContact NZ-OD1 2.78Å; K445-D449 PolarHBondContact NZ-OD1 3.04Å; K445-D449 IonicContact NZ-OD2 3.91Å; K445-D449 PolarHBondContact NZ-OD2 2.91Å; K445-D449 WeakPolarHBondContact O-CB 3.34Å; K445-D449 VanDerWaalsContact O-CG 3.31Å; K445-D449 PolarHBondContact O-N 2.94Å; K445-D498 IonicContact NZ-OD2 2.76Å; K445-D498 PolarHBondContact NZ-OD2 3.39Å; K445-A502 HydrophobicContact CG-CB 4.08Å
446P95.1Very high90.9Very high82 Ų8267.5 Ų67.553%0.53236%0.361SS..Hα-helixtrans-56.8-37.8178.9-26.435.7000113.4D444 E450D444-P446 VanDerWaalsContact C-CD 3.44Å; P446-E450 PolarHBondContact O-N 3.33Å
447M94.3Very high91.6Very high101 Ų10165.9 Ų65.950%0.49835%0.354SS..Hα-helixtrans-69.7-38.7176.4-177.4-17568.500111.5D444 K445D444-M447 WeakPolarHBondContact O-CB 3.48Å; D444-M447 PolarHBondContact O-N 2.92Å; D444-M447 VanDerWaalsContact O-N 3.07Å; K445-M447 PolarHBondContact O-N 3.27Å
448Y95.2Very high92.4Very high10 Ų1066 Ų664%0.03934%0.343CS..Hα-helixtrans-70.3-35.7177.1-58-37.9000112.4V441 D444 K445 E450 I451 F452 A502 N505 H506V441-Y448 HydrophobicContact CG1-CD2 4.39Å; V441-Y448 HydrophobicContact CG1-CE2 4.27Å; D444-Y448 HydrophobicContact CB-CD2 4.18Å; D444-Y448 HydrophobicContact CB-CE2 3.48Å; D444-Y448 VanDerWaalsContact CB-CE2 3.48Å; D444-Y448 WeakPolarHBondContact O-CD2 3.1Å; D444-Y448 PolarHBondContact O-N 3.31Å; K445-Y448 CarbonylContact O-C 3.6Å; K445-Y448 PolarHBondContact O-N 3.47Å; Y448-E450 VanDerWaalsContact C-N 3.34Å; Y448-E450 PolarHBondContact O-N 3.48Å; Y448-I451 PolarHBondContact O-N 3.13Å; Y448-F452 WeakPolarHBondContact O-CB 3.26Å; Y448-F452 PolarHBondContact O-N 3.08Å; Y448-A502 HydrophobicContact CD2-CB 3.87Å; Y448-A502 HydrophobicContact CG-CB 4.43Å; Y448-N505 HydrophobicContact CD1-CB 3.5Å; Y448-N505 HydrophobicContact CD2-CB 4.25Å; Y448-N505 HydrophobicContact CE1-CB 3.47Å; Y448-N505 VanDerWaalsContact CE1-CB 3.47Å; Y448-N505 HydrophobicContact CE2-CB 4.2Å; Y448-N505 HydrophobicContact CG-CB 3.91Å; Y448-H506 HydrophobicContact CE2-CB 4.38Å
449D94Very high92.7Very high31 Ų3166.2 Ų66.217%0.16635%0.349CS..Hα-helixtrans-62.3-41.4176-73.1-5.6000111K445 I451 F452 Y453K445-D449 IonicContact NZ-OD1 2.78Å; K445-D449 PolarHBondContact NZ-OD1 3.04Å; K445-D449 IonicContact NZ-OD2 3.91Å; K445-D449 PolarHBondContact NZ-OD2 2.91Å; K445-D449 WeakPolarHBondContact O-CB 3.34Å; K445-D449 VanDerWaalsContact O-CG 3.31Å; K445-D449 PolarHBondContact O-N 2.94Å; D449-I451 VanDerWaalsContact C-N 3.29Å; D449-I451 PolarHBondContact O-N 2.9Å; D449-F452 WeakPolarHBondContact O-CB 3.36Å; D449-F452 PolarHBondContact O-N 3.19Å; D449-F452 VanDerWaalsContact O-N 3.15Å; D449-Y453 HydrophobicContact CB-CD2 4.4Å; D449-Y453 HydrophobicContact CB-CE2 4.13Å; D449-Y453 WeakPolarHBondContact O-CD2 3.41Å; D449-Y453 PolarHBondContact O-N 3.35Å
450E94.9Very high92.8Very high145 Ų14567.6 Ų67.668%0.67837%0.368SS*.Hα-helixtrans-55.4-45.2174-73.9-176-179.700111.7P446 Y448 T454P446-E450 PolarHBondContact O-N 3.33Å; Y448-E450 VanDerWaalsContact C-N 3.34Å; Y448-E450 PolarHBondContact O-N 3.48Å; E450-T454 VanDerWaalsContact O-CG2 3.25Å; E450-T454 WeakPolarHBondContact O-CG2 3.47Å; E450-T454 PolarHBondContact O-N 2.9Å
451I93.6Very high93Very high49 Ų4969.5 Ų69.525%0.25138%0.375SS..Hα-helixtrans-66.7-45.8176.8-58.6169.4000110Y448 D449 Y453 T454 L455 E470 F501Y448-I451 PolarHBondContact O-N 3.13Å; D449-I451 VanDerWaalsContact C-N 3.29Å; D449-I451 PolarHBondContact O-N 2.9Å; I451-Y453 VanDerWaalsContact C-N 3.33Å; I451-Y453 PolarHBondContact O-N 3.3Å; I451-T454 PolarHBondContact O-N 2.82Å; I451-T454 VanDerWaalsContact O-N 3.1Å; I451-T454 PolarHBondContact O-OG1 3.03Å; I451-L455 PolarHBondContact O-N 3.04Å; I451-E470 HydrophobicContact CG2-CG 3.97Å; I451-F501 HydrophobicContact CB-CE1 4.11Å; I451-F501 HydrophobicContact CB-CZ 4.47Å; I451-F501 HydrophobicContact CG2-CE1 4Å; I451-F501 HydrophobicContact CG2-CZ 3.84Å
452F95.6Very high93.1Very high2 Ų269.5 Ų69.51%0.00938%0.376CS..Hα-helixtrans-53.9-48.4-179.3-179-102.5000112.1Y448 D449 T454 L455 P457 G460 I462 D497 D498 F501Y448-F452 WeakPolarHBondContact O-CB 3.26Å; Y448-F452 PolarHBondContact O-N 3.08Å; D449-F452 WeakPolarHBondContact O-CB 3.36Å; D449-F452 PolarHBondContact O-N 3.19Å; D449-F452 VanDerWaalsContact O-N 3.15Å; F452-T454 VanDerWaalsContact C-N 3.32Å; F452-T454 PolarHBondContact O-N 3.22Å; F452-L455 WeakPolarHBondContact O-CB 3.46Å; F452-L455 PolarHBondContact O-N 3.25Å; F452-L455 VanDerWaalsContact O-N 3.09Å; F452-P457 HydrophobicContact CD1-CB 4.46Å; F452-P457 HydrophobicContact CD1-CG 4.09Å; F452-P457 HydrophobicContact CE1-CB 3.67Å; F452-P457 HydrophobicContact CE1-CG 3.66Å; F452-P457 HydrophobicContact CZ-CB 3.8Å; F452-P457 HydrophobicContact CZ-CG 4.29Å; F452-G460 WeakPolarHBondContact CZ-O 3.41Å; F452-I462 HydrophobicContact CD2-CD1 4.13Å; F452-I462 HydrophobicContact CD2-CG1 4.36Å; F452-I462 HydrophobicContact CD2-CG2 4.01Å; F452-I462 HydrophobicContact CE2-CB 4.27Å; F452-I462 HydrophobicContact CE2-CD1 4.15Å; F452-I462 HydrophobicContact CE2-CG1 3.88Å; F452-I462 HydrophobicContact CE2-CG2 3.65Å; F452-I462 HydrophobicContact CZ-CG2 4.07Å; F452-D497 WeakPolarHBondContact CE2-O 3.42Å; F452-D498 HydrophobicContact CD1-CB 4Å; F452-D498 HydrophobicContact CE1-CB 3.87Å; F452-D498 HydrophobicContact CG-CB 4.42Å; F452-D498 HydrophobicContact CZ-CB 4.18Å; F452-F501 HydrophobicContact CB-CD1 3.66Å; F452-F501 HydrophobicContact CB-CE1 3.93Å; F452-F501 HydrophobicContact CB-CG 4.42Å; F452-F501 HydrophobicContact CD2-CB 3.58Å; F452-F501 AromaticContact CD2-CD1 3.75Å; F452-F501 HydrophobicContact CD2-CD1 3.75Å; F452-F501 HydrophobicContact CD2-CD2 4.32Å; F452-F501 HydrophobicContact CD2-CE1 4.49Å; F452-F501 AromaticContact CD2-CG 3.63Å; F452-F501 HydrophobicContact CD2-CG 3.63Å; F452-F501 HydrophobicContact CE2-CB 3.99Å; F452-F501 HydrophobicContact CE2-CG 4.42Å; F452-F501 HydrophobicContact CG-CD1 4.18Å; F452-F501 HydrophobicContact CG-CG 4.49Å
453Y93.8Very high93.4Very high144 Ų14470.5 Ų70.557%0.56538%0.377SS*.Hα-helixtrans-68.8-28.3-179.2-70.5-64.3000113.2D449 I451 L455 S456 P457D449-Y453 HydrophobicContact CB-CD2 4.4Å; D449-Y453 HydrophobicContact CB-CE2 4.13Å; D449-Y453 WeakPolarHBondContact O-CD2 3.41Å; D449-Y453 PolarHBondContact O-N 3.35Å; I451-Y453 VanDerWaalsContact C-N 3.33Å; I451-Y453 PolarHBondContact O-N 3.3Å; Y453-L455 PolarHBondContact O-N 3.34Å; Y453-S456 PolarHBondContact O-N 3.14Å; Y453-S456 VanDerWaalsContact O-N 3.13Å; Y453-P457 HydrophobicContact CD1-CG 3.92Å; Y453-P457 HydrophobicContact CE1-CG 4.34Å
454T93.8Very high93.4Very high106 Ų10663.9 Ų63.965%0.6536%0.359SS*.Hα-helixtrans-65.7-22.8173.169.70000112.8E450 I451 F452 S456E450-T454 VanDerWaalsContact O-CG2 3.25Å; E450-T454 WeakPolarHBondContact O-CG2 3.47Å; E450-T454 PolarHBondContact O-N 2.9Å; I451-T454 PolarHBondContact O-N 2.82Å; I451-T454 VanDerWaalsContact O-N 3.1Å; I451-T454 PolarHBondContact O-OG1 3.03Å; F452-T454 VanDerWaalsContact C-N 3.32Å; F452-T454 PolarHBondContact O-N 3.22Å; T454-S456 PolarHBondContact O-N 3.43Å
455L92.3Very high93.5Very high27 Ų2764.6 Ų64.614%0.14137%0.371CS..THydrogen-bonded Turntrans-80.53.7176.8-59.3176.2000113.4I451 F452 Y453 I462 N466 E470 F501I451-L455 PolarHBondContact O-N 3.04Å; F452-L455 WeakPolarHBondContact O-CB 3.46Å; F452-L455 PolarHBondContact O-N 3.25Å; F452-L455 VanDerWaalsContact O-N 3.09Å; Y453-L455 PolarHBondContact O-N 3.34Å; L455-I462 HydrophobicContact CB-CG2 4.05Å; L455-I462 HydrophobicContact CD1-CD1 3.83Å; L455-N466 PolarHBondContact O-ND2 3.44Å; L455-E470 HydrophobicContact CD1-CB 3.99Å; L455-E470 HydrophobicContact CD1-CG 4.25Å; L455-E470 HydrophobicContact CD2-CB 4.4Å; L455-F501 HydrophobicContact CD1-CE2 3.83Å; L455-F501 HydrophobicContact CD1-CZ 3.8Å
456S91.3Very high93.5Very high92 Ų9265.6 Ų65.664%0.64338%0.378SS*.  trans55.465.9176.6-55.70000112.7Y453 T454Y453-S456 PolarHBondContact O-N 3.14Å; Y453-S456 VanDerWaalsContact O-N 3.13Å; T454-S456 PolarHBondContact O-N 3.43Å
457P93.4Very high93.4Very high33 Ų3361.7 Ų61.721%0.21435%0.352CS..  trans-60.9146.1176.826.8-34.3000111.4F452 Y453 K461 I462F452-P457 HydrophobicContact CD1-CB 4.46Å; F452-P457 HydrophobicContact CD1-CG 4.09Å; F452-P457 HydrophobicContact CE1-CB 3.67Å; F452-P457 HydrophobicContact CE1-CG 3.66Å; F452-P457 HydrophobicContact CZ-CB 3.8Å; F452-P457 HydrophobicContact CZ-CG 4.29Å; Y453-P457 HydrophobicContact CD1-CG 3.92Å; Y453-P457 HydrophobicContact CE1-CG 4.34Å; P457-K461 CarbonylContact C-O 3.57Å; P457-K461 VanDerWaalsContact CA-O 3.26Å; P457-K461 WeakPolarHBondContact CA-O 3.37Å; P457-K461 WeakPolarHBondContact CB-O 3.39Å; P457-I462 HydrophobicContact CB-CG2 3.85Å
458V91.4Very high93.3Very high107 Ų10763.1 Ų63.165%0.64836%0.356SS*.BIsolated β-bridgetrans-112.5128173.5-178.80000107.1G460 K461V458-G460 PolarHBondContact O-N 2.87Å; V458-K461 PolarHBondContact N-O 2.95Å; V458-K461 PolarHBondContact O-N 2.9Å; V458-K461 VanDerWaalsContact O-O 3.14Å
459D90.9Very high93.2Very high162 Ų16269.6 Ų69.687%0.86638%0.384SS*.THydrogen-bonded Turntrans5236.1-175.2-59.3-34.9000113.8K461D459-K461 VanDerWaalsContact C-N 3.3Å; D459-K461 PolarHBondContact O-N 3.48Å
460G92.1Very high93.2Very high42 Ų4269.6 Ų69.643%0.43338%0.383SS..THydrogen-bonded Turntrans76.910179.500000114.8F452 V458F452-G460 WeakPolarHBondContact CZ-O 3.41Å; V458-G460 PolarHBondContact O-N 2.87Å
461K94.6Very high93.1Very high44 Ų4463 Ų6319%0.19135%0.353CS..BIsolated β-bridgetrans-127.8148.5178.3-64-162.6172.4-151.70113P457 V458 D459 D491 D493 M495 L496 D497P457-K461 CarbonylContact C-O 3.57Å; P457-K461 VanDerWaalsContact CA-O 3.26Å; P457-K461 WeakPolarHBondContact CA-O 3.37Å; P457-K461 WeakPolarHBondContact CB-O 3.39Å; V458-K461 PolarHBondContact N-O 2.95Å; V458-K461 PolarHBondContact O-N 2.9Å; V458-K461 VanDerWaalsContact O-O 3.14Å; D459-K461 VanDerWaalsContact C-N 3.3Å; D459-K461 PolarHBondContact O-N 3.48Å; K461-D491 IonicContact NZ-OD1 3.96Å; K461-D491 IonicContact NZ-OD2 3.5Å; K461-D491 PolarHBondContact NZ-OD2 2.92Å; K461-D493 WeakPolarHBondContact CD-OD2 3.47Å; K461-D493 VanDerWaalsContact NZ-CG 3.33Å; K461-D493 IonicContact NZ-OD1 3.48Å; K461-D493 IonicContact NZ-OD2 3.91Å; K461-D493 PolarHBondContact NZ-OD2 3.27Å; K461-M495 HydrophobicContact CB-CB 4.15Å; K461-M495 HydrophobicContact CD-CB 4.08Å; K461-L496 CarbonylContact C-O 3.45Å; K461-L496 WeakPolarHBondContact CA-O 3.34Å; K461-D497 HydrophobicContact CG-CB 4.13Å
462I95.5Very high93.1Very high1 Ų163.8 Ų63.81%0.00536%0.36CS..EExtended strand (participates in β ladder)trans-103.7144.1168.963.8174.5000110.8F452 L455 P457 A467 M495 L496 F501F452-I462 HydrophobicContact CD2-CD1 4.13Å; F452-I462 HydrophobicContact CD2-CG1 4.36Å; F452-I462 HydrophobicContact CD2-CG2 4.01Å; F452-I462 HydrophobicContact CE2-CB 4.27Å; F452-I462 HydrophobicContact CE2-CD1 4.15Å; F452-I462 HydrophobicContact CE2-CG1 3.88Å; F452-I462 HydrophobicContact CE2-CG2 3.65Å; F452-I462 HydrophobicContact CZ-CG2 4.07Å; L455-I462 HydrophobicContact CB-CG2 4.05Å; L455-I462 HydrophobicContact CD1-CD1 3.83Å; P457-I462 HydrophobicContact CB-CG2 3.85Å; I462-A467 HydrophobicContact CD1-CB 3.69Å; I462-A467 HydrophobicContact CG1-CB 4.2Å; I462-M495 VanDerWaalsContact O-CA 3.3Å; I462-M495 WeakPolarHBondContact O-CA 3.32Å; I462-M495 WeakPolarHBondContact O-CB 3.19Å; I462-L496 HydrophobicContact CG1-CB 4.06Å; I462-L496 PolarHBondContact N-O 3.01Å; I462-L496 PolarHBondContact O-N 3.21Å; I462-F501 HydrophobicContact CD1-CD2 3.45Å; I462-F501 VanDerWaalsContact CD1-CD2 3.45Å; I462-F501 HydrophobicContact CD1-CE2 3.75Å; I462-F501 HydrophobicContact CD1-CG 4.22Å
463T94.9Very high93Very high65 Ų6572 Ų7240%0.39939%0.391SS..EExtended strand (participates in β ladder)trans-69.5150.8175.6650000111.4A465 N466 A467T463-A465 PolarHBondContact O-N 3.47Å; T463-A465 VanDerWaalsContact O-N 3.08Å; T463-N466 PolarHBondContact O-N 3.35Å; T463-N466 PolarHBondContact OG1-N 3.12Å; T463-A467 PolarHBondContact O-N 3.07Å
464G91.5Very high92.9Very high22 Ų2266.5 Ų66.523%0.22737%0.373CS..Hα-helixtrans-56.7-26174.300000114.4K468 G494G464-K468 WeakPolarHBondContact O-CB 3.38Å; G464-K468 PolarHBondContact O-N 3.34Å; G464-G494 PolarHBondContact N-O 3.31Å
465A92.1Very high92.8Very high61 Ų6170.6 Ų70.650%0.50438%0.382SS..Hα-helixtrans-67.7-40.3172.900000112.8T463 K469T463-A465 PolarHBondContact O-N 3.47Å; T463-A465 VanDerWaalsContact O-N 3.08Å; A465-K469 WeakPolarHBondContact O-CG 3.42Å; A465-K469 PolarHBondContact O-N 3.2Å
466N92.7Very high92.7Very high51 Ų5170.6 Ų70.627%0.27338%0.382SS..Hα-helixtrans-73.9-45.1177.6-75.5-4.2000111.3L455 T463 K468 K469 E470L455-N466 PolarHBondContact O-ND2 3.44Å; T463-N466 PolarHBondContact O-N 3.35Å; T463-N466 PolarHBondContact OG1-N 3.12Å; N466-K468 PolarHBondContact O-N 2.86Å; N466-K469 WeakPolarHBondContact O-CB 3.49Å; N466-K469 PolarHBondContact O-N 3.06Å; N466-E470 PolarHBondContact O-N 3.23Å
467A93.1Very high92.8Very high0 Ų069.9 Ų69.90%038%0.375CS..Hα-helixtrans-57.7-46.8174.600000111.8I462 T463 K469 E470 M471 W485 L496I462-A467 HydrophobicContact CD1-CB 3.69Å; I462-A467 HydrophobicContact CG1-CB 4.2Å; T463-A467 PolarHBondContact O-N 3.07Å; A467-K469 VanDerWaalsContact C-N 3.31Å; A467-K469 PolarHBondContact O-N 3.4Å; A467-E470 PolarHBondContact O-N 3.31Å; A467-E470 VanDerWaalsContact O-N 3.09Å; A467-M471 VanDerWaalsContact O-CG 3.26Å; A467-M471 WeakPolarHBondContact O-CG 3.47Å; A467-M471 PolarHBondContact O-N 3.27Å; A467-W485 HydrophobicContact CB-CE3 4.42Å; A467-W485 HydrophobicContact CB-CH2 4.35Å; A467-W485 HydrophobicContact CB-CZ3 3.54Å; A467-L496 HydrophobicContact CB-CD1 3.87Å
468K92.7Very high92.5Very high132 Ų13273.9 Ų73.957%0.57439%0.394SS*.Hα-helixtrans-57.7-41.2176.8-179.4178.7-179.3178.70112.6G464 N466 E470 M471 V472G464-K468 WeakPolarHBondContact O-CB 3.38Å; G464-K468 PolarHBondContact O-N 3.34Å; N466-K468 PolarHBondContact O-N 2.86Å; K468-E470 VanDerWaalsContact C-N 3.27Å; K468-E470 PolarHBondContact O-N 2.84Å; K468-M471 PolarHBondContact O-N 3.3Å; K468-V472 HydrophobicContact CG-CG2 4.29Å; K468-V472 WeakPolarHBondContact O-CB 3.42Å; K468-V472 WeakPolarHBondContact O-CG2 3.34Å; K468-V472 PolarHBondContact O-N 2.92Å; K468-V472 VanDerWaalsContact O-N 3.07Å
469K92.7Very high92.4Very high146 Ų14673.4 Ų73.464%0.63540%0.396SS*.Hα-helixtrans-60.3-39177.6-77.5171.8-176.6172.60111.6A465 N466 A467A465-K469 WeakPolarHBondContact O-CG 3.42Å; A465-K469 PolarHBondContact O-N 3.2Å; N466-K469 WeakPolarHBondContact O-CB 3.49Å; N466-K469 PolarHBondContact O-N 3.06Å; A467-K469 VanDerWaalsContact C-N 3.31Å; A467-K469 PolarHBondContact O-N 3.4Å
470E93.4Very high92.3Very high30 Ų3067 Ų6714%0.1436%0.362CS..Hα-helixtrans-73.3-50.4177.2-165.957.2-144.200111.4I451 L455 N466 A467 K468 V472 R473 F501I451-E470 HydrophobicContact CG2-CG 3.97Å; L455-E470 HydrophobicContact CD1-CB 3.99Å; L455-E470 HydrophobicContact CD1-CG 4.25Å; L455-E470 HydrophobicContact CD2-CB 4.4Å; N466-E470 PolarHBondContact O-N 3.23Å; A467-E470 PolarHBondContact O-N 3.31Å; A467-E470 VanDerWaalsContact O-N 3.09Å; K468-E470 VanDerWaalsContact C-N 3.27Å; K468-E470 PolarHBondContact O-N 2.84Å; E470-V472 PolarHBondContact O-N 3.4Å; E470-V472 VanDerWaalsContact O-N 3.16Å; E470-R473 VanDerWaalsContact O-CB 3.23Å; E470-R473 WeakPolarHBondContact O-CB 3.5Å; E470-R473 WeakPolarHBondContact O-CG 3.34Å; E470-R473 PolarHBondContact O-N 3.41Å; E470-R473 WeakPolarHBondContact OE1-CD 3.47Å; E470-R473 IonicContact OE1-CZ 3.36Å; E470-R473 IonicContact OE1-NH1 3.32Å; E470-R473 PolarHBondContact OE1-NH1 3.08Å; E470-R473 IonicContact OE2-CZ 3.85Å; E470-R473 IonicContact OE2-NE 2.73Å; E470-R473 PolarHBondContact OE2-NE 2.88Å; E470-R473 IonicContact OE2-NH1 3.17Å; E470-R473 PolarHBondContact OE2-NH1 3.12Å; E470-R473 IonicContact OE2-NH2 3.58Å; E470-F501 HydrophobicContact CG-CZ 4.15Å
471M93Very high92.4Very high7 Ų765.6 Ų65.63%0.03435%0.345CS..Hα-helixtrans-56.6-36.2-178.2-68.3175.478.500113A467 K468 R473 S474 L481 I484 W485 I508A467-M471 VanDerWaalsContact O-CG 3.26Å; A467-M471 WeakPolarHBondContact O-CG 3.47Å; A467-M471 PolarHBondContact O-N 3.27Å; K468-M471 PolarHBondContact O-N 3.3Å; M471-R473 PolarHBondContact O-N 3Å; M471-S474 WeakPolarHBondContact O-CB 3.34Å; M471-S474 PolarHBondContact O-N 3.01Å; M471-S474 PolarHBondContact O-OG 2.83Å; M471-L481 HydrophobicContact CB-CD2 4.15Å; M471-L481 HydrophobicContact CE-CD2 4.36Å; M471-I484 HydrophobicContact CE-CB 3.98Å; M471-I484 HydrophobicContact CE-CG2 3.66Å; M471-W485 HydrophobicContact SD-CE3 4.14Å; M471-I508 HydrophobicContact CB-CD1 4.15Å; M471-I508 HydrophobicContact CE-CD1 4.32Å; M471-I508 HydrophobicContact CG-CD1 3.98Å
472V94.2Very high92.3Very high66 Ų6665.5 Ų65.540%0.436%0.356SS..G310 helixtrans-64.2-22.6177.9169.30000112.9K468 E470 S474 K475 L481K468-V472 HydrophobicContact CG-CG2 4.29Å; K468-V472 WeakPolarHBondContact O-CB 3.42Å; K468-V472 WeakPolarHBondContact O-CG2 3.34Å; K468-V472 PolarHBondContact O-N 2.92Å; K468-V472 VanDerWaalsContact O-N 3.07Å; E470-V472 PolarHBondContact O-N 3.4Å; E470-V472 VanDerWaalsContact O-N 3.16Å; V472-S474 PolarHBondContact O-N 3.11Å; V472-K475 PolarHBondContact O-N 2.96Å; V472-L481 HydrophobicContact CB-CD1 4.45Å; V472-L481 HydrophobicContact CG2-CD1 3.87Å
473R92.9Very high92.2Very high175 Ų17568.6 Ų68.666%0.6637%0.37SS*.G310 helixtrans-65.7-21.7177-63.8175.4174-179.5-2.1113.2E470 M471 K475E470-R473 VanDerWaalsContact O-CB 3.23Å; E470-R473 WeakPolarHBondContact O-CB 3.5Å; E470-R473 WeakPolarHBondContact O-CG 3.34Å; E470-R473 PolarHBondContact O-N 3.41Å; E470-R473 WeakPolarHBondContact OE1-CD 3.47Å; E470-R473 IonicContact OE1-CZ 3.36Å; E470-R473 IonicContact OE1-NH1 3.32Å; E470-R473 PolarHBondContact OE1-NH1 3.08Å; E470-R473 IonicContact OE2-CZ 3.85Å; E470-R473 IonicContact OE2-NE 2.73Å; E470-R473 PolarHBondContact OE2-NE 2.88Å; E470-R473 IonicContact OE2-NH1 3.17Å; E470-R473 PolarHBondContact OE2-NH1 3.12Å; E470-R473 IonicContact OE2-NH2 3.58Å; M471-R473 PolarHBondContact O-N 3Å; R473-K475 PolarHBondContact O-N 2.93Å
474S91.6Very high92.2Very high27 Ų2765.5 Ų65.519%0.18935%0.351CS..G310 helixtrans-63.6-14.5172.168.10000113.5M471 V472 L476M471-S474 WeakPolarHBondContact O-CB 3.34Å; M471-S474 PolarHBondContact O-N 3.01Å; M471-S474 PolarHBondContact O-OG 2.83Å; V472-S474 PolarHBondContact O-N 3.11Å; S474-L476 PolarHBondContact O-N 3.41Å; S474-L476 PolarHBondContact OG-N 3.37Å
475K92.6Very high92.4Very high193 Ų19367.2 Ų67.284%0.83935%0.35SS*.  trans6216.5-175.7-53.7178.1-178.61740114.4V472 R473V472-K475 PolarHBondContact O-N 2.96Å; R473-K475 PolarHBondContact O-N 2.93Å
476L90.4Very high92.5Very high27 Ų2772.7 Ų72.714%0.14136%0.363CS..  trans-71.4149.9171.6-68.3174.3000111.4S474 V480 L481 I484 I508 K511 L512S474-L476 PolarHBondContact O-N 3.41Å; S474-L476 PolarHBondContact OG-N 3.37Å; L476-V480 HydrophobicContact CB-CG1 4.39Å; L476-V480 HydrophobicContact CD1-CG1 4.24Å; L476-L481 HydrophobicContact CB-CD2 3.87Å; L476-L481 HydrophobicContact CB-CG 4.03Å; L476-L481 HydrophobicContact CD1-CD2 4.17Å; L476-I484 HydrophobicContact CD1-CD1 4.2Å; L476-I508 HydrophobicContact CD1-CB 4.47Å; L476-I508 HydrophobicContact CD1-CG1 4.34Å; L476-I508 HydrophobicContact CD1-CG2 4.08Å; L476-K511 HydrophobicContact CD1-CB 4.13Å; L476-K511 HydrophobicContact CD1-CG 4.21Å; L476-K511 HydrophobicContact CD2-CG 4.04Å; L476-L512 HydrophobicContact CD2-CD2 3.98Å; L476-L512 HydrophobicContact CG-CD2 4.21Å
477P92.2Very high92.6Very high76 Ų7671 Ų7149%0.49435%0.354SS..  trans-57.5144.9174.8-24.433.8000112.6S479 V480 L481P477-S479 PolarHBondContact O-N 3.43Å; P477-S479 VanDerWaalsContact O-N 3.12Å; P477-V480 HydrophobicContact CB-CG2 4.22Å; P477-V480 HydrophobicContact CG-CG2 4.28Å; P477-V480 WeakPolarHBondContact O-CA 3.36Å; P477-V480 WeakPolarHBondContact O-CB 3.3Å; P477-V480 PolarHBondContact O-N 3.47Å; P477-L481 PolarHBondContact O-N 3.07Å
478N87.6Confident92.7Very high117 Ų11771 Ų7163%0.62635%0.354SS*.Hα-helixtrans-57-31.2179.6-78.5-32.6000113.6V480 G482N478-V480 VanDerWaalsContact C-N 3.32Å; N478-G482 PolarHBondContact O-N 3.16Å
479S89.3Confident92.8Very high97 Ų9765.5 Ų65.568%0.67833%0.331SS*.Hα-helixtrans-63.3-38.3174.751.40000112.4P477 K483P477-S479 PolarHBondContact O-N 3.43Å; P477-S479 VanDerWaalsContact O-N 3.12Å; S479-K483 PolarHBondContact O-N 3.25Å
480V89.8Confident92.8Very high27 Ų2760.1 Ų60.116%0.16431%0.308CS..Hα-helixtrans-72.7-47.8177.7175.90000110.2L476 P477 N478 G482 K483 I484 K511 L517L476-V480 HydrophobicContact CB-CG1 4.39Å; L476-V480 HydrophobicContact CD1-CG1 4.24Å; P477-V480 HydrophobicContact CB-CG2 4.22Å; P477-V480 HydrophobicContact CG-CG2 4.28Å; P477-V480 WeakPolarHBondContact O-CA 3.36Å; P477-V480 WeakPolarHBondContact O-CB 3.3Å; P477-V480 PolarHBondContact O-N 3.47Å; N478-V480 VanDerWaalsContact C-N 3.32Å; V480-G482 VanDerWaalsContact C-N 3.27Å; V480-G482 PolarHBondContact O-N 2.62Å; V480-K483 WeakPolarHBondContact O-CA 3.09Å; V480-K483 WeakPolarHBondContact O-CB 3.21Å; V480-K483 PolarHBondContact O-N 2.87Å; V480-I484 HydrophobicContact CG1-CD1 4.24Å; V480-I484 WeakPolarHBondContact O-CG1 3.37Å; V480-I484 PolarHBondContact O-N 3.05Å; V480-K511 HydrophobicContact CG1-CD 4.49Å; V480-K511 HydrophobicContact CG1-CG 3.75Å; V480-L517 HydrophobicContact CG1-CD1 3.79Å
481L93.5Very high92.7Very high13 Ų1361.5 Ų61.57%0.06832%0.317CS..Hα-helixtrans-60.3-37177.2-66.2179.7000112.3M471 V472 L476 P477 I484 W485 I508M471-L481 HydrophobicContact CB-CD2 4.15Å; M471-L481 HydrophobicContact CE-CD2 4.36Å; V472-L481 HydrophobicContact CB-CD1 4.45Å; V472-L481 HydrophobicContact CG2-CD1 3.87Å; L476-L481 HydrophobicContact CB-CD2 3.87Å; L476-L481 HydrophobicContact CB-CG 4.03Å; L476-L481 HydrophobicContact CD1-CD2 4.17Å; P477-L481 PolarHBondContact O-N 3.07Å; L481-I484 HydrophobicContact CD2-CD1 4.43Å; L481-I484 PolarHBondContact O-N 2.63Å; L481-W485 PolarHBondContact O-N 3.22Å; L481-I508 HydrophobicContact CD2-CD1 4.36Å; L481-I508 HydrophobicContact CD2-CG1 4.37Å
482G92.1Very high92.6Very high42 Ų4269.6 Ų69.643%0.43335%0.352SS..Hα-helixtrans-64.3-37.117300000113.2N478 V480 K486N478-G482 PolarHBondContact O-N 3.16Å; V480-G482 VanDerWaalsContact C-N 3.27Å; V480-G482 PolarHBondContact O-N 2.62Å; G482-K486 PolarHBondContact O-N 2.71Å; G482-K486 VanDerWaalsContact O-N 3.14Å
483K93.8Very high92.5Very high66 Ų6669.5 Ų69.529%0.28735%0.349SS..Hα-helixtrans-65.5-43.8173-171.6177.3-176.7-175.70111.1S479 V480 K486 L487 L517 P518 N519S479-K483 PolarHBondContact O-N 3.25Å; V480-K483 WeakPolarHBondContact O-CA 3.09Å; V480-K483 WeakPolarHBondContact O-CB 3.21Å; V480-K483 PolarHBondContact O-N 2.87Å; K483-K486 PolarHBondContact O-N 2.83Å; K483-L487 HydrophobicContact CG-CD1 4.29Å; K483-L487 WeakPolarHBondContact O-CG 3.48Å; K483-L487 PolarHBondContact O-N 3.48Å; K483-L487 VanDerWaalsContact O-N 3.14Å; K483-L517 HydrophobicContact CB-CD1 4.43Å; K483-L517 HydrophobicContact CD-CB 4.06Å; K483-L517 HydrophobicContact CD-CD1 4.27Å; K483-L517 HydrophobicContact CG-CD1 4.44Å; K483-L517 PolarHBondContact NZ-O 3.07Å; K483-P518 WeakPolarHBondContact CE-O 3.34Å; K483-P518 PolarHBondContact NZ-O 3.32Å; K483-N519 PolarHBondContact NZ-OD1 3.13Å
484I95.8Very high92.5Very high0 Ų062.9 Ų62.90%034%0.335CS..Hα-helixtrans-61.3-47.1176.9-64.8174.5000110.8M471 L476 V480 L481 K486 L487 A488 A504 L507 I508 L517M471-I484 HydrophobicContact CE-CB 3.98Å; M471-I484 HydrophobicContact CE-CG2 3.66Å; L476-I484 HydrophobicContact CD1-CD1 4.2Å; V480-I484 HydrophobicContact CG1-CD1 4.24Å; V480-I484 WeakPolarHBondContact O-CG1 3.37Å; V480-I484 PolarHBondContact O-N 3.05Å; L481-I484 HydrophobicContact CD2-CD1 4.43Å; L481-I484 PolarHBondContact O-N 2.63Å; I484-K486 VanDerWaalsContact C-N 3.31Å; I484-K486 PolarHBondContact O-N 2.87Å; I484-L487 PolarHBondContact O-N 3.13Å; I484-L487 VanDerWaalsContact O-N 3.09Å; I484-A488 WeakPolarHBondContact O-CB 3.49Å; I484-A488 PolarHBondContact O-N 3.4Å; I484-A504 HydrophobicContact CG2-CB 4.21Å; I484-L507 HydrophobicContact CD1-CB 4.48Å; I484-L507 HydrophobicContact CG1-CB 4.23Å; I484-L507 HydrophobicContact CG2-CB 3.88Å; I484-L507 HydrophobicContact CG2-CD1 4.25Å; I484-I508 HydrophobicContact CD1-CB 4.44Å; I484-I508 HydrophobicContact CD1-CG1 3.62Å; I484-I508 HydrophobicContact CG2-CG1 4.39Å; I484-L517 HydrophobicContact CD1-CD1 4Å; I484-L517 HydrophobicContact CD1-CD2 4.44Å; I484-L517 HydrophobicContact CG1-CD1 3.44Å; I484-L517 VanDerWaalsContact CG1-CD1 3.44Å; I484-L517 HydrophobicContact CG1-CD2 4.08Å; I484-L517 HydrophobicContact CG1-CG 4.43Å
485W95.6Very high92.7Very high58 Ų5865.2 Ų65.222%0.2234%0.344CS..Hα-helixtrans-52.8-50.5175.6176.9-82.7000111.4A467 M471 L481 L487 A488 D489 L496A467-W485 HydrophobicContact CB-CE3 4.42Å; A467-W485 HydrophobicContact CB-CH2 4.35Å; A467-W485 HydrophobicContact CB-CZ3 3.54Å; M471-W485 HydrophobicContact SD-CE3 4.14Å; L481-W485 PolarHBondContact O-N 3.22Å; W485-L487 PolarHBondContact O-N 3.27Å; W485-A488 PolarHBondContact O-N 3.22Å; W485-A488 VanDerWaalsContact O-N 3.13Å; W485-D489 HydrophobicContact CZ2-CB 4.49Å; W485-D489 PolarHBondContact NE1-OD2 3.17Å; W485-D489 WeakPolarHBondContact O-CB 3.31Å; W485-D489 PolarHBondContact O-N 2.94Å; W485-L496 HydrophobicContact CE3-CD1 4.09Å; W485-L496 HydrophobicContact CE3-CG 4.43Å; W485-L496 HydrophobicContact CH2-CD1 4.24Å; W485-L496 HydrophobicContact CH2-CD2 4.19Å; W485-L496 HydrophobicContact CH2-CG 3.8Å; W485-L496 HydrophobicContact CZ3-CD1 3.55Å; W485-L496 HydrophobicContact CZ3-CD2 4.13Å; W485-L496 HydrophobicContact CZ3-CG 3.64Å
486K94.3Very high92.9Very high176 Ų17656 Ų5677%0.76530%0.304SS*.Hα-helixtrans-62.1-29.6-179-170.1-175.8175.5-169.90113.2G482 K483 I484G482-K486 PolarHBondContact O-N 2.71Å; G482-K486 VanDerWaalsContact O-N 3.14Å; K483-K486 PolarHBondContact O-N 2.83Å; I484-K486 VanDerWaalsContact C-N 3.31Å; I484-K486 PolarHBondContact O-N 2.87Å
487L93.4Very high93.2Very high16 Ų1655.6 Ų55.68%0.08430%0.302CS..Hα-helixtrans-81.2-30.7177.1-70.3168.5000112.3K483 I484 W485 L507 P518 L521K483-L487 HydrophobicContact CG-CD1 4.29Å; K483-L487 WeakPolarHBondContact O-CG 3.48Å; K483-L487 PolarHBondContact O-N 3.48Å; K483-L487 VanDerWaalsContact O-N 3.14Å; I484-L487 PolarHBondContact O-N 3.13Å; I484-L487 VanDerWaalsContact O-N 3.09Å; W485-L487 PolarHBondContact O-N 3.27Å; L487-L507 HydrophobicContact CB-CD1 3.79Å; L487-L507 HydrophobicContact CD1-CD1 4.17Å; L487-P518 HydrophobicContact CD1-CG 4.23Å; L487-L521 HydrophobicContact CD2-CB 4.19Å
488A95.5Very high93.4Very high0 Ų054.3 Ų54.30%029%0.291CS..Hα-helixtrans-89-33.3-175.500000114I484 W485 I490 L496 E500 L503 A504I484-A488 WeakPolarHBondContact O-CB 3.49Å; I484-A488 PolarHBondContact O-N 3.4Å; W485-A488 PolarHBondContact O-N 3.22Å; W485-A488 VanDerWaalsContact O-N 3.13Å; A488-I490 VanDerWaalsContact C-N 3.35Å; A488-I490 PolarHBondContact O-N 3.49Å; A488-L496 HydrophobicContact CB-CD2 4.42Å; A488-E500 WeakPolarHBondContact O-CB 3.36Å; A488-E500 VanDerWaalsContact O-CG 3.26Å; A488-E500 WeakPolarHBondContact O-CG 3.04Å; A488-L503 HydrophobicContact CB-CG 4.5Å; A488-A504 HydrophobicContact CB-CB 3.72Å
489D95.3Very high93.7Very high16 Ų1650.3 Ų50.39%0.08627%0.268CS..  trans-77.680.7176.4-178.25.9000109.9W485 K492 D493 G494 L496W485-D489 HydrophobicContact CZ2-CB 4.49Å; W485-D489 PolarHBondContact NE1-OD2 3.17Å; W485-D489 WeakPolarHBondContact O-CB 3.31Å; W485-D489 PolarHBondContact O-N 2.94Å; D489-K492 WeakPolarHBondContact OD1-CA 3.48Å; D489-K492 PolarHBondContact OD1-N 2.82Å; D489-D493 PolarHBondContact OD1-N 3.48Å; D489-G494 PolarHBondContact OD2-N 3.41Å; D489-L496 HydrophobicContact CB-CD2 4.03Å
490I92.8Very high94.1Very high33 Ų3345.7 Ų45.717%0.16924%0.236CC..SBendtrans-76.7-44.1-168.1-67.8166.9000111.1A488 K492 E500 L503 L521 L526 P527 K530A488-I490 VanDerWaalsContact C-N 3.35Å; A488-I490 PolarHBondContact O-N 3.49Å; I490-K492 PolarHBondContact O-N 3.05Å; I490-E500 PolarHBondContact N-OE1 3.43Å; I490-L503 HydrophobicContact CD1-CD2 4.07Å; I490-L521 HydrophobicContact CD1-CD2 4.08Å; I490-L521 HydrophobicContact CG1-CD2 4.33Å; I490-L526 HydrophobicContact CD1-CD2 3.99Å; I490-L526 HydrophobicContact CG2-CD2 4.44Å; I490-P527 HydrophobicContact CD1-CG 3.61Å; I490-K530 HydrophobicContact CD1-CB 4.37Å; I490-K530 HydrophobicContact CG2-CB 4.08Å
491D90.4Very high94.4Very high60 Ų6044.4 Ų44.432%0.32123%0.228SC..SBendtrans-80.1-5.8177.566.520.1000113.3K461 D493 E500 K530K461-D491 IonicContact NZ-OD1 3.96Å; K461-D491 IonicContact NZ-OD2 3.5Å; K461-D491 PolarHBondContact NZ-OD2 2.92Å; D491-D493 PolarHBondContact O-N 2.89Å; D491-D493 WeakPolarHBondContact OD1-CB 3.48Å; D491-D493 VanDerWaalsContact OD1-CG 3.24Å; D491-D493 PolarHBondContact OD1-N 3.45Å; D491-E500 PolarHBondContact N-OE1 3.49Å; D491-K530 IonicContact OD2-NZ 3.78Å; D491-K530 PolarHBondContact OD2-NZ 3.2Å
492K92.2Very high94.6Very high176 Ų17643.8 Ų43.877%0.76523%0.225SC*.  trans59.931.5173.9-58.5177.2-175.2166.20112.8D489 I490 G494D489-K492 WeakPolarHBondContact OD1-CA 3.48Å; D489-K492 PolarHBondContact OD1-N 2.82Å; I490-K492 PolarHBondContact O-N 3.05Å; K492-G494 VanDerWaalsContact C-N 3.3Å
493D91.9Very high94.8Very high65 Ų6541.8 Ų41.835%0.34821%0.205SC..SBendtrans-86.7-3.4179.584-12.4000113.2K461 D489 D491 M495K461-D493 WeakPolarHBondContact CD-OD2 3.47Å; K461-D493 VanDerWaalsContact NZ-CG 3.33Å; K461-D493 IonicContact NZ-OD1 3.48Å; K461-D493 IonicContact NZ-OD2 3.91Å; K461-D493 PolarHBondContact NZ-OD2 3.27Å; D489-D493 PolarHBondContact OD1-N 3.48Å; D491-D493 PolarHBondContact O-N 2.89Å; D491-D493 WeakPolarHBondContact OD1-CB 3.48Å; D491-D493 VanDerWaalsContact OD1-CG 3.24Å; D491-D493 PolarHBondContact OD1-N 3.45Å; D493-M495 VanDerWaalsContact C-N 3.26Å; D493-M495 PolarHBondContact O-N 2.93Å; D493-M495 WeakPolarHBondContact OD1-CA 3.32Å; D493-M495 WeakPolarHBondContact OD1-CB 3.28Å; D493-M495 PolarHBondContact OD1-N 3.43Å
494G93Very high94.9Very high35 Ų3538.7 Ų38.736%0.36119%0.191SC..SBendtrans78.510.4178.600000113.8G464 D489 K492G464-G494 PolarHBondContact N-O 3.31Å; D489-G494 PolarHBondContact OD2-N 3.41Å; K492-G494 VanDerWaalsContact C-N 3.3Å
495M95.7Very high94.9Very high76 Ų7639.8 Ų39.837%0.37420%0.197SC..EExtended strand (participates in β ladder)trans-123.3169.4173.8-61.5-174.6-92.100108.8K461 I462 D493K461-M495 HydrophobicContact CB-CB 4.15Å; K461-M495 HydrophobicContact CD-CB 4.08Å; I462-M495 VanDerWaalsContact O-CA 3.3Å; I462-M495 WeakPolarHBondContact O-CA 3.32Å; I462-M495 WeakPolarHBondContact O-CB 3.19Å; D493-M495 VanDerWaalsContact C-N 3.26Å; D493-M495 PolarHBondContact O-N 2.93Å; D493-M495 WeakPolarHBondContact OD1-CA 3.32Å; D493-M495 WeakPolarHBondContact OD1-CB 3.28Å; D493-M495 PolarHBondContact OD1-N 3.43Å
496L96.5Very high94.9Very high0 Ų037.1 Ų37.10%019%0.187CC..EExtended strand (participates in β ladder)trans-125.7128.4172.5-59.2176000108.7K461 I462 A467 W485 A488 D489 E500 F501 A504K461-L496 CarbonylContact C-O 3.45Å; K461-L496 WeakPolarHBondContact CA-O 3.34Å; I462-L496 HydrophobicContact CG1-CB 4.06Å; I462-L496 PolarHBondContact N-O 3.01Å; I462-L496 PolarHBondContact O-N 3.21Å; A467-L496 HydrophobicContact CB-CD1 3.87Å; W485-L496 HydrophobicContact CE3-CD1 4.09Å; W485-L496 HydrophobicContact CE3-CG 4.43Å; W485-L496 HydrophobicContact CH2-CD1 4.24Å; W485-L496 HydrophobicContact CH2-CD2 4.19Å; W485-L496 HydrophobicContact CH2-CG 3.8Å; W485-L496 HydrophobicContact CZ3-CD1 3.55Å; W485-L496 HydrophobicContact CZ3-CD2 4.13Å; W485-L496 HydrophobicContact CZ3-CG 3.64Å; A488-L496 HydrophobicContact CB-CD2 4.42Å; D489-L496 HydrophobicContact CB-CD2 4.03Å; L496-E500 HydrophobicContact CB-CB 4.1Å; L496-E500 HydrophobicContact CD2-CB 3.84Å; L496-F501 HydrophobicContact CB-CB 4.38Å; L496-F501 HydrophobicContact CD1-CD2 4.34Å; L496-A504 HydrophobicContact CD1-CB 4.44Å
497D96.3Very high94.9Very high18 Ų1828.8 Ų28.810%0.09615%0.151CC..  trans-76.5-178.1162.163.140000111.7F452 K461 E499 E500 F501 K530F452-D497 WeakPolarHBondContact CE2-O 3.42Å; K461-D497 HydrophobicContact CG-CB 4.13Å; D497-E499 VanDerWaalsContact C-N 3.35Å; D497-E499 PolarHBondContact O-N 2.51Å; D497-E499 PolarHBondContact OD1-N 2.96Å; D497-E499 VanDerWaalsContact OD1-N 3.13Å; D497-E500 PolarHBondContact N-OE2 3.29Å; D497-E500 PolarHBondContact O-N 2.91Å; D497-E500 WeakPolarHBondContact OD1-CB 3.36Å; D497-E500 VanDerWaalsContact OD1-CG 3.31Å; D497-E500 WeakPolarHBondContact OD1-CG 3.45Å; D497-E500 PolarHBondContact OD1-N 2.95Å; D497-F501 VanDerWaalsContact O-CB 3.24Å; D497-F501 WeakPolarHBondContact O-CB 3.46Å; D497-F501 PolarHBondContact O-N 3.26Å; D497-K530 WeakPolarHBondContact OD2-CE 3.49Å; D497-K530 IonicContact OD2-NZ 3.98Å; D497-K530 PolarHBondContact OD2-NZ 2.81Å
498D95.8Very high95Very high49 Ų4928.5 Ų28.526%0.26215%0.149SC..Hα-helixtrans-65.9-35.4-176.264.1-52.5000112.6K445 F452 A502K445-D498 IonicContact NZ-OD2 2.76Å; K445-D498 PolarHBondContact NZ-OD2 3.39Å; F452-D498 HydrophobicContact CD1-CB 4Å; F452-D498 HydrophobicContact CE1-CB 3.87Å; F452-D498 HydrophobicContact CG-CB 4.42Å; F452-D498 HydrophobicContact CZ-CB 4.18Å; D498-A502 WeakPolarHBondContact O-CB 3.45Å; D498-A502 PolarHBondContact O-N 3.13Å
499E95.9Very high94.9Very high33 Ų3331.5 Ų31.515%0.15416%0.162CC..Hα-helixtrans-73.8-41.8176.4-61.7-169.6138.800111.9W439 D497 F501 A502 L503 P527 S529W439-E499 HydrophobicContact CH2-CB 4.04Å; W439-E499 WeakPolarHBondContact CH2-O 3.39Å; W439-E499 HydrophobicContact CZ3-CB 4.28Å; W439-E499 HydrophobicContact CZ3-CG 4.37Å; D497-E499 VanDerWaalsContact C-N 3.35Å; D497-E499 PolarHBondContact O-N 2.51Å; D497-E499 PolarHBondContact OD1-N 2.96Å; D497-E499 VanDerWaalsContact OD1-N 3.13Å; E499-F501 VanDerWaalsContact C-N 3.32Å; E499-F501 PolarHBondContact O-N 2.79Å; E499-A502 PolarHBondContact O-N 3.36Å; E499-L503 WeakPolarHBondContact O-CB 3.46Å; E499-L503 PolarHBondContact O-N 3.28Å; E499-P527 HydrophobicContact CB-CB 3.77Å; E499-P527 HydrophobicContact CB-CG 4.12Å; E499-P527 HydrophobicContact CG-CB 4.44Å; E499-P527 VanDerWaalsContact OE2-CB 3.28Å; E499-P527 WeakPolarHBondContact OE2-CB 3.42Å; E499-S529 WeakPolarHBondContact OE2-CB 3.03Å; E499-S529 PolarHBondContact OE2-OG 2.85Å
500E96.5Very high94.6Very high0 Ų030.8 Ų30.80%016%0.158CC..Hα-helixtrans-65.2-37.3176.1-68.6172.8153.600111.5A488 I490 D491 L496 D497 L503 A504 K530A488-E500 WeakPolarHBondContact O-CB 3.36Å; A488-E500 VanDerWaalsContact O-CG 3.26Å; A488-E500 WeakPolarHBondContact O-CG 3.04Å; I490-E500 PolarHBondContact N-OE1 3.43Å; D491-E500 PolarHBondContact N-OE1 3.49Å; L496-E500 HydrophobicContact CB-CB 4.1Å; L496-E500 HydrophobicContact CD2-CB 3.84Å; D497-E500 PolarHBondContact N-OE2 3.29Å; D497-E500 PolarHBondContact O-N 2.91Å; D497-E500 WeakPolarHBondContact OD1-CB 3.36Å; D497-E500 VanDerWaalsContact OD1-CG 3.31Å; D497-E500 WeakPolarHBondContact OD1-CG 3.45Å; D497-E500 PolarHBondContact OD1-N 2.95Å; E500-L503 PolarHBondContact O-N 3.06Å; E500-A504 WeakPolarHBondContact O-CB 3.26Å; E500-A504 PolarHBondContact O-N 2.99Å; E500-K530 VanDerWaalsContact CD-NZ 3.3Å; E500-K530 IonicContact OE1-NZ 3.15Å; E500-K530 PolarHBondContact OE1-NZ 3.33Å; E500-K530 IonicContact OE2-NZ 2.55Å
501F96.8Very high94.4Very high1 Ų131.1 Ų31.10%0.00416%0.158CC..Hα-helixtrans-67.9-41.5173.5-175.2-102.9000112.5I451 F452 L455 I462 E470 L496 D497 E499 L503 A504 N505I451-F501 HydrophobicContact CB-CE1 4.11Å; I451-F501 HydrophobicContact CB-CZ 4.47Å; I451-F501 HydrophobicContact CG2-CE1 4Å; I451-F501 HydrophobicContact CG2-CZ 3.84Å; F452-F501 HydrophobicContact CB-CD1 3.66Å; F452-F501 HydrophobicContact CB-CE1 3.93Å; F452-F501 HydrophobicContact CB-CG 4.42Å; F452-F501 HydrophobicContact CD2-CB 3.58Å; F452-F501 AromaticContact CD2-CD1 3.75Å; F452-F501 HydrophobicContact CD2-CD1 3.75Å; F452-F501 HydrophobicContact CD2-CD2 4.32Å; F452-F501 HydrophobicContact CD2-CE1 4.49Å; F452-F501 AromaticContact CD2-CG 3.63Å; F452-F501 HydrophobicContact CD2-CG 3.63Å; F452-F501 HydrophobicContact CE2-CB 3.99Å; F452-F501 HydrophobicContact CE2-CG 4.42Å; F452-F501 HydrophobicContact CG-CD1 4.18Å; F452-F501 HydrophobicContact CG-CG 4.49Å; L455-F501 HydrophobicContact CD1-CE2 3.83Å; L455-F501 HydrophobicContact CD1-CZ 3.8Å; I462-F501 HydrophobicContact CD1-CD2 3.45Å; I462-F501 VanDerWaalsContact CD1-CD2 3.45Å; I462-F501 HydrophobicContact CD1-CE2 3.75Å; I462-F501 HydrophobicContact CD1-CG 4.22Å; E470-F501 HydrophobicContact CG-CZ 4.15Å; L496-F501 HydrophobicContact CB-CB 4.38Å; L496-F501 HydrophobicContact CD1-CD2 4.34Å; D497-F501 VanDerWaalsContact O-CB 3.24Å; D497-F501 WeakPolarHBondContact O-CB 3.46Å; D497-F501 PolarHBondContact O-N 3.26Å; E499-F501 VanDerWaalsContact C-N 3.32Å; E499-F501 PolarHBondContact O-N 2.79Å; F501-L503 VanDerWaalsContact C-N 3.32Å; F501-L503 PolarHBondContact O-N 3.2Å; F501-A504 PolarHBondContact O-N 3.25Å; F501-N505 VanDerWaalsContact CD1-ND2 3.34Å; F501-N505 WeakPolarHBondContact CD1-ND2 3.18Å; F501-N505 WeakPolarHBondContact CE1-ND2 3.47Å; F501-N505 VanDerWaalsContact CZ-ND2 3.25Å; F501-N505 WeakPolarHBondContact CZ-ND2 3.36Å; F501-N505 PolarHBondContact O-N 2.65Å; F501-N505 PolarHBondContact O-ND2 3.17Å
502A96.4Very high94.3Very high0 Ų033.3 Ų33.30%017%0.17CC..Hα-helixtrans-60.8-42.9174.100000111.3W439 V441 K445 Y448 D498 E499 A504 N505 H506W439-A502 HydrophobicContact CH2-CB 4.3Å; V441-A502 HydrophobicContact CG1-CB 3.83Å; K445-A502 HydrophobicContact CG-CB 4.08Å; Y448-A502 HydrophobicContact CD2-CB 3.87Å; Y448-A502 HydrophobicContact CG-CB 4.43Å; D498-A502 WeakPolarHBondContact O-CB 3.45Å; D498-A502 PolarHBondContact O-N 3.13Å; E499-A502 PolarHBondContact O-N 3.36Å; A502-A504 PolarHBondContact O-N 3.19Å; A502-N505 PolarHBondContact O-N 3.32Å; A502-H506 PolarHBondContact O-N 3.44Å
503L96.2Very high94Very high0 Ų029.9 Ų29.90%016%0.156CC..Hα-helixtrans-60.7-44.5174.3178.759000111.9W439 V441 A488 I490 E499 E500 F501 N505 H506 L507 L521 L525 P527W439-L503 HydrophobicContact CZ2-CB 4.18Å; V441-L503 HydrophobicContact CG2-CD1 4.38Å; A488-L503 HydrophobicContact CB-CG 4.5Å; I490-L503 HydrophobicContact CD1-CD2 4.07Å; E499-L503 WeakPolarHBondContact O-CB 3.46Å; E499-L503 PolarHBondContact O-N 3.28Å; E500-L503 PolarHBondContact O-N 3.06Å; F501-L503 VanDerWaalsContact C-N 3.32Å; F501-L503 PolarHBondContact O-N 3.2Å; L503-N505 VanDerWaalsContact C-N 3.32Å; L503-N505 PolarHBondContact O-N 2.87Å; L503-H506 PolarHBondContact O-N 3.41Å; L503-L507 HydrophobicContact CD1-CD1 4.39Å; L503-L507 HydrophobicContact CD1-CG 4.3Å; L503-L507 HydrophobicContact CG-CD1 4.34Å; L503-L507 WeakPolarHBondContact O-CG 3.4Å; L503-L507 PolarHBondContact O-N 3Å; L503-L521 HydrophobicContact CD1-CD1 4.15Å; L503-L521 HydrophobicContact CD2-CD1 4.04Å; L503-L521 HydrophobicContact CD2-CD2 3.62Å; L503-L521 HydrophobicContact CD2-CG 4.5Å; L503-L525 HydrophobicContact CD1-CB 4.23Å; L503-P527 HydrophobicContact CD2-CG 4.38Å
504A96.7Very high93.3Very high0 Ų029.7 Ų29.70%017%0.17CC..Hα-helixtrans-59.3-43177.600000111.9I484 A488 L496 E500 F501 A502 L507 I508I484-A504 HydrophobicContact CG2-CB 4.21Å; A488-A504 HydrophobicContact CB-CB 3.72Å; L496-A504 HydrophobicContact CD1-CB 4.44Å; E500-A504 WeakPolarHBondContact O-CB 3.26Å; E500-A504 PolarHBondContact O-N 2.99Å; F501-A504 PolarHBondContact O-N 3.25Å; A502-A504 PolarHBondContact O-N 3.19Å; A504-L507 PolarHBondContact O-N 2.94Å; A504-I508 WeakPolarHBondContact O-CG1 3.48Å; A504-I508 PolarHBondContact O-N 3.09Å
505N96.4Very high92.9Very high24 Ų2431 Ų3113%0.12817%0.167CC..Hα-helixtrans-69.9-37.1178.2-76.5-78.3000112.7Y448 F501 A502 L503 I508 K509Y448-N505 HydrophobicContact CD1-CB 3.5Å; Y448-N505 HydrophobicContact CD2-CB 4.25Å; Y448-N505 HydrophobicContact CE1-CB 3.47Å; Y448-N505 VanDerWaalsContact CE1-CB 3.47Å; Y448-N505 HydrophobicContact CE2-CB 4.2Å; Y448-N505 HydrophobicContact CG-CB 3.91Å; F501-N505 VanDerWaalsContact CD1-ND2 3.34Å; F501-N505 WeakPolarHBondContact CD1-ND2 3.18Å; F501-N505 WeakPolarHBondContact CE1-ND2 3.47Å; F501-N505 VanDerWaalsContact CZ-ND2 3.25Å; F501-N505 WeakPolarHBondContact CZ-ND2 3.36Å; F501-N505 PolarHBondContact O-N 2.65Å; F501-N505 PolarHBondContact O-ND2 3.17Å; A502-N505 PolarHBondContact O-N 3.32Å; L503-N505 VanDerWaalsContact C-N 3.32Å; L503-N505 PolarHBondContact O-N 2.87Å; N505-I508 WeakPolarHBondContact O-CB 3.35Å; N505-I508 PolarHBondContact O-N 2.93Å; N505-K509 PolarHBondContact O-N 3.25Å
506H94.5Very high92.3Very high2 Ų234.1 Ų34.11%0.00918%0.18CC..Hα-helixtrans-61.5-44.9172.5179.178.2000111.6E432 V441 Y448 A502 L503 I508 K509 V510E432-H506 IonicContact OE2-CE1 3.71Å; E432-H506 PolarHBondContact OE2-CE1 3.01Å; V441-H506 HydrophobicContact CG1-CB 4.02Å; V441-H506 HydrophobicContact CG2-CB 3.93Å; Y448-H506 HydrophobicContact CE2-CB 4.38Å; A502-H506 PolarHBondContact O-N 3.44Å; L503-H506 PolarHBondContact O-N 3.41Å; H506-I508 VanDerWaalsContact C-N 3.31Å; H506-I508 PolarHBondContact O-N 2.85Å; H506-K509 WeakPolarHBondContact O-CB 3.26Å; H506-K509 PolarHBondContact O-N 3.49Å; H506-K509 VanDerWaalsContact O-N 3.13Å; H506-V510 WeakPolarHBondContact O-CG2 3.32Å; H506-V510 PolarHBondContact O-N 3.31Å
507L94.9Very high91.8Very high0 Ų034.7 Ų34.70%018%0.183CC..Hα-helixtrans-65.2-32.7175.5-69175.7000113I484 L487 L503 A504 K511 L517 L525I484-L507 HydrophobicContact CD1-CB 4.48Å; I484-L507 HydrophobicContact CG1-CB 4.23Å; I484-L507 HydrophobicContact CG2-CB 3.88Å; I484-L507 HydrophobicContact CG2-CD1 4.25Å; L487-L507 HydrophobicContact CB-CD1 3.79Å; L487-L507 HydrophobicContact CD1-CD1 4.17Å; L503-L507 HydrophobicContact CD1-CD1 4.39Å; L503-L507 HydrophobicContact CD1-CG 4.3Å; L503-L507 HydrophobicContact CG-CD1 4.34Å; L503-L507 WeakPolarHBondContact O-CG 3.4Å; L503-L507 PolarHBondContact O-N 3Å; A504-L507 PolarHBondContact O-N 2.94Å; L507-K511 PolarHBondContact O-N 2.73Å; L507-K511 VanDerWaalsContact O-N 3.08Å; L507-L517 HydrophobicContact CB-CD2 4.09Å; L507-L517 HydrophobicContact CD2-CD2 4.2Å; L507-L525 HydrophobicContact CD2-CD1 4.29Å
508I95.1Very high91.2Very high11 Ų1135 Ų356%0.05619%0.187CC..Hα-helixtrans-63.2-47.2170.9-73169.6000110.1M471 L476 L481 I484 A504 N505 H506 K511 L512M471-I508 HydrophobicContact CB-CD1 4.15Å; M471-I508 HydrophobicContact CE-CD1 4.32Å; M471-I508 HydrophobicContact CG-CD1 3.98Å; L476-I508 HydrophobicContact CD1-CB 4.47Å; L476-I508 HydrophobicContact CD1-CG1 4.34Å; L476-I508 HydrophobicContact CD1-CG2 4.08Å; L481-I508 HydrophobicContact CD2-CD1 4.36Å; L481-I508 HydrophobicContact CD2-CG1 4.37Å; I484-I508 HydrophobicContact CD1-CB 4.44Å; I484-I508 HydrophobicContact CD1-CG1 3.62Å; I484-I508 HydrophobicContact CG2-CG1 4.39Å; A504-I508 WeakPolarHBondContact O-CG1 3.48Å; A504-I508 PolarHBondContact O-N 3.09Å; N505-I508 WeakPolarHBondContact O-CB 3.35Å; N505-I508 PolarHBondContact O-N 2.93Å; H506-I508 VanDerWaalsContact C-N 3.31Å; H506-I508 PolarHBondContact O-N 2.85Å; I508-K511 PolarHBondContact O-N 2.76Å; I508-L512 HydrophobicContact CG2-CD1 3.75Å; I508-L512 HydrophobicContact CG2-CG 4.26Å; I508-L512 VanDerWaalsContact O-CG 3.32Å; I508-L512 WeakPolarHBondContact O-CG 3.47Å; I508-L512 PolarHBondContact O-N 2.92Å
509K93.1Very high90.6Very high63 Ų6339.6 Ų39.627%0.27421%0.211SC..Hα-helixtrans-57-50.9176.5177.7-172.7176.8-165.80111.1D444 N505 H506 K511 L512 E513D444-K509 IonicContact OD2-NZ 3.3Å; D444-K509 PolarHBondContact OD2-NZ 3.01Å; N505-K509 PolarHBondContact O-N 3.25Å; H506-K509 WeakPolarHBondContact O-CB 3.26Å; H506-K509 PolarHBondContact O-N 3.49Å; H506-K509 VanDerWaalsContact O-N 3.13Å; K509-K511 VanDerWaalsContact C-N 3.25Å; K509-K511 PolarHBondContact O-N 2.72Å; K509-L512 PolarHBondContact O-N 3.12Å; K509-E513 WeakPolarHBondContact CE-OE1 3.23Å; K509-E513 WeakPolarHBondContact CG-OE1 3.25Å; K509-E513 WeakPolarHBondContact O-CG 3.5Å; K509-E513 PolarHBondContact O-N 3.13Å
510V88.8Confident90.1Very high0 Ų045.9 Ų45.90%024%0.24CC..Hα-helixtrans-51.5-44.5175.3165.60000111.6H506 E513 H515H506-V510 WeakPolarHBondContact O-CG2 3.32Å; H506-V510 PolarHBondContact O-N 3.31Å; V510-E513 PolarHBondContact O-N 2.88Å; V510-H515 HydrophobicContact CG1-CB 3.81Å; V510-H515 WeakPolarHBondContact O-CB 3.1Å; V510-H515 PolarHBondContact O-N 3.48Å
511K89.1Confident89.6Confident40 Ų4047.6 Ų47.617%0.17425%0.249CC..Hα-helixtrans-74.3-32.8-179.8-167.553.4172.5179.10113.2L476 V480 L507 I508 K509 E513 G514 H515 E516 L517L476-K511 HydrophobicContact CD1-CB 4.13Å; L476-K511 HydrophobicContact CD1-CG 4.21Å; L476-K511 HydrophobicContact CD2-CG 4.04Å; V480-K511 HydrophobicContact CG1-CD 4.49Å; V480-K511 HydrophobicContact CG1-CG 3.75Å; L507-K511 PolarHBondContact O-N 2.73Å; L507-K511 VanDerWaalsContact O-N 3.08Å; I508-K511 PolarHBondContact O-N 2.76Å; K509-K511 VanDerWaalsContact C-N 3.25Å; K509-K511 PolarHBondContact O-N 2.72Å; K511-E513 VanDerWaalsContact C-N 3.32Å; K511-G514 PolarHBondContact O-N 3.27Å; K511-H515 WeakPolarHBondContact CD-O 3.24Å; K511-H515 PolarHBondContact NZ-O 3.07Å; K511-E516 IonicContact NZ-OE1 3.65Å; K511-E516 PolarHBondContact NZ-OE1 3.48Å; K511-E516 IonicContact NZ-OE2 2.83Å; K511-E516 PolarHBondContact NZ-OE2 3.17Å; K511-L517 HydrophobicContact CB-CD2 4.3Å; K511-L517 HydrophobicContact CB-CG 4.41Å; K511-L517 HydrophobicContact CD-CG 4.29Å; K511-L517 HydrophobicContact CG-CG 4.49Å
512L87.9Confident89.1Confident106 Ų10649.3 Ų49.356%0.55526%0.26SS*.Hα-helixtrans-69.7-29.8174.7-72.5172.8000112.3L476 I508 K509 G514L476-L512 HydrophobicContact CD2-CD2 3.98Å; L476-L512 HydrophobicContact CG-CD2 4.21Å; I508-L512 HydrophobicContact CG2-CD1 3.75Å; I508-L512 HydrophobicContact CG2-CG 4.26Å; I508-L512 VanDerWaalsContact O-CG 3.32Å; I508-L512 WeakPolarHBondContact O-CG 3.47Å; I508-L512 PolarHBondContact O-N 2.92Å; K509-L512 PolarHBondContact O-N 3.12Å; L512-G514 PolarHBondContact O-N 2.86Å
513E85.7Confident88.6Confident104 Ų10452.9 Ų52.949%0.48629%0.29SS..THydrogen-bonded Turntrans-75.4-3.8173.3-71.1169.4176.200113K509 V510 K511K509-E513 WeakPolarHBondContact CE-OE1 3.23Å; K509-E513 WeakPolarHBondContact CG-OE1 3.25Å; K509-E513 WeakPolarHBondContact O-CG 3.5Å; K509-E513 PolarHBondContact O-N 3.13Å; V510-E513 PolarHBondContact O-N 2.88Å; K511-E513 VanDerWaalsContact C-N 3.32Å
514G78.8Confident88.1Confident62 Ų6254.3 Ų54.364%0.63930%0.297SS*.THydrogen-bonded Turntrans964.9173.500000114.8K511 L512K511-G514 PolarHBondContact O-N 3.27Å; L512-G514 PolarHBondContact O-N 2.86Å
515H83.3Confident87.9Confident62 Ų6254.3 Ų54.329%0.28730%0.297SS..PPolyproline II helixtrans-82.2155.7178.2-61.5-78.1000112.4E428 V510 K511E428-H515 IonicContact OE2-CE1 3.5Å; V510-H515 HydrophobicContact CG1-CB 3.81Å; V510-H515 WeakPolarHBondContact O-CB 3.1Å; V510-H515 PolarHBondContact O-N 3.48Å; K511-H515 WeakPolarHBondContact CD-O 3.24Å; K511-H515 PolarHBondContact NZ-O 3.07Å
516E83.3Confident87.7Confident142 Ų14254.3 Ų54.366%0.66430%0.297SS*.PPolyproline II helixtrans-81.3144.7174.1-77.1-58.4150.200112.2K511K511-E516 IonicContact NZ-OE1 3.65Å; K511-E516 PolarHBondContact NZ-OE1 3.48Å; K511-E516 IonicContact NZ-OE2 2.83Å; K511-E516 PolarHBondContact NZ-OE2 3.17Å
517L85.4Confident87.6Confident11 Ų1154.2 Ų54.26%0.05830%0.296CS..PPolyproline II helixtrans-79.6139176.7-68.2171.6000110V480 K483 I484 L507 K511V480-L517 HydrophobicContact CG1-CD1 3.79Å; K483-L517 HydrophobicContact CB-CD1 4.43Å; K483-L517 HydrophobicContact CD-CB 4.06Å; K483-L517 HydrophobicContact CD-CD1 4.27Å; K483-L517 HydrophobicContact CG-CD1 4.44Å; K483-L517 PolarHBondContact NZ-O 3.07Å; I484-L517 HydrophobicContact CD1-CD1 4Å; I484-L517 HydrophobicContact CD1-CD2 4.44Å; I484-L517 HydrophobicContact CG1-CD1 3.44Å; I484-L517 VanDerWaalsContact CG1-CD1 3.44Å; I484-L517 HydrophobicContact CG1-CD2 4.08Å; I484-L517 HydrophobicContact CG1-CG 4.43Å; L507-L517 HydrophobicContact CB-CD2 4.09Å; L507-L517 HydrophobicContact CD2-CD2 4.2Å; K511-L517 HydrophobicContact CB-CD2 4.3Å; K511-L517 HydrophobicContact CB-CG 4.41Å; K511-L517 HydrophobicContact CD-CG 4.29Å; K511-L517 HydrophobicContact CG-CG 4.49Å
518P85.1Confident87.3Confident26 Ų2657.2 Ų57.217%0.16932%0.316CS..PPolyproline II helixtrans-68.3156.2-178.834.4-37.6000109.9A430 K483 L487 E520 P522A430-P518 HydrophobicContact CB-CB 4.22Å; A430-P518 VanDerWaalsContact CB-CD 3.48Å; A430-P518 HydrophobicContact CB-CG 3.67Å; K483-P518 WeakPolarHBondContact CE-O 3.34Å; K483-P518 PolarHBondContact NZ-O 3.32Å; L487-P518 HydrophobicContact CD1-CG 4.23Å; P518-E520 WeakPolarHBondContact CB-O 3.47Å; P518-P522 HydrophobicContact CB-CG 4.43Å
519N82.1Confident87Confident144 Ų14460.3 Ų60.377%0.7734%0.338SS*.SBendtrans-76.9-29.5178-69.4-29.7000112.3K483K483-N519 PolarHBondContact NZ-OD1 3.13Å
520E85.3Confident86.6Confident166 Ų16657.9 Ų57.978%0.77633%0.328SS*.SBendtrans-133.6149175.5-64.9-179.3176.400108.1P518 P522P518-E520 WeakPolarHBondContact CB-O 3.47Å; E520-P522 VanDerWaalsContact O-CD 3.28Å; E520-P522 WeakPolarHBondContact O-CD 3.42Å
521L86.4Confident86.3Confident36 Ų3662.7 Ų62.719%0.18835%0.346CS..  trans-71.7121.4-177.3-171.471.6000110L487 I490 L503 L525 L526L487-L521 HydrophobicContact CD2-CB 4.19Å; I490-L521 HydrophobicContact CD1-CD2 4.08Å; I490-L521 HydrophobicContact CG1-CD2 4.33Å; L503-L521 HydrophobicContact CD1-CD1 4.15Å; L503-L521 HydrophobicContact CD2-CD1 4.04Å; L503-L521 HydrophobicContact CD2-CD2 3.62Å; L503-L521 HydrophobicContact CD2-CG 4.5Å; L521-L525 HydrophobicContact CD1-CB 3.86Å; L521-L525 HydrophobicContact CD1-CD1 4.24Å; L521-L525 HydrophobicContact CG-CB 4.21Å; L521-L526 HydrophobicContact CD2-CD2 3.69Å; L521-L526 HydrophobicContact CD2-CG 4.17Å
522P87.1Confident85.3Confident36 Ų3669.7 Ų69.723%0.23438%0.376CS..  trans-62.2147.6176.1-24.135.8000112.5P518 E520 H524 L525 L526P518-P522 HydrophobicContact CB-CG 4.43Å; E520-P522 VanDerWaalsContact O-CD 3.28Å; E520-P522 WeakPolarHBondContact O-CD 3.42Å; P522-H524 VanDerWaalsContact C-N 3.26Å; P522-H524 WeakPolarHBondContact CB-CE1 3.38Å; P522-H524 WeakPolarHBondContact CB-ND1 3.07Å; P522-H524 PolarHBondContact O-N 3.1Å; P522-L525 HydrophobicContact CG-CD1 4.49Å; P522-L525 PolarHBondContact O-N 3.09Å; P522-L526 PolarHBondContact O-N 3.4Å
523A86.3Confident83.9Confident76 Ų7670.3 Ų70.363%0.62838%0.38SS*.G310 helixtrans-59.2-33.9-175.800000113.9L525 L526A523-L525 VanDerWaalsContact C-N 3.28Å; A523-L525 PolarHBondContact O-N 3.27Å; A523-L526 WeakPolarHBondContact O-CB 3.41Å; A523-L526 PolarHBondContact O-N 3.39Å
524H85.5Confident82.4Confident29 Ų2968.4 Ų68.413%0.13438%0.382CS..G310 helixtrans-70.4-23.7177.969-86.5000112.9A430 E432 W439 P522A430-H524 PolarHBondContact O-CE1 2.65Å; A430-H524 PolarHBondContact O-NE2 2.76Å; E432-H524 PolarHBondContact O-CD2 3.34Å; E432-H524 PolarHBondContact O-NE2 3.17Å; W439-H524 VanDerWaalsContact CD1-O 3.28Å; P522-H524 VanDerWaalsContact C-N 3.26Å; P522-H524 WeakPolarHBondContact CB-CE1 3.38Å; P522-H524 WeakPolarHBondContact CB-ND1 3.07Å; P522-H524 PolarHBondContact O-N 3.1Å
525L91.8Very high80.7Confident0 Ų076.5 Ų76.50%040%0.403CS..G310 helixtrans-86.2-8.4174.6-68.2-171.1000113.3A430 W439 V440 V441 L503 L507 L521 P522 A523 P527A430-L525 HydrophobicContact CB-CD1 4.08Å; A430-L525 WeakPolarHBondContact O-CD1 3.38Å; W439-L525 PolarHBondContact NE1-O 2.96Å; V440-L525 HydrophobicContact CG1-CD2 3.45Å; V440-L525 VanDerWaalsContact CG1-CD2 3.45Å; V441-L525 HydrophobicContact CG2-CD2 4.49Å; L503-L525 HydrophobicContact CD1-CB 4.23Å; L507-L525 HydrophobicContact CD2-CD1 4.29Å; L521-L525 HydrophobicContact CD1-CB 3.86Å; L521-L525 HydrophobicContact CD1-CD1 4.24Å; L521-L525 HydrophobicContact CG-CB 4.21Å; P522-L525 HydrophobicContact CG-CD1 4.49Å; P522-L525 PolarHBondContact O-N 3.09Å; A523-L525 VanDerWaalsContact C-N 3.28Å; A523-L525 PolarHBondContact O-N 3.27Å; L525-P527 WeakPolarHBondContact O-CD 3.46Å
526L91.6Very high80.6Confident24 Ų2477.3 Ų77.313%0.12641%0.409CS..SBendtrans-64.2125.3174.1-76.1166.7000110.3I490 L521 P522 A523 R531 A534I490-L526 HydrophobicContact CD1-CD2 3.99Å; I490-L526 HydrophobicContact CG2-CD2 4.44Å; L521-L526 HydrophobicContact CD2-CD2 3.69Å; L521-L526 HydrophobicContact CD2-CG 4.17Å; P522-L526 PolarHBondContact O-N 3.4Å; A523-L526 WeakPolarHBondContact O-CB 3.41Å; A523-L526 PolarHBondContact O-N 3.39Å; L526-R531 HydrophobicContact CB-CG 4.02Å; L526-R531 PolarHBondContact O-NE 3.22Å; L526-A534 HydrophobicContact CD1-CB 3.86Å; L526-A534 HydrophobicContact CD2-CB 4.46Å
527P92.6Very high80.4Confident0 Ų073.8 Ų73.80%040%0.395CS..  trans-48.8134.4171.3-3037.8000111.7W439 I490 E499 L503 L525 S529 K530 R531W439-P527 HydrophobicContact CH2-CB 4.29Å; W439-P527 HydrophobicContact CH2-CG 4.15Å; W439-P527 HydrophobicContact CZ2-CB 4.18Å; W439-P527 HydrophobicContact CZ2-CG 3.81Å; I490-P527 HydrophobicContact CD1-CG 3.61Å; E499-P527 HydrophobicContact CB-CB 3.77Å; E499-P527 HydrophobicContact CB-CG 4.12Å; E499-P527 HydrophobicContact CG-CB 4.44Å; E499-P527 VanDerWaalsContact OE2-CB 3.28Å; E499-P527 WeakPolarHBondContact OE2-CB 3.42Å; L503-P527 HydrophobicContact CD2-CG 4.38Å; L525-P527 WeakPolarHBondContact O-CD 3.46Å; P527-S529 PolarHBondContact O-N 3.15Å; P527-S529 VanDerWaalsContact O-N 3.12Å; P527-K530 HydrophobicContact CB-CB 4.32Å; P527-K530 HydrophobicContact CB-CG 4.13Å; P527-K530 PolarHBondContact O-N 3.49Å; P527-R531 PolarHBondContact O-N 3.02Å
528P88.9Confident80.1Confident64 Ų6477.3 Ų77.342%0.41641%0.414SS..G310 helixtrans-51.9-38.1-176.7-2935.8000113.8W439 K530W439-P528 HydrophobicContact CB-CG 3.89Å; W439-P528 HydrophobicContact CD2-CG 4.42Å; W439-P528 HydrophobicContact CE3-CG 4.37Å; W439-P528 HydrophobicContact CG-CG 4.27Å; P528-K530 VanDerWaalsContact C-N 3.31Å; P528-K530 PolarHBondContact O-N 3.26Å
529S88.5Confident79.8Confident75 Ų7580.4 Ų80.452%0.52443%0.428SS..G310 helixtrans-69.2-27.3-179.777.20000113.4E499 P527E499-S529 WeakPolarHBondContact OE2-CB 3.03Å; E499-S529 PolarHBondContact OE2-OG 2.85Å; P527-S529 PolarHBondContact O-N 3.15Å; P527-S529 VanDerWaalsContact O-N 3.12Å
530K85.5Confident79.7Confident13 Ų1376.4 Ų76.46%0.05741%0.407CS..G310 helixtrans-96.9-4.7-173.3-56.8-70.8176112.80113.9I490 D491 D497 E500 P527 P528 K532 L533I490-K530 HydrophobicContact CD1-CB 4.37Å; I490-K530 HydrophobicContact CG2-CB 4.08Å; D491-K530 IonicContact OD2-NZ 3.78Å; D491-K530 PolarHBondContact OD2-NZ 3.2Å; D497-K530 WeakPolarHBondContact OD2-CE 3.49Å; D497-K530 IonicContact OD2-NZ 3.98Å; D497-K530 PolarHBondContact OD2-NZ 2.81Å; E500-K530 VanDerWaalsContact CD-NZ 3.3Å; E500-K530 IonicContact OE1-NZ 3.15Å; E500-K530 PolarHBondContact OE1-NZ 3.33Å; E500-K530 IonicContact OE2-NZ 2.55Å; P527-K530 HydrophobicContact CB-CB 4.32Å; P527-K530 HydrophobicContact CB-CG 4.13Å; P527-K530 PolarHBondContact O-N 3.49Å; P528-K530 VanDerWaalsContact C-N 3.31Å; P528-K530 PolarHBondContact O-N 3.26Å; K530-K532 PolarHBondContact O-N 3.34Å; K530-K532 VanDerWaalsContact O-N 3.14Å; K530-L533 HydrophobicContact CD-CD1 3.73Å; K530-L533 WeakPolarHBondContact O-CB 3.25Å; K530-L533 PolarHBondContact O-N 3.38Å
531R82.9Confident79.3Confident101 Ų10170.4 Ų70.438%0.38138%0.382SS..G310 helixtrans-58.4-29.2-177.4-69.8177.2-175.1176.7-2.2114.4L526 P527 L533L526-R531 HydrophobicContact CB-CG 4.02Å; L526-R531 PolarHBondContact O-NE 3.22Å; P527-R531 PolarHBondContact O-N 3.02Å; R531-L533 VanDerWaalsContact C-N 3.34Å
532K66.7Low78.8Confident187 Ų18772.9 Ų72.981%0.81340%0.396SS*.G310 helixtrans-79.4-12178-66-175.8179.5179.50114.6K530K530-K532 PolarHBondContact O-N 3.34Å; K530-K532 VanDerWaalsContact O-N 3.14Å
533L60.1Low78.2Confident119 Ų11975.7 Ų75.762%0.62341%0.409SS*.G310 helixtrans-89.6-8.8177.8-71.4158.7000112.2K530 R531K530-L533 HydrophobicContact CD-CD1 3.73Å; K530-L533 WeakPolarHBondContact O-CB 3.25Å; K530-L533 PolarHBondContact O-N 3.38Å; R531-L533 VanDerWaalsContact C-N 3.34Å
534A52.9Low77.5Confident64 Ų6475.7 Ų75.753%0.52939%0.391SS..  trans-105.9-5.1-174.900000114.2L526L526-A534 HydrophobicContact CD1-CB 3.86Å; L526-A534 HydrophobicContact CD2-CB 4.46Å
535E43.2Very low76.8Confident232 Ų23279.9 Ų79.9100%1.08441%0.414SS*.  trans-81.50161.6-71.8-177.5165.400109.8

Retrieved 535 of 535 residues in 390.4 ms (Link to these results)

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