A0A060X163_ONCMY Loading...

Ceramide-1-phosphate transfer protein

AlphaFold DB , UniProt , Accession A0A060X163, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 216 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
1M30.3Very low49.8Very low236 Ų236123.6 Ų123.6100%1.16368%0.684SS**  0108.80-83.7171.160.300107.2V3M1-V3 PolarHBondContact O-N 3.28Å
2A32.8Very low52.7Low106 Ų106113.4 Ų113.488%0.87663%0.628SS**  trans-68.4115.3173.700000107.5A4A2-A4 PolarHBondContact O-N 2.97Å; A2-A4 VanDerWaalsContact O-N 3.13Å
3V34.4Very low55.1Low129 Ų129109.6 Ų109.678%0.78260%0.603SS**  trans-65.9111.8167.9176.60000105.5M1 L5M1-V3 PolarHBondContact O-N 3.28Å; V3-L5 PolarHBondContact O-N 3.18Å
4A37.9Very low57.2Low84 Ų84106.2 Ų106.269%0.69458%0.58SS**  trans-58.8105.6164.800000106.5A2 E6A2-A4 PolarHBondContact O-N 2.97Å; A2-A4 VanDerWaalsContact O-N 3.13Å; A4-E6 PolarHBondContact O-N 3.17Å
5L37.5Very low59.1Low163 Ų16399.2 Ų99.285%0.85354%0.542SS*.  trans-64.195.3160.5-76.6160.1000104.7V3 D7V3-L5 PolarHBondContact O-N 3.18Å; L5-D7 PolarHBondContact O-N 2.88Å
6E40.9Very low60.6Low157 Ų15793.1 Ų93.173%0.73451%0.509SS*.  trans-46.4137.1163.5-76.2176.8153.900108A4 L8A4-E6 PolarHBondContact O-N 3.17Å; E6-L8 PolarHBondContact O-N 3.39Å
7D46.2Very low62.2Low165 Ų16592.1 Ų92.188%0.88250%0.503SS*.  trans-5970.3170-79.5-45.3000109.9L5 K9L5-D7 PolarHBondContact O-N 2.88Å; D7-K9 PolarHBondContact O-N 3.02Å
8L54.2Low63.6Low118 Ų11888.7 Ų88.762%0.61849%0.485SS*.  trans-64.2106.2173.8-78.4164.5000106.3E6 F10 R43E6-L8 PolarHBondContact O-N 3.39Å; L8-F10 PolarHBondContact O-N 3.13Å; L8-R43 PolarHBondContact O-NH2 3.26Å
9K68.3Low64.8Low167 Ų16784.1 Ų84.173%0.72646%0.46SS*.  trans-50.3127170.5-71.9-176177.5-177.70107.5D7D7-K9 PolarHBondContact O-N 3.02Å
10F80.1Confident66Low8 Ų885.4 Ų85.44%0.03546%0.461CS..  trans-49.4142.2173.3168.6-96.1000110L8 L12 V15 G40 R43 F44 V176 N178L8-F10 PolarHBondContact O-N 3.13Å; F10-L12 HydrophobicContact CE1-CB 4.44Å; F10-L12 HydrophobicContact CZ-CB 4.39Å; F10-L12 HydrophobicContact CZ-CD1 4.41Å; F10-V15 HydrophobicContact CE2-CG2 3.65Å; F10-V15 HydrophobicContact CZ-CG2 3.82Å; F10-G40 WeakPolarHBondContact CE2-O 3.5Å; F10-R43 HydrophobicContact CB-CB 4.49Å; F10-R43 HydrophobicContact CD2-CB 3.78Å; F10-R43 HydrophobicContact CG-CB 4.41Å; F10-F44 HydrophobicContact CD1-CB 4.2Å; F10-F44 HydrophobicContact CD1-CD2 4.25Å; F10-F44 HydrophobicContact CD2-CB 4.36Å; F10-F44 HydrophobicContact CE1-CB 3.62Å; F10-F44 AromaticContact CE1-CD2 3.55Å; F10-F44 HydrophobicContact CE1-CD2 3.55Å; F10-F44 AromaticContact CE1-CG 3.99Å; F10-F44 HydrophobicContact CE1-CG 3.99Å; F10-F44 HydrophobicContact CE2-CB 3.79Å; F10-F44 HydrophobicContact CZ-CB 3.41Å; F10-F44 VanDerWaalsContact CZ-CB 3.41Å; F10-F44 HydrophobicContact CZ-CD2 4.09Å; F10-F44 HydrophobicContact CZ-CG 4.08Å; F10-V176 WeakPolarHBondContact CD1-O 3.46Å; F10-N178 VanDerWaalsContact O-CB 3.23Å; F10-N178 WeakPolarHBondContact O-CB 3.46Å; F10-N178 PolarHBondContact O-ND2 3.15Å
11T85.3Confident67.2Low27 Ų2784.1 Ų84.117%0.16646%0.458CS..  trans-135.5139.1165.3179.80000109.5Q13 E14 M177 N178 V179T11-Q13 HydrophobicContact CG2-CB 4.13Å; T11-Q13 PolarHBondContact O-N 3.13Å; T11-Q13 VanDerWaalsContact O-N 3.15Å; T11-Q13 PolarHBondContact OG1-N 2.96Å; T11-E14 HydrophobicContact CG2-CB 4.25Å; T11-E14 HydrophobicContact CG2-CG 3.55Å; T11-E14 WeakPolarHBondContact O-CB 3.29Å; T11-E14 PolarHBondContact O-N 3.16Å; T11-E14 VanDerWaalsContact O-N 3.08Å; T11-M177 WeakPolarHBondContact CA-O 3.45Å; T11-N178 PolarHBondContact OG1-O 3.42Å; T11-V179 WeakPolarHBondContact OG1-CG1 3.35Å
12L84.3Confident70.1Confident1 Ų172.9 Ų72.91%0.00540%0.403CS..Hα-helixtrans-60.5-24.1176.9-174.465.9000111.8F10 E14 V15 L16 M177 V179 V188 L189F10-L12 HydrophobicContact CE1-CB 4.44Å; F10-L12 HydrophobicContact CZ-CB 4.39Å; F10-L12 HydrophobicContact CZ-CD1 4.41Å; L12-E14 VanDerWaalsContact C-N 3.27Å; L12-E14 PolarHBondContact O-N 2.94Å; L12-V15 HydrophobicContact CD1-CB 4.19Å; L12-V15 HydrophobicContact CD1-CG2 4.35Å; L12-V15 WeakPolarHBondContact O-CB 3.42Å; L12-V15 PolarHBondContact O-N 3.31Å; L12-V15 VanDerWaalsContact O-N 3.08Å; L12-L16 PolarHBondContact O-N 3.36Å; L12-M177 HydrophobicContact CB-CB 4.04Å; L12-M177 HydrophobicContact CB-CG 4.28Å; L12-M177 HydrophobicContact CD2-CB 4.41Å; L12-M177 HydrophobicContact CD2-CG 4.1Å; L12-M177 HydrophobicContact CD2-SD 3.79Å; L12-M177 PolarHBondContact N-O 3.09Å; L12-V179 HydrophobicContact CB-CG1 4.08Å; L12-V188 HydrophobicContact CB-CG1 4.39Å; L12-V188 HydrophobicContact CD2-CG1 3.9Å; L12-V188 HydrophobicContact CG-CG1 4.02Å; L12-L189 HydrophobicContact CD2-CD2 3.61Å; L12-L189 HydrophobicContact CD2-CG 3.89Å
13Q84.5Confident72.9Confident64 Ų6469.3 Ų69.330%0.29937%0.369SS..Hα-helixtrans-59.7-35.9174.9-170.661.451.400112.7T11 V15 L16 D17 V179T11-Q13 HydrophobicContact CG2-CB 4.13Å; T11-Q13 PolarHBondContact O-N 3.13Å; T11-Q13 VanDerWaalsContact O-N 3.15Å; T11-Q13 PolarHBondContact OG1-N 2.96Å; Q13-V15 VanDerWaalsContact C-N 3.26Å; Q13-V15 PolarHBondContact O-N 3.03Å; Q13-L16 WeakPolarHBondContact O-CB 3.44Å; Q13-L16 PolarHBondContact O-N 3.32Å; Q13-D17 PolarHBondContact NE2-OD1 3.41Å; Q13-D17 VanDerWaalsContact O-CG 3.24Å; Q13-D17 PolarHBondContact O-N 2.99Å; Q13-V179 HydrophobicContact CB-CG1 4.46Å
14E84.6Confident75.7Confident62 Ų6264.2 Ų64.229%0.2934%0.339SS..Hα-helixtrans-63.3-36.1176.2-73.1166.3-178.300111.4T11 L12 T18 R43T11-E14 HydrophobicContact CG2-CB 4.25Å; T11-E14 HydrophobicContact CG2-CG 3.55Å; T11-E14 WeakPolarHBondContact O-CB 3.29Å; T11-E14 PolarHBondContact O-N 3.16Å; T11-E14 VanDerWaalsContact O-N 3.08Å; L12-E14 VanDerWaalsContact C-N 3.27Å; L12-E14 PolarHBondContact O-N 2.94Å; E14-T18 WeakPolarHBondContact O-CB 3.34Å; E14-T18 PolarHBondContact O-N 3.14Å; E14-T18 VanDerWaalsContact O-N 3.14Å; E14-T18 PolarHBondContact O-OG1 2.93Å; E14-R43 IonicContact OE2-CZ 2.7Å; E14-R43 IonicContact OE2-NH1 3.54Å; E14-R43 PolarHBondContact OE2-NH1 2.9Å; E14-R43 IonicContact OE2-NH2 3.52Å
15V84.8Confident78Confident1 Ų169.1 Ų69.11%0.00635%0.348CS..Hα-helixtrans-66.6-48.7175.3179.10000109.5F10 L12 Q13 D17 T18 F19 L41F10-V15 HydrophobicContact CE2-CG2 3.65Å; F10-V15 HydrophobicContact CZ-CG2 3.82Å; L12-V15 HydrophobicContact CD1-CB 4.19Å; L12-V15 HydrophobicContact CD1-CG2 4.35Å; L12-V15 WeakPolarHBondContact O-CB 3.42Å; L12-V15 PolarHBondContact O-N 3.31Å; L12-V15 VanDerWaalsContact O-N 3.08Å; Q13-V15 VanDerWaalsContact C-N 3.26Å; Q13-V15 PolarHBondContact O-N 3.03Å; V15-D17 PolarHBondContact O-N 2.99Å; V15-T18 PolarHBondContact O-N 2.77Å; V15-F19 HydrophobicContact CG1-CD2 3.68Å; V15-F19 HydrophobicContact CG1-CE2 3.77Å; V15-F19 WeakPolarHBondContact O-CD2 3.14Å; V15-F19 PolarHBondContact O-N 3Å; V15-L41 HydrophobicContact CG1-CD2 3.59Å; V15-L41 HydrophobicContact CG1-CG 4.12Å; V15-L41 HydrophobicContact CG2-CD2 4.34Å
16L83.7Confident80.5Confident2 Ų268.7 Ų68.71%0.0134%0.341CS..Hα-helixtrans-53.7-52.3176.6173.951.8000111.7L12 Q13 T18 F19 K20 V188 D191 T192 L195L12-L16 PolarHBondContact O-N 3.36Å; Q13-L16 WeakPolarHBondContact O-CB 3.44Å; Q13-L16 PolarHBondContact O-N 3.32Å; L16-T18 PolarHBondContact O-N 3.15Å; L16-F19 PolarHBondContact O-N 2.98Å; L16-K20 HydrophobicContact CD1-CD 4.43Å; L16-K20 HydrophobicContact CD1-CG 4.34Å; L16-K20 WeakPolarHBondContact O-CG 3.36Å; L16-K20 PolarHBondContact O-N 3.42Å; L16-V188 HydrophobicContact CD2-CG1 4.12Å; L16-D191 HydrophobicContact CD1-CB 4.34Å; L16-D191 HydrophobicContact CD2-CB 4.06Å; L16-T192 HydrophobicContact CB-CG2 4.36Å; L16-T192 WeakPolarHBondContact CB-OG1 3.45Å; L16-T192 HydrophobicContact CD1-CG2 4.4Å; L16-T192 WeakPolarHBondContact CD1-OG1 3.24Å; L16-L195 HydrophobicContact CD1-CD1 3.51Å
17D86.9Confident82.9Confident76 Ų7666 Ų6641%0.40633%0.327SS..Hα-helixtrans-63.1-35.4-177.1-65.9-20000111.6Q13 V15 K20 S21Q13-D17 PolarHBondContact NE2-OD1 3.41Å; Q13-D17 VanDerWaalsContact O-CG 3.24Å; Q13-D17 PolarHBondContact O-N 2.99Å; V15-D17 PolarHBondContact O-N 2.99Å; D17-K20 IonicContact OD1-NZ 2.68Å; D17-S21 PolarHBondContact O-N 3.09Å
18T88.8Confident85.2Confident31 Ų3161.7 Ų61.719%0.1930%0.301CS..Hα-helixtrans-70.1-43.6177-52.90000112.3E14 V15 L16 K20 S21 C22 H33 A36E14-T18 WeakPolarHBondContact O-CB 3.34Å; E14-T18 PolarHBondContact O-N 3.14Å; E14-T18 VanDerWaalsContact O-N 3.14Å; E14-T18 PolarHBondContact O-OG1 2.93Å; V15-T18 PolarHBondContact O-N 2.77Å; L16-T18 PolarHBondContact O-N 3.15Å; T18-K20 VanDerWaalsContact C-N 3.29Å; T18-K20 PolarHBondContact O-N 3.26Å; T18-S21 PolarHBondContact O-N 2.86Å; T18-S21 VanDerWaalsContact O-N 3.08Å; T18-C22 PolarHBondContact O-N 2.94Å; T18-C22 PolarHBondContact O-SG 2.93Å; T18-H33 WeakPolarHBondContact CG2-O 3.25Å; T18-A36 HydrophobicContact CG2-CB 3.53Å
19F85.6Confident87.3Confident1 Ų156.1 Ų56.10%0.00427%0.272CS..Hα-helixtrans-67.2-28.8177.8-86.2-82.7000112.8V15 L16 S21 C22 L41 L117 L195 I196 V199V15-F19 HydrophobicContact CG1-CD2 3.68Å; V15-F19 HydrophobicContact CG1-CE2 3.77Å; V15-F19 WeakPolarHBondContact O-CD2 3.14Å; V15-F19 PolarHBondContact O-N 3Å; L16-F19 PolarHBondContact O-N 2.98Å; F19-S21 VanDerWaalsContact C-N 3.26Å; F19-S21 PolarHBondContact O-N 2.97Å; F19-C22 WeakPolarHBondContact O-CB 3.38Å; F19-C22 PolarHBondContact O-N 3.47Å; F19-C22 VanDerWaalsContact O-N 3.16Å; F19-L41 HydrophobicContact CE2-CD1 3.92Å; F19-L41 HydrophobicContact CE2-CG 4.35Å; F19-L41 HydrophobicContact CZ-CD1 3.98Å; F19-L117 HydrophobicContact CE1-CD1 4.44Å; F19-L117 HydrophobicContact CE1-CD2 4.35Å; F19-L117 HydrophobicContact CZ-CD1 3.97Å; F19-L195 HydrophobicContact CB-CB 4.37Å; F19-I196 HydrophobicContact CD1-CG1 3.98Å; F19-I196 HydrophobicContact CD2-CG1 4.09Å; F19-I196 HydrophobicContact CE1-CG1 4.08Å; F19-I196 HydrophobicContact CE2-CD1 4.42Å; F19-I196 HydrophobicContact CE2-CG1 4.19Å; F19-I196 HydrophobicContact CG-CG1 4Å; F19-I196 HydrophobicContact CZ-CG1 4.18Å; F19-V199 HydrophobicContact CD1-CB 4.48Å; F19-V199 HydrophobicContact CD1-CG2 4.28Å; F19-V199 HydrophobicContact CE1-CG1 4.42Å
20K88.1Confident88.7Confident110 Ų11051.5 Ų51.548%0.47825%0.252SS..Hα-helixtrans-59.6-36.9169.1-73.7175.4-177.7164.30112.4L16 D17 T18 C22 L195L16-K20 HydrophobicContact CD1-CD 4.43Å; L16-K20 HydrophobicContact CD1-CG 4.34Å; L16-K20 WeakPolarHBondContact O-CG 3.36Å; L16-K20 PolarHBondContact O-N 3.42Å; D17-K20 IonicContact OD1-NZ 2.68Å; T18-K20 VanDerWaalsContact C-N 3.29Å; T18-K20 PolarHBondContact O-N 3.26Å; K20-C22 VanDerWaalsContact C-N 3.34Å; K20-L195 HydrophobicContact CB-CD1 4.46Å; K20-L195 HydrophobicContact CD-CD1 4.48Å; K20-L195 HydrophobicContact CG-CD1 3.42Å; K20-L195 VanDerWaalsContact CG-CD1 3.42Å
21S91.1Very high89.5Confident58 Ų5851.1 Ų51.141%0.40625%0.251SS..Hα-helixtrans-82.6-9.6177.9-58.60000113.7D17 T18 F19 L23 H33D17-S21 PolarHBondContact O-N 3.09Å; T18-S21 PolarHBondContact O-N 2.86Å; T18-S21 VanDerWaalsContact O-N 3.08Å; F19-S21 VanDerWaalsContact C-N 3.26Å; F19-S21 PolarHBondContact O-N 2.97Å; S21-L23 VanDerWaalsContact C-N 3.34Å; S21-L23 PolarHBondContact O-N 3.25Å; S21-H33 PolarHBondContact O-CD2 3.17Å
22C91.1Very high90.1Very high0 Ų056.3 Ų56.30%027%0.273CS..Hα-helixtrans-66.3-33.1-179-76.50000113.5T18 F19 K20 V29 F30 H33 Y34 V199T18-C22 PolarHBondContact O-N 2.94Å; T18-C22 PolarHBondContact O-SG 2.93Å; F19-C22 WeakPolarHBondContact O-CB 3.38Å; F19-C22 PolarHBondContact O-N 3.47Å; F19-C22 VanDerWaalsContact O-N 3.16Å; K20-C22 VanDerWaalsContact C-N 3.34Å; C22-V29 CarbonylContact O-C 3.49Å; C22-V29 VanDerWaalsContact O-CA 3.26Å; C22-V29 WeakPolarHBondContact O-CA 3.41Å; C22-F30 PolarHBondContact O-N 3.21Å; C22-H33 HydrophobicContact CB-CB 4.39Å; C22-H33 PolarHBondContact SG-O 3.5Å; C22-Y34 PolarHBondContact SG-N 3.44Å; C22-Y34 VanDerWaalsContact SG-N 3.39Å; C22-V199 HydrophobicContact CB-CG2 3.77Å
23L92.4Very high90.6Very high32 Ų3259.4 Ų59.417%0.16829%0.287CS..BIsolated β-bridgetrans-110.3128.2-168.9-16371000111.7S21 K27 E28 V29 E198 V202S21-L23 VanDerWaalsContact C-N 3.34Å; S21-L23 PolarHBondContact O-N 3.25Å; L23-K27 HydrophobicContact CD1-CD 4.47Å; L23-K27 HydrophobicContact CD2-CD 3.87Å; L23-K27 HydrophobicContact CG-CD 4.36Å; L23-E28 WeakPolarHBondContact CA-O 3.19Å; L23-V29 HydrophobicContact CD1-CG2 3.9Å; L23-E198 HydrophobicContact CD2-CG 3.62Å; L23-E198 WeakPolarHBondContact CD2-OE2 3.21Å; L23-V202 HydrophobicContact CD1-CG1 4.43Å; L23-V202 HydrophobicContact CD1-CG2 4.18Å
24S92.3Very high91.2Very high21 Ų2156.3 Ų56.315%0.14727%0.273CS..  trans-79.4165.9172.281.90000112.2H26 K27 E28S24-H26 PolarHBondContact O-N 2.7Å; S24-H26 VanDerWaalsContact O-N 3.09Å; S24-H26 PolarHBondContact OG-N 3.01Å; S24-K27 PolarHBondContact O-N 3.09Å; S24-E28 PolarHBondContact N-O 2.93Å; S24-E28 WeakPolarHBondContact OG-CB 3.47Å; S24-E28 PolarHBondContact OG-N 3.04Å
25E87.7Confident91.7Very high187 Ų18753.6 Ų53.687%0.87426%0.26SS*.THydrogen-bonded Turntrans-56.3-25.1171.9-63.8-175.1174.400112.8
26H89.8Confident92.1Very high154 Ų15455.1 Ų55.171%0.71327%0.273SS*.THydrogen-bonded Turntrans-97.216.2179.8-57.9-46.2000113.8S24 E28S24-H26 PolarHBondContact O-N 2.7Å; S24-H26 VanDerWaalsContact O-N 3.09Å; S24-H26 PolarHBondContact OG-N 3.01Å; H26-E28 VanDerWaalsContact C-N 3.26Å; H26-E28 PolarHBondContact O-N 2.99Å
27K90.8Very high92.6Very high101 Ų10155 Ų5544%0.43927%0.273SS..SBendtrans60.132.4-178-52.6-62.3-177-168.40113.6L23 S24 Q82 E198 V202L23-K27 HydrophobicContact CD1-CD 4.47Å; L23-K27 HydrophobicContact CD2-CD 3.87Å; L23-K27 HydrophobicContact CG-CD 4.36Å; S24-K27 PolarHBondContact O-N 3.09Å; K27-Q82 PolarHBondContact O-NE2 3.22Å; K27-E198 IonicContact NZ-OE1 3.86Å; K27-E198 PolarHBondContact NZ-OE1 3.21Å; K27-V202 HydrophobicContact CB-CG2 4.26Å; K27-V202 HydrophobicContact CD-CG2 4.44Å; K27-V202 VanDerWaalsContact O-CG1 3.23Å; K27-V202 WeakPolarHBondContact O-CG1 3.28Å
28E95.3Very high92.9Very high75 Ų7551.6 Ų51.635%0.3525%0.254SS..  trans-88.1140.6166.3-62.1-170.3103.800110.3L23 S24 H26 T80L23-E28 WeakPolarHBondContact CA-O 3.19Å; S24-E28 PolarHBondContact N-O 2.93Å; S24-E28 WeakPolarHBondContact OG-CB 3.47Å; S24-E28 PolarHBondContact OG-N 3.04Å; H26-E28 VanDerWaalsContact C-N 3.26Å; H26-E28 PolarHBondContact O-N 2.99Å; E28-T80 HydrophobicContact CB-CG2 3.97Å
29V97.6Very high93.1Very high0 Ų056 Ų560%027%0.267CS..BIsolated β-bridgetrans-101.7110.6179.1-177.10000108.7C22 L23 L31 Y34 T80 I81 V199 V202C22-V29 CarbonylContact O-C 3.49Å; C22-V29 VanDerWaalsContact O-CA 3.26Å; C22-V29 WeakPolarHBondContact O-CA 3.41Å; L23-V29 HydrophobicContact CD1-CG2 3.9Å; V29-L31 PolarHBondContact O-N 3.22Å; V29-Y34 HydrophobicContact CG1-CD2 4.1Å; V29-T80 CarbonylContact O-C 3.51Å; V29-T80 WeakPolarHBondContact O-CA 3.28Å; V29-T80 WeakPolarHBondContact O-CB 3.44Å; V29-I81 HydrophobicContact CB-CB 4.38Å; V29-I81 HydrophobicContact CB-CD1 3.72Å; V29-I81 HydrophobicContact CB-CG1 3.97Å; V29-I81 HydrophobicContact CG1-CD1 3.45Å; V29-I81 VanDerWaalsContact CG1-CD1 3.45Å; V29-I81 HydrophobicContact CG1-CG1 4Å; V29-I81 HydrophobicContact CG2-CD1 4.49Å; V29-I81 PolarHBondContact O-N 2.87Å; V29-V199 HydrophobicContact CG1-CG1 3.94Å; V29-V199 HydrophobicContact CG2-CG1 4.42Å; V29-V202 HydrophobicContact CG2-CB 4.24Å; V29-V202 HydrophobicContact CG2-CG1 3.71Å
30F97.9Very high93.4Very high71 Ų7156.3 Ų56.331%0.31127%0.27SS..BIsolated β-bridgetrans-68.7119.7176.6-68.4-67.1000110.4C22 E32 H33 Y34 V79 T80C22-F30 PolarHBondContact O-N 3.21Å; F30-E32 VanDerWaalsContact C-N 3.33Å; F30-E32 PolarHBondContact O-N 2.92Å; F30-H33 HydrophobicContact CB-CB 4.36Å; F30-H33 PolarHBondContact O-N 3.07Å; F30-Y34 WeakPolarHBondContact O-CB 3.42Å; F30-Y34 PolarHBondContact O-N 2.95Å; F30-V79 HydrophobicContact CD1-CG1 4.29Å; F30-V79 HydrophobicContact CE1-CG1 4.45Å; F30-T80 HydrophobicContact CD1-CG2 3.89Å; F30-T80 HydrophobicContact CE1-CG2 4.03Å
31L97.7Very high93.5Very high0 Ų051 Ų510%025%0.248CC..Hα-helixtrans-67.8-34.7-173.5-176.960.9000112V29 Y34 V35 L66 L70 Y78 V79 I81 M84 L110V29-L31 PolarHBondContact O-N 3.22Å; L31-Y34 HydrophobicContact CD1-CD1 4.41Å; L31-Y34 PolarHBondContact O-N 3.29Å; L31-V35 HydrophobicContact CD1-CG2 4.25Å; L31-V35 HydrophobicContact CG-CG2 4.42Å; L31-V35 WeakPolarHBondContact O-CB 3.17Å; L31-V35 WeakPolarHBondContact O-CG2 3.29Å; L31-V35 PolarHBondContact O-N 3.46Å; L31-L66 HydrophobicContact CD1-CD1 4.25Å; L31-L70 HydrophobicContact CB-CD2 4.3Å; L31-L70 HydrophobicContact CD2-CD1 4.26Å; L31-L70 HydrophobicContact CD2-CD2 4.14Å; L31-L70 HydrophobicContact CD2-CG 3.95Å; L31-L70 HydrophobicContact CG-CD1 4.08Å; L31-L70 HydrophobicContact CG-CD2 4.36Å; L31-L70 HydrophobicContact CG-CG 4.27Å; L31-Y78 VanDerWaalsContact CB-O 3.25Å; L31-Y78 WeakPolarHBondContact CB-O 3.36Å; L31-Y78 HydrophobicContact CD2-CD1 4.14Å; L31-Y78 WeakPolarHBondContact CD2-O 3.48Å; L31-V79 PolarHBondContact N-O 3.39Å; L31-I81 HydrophobicContact CD1-CG1 4.33Å; L31-M84 HydrophobicContact CD2-SD 4.26Å; L31-L110 HydrophobicContact CD1-CD1 3.59Å
32E96.6Very high93.5Very high136 Ų13648.8 Ų48.864%0.63623%0.231SC*.Hα-helixtrans-58.1-49.7176.1-178.9177.3-170.100111.5F30 V35 A36F30-E32 VanDerWaalsContact C-N 3.33Å; F30-E32 PolarHBondContact O-N 2.92Å; E32-V35 PolarHBondContact O-N 3.34Å; E32-A36 WeakPolarHBondContact O-CB 3.4Å; E32-A36 PolarHBondContact O-N 3.3Å
33H96Very high93.4Very high65 Ų6553.1 Ų53.130%0.30125%0.248SC..Hα-helixtrans-68.2-39.3177.5-65.6-50.9000111.6T18 S21 C22 F30 V35 A36 G37T18-H33 WeakPolarHBondContact CG2-O 3.25Å; S21-H33 PolarHBondContact O-CD2 3.17Å; C22-H33 HydrophobicContact CB-CB 4.39Å; C22-H33 PolarHBondContact SG-O 3.5Å; F30-H33 HydrophobicContact CB-CB 4.36Å; F30-H33 PolarHBondContact O-N 3.07Å; H33-V35 VanDerWaalsContact C-N 3.31Å; H33-V35 PolarHBondContact O-N 2.99Å; H33-A36 PolarHBondContact O-N 2.96Å; H33-A36 VanDerWaalsContact O-N 3.16Å; H33-G37 PolarHBondContact O-N 3.4Å
34Y95.8Very high93.1Very high0 Ų051.7 Ų51.70%024%0.24CC..Hα-helixtrans-56.5-46.5174.4-176-88.8000111.7C22 V29 F30 L31 G37 W38 I81 L110 L113 H114 L117 V199C22-Y34 PolarHBondContact SG-N 3.44Å; C22-Y34 VanDerWaalsContact SG-N 3.39Å; V29-Y34 HydrophobicContact CG1-CD2 4.1Å; F30-Y34 WeakPolarHBondContact O-CB 3.42Å; F30-Y34 PolarHBondContact O-N 2.95Å; L31-Y34 HydrophobicContact CD1-CD1 4.41Å; L31-Y34 PolarHBondContact O-N 3.29Å; Y34-G37 PolarHBondContact O-N 3.41Å; Y34-W38 AromaticContact CD1-CD1 3.68Å; Y34-W38 AromaticContact CE1-CD1 3.21Å; Y34-W38 HydrophobicContact CE1-CG 4.47Å; Y34-W38 AromaticContact CE1-NE1 3.29Å; Y34-W38 VanDerWaalsContact CE1-NE1 3.29Å; Y34-W38 AromaticContact CZ-CD1 3.63Å; Y34-W38 AromaticContact CZ-NE1 3.26Å; Y34-W38 VanDerWaalsContact CZ-NE1 3.26Å; Y34-W38 PolarHBondContact O-N 2.91Å; Y34-W38 VanDerWaalsContact O-N 3.07Å; Y34-W38 PolarHBondContact OH-NE1 2.8Å; Y34-W38 VanDerWaalsContact OH-NE1 3.1Å; Y34-I81 HydrophobicContact CD2-CD1 4.14Å; Y34-I81 HydrophobicContact CE2-CD1 4.44Å; Y34-I81 HydrophobicContact CG-CD1 4.38Å; Y34-L110 HydrophobicContact CD1-CD1 4.41Å; Y34-L110 HydrophobicContact CE1-CD1 4.29Å; Y34-L110 HydrophobicContact CE1-CG 4.26Å; Y34-L113 HydrophobicContact CE1-CB 4.28Å; Y34-L113 HydrophobicContact CE1-CD1 4.42Å; Y34-H114 PolarHBondContact OH-N 2.84Å; Y34-L117 HydrophobicContact CE2-CD2 4.08Å; Y34-V199 HydrophobicContact CD2-CG1 3.87Å; Y34-V199 HydrophobicContact CE2-CG1 4.03Å
35V95.8Very high92.8Very high4 Ų451 Ų512%0.02424%0.235CC..Hα-helixtrans-65.7-41.7177.1167.30000111.6L31 E32 H33 G37 W38 R39 I63 L66 V67 L70L31-V35 HydrophobicContact CD1-CG2 4.25Å; L31-V35 HydrophobicContact CG-CG2 4.42Å; L31-V35 WeakPolarHBondContact O-CB 3.17Å; L31-V35 WeakPolarHBondContact O-CG2 3.29Å; L31-V35 PolarHBondContact O-N 3.46Å; E32-V35 PolarHBondContact O-N 3.34Å; H33-V35 VanDerWaalsContact C-N 3.31Å; H33-V35 PolarHBondContact O-N 2.99Å; V35-G37 VanDerWaalsContact C-N 3.32Å; V35-G37 PolarHBondContact O-N 3.49Å; V35-W38 WeakPolarHBondContact O-CB 3.17Å; V35-W38 PolarHBondContact O-N 3.39Å; V35-R39 WeakPolarHBondContact O-CG 3.28Å; V35-R39 PolarHBondContact O-N 3.19Å; V35-I63 HydrophobicContact CG1-CG2 3.71Å; V35-L66 HydrophobicContact CG2-CB 3.92Å; V35-L66 HydrophobicContact CG2-CD1 4.17Å; V35-V67 HydrophobicContact CG1-CG2 3.67Å; V35-L70 HydrophobicContact CG2-CD1 4.5Å
36A94.2Very high92.7Very high34 Ų3445 Ų4528%0.28121%0.209SC..Hα-helixtrans-62.2-40.2176.400000111.7T18 E32 H33 W38 R39 G40T18-A36 HydrophobicContact CG2-CB 3.53Å; E32-A36 WeakPolarHBondContact O-CB 3.4Å; E32-A36 PolarHBondContact O-N 3.3Å; H33-A36 PolarHBondContact O-N 2.96Å; H33-A36 VanDerWaalsContact O-N 3.16Å; A36-W38 VanDerWaalsContact C-N 3.34Å; A36-W38 PolarHBondContact O-N 3.33Å; A36-R39 WeakPolarHBondContact O-CB 3.39Å; A36-R39 PolarHBondContact O-N 3.35Å; A36-R39 VanDerWaalsContact O-N 3.15Å; A36-G40 PolarHBondContact O-N 2.95Å; A36-G40 VanDerWaalsContact O-N 3.08Å
37G93.1Very high92.4Very high0 Ų041 Ų410%020%0.197CC..Hα-helixtrans-60.8-46.3175.400000110.7H33 Y34 V35 R39 G40 L41H33-G37 PolarHBondContact O-N 3.4Å; Y34-G37 PolarHBondContact O-N 3.41Å; V35-G37 VanDerWaalsContact C-N 3.32Å; V35-G37 PolarHBondContact O-N 3.49Å; G37-R39 VanDerWaalsContact C-N 3.34Å; G37-R39 PolarHBondContact O-N 3.11Å; G37-G40 WeakPolarHBondContact O-CA 3.46Å; G37-G40 PolarHBondContact O-N 2.71Å; G37-G40 VanDerWaalsContact O-N 3.1Å; G37-L41 WeakPolarHBondContact O-CG 3.49Å; G37-L41 PolarHBondContact O-N 3.16Å
38W93.9Very high92Very high4 Ų437.1 Ų37.12%0.01518%0.181CC..Hα-helixtrans-59.1-37.4173.3-94.7106.2000114.3Y34 V35 A36 G40 L41 V42 A59 I63 L113 A116 L117Y34-W38 AromaticContact CD1-CD1 3.68Å; Y34-W38 AromaticContact CE1-CD1 3.21Å; Y34-W38 HydrophobicContact CE1-CG 4.47Å; Y34-W38 AromaticContact CE1-NE1 3.29Å; Y34-W38 VanDerWaalsContact CE1-NE1 3.29Å; Y34-W38 AromaticContact CZ-CD1 3.63Å; Y34-W38 AromaticContact CZ-NE1 3.26Å; Y34-W38 VanDerWaalsContact CZ-NE1 3.26Å; Y34-W38 PolarHBondContact O-N 2.91Å; Y34-W38 VanDerWaalsContact O-N 3.07Å; Y34-W38 PolarHBondContact OH-NE1 2.8Å; Y34-W38 VanDerWaalsContact OH-NE1 3.1Å; V35-W38 WeakPolarHBondContact O-CB 3.17Å; V35-W38 PolarHBondContact O-N 3.39Å; A36-W38 VanDerWaalsContact C-N 3.34Å; A36-W38 PolarHBondContact O-N 3.33Å; W38-G40 VanDerWaalsContact C-N 3.33Å; W38-L41 HydrophobicContact CD2-CD1 4.31Å; W38-L41 HydrophobicContact CE3-CB 4.38Å; W38-L41 HydrophobicContact CE3-CD1 4.27Å; W38-L41 PolarHBondContact O-N 3.2Å; W38-V42 WeakPolarHBondContact O-CG2 3.45Å; W38-V42 PolarHBondContact O-N 3.4Å; W38-A59 HydrophobicContact CE3-CB 4.43Å; W38-A59 HydrophobicContact CZ3-CB 4.35Å; W38-I63 HydrophobicContact CB-CD1 3.75Å; W38-I63 HydrophobicContact CB-CG1 3.9Å; W38-L113 HydrophobicContact CD2-CB 4.5Å; W38-L113 HydrophobicContact CD2-CD2 4.06Å; W38-L113 HydrophobicContact CE3-CD2 4.22Å; W38-L113 HydrophobicContact CG-CD1 4.41Å; W38-L113 HydrophobicContact CZ2-CB 4.13Å; W38-L113 HydrophobicContact CZ2-CD2 4.46Å; W38-L113 WeakPolarHBondContact CZ2-O 3.46Å; W38-A116 HydrophobicContact CH2-CB 3.64Å; W38-A116 HydrophobicContact CZ2-CB 4.22Å; W38-L117 HydrophobicContact CZ2-CB 3.69Å; W38-L117 HydrophobicContact CZ2-CD1 4Å; W38-L117 HydrophobicContact CZ2-CG 4.41Å
39R93.1Very high91.2Very high123 Ų12335.1 Ų35.146%0.46418%0.18SC..Hα-helixtrans-63.3-40.5173.5-71.1175.8-179.51770.8111.6V35 A36 G37 V42 R43 I63 V67V35-R39 WeakPolarHBondContact O-CG 3.28Å; V35-R39 PolarHBondContact O-N 3.19Å; A36-R39 WeakPolarHBondContact O-CB 3.39Å; A36-R39 PolarHBondContact O-N 3.35Å; A36-R39 VanDerWaalsContact O-N 3.15Å; G37-R39 VanDerWaalsContact C-N 3.34Å; G37-R39 PolarHBondContact O-N 3.11Å; R39-V42 PolarHBondContact O-N 2.61Å; R39-R43 WeakPolarHBondContact O-CG 3.43Å; R39-R43 PolarHBondContact O-N 3.44Å; R39-I63 HydrophobicContact CG-CG2 4.04Å; R39-V67 VanDerWaalsContact NH2-CG2 3.28Å
40G91.1Very high90.2Very high7 Ų739.9 Ų39.97%0.07221%0.213CC..Hα-helixtrans-60.5-48.217300000111.8F10 A36 G37 W38 V42 R43 F44F10-G40 WeakPolarHBondContact CE2-O 3.5Å; A36-G40 PolarHBondContact O-N 2.95Å; A36-G40 VanDerWaalsContact O-N 3.08Å; G37-G40 WeakPolarHBondContact O-CA 3.46Å; G37-G40 PolarHBondContact O-N 2.71Å; G37-G40 VanDerWaalsContact O-N 3.1Å; W38-G40 VanDerWaalsContact C-N 3.33Å; G40-V42 VanDerWaalsContact C-N 3.31Å; G40-V42 PolarHBondContact O-N 2.8Å; G40-R43 WeakPolarHBondContact O-CB 3.33Å; G40-R43 PolarHBondContact O-N 3.34Å; G40-R43 VanDerWaalsContact O-N 3.11Å; G40-F44 PolarHBondContact O-N 3.45Å
41L90Very high89Confident0 Ų038.9 Ų38.90%021%0.213CC..Hα-helixtrans-61.1-37.2176.5-63171.1000112.6V15 F19 G37 W38 F44 M45 L117 L120V15-L41 HydrophobicContact CG1-CD2 3.59Å; V15-L41 HydrophobicContact CG1-CG 4.12Å; V15-L41 HydrophobicContact CG2-CD2 4.34Å; F19-L41 HydrophobicContact CE2-CD1 3.92Å; F19-L41 HydrophobicContact CE2-CG 4.35Å; F19-L41 HydrophobicContact CZ-CD1 3.98Å; G37-L41 WeakPolarHBondContact O-CG 3.49Å; G37-L41 PolarHBondContact O-N 3.16Å; W38-L41 HydrophobicContact CD2-CD1 4.31Å; W38-L41 HydrophobicContact CE3-CB 4.38Å; W38-L41 HydrophobicContact CE3-CD1 4.27Å; W38-L41 PolarHBondContact O-N 3.2Å; L41-F44 WeakPolarHBondContact O-CB 3.33Å; L41-M45 WeakPolarHBondContact O-CG 3.19Å; L41-M45 PolarHBondContact O-N 3.18Å; L41-L117 HydrophobicContact CD1-CD1 3.86Å; L41-L120 HydrophobicContact CB-CD2 3.86Å; L41-L120 HydrophobicContact CD1-CD2 3.71Å; L41-L120 HydrophobicContact CD2-CD2 3.58Å; L41-L120 HydrophobicContact CG-CD2 3.87Å
42V90.8Very high87.8Confident10 Ų1039.1 Ų39.16%0.06121%0.214CC..Hα-helixtrans-66.1-42.5173.4165.10000111.6W38 R39 G40 M45 N46 A59 V60 I63W38-V42 WeakPolarHBondContact O-CG2 3.45Å; W38-V42 PolarHBondContact O-N 3.4Å; R39-V42 PolarHBondContact O-N 2.61Å; G40-V42 VanDerWaalsContact C-N 3.31Å; G40-V42 PolarHBondContact O-N 2.8Å; V42-M45 HydrophobicContact CB-CE 4.47Å; V42-M45 HydrophobicContact CG2-CE 3.96Å; V42-M45 PolarHBondContact O-N 3.08Å; V42-N46 WeakPolarHBondContact O-CB 3.49Å; V42-N46 PolarHBondContact O-N 3.11Å; V42-N46 PolarHBondContact O-ND2 3.02Å; V42-N46 PolarHBondContact O-OD1 2.83Å; V42-A59 HydrophobicContact CG2-CB 4.14Å; V42-V60 HydrophobicContact CG1-CG2 3.58Å; V42-V60 HydrophobicContact CG2-CG2 4.26Å; V42-I63 HydrophobicContact CG2-CD1 3.87Å
43R89.1Confident86.8Confident91 Ų9135 Ų3534%0.34320%0.201SC..Hα-helixtrans-60.2-46.6175.5-77173.366.2-144.20.1110.8L8 F10 E14 R39 G40 M45 N46 C47L8-R43 PolarHBondContact O-NH2 3.26Å; F10-R43 HydrophobicContact CB-CB 4.49Å; F10-R43 HydrophobicContact CD2-CB 3.78Å; F10-R43 HydrophobicContact CG-CB 4.41Å; E14-R43 IonicContact OE2-CZ 2.7Å; E14-R43 IonicContact OE2-NH1 3.54Å; E14-R43 PolarHBondContact OE2-NH1 2.9Å; E14-R43 IonicContact OE2-NH2 3.52Å; R39-R43 WeakPolarHBondContact O-CG 3.43Å; R39-R43 PolarHBondContact O-N 3.44Å; G40-R43 WeakPolarHBondContact O-CB 3.33Å; G40-R43 PolarHBondContact O-N 3.34Å; G40-R43 VanDerWaalsContact O-N 3.11Å; R43-M45 PolarHBondContact O-N 2.89Å; R43-N46 PolarHBondContact O-N 3.38Å; R43-C47 PolarHBondContact O-N 3.13Å; R43-C47 PolarHBondContact O-SG 3.36Å; R43-C47 VanDerWaalsContact O-SG 3.33Å
44F86.9Confident85.6Confident2 Ų239.8 Ų39.81%0.00922%0.221CC..Hα-helixtrans-50.9-55172.2171.5-118.5000111.8F10 G40 L41 N46 C47 L48 L124 F173 V176 M177F10-F44 HydrophobicContact CD1-CB 4.2Å; F10-F44 HydrophobicContact CD1-CD2 4.25Å; F10-F44 HydrophobicContact CD2-CB 4.36Å; F10-F44 HydrophobicContact CE1-CB 3.62Å; F10-F44 AromaticContact CE1-CD2 3.55Å; F10-F44 HydrophobicContact CE1-CD2 3.55Å; F10-F44 AromaticContact CE1-CG 3.99Å; F10-F44 HydrophobicContact CE1-CG 3.99Å; F10-F44 HydrophobicContact CE2-CB 3.79Å; F10-F44 HydrophobicContact CZ-CB 3.41Å; F10-F44 VanDerWaalsContact CZ-CB 3.41Å; F10-F44 HydrophobicContact CZ-CD2 4.09Å; F10-F44 HydrophobicContact CZ-CG 4.08Å; G40-F44 PolarHBondContact O-N 3.45Å; L41-F44 WeakPolarHBondContact O-CB 3.33Å; F44-N46 VanDerWaalsContact C-N 3.31Å; F44-N46 PolarHBondContact O-N 3.41Å; F44-C47 WeakPolarHBondContact O-CB 3.33Å; F44-C47 PolarHBondContact O-N 3.12Å; F44-C47 VanDerWaalsContact O-N 3.16Å; F44-L48 HydrophobicContact CE1-CD1 4.21Å; F44-L48 HydrophobicContact CZ-CD1 4.2Å; F44-L124 HydrophobicContact CE1-CD2 4.22Å; F44-L124 HydrophobicContact CZ-CD2 4.37Å; F44-F173 HydrophobicContact CE1-CE1 4.39Å; F44-F173 HydrophobicContact CE2-CD1 4.34Å; F44-F173 AromaticContact CZ-CD1 3.71Å; F44-F173 HydrophobicContact CZ-CD1 3.71Å; F44-F173 AromaticContact CZ-CE1 3.87Å; F44-F173 HydrophobicContact CZ-CE1 3.87Å; F44-V176 HydrophobicContact CD2-CG1 3.83Å; F44-V176 HydrophobicContact CE2-CG1 4.02Å; F44-M177 HydrophobicContact CD2-CG 4.35Å; F44-M177 HydrophobicContact CE2-CE 3.95Å; F44-M177 HydrophobicContact CE2-CG 3.71Å; F44-M177 HydrophobicContact CZ-CE 3.71Å; F44-M177 HydrophobicContact CZ-CG 4.44Å
45M85Confident84.6Confident8 Ų842.4 Ų42.44%0.03923%0.234CC..Hα-helixtrans-58.3-43.9-179.8-73.8-173.7-69.100111.5L41 V42 R43 C47 L48 F52 W119L41-M45 WeakPolarHBondContact O-CG 3.19Å; L41-M45 PolarHBondContact O-N 3.18Å; V42-M45 HydrophobicContact CB-CE 4.47Å; V42-M45 HydrophobicContact CG2-CE 3.96Å; V42-M45 PolarHBondContact O-N 3.08Å; R43-M45 PolarHBondContact O-N 2.89Å; M45-C47 VanDerWaalsContact C-N 3.27Å; M45-C47 PolarHBondContact O-N 2.88Å; M45-L48 WeakPolarHBondContact O-CB 3.49Å; M45-L48 PolarHBondContact O-N 3.01Å; M45-F52 HydrophobicContact CB-CB 4.25Å; M45-F52 HydrophobicContact CB-CD1 4.36Å; M45-F52 HydrophobicContact CG-CD1 4.44Å; M45-F52 WeakPolarHBondContact O-CB 3.46Å; M45-W119 HydrophobicContact SD-CH2 4.48Å; M45-W119 HydrophobicContact SD-CZ3 4.27Å
46N85.6Confident84.1Confident60 Ų6042.4 Ų42.432%0.32123%0.234SC..Hα-helixtrans-65.3-29.8-179.4-68.3-14.9000113.1V42 R43 F44 L48 G49 S53 S56V42-N46 WeakPolarHBondContact O-CB 3.49Å; V42-N46 PolarHBondContact O-N 3.11Å; V42-N46 PolarHBondContact O-ND2 3.02Å; V42-N46 PolarHBondContact O-OD1 2.83Å; R43-N46 PolarHBondContact O-N 3.38Å; F44-N46 VanDerWaalsContact C-N 3.31Å; F44-N46 PolarHBondContact O-N 3.41Å; N46-L48 PolarHBondContact O-N 2.92Å; N46-G49 PolarHBondContact O-N 3.48Å; N46-S53 VanDerWaalsContact OD1-CA 3.29Å; N46-S53 WeakPolarHBondContact OD1-CA 3.15Å; N46-S53 PolarHBondContact OD1-OG 3.26Å; N46-S56 PolarHBondContact OD1-OG 3.15Å
47C85.4Confident83.7Confident69 Ų6947 Ų4747%0.46625%0.248SC..Hα-helixtrans-68.6-17.2174.1-69.20000113.4R43 F44 M45 G49 V176R43-C47 PolarHBondContact O-N 3.13Å; R43-C47 PolarHBondContact O-SG 3.36Å; R43-C47 VanDerWaalsContact O-SG 3.33Å; F44-C47 WeakPolarHBondContact O-CB 3.33Å; F44-C47 PolarHBondContact O-N 3.12Å; F44-C47 VanDerWaalsContact O-N 3.16Å; M45-C47 VanDerWaalsContact C-N 3.27Å; M45-C47 PolarHBondContact O-N 2.88Å; C47-G49 VanDerWaalsContact C-N 3.28Å; C47-G49 PolarHBondContact O-N 3.04Å; C47-V176 HydrophobicContact CB-CB 4.47Å; C47-V176 HydrophobicContact CB-CG1 3.38Å; C47-V176 HydrophobicContact CB-CG2 4.29Å
48L81.5Confident83.6Confident21 Ų2151.3 Ų51.311%0.1127%0.271CS..THydrogen-bonded Turntrans-81.1-6.4176.4-58.2166.1000113.3F44 M45 N46 F52 P168 F173 V176F44-L48 HydrophobicContact CE1-CD1 4.21Å; F44-L48 HydrophobicContact CZ-CD1 4.2Å; M45-L48 WeakPolarHBondContact O-CB 3.49Å; M45-L48 PolarHBondContact O-N 3.01Å; N46-L48 PolarHBondContact O-N 2.92Å; L48-F52 HydrophobicContact CB-CB 4.46Å; L48-F52 HydrophobicContact CB-CD2 3.81Å; L48-F52 HydrophobicContact CB-CG 4.12Å; L48-F52 HydrophobicContact CD1-CD1 4.42Å; L48-F52 HydrophobicContact CD1-CD2 4.49Å; L48-F52 HydrophobicContact CD1-CG 4.36Å; L48-P168 HydrophobicContact CB-CG 4.49Å; L48-P168 HydrophobicContact CD2-CG 4.03Å; L48-F173 HydrophobicContact CD1-CD1 4.14Å; L48-F173 HydrophobicContact CD1-CE1 3.27Å; L48-F173 HydrophobicContact CD1-CZ 3.56Å; L48-F173 HydrophobicContact CD2-CD1 3.68Å; L48-F173 HydrophobicContact CD2-CD2 4.29Å; L48-F173 HydrophobicContact CD2-CE1 3.57Å; L48-F173 HydrophobicContact CD2-CE2 4.2Å; L48-F173 HydrophobicContact CD2-CG 4.04Å; L48-F173 HydrophobicContact CD2-CZ 3.83Å; L48-F173 HydrophobicContact CG-CE1 4.06Å; L48-F173 HydrophobicContact CG-CZ 4.28Å; L48-V176 HydrophobicContact CD2-CB 4.2Å; L48-V176 HydrophobicContact CD2-CG1 4.13Å; L48-V176 HydrophobicContact CD2-CG2 4.19Å; L48-V176 HydrophobicContact CG-CG1 4.48Å
49G78.3Confident83.6Confident32 Ų3251.6 Ų51.633%0.3327%0.274SS..  trans119.2177.2173.600000115N46 C47 V51 F52 S53N46-G49 PolarHBondContact O-N 3.48Å; C47-G49 VanDerWaalsContact C-N 3.28Å; C47-G49 PolarHBondContact O-N 3.04Å; G49-V51 VanDerWaalsContact C-N 3.29Å; G49-V51 PolarHBondContact O-N 3.44Å; G49-F52 PolarHBondContact O-N 3.02Å; G49-S53 PolarHBondContact O-N 3.41Å
50S75.6Confident83.7Confident100 Ų10048.7 Ų48.770%0.69927%0.27SS*.Hα-helixtrans-61.5-30.8-168.459.80000114.7F52 S53 F54S50-F52 VanDerWaalsContact C-N 3.3Å; S50-F52 PolarHBondContact O-N 2.66Å; S50-S53 PolarHBondContact O-N 2.81Å; S50-F54 PolarHBondContact O-N 2.98Å
51V73Confident83.9Confident50 Ų5052.4 Ų52.430%0.30329%0.288SS..Hα-helixtrans-61.8-41.3176.5174.70000110.6G49 F54 I55 A163 A166G49-V51 VanDerWaalsContact C-N 3.29Å; G49-V51 PolarHBondContact O-N 3.44Å; V51-F54 PolarHBondContact O-N 3.41Å; V51-I55 HydrophobicContact CG1-CD1 4.31Å; V51-I55 WeakPolarHBondContact O-CG1 3.15Å; V51-I55 PolarHBondContact O-N 3.21Å; V51-A163 HydrophobicContact CG1-CB 3.63Å; V51-A166 HydrophobicContact CB-CB 4.34Å; V51-A166 HydrophobicContact CG1-CB 4.31Å; V51-A166 HydrophobicContact CG2-CB 3.82Å
52F73.3Confident84.3Confident5 Ų554 Ų542%0.02230%0.295CS..Hα-helixtrans-73.1-30.6177.7-79.1-82.6000112.9M45 L48 G49 S50 F54 I55 S56 L167M45-F52 HydrophobicContact CB-CB 4.25Å; M45-F52 HydrophobicContact CB-CD1 4.36Å; M45-F52 HydrophobicContact CG-CD1 4.44Å; M45-F52 WeakPolarHBondContact O-CB 3.46Å; L48-F52 HydrophobicContact CB-CB 4.46Å; L48-F52 HydrophobicContact CB-CD2 3.81Å; L48-F52 HydrophobicContact CB-CG 4.12Å; L48-F52 HydrophobicContact CD1-CD1 4.42Å; L48-F52 HydrophobicContact CD1-CD2 4.49Å; L48-F52 HydrophobicContact CD1-CG 4.36Å; G49-F52 PolarHBondContact O-N 3.02Å; S50-F52 VanDerWaalsContact C-N 3.3Å; S50-F52 PolarHBondContact O-N 2.66Å; F52-F54 VanDerWaalsContact C-N 3.26Å; F52-F54 PolarHBondContact O-N 2.68Å; F52-I55 HydrophobicContact CD1-CD1 4.3Å; F52-I55 HydrophobicContact CE1-CD1 4.21Å; F52-I55 PolarHBondContact O-N 3.02Å; F52-S56 VanDerWaalsContact O-CB 3.29Å; F52-S56 WeakPolarHBondContact O-CB 3.36Å; F52-S56 PolarHBondContact O-N 3.08Å; F52-S56 PolarHBondContact O-OG 2.95Å; F52-L167 HydrophobicContact CE1-CD2 4.04Å; F52-L167 HydrophobicContact CE2-CD2 3.37Å; F52-L167 HydrophobicContact CE2-CG 3.81Å; F52-L167 HydrophobicContact CZ-CD1 4.28Å; F52-L167 HydrophobicContact CZ-CD2 3.05Å; F52-L167 HydrophobicContact CZ-CG 3.54Å
53S74.8Confident84.6Confident50 Ų5054 Ų5435%0.3529%0.294SS..Hα-helixtrans-63.4-31.7171.6-53.80000113.2N46 G49 S50 S56 K57N46-S53 VanDerWaalsContact OD1-CA 3.29Å; N46-S53 WeakPolarHBondContact OD1-CA 3.15Å; N46-S53 PolarHBondContact OD1-OG 3.26Å; G49-S53 PolarHBondContact O-N 3.41Å; S50-S53 PolarHBondContact O-N 2.81Å; S53-S56 PolarHBondContact O-OG 3.37Å; S53-K57 PolarHBondContact O-N 3.3Å
54F71.4Confident85.1Confident166 Ų16654 Ų5473%0.72830%0.299SS*.Hα-helixtrans-70.3-43.4172.7178.6-98.4000111.7S50 V51 F52 K57S50-F54 PolarHBondContact O-N 2.98Å; V51-F54 PolarHBondContact O-N 3.41Å; F52-F54 VanDerWaalsContact C-N 3.26Å; F52-F54 PolarHBondContact O-N 2.68Å; F54-K57 WeakPolarHBondContact O-CB 3.26Å; F54-K57 PolarHBondContact O-N 3.48Å
55I73.8Confident85.6Confident55 Ų5555.2 Ų55.228%0.28231%0.305SS..Hα-helixtrans-66.4-42179.9-61.7167.2000111V51 F52 K57 A163V51-I55 HydrophobicContact CG1-CD1 4.31Å; V51-I55 WeakPolarHBondContact O-CG1 3.15Å; V51-I55 PolarHBondContact O-N 3.21Å; F52-I55 HydrophobicContact CD1-CD1 4.3Å; F52-I55 HydrophobicContact CE1-CD1 4.21Å; F52-I55 PolarHBondContact O-N 3.02Å; I55-K57 PolarHBondContact O-N 3.23Å; I55-A163 HydrophobicContact CD1-CB 3.85Å
56S85.5Confident86.2Confident4 Ų454.8 Ų54.83%0.02830%0.303CS..Hα-helixtrans-71.8-15.5-176.7720000113.3N46 F52 S53 D58 A59 V60N46-S56 PolarHBondContact OD1-OG 3.15Å; F52-S56 VanDerWaalsContact O-CB 3.29Å; F52-S56 WeakPolarHBondContact O-CB 3.36Å; F52-S56 PolarHBondContact O-N 3.08Å; F52-S56 PolarHBondContact O-OG 2.95Å; S53-S56 PolarHBondContact O-OG 3.37Å; S56-D58 VanDerWaalsContact C-N 3.27Å; S56-D58 PolarHBondContact O-N 2.84Å; S56-A59 WeakPolarHBondContact O-CA 3.17Å; S56-A59 WeakPolarHBondContact O-CB 3.49Å; S56-A59 PolarHBondContact O-N 3.47Å; S56-V60 WeakPolarHBondContact O-CG2 3.3Å; S56-V60 PolarHBondContact O-N 2.78Å
57K86.9Confident86.8Confident131 Ų13152.6 Ų52.657%0.5729%0.292SS*.Hα-helixtrans-56.9-38.3-179.7-172.2174.6-179.1177.20113S53 F54 I55 V60 N61S53-K57 PolarHBondContact O-N 3.3Å; F54-K57 WeakPolarHBondContact O-CB 3.26Å; F54-K57 PolarHBondContact O-N 3.48Å; I55-K57 PolarHBondContact O-N 3.23Å; K57-V60 PolarHBondContact O-N 3.3Å; K57-N61 VanDerWaalsContact O-CG 3.31Å; K57-N61 PolarHBondContact O-N 3.38Å
58D89.9Confident87.5Confident89 Ų8953.7 Ų53.748%0.47629%0.293SS..Hα-helixtrans-66.6-40.2177.3-173.866.9000111.9S56 N61 K62S56-D58 VanDerWaalsContact C-N 3.27Å; S56-D58 PolarHBondContact O-N 2.84Å; D58-N61 PolarHBondContact O-N 3.23Å; D58-K62 WeakPolarHBondContact O-CG 3.49Å; D58-K62 PolarHBondContact O-N 3.37Å; D58-K62 VanDerWaalsContact O-N 3.14Å; D58-K62 IonicContact OD1-NZ 2.67Å; D58-K62 PolarHBondContact OD1-NZ 3.08Å; D58-K62 WeakPolarHBondContact OD2-CE 3.23Å; D58-K62 IonicContact OD2-NZ 3.76Å; D58-K62 PolarHBondContact OD2-NZ 2.71Å
59A94.1Very high88.3Confident10 Ų1055.1 Ų55.18%0.08330%0.299CS..Hα-helixtrans-65.3-43.2174.200000111.5W38 V42 S56 N61 K62 I63 L113W38-A59 HydrophobicContact CE3-CB 4.43Å; W38-A59 HydrophobicContact CZ3-CB 4.35Å; V42-A59 HydrophobicContact CG2-CB 4.14Å; S56-A59 WeakPolarHBondContact O-CA 3.17Å; S56-A59 WeakPolarHBondContact O-CB 3.49Å; S56-A59 PolarHBondContact O-N 3.47Å; A59-N61 VanDerWaalsContact C-N 3.33Å; A59-N61 PolarHBondContact O-N 2.75Å; A59-K62 PolarHBondContact O-N 3.07Å; A59-K62 VanDerWaalsContact O-N 3.17Å; A59-I63 WeakPolarHBondContact O-CB 3.35Å; A59-I63 WeakPolarHBondContact O-CD1 3.42Å; A59-I63 VanDerWaalsContact O-CG1 3.24Å; A59-I63 WeakPolarHBondContact O-CG1 3.43Å; A59-I63 PolarHBondContact O-N 3.14Å; A59-L113 HydrophobicContact CB-CD2 3.93Å
60V95.3Very high89.1Confident62 Ų6255.4 Ų55.438%0.37629%0.293SS..Hα-helixtrans-55.9-46.7175171.10000111.5V42 S56 K57 K62 I63 Q64V42-V60 HydrophobicContact CG1-CG2 3.58Å; V42-V60 HydrophobicContact CG2-CG2 4.26Å; S56-V60 WeakPolarHBondContact O-CG2 3.3Å; S56-V60 PolarHBondContact O-N 2.78Å; K57-V60 PolarHBondContact O-N 3.3Å; V60-K62 VanDerWaalsContact C-N 3.35Å; V60-K62 PolarHBondContact O-N 3.08Å; V60-I63 WeakPolarHBondContact O-CB 3.49Å; V60-I63 PolarHBondContact O-N 2.93Å; V60-Q64 PolarHBondContact O-N 3.23Å
61N96.4Very high90.2Very high86 Ų8656.9 Ų56.946%0.4629%0.292SS..Hα-helixtrans-61.8-43178-71.1-14.4000111.7K57 D58 A59 Q64 I65K57-N61 VanDerWaalsContact O-CG 3.31Å; K57-N61 PolarHBondContact O-N 3.38Å; D58-N61 PolarHBondContact O-N 3.23Å; A59-N61 VanDerWaalsContact C-N 3.33Å; A59-N61 PolarHBondContact O-N 2.75Å; N61-Q64 WeakPolarHBondContact O-CB 3.48Å; N61-Q64 PolarHBondContact O-N 2.89Å; N61-I65 WeakPolarHBondContact O-CG1 3.43Å; N61-I65 PolarHBondContact O-N 3.07Å
62K97.5Very high91.3Very high33 Ų3356.2 Ų56.214%0.14330%0.296CS..Hα-helixtrans-67.7-40.4179.4-72.5168.417254.90112.7D58 A59 V60 Q64 I65 L66 T109 R112 L113D58-K62 WeakPolarHBondContact O-CG 3.49Å; D58-K62 PolarHBondContact O-N 3.37Å; D58-K62 VanDerWaalsContact O-N 3.14Å; D58-K62 IonicContact OD1-NZ 2.67Å; D58-K62 PolarHBondContact OD1-NZ 3.08Å; D58-K62 WeakPolarHBondContact OD2-CE 3.23Å; D58-K62 IonicContact OD2-NZ 3.76Å; D58-K62 PolarHBondContact OD2-NZ 2.71Å; A59-K62 PolarHBondContact O-N 3.07Å; A59-K62 VanDerWaalsContact O-N 3.17Å; V60-K62 VanDerWaalsContact C-N 3.35Å; V60-K62 PolarHBondContact O-N 3.08Å; K62-Q64 VanDerWaalsContact C-N 3.27Å; K62-Q64 PolarHBondContact O-N 3.23Å; K62-I65 PolarHBondContact O-N 3.37Å; K62-L66 PolarHBondContact O-N 3.36Å; K62-L66 VanDerWaalsContact O-N 3.07Å; K62-T109 HydrophobicContact CB-CG2 3.78Å; K62-T109 HydrophobicContact CG-CG2 4.01Å; K62-T109 WeakPolarHBondContact O-CG2 3.37Å; K62-R112 HydrophobicContact CD-CB 3.56Å; K62-R112 HydrophobicContact CD-CG 4.41Å; K62-R112 VanDerWaalsContact CE-CG 3.48Å; K62-L113 HydrophobicContact CB-CD1 4.09Å; K62-L113 HydrophobicContact CB-CD2 3.88Å; K62-L113 HydrophobicContact CB-CG 3.85Å; K62-L113 HydrophobicContact CD-CD2 4.29Å; K62-L113 HydrophobicContact CD-CG 4.39Å
63I97.8Very high92.4Very high9 Ų965.4 Ų65.45%0.04634%0.339CS..Hα-helixtrans-54.4-48.7169.9-73.8161.5000109.4V35 W38 R39 V42 A59 V60 I65 L66 V67 L113V35-I63 HydrophobicContact CG1-CG2 3.71Å; W38-I63 HydrophobicContact CB-CD1 3.75Å; W38-I63 HydrophobicContact CB-CG1 3.9Å; R39-I63 HydrophobicContact CG-CG2 4.04Å; V42-I63 HydrophobicContact CG2-CD1 3.87Å; A59-I63 WeakPolarHBondContact O-CB 3.35Å; A59-I63 WeakPolarHBondContact O-CD1 3.42Å; A59-I63 VanDerWaalsContact O-CG1 3.24Å; A59-I63 WeakPolarHBondContact O-CG1 3.43Å; A59-I63 PolarHBondContact O-N 3.14Å; V60-I63 WeakPolarHBondContact O-CB 3.49Å; V60-I63 PolarHBondContact O-N 2.93Å; I63-I65 VanDerWaalsContact C-N 3.34Å; I63-I65 PolarHBondContact O-N 2.84Å; I63-L66 PolarHBondContact O-N 3.34Å; I63-V67 HydrophobicContact CG2-CG2 4.31Å; I63-V67 WeakPolarHBondContact O-CG2 3.45Å; I63-V67 PolarHBondContact O-N 3.5Å; I63-L113 HydrophobicContact CG1-CD1 4.15Å
64Q98.1Very high93.4Very high93 Ų9366.5 Ų66.544%0.43534%0.341SS..Hα-helixtrans-63-38.8-179.4-170.459.15400112.6V60 N61 K62 V67 N68V60-Q64 PolarHBondContact O-N 3.23Å; N61-Q64 WeakPolarHBondContact O-CB 3.48Å; N61-Q64 PolarHBondContact O-N 2.89Å; K62-Q64 VanDerWaalsContact C-N 3.27Å; K62-Q64 PolarHBondContact O-N 3.23Å; Q64-V67 PolarHBondContact O-N 3.31Å; Q64-N68 PolarHBondContact NE2-OD1 3.44Å; Q64-N68 PolarHBondContact O-N 2.97Å; Q64-N68 PolarHBondContact O-ND2 3.36Å; Q64-N68 PolarHBondContact O-OD1 3.32Å
65I98.4Very high94.6Very high26 Ų2659.1 Ų59.113%0.13331%0.312CS..Hα-helixtrans-60.2-47.2174.7-68.3164.1000110.9N61 K62 I63 V67 N68 H69 E104 T109N61-I65 WeakPolarHBondContact O-CG1 3.43Å; N61-I65 PolarHBondContact O-N 3.07Å; K62-I65 PolarHBondContact O-N 3.37Å; I63-I65 VanDerWaalsContact C-N 3.34Å; I63-I65 PolarHBondContact O-N 2.84Å; I65-V67 VanDerWaalsContact C-N 3.33Å; I65-V67 PolarHBondContact O-N 2.82Å; I65-N68 WeakPolarHBondContact O-CB 3.47Å; I65-N68 PolarHBondContact O-N 3.26Å; I65-N68 VanDerWaalsContact O-N 3.17Å; I65-H69 PolarHBondContact O-CD2 3.16Å; I65-H69 VanDerWaalsContact O-CD2 3.29Å; I65-H69 PolarHBondContact O-N 3.26Å; I65-H69 VanDerWaalsContact O-N 3.07Å; I65-E104 HydrophobicContact CD1-CB 4.33Å; I65-E104 HydrophobicContact CD1-CG 4.13Å; I65-E104 HydrophobicContact CG2-CB 4.2Å; I65-T109 HydrophobicContact CB-CG2 3.9Å; I65-T109 HydrophobicContact CD1-CG2 4.38Å; I65-T109 HydrophobicContact CG2-CG2 3.82Å
66L98.5Very high95.8Very high0 Ų060.5 Ų60.50%033%0.331CS..Hα-helixtrans-64.7-37178.3-65.3174.3000112.4L31 V35 K62 I63 N68 H69 L70 M84 T109 L110 L113L31-L66 HydrophobicContact CD1-CD1 4.25Å; V35-L66 HydrophobicContact CG2-CB 3.92Å; V35-L66 HydrophobicContact CG2-CD1 4.17Å; K62-L66 PolarHBondContact O-N 3.36Å; K62-L66 VanDerWaalsContact O-N 3.07Å; I63-L66 PolarHBondContact O-N 3.34Å; L66-N68 VanDerWaalsContact C-N 3.32Å; L66-N68 PolarHBondContact O-N 2.89Å; L66-H69 PolarHBondContact O-N 3.48Å; L66-L70 WeakPolarHBondContact O-CG 3.43Å; L66-L70 PolarHBondContact O-N 3.24Å; L66-M84 HydrophobicContact CD2-SD 4.47Å; L66-T109 HydrophobicContact CD1-CG2 4.48Å; L66-T109 HydrophobicContact CD2-CG2 4.08Å; L66-T109 HydrophobicContact CG-CG2 3.89Å; L66-L110 HydrophobicContact CD1-CB 4.25Å; L66-L110 HydrophobicContact CD1-CD1 4.44Å; L66-L110 HydrophobicContact CD2-CB 4.23Å; L66-L113 HydrophobicContact CD1-CD1 3.62Å
67V98.2Very high96.4Very high14 Ų1464.2 Ų64.29%0.08535%0.348CS..Hα-helixtrans-63.7-38.5173.7172.90000111.4V35 R39 I63 Q64 I65 H69 L70 N71V35-V67 HydrophobicContact CG1-CG2 3.67Å; R39-V67 VanDerWaalsContact NH2-CG2 3.28Å; I63-V67 HydrophobicContact CG2-CG2 4.31Å; I63-V67 WeakPolarHBondContact O-CG2 3.45Å; I63-V67 PolarHBondContact O-N 3.5Å; Q64-V67 PolarHBondContact O-N 3.31Å; I65-V67 VanDerWaalsContact C-N 3.33Å; I65-V67 PolarHBondContact O-N 2.82Å; V67-H69 VanDerWaalsContact C-N 3.33Å; V67-L70 PolarHBondContact O-N 3.42Å; V67-N71 VanDerWaalsContact CG1-ND2 3.35Å; V67-N71 WeakPolarHBondContact CG1-ND2 3.31Å; V67-N71 WeakPolarHBondContact O-CB 3.24Å; V67-N71 PolarHBondContact O-N 3.43Å; V67-N71 PolarHBondContact O-ND2 3.11Å; V67-N71 VanDerWaalsContact O-ND2 3.13Å
68N98.4Very high96.9Very high91 Ų9158.2 Ų58.249%0.48732%0.322SS..Hα-helixtrans-66.3-37.8177-66.8-11.3000111.3Q64 I65 L66 G72Q64-N68 PolarHBondContact NE2-OD1 3.44Å; Q64-N68 PolarHBondContact O-N 2.97Å; Q64-N68 PolarHBondContact O-ND2 3.36Å; Q64-N68 PolarHBondContact O-OD1 3.32Å; I65-N68 WeakPolarHBondContact O-CB 3.47Å; I65-N68 PolarHBondContact O-N 3.26Å; I65-N68 VanDerWaalsContact O-N 3.17Å; L66-N68 VanDerWaalsContact C-N 3.32Å; L66-N68 PolarHBondContact O-N 2.89Å; N68-G72 WeakPolarHBondContact O-CA 3.45Å; N68-G72 PolarHBondContact O-N 2.77Å
69H98.2Very high97.3Very high51 Ų5157.7 Ų57.724%0.23632%0.322CS..Hα-helixtrans-65.7-46.3173.1-75.2-59.5000112.1I65 L66 V67 N71 G72 G75 Y78 E104I65-H69 PolarHBondContact O-CD2 3.16Å; I65-H69 VanDerWaalsContact O-CD2 3.29Å; I65-H69 PolarHBondContact O-N 3.26Å; I65-H69 VanDerWaalsContact O-N 3.07Å; L66-H69 PolarHBondContact O-N 3.48Å; V67-H69 VanDerWaalsContact C-N 3.33Å; H69-N71 VanDerWaalsContact C-N 3.28Å; H69-N71 PolarHBondContact O-N 2.72Å; H69-G72 PolarHBondContact O-N 3.13Å; H69-G72 VanDerWaalsContact O-N 3.16Å; H69-G75 WeakPolarHBondContact O-CA 3.24Å; H69-Y78 HydrophobicContact CB-CD1 3.57Å; H69-Y78 HydrophobicContact CB-CD2 4.12Å; H69-Y78 HydrophobicContact CB-CE1 3.5Å; H69-Y78 VanDerWaalsContact CB-CE1 3.5Å; H69-Y78 HydrophobicContact CB-CE2 4.08Å; H69-Y78 HydrophobicContact CB-CG 3.89Å; H69-Y78 AromaticContact CG-CE1 3.65Å; H69-Y78 AromaticContact CG-CZ 3.77Å; H69-Y78 AromaticContact ND1-CZ 3.65Å; H69-Y78 PolarHBondContact ND1-OH 2.89Å; H69-E104 PolarHBondContact NE2-O 3.01Å
70L97Very high97.5Very high39 Ų3957.5 Ų57.520%0.20432%0.319CS..Hα-helixtrans-55.1-41.8175.3-83.7166.1000112.8L31 V35 L66 V67 G75 Y78L31-L70 HydrophobicContact CB-CD2 4.3Å; L31-L70 HydrophobicContact CD2-CD1 4.26Å; L31-L70 HydrophobicContact CD2-CD2 4.14Å; L31-L70 HydrophobicContact CD2-CG 3.95Å; L31-L70 HydrophobicContact CG-CD1 4.08Å; L31-L70 HydrophobicContact CG-CD2 4.36Å; L31-L70 HydrophobicContact CG-CG 4.27Å; V35-L70 HydrophobicContact CG2-CD1 4.5Å; L66-L70 WeakPolarHBondContact O-CG 3.43Å; L66-L70 PolarHBondContact O-N 3.24Å; V67-L70 PolarHBondContact O-N 3.42Å; L70-G75 VanDerWaalsContact O-CA 3.29Å; L70-G75 WeakPolarHBondContact O-CA 3.43Å; L70-Y78 WeakPolarHBondContact CD2-O 3.38Å
71N97.4Very high97.7Very high130 Ų13054.5 Ų54.570%0.69530%0.301SS*.THydrogen-bonded Turntrans-93.20.9-177.9-65-39000113.7V67 H69V67-N71 VanDerWaalsContact CG1-ND2 3.35Å; V67-N71 WeakPolarHBondContact CG1-ND2 3.31Å; V67-N71 WeakPolarHBondContact O-CB 3.24Å; V67-N71 PolarHBondContact O-N 3.43Å; V67-N71 PolarHBondContact O-ND2 3.11Å; V67-N71 VanDerWaalsContact O-ND2 3.13Å; H69-N71 VanDerWaalsContact C-N 3.28Å; H69-N71 PolarHBondContact O-N 2.72Å
72G96.3Very high97.8Very high37 Ų3752.3 Ų52.338%0.38129%0.288SS..SBendtrans-82.1178.4-177.100000112.9N68 H69 N74 G75N68-G72 WeakPolarHBondContact O-CA 3.45Å; N68-G72 PolarHBondContact O-N 2.77Å; H69-G72 PolarHBondContact O-N 3.13Å; H69-G72 VanDerWaalsContact O-N 3.16Å; G72-N74 PolarHBondContact O-N 3.13Å; G72-G75 PolarHBondContact O-N 2.81Å
73E95.9Very high97.8Very high197 Ų19752.4 Ų52.492%0.92129%0.293SS*.THydrogen-bonded Turntrans-55.4-35.1177.7-173.9175.1-172.300112.6
74N96.8Very high97.9Very high73 Ų7352 Ų5239%0.3929%0.291SS..THydrogen-bonded Turntrans-93.312.6179.2-62.1-50.3000113.6G72 A76 H77 Y78 Y87G72-N74 PolarHBondContact O-N 3.13Å; N74-A76 PolarHBondContact O-N 3.23Å; N74-H77 WeakPolarHBondContact O-CB 3.29Å; N74-H77 PolarHBondContact O-N 2.98Å; N74-Y78 HydrophobicContact CB-CE2 4.25Å; N74-Y78 WeakPolarHBondContact O-CD2 3.24Å; N74-Y87 HydrophobicContact CB-CE1 4.21Å; N74-Y87 PolarHBondContact ND2-OH 3.36Å; N74-Y87 VanDerWaalsContact ND2-OH 3.14Å; N74-Y87 PolarHBondContact OD1-OH 3.13Å
75G97.3Very high97.9Very high11 Ų1147.6 Ų47.611%0.11327%0.271CS..G310 helixtrans-55-27.6-172.200000115.2H69 L70 G72 H77 Y78H69-G75 WeakPolarHBondContact O-CA 3.24Å; L70-G75 VanDerWaalsContact O-CA 3.29Å; L70-G75 WeakPolarHBondContact O-CA 3.43Å; G72-G75 PolarHBondContact O-N 2.81Å; G75-H77 PolarHBondContact O-N 3.46Å; G75-Y78 PolarHBondContact O-N 3.23Å
76A97.8Very high97.9Very high84 Ų8452.4 Ų52.469%0.69429%0.291SS*.G310 helixtrans-60.8-22.8174.100000113.7N74 V79N74-A76 PolarHBondContact O-N 3.23Å; A76-V79 WeakPolarHBondContact O-CG2 3.24Å
77H98.4Very high97.9Very high82 Ų8254 Ų5438%0.3830%0.297SS..G310 helixtrans-86.9-5.9174.5-62.7-60.9000113.6N74 G75 S83 M84 Y87N74-H77 WeakPolarHBondContact O-CB 3.29Å; N74-H77 PolarHBondContact O-N 2.98Å; G75-H77 PolarHBondContact O-N 3.46Å; H77-S83 CarbonylContact O-C 3.18Å; H77-S83 PolarHBondContact O-OG 3.4Å; H77-S83 VanDerWaalsContact O-OG 3.09Å; H77-M84 WeakPolarHBondContact O-CA 3.43Å; H77-M84 PolarHBondContact O-N 3.46Å; H77-Y87 HydrophobicContact CB-CD1 3.67Å; H77-Y87 HydrophobicContact CB-CD2 3.94Å; H77-Y87 HydrophobicContact CB-CE1 4.27Å; H77-Y87 HydrophobicContact CB-CG 3.47Å; H77-Y87 VanDerWaalsContact CB-CG 3.47Å; H77-Y87 AromaticContact CD2-CD2 3.5Å; H77-Y87 VanDerWaalsContact CD2-CD2 3.5Å; H77-Y87 WeakPolarHBondContact CD2-CD2 3.41Å; H77-Y87 AromaticContact CD2-CE2 3.46Å; H77-Y87 VanDerWaalsContact CD2-CE2 3.46Å; H77-Y87 WeakPolarHBondContact CD2-CE2 3.19Å; H77-Y87 AromaticContact CD2-CG 3.98Å; H77-Y87 AromaticContact CD2-CZ 3.92Å; H77-Y87 AromaticContact CG-CD2 3.47Å; H77-Y87 VanDerWaalsContact CG-CD2 3.47Å; H77-Y87 AromaticContact CG-CE2 3.93Å; H77-Y87 AromaticContact CG-CG 3.57Å; H77-Y87 AromaticContact ND1-CD2 3.81Å; H77-Y87 AromaticContact NE2-CD2 3.86Å; H77-Y87 AromaticContact NE2-CE2 3.83Å
78Y98.3Very high98Very high6 Ų653.5 Ų53.52%0.02429%0.293CS..  trans-10816-177.5-70.4-94.9000112.4L31 H69 L70 N74 G75 M84 Y87 E88L31-Y78 VanDerWaalsContact CB-O 3.25Å; L31-Y78 WeakPolarHBondContact CB-O 3.36Å; L31-Y78 HydrophobicContact CD2-CD1 4.14Å; L31-Y78 WeakPolarHBondContact CD2-O 3.48Å; H69-Y78 HydrophobicContact CB-CD1 3.57Å; H69-Y78 HydrophobicContact CB-CD2 4.12Å; H69-Y78 HydrophobicContact CB-CE1 3.5Å; H69-Y78 VanDerWaalsContact CB-CE1 3.5Å; H69-Y78 HydrophobicContact CB-CE2 4.08Å; H69-Y78 HydrophobicContact CB-CG 3.89Å; H69-Y78 AromaticContact CG-CE1 3.65Å; H69-Y78 AromaticContact CG-CZ 3.77Å; H69-Y78 AromaticContact ND1-CZ 3.65Å; H69-Y78 PolarHBondContact ND1-OH 2.89Å; L70-Y78 WeakPolarHBondContact CD2-O 3.38Å; N74-Y78 HydrophobicContact CB-CE2 4.25Å; N74-Y78 WeakPolarHBondContact O-CD2 3.24Å; G75-Y78 PolarHBondContact O-N 3.23Å; Y78-M84 HydrophobicContact CD1-CB 4.01Å; Y78-M84 HydrophobicContact CD1-CG 3.47Å; Y78-M84 VanDerWaalsContact CD1-CG 3.47Å; Y78-M84 HydrophobicContact CD1-SD 3.68Å; Y78-M84 HydrophobicContact CE1-CB 4.38Å; Y78-M84 HydrophobicContact CE1-CG 3.44Å; Y78-M84 VanDerWaalsContact CE1-CG 3.44Å; Y78-M84 HydrophobicContact CE1-SD 3.78Å; Y78-M84 HydrophobicContact CG-CG 4.43Å; Y78-Y87 HydrophobicContact CE2-CD1 4.15Å; Y78-Y87 HydrophobicContact CE2-CE1 4.03Å; Y78-E88 WeakPolarHBondContact CE1-OE1 3.37Å; Y78-E88 PolarHBondContact OH-OE1 3.36Å
79V97.8Very high98Very high77 Ų7751.3 Ų51.347%0.46728%0.282SS..SBendtrans-63.8-46.7-179.3177.30000111.1F30 L31 A76F30-V79 HydrophobicContact CD1-CG1 4.29Å; F30-V79 HydrophobicContact CE1-CG1 4.45Å; L31-V79 PolarHBondContact N-O 3.39Å; A76-V79 WeakPolarHBondContact O-CG2 3.24Å
80T98.5Very high98Very high6 Ų654 Ų544%0.03730%0.298CS..BIsolated β-bridgetrans-121153.4174.969.60000110.9E28 V29 F30 Q82 S83 M84E28-T80 HydrophobicContact CB-CG2 3.97Å; V29-T80 CarbonylContact O-C 3.51Å; V29-T80 WeakPolarHBondContact O-CA 3.28Å; V29-T80 WeakPolarHBondContact O-CB 3.44Å; F30-T80 HydrophobicContact CD1-CG2 3.89Å; F30-T80 HydrophobicContact CE1-CG2 4.03Å; T80-Q82 PolarHBondContact O-N 2.87Å; T80-S83 PolarHBondContact N-OG 2.55Å; T80-S83 PolarHBondContact O-N 3.22Å; T80-S83 PolarHBondContact O-OG 3.44Å; T80-S83 WeakPolarHBondContact OG1-CB 3.38Å; T80-S83 PolarHBondContact OG1-N 3.04Å; T80-S83 PolarHBondContact OG1-OG 3.43Å; T80-M84 PolarHBondContact O-N 3.42Å
81I98.6Very high98Very high0 Ų054.8 Ų54.80%031%0.307CS..Hα-helixtrans-56.3-38.3174-58.8-177.9000110.2V29 L31 Y34 M84 V85 L110 T203 L206 Y207V29-I81 HydrophobicContact CB-CB 4.38Å; V29-I81 HydrophobicContact CB-CD1 3.72Å; V29-I81 HydrophobicContact CB-CG1 3.97Å; V29-I81 HydrophobicContact CG1-CD1 3.45Å; V29-I81 VanDerWaalsContact CG1-CD1 3.45Å; V29-I81 HydrophobicContact CG1-CG1 4Å; V29-I81 HydrophobicContact CG2-CD1 4.49Å; V29-I81 PolarHBondContact O-N 2.87Å; L31-I81 HydrophobicContact CD1-CG1 4.33Å; Y34-I81 HydrophobicContact CD2-CD1 4.14Å; Y34-I81 HydrophobicContact CE2-CD1 4.44Å; Y34-I81 HydrophobicContact CG-CD1 4.38Å; I81-M84 HydrophobicContact CG2-CE 4.12Å; I81-M84 WeakPolarHBondContact O-CB 3.4Å; I81-M84 PolarHBondContact O-N 2.87Å; I81-V85 HydrophobicContact CG2-CG2 4.28Å; I81-V85 WeakPolarHBondContact O-CB 3.35Å; I81-V85 VanDerWaalsContact O-CG2 3.3Å; I81-V85 WeakPolarHBondContact O-CG2 3.29Å; I81-V85 PolarHBondContact O-N 2.94Å; I81-L110 HydrophobicContact CB-CD1 4.49Å; I81-L110 HydrophobicContact CD1-CD1 3.59Å; I81-L110 HydrophobicContact CD1-CD2 4.18Å; I81-L110 HydrophobicContact CD1-CG 4.49Å; I81-L110 HydrophobicContact CG1-CD1 3.67Å; I81-L110 HydrophobicContact CG2-CD1 4.11Å; I81-L110 HydrophobicContact CG2-CD2 4.24Å; I81-T203 HydrophobicContact CD1-CG2 4.23Å; I81-T203 HydrophobicContact CG2-CG2 4.48Å; I81-L206 HydrophobicContact CB-CD2 4.34Å; I81-L206 HydrophobicContact CG2-CD2 3.68Å; I81-Y207 HydrophobicContact CG2-CE2 4.11Å
82Q98.6Very high98Very high39 Ų3956.3 Ų56.318%0.18231%0.31CS..Hα-helixtrans-59.8-51.3176.5-68.776.5-0.500111.7K27 T80 M84 V85 K86 L206K27-Q82 PolarHBondContact O-NE2 3.22Å; T80-Q82 PolarHBondContact O-N 2.87Å; Q82-M84 VanDerWaalsContact C-N 3.3Å; Q82-M84 PolarHBondContact O-N 3.06Å; Q82-V85 PolarHBondContact O-N 3.15Å; Q82-K86 WeakPolarHBondContact O-CB 3.38Å; Q82-K86 PolarHBondContact O-N 3.11Å; Q82-L206 HydrophobicContact CB-CD2 4.46Å; Q82-L206 HydrophobicContact CG-CD1 4.26Å; Q82-L206 HydrophobicContact CG-CD2 4Å
83S98.5Very high98Very high36 Ų3656.4 Ų56.425%0.25230%0.301SS..Hα-helixtrans-62.3-38.3178.465.40000112.2H77 T80 Y87H77-S83 CarbonylContact O-C 3.18Å; H77-S83 PolarHBondContact O-OG 3.4Å; H77-S83 VanDerWaalsContact O-OG 3.09Å; T80-S83 PolarHBondContact N-OG 2.55Å; T80-S83 PolarHBondContact O-N 3.22Å; T80-S83 PolarHBondContact O-OG 3.44Å; T80-S83 WeakPolarHBondContact OG1-CB 3.38Å; T80-S83 PolarHBondContact OG1-N 3.04Å; T80-S83 PolarHBondContact OG1-OG 3.43Å; S83-Y87 VanDerWaalsContact O-CB 3.29Å; S83-Y87 WeakPolarHBondContact O-CB 3.24Å; S83-Y87 PolarHBondContact O-N 2.97Å
84M98.8Very high98.1Very high0 Ų047.7 Ų47.70%026%0.261CS..Hα-helixtrans-63.5-51.9176.5174.5-170.876.700111.1L31 L66 H77 Y78 T80 I81 Q82 K86 Y87 E88 L110L31-M84 HydrophobicContact CD2-SD 4.26Å; L66-M84 HydrophobicContact CD2-SD 4.47Å; H77-M84 WeakPolarHBondContact O-CA 3.43Å; H77-M84 PolarHBondContact O-N 3.46Å; Y78-M84 HydrophobicContact CD1-CB 4.01Å; Y78-M84 HydrophobicContact CD1-CG 3.47Å; Y78-M84 VanDerWaalsContact CD1-CG 3.47Å; Y78-M84 HydrophobicContact CD1-SD 3.68Å; Y78-M84 HydrophobicContact CE1-CB 4.38Å; Y78-M84 HydrophobicContact CE1-CG 3.44Å; Y78-M84 VanDerWaalsContact CE1-CG 3.44Å; Y78-M84 HydrophobicContact CE1-SD 3.78Å; Y78-M84 HydrophobicContact CG-CG 4.43Å; T80-M84 PolarHBondContact O-N 3.42Å; I81-M84 HydrophobicContact CG2-CE 4.12Å; I81-M84 WeakPolarHBondContact O-CB 3.4Å; I81-M84 PolarHBondContact O-N 2.87Å; Q82-M84 VanDerWaalsContact C-N 3.3Å; Q82-M84 PolarHBondContact O-N 3.06Å; M84-K86 VanDerWaalsContact C-N 3.31Å; M84-K86 PolarHBondContact O-N 3.04Å; M84-Y87 PolarHBondContact O-N 2.95Å; M84-E88 HydrophobicContact CG-CG 4.45Å; M84-E88 WeakPolarHBondContact O-CG 3.38Å; M84-E88 PolarHBondContact O-N 3.43Å; M84-L110 HydrophobicContact CE-CB 4.16Å; M84-L110 HydrophobicContact CE-CD1 3.96Å
85V98.8Very high98Very high1 Ų145.3 Ų45.31%0.00625%0.248CC..Hα-helixtrans-58.2-46.9-179.9168.20000110.2I81 Q82 L89 L206 Y207 N210 I212I81-V85 HydrophobicContact CG2-CG2 4.28Å; I81-V85 WeakPolarHBondContact O-CB 3.35Å; I81-V85 VanDerWaalsContact O-CG2 3.3Å; I81-V85 WeakPolarHBondContact O-CG2 3.29Å; I81-V85 PolarHBondContact O-N 2.94Å; Q82-V85 PolarHBondContact O-N 3.15Å; V85-L89 HydrophobicContact CG1-CD1 3.73Å; V85-L89 HydrophobicContact CG1-CG 4.46Å; V85-L89 WeakPolarHBondContact O-CB 3.45Å; V85-L89 VanDerWaalsContact O-CG 3.23Å; V85-L89 WeakPolarHBondContact O-CG 3.38Å; V85-L89 PolarHBondContact O-N 3.08Å; V85-L89 VanDerWaalsContact O-N 3.11Å; V85-L206 HydrophobicContact CB-CD2 4.34Å; V85-L206 HydrophobicContact CG2-CD2 3.92Å; V85-L206 HydrophobicContact CG2-CG 4.38Å; V85-Y207 HydrophobicContact CG2-CE2 4.08Å; V85-N210 HydrophobicContact CG1-CB 4.26Å; V85-I212 HydrophobicContact CG1-CD1 3.87Å; V85-I212 HydrophobicContact CG2-CD1 4.11Å
86K98.6Very high97.9Very high126 Ų12649.7 Ų49.755%0.54827%0.269SS..Hα-helixtrans-58.3-52.2176.8178.1169.6175.749.10111.8Q82 M84 L89 D90Q82-K86 WeakPolarHBondContact O-CB 3.38Å; Q82-K86 PolarHBondContact O-N 3.11Å; M84-K86 VanDerWaalsContact C-N 3.31Å; M84-K86 PolarHBondContact O-N 3.04Å; K86-L89 PolarHBondContact O-N 3.14Å; K86-D90 WeakPolarHBondContact CG-OD2 3.23Å; K86-D90 IonicContact NZ-OD2 3.26Å; K86-D90 PolarHBondContact NZ-OD2 2.84Å; K86-D90 VanDerWaalsContact O-CB 3.28Å; K86-D90 WeakPolarHBondContact O-CB 3.46Å; K86-D90 PolarHBondContact O-N 2.94Å
87Y98.8Very high97.5Very high35 Ų3552 Ų5214%0.13727%0.274CS..Hα-helixtrans-60.3-49.5-177.3165.8-107.6000112.6N74 H77 Y78 S83 M84 L89 S91 L93N74-Y87 HydrophobicContact CB-CE1 4.21Å; N74-Y87 PolarHBondContact ND2-OH 3.36Å; N74-Y87 VanDerWaalsContact ND2-OH 3.14Å; N74-Y87 PolarHBondContact OD1-OH 3.13Å; H77-Y87 HydrophobicContact CB-CD1 3.67Å; H77-Y87 HydrophobicContact CB-CD2 3.94Å; H77-Y87 HydrophobicContact CB-CE1 4.27Å; H77-Y87 HydrophobicContact CB-CG 3.47Å; H77-Y87 VanDerWaalsContact CB-CG 3.47Å; H77-Y87 AromaticContact CD2-CD2 3.5Å; H77-Y87 VanDerWaalsContact CD2-CD2 3.5Å; H77-Y87 WeakPolarHBondContact CD2-CD2 3.41Å; H77-Y87 AromaticContact CD2-CE2 3.46Å; H77-Y87 VanDerWaalsContact CD2-CE2 3.46Å; H77-Y87 WeakPolarHBondContact CD2-CE2 3.19Å; H77-Y87 AromaticContact CD2-CG 3.98Å; H77-Y87 AromaticContact CD2-CZ 3.92Å; H77-Y87 AromaticContact CG-CD2 3.47Å; H77-Y87 VanDerWaalsContact CG-CD2 3.47Å; H77-Y87 AromaticContact CG-CE2 3.93Å; H77-Y87 AromaticContact CG-CG 3.57Å; H77-Y87 AromaticContact ND1-CD2 3.81Å; H77-Y87 AromaticContact NE2-CD2 3.86Å; H77-Y87 AromaticContact NE2-CE2 3.83Å; Y78-Y87 HydrophobicContact CE2-CD1 4.15Å; Y78-Y87 HydrophobicContact CE2-CE1 4.03Å; S83-Y87 VanDerWaalsContact O-CB 3.29Å; S83-Y87 WeakPolarHBondContact O-CB 3.24Å; S83-Y87 PolarHBondContact O-N 2.97Å; M84-Y87 PolarHBondContact O-N 2.95Å; Y87-L89 VanDerWaalsContact C-N 3.34Å; Y87-L89 PolarHBondContact O-N 3.34Å; Y87-S91 WeakPolarHBondContact O-CB 3.45Å; Y87-S91 PolarHBondContact O-N 2.67Å; Y87-S91 PolarHBondContact O-OG 3.1Å; Y87-L93 HydrophobicContact CD1-CD1 4.38Å; Y87-L93 HydrophobicContact CE1-CD1 3.56Å
88E98.6Very high97.1Very high2 Ų255.4 Ų55.41%0.00929%0.288CS..Hα-helixtrans-68.4-34.7-176.4-67.7-165160.300112.2Y78 M84 Q92 L93 V94 S105 G106 C107Y78-E88 WeakPolarHBondContact CE1-OE1 3.37Å; Y78-E88 PolarHBondContact OH-OE1 3.36Å; M84-E88 HydrophobicContact CG-CG 4.45Å; M84-E88 WeakPolarHBondContact O-CG 3.38Å; M84-E88 PolarHBondContact O-N 3.43Å; E88-Q92 PolarHBondContact O-N 2.92Å; E88-Q92 VanDerWaalsContact O-N 3.13Å; E88-L93 HydrophobicContact CB-CB 4.17Å; E88-L93 HydrophobicContact CG-CB 4.37Å; E88-L93 PolarHBondContact O-N 3.39Å; E88-V94 HydrophobicContact CB-CG2 3.58Å; E88-S105 WeakPolarHBondContact OE2-CB 3.12Å; E88-G106 VanDerWaalsContact CD-N 3.35Å; E88-G106 WeakPolarHBondContact OE1-CA 3.47Å; E88-G106 PolarHBondContact OE1-N 3.1Å; E88-G106 PolarHBondContact OE2-N 3.38Å; E88-C107 WeakPolarHBondContact OE2-CB 3.33Å; E88-C107 PolarHBondContact OE2-N 2.88Å; E88-C107 PolarHBondContact OE2-SG 3.17Å
89L98.4Very high96.5Very high45 Ų4562.6 Ų62.624%0.23632%0.315CS..Hα-helixtrans-71.2-48.6175.4-69.1176.6000111.9V85 K86 Y87 S91 Q92 V94 L96 N210 I212V85-L89 HydrophobicContact CG1-CD1 3.73Å; V85-L89 HydrophobicContact CG1-CG 4.46Å; V85-L89 WeakPolarHBondContact O-CB 3.45Å; V85-L89 VanDerWaalsContact O-CG 3.23Å; V85-L89 WeakPolarHBondContact O-CG 3.38Å; V85-L89 PolarHBondContact O-N 3.08Å; V85-L89 VanDerWaalsContact O-N 3.11Å; K86-L89 PolarHBondContact O-N 3.14Å; Y87-L89 VanDerWaalsContact C-N 3.34Å; Y87-L89 PolarHBondContact O-N 3.34Å; L89-S91 PolarHBondContact O-N 3.15Å; L89-Q92 PolarHBondContact O-N 2.77Å; L89-Q92 VanDerWaalsContact O-N 3.12Å; L89-V94 HydrophobicContact CD2-CB 4.37Å; L89-V94 HydrophobicContact CD2-CG2 4.13Å; L89-L96 HydrophobicContact CD2-CD2 4.18Å; L89-N210 HydrophobicContact CD1-CB 3.92Å; L89-I212 HydrophobicContact CD2-CG2 4.19Å
90D98.4Very high96.3Very high109 Ų10961.1 Ų61.158%0.58332%0.315SS*.Hα-helixtrans-60.6-32.6179-72.5-12.7000111.4K86K86-D90 WeakPolarHBondContact CG-OD2 3.23Å; K86-D90 IonicContact NZ-OD2 3.26Å; K86-D90 PolarHBondContact NZ-OD2 2.84Å; K86-D90 VanDerWaalsContact O-CB 3.28Å; K86-D90 WeakPolarHBondContact O-CB 3.46Å; K86-D90 PolarHBondContact O-N 2.94Å
91S97.9Very high96Very high55 Ų5565.6 Ų65.639%0.38535%0.347SS..THydrogen-bonded Turntrans-94.53.9-179.2-51.40000114Y87 L89 L93Y87-S91 WeakPolarHBondContact O-CB 3.45Å; Y87-S91 PolarHBondContact O-N 2.67Å; Y87-S91 PolarHBondContact O-OG 3.1Å; L89-S91 PolarHBondContact O-N 3.15Å; S91-L93 VanDerWaalsContact C-N 3.28Å; S91-L93 PolarHBondContact O-N 3.05Å
92Q97.1Very high95.8Very high162 Ų16269.2 Ų69.276%0.75736%0.363SS*.THydrogen-bonded Turntrans5637.2-179.5-51.5-173.2-62.200114.3E88 L89 V94 F102E88-Q92 PolarHBondContact O-N 2.92Å; E88-Q92 VanDerWaalsContact O-N 3.13Å; L89-Q92 PolarHBondContact O-N 2.77Å; L89-Q92 VanDerWaalsContact O-N 3.12Å; Q92-V94 VanDerWaalsContact C-N 3.32Å; Q92-F102 WeakPolarHBondContact O-CE2 3.48Å
93L97.4Very high95.5Very high39 Ų3970 Ų7020%0.20437%0.371CS..  trans-93.315.4-179.3-55.3176.4000112.8Y87 E88 S91 F102 S105Y87-L93 HydrophobicContact CD1-CD1 4.38Å; Y87-L93 HydrophobicContact CE1-CD1 3.56Å; E88-L93 HydrophobicContact CB-CB 4.17Å; E88-L93 HydrophobicContact CG-CB 4.37Å; E88-L93 PolarHBondContact O-N 3.39Å; S91-L93 VanDerWaalsContact C-N 3.28Å; S91-L93 PolarHBondContact O-N 3.05Å; L93-F102 HydrophobicContact CB-CD1 4.4Å; L93-F102 HydrophobicContact CB-CE1 4.49Å; L93-F102 HydrophobicContact CD2-CD1 4.23Å; L93-F102 HydrophobicContact CD2-CE1 3.54Å; L93-F102 HydrophobicContact CD2-CZ 3.7Å; L93-F102 WeakPolarHBondContact O-CB 3.42Å; L93-F102 WeakPolarHBondContact O-CG 3.48Å; L93-S105 WeakPolarHBondContact O-CB 3.42Å
94V97.2Very high95.4Very high14 Ų1474 Ų749%0.08539%0.386CS..SBendtrans-123.3123.1-179-169.60000110.5E88 L89 Q92 L96 C107 L215E88-V94 HydrophobicContact CB-CG2 3.58Å; L89-V94 HydrophobicContact CD2-CB 4.37Å; L89-V94 HydrophobicContact CD2-CG2 4.13Å; Q92-V94 VanDerWaalsContact C-N 3.32Å; V94-L96 HydrophobicContact CB-CD2 4.22Å; V94-L96 HydrophobicContact CG1-CD2 3.94Å; V94-L96 PolarHBondContact O-N 3.05Å; V94-L96 VanDerWaalsContact O-N 3.11Å; V94-C107 HydrophobicContact CG1-CB 4.26Å; V94-C107 HydrophobicContact CG2-CB 3.98Å; V94-L215 HydrophobicContact CG1-CD1 3.73Å; V94-L215 HydrophobicContact CG1-CD2 3.53Å; V94-L215 HydrophobicContact CG1-CG 4.29Å
95D95.4Very high95.4Very high22 Ų2274.2 Ų74.212%0.11839%0.387CS..  trans-7492.6171.7-77.2-28.1000110.8T97 K98 G100 S101 F102 P216D95-T97 PolarHBondContact O-N 3.11Å; D95-K98 VanDerWaalsContact CB-O 3.28Å; D95-K98 WeakPolarHBondContact CB-O 3.23Å; D95-G100 VanDerWaalsContact CG-N 3.25Å; D95-G100 VanDerWaalsContact OD2-CA 3.29Å; D95-G100 WeakPolarHBondContact OD2-CA 3.44Å; D95-G100 PolarHBondContact OD2-N 3.19Å; D95-S101 PolarHBondContact OD1-N 2.88Å; D95-S101 PolarHBondContact OD2-N 3.29Å; D95-F102 WeakPolarHBondContact OD2-CA 3.12Å; D95-F102 PolarHBondContact OD2-N 2.63Å; D95-P216 HydrophobicContact CB-CG 4.45Å; D95-P216 WeakPolarHBondContact O-CD 3.2Å; D95-P216 WeakPolarHBondContact O-CG 3.46Å
96L93.9Very high95.4Very high103 Ų10374.1 Ų74.154%0.53939%0.387SS..SBendtrans-72-28.3-170-63.1177.9000115.5L89 V94 I212 L215L89-L96 HydrophobicContact CD2-CD2 4.18Å; V94-L96 HydrophobicContact CB-CD2 4.22Å; V94-L96 HydrophobicContact CG1-CD2 3.94Å; V94-L96 PolarHBondContact O-N 3.05Å; V94-L96 VanDerWaalsContact O-N 3.11Å; L96-I212 HydrophobicContact CD2-CG2 4.08Å; L96-L215 HydrophobicContact CD2-CD2 3.83Å
97T89.3Confident95.4Very high132 Ų13268.1 Ų68.181%0.8136%0.361SS*.SBendtrans-119.5-7.6-164.755.30000116.2D95D95-T97 PolarHBondContact O-N 3.11Å
98K90.1Very high95.3Very high154 Ų15467.7 Ų67.767%0.6736%0.359SS*.SBend168.569.1-95.1157.7-168.5171.6-179.60114.1D95 G100 P216D95-K98 VanDerWaalsContact CB-O 3.28Å; D95-K98 WeakPolarHBondContact CB-O 3.23Å; K98-G100 PolarHBondContact O-N 3.11Å; K98-G100 VanDerWaalsContact O-N 3.15Å; K98-P216 VanDerWaalsContact N-CG 3.34Å
99R86.4Confident95.3Very high158 Ų15867.9 Ų67.960%0.59636%0.36SS*.  trans-48.8126.6170.6-75-162.1-167.6-172.74.9110.4P216R99-P216 HydrophobicContact CG-CB 4.06Å; R99-P216 HydrophobicContact CG-CG 4.25Å; R99-P216 PolarHBondContact NE-OXT 3.41Å
100G92.1Very high95.3Very high45 Ų4565.8 Ų65.846%0.46435%0.349SS..  trans-153.5-123.6-168.600000110.5D95 K98 F102D95-G100 VanDerWaalsContact CG-N 3.25Å; D95-G100 VanDerWaalsContact OD2-CA 3.29Å; D95-G100 WeakPolarHBondContact OD2-CA 3.44Å; D95-G100 PolarHBondContact OD2-N 3.19Å; K98-G100 PolarHBondContact O-N 3.11Å; K98-G100 VanDerWaalsContact O-N 3.15Å; G100-F102 VanDerWaalsContact C-N 3.33Å
101S93.7Very high95.3Very high101 Ų10160.6 Ų60.671%0.70632%0.322SS*.SBendtrans-78.1-18.6-170.8-59.80000113.3D95 P103D95-S101 PolarHBondContact OD1-N 2.88Å; D95-S101 PolarHBondContact OD2-N 3.29Å; S101-P103 VanDerWaalsContact O-CD 3.31Å; S101-P103 WeakPolarHBondContact O-CD 3.44Å
102F94.5Very high95.3Very high76 Ų7660.1 Ų60.133%0.33331%0.312SS..  trans-124.357.5-174.7-52.3-73.5000111.7Q92 L93 D95 G100 E104 S105Q92-F102 WeakPolarHBondContact O-CE2 3.48Å; L93-F102 HydrophobicContact CB-CD1 4.4Å; L93-F102 HydrophobicContact CB-CE1 4.49Å; L93-F102 HydrophobicContact CD2-CD1 4.23Å; L93-F102 HydrophobicContact CD2-CE1 3.54Å; L93-F102 HydrophobicContact CD2-CZ 3.7Å; L93-F102 WeakPolarHBondContact O-CB 3.42Å; L93-F102 WeakPolarHBondContact O-CG 3.48Å; D95-F102 WeakPolarHBondContact OD2-CA 3.12Å; D95-F102 PolarHBondContact OD2-N 2.63Å; G100-F102 VanDerWaalsContact C-N 3.33Å; F102-E104 PolarHBondContact O-N 2.69Å; F102-E104 VanDerWaalsContact O-N 3.08Å; F102-S105 PolarHBondContact O-N 3.48Å
103P92.4Very high95.4Very high56 Ų5652.5 Ų52.536%0.36428%0.276SS..THydrogen-bonded Turntrans-67.4-12.4-176.531-37.1000112.9S101 R108S101-P103 VanDerWaalsContact O-CD 3.31Å; S101-P103 WeakPolarHBondContact O-CD 3.44Å; P103-R108 VanDerWaalsContact O-CD 3.24Å; P103-R108 WeakPolarHBondContact O-CD 3.35Å; P103-R108 PolarHBondContact O-NH1 3.45Å
104E95.8Very high95.4Very high118 Ų11850.7 Ų50.755%0.55127%0.266SS*.THydrogen-bonded Turntrans-126.531.6-179.3-61.5-170.3144.400111.9I65 H69 F102I65-E104 HydrophobicContact CD1-CB 4.33Å; I65-E104 HydrophobicContact CD1-CG 4.13Å; I65-E104 HydrophobicContact CG2-CB 4.2Å; H69-E104 PolarHBondContact NE2-O 3.01Å; F102-E104 PolarHBondContact O-N 2.69Å; F102-E104 VanDerWaalsContact O-N 3.08Å
105S98.1Very high95.4Very high5 Ų551.5 Ų51.54%0.03527%0.268CS..  trans-56.6149.2171.780.40000111.3E88 L93 F102 C107 R108 T109E88-S105 WeakPolarHBondContact OE2-CB 3.12Å; L93-S105 WeakPolarHBondContact O-CB 3.42Å; F102-S105 PolarHBondContact O-N 3.48Å; S105-C107 VanDerWaalsContact C-N 3.34Å; S105-C107 PolarHBondContact O-N 2.64Å; S105-R108 PolarHBondContact O-N 3.44Å; S105-R108 VanDerWaalsContact OG-CB 3.24Å; S105-R108 WeakPolarHBondContact OG-CB 3.15Å; S105-R108 PolarHBondContact OG-N 2.9Å; S105-T109 VanDerWaalsContact O-CB 3.24Å; S105-T109 WeakPolarHBondContact O-CB 3.33Å; S105-T109 PolarHBondContact O-N 3.2Å; S105-T109 PolarHBondContact O-OG1 3.01Å
106G98.4Very high95.4Very high0 Ų051.2 Ų51.20%027%0.269CS..Hα-helixtrans-57.6-46177.200000111.6E88 R108 T109 L110E88-G106 VanDerWaalsContact CD-N 3.35Å; E88-G106 WeakPolarHBondContact OE1-CA 3.47Å; E88-G106 PolarHBondContact OE1-N 3.1Å; E88-G106 PolarHBondContact OE2-N 3.38Å; G106-R108 VanDerWaalsContact C-N 3.34Å; G106-R108 PolarHBondContact O-N 3.27Å; G106-T109 PolarHBondContact O-N 3.41Å; G106-L110 VanDerWaalsContact O-CB 3.24Å; G106-L110 WeakPolarHBondContact O-CB 3Å; G106-L110 PolarHBondContact O-N 3.07Å
107C98.6Very high95.5Very high0 Ų046.3 Ų46.30%024%0.243CC..Hα-helixtrans-53.8-50.4176.3-710000111.8E88 V94 S105 L111 Y207 L215E88-C107 WeakPolarHBondContact OE2-CB 3.33Å; E88-C107 PolarHBondContact OE2-N 2.88Å; E88-C107 PolarHBondContact OE2-SG 3.17Å; V94-C107 HydrophobicContact CG1-CB 4.26Å; V94-C107 HydrophobicContact CG2-CB 3.98Å; S105-C107 VanDerWaalsContact C-N 3.34Å; S105-C107 PolarHBondContact O-N 2.64Å; C107-L111 WeakPolarHBondContact O-CB 3.38Å; C107-L111 PolarHBondContact O-N 3.23Å; C107-L111 VanDerWaalsContact O-N 3.11Å; C107-Y207 WeakPolarHBondContact CA-OH 3.42Å; C107-Y207 WeakPolarHBondContact O-CE1 3.24Å; C107-Y207 PolarHBondContact O-OH 2.99Å; C107-L215 HydrophobicContact CB-CD1 3.84Å
108R98.3Very high95.9Very high26 Ų2643.3 Ų43.310%0.09822%0.217CC..Hα-helixtrans-67.1-43.6-178.3-176.6-167.4-175.3-89.2-33.6111.3P103 S105 G106 R112 L215 P216P103-R108 VanDerWaalsContact O-CD 3.24Å; P103-R108 WeakPolarHBondContact O-CD 3.35Å; P103-R108 PolarHBondContact O-NH1 3.45Å; S105-R108 PolarHBondContact O-N 3.44Å; S105-R108 VanDerWaalsContact OG-CB 3.24Å; S105-R108 WeakPolarHBondContact OG-CB 3.15Å; S105-R108 PolarHBondContact OG-N 2.9Å; G106-R108 VanDerWaalsContact C-N 3.34Å; G106-R108 PolarHBondContact O-N 3.27Å; R108-R112 WeakPolarHBondContact O-CD 3.49Å; R108-R112 PolarHBondContact O-NH1 3.37Å; R108-L215 HydrophobicContact CB-CD1 4.3Å; R108-P216 PolarHBondContact NE-O 3.05Å; R108-P216 VanDerWaalsContact NH2-C 3.31Å; R108-P216 PolarHBondContact NH2-O 3.01Å; R108-P216 PolarHBondContact NH2-OXT 3.28Å
109T98.4Very high96.1Very high6 Ų636.8 Ų36.84%0.03719%0.188CC..Hα-helixtrans-66-49.4-177.4-62.20000110.8K62 I65 L66 S105 G106 L111 R112K62-T109 HydrophobicContact CB-CG2 3.78Å; K62-T109 HydrophobicContact CG-CG2 4.01Å; K62-T109 WeakPolarHBondContact O-CG2 3.37Å; I65-T109 HydrophobicContact CB-CG2 3.9Å; I65-T109 HydrophobicContact CD1-CG2 4.38Å; I65-T109 HydrophobicContact CG2-CG2 3.82Å; L66-T109 HydrophobicContact CD1-CG2 4.48Å; L66-T109 HydrophobicContact CD2-CG2 4.08Å; L66-T109 HydrophobicContact CG-CG2 3.89Å; S105-T109 VanDerWaalsContact O-CB 3.24Å; S105-T109 WeakPolarHBondContact O-CB 3.33Å; S105-T109 PolarHBondContact O-N 3.2Å; S105-T109 PolarHBondContact O-OG1 3.01Å; G106-T109 PolarHBondContact O-N 3.41Å; T109-L111 VanDerWaalsContact C-N 3.31Å; T109-L111 PolarHBondContact O-N 3.15Å; T109-R112 PolarHBondContact O-N 2.92Å
110L98.6Very high96.4Very high0 Ų029.4 Ų29.40%016%0.161CC..Hα-helixtrans-62.6-37.7178.6-172.7145.7000111.6L31 Y34 L66 I81 M84 G106 R112 L113 H114 T203 Y207L31-L110 HydrophobicContact CD1-CD1 3.59Å; Y34-L110 HydrophobicContact CD1-CD1 4.41Å; Y34-L110 HydrophobicContact CE1-CD1 4.29Å; Y34-L110 HydrophobicContact CE1-CG 4.26Å; L66-L110 HydrophobicContact CD1-CB 4.25Å; L66-L110 HydrophobicContact CD1-CD1 4.44Å; L66-L110 HydrophobicContact CD2-CB 4.23Å; I81-L110 HydrophobicContact CB-CD1 4.49Å; I81-L110 HydrophobicContact CD1-CD1 3.59Å; I81-L110 HydrophobicContact CD1-CD2 4.18Å; I81-L110 HydrophobicContact CD1-CG 4.49Å; I81-L110 HydrophobicContact CG1-CD1 3.67Å; I81-L110 HydrophobicContact CG2-CD1 4.11Å; I81-L110 HydrophobicContact CG2-CD2 4.24Å; M84-L110 HydrophobicContact CE-CB 4.16Å; M84-L110 HydrophobicContact CE-CD1 3.96Å; G106-L110 VanDerWaalsContact O-CB 3.24Å; G106-L110 WeakPolarHBondContact O-CB 3Å; G106-L110 PolarHBondContact O-N 3.07Å; L110-R112 PolarHBondContact O-N 3.43Å; L110-R112 VanDerWaalsContact O-N 3.11Å; L110-L113 CarbonylContact O-C 3.59Å; L110-L113 PolarHBondContact O-N 3.43Å; L110-H114 HydrophobicContact CD2-CB 4.31Å; L110-H114 WeakPolarHBondContact O-CB 2.96Å; L110-H114 PolarHBondContact O-N 3.41Å; L110-T203 HydrophobicContact CD2-CG2 3.74Å; L110-Y207 WeakPolarHBondContact CB-OH 3.36Å; L110-Y207 HydrophobicContact CD2-CE2 3.75Å; L110-Y207 VanDerWaalsContact CD2-OH 3.29Å; L110-Y207 WeakPolarHBondContact CD2-OH 3.03Å
111L98.6Very high96.6Very high1 Ų127.7 Ų27.71%0.00514%0.14CC..Hα-helixtrans-53.8-35.4176.1-177.658.5000113.1C107 T109 R115 Y207 L215C107-L111 WeakPolarHBondContact O-CB 3.38Å; C107-L111 PolarHBondContact O-N 3.23Å; C107-L111 VanDerWaalsContact O-N 3.11Å; T109-L111 VanDerWaalsContact C-N 3.31Å; T109-L111 PolarHBondContact O-N 3.15Å; L111-R115 HydrophobicContact CD1-CG 4.44Å; L111-R115 WeakPolarHBondContact O-CD 3.35Å; L111-R115 VanDerWaalsContact O-CG 3.28Å; L111-R115 WeakPolarHBondContact O-CG 3.14Å; L111-R115 PolarHBondContact O-N 3.29Å; L111-Y207 HydrophobicContact CB-CD1 4.43Å; L111-Y207 HydrophobicContact CB-CE1 3.78Å; L111-Y207 HydrophobicContact CD1-CD1 3.79Å; L111-Y207 HydrophobicContact CD1-CE1 4Å; L111-Y207 HydrophobicContact CG-CE1 4.34Å; L111-L215 HydrophobicContact CD2-CB 3.85Å; L111-L215 HydrophobicContact CD2-CG 4.41Å
112R97.8Very high96.7Very high45 Ų4523.1 Ų23.117%0.1711%0.108CC..Hα-helixtrans-74.2-39.8179.6-80.777.1-176.7148.612.7111.7K62 R108 T109 L110 A116 L215 P216K62-R112 HydrophobicContact CD-CB 3.56Å; K62-R112 HydrophobicContact CD-CG 4.41Å; K62-R112 VanDerWaalsContact CE-CG 3.48Å; R108-R112 WeakPolarHBondContact O-CD 3.49Å; R108-R112 PolarHBondContact O-NH1 3.37Å; T109-R112 PolarHBondContact O-N 2.92Å; L110-R112 PolarHBondContact O-N 3.43Å; L110-R112 VanDerWaalsContact O-N 3.11Å; R112-A116 PolarHBondContact O-N 3.3Å; R112-A116 VanDerWaalsContact O-N 3.13Å; R112-L215 PolarHBondContact NH1-O 3.01Å; R112-L215 PolarHBondContact NH2-O 2.99Å; R112-P216 PolarHBondContact NH2-O 2.98Å; R112-P216 PolarHBondContact NH2-OXT 3.28Å
113L97.6Very high96.7Very high2 Ų219.7 Ų19.71%0.019%0.093CC..Hα-helixtrans-62.7-48.5172-69.4-178.7000109.4Y34 W38 A59 K62 I63 L66 L110 R115 A116 L117Y34-L113 HydrophobicContact CE1-CB 4.28Å; Y34-L113 HydrophobicContact CE1-CD1 4.42Å; W38-L113 HydrophobicContact CD2-CB 4.5Å; W38-L113 HydrophobicContact CD2-CD2 4.06Å; W38-L113 HydrophobicContact CE3-CD2 4.22Å; W38-L113 HydrophobicContact CG-CD1 4.41Å; W38-L113 HydrophobicContact CZ2-CB 4.13Å; W38-L113 HydrophobicContact CZ2-CD2 4.46Å; W38-L113 WeakPolarHBondContact CZ2-O 3.46Å; A59-L113 HydrophobicContact CB-CD2 3.93Å; K62-L113 HydrophobicContact CB-CD1 4.09Å; K62-L113 HydrophobicContact CB-CD2 3.88Å; K62-L113 HydrophobicContact CB-CG 3.85Å; K62-L113 HydrophobicContact CD-CD2 4.29Å; K62-L113 HydrophobicContact CD-CG 4.39Å; I63-L113 HydrophobicContact CG1-CD1 4.15Å; L66-L113 HydrophobicContact CD1-CD1 3.62Å; L110-L113 CarbonylContact O-C 3.59Å; L110-L113 PolarHBondContact O-N 3.43Å; L113-R115 PolarHBondContact O-N 3.43Å; L113-A116 CarbonylContact O-C 3.46Å; L113-A116 WeakPolarHBondContact O-CA 3.41Å; L113-A116 WeakPolarHBondContact O-CB 3.48Å; L113-A116 PolarHBondContact O-N 3.36Å; L113-L117 PolarHBondContact O-N 3.39Å
114H97.9Very high96.7Very high1 Ų117.1 Ų17.11%0.0058%0.076CC..Hα-helixtrans-51.3-49.6176.6-178.260.7000113.5Y34 L110 A116 L117 R118 Y200 T203 E204Y34-H114 PolarHBondContact OH-N 2.84Å; L110-H114 HydrophobicContact CD2-CB 4.31Å; L110-H114 WeakPolarHBondContact O-CB 2.96Å; L110-H114 PolarHBondContact O-N 3.41Å; H114-A116 VanDerWaalsContact C-N 3.31Å; H114-A116 PolarHBondContact O-N 2.67Å; H114-L117 VanDerWaalsContact O-CB 3.27Å; H114-L117 WeakPolarHBondContact O-CB 3.02Å; H114-L117 PolarHBondContact O-N 2.94Å; H114-L117 VanDerWaalsContact O-N 3.08Å; H114-R118 PolarHBondContact O-N 2.98Å; H114-Y200 AromaticContact CE1-CD2 3.1Å; H114-Y200 WeakPolarHBondContact CE1-CD2 3.41Å; H114-Y200 AromaticContact CE1-CE2 3.12Å; H114-Y200 WeakPolarHBondContact CE1-CE2 3.31Å; H114-Y200 AromaticContact CE1-CG 3.75Å; H114-Y200 AromaticContact CE1-CZ 3.82Å; H114-Y200 PolarHBondContact CE1-O 3.43Å; H114-Y200 VanDerWaalsContact CE1-O 3.26Å; H114-Y200 AromaticContact ND1-CD2 3.55Å; H114-Y200 AromaticContact ND1-CE2 3.74Å; H114-Y200 AromaticContact NE2-CD2 3.82Å; H114-Y200 AromaticContact NE2-CE2 3.32Å; H114-Y200 VanDerWaalsContact NE2-CE2 3.32Å; H114-Y200 WeakPolarHBondContact NE2-CE2 3.46Å; H114-Y200 AromaticContact NE2-CZ 3.74Å; H114-T203 HydrophobicContact CB-CG2 4.48Å; H114-E204 IonicContact CD2-OE2 3.83Å; H114-E204 PolarHBondContact CD2-OE2 2.85Å; H114-E204 IonicContact CE1-OE2 2.55Å; H114-E204 IonicContact NE2-OE2 3.45Å; H114-E204 PolarHBondContact NE2-OE2 2.83Å
115R97.6Very high96.7Very high30 Ų3015.9 Ų15.911%0.1137%0.07CC..Hα-helixtrans-60.8-37.9174.5-71.6164.1170.8-171.1-6.5112.9L111 L113 L117 L148 H151 L213 E214L111-R115 HydrophobicContact CD1-CG 4.44Å; L111-R115 WeakPolarHBondContact O-CD 3.35Å; L111-R115 VanDerWaalsContact O-CG 3.28Å; L111-R115 WeakPolarHBondContact O-CG 3.14Å; L111-R115 PolarHBondContact O-N 3.29Å; L113-R115 PolarHBondContact O-N 3.43Å; R115-L117 VanDerWaalsContact C-N 3.35Å; R115-L148 HydrophobicContact CB-CD1 3.89Å; R115-H151 VanDerWaalsContact CD-CD2 3.45Å; R115-H151 WeakPolarHBondContact CD-CD2 3.28Å; R115-H151 PolarHBondContact NE-CE1 3.4Å; R115-H151 PolarHBondContact NE-ND1 3.26Å; R115-H151 PolarHBondContact NH1-ND1 2.79Å; R115-H151 PolarHBondContact NH2-ND1 3.46Å; R115-L213 PolarHBondContact NH2-O 3.18Å; R115-E214 IonicContact NH2-OE1 2.74Å; R115-E214 IonicContact NH2-OE2 2.71Å; R115-E214 PolarHBondContact NH2-OE2 2.84Å
116A95.8Very high96.6Very high16 Ų1617.9 Ų17.913%0.1328%0.077CC..Hα-helixtrans-72.2-29.2175.500000112.4W38 R112 L113 H114 R118 W119 L120 L148W38-A116 HydrophobicContact CH2-CB 3.64Å; W38-A116 HydrophobicContact CZ2-CB 4.22Å; R112-A116 PolarHBondContact O-N 3.3Å; R112-A116 VanDerWaalsContact O-N 3.13Å; L113-A116 CarbonylContact O-C 3.46Å; L113-A116 WeakPolarHBondContact O-CA 3.41Å; L113-A116 WeakPolarHBondContact O-CB 3.48Å; L113-A116 PolarHBondContact O-N 3.36Å; H114-A116 VanDerWaalsContact C-N 3.31Å; H114-A116 PolarHBondContact O-N 2.67Å; A116-R118 VanDerWaalsContact C-N 3.3Å; A116-R118 PolarHBondContact O-N 3.34Å; A116-W119 PolarHBondContact O-N 3.47Å; A116-L120 PolarHBondContact O-N 3.14Å; A116-L120 VanDerWaalsContact O-N 3.1Å; A116-L148 HydrophobicContact CB-CD2 4.33Å
117L95.7Very high96.3Very high1 Ų117.9 Ų17.91%0.0058%0.077CC..Hα-helixtrans-62-43.6175.8-16757.5000109.6F19 Y34 W38 L41 L113 H114 R115 W119 L120 E121 I196F19-L117 HydrophobicContact CE1-CD1 4.44Å; F19-L117 HydrophobicContact CE1-CD2 4.35Å; F19-L117 HydrophobicContact CZ-CD1 3.97Å; Y34-L117 HydrophobicContact CE2-CD2 4.08Å; W38-L117 HydrophobicContact CZ2-CB 3.69Å; W38-L117 HydrophobicContact CZ2-CD1 4Å; W38-L117 HydrophobicContact CZ2-CG 4.41Å; L41-L117 HydrophobicContact CD1-CD1 3.86Å; L113-L117 PolarHBondContact O-N 3.39Å; H114-L117 VanDerWaalsContact O-CB 3.27Å; H114-L117 WeakPolarHBondContact O-CB 3.02Å; H114-L117 PolarHBondContact O-N 2.94Å; H114-L117 VanDerWaalsContact O-N 3.08Å; R115-L117 VanDerWaalsContact C-N 3.35Å; L117-W119 VanDerWaalsContact C-N 3.33Å; L117-W119 PolarHBondContact O-N 2.8Å; L117-L120 PolarHBondContact O-N 2.87Å; L117-L120 VanDerWaalsContact O-N 3.14Å; L117-E121 WeakPolarHBondContact O-CB 3.42Å; L117-E121 PolarHBondContact O-N 3.05Å; L117-I196 HydrophobicContact CD1-CG2 3.9Å; L117-I196 HydrophobicContact CD2-CG2 4.24Å; L117-I196 HydrophobicContact CG-CG2 3.9Å
118R96.9Very high96.1Very high68 Ų6820.4 Ų20.426%0.2579%0.089SC..Hα-helixtrans-57.7-46.1177.3-172.252.5-178.2168.83.9112.5H114 A116 L120 E121 L122 Y200H114-R118 PolarHBondContact O-N 2.98Å; A116-R118 VanDerWaalsContact C-N 3.3Å; A116-R118 PolarHBondContact O-N 3.34Å; R118-L120 VanDerWaalsContact C-N 3.3Å; R118-L120 PolarHBondContact O-N 3.33Å; R118-E121 WeakPolarHBondContact CD-OE2 3.3Å; R118-E121 IonicContact CZ-OE2 3.74Å; R118-E121 IonicContact NH1-OE1 2.73Å; R118-E121 PolarHBondContact NH1-OE1 3.16Å; R118-E121 IonicContact NH1-OE2 3.8Å; R118-E121 PolarHBondContact NH1-OE2 3.35Å; R118-L122 HydrophobicContact CG-CD1 4.18Å; R118-L122 WeakPolarHBondContact O-CB 3.27Å; R118-L122 VanDerWaalsContact O-CG 3.27Å; R118-L122 WeakPolarHBondContact O-CG 3.36Å; R118-L122 PolarHBondContact O-N 3.21Å; R118-Y200 HydrophobicContact CB-CD2 4.17Å; R118-Y200 HydrophobicContact CB-CE2 3.49Å; R118-Y200 VanDerWaalsContact CB-CE2 3.49Å; R118-Y200 HydrophobicContact CG-CE2 4.08Å
119W95.6Very high95.9Very high17 Ų1724.3 Ų24.36%0.06412%0.116CC..Hα-helixtrans-59.1-44.9176.8162.157.5000111.5M45 A116 L117 F123 C140 Y144 S147 L148 F164M45-W119 HydrophobicContact SD-CH2 4.48Å; M45-W119 HydrophobicContact SD-CZ3 4.27Å; A116-W119 PolarHBondContact O-N 3.47Å; L117-W119 VanDerWaalsContact C-N 3.33Å; L117-W119 PolarHBondContact O-N 2.8Å; W119-F123 WeakPolarHBondContact O-CB 3.12Å; W119-F123 PolarHBondContact O-N 3.44Å; W119-C140 PolarHBondContact NE1-O 3.45Å; W119-Y144 VanDerWaalsContact CD1-N 3.3Å; W119-S147 VanDerWaalsContact CA-OG 3.22Å; W119-S147 WeakPolarHBondContact CA-OG 3.39Å; W119-S147 WeakPolarHBondContact CB-OG 3.34Å; W119-L148 HydrophobicContact CB-CB 3.95Å; W119-L148 HydrophobicContact CB-CD2 4.47Å; W119-L148 HydrophobicContact CE3-CD2 4.43Å; W119-L148 HydrophobicContact CG-CB 4.46Å; W119-F164 HydrophobicContact CZ2-CE1 4.05Å; W119-F164 HydrophobicContact CZ2-CZ 4.46Å
120L93.1Very high95.7Very high4 Ų424.6 Ų24.62%0.02112%0.118CC..Hα-helixtrans-70.2-41.7-177.5-172.159000112.3L41 A116 L117 R118 F123 L124L41-L120 HydrophobicContact CB-CD2 3.86Å; L41-L120 HydrophobicContact CD1-CD2 3.71Å; L41-L120 HydrophobicContact CD2-CD2 3.58Å; L41-L120 HydrophobicContact CG-CD2 3.87Å; A116-L120 PolarHBondContact O-N 3.14Å; A116-L120 VanDerWaalsContact O-N 3.1Å; L117-L120 PolarHBondContact O-N 2.87Å; L117-L120 VanDerWaalsContact O-N 3.14Å; R118-L120 VanDerWaalsContact C-N 3.3Å; R118-L120 PolarHBondContact O-N 3.33Å; L120-F123 HydrophobicContact CD1-CD1 4.3Å; L120-F123 PolarHBondContact O-N 3.3Å; L120-L124 HydrophobicContact CD1-CD1 4.36Å; L120-L124 HydrophobicContact CD1-CG 4.21Å; L120-L124 HydrophobicContact CG-CD1 4.01Å; L120-L124 HydrophobicContact CG-CG 4.3Å; L120-L124 WeakPolarHBondContact O-CB 3.1Å; L120-L124 VanDerWaalsContact O-CG 3.25Å; L120-L124 WeakPolarHBondContact O-CG 3.32Å; L120-L124 PolarHBondContact O-N 2.74Å
121E94.6Very high95.4Very high8 Ų828.6 Ų28.64%0.03714%0.143CC..Hα-helixtrans-53.2-54.7172-177.3-163.7-179.400110.5L117 R118 F123 L124 E125 L193 I196 S197L117-E121 WeakPolarHBondContact O-CB 3.42Å; L117-E121 PolarHBondContact O-N 3.05Å; R118-E121 WeakPolarHBondContact CD-OE2 3.3Å; R118-E121 IonicContact CZ-OE2 3.74Å; R118-E121 IonicContact NH1-OE1 2.73Å; R118-E121 PolarHBondContact NH1-OE1 3.16Å; R118-E121 IonicContact NH1-OE2 3.8Å; R118-E121 PolarHBondContact NH1-OE2 3.35Å; E121-F123 VanDerWaalsContact C-N 3.25Å; E121-F123 PolarHBondContact O-N 3.32Å; E121-L124 PolarHBondContact O-N 3.17Å; E121-E125 WeakPolarHBondContact O-CB 3.48Å; E121-E125 PolarHBondContact O-N 3.25Å; E121-L193 HydrophobicContact CG-CD2 4.17Å; E121-I196 HydrophobicContact CB-CG2 3.97Å; E121-I196 HydrophobicContact CG-CG2 4.05Å; E121-S197 VanDerWaalsContact OE1-CA 3.3Å; E121-S197 WeakPolarHBondContact OE1-CA 3.49Å; E121-S197 WeakPolarHBondContact OE1-CB 3.11Å; E121-S197 PolarHBondContact OE1-OG 3.3Å
122L96.4Very high94.9Very high6 Ų636.5 Ų36.53%0.03118%0.18CC..Hα-helixtrans-59.9-32.9178.9-77.6177.7000113.5R118 R126 A143 E146R118-L122 HydrophobicContact CG-CD1 4.18Å; R118-L122 WeakPolarHBondContact O-CB 3.27Å; R118-L122 VanDerWaalsContact O-CG 3.27Å; R118-L122 WeakPolarHBondContact O-CG 3.36Å; R118-L122 PolarHBondContact O-N 3.21Å; L122-R126 VanDerWaalsContact O-CG 3.31Å; L122-R126 WeakPolarHBondContact O-CG 3.38Å; L122-R126 PolarHBondContact O-N 2.91Å; L122-R126 PolarHBondContact O-NH1 3.35Å; L122-A143 HydrophobicContact CB-CB 3.87Å; L122-E146 HydrophobicContact CD1-CB 4.32Å; L122-E146 HydrophobicContact CD1-CG 4.25Å
123F94.3Very high94.5Very high4 Ų442 Ų422%0.01821%0.212CC..Hα-helixtrans-75.9-43.2176.3173.1-124.6000111.9W119 L120 E121 E125 R126 L127 M139 C140 A143 F173W119-F123 WeakPolarHBondContact O-CB 3.12Å; W119-F123 PolarHBondContact O-N 3.44Å; L120-F123 HydrophobicContact CD1-CD1 4.3Å; L120-F123 PolarHBondContact O-N 3.3Å; E121-F123 VanDerWaalsContact C-N 3.25Å; E121-F123 PolarHBondContact O-N 3.32Å; F123-E125 VanDerWaalsContact C-N 3.34Å; F123-R126 PolarHBondContact O-N 3.49Å; F123-L127 HydrophobicContact CD1-CD1 4.15Å; F123-L127 HydrophobicContact CD2-CD1 4.48Å; F123-L127 HydrophobicContact CD2-CG 4.45Å; F123-L127 HydrophobicContact CE1-CD1 3.58Å; F123-L127 HydrophobicContact CE1-CG 4.46Å; F123-L127 HydrophobicContact CE2-CD1 3.96Å; F123-L127 HydrophobicContact CE2-CG 3.95Å; F123-L127 HydrophobicContact CZ-CD1 3.47Å; F123-L127 VanDerWaalsContact CZ-CD1 3.47Å; F123-L127 HydrophobicContact CZ-CD2 4.45Å; F123-L127 HydrophobicContact CZ-CG 3.96Å; F123-L127 PolarHBondContact O-N 3.41Å; F123-M139 HydrophobicContact CD2-CB 4.29Å; F123-M139 HydrophobicContact CE2-CB 4.27Å; F123-C140 HydrophobicContact CD2-CB 3.76Å; F123-C140 HydrophobicContact CE2-CB 3.64Å; F123-C140 HydrophobicContact CG-CB 4.41Å; F123-C140 HydrophobicContact CZ-CB 4.18Å; F123-A143 HydrophobicContact CB-CB 3.93Å; F123-F173 HydrophobicContact CE1-CD1 4.31Å; F123-F173 AromaticContact CE1-CE1 3.52Å; F123-F173 HydrophobicContact CE1-CE1 3.52Å; F123-F173 AromaticContact CE1-CZ 3.86Å; F123-F173 HydrophobicContact CE1-CZ 3.86Å; F123-F173 HydrophobicContact CZ-CD1 4.29Å; F123-F173 AromaticContact CZ-CE1 3.63Å; F123-F173 HydrophobicContact CZ-CE1 3.63Å; F123-F173 HydrophobicContact CZ-CE2 4.24Å; F123-F173 AromaticContact CZ-CZ 3.62Å; F123-F173 HydrophobicContact CZ-CZ 3.62Å
124L93.3Very high94.3Very high2 Ų243.6 Ų43.61%0.0122%0.223CC..Hα-helixtrans-66.4-35.4177.8-72.1177.7000111.9F44 L120 E121 L127 Q128 M177 L189 L193F44-L124 HydrophobicContact CE1-CD2 4.22Å; F44-L124 HydrophobicContact CZ-CD2 4.37Å; L120-L124 HydrophobicContact CD1-CD1 4.36Å; L120-L124 HydrophobicContact CD1-CG 4.21Å; L120-L124 HydrophobicContact CG-CD1 4.01Å; L120-L124 HydrophobicContact CG-CG 4.3Å; L120-L124 WeakPolarHBondContact O-CB 3.1Å; L120-L124 VanDerWaalsContact O-CG 3.25Å; L120-L124 WeakPolarHBondContact O-CG 3.32Å; L120-L124 PolarHBondContact O-N 2.74Å; E121-L124 PolarHBondContact O-N 3.17Å; L124-L127 HydrophobicContact CD2-CD1 4.19Å; L124-L127 WeakPolarHBondContact O-CB 3.38Å; L124-L127 PolarHBondContact O-N 3.31Å; L124-Q128 WeakPolarHBondContact O-CB 3.33Å; L124-Q128 PolarHBondContact O-N 3.24Å; L124-M177 HydrophobicContact CD2-CE 3.75Å; L124-L189 HydrophobicContact CB-CD2 4.14Å; L124-L189 HydrophobicContact CD2-CD2 4.04Å; L124-L189 HydrophobicContact CG-CD2 4.48Å; L124-L193 HydrophobicContact CB-CD2 3.76Å
125E95.2Very high94.1Very high91 Ų9147.8 Ų47.843%0.42525%0.246SC..Hα-helixtrans-62-49172.1-175.3-179.4-166.800111.3E121 F123 L127 Q128 T129 L193E121-E125 WeakPolarHBondContact O-CB 3.48Å; E121-E125 PolarHBondContact O-N 3.25Å; F123-E125 VanDerWaalsContact C-N 3.34Å; E125-L127 VanDerWaalsContact C-N 3.29Å; E125-L127 PolarHBondContact O-N 3.1Å; E125-Q128 WeakPolarHBondContact O-CB 3.46Å; E125-Q128 PolarHBondContact O-N 3.28Å; E125-Q128 VanDerWaalsContact O-N 3.09Å; E125-T129 PolarHBondContact O-N 3.29Å; E125-T129 PolarHBondContact O-OG1 3.48Å; E125-L193 HydrophobicContact CB-CD1 4.09Å; E125-L193 HydrophobicContact CB-CD2 4.4Å
126R95.9Very high93.8Very high48 Ų4846.5 Ų46.518%0.18124%0.242CC..Hα-helixtrans-59.1-40.9174.5-73174.9175.383.2-3.8111.8L122 F123 T129 S130 M139 E142 E146L122-R126 VanDerWaalsContact O-CG 3.31Å; L122-R126 WeakPolarHBondContact O-CG 3.38Å; L122-R126 PolarHBondContact O-N 2.91Å; L122-R126 PolarHBondContact O-NH1 3.35Å; F123-R126 PolarHBondContact O-N 3.49Å; R126-T129 PolarHBondContact O-N 3.45Å; R126-T129 PolarHBondContact O-OG1 3.05Å; R126-S130 VanDerWaalsContact O-CB 3.28Å; R126-S130 WeakPolarHBondContact O-CB 3.45Å; R126-S130 PolarHBondContact O-N 2.94Å; R126-S130 VanDerWaalsContact O-N 3.09Å; R126-M139 HydrophobicContact CB-CB 4.06Å; R126-M139 HydrophobicContact CB-CG 4.14Å; R126-M139 HydrophobicContact CB-SD 3.89Å; R126-M139 WeakPolarHBondContact CD-O 3.45Å; R126-E142 IonicContact NE-OE2 3.39Å; R126-E146 IonicContact CZ-OE2 2.78Å; R126-E146 IonicContact NH1-OE2 3.91Å; R126-E146 IonicContact NH2-OE2 3.77Å; R126-E146 PolarHBondContact NH2-OE2 2.83Å
127L92.9Very high93.7Very high0 Ų047 Ų470%024%0.244CC..Hα-helixtrans-62.2-42174.3-85.2172.5000112F123 L124 E125 T129 S130 T136 M139 F173 F174 M177F123-L127 HydrophobicContact CD1-CD1 4.15Å; F123-L127 HydrophobicContact CD2-CD1 4.48Å; F123-L127 HydrophobicContact CD2-CG 4.45Å; F123-L127 HydrophobicContact CE1-CD1 3.58Å; F123-L127 HydrophobicContact CE1-CG 4.46Å; F123-L127 HydrophobicContact CE2-CD1 3.96Å; F123-L127 HydrophobicContact CE2-CG 3.95Å; F123-L127 HydrophobicContact CZ-CD1 3.47Å; F123-L127 VanDerWaalsContact CZ-CD1 3.47Å; F123-L127 HydrophobicContact CZ-CD2 4.45Å; F123-L127 HydrophobicContact CZ-CG 3.96Å; F123-L127 PolarHBondContact O-N 3.41Å; L124-L127 HydrophobicContact CD2-CD1 4.19Å; L124-L127 WeakPolarHBondContact O-CB 3.38Å; L124-L127 PolarHBondContact O-N 3.31Å; E125-L127 VanDerWaalsContact C-N 3.29Å; E125-L127 PolarHBondContact O-N 3.1Å; L127-T129 VanDerWaalsContact C-N 3.32Å; L127-T129 PolarHBondContact O-N 3.45Å; L127-S130 WeakPolarHBondContact O-CB 3.29Å; L127-S130 PolarHBondContact O-N 3.44Å; L127-S130 PolarHBondContact O-OG 3.1Å; L127-T136 HydrophobicContact CD2-CG2 4.01Å; L127-M139 HydrophobicContact CD2-CE 3.88Å; L127-M139 HydrophobicContact CG-CE 4.46Å; L127-F173 HydrophobicContact CD1-CD1 3.83Å; L127-F173 HydrophobicContact CD1-CE1 4.28Å; L127-F173 HydrophobicContact CD1-CG 4.32Å; L127-F173 HydrophobicContact CD2-CB 4.42Å; L127-F173 HydrophobicContact CD2-CG 4.45Å; L127-F174 HydrophobicContact CD2-CE1 4.39Å; L127-M177 HydrophobicContact CD1-CE 4.07Å
128Q93.6Very high93.6Very high53 Ų5350.3 Ų50.325%0.24826%0.264CS..Hα-helixtrans-60.6-41.8178.1-171.2-160.315.700111.6L124 E125 S130 M186 L189 G190 L193L124-Q128 WeakPolarHBondContact O-CB 3.33Å; L124-Q128 PolarHBondContact O-N 3.24Å; E125-Q128 WeakPolarHBondContact O-CB 3.46Å; E125-Q128 PolarHBondContact O-N 3.28Å; E125-Q128 VanDerWaalsContact O-N 3.09Å; Q128-S130 VanDerWaalsContact C-N 3.32Å; Q128-M186 PolarHBondContact NE2-O 3.27Å; Q128-L189 HydrophobicContact CB-CB 4.02Å; Q128-L189 HydrophobicContact CB-CD1 4.04Å; Q128-L189 HydrophobicContact CG-CB 3.82Å; Q128-L189 HydrophobicContact CG-CD1 4.48Å; Q128-G190 VanDerWaalsContact NE2-N 3.17Å; Q128-L193 HydrophobicContact CB-CD1 4.1Å
129T93.6Very high93.6Very high107 Ų10748 Ų4866%0.65626%0.256SS*.THydrogen-bonded Turntrans-918.3-178.763.10000113.6E125 R126 L127E125-T129 PolarHBondContact O-N 3.29Å; E125-T129 PolarHBondContact O-OG1 3.48Å; R126-T129 PolarHBondContact O-N 3.45Å; R126-T129 PolarHBondContact O-OG1 3.05Å; L127-T129 VanDerWaalsContact C-N 3.32Å; L127-T129 PolarHBondContact O-N 3.45Å
130S94.4Very high93.4Very high12 Ų1247.2 Ų47.28%0.08425%0.253CS..  trans-82.7149.4-174.567.80000113.7R126 L127 Q128 R170R126-S130 VanDerWaalsContact O-CB 3.28Å; R126-S130 WeakPolarHBondContact O-CB 3.45Å; R126-S130 PolarHBondContact O-N 2.94Å; R126-S130 VanDerWaalsContact O-N 3.09Å; L127-S130 WeakPolarHBondContact O-CB 3.29Å; L127-S130 PolarHBondContact O-N 3.44Å; L127-S130 PolarHBondContact O-OG 3.1Å; Q128-S130 VanDerWaalsContact C-N 3.32Å; S130-R170 PolarHBondContact O-NE 2.65Å; S130-R170 PolarHBondContact O-NH2 2.95Å; S130-R170 VanDerWaalsContact OG-CD 3.22Å; S130-R170 WeakPolarHBondContact OG-CD 3.47Å; S130-R170 PolarHBondContact OG-NE 3.43Å
131T92.6Very high93.5Very high85 Ų8548.7 Ų48.752%0.52126%0.264SS..  trans-93.4170.7170.764.10000111.5D133 S134 R170T131-D133 PolarHBondContact O-N 3.34Å; T131-S134 PolarHBondContact N-OG 3.17Å; T131-S134 WeakPolarHBondContact O-CB 3.29Å; T131-S134 PolarHBondContact O-N 3.01Å; T131-S134 PolarHBondContact O-OG 2.74Å; T131-S134 PolarHBondContact OG1-OG 2.71Å; T131-S134 VanDerWaalsContact OG1-OG 3.07Å; T131-R170 WeakPolarHBondContact O-CD 3.24Å
132E88.1Confident93.6Very high167 Ų16753 Ų5378%0.7828%0.284SS*.THydrogen-bonded Turntrans-58.5-32.7178.7-64-175.6173.100113.5S134E132-S134 VanDerWaalsContact C-N 3.29Å; E132-S134 PolarHBondContact O-N 3.19Å
133D89.1Confident93.6Very high160 Ų16052.8 Ų52.886%0.85628%0.283SS*.THydrogen-bonded Turntrans-82.8-2.7179-60.6-48.5000113.8T131T131-D133 PolarHBondContact O-N 3.34Å
134S93.4Very high93.7Very high35 Ų3552.9 Ų52.925%0.24528%0.283CS..  trans-70.1134.9-176-65.10000112.1T131 E132T131-S134 PolarHBondContact N-OG 3.17Å; T131-S134 WeakPolarHBondContact O-CB 3.29Å; T131-S134 PolarHBondContact O-N 3.01Å; T131-S134 PolarHBondContact O-OG 2.74Å; T131-S134 PolarHBondContact OG1-OG 2.71Å; T131-S134 VanDerWaalsContact OG1-OG 3.07Å; E132-S134 VanDerWaalsContact C-N 3.29Å; E132-S134 PolarHBondContact O-N 3.19Å
135N93.2Very high93.9Very high89 Ų8957.2 Ų57.248%0.47631%0.307SS..  trans-90.4112-178.4-171.9-53.6000111.3S137 V138 M139N135-S137 VanDerWaalsContact C-N 3.34Å; N135-S137 PolarHBondContact O-N 3.49Å; N135-S137 WeakPolarHBondContact OD1-CA 3.42Å; N135-S137 VanDerWaalsContact OD1-CB 3.23Å; N135-S137 WeakPolarHBondContact OD1-CB 3.5Å; N135-S137 PolarHBondContact OD1-N 3.1Å; N135-V138 HydrophobicContact CB-CB 4.15Å; N135-V138 HydrophobicContact CB-CG2 3.93Å; N135-V138 PolarHBondContact O-N 3.36Å; N135-V138 PolarHBondContact OD1-N 3.13Å; N135-V138 VanDerWaalsContact OD1-N 3.09Å; N135-M139 WeakPolarHBondContact O-CG 3.39Å; N135-M139 PolarHBondContact O-N 3.32Å
136T92.2Very high94Very high4 Ų457.4 Ų57.43%0.02531%0.307CS..Hα-helixtrans-62.4-36.1-179.747.60000113.3L127 V138 M139 C140 P168 R170 F173L127-T136 HydrophobicContact CD2-CG2 4.01Å; T136-V138 VanDerWaalsContact C-N 3.35Å; T136-V138 PolarHBondContact O-N 2.77Å; T136-M139 HydrophobicContact CG2-CE 3.96Å; T136-M139 PolarHBondContact O-N 2.77Å; T136-C140 WeakPolarHBondContact O-CB 3.39Å; T136-C140 PolarHBondContact O-N 3.41Å; T136-P168 WeakPolarHBondContact CB-O 3.28Å; T136-P168 PolarHBondContact OG1-O 3.3Å; T136-R170 HydrophobicContact CG2-CB 4.04Å; T136-F173 HydrophobicContact CG2-CD2 3.79Å; T136-F173 HydrophobicContact CG2-CE2 4.12Å
137S92.7Very high94Very high25 Ų2555.7 Ų55.718%0.17530%0.303CS..Hα-helixtrans-61.3-43.1174.3-570000112.1N135 S141 F164N135-S137 VanDerWaalsContact C-N 3.34Å; N135-S137 PolarHBondContact O-N 3.49Å; N135-S137 WeakPolarHBondContact OD1-CA 3.42Å; N135-S137 VanDerWaalsContact OD1-CB 3.23Å; N135-S137 WeakPolarHBondContact OD1-CB 3.5Å; N135-S137 PolarHBondContact OD1-N 3.1Å; S137-S141 VanDerWaalsContact O-CB 3.26Å; S137-S141 WeakPolarHBondContact O-CB 3.42Å; S137-S141 PolarHBondContact O-N 2.94Å; S137-F164 WeakPolarHBondContact CB-O 3.5Å; S137-F164 PolarHBondContact OG-O 2.94Å
138V95Very high94.1Very high72 Ų7256.5 Ų56.544%0.43631%0.307SS..Hα-helixtrans-65.5-52.5177.8175.80000110.1N135 T136 C140 S141 E142N135-V138 HydrophobicContact CB-CB 4.15Å; N135-V138 HydrophobicContact CB-CG2 3.93Å; N135-V138 PolarHBondContact O-N 3.36Å; N135-V138 PolarHBondContact OD1-N 3.13Å; N135-V138 VanDerWaalsContact OD1-N 3.09Å; T136-V138 VanDerWaalsContact C-N 3.35Å; T136-V138 PolarHBondContact O-N 2.77Å; V138-C140 VanDerWaalsContact C-N 3.31Å; V138-C140 PolarHBondContact O-N 2.95Å; V138-S141 PolarHBondContact O-N 3.41Å; V138-S141 VanDerWaalsContact O-N 3.12Å; V138-E142 HydrophobicContact CG1-CG 4.32Å; V138-E142 WeakPolarHBondContact O-CG 3.37Å; V138-E142 PolarHBondContact O-N 3.3Å
139M95.5Very high94.2Very high19 Ų1954.2 Ų54.29%0.09430%0.297CS..Hα-helixtrans-56.8-43.8179.8-67.7-173.2-65.400112.3F123 R126 L127 N135 T136 E142 A143F123-M139 HydrophobicContact CD2-CB 4.29Å; F123-M139 HydrophobicContact CE2-CB 4.27Å; R126-M139 HydrophobicContact CB-CB 4.06Å; R126-M139 HydrophobicContact CB-CG 4.14Å; R126-M139 HydrophobicContact CB-SD 3.89Å; R126-M139 WeakPolarHBondContact CD-O 3.45Å; L127-M139 HydrophobicContact CD2-CE 3.88Å; L127-M139 HydrophobicContact CG-CE 4.46Å; N135-M139 WeakPolarHBondContact O-CG 3.39Å; N135-M139 PolarHBondContact O-N 3.32Å; T136-M139 HydrophobicContact CG2-CE 3.96Å; T136-M139 PolarHBondContact O-N 2.77Å; M139-E142 PolarHBondContact O-N 3.45Å; M139-A143 WeakPolarHBondContact O-CB 3.41Å; M139-A143 PolarHBondContact O-N 3.39Å
140C92.9Very high94.3Very high0 Ų055.9 Ų55.90%030%0.298CS..Hα-helixtrans-66.9-41178.3-173.80000112.2W119 F123 T136 V138 Y144 F164 L167W119-C140 PolarHBondContact NE1-O 3.45Å; F123-C140 HydrophobicContact CD2-CB 3.76Å; F123-C140 HydrophobicContact CE2-CB 3.64Å; F123-C140 HydrophobicContact CG-CB 4.41Å; F123-C140 HydrophobicContact CZ-CB 4.18Å; T136-C140 WeakPolarHBondContact O-CB 3.39Å; T136-C140 PolarHBondContact O-N 3.41Å; V138-C140 VanDerWaalsContact C-N 3.31Å; V138-C140 PolarHBondContact O-N 2.95Å; C140-Y144 WeakPolarHBondContact O-CB 3.35Å; C140-Y144 PolarHBondContact O-N 3.34Å; C140-F164 HydrophobicContact CB-CD1 4.4Å; C140-F164 WeakPolarHBondContact SG-CD1 3.34Å; C140-F164 WeakPolarHBondContact SG-CE1 2.98Å; C140-L167 HydrophobicContact CB-CD1 3.3Å
141S94.6Very high94.2Very high35 Ų3558.7 Ų58.725%0.24531%0.309CS..Hα-helixtrans-66.4-39.1177.4-175.80000112.1S137 V138 Y144 N145S137-S141 VanDerWaalsContact O-CB 3.26Å; S137-S141 WeakPolarHBondContact O-CB 3.42Å; S137-S141 PolarHBondContact O-N 2.94Å; V138-S141 PolarHBondContact O-N 3.41Å; V138-S141 VanDerWaalsContact O-N 3.12Å; S141-Y144 PolarHBondContact O-N 3.34Å; S141-N145 WeakPolarHBondContact O-CB 3.42Å; S141-N145 VanDerWaalsContact O-CG 3.27Å; S141-N145 PolarHBondContact O-N 2.9Å; S141-N145 PolarHBondContact O-ND2 3.38Å
142E96.9Very high94.2Very high100 Ų10057.7 Ų57.747%0.46730%0.298SS..Hα-helixtrans-65.8-50.2176.7-73.5177171.400111.2R126 V138 M139 Y144 N145 E146R126-E142 IonicContact NE-OE2 3.39Å; V138-E142 HydrophobicContact CG1-CG 4.32Å; V138-E142 WeakPolarHBondContact O-CG 3.37Å; V138-E142 PolarHBondContact O-N 3.3Å; M139-E142 PolarHBondContact O-N 3.45Å; E142-Y144 PolarHBondContact O-N 2.83Å; E142-N145 PolarHBondContact O-N 3.14Å; E142-N145 VanDerWaalsContact O-N 3.14Å; E142-E146 WeakPolarHBondContact O-CB 3.4Å; E142-E146 PolarHBondContact O-N 3.41Å
143A96.6Very high94.5Very high0 Ų052.8 Ų52.80%029%0.286CS..Hα-helixtrans-54.1-42.1175.100000111.6L122 F123 M139 S147L122-A143 HydrophobicContact CB-CB 3.87Å; F123-A143 HydrophobicContact CB-CB 3.93Å; M139-A143 WeakPolarHBondContact O-CB 3.41Å; M139-A143 PolarHBondContact O-N 3.39Å; A143-S147 PolarHBondContact O-N 3.08Å; A143-S147 PolarHBondContact O-OG 3.39Å
144Y95.6Very high94.7Very high7 Ų752.7 Ų52.73%0.02727%0.274CS..Hα-helixtrans-64.9-46.1178.8175-100.5000112.3W119 C140 S141 E142 E146 S147 L148 A149 H152 R157 A160 F164W119-Y144 VanDerWaalsContact CD1-N 3.3Å; C140-Y144 WeakPolarHBondContact O-CB 3.35Å; C140-Y144 PolarHBondContact O-N 3.34Å; S141-Y144 PolarHBondContact O-N 3.34Å; E142-Y144 PolarHBondContact O-N 2.83Å; Y144-E146 VanDerWaalsContact C-N 3.31Å; Y144-E146 PolarHBondContact O-N 3.23Å; Y144-S147 CarbonylContact O-C 3.51Å; Y144-S147 PolarHBondContact O-N 2.67Å; Y144-L148 HydrophobicContact CD2-CB 3.99Å; Y144-L148 HydrophobicContact CD2-CD2 4.3Å; Y144-L148 HydrophobicContact CD2-CG 4.44Å; Y144-L148 HydrophobicContact CE2-CB 4.06Å; Y144-L148 HydrophobicContact CE2-CD2 4.12Å; Y144-L148 HydrophobicContact CE2-CG 4.12Å; Y144-L148 PolarHBondContact O-N 3.49Å; Y144-A149 HydrophobicContact CD1-CB 3.84Å; Y144-A149 HydrophobicContact CE1-CB 3.56Å; Y144-A149 HydrophobicContact CG-CB 4.5Å; Y144-A149 WeakPolarHBondContact O-CB 3.27Å; Y144-A149 PolarHBondContact O-N 3.02Å; Y144-H152 AromaticContact CE2-ND1 3.54Å; Y144-H152 AromaticContact CZ-ND1 3.6Å; Y144-H152 WeakPolarHBondContact OH-CB 3.36Å; Y144-H152 PolarHBondContact OH-ND1 3.26Å; Y144-R157 HydrophobicContact CE1-CB 4.35Å; Y144-R157 HydrophobicContact CE1-CG 4.26Å; Y144-R157 WeakPolarHBondContact OH-CA 3.49Å; Y144-A160 HydrophobicContact CE1-CB 3.97Å; Y144-A160 HydrophobicContact CE2-CB 4.07Å; Y144-F164 AromaticContact CD1-CE2 3.78Å; Y144-F164 HydrophobicContact CD1-CE2 3.78Å; Y144-F164 HydrophobicContact CD1-CZ 4.16Å; Y144-F164 HydrophobicContact CD2-CE2 4.33Å; Y144-F164 AromaticContact CD2-CZ 3.87Å; Y144-F164 HydrophobicContact CD2-CZ 3.87Å; Y144-F164 AromaticContact CG-CE2 3.63Å; Y144-F164 HydrophobicContact CG-CE2 3.63Å; Y144-F164 AromaticContact CG-CZ 3.6Å; Y144-F164 HydrophobicContact CG-CZ 3.6Å
145N96.9Very high94.7Very high93 Ų9356.1 Ų56.150%0.49729%0.289SS..Hα-helixtrans-67.4-32.9-179-73.6-35.3000112.6S141 E142 S147S141-N145 WeakPolarHBondContact O-CB 3.42Å; S141-N145 VanDerWaalsContact O-CG 3.27Å; S141-N145 PolarHBondContact O-N 2.9Å; S141-N145 PolarHBondContact O-ND2 3.38Å; E142-N145 PolarHBondContact O-N 3.14Å; E142-N145 VanDerWaalsContact O-N 3.14Å; N145-S147 VanDerWaalsContact C-N 3.31Å
146E97.5Very high94.7Very high95 Ų9555.8 Ų55.844%0.44429%0.286SS..Hα-helixtrans-69.1-29.6176.4-168.6-178.2139.800112.5L122 R126 E142 Y144 Q150L122-E146 HydrophobicContact CD1-CB 4.32Å; L122-E146 HydrophobicContact CD1-CG 4.25Å; R126-E146 IonicContact CZ-OE2 2.78Å; R126-E146 IonicContact NH1-OE2 3.91Å; R126-E146 IonicContact NH2-OE2 3.77Å; R126-E146 PolarHBondContact NH2-OE2 2.83Å; E142-E146 WeakPolarHBondContact O-CB 3.4Å; E142-E146 PolarHBondContact O-N 3.41Å; Y144-E146 VanDerWaalsContact C-N 3.31Å; Y144-E146 PolarHBondContact O-N 3.23Å; E146-Q150 PolarHBondContact O-NE2 2.87Å
147S96.4Very high94.7Very high11 Ų1160.9 Ų60.98%0.07731%0.305CS..THydrogen-bonded Turntrans-123.2-93.9-171.359.90000112.7W119 A143 Y144 N145 A149 Q150W119-S147 VanDerWaalsContact CA-OG 3.22Å; W119-S147 WeakPolarHBondContact CA-OG 3.39Å; W119-S147 WeakPolarHBondContact CB-OG 3.34Å; A143-S147 PolarHBondContact O-N 3.08Å; A143-S147 PolarHBondContact O-OG 3.39Å; Y144-S147 CarbonylContact O-C 3.51Å; Y144-S147 PolarHBondContact O-N 2.67Å; N145-S147 VanDerWaalsContact C-N 3.31Å; S147-A149 PolarHBondContact O-N 3.37Å; S147-Q150 WeakPolarHBondContact O-CB 3.45Å; S147-Q150 WeakPolarHBondContact O-CG 3.25Å; S147-Q150 PolarHBondContact O-N 3.44Å; S147-Q150 VanDerWaalsContact O-N 3.09Å
148L94.8Very high94.7Very high17 Ų1765.3 Ų65.39%0.08932%0.321CS..G310 helixtrans-61-26.7-165.9-171.361.7000113.9R115 A116 W119 Y144 Q150 H151R115-L148 HydrophobicContact CB-CD1 3.89Å; A116-L148 HydrophobicContact CB-CD2 4.33Å; W119-L148 HydrophobicContact CB-CB 3.95Å; W119-L148 HydrophobicContact CB-CD2 4.47Å; W119-L148 HydrophobicContact CE3-CD2 4.43Å; W119-L148 HydrophobicContact CG-CB 4.46Å; Y144-L148 HydrophobicContact CD2-CB 3.99Å; Y144-L148 HydrophobicContact CD2-CD2 4.3Å; Y144-L148 HydrophobicContact CD2-CG 4.44Å; Y144-L148 HydrophobicContact CE2-CB 4.06Å; Y144-L148 HydrophobicContact CE2-CD2 4.12Å; Y144-L148 HydrophobicContact CE2-CG 4.12Å; Y144-L148 PolarHBondContact O-N 3.49Å; L148-Q150 PolarHBondContact O-N 3.39Å; L148-Q150 VanDerWaalsContact O-N 3.16Å; L148-H151 PolarHBondContact O-N 3.46Å
149A95.7Very high94.4Very high5 Ų564.7 Ų64.74%0.04132%0.323CS..G310 helixtrans-57.8-28.4177.100000113.4Y144 S147 H151 H152 R157Y144-A149 HydrophobicContact CD1-CB 3.84Å; Y144-A149 HydrophobicContact CE1-CB 3.56Å; Y144-A149 HydrophobicContact CG-CB 4.5Å; Y144-A149 WeakPolarHBondContact O-CB 3.27Å; Y144-A149 PolarHBondContact O-N 3.02Å; S147-A149 PolarHBondContact O-N 3.37Å; A149-H151 PolarHBondContact O-N 2.93Å; A149-H152 PolarHBondContact O-N 2.78Å; A149-R157 HydrophobicContact CB-CG 4.4Å; A149-R157 WeakPolarHBondContact O-CD 3.45Å
150Q95.6Very high94.1Very high143 Ų14364.5 Ų64.567%0.66833%0.325SS*.G310 helixtrans-64.6-23.5179.3-58.1-178.120.800112.2E146 S147 L148E146-Q150 PolarHBondContact O-NE2 2.87Å; S147-Q150 WeakPolarHBondContact O-CB 3.45Å; S147-Q150 WeakPolarHBondContact O-CG 3.25Å; S147-Q150 PolarHBondContact O-N 3.44Å; S147-Q150 VanDerWaalsContact O-N 3.09Å; L148-Q150 PolarHBondContact O-N 3.39Å; L148-Q150 VanDerWaalsContact O-N 3.16Å
151H93.6Very high93.9Very high71 Ų7165.7 Ų65.733%0.32934%0.337SS..G310 helixtrans-103.6-0.8-177.4-50.5-62.4000113.5R115 L148 A149R115-H151 VanDerWaalsContact CD-CD2 3.45Å; R115-H151 WeakPolarHBondContact CD-CD2 3.28Å; R115-H151 PolarHBondContact NE-CE1 3.4Å; R115-H151 PolarHBondContact NE-ND1 3.26Å; R115-H151 PolarHBondContact NH1-ND1 2.79Å; R115-H151 PolarHBondContact NH2-ND1 3.46Å; L148-H151 PolarHBondContact O-N 3.46Å; A149-H151 PolarHBondContact O-N 2.93Å
152H92.8Very high93.6Very high63 Ų6369 Ų6929%0.29236%0.356SS..SBendtrans-106.8134.8-175.7-77.6175000112.2Y144 A149 I156 R157Y144-H152 AromaticContact CE2-ND1 3.54Å; Y144-H152 AromaticContact CZ-ND1 3.6Å; Y144-H152 WeakPolarHBondContact OH-CB 3.36Å; Y144-H152 PolarHBondContact OH-ND1 3.26Å; A149-H152 PolarHBondContact O-N 2.78Å; H152-I156 HydrophobicContact CB-CB 4.08Å; H152-I156 HydrophobicContact CB-CG2 3.96Å; H152-I156 WeakPolarHBondContact ND1-CG2 3.26Å; H152-R157 HydrophobicContact CB-CG 3.96Å
153A93.7Very high93.2Very high64 Ų6465 Ų6553%0.52934%0.34SS..  trans-58.9154.5171.200000111.1I155 I156 R157A153-I155 HydrophobicContact CB-CG2 4.46Å; A153-I155 PolarHBondContact O-N 2.68Å; A153-I155 VanDerWaalsContact O-N 3.1Å; A153-I156 WeakPolarHBondContact O-CB 3.43Å; A153-I156 PolarHBondContact O-N 3.2Å; A153-R157 PolarHBondContact O-N 3.39Å; A153-R157 VanDerWaalsContact O-N 3.09Å
154W93.6Very high92.8Very high159 Ų15965.3 Ų65.360%0.60234%0.341SS*.Hα-helixtrans-50.7-41.8-175.917691.1000113.6I156 R157 K158W154-I156 VanDerWaalsContact C-N 3.33Å; W154-I156 PolarHBondContact O-N 3.27Å; W154-R157 PolarHBondContact O-N 3.31Å; W154-K158 HydrophobicContact CD2-CG 4.15Å; W154-K158 HydrophobicContact CE3-CG 4.45Å; W154-K158 HydrophobicContact CH2-CG 4.13Å; W154-K158 HydrophobicContact CZ2-CD 4.32Å; W154-K158 HydrophobicContact CZ2-CG 3.82Å; W154-K158 HydrophobicContact CZ3-CG 4.43Å; W154-K158 PolarHBondContact O-N 3.49Å
155I93.6Very high92.5Very high107 Ų10775.6 Ų75.655%0.54938%0.38SS..Hα-helixtrans-63.4-38.7179.7-170.263.2000112.4A153 K158 A159A153-I155 HydrophobicContact CB-CG2 4.46Å; A153-I155 PolarHBondContact O-N 2.68Å; A153-I155 VanDerWaalsContact O-N 3.1Å; I155-K158 PolarHBondContact O-N 3.29Å; I155-A159 PolarHBondContact O-N 3.06Å
156I91.8Very high92Very high82 Ų8273.9 Ų73.942%0.42138%0.378SS..Hα-helixtrans-69.3-40.6177.9-56.9-57.1000110.1H152 A153 W154 K158 A159 A160H152-I156 HydrophobicContact CB-CB 4.08Å; H152-I156 HydrophobicContact CB-CG2 3.96Å; H152-I156 WeakPolarHBondContact ND1-CG2 3.26Å; A153-I156 WeakPolarHBondContact O-CB 3.43Å; A153-I156 PolarHBondContact O-N 3.2Å; W154-I156 VanDerWaalsContact C-N 3.33Å; W154-I156 PolarHBondContact O-N 3.27Å; I156-K158 VanDerWaalsContact C-N 3.3Å; I156-K158 PolarHBondContact O-N 3.46Å; I156-A159 PolarHBondContact O-N 3.2Å; I156-A160 WeakPolarHBondContact O-CB 3.28Å; I156-A160 PolarHBondContact O-N 3.22Å
157R93.4Very high91.5Very high111 Ų11170 Ų7042%0.41936%0.361SS..Hα-helixtrans-59.6-39.6174-61.5-169.8-67.5-162.9-2.3112.5Y144 A149 H152 A153 W154 G161Y144-R157 HydrophobicContact CE1-CB 4.35Å; Y144-R157 HydrophobicContact CE1-CG 4.26Å; Y144-R157 WeakPolarHBondContact OH-CA 3.49Å; A149-R157 HydrophobicContact CB-CG 4.4Å; A149-R157 WeakPolarHBondContact O-CD 3.45Å; H152-R157 HydrophobicContact CB-CG 3.96Å; A153-R157 PolarHBondContact O-N 3.39Å; A153-R157 VanDerWaalsContact O-N 3.09Å; W154-R157 PolarHBondContact O-N 3.31Å; R157-G161 PolarHBondContact O-N 2.98Å
158K91.8Very high91.2Very high118 Ų11870.9 Ų70.951%0.51337%0.366SS..Hα-helixtrans-66.4-46.4175.5-70.2-59.5-172.9-178.10112.1W154 I155 I156 A160 G161 T162W154-K158 HydrophobicContact CD2-CG 4.15Å; W154-K158 HydrophobicContact CE3-CG 4.45Å; W154-K158 HydrophobicContact CH2-CG 4.13Å; W154-K158 HydrophobicContact CZ2-CD 4.32Å; W154-K158 HydrophobicContact CZ2-CG 3.82Å; W154-K158 HydrophobicContact CZ3-CG 4.43Å; W154-K158 PolarHBondContact O-N 3.49Å; I155-K158 PolarHBondContact O-N 3.29Å; I156-K158 VanDerWaalsContact C-N 3.3Å; I156-K158 PolarHBondContact O-N 3.46Å; K158-A160 VanDerWaalsContact C-N 3.34Å; K158-A160 PolarHBondContact O-N 3.29Å; K158-G161 PolarHBondContact O-N 2.9Å; K158-T162 PolarHBondContact O-N 3.46Å; K158-T162 PolarHBondContact O-OG1 3.48Å
159A89.9Confident91Very high59 Ų5972 Ų7249%0.48838%0.382SS..Hα-helixtrans-59.4-44.3176.500000112.1I155 I156 T162 A163I155-A159 PolarHBondContact O-N 3.06Å; I156-A159 PolarHBondContact O-N 3.2Å; A159-T162 PolarHBondContact O-N 3.04Å; A159-A163 WeakPolarHBondContact O-CB 3.36Å; A159-A163 PolarHBondContact O-N 3.16Å
160A88.9Confident90.9Very high15 Ų1573.1 Ų73.112%0.12439%0.385CS..Hα-helixtrans-60.7-47.6176.300000111.9Y144 I156 K158 T162 A163 F164Y144-A160 HydrophobicContact CE1-CB 3.97Å; Y144-A160 HydrophobicContact CE2-CB 4.07Å; I156-A160 WeakPolarHBondContact O-CB 3.28Å; I156-A160 PolarHBondContact O-N 3.22Å; K158-A160 VanDerWaalsContact C-N 3.34Å; K158-A160 PolarHBondContact O-N 3.29Å; A160-T162 VanDerWaalsContact C-N 3.31Å; A160-T162 PolarHBondContact O-N 3.42Å; A160-A163 WeakPolarHBondContact O-CB 3.08Å; A160-A163 PolarHBondContact O-N 2.99Å; A160-F164 HydrophobicContact CB-CE2 4.15Å; A160-F164 HydrophobicContact CB-CZ 4.02Å; A160-F164 VanDerWaalsContact O-CD2 3.31Å; A160-F164 WeakPolarHBondContact O-CD2 3.33Å; A160-F164 VanDerWaalsContact O-CG 3.24Å; A160-F164 WeakPolarHBondContact O-CG 3.29Å; A160-F164 PolarHBondContact O-N 3.42Å
161G88.9Confident90.7Very high24 Ų2469.4 Ų69.425%0.24738%0.379CS..Hα-helixtrans-57.7-41.417700000113R157 K158 F164R157-G161 PolarHBondContact O-N 2.98Å; K158-G161 PolarHBondContact O-N 2.9Å; G161-F164 PolarHBondContact O-N 2.82Å
162T88.3Confident90.5Very high106 Ų10669 Ų6965%0.6538%0.381SS*.Hα-helixtrans-65.3-40.4173.6-59.10000111.8K158 A159 A160 F164 W165K158-T162 PolarHBondContact O-N 3.46Å; K158-T162 PolarHBondContact O-OG1 3.48Å; A159-T162 PolarHBondContact O-N 3.04Å; A160-T162 VanDerWaalsContact C-N 3.31Å; A160-T162 PolarHBondContact O-N 3.42Å; T162-F164 VanDerWaalsContact C-N 3.31Å; T162-F164 PolarHBondContact O-N 3.1Å; T162-W165 WeakPolarHBondContact O-CB 3.42Å; T162-W165 PolarHBondContact O-N 3.08Å
163A87.2Confident90.4Very high15 Ų1566 Ų6612%0.12437%0.367CS..Hα-helixtrans-64.9-34.7178.900000112.7V51 I55 A159 A160 W165 A166V51-A163 HydrophobicContact CG1-CB 3.63Å; I55-A163 HydrophobicContact CD1-CB 3.85Å; A159-A163 WeakPolarHBondContact O-CB 3.36Å; A159-A163 PolarHBondContact O-N 3.16Å; A160-A163 WeakPolarHBondContact O-CB 3.08Å; A160-A163 PolarHBondContact O-N 2.99Å; A163-W165 PolarHBondContact O-N 2.96Å; A163-A166 WeakPolarHBondContact O-CB 3.41Å; A163-A166 PolarHBondContact O-N 3.47Å
164F89.7Confident90.3Very high6 Ų663.2 Ų63.23%0.02634%0.344CS..Hα-helixtrans-63.8-22.5177.1-59.1-31.5000113.5W119 S137 C140 Y144 A160 G161 T162 A166 L167W119-F164 HydrophobicContact CZ2-CE1 4.05Å; W119-F164 HydrophobicContact CZ2-CZ 4.46Å; S137-F164 WeakPolarHBondContact CB-O 3.5Å; S137-F164 PolarHBondContact OG-O 2.94Å; C140-F164 HydrophobicContact CB-CD1 4.4Å; C140-F164 WeakPolarHBondContact SG-CD1 3.34Å; C140-F164 WeakPolarHBondContact SG-CE1 2.98Å; Y144-F164 AromaticContact CD1-CE2 3.78Å; Y144-F164 HydrophobicContact CD1-CE2 3.78Å; Y144-F164 HydrophobicContact CD1-CZ 4.16Å; Y144-F164 HydrophobicContact CD2-CE2 4.33Å; Y144-F164 AromaticContact CD2-CZ 3.87Å; Y144-F164 HydrophobicContact CD2-CZ 3.87Å; Y144-F164 AromaticContact CG-CE2 3.63Å; Y144-F164 HydrophobicContact CG-CE2 3.63Å; Y144-F164 AromaticContact CG-CZ 3.6Å; Y144-F164 HydrophobicContact CG-CZ 3.6Å; A160-F164 HydrophobicContact CB-CE2 4.15Å; A160-F164 HydrophobicContact CB-CZ 4.02Å; A160-F164 VanDerWaalsContact O-CD2 3.31Å; A160-F164 WeakPolarHBondContact O-CD2 3.33Å; A160-F164 VanDerWaalsContact O-CG 3.24Å; A160-F164 WeakPolarHBondContact O-CG 3.29Å; A160-F164 PolarHBondContact O-N 3.42Å; G161-F164 PolarHBondContact O-N 2.82Å; T162-F164 VanDerWaalsContact C-N 3.31Å; T162-F164 PolarHBondContact O-N 3.1Å; F164-A166 PolarHBondContact O-N 3.16Å; F164-L167 HydrophobicContact CB-CD1 3.86Å; F164-L167 HydrophobicContact CD1-CD1 4.01Å; F164-L167 HydrophobicContact CG-CD1 4.28Å; F164-L167 VanDerWaalsContact O-CB 3.24Å; F164-L167 WeakPolarHBondContact O-CB 3.45Å; F164-L167 WeakPolarHBondContact O-CD1 3.34Å; F164-L167 WeakPolarHBondContact O-CG 3.42Å; F164-L167 PolarHBondContact O-N 3.06Å
165W87.8Confident90.2Very high224 Ų22461.3 Ų61.385%0.84835%0.345SS*.THydrogen-bonded Turntrans-71.2-18.6174.9-73.538.7000112.8T162 A163 L167T162-W165 WeakPolarHBondContact O-CB 3.42Å; T162-W165 PolarHBondContact O-N 3.08Å; A163-W165 PolarHBondContact O-N 2.96Å; W165-L167 VanDerWaalsContact C-N 3.32Å
166A87.2Confident90Very high56 Ų5657.4 Ų57.446%0.46333%0.326SS..THydrogen-bonded Turntrans-90.95.2175.400000112.9V51 A163 F164V51-A166 HydrophobicContact CB-CB 4.34Å; V51-A166 HydrophobicContact CG1-CB 4.31Å; V51-A166 HydrophobicContact CG2-CB 3.82Å; A163-A166 WeakPolarHBondContact O-CB 3.41Å; A163-A166 PolarHBondContact O-N 3.47Å; F164-A166 PolarHBondContact O-N 3.16Å
167L86.9Confident89.9Confident15 Ų1553.5 Ų53.58%0.07931%0.306CS..PPolyproline II helixtrans-63.1135.8175.3-84.8161.2000110.9F52 C140 F164 W165 F173F52-L167 HydrophobicContact CE1-CD2 4.04Å; F52-L167 HydrophobicContact CE2-CD2 3.37Å; F52-L167 HydrophobicContact CE2-CG 3.81Å; F52-L167 HydrophobicContact CZ-CD1 4.28Å; F52-L167 HydrophobicContact CZ-CD2 3.05Å; F52-L167 HydrophobicContact CZ-CG 3.54Å; C140-L167 HydrophobicContact CB-CD1 3.3Å; F164-L167 HydrophobicContact CB-CD1 3.86Å; F164-L167 HydrophobicContact CD1-CD1 4.01Å; F164-L167 HydrophobicContact CG-CD1 4.28Å; F164-L167 VanDerWaalsContact O-CB 3.24Å; F164-L167 WeakPolarHBondContact O-CB 3.45Å; F164-L167 WeakPolarHBondContact O-CD1 3.34Å; F164-L167 WeakPolarHBondContact O-CG 3.42Å; F164-L167 PolarHBondContact O-N 3.06Å; W165-L167 VanDerWaalsContact C-N 3.32Å; L167-F173 HydrophobicContact CD2-CE2 3.57Å; L167-F173 HydrophobicContact CD2-CZ 3.28Å
168P89.4Confident89.7Confident28 Ų2851.8 Ų51.818%0.18231%0.306CS..PPolyproline II helixtrans-72.2164.2172.534-36.7000110.6L48 T136 T172 F173L48-P168 HydrophobicContact CB-CG 4.49Å; L48-P168 HydrophobicContact CD2-CG 4.03Å; T136-P168 WeakPolarHBondContact CB-O 3.28Å; T136-P168 PolarHBondContact OG1-O 3.3Å; P168-T172 HydrophobicContact CB-CG2 3.69Å; P168-T172 HydrophobicContact CG-CG2 4.02Å; P168-F173 HydrophobicContact CG-CD2 3.92Å; P168-F173 HydrophobicContact CG-CE2 3.67Å; P168-F173 HydrophobicContact CG-CZ 4.43Å; P168-F173 WeakPolarHBondContact O-CD2 3.45Å; P168-F173 WeakPolarHBondContact O-CE2 3.44Å
169G91.6Very high89.5Confident42 Ų4247.5 Ų47.543%0.43329%0.289SS..PPolyproline II helixtrans-67.3168176.800000113.3A171 T172 F173G169-A171 VanDerWaalsContact C-N 3.31Å; G169-A171 PolarHBondContact O-N 3.09Å; G169-T172 PolarHBondContact O-N 2.85Å; G169-T172 VanDerWaalsContact O-N 3.15Å; G169-F173 PolarHBondContact O-N 3.17Å
170R92.8Very high89.5Confident27 Ų2747.1 Ų47.110%0.10229%0.291CS..Hα-helixtrans-53.4-42.3-177179.4-175.9173.1-935.6113.6S130 T131 T136 T172 F173 F174S130-R170 PolarHBondContact O-NE 2.65Å; S130-R170 PolarHBondContact O-NH2 2.95Å; S130-R170 VanDerWaalsContact OG-CD 3.22Å; S130-R170 WeakPolarHBondContact OG-CD 3.47Å; S130-R170 PolarHBondContact OG-NE 3.43Å; T131-R170 WeakPolarHBondContact O-CD 3.24Å; T136-R170 HydrophobicContact CG2-CB 4.04Å; R170-T172 PolarHBondContact O-N 3.33Å; R170-F173 VanDerWaalsContact O-CB 3.28Å; R170-F173 WeakPolarHBondContact O-CB 3.48Å; R170-F173 PolarHBondContact O-N 2.85Å; R170-F174 HydrophobicContact CG-CD1 4.18Å; R170-F174 HydrophobicContact CG-CE1 3.94Å; R170-F174 HydrophobicContact CG-CZ 4.31Å; R170-F174 WeakPolarHBondContact O-CD1 3.3Å; R170-F174 PolarHBondContact O-N 2.94Å; R170-F174 VanDerWaalsContact O-N 3.08Å
171A91.3Very high89.7Confident65 Ų6548.4 Ų48.454%0.53730%0.299SS..Hα-helixtrans-58.3-46.4179.700000112G169 F173 F174 D175G169-A171 VanDerWaalsContact C-N 3.31Å; G169-A171 PolarHBondContact O-N 3.09Å; A171-F173 VanDerWaalsContact C-N 3.3Å; A171-F173 PolarHBondContact O-N 2.85Å; A171-F174 WeakPolarHBondContact O-CB 3.31Å; A171-F174 PolarHBondContact O-N 3.35Å; A171-F174 VanDerWaalsContact O-N 3.1Å; A171-D175 VanDerWaalsContact O-CG 3.3Å; A171-D175 PolarHBondContact O-N 3.23Å
172T90.3Very high89.8Confident62 Ų6249.8 Ų49.838%0.3830%0.304SS..Hα-helixtrans-64.1-35.8177.6-52.80000112.4P168 G169 R170 F174 D175 V176P168-T172 HydrophobicContact CB-CG2 3.69Å; P168-T172 HydrophobicContact CG-CG2 4.02Å; G169-T172 PolarHBondContact O-N 2.85Å; G169-T172 VanDerWaalsContact O-N 3.15Å; R170-T172 PolarHBondContact O-N 3.33Å; T172-F174 VanDerWaalsContact C-N 3.3Å; T172-F174 PolarHBondContact O-N 3.25Å; T172-D175 PolarHBondContact O-N 3.03Å; T172-V176 WeakPolarHBondContact O-CB 3.45Å; T172-V176 VanDerWaalsContact O-CG2 3.29Å; T172-V176 WeakPolarHBondContact O-CG2 3.35Å; T172-V176 PolarHBondContact O-N 3.35Å
173F90.2Very high90Very high0 Ų050.4 Ų50.40%030%0.299CS..Hα-helixtrans-58.4-45.2172.5-95.6-84.8000111.8F44 L48 F123 L127 T136 L167 P168 G169 R170 A171 V176 M177F44-F173 HydrophobicContact CE1-CE1 4.39Å; F44-F173 HydrophobicContact CE2-CD1 4.34Å; F44-F173 AromaticContact CZ-CD1 3.71Å; F44-F173 HydrophobicContact CZ-CD1 3.71Å; F44-F173 AromaticContact CZ-CE1 3.87Å; F44-F173 HydrophobicContact CZ-CE1 3.87Å; L48-F173 HydrophobicContact CD1-CD1 4.14Å; L48-F173 HydrophobicContact CD1-CE1 3.27Å; L48-F173 HydrophobicContact CD1-CZ 3.56Å; L48-F173 HydrophobicContact CD2-CD1 3.68Å; L48-F173 HydrophobicContact CD2-CD2 4.29Å; L48-F173 HydrophobicContact CD2-CE1 3.57Å; L48-F173 HydrophobicContact CD2-CE2 4.2Å; L48-F173 HydrophobicContact CD2-CG 4.04Å; L48-F173 HydrophobicContact CD2-CZ 3.83Å; L48-F173 HydrophobicContact CG-CE1 4.06Å; L48-F173 HydrophobicContact CG-CZ 4.28Å; F123-F173 HydrophobicContact CE1-CD1 4.31Å; F123-F173 AromaticContact CE1-CE1 3.52Å; F123-F173 HydrophobicContact CE1-CE1 3.52Å; F123-F173 AromaticContact CE1-CZ 3.86Å; F123-F173 HydrophobicContact CE1-CZ 3.86Å; F123-F173 HydrophobicContact CZ-CD1 4.29Å; F123-F173 AromaticContact CZ-CE1 3.63Å; F123-F173 HydrophobicContact CZ-CE1 3.63Å; F123-F173 HydrophobicContact CZ-CE2 4.24Å; F123-F173 AromaticContact CZ-CZ 3.62Å; F123-F173 HydrophobicContact CZ-CZ 3.62Å; L127-F173 HydrophobicContact CD1-CD1 3.83Å; L127-F173 HydrophobicContact CD1-CE1 4.28Å; L127-F173 HydrophobicContact CD1-CG 4.32Å; L127-F173 HydrophobicContact CD2-CB 4.42Å; L127-F173 HydrophobicContact CD2-CG 4.45Å; T136-F173 HydrophobicContact CG2-CD2 3.79Å; T136-F173 HydrophobicContact CG2-CE2 4.12Å; L167-F173 HydrophobicContact CD2-CE2 3.57Å; L167-F173 HydrophobicContact CD2-CZ 3.28Å; P168-F173 HydrophobicContact CG-CD2 3.92Å; P168-F173 HydrophobicContact CG-CE2 3.67Å; P168-F173 HydrophobicContact CG-CZ 4.43Å; P168-F173 WeakPolarHBondContact O-CD2 3.45Å; P168-F173 WeakPolarHBondContact O-CE2 3.44Å; G169-F173 PolarHBondContact O-N 3.17Å; R170-F173 VanDerWaalsContact O-CB 3.28Å; R170-F173 WeakPolarHBondContact O-CB 3.48Å; R170-F173 PolarHBondContact O-N 2.85Å; A171-F173 VanDerWaalsContact C-N 3.3Å; A171-F173 PolarHBondContact O-N 2.85Å; F173-V176 PolarHBondContact O-N 3.05Å; F173-M177 WeakPolarHBondContact O-CG 3.38Å; F173-M177 PolarHBondContact O-N 2.67Å; F173-M177 VanDerWaalsContact O-N 3.1Å
174F92.4Very high90.3Very high7 Ų754.7 Ų54.73%0.03132%0.317CS..Hα-helixtrans-69.2-41.3-179-79.530.8000111.2L127 R170 A171 T172 V176 M177 N178 P182 V185 M186L127-F174 HydrophobicContact CD2-CE1 4.39Å; R170-F174 HydrophobicContact CG-CD1 4.18Å; R170-F174 HydrophobicContact CG-CE1 3.94Å; R170-F174 HydrophobicContact CG-CZ 4.31Å; R170-F174 WeakPolarHBondContact O-CD1 3.3Å; R170-F174 PolarHBondContact O-N 2.94Å; R170-F174 VanDerWaalsContact O-N 3.08Å; A171-F174 WeakPolarHBondContact O-CB 3.31Å; A171-F174 PolarHBondContact O-N 3.35Å; A171-F174 VanDerWaalsContact O-N 3.1Å; T172-F174 VanDerWaalsContact C-N 3.3Å; T172-F174 PolarHBondContact O-N 3.25Å; F174-V176 VanDerWaalsContact C-N 3.32Å; F174-V176 PolarHBondContact O-N 3.45Å; F174-M177 WeakPolarHBondContact O-CB 3.34Å; F174-M177 PolarHBondContact O-N 3.23Å; F174-M177 VanDerWaalsContact O-N 3.17Å; F174-N178 PolarHBondContact O-N 3.06Å; F174-P182 HydrophobicContact CD2-CB 3.68Å; F174-P182 HydrophobicContact CD2-CG 4.19Å; F174-P182 HydrophobicContact CE2-CB 3.77Å; F174-V185 HydrophobicContact CB-CG1 4.49Å; F174-V185 HydrophobicContact CB-CG2 4.07Å; F174-V185 HydrophobicContact CD1-CG1 3.93Å; F174-V185 HydrophobicContact CD2-CB 3.92Å; F174-V185 HydrophobicContact CD2-CG1 3.94Å; F174-V185 HydrophobicContact CD2-CG2 4.07Å; F174-V185 HydrophobicContact CE1-CG1 4.03Å; F174-V185 HydrophobicContact CE2-CB 4.1Å; F174-V185 HydrophobicContact CE2-CG1 4.01Å; F174-V185 HydrophobicContact CG-CB 4.23Å; F174-V185 HydrophobicContact CG-CG1 3.87Å; F174-V185 HydrophobicContact CG-CG2 4.15Å; F174-V185 HydrophobicContact CZ-CG1 4.05Å; F174-M186 HydrophobicContact CE2-CG 4.26Å; F174-M186 HydrophobicContact CZ-CG 4.27Å
175D90.9Very high90.4Very high118 Ų11854.4 Ų54.463%0.63132%0.316SS*.Hα-helixtrans-59.5-43.6174.6-67.7-25.2000111.5A171 T172 M177 N178A171-D175 VanDerWaalsContact O-CG 3.3Å; A171-D175 PolarHBondContact O-N 3.23Å; T172-D175 PolarHBondContact O-N 3.03Å; D175-M177 VanDerWaalsContact C-N 3.3Å; D175-M177 PolarHBondContact O-N 2.99Å; D175-N178 PolarHBondContact O-N 3.02Å; D175-N178 VanDerWaalsContact O-N 3.1Å
176V89.3Confident90.6Very high26 Ų2646.5 Ų46.516%0.15829%0.289CS..Hα-helixtrans-65.8-33178165.50000111.8F10 F44 C47 L48 T172 F173 F174 N178F10-V176 WeakPolarHBondContact CD1-O 3.46Å; F44-V176 HydrophobicContact CD2-CG1 3.83Å; F44-V176 HydrophobicContact CE2-CG1 4.02Å; C47-V176 HydrophobicContact CB-CB 4.47Å; C47-V176 HydrophobicContact CB-CG1 3.38Å; C47-V176 HydrophobicContact CB-CG2 4.29Å; L48-V176 HydrophobicContact CD2-CB 4.2Å; L48-V176 HydrophobicContact CD2-CG1 4.13Å; L48-V176 HydrophobicContact CD2-CG2 4.19Å; L48-V176 HydrophobicContact CG-CG1 4.48Å; T172-V176 WeakPolarHBondContact O-CB 3.45Å; T172-V176 VanDerWaalsContact O-CG2 3.29Å; T172-V176 WeakPolarHBondContact O-CG2 3.35Å; T172-V176 PolarHBondContact O-N 3.35Å; F173-V176 PolarHBondContact O-N 3.05Å; F174-V176 VanDerWaalsContact C-N 3.32Å; F174-V176 PolarHBondContact O-N 3.45Å; V176-N178 PolarHBondContact O-N 3.22Å
177M89.1Confident90.8Very high0 Ų046.4 Ų46.40%029%0.288CS..Hα-helixtrans-63.2-23.2174.7-70.8174.7-17500112.4T11 L12 F44 L124 L127 F173 F174 D175 V179 V185 L189T11-M177 WeakPolarHBondContact CA-O 3.45Å; L12-M177 HydrophobicContact CB-CB 4.04Å; L12-M177 HydrophobicContact CB-CG 4.28Å; L12-M177 HydrophobicContact CD2-CB 4.41Å; L12-M177 HydrophobicContact CD2-CG 4.1Å; L12-M177 HydrophobicContact CD2-SD 3.79Å; L12-M177 PolarHBondContact N-O 3.09Å; F44-M177 HydrophobicContact CD2-CG 4.35Å; F44-M177 HydrophobicContact CE2-CE 3.95Å; F44-M177 HydrophobicContact CE2-CG 3.71Å; F44-M177 HydrophobicContact CZ-CE 3.71Å; F44-M177 HydrophobicContact CZ-CG 4.44Å; L124-M177 HydrophobicContact CD2-CE 3.75Å; L127-M177 HydrophobicContact CD1-CE 4.07Å; F173-M177 WeakPolarHBondContact O-CG 3.38Å; F173-M177 PolarHBondContact O-N 2.67Å; F173-M177 VanDerWaalsContact O-N 3.1Å; F174-M177 WeakPolarHBondContact O-CB 3.34Å; F174-M177 PolarHBondContact O-N 3.23Å; F174-M177 VanDerWaalsContact O-N 3.17Å; D175-M177 VanDerWaalsContact C-N 3.3Å; D175-M177 PolarHBondContact O-N 2.99Å; M177-V179 VanDerWaalsContact C-N 3.32Å; M177-V179 HydrophobicContact CB-CG2 4.29Å; M177-V179 WeakPolarHBondContact O-CG1 3.41Å; M177-V179 PolarHBondContact O-N 3.31Å; M177-V185 HydrophobicContact CB-CG1 4.48Å; M177-V185 HydrophobicContact SD-CG1 3.31Å; M177-V185 WeakPolarHBondContact SD-CG1 3.49Å; M177-L189 HydrophobicContact CE-CD1 4.3Å; M177-L189 HydrophobicContact CE-CD2 4.29Å; M177-L189 HydrophobicContact SD-CD1 4.19Å; M177-L189 HydrophobicContact SD-CD2 4.47Å; M177-L189 HydrophobicContact SD-CG 4.45Å
178N89.1Confident91.1Very high75 Ų7546.5 Ų46.540%0.40129%0.289SS..  trans51.649169-172.540.6000112.7F10 T11 F174 D175 V176F10-N178 VanDerWaalsContact O-CB 3.23Å; F10-N178 WeakPolarHBondContact O-CB 3.46Å; F10-N178 PolarHBondContact O-ND2 3.15Å; T11-N178 PolarHBondContact OG1-O 3.42Å; F174-N178 PolarHBondContact O-N 3.06Å; D175-N178 PolarHBondContact O-N 3.02Å; D175-N178 VanDerWaalsContact O-N 3.1Å; V176-N178 PolarHBondContact O-N 3.22Å
179V88.2Confident91.3Very high27 Ų2745.1 Ų45.116%0.16428%0.28CS..SBendtrans-121.86.8177-67.40000112.8T11 L12 Q13 M177 Q184 V185 V188T11-V179 WeakPolarHBondContact OG1-CG1 3.35Å; L12-V179 HydrophobicContact CB-CG1 4.08Å; Q13-V179 HydrophobicContact CB-CG1 4.46Å; M177-V179 VanDerWaalsContact C-N 3.32Å; M177-V179 HydrophobicContact CB-CG2 4.29Å; M177-V179 WeakPolarHBondContact O-CG1 3.41Å; M177-V179 PolarHBondContact O-N 3.31Å; V179-Q184 WeakPolarHBondContact O-CB 3.31Å; V179-V185 HydrophobicContact CG2-CB 3.94Å; V179-V185 HydrophobicContact CG2-CG2 3.36Å; V179-V188 HydrophobicContact CB-CG2 4.29Å; V179-V188 HydrophobicContact CG1-CG1 4.46Å; V179-V188 HydrophobicContact CG1-CG2 4.29Å; V179-V188 HydrophobicContact CG2-CG2 4.47Å
180G90.3Very high91.4Very high52 Ų5244.2 Ų44.254%0.53627%0.271SS..SBendtrans105.9-135.6175.600000113.1
181S92.9Very high91.3Very high42 Ų4247.9 Ų47.929%0.29429%0.293SS..SBendtrans-66.8161-175.885.10000112.3E183 Q184 V185S181-E183 VanDerWaalsContact CB-OE2 3.24Å; S181-E183 WeakPolarHBondContact CB-OE2 3.35Å; S181-E183 PolarHBondContact O-N 3.37Å; S181-E183 VanDerWaalsContact O-N 3.16Å; S181-E183 PolarHBondContact OG-N 3.17Å; S181-E183 PolarHBondContact OG-OE2 2.96Å; S181-Q184 WeakPolarHBondContact O-CB 3.27Å; S181-Q184 PolarHBondContact O-N 3.25Å; S181-Q184 PolarHBondContact OG-N 2.88Å; S181-V185 WeakPolarHBondContact O-CG2 3.22Å; S181-V185 PolarHBondContact O-N 3.25Å
182P91.2Very high91.3Very high53 Ų5344.9 Ų44.934%0.34427%0.268SS..Hα-helixtrans-52.7-35.4174.7-29.137.4000114.5F174 V185 M186F174-P182 HydrophobicContact CD2-CB 3.68Å; F174-P182 HydrophobicContact CD2-CG 4.19Å; F174-P182 HydrophobicContact CE2-CB 3.77Å; P182-V185 WeakPolarHBondContact O-CB 3.45Å; P182-V185 PolarHBondContact O-N 3.45Å; P182-M186 VanDerWaalsContact O-CG 3.3Å; P182-M186 WeakPolarHBondContact O-CG 3.42Å; P182-M186 PolarHBondContact O-N 3.09Å
183E92.4Very high91.4Very high119 Ų11942.6 Ų42.656%0.55625%0.253SS*.Hα-helixtrans-66.7-40176.9-5869.9-14800111.4S181 M186 A187S181-E183 VanDerWaalsContact CB-OE2 3.24Å; S181-E183 WeakPolarHBondContact CB-OE2 3.35Å; S181-E183 PolarHBondContact O-N 3.37Å; S181-E183 VanDerWaalsContact O-N 3.16Å; S181-E183 PolarHBondContact OG-N 3.17Å; S181-E183 PolarHBondContact OG-OE2 2.96Å; E183-M186 HydrophobicContact CB-CE 4.5Å; E183-M186 HydrophobicContact CG-CE 4.36Å; E183-M186 PolarHBondContact O-N 2.62Å; E183-A187 WeakPolarHBondContact O-CB 3.34Å; E183-A187 PolarHBondContact O-N 3.34Å
184Q92.9Very high91.6Very high105 Ų10546.2 Ų46.249%0.49128%0.277SS..Hα-helixtrans-67.5-40175.6-63.2176.9-66.500111V179 S181 A187 V188V179-Q184 WeakPolarHBondContact O-CB 3.31Å; S181-Q184 WeakPolarHBondContact O-CB 3.27Å; S181-Q184 PolarHBondContact O-N 3.25Å; S181-Q184 PolarHBondContact OG-N 2.88Å; Q184-A187 PolarHBondContact O-N 2.94Å; Q184-V188 WeakPolarHBondContact O-CG2 3.43Å; Q184-V188 PolarHBondContact O-N 3.02Å
185V91.9Very high91.6Very high0 Ų047.9 Ų47.90%029%0.286CS..Hα-helixtrans-57.5-50.6172.4175.50000111F174 M177 V179 S181 P182 A187 V188 L189F174-V185 HydrophobicContact CB-CG1 4.49Å; F174-V185 HydrophobicContact CB-CG2 4.07Å; F174-V185 HydrophobicContact CD1-CG1 3.93Å; F174-V185 HydrophobicContact CD2-CB 3.92Å; F174-V185 HydrophobicContact CD2-CG1 3.94Å; F174-V185 HydrophobicContact CD2-CG2 4.07Å; F174-V185 HydrophobicContact CE1-CG1 4.03Å; F174-V185 HydrophobicContact CE2-CB 4.1Å; F174-V185 HydrophobicContact CE2-CG1 4.01Å; F174-V185 HydrophobicContact CG-CB 4.23Å; F174-V185 HydrophobicContact CG-CG1 3.87Å; F174-V185 HydrophobicContact CG-CG2 4.15Å; F174-V185 HydrophobicContact CZ-CG1 4.05Å; M177-V185 HydrophobicContact CB-CG1 4.48Å; M177-V185 HydrophobicContact SD-CG1 3.31Å; M177-V185 WeakPolarHBondContact SD-CG1 3.49Å; V179-V185 HydrophobicContact CG2-CB 3.94Å; V179-V185 HydrophobicContact CG2-CG2 3.36Å; S181-V185 WeakPolarHBondContact O-CG2 3.22Å; S181-V185 PolarHBondContact O-N 3.25Å; P182-V185 WeakPolarHBondContact O-CB 3.45Å; P182-V185 PolarHBondContact O-N 3.45Å; V185-A187 VanDerWaalsContact C-N 3.31Å; V185-A187 PolarHBondContact O-N 3.43Å; V185-V188 PolarHBondContact O-N 3.3Å; V185-L189 HydrophobicContact CG1-CD1 3.9Å; V185-L189 HydrophobicContact CG1-CG 4.44Å; V185-L189 WeakPolarHBondContact O-CB 3.34Å; V185-L189 WeakPolarHBondContact O-CG 3.45Å; V185-L189 PolarHBondContact O-N 3.27Å
186M92.3Very high91.7Very high57 Ų5742.3 Ų42.328%0.28126%0.256SS..Hα-helixtrans-63-37179.7-70.7-176-60.400112.5Q128 F174 P182 E183 G190Q128-M186 PolarHBondContact NE2-O 3.27Å; F174-M186 HydrophobicContact CE2-CG 4.26Å; F174-M186 HydrophobicContact CZ-CG 4.27Å; P182-M186 VanDerWaalsContact O-CG 3.3Å; P182-M186 WeakPolarHBondContact O-CG 3.42Å; P182-M186 PolarHBondContact O-N 3.09Å; E183-M186 HydrophobicContact CB-CE 4.5Å; E183-M186 HydrophobicContact CG-CE 4.36Å; E183-M186 PolarHBondContact O-N 2.62Å; M186-G190 PolarHBondContact O-N 3.38Å
187A92.6Very high92Very high55 Ų5543.2 Ų43.246%0.45526%0.263SS..Hα-helixtrans-64.9-49.5175.200000111.6E183 Q184 V185 L189 G190 D191E183-A187 WeakPolarHBondContact O-CB 3.34Å; E183-A187 PolarHBondContact O-N 3.34Å; Q184-A187 PolarHBondContact O-N 2.94Å; V185-A187 VanDerWaalsContact C-N 3.31Å; V185-A187 PolarHBondContact O-N 3.43Å; A187-L189 VanDerWaalsContact C-N 3.32Å; A187-L189 PolarHBondContact O-N 3.25Å; A187-G190 WeakPolarHBondContact O-CA 3.46Å; A187-G190 PolarHBondContact O-N 3.1Å; A187-D191 PolarHBondContact O-N 3.43Å
188V92.2Very high92.3Very high16 Ų1646.7 Ų46.710%0.09728%0.279CS..Hα-helixtrans-60.8-42177.2172.70000110.9L12 L16 V179 Q184 V185 G190 D191 T192L12-V188 HydrophobicContact CB-CG1 4.39Å; L12-V188 HydrophobicContact CD2-CG1 3.9Å; L12-V188 HydrophobicContact CG-CG1 4.02Å; L16-V188 HydrophobicContact CD2-CG1 4.12Å; V179-V188 HydrophobicContact CB-CG2 4.29Å; V179-V188 HydrophobicContact CG1-CG1 4.46Å; V179-V188 HydrophobicContact CG1-CG2 4.29Å; V179-V188 HydrophobicContact CG2-CG2 4.47Å; Q184-V188 WeakPolarHBondContact O-CG2 3.43Å; Q184-V188 PolarHBondContact O-N 3.02Å; V185-V188 PolarHBondContact O-N 3.3Å; V188-G190 VanDerWaalsContact C-N 3.29Å; V188-G190 PolarHBondContact O-N 2.93Å; V188-D191 PolarHBondContact O-N 3.07Å; V188-T192 VanDerWaalsContact O-CB 3.31Å; V188-T192 WeakPolarHBondContact O-CB 3.36Å; V188-T192 PolarHBondContact O-N 2.92Å; V188-T192 PolarHBondContact O-OG1 3.27Å
189L92.7Very high92.6Very high0 Ų043.1 Ų43.10%026%0.261CS..Hα-helixtrans-60.3-40.2173.3-75.2170.1000111.7L12 L124 Q128 M177 V185 A187 D191 T192 L193L12-L189 HydrophobicContact CD2-CD2 3.61Å; L12-L189 HydrophobicContact CD2-CG 3.89Å; L124-L189 HydrophobicContact CB-CD2 4.14Å; L124-L189 HydrophobicContact CD2-CD2 4.04Å; L124-L189 HydrophobicContact CG-CD2 4.48Å; Q128-L189 HydrophobicContact CB-CB 4.02Å; Q128-L189 HydrophobicContact CB-CD1 4.04Å; Q128-L189 HydrophobicContact CG-CB 3.82Å; Q128-L189 HydrophobicContact CG-CD1 4.48Å; M177-L189 HydrophobicContact CE-CD1 4.3Å; M177-L189 HydrophobicContact CE-CD2 4.29Å; M177-L189 HydrophobicContact SD-CD1 4.19Å; M177-L189 HydrophobicContact SD-CD2 4.47Å; M177-L189 HydrophobicContact SD-CG 4.45Å; V185-L189 HydrophobicContact CG1-CD1 3.9Å; V185-L189 HydrophobicContact CG1-CG 4.44Å; V185-L189 WeakPolarHBondContact O-CB 3.34Å; V185-L189 WeakPolarHBondContact O-CG 3.45Å; V185-L189 PolarHBondContact O-N 3.27Å; A187-L189 VanDerWaalsContact C-N 3.32Å; A187-L189 PolarHBondContact O-N 3.25Å; L189-D191 VanDerWaalsContact C-N 3.3Å; L189-D191 PolarHBondContact O-N 2.87Å; L189-T192 PolarHBondContact O-N 2.62Å; L189-L193 HydrophobicContact CB-CD1 4.35Å; L189-L193 WeakPolarHBondContact O-CB 3.45Å; L189-L193 WeakPolarHBondContact O-CD1 3.44Å; L189-L193 VanDerWaalsContact O-CG 3.28Å; L189-L193 WeakPolarHBondContact O-CG 3.33Å; L189-L193 PolarHBondContact O-N 3.24Å
190G93.7Very high93Very high23 Ų2343.2 Ų43.224%0.23726%0.258CS..Hα-helixtrans-65-30.4177.200000114.6Q128 M186 A187 V188 P194Q128-G190 VanDerWaalsContact NE2-N 3.17Å; M186-G190 PolarHBondContact O-N 3.38Å; A187-G190 WeakPolarHBondContact O-CA 3.46Å; A187-G190 PolarHBondContact O-N 3.1Å; V188-G190 VanDerWaalsContact C-N 3.29Å; V188-G190 PolarHBondContact O-N 2.93Å; G190-P194 WeakPolarHBondContact O-CD 3.4Å; G190-P194 VanDerWaalsContact O-CG 3.26Å; G190-P194 WeakPolarHBondContact O-CG 3.24Å
191D92.1Very high93.4Very high104 Ų10445.1 Ų45.156%0.55625%0.253SS*.Hα-helixtrans-82.1-31.1173.2-66.6-19.6000112L16 A187 V188 L189L16-D191 HydrophobicContact CD1-CB 4.34Å; L16-D191 HydrophobicContact CD2-CB 4.06Å; A187-D191 PolarHBondContact O-N 3.43Å; V188-D191 PolarHBondContact O-N 3.07Å; L189-D191 VanDerWaalsContact C-N 3.3Å; L189-D191 PolarHBondContact O-N 2.87Å
192T90.9Very high93.6Very high2 Ų244.2 Ų44.21%0.01225%0.246CC..Hα-helixtrans-81.6-44.3-174.9-51.70000113.1L16 V188 L189 L195 I196L16-T192 HydrophobicContact CB-CG2 4.36Å; L16-T192 WeakPolarHBondContact CB-OG1 3.45Å; L16-T192 HydrophobicContact CD1-CG2 4.4Å; L16-T192 WeakPolarHBondContact CD1-OG1 3.24Å; V188-T192 VanDerWaalsContact O-CB 3.31Å; V188-T192 WeakPolarHBondContact O-CB 3.36Å; V188-T192 PolarHBondContact O-N 2.92Å; V188-T192 PolarHBondContact O-OG1 3.27Å; L189-T192 PolarHBondContact O-N 2.62Å; T192-L195 WeakPolarHBondContact O-CB 3.44Å; T192-L195 PolarHBondContact O-N 3.42Å; T192-L195 VanDerWaalsContact O-N 3.15Å; T192-I196 HydrophobicContact CG2-CD1 3.8Å; T192-I196 HydrophobicContact CG2-CG1 4.21Å; T192-I196 PolarHBondContact O-N 3.35Å
193L93.2Very high94Very high13 Ų1341.7 Ų41.77%0.06823%0.23CC..Hα-helixtrans-59.6-43.7-174.3-76.3165.2000113.2E121 L124 E125 Q128 L189 L195 I196 S197E121-L193 HydrophobicContact CG-CD2 4.17Å; L124-L193 HydrophobicContact CB-CD2 3.76Å; E125-L193 HydrophobicContact CB-CD1 4.09Å; E125-L193 HydrophobicContact CB-CD2 4.4Å; Q128-L193 HydrophobicContact CB-CD1 4.1Å; L189-L193 HydrophobicContact CB-CD1 4.35Å; L189-L193 WeakPolarHBondContact O-CB 3.45Å; L189-L193 WeakPolarHBondContact O-CD1 3.44Å; L189-L193 VanDerWaalsContact O-CG 3.28Å; L189-L193 WeakPolarHBondContact O-CG 3.33Å; L189-L193 PolarHBondContact O-N 3.24Å; L193-L195 VanDerWaalsContact C-N 3.26Å; L193-L195 PolarHBondContact O-N 3.41Å; L193-I196 PolarHBondContact O-N 3.02Å; L193-S197 WeakPolarHBondContact O-CB 3.42Å; L193-S197 PolarHBondContact O-N 3.29Å
194P93.8Very high94.2Very high77 Ų7738.3 Ų38.350%0.521%0.214SC..Hα-helixtrans-58.8-36.8176.2-26.136.1000113.3G190 S197 E198G190-P194 WeakPolarHBondContact O-CD 3.4Å; G190-P194 VanDerWaalsContact O-CG 3.26Å; G190-P194 WeakPolarHBondContact O-CG 3.24Å; P194-S197 PolarHBondContact O-N 3.09Å; P194-E198 WeakPolarHBondContact O-CB 3.31Å; P194-E198 PolarHBondContact O-N 3.44Å
195L92.6Very high94.5Very high42 Ų4236.5 Ų36.522%0.2221%0.207CC..Hα-helixtrans-70.5-42.3178.3-62169.2000111.8L16 F19 K20 T192 L193 S197 E198 V199L16-L195 HydrophobicContact CD1-CD1 3.51Å; F19-L195 HydrophobicContact CB-CB 4.37Å; K20-L195 HydrophobicContact CB-CD1 4.46Å; K20-L195 HydrophobicContact CD-CD1 4.48Å; K20-L195 HydrophobicContact CG-CD1 3.42Å; K20-L195 VanDerWaalsContact CG-CD1 3.42Å; T192-L195 WeakPolarHBondContact O-CB 3.44Å; T192-L195 PolarHBondContact O-N 3.42Å; T192-L195 VanDerWaalsContact O-N 3.15Å; L193-L195 VanDerWaalsContact C-N 3.26Å; L193-L195 PolarHBondContact O-N 3.41Å; L195-S197 VanDerWaalsContact C-N 3.31Å; L195-E198 PolarHBondContact O-N 2.96Å; L195-V199 WeakPolarHBondContact O-CG2 3.49Å; L195-V199 PolarHBondContact O-N 3.34Å
196I93.4Very high94.8Very high1 Ų137.5 Ų37.51%0.00521%0.213CC..Hα-helixtrans-60.5-45.7173.3-67.5175.6000109.8F19 L117 E121 T192 L193 E198 V199 Y200F19-I196 HydrophobicContact CD1-CG1 3.98Å; F19-I196 HydrophobicContact CD2-CG1 4.09Å; F19-I196 HydrophobicContact CE1-CG1 4.08Å; F19-I196 HydrophobicContact CE2-CD1 4.42Å; F19-I196 HydrophobicContact CE2-CG1 4.19Å; F19-I196 HydrophobicContact CG-CG1 4Å; F19-I196 HydrophobicContact CZ-CG1 4.18Å; L117-I196 HydrophobicContact CD1-CG2 3.9Å; L117-I196 HydrophobicContact CD2-CG2 4.24Å; L117-I196 HydrophobicContact CG-CG2 3.9Å; E121-I196 HydrophobicContact CB-CG2 3.97Å; E121-I196 HydrophobicContact CG-CG2 4.05Å; T192-I196 HydrophobicContact CG2-CD1 3.8Å; T192-I196 HydrophobicContact CG2-CG1 4.21Å; T192-I196 PolarHBondContact O-N 3.35Å; L193-I196 PolarHBondContact O-N 3.02Å; I196-E198 VanDerWaalsContact C-N 3.31Å; I196-E198 PolarHBondContact O-N 3.14Å; I196-V199 PolarHBondContact O-N 3.24Å; I196-Y200 VanDerWaalsContact O-CB 3.27Å; I196-Y200 WeakPolarHBondContact O-CB 3.49Å; I196-Y200 PolarHBondContact O-N 3.48Å
197S95.1Very high95.1Very high45 Ų4534.8 Ų34.832%0.31520%0.199SC..Hα-helixtrans-60.8-41.3179.7-152.10000111.9E121 L193 P194 L195 Y200 Q201E121-S197 VanDerWaalsContact OE1-CA 3.3Å; E121-S197 WeakPolarHBondContact OE1-CA 3.49Å; E121-S197 WeakPolarHBondContact OE1-CB 3.11Å; E121-S197 PolarHBondContact OE1-OG 3.3Å; L193-S197 WeakPolarHBondContact O-CB 3.42Å; L193-S197 PolarHBondContact O-N 3.29Å; P194-S197 PolarHBondContact O-N 3.09Å; L195-S197 VanDerWaalsContact C-N 3.31Å; S197-Y200 WeakPolarHBondContact O-CB 3.22Å; S197-Y200 PolarHBondContact O-N 3.3Å; S197-Q201 WeakPolarHBondContact O-CB 3.34Å; S197-Q201 PolarHBondContact O-N 3.47Å
198E95Very high95.4Very high72 Ų7234.1 Ų34.134%0.33619%0.194SC..Hα-helixtrans-67.7-46.3177.9-172.4170.6-148.600112.5L23 K27 P194 L195 I196 Y200 Q201 V202L23-E198 HydrophobicContact CD2-CG 3.62Å; L23-E198 WeakPolarHBondContact CD2-OE2 3.21Å; K27-E198 IonicContact NZ-OE1 3.86Å; K27-E198 PolarHBondContact NZ-OE1 3.21Å; P194-E198 WeakPolarHBondContact O-CB 3.31Å; P194-E198 PolarHBondContact O-N 3.44Å; L195-E198 PolarHBondContact O-N 2.96Å; I196-E198 VanDerWaalsContact C-N 3.31Å; I196-E198 PolarHBondContact O-N 3.14Å; E198-Y200 VanDerWaalsContact C-N 3.28Å; E198-Y200 PolarHBondContact O-N 3.24Å; E198-Q201 PolarHBondContact O-N 2.73Å; E198-V202 WeakPolarHBondContact O-CG2 3.2Å; E198-V202 PolarHBondContact O-N 2.94Å
199V95.8Very high95.7Very high1 Ų140.2 Ų40.21%0.00622%0.221CC..Hα-helixtrans-60.9-40.7174.6169.90000110.9F19 C22 V29 Y34 L195 I196 T203F19-V199 HydrophobicContact CD1-CB 4.48Å; F19-V199 HydrophobicContact CD1-CG2 4.28Å; F19-V199 HydrophobicContact CE1-CG1 4.42Å; C22-V199 HydrophobicContact CB-CG2 3.77Å; V29-V199 HydrophobicContact CG1-CG1 3.94Å; V29-V199 HydrophobicContact CG2-CG1 4.42Å; Y34-V199 HydrophobicContact CD2-CG1 3.87Å; Y34-V199 HydrophobicContact CE2-CG1 4.03Å; L195-V199 WeakPolarHBondContact O-CG2 3.49Å; L195-V199 PolarHBondContact O-N 3.34Å; I196-V199 PolarHBondContact O-N 3.24Å; V199-T203 WeakPolarHBondContact O-CB 3.45Å; V199-T203 PolarHBondContact O-N 3.46Å; V199-T203 VanDerWaalsContact O-N 3.13Å; V199-T203 PolarHBondContact O-OG1 3.02Å
200Y97.1Very high96Very high28 Ų2843.3 Ų43.311%0.1124%0.238CC..Hα-helixtrans-59.7-53.4174.2178-91000110.5H114 R118 I196 S197 E198 V202 T203 E204H114-Y200 AromaticContact CE1-CD2 3.1Å; H114-Y200 WeakPolarHBondContact CE1-CD2 3.41Å; H114-Y200 AromaticContact CE1-CE2 3.12Å; H114-Y200 WeakPolarHBondContact CE1-CE2 3.31Å; H114-Y200 AromaticContact CE1-CG 3.75Å; H114-Y200 AromaticContact CE1-CZ 3.82Å; H114-Y200 PolarHBondContact CE1-O 3.43Å; H114-Y200 VanDerWaalsContact CE1-O 3.26Å; H114-Y200 AromaticContact ND1-CD2 3.55Å; H114-Y200 AromaticContact ND1-CE2 3.74Å; H114-Y200 AromaticContact NE2-CD2 3.82Å; H114-Y200 AromaticContact NE2-CE2 3.32Å; H114-Y200 VanDerWaalsContact NE2-CE2 3.32Å; H114-Y200 WeakPolarHBondContact NE2-CE2 3.46Å; H114-Y200 AromaticContact NE2-CZ 3.74Å; R118-Y200 HydrophobicContact CB-CD2 4.17Å; R118-Y200 HydrophobicContact CB-CE2 3.49Å; R118-Y200 VanDerWaalsContact CB-CE2 3.49Å; R118-Y200 HydrophobicContact CG-CE2 4.08Å; I196-Y200 VanDerWaalsContact O-CB 3.27Å; I196-Y200 WeakPolarHBondContact O-CB 3.49Å; I196-Y200 PolarHBondContact O-N 3.48Å; S197-Y200 WeakPolarHBondContact O-CB 3.22Å; S197-Y200 PolarHBondContact O-N 3.3Å; E198-Y200 VanDerWaalsContact C-N 3.28Å; E198-Y200 PolarHBondContact O-N 3.24Å; Y200-V202 PolarHBondContact O-N 2.96Å; Y200-T203 PolarHBondContact O-N 3.06Å; Y200-T203 VanDerWaalsContact O-N 3.13Å; Y200-E204 HydrophobicContact CE1-CB 4.18Å; Y200-E204 HydrophobicContact CE1-CG 4.34Å; Y200-E204 WeakPolarHBondContact O-CB 3.4Å; Y200-E204 PolarHBondContact O-N 3.03Å
201Q97.7Very high96.2Very high92 Ų9249.2 Ų49.243%0.4326%0.264SS..Hα-helixtrans-62.4-43.5-175.7-17061.551.200112.3S197 E198 T203 E204 D205S197-Q201 WeakPolarHBondContact O-CB 3.34Å; S197-Q201 PolarHBondContact O-N 3.47Å; E198-Q201 PolarHBondContact O-N 2.73Å; Q201-T203 VanDerWaalsContact C-N 3.28Å; Q201-T203 PolarHBondContact O-N 3.31Å; Q201-E204 PolarHBondContact O-N 3.34Å; Q201-D205 PolarHBondContact NE2-OD1 3.34Å; Q201-D205 WeakPolarHBondContact O-CB 3.43Å; Q201-D205 VanDerWaalsContact O-CG 3.23Å; Q201-D205 PolarHBondContact O-N 3.24Å
202V97.8Very high96.5Very high24 Ų2444.4 Ų44.415%0.14524%0.238CC..Hα-helixtrans-60.2-40.5176.4169.80000111.4L23 K27 V29 E198 Y200 L206L23-V202 HydrophobicContact CD1-CG1 4.43Å; L23-V202 HydrophobicContact CD1-CG2 4.18Å; K27-V202 HydrophobicContact CB-CG2 4.26Å; K27-V202 HydrophobicContact CD-CG2 4.44Å; K27-V202 VanDerWaalsContact O-CG1 3.23Å; K27-V202 WeakPolarHBondContact O-CG1 3.28Å; V29-V202 HydrophobicContact CG2-CB 4.24Å; V29-V202 HydrophobicContact CG2-CG1 3.71Å; E198-V202 WeakPolarHBondContact O-CG2 3.2Å; E198-V202 PolarHBondContact O-N 2.94Å; Y200-V202 PolarHBondContact O-N 2.96Å; V202-L206 WeakPolarHBondContact O-CB 3.23Å; V202-L206 PolarHBondContact O-N 2.73Å; V202-L206 VanDerWaalsContact O-N 3.13Å
203T98.1Very high96.8Very high0 Ų046.3 Ų46.30%025%0.248CC..Hα-helixtrans-70.9-43.5178-55.60000111.4I81 L110 H114 V199 Y200 Q201 L206 Y207I81-T203 HydrophobicContact CD1-CG2 4.23Å; I81-T203 HydrophobicContact CG2-CG2 4.48Å; L110-T203 HydrophobicContact CD2-CG2 3.74Å; H114-T203 HydrophobicContact CB-CG2 4.48Å; V199-T203 WeakPolarHBondContact O-CB 3.45Å; V199-T203 PolarHBondContact O-N 3.46Å; V199-T203 VanDerWaalsContact O-N 3.13Å; V199-T203 PolarHBondContact O-OG1 3.02Å; Y200-T203 PolarHBondContact O-N 3.06Å; Y200-T203 VanDerWaalsContact O-N 3.13Å; Q201-T203 VanDerWaalsContact C-N 3.28Å; Q201-T203 PolarHBondContact O-N 3.31Å; T203-L206 PolarHBondContact O-N 3.03Å; T203-Y207 HydrophobicContact CG2-CD2 3.97Å; T203-Y207 HydrophobicContact CG2-CE2 3.96Å; T203-Y207 VanDerWaalsContact O-CD2 3.24Å; T203-Y207 WeakPolarHBondContact O-CD2 3.18Å; T203-Y207 PolarHBondContact O-N 3.49Å
204E98.4Very high97Very high47 Ų4752.4 Ų52.422%0.2228%0.276CS..Hα-helixtrans-58.9-48.6177-175.172.1177.300110.7H114 Y200 Q201 L206 Y207 A208 L213H114-E204 IonicContact CD2-OE2 3.83Å; H114-E204 PolarHBondContact CD2-OE2 2.85Å; H114-E204 IonicContact CE1-OE2 2.55Å; H114-E204 IonicContact NE2-OE2 3.45Å; H114-E204 PolarHBondContact NE2-OE2 2.83Å; Y200-E204 HydrophobicContact CE1-CB 4.18Å; Y200-E204 HydrophobicContact CE1-CG 4.34Å; Y200-E204 WeakPolarHBondContact O-CB 3.4Å; Y200-E204 PolarHBondContact O-N 3.03Å; Q201-E204 PolarHBondContact O-N 3.34Å; E204-L206 PolarHBondContact O-N 3.05Å; E204-Y207 PolarHBondContact O-N 3.09Å; E204-A208 WeakPolarHBondContact O-CB 3.41Å; E204-A208 PolarHBondContact O-N 3.46Å; E204-L213 WeakPolarHBondContact OE2-CD2 3.4Å
205D98.5Very high97.1Very high68 Ų6849 Ų4936%0.36425%0.254SS..Hα-helixtrans-61.9-44.1179-71.6-17000111.5Q201 Y207 A208 Q209Q201-D205 PolarHBondContact NE2-OD1 3.34Å; Q201-D205 WeakPolarHBondContact O-CB 3.43Å; Q201-D205 VanDerWaalsContact O-CG 3.23Å; Q201-D205 PolarHBondContact O-N 3.24Å; D205-Y207 VanDerWaalsContact C-N 3.35Å; D205-Y207 PolarHBondContact O-N 3.2Å; D205-A208 PolarHBondContact O-N 2.88Å; D205-Q209 WeakPolarHBondContact O-CB 3.46Å; D205-Q209 WeakPolarHBondContact O-CG 3.47Å; D205-Q209 PolarHBondContact O-N 3.5Å
206L98.6Very high97Very high21 Ų2149.2 Ų49.211%0.1126%0.257CS..Hα-helixtrans-59.3-46175.9176.268.3000111.4I81 Q82 V85 V202 T203 E204 N210I81-L206 HydrophobicContact CB-CD2 4.34Å; I81-L206 HydrophobicContact CG2-CD2 3.68Å; Q82-L206 HydrophobicContact CB-CD2 4.46Å; Q82-L206 HydrophobicContact CG-CD1 4.26Å; Q82-L206 HydrophobicContact CG-CD2 4Å; V85-L206 HydrophobicContact CB-CD2 4.34Å; V85-L206 HydrophobicContact CG2-CD2 3.92Å; V85-L206 HydrophobicContact CG2-CG 4.38Å; V202-L206 WeakPolarHBondContact O-CB 3.23Å; V202-L206 PolarHBondContact O-N 2.73Å; V202-L206 VanDerWaalsContact O-N 3.13Å; T203-L206 PolarHBondContact O-N 3.03Å; E204-L206 PolarHBondContact O-N 3.05Å; L206-N210 PolarHBondContact O-N 3.06Å; L206-N210 PolarHBondContact O-ND2 3.24Å
207Y98.7Very high97.2Very high0 Ų051.6 Ų51.60%027%0.27CS..Hα-helixtrans-68.1-38.1179.5-88.5-113.5000112.1I81 V85 C107 L110 L111 T203 E204 D205 N210 N211 I212I81-Y207 HydrophobicContact CG2-CE2 4.11Å; V85-Y207 HydrophobicContact CG2-CE2 4.08Å; C107-Y207 WeakPolarHBondContact CA-OH 3.42Å; C107-Y207 WeakPolarHBondContact O-CE1 3.24Å; C107-Y207 PolarHBondContact O-OH 2.99Å; L110-Y207 WeakPolarHBondContact CB-OH 3.36Å; L110-Y207 HydrophobicContact CD2-CE2 3.75Å; L110-Y207 VanDerWaalsContact CD2-OH 3.29Å; L110-Y207 WeakPolarHBondContact CD2-OH 3.03Å; L111-Y207 HydrophobicContact CB-CD1 4.43Å; L111-Y207 HydrophobicContact CB-CE1 3.78Å; L111-Y207 HydrophobicContact CD1-CD1 3.79Å; L111-Y207 HydrophobicContact CD1-CE1 4Å; L111-Y207 HydrophobicContact CG-CE1 4.34Å; T203-Y207 HydrophobicContact CG2-CD2 3.97Å; T203-Y207 HydrophobicContact CG2-CE2 3.96Å; T203-Y207 VanDerWaalsContact O-CD2 3.24Å; T203-Y207 WeakPolarHBondContact O-CD2 3.18Å; T203-Y207 PolarHBondContact O-N 3.49Å; E204-Y207 PolarHBondContact O-N 3.09Å; D205-Y207 VanDerWaalsContact C-N 3.35Å; D205-Y207 PolarHBondContact O-N 3.2Å; Y207-N210 PolarHBondContact O-N 2.96Å; Y207-N211 PolarHBondContact O-N 3.41Å; Y207-N211 VanDerWaalsContact O-N 3.14Å; Y207-I212 HydrophobicContact CD1-CB 4.34Å; Y207-I212 HydrophobicContact CD1-CD1 3.68Å; Y207-I212 HydrophobicContact CD1-CG1 3.57Å; Y207-I212 HydrophobicContact CD2-CD1 4.34Å; Y207-I212 HydrophobicContact CE1-CD1 3.79Å; Y207-I212 HydrophobicContact CE1-CG1 4.15Å; Y207-I212 HydrophobicContact CE2-CD1 4.47Å; Y207-I212 HydrophobicContact CG-CD1 3.96Å; Y207-I212 HydrophobicContact CG-CG1 3.89Å; Y207-I212 WeakPolarHBondContact O-CG1 3.26Å; Y207-I212 PolarHBondContact O-N 3.12Å
208A98.6Very high97.3Very high41 Ų4151.9 Ų51.934%0.33927%0.268SS..Hα-helixtrans-63.7-49.2175.700000111.4E204 D205 N210 N211 L213E204-A208 WeakPolarHBondContact O-CB 3.41Å; E204-A208 PolarHBondContact O-N 3.46Å; D205-A208 PolarHBondContact O-N 2.88Å; A208-N210 PolarHBondContact O-N 3.02Å; A208-N211 PolarHBondContact O-N 3.06Å; A208-L213 HydrophobicContact CB-CD1 3.77Å; A208-L213 HydrophobicContact CB-CG 4.44Å
209Q98.3Very high97.4Very high144 Ų14450.8 Ų50.867%0.67326%0.264SS*.Hα-helixtrans-59.1-32.7179.5-73.2167.123.500112.6D205D205-Q209 WeakPolarHBondContact O-CB 3.46Å; D205-Q209 WeakPolarHBondContact O-CG 3.47Å; D205-Q209 PolarHBondContact O-N 3.5Å
210N98.3Very high97.5Very high64 Ų6453.8 Ų53.834%0.34228%0.279SS..THydrogen-bonded Turntrans-92.82.6178-70.3-81.9000113.6V85 L89 L206 Y207 A208 I212V85-N210 HydrophobicContact CG1-CB 4.26Å; L89-N210 HydrophobicContact CD1-CB 3.92Å; L206-N210 PolarHBondContact O-N 3.06Å; L206-N210 PolarHBondContact O-ND2 3.24Å; Y207-N210 PolarHBondContact O-N 2.96Å; A208-N210 PolarHBondContact O-N 3.02Å; N210-I212 VanDerWaalsContact C-N 3.3Å; N210-I212 HydrophobicContact CB-CD1 4.21Å; N210-I212 HydrophobicContact CB-CG1 3.98Å; N210-I212 PolarHBondContact O-N 3.47Å
211N97.9Very high97.6Very high148 Ų14855.4 Ų55.479%0.79129%0.289SS*.THydrogen-bonded Turntrans57.236.9-178.5-56.1-80.9000114.2Y207 A208Y207-N211 PolarHBondContact O-N 3.41Å; Y207-N211 VanDerWaalsContact O-N 3.14Å; A208-N211 PolarHBondContact O-N 3.06Å
212I98Very high97.6Very high2 Ų252.9 Ų52.91%0.0128%0.28CS..  trans-115.817.6-176.856167.8000113.5V85 L89 L96 Y207 N210 E214 L215V85-I212 HydrophobicContact CG1-CD1 3.87Å; V85-I212 HydrophobicContact CG2-CD1 4.11Å; L89-I212 HydrophobicContact CD2-CG2 4.19Å; L96-I212 HydrophobicContact CD2-CG2 4.08Å; Y207-I212 HydrophobicContact CD1-CB 4.34Å; Y207-I212 HydrophobicContact CD1-CD1 3.68Å; Y207-I212 HydrophobicContact CD1-CG1 3.57Å; Y207-I212 HydrophobicContact CD2-CD1 4.34Å; Y207-I212 HydrophobicContact CE1-CD1 3.79Å; Y207-I212 HydrophobicContact CE1-CG1 4.15Å; Y207-I212 HydrophobicContact CE2-CD1 4.47Å; Y207-I212 HydrophobicContact CG-CD1 3.96Å; Y207-I212 HydrophobicContact CG-CG1 3.89Å; Y207-I212 WeakPolarHBondContact O-CG1 3.26Å; Y207-I212 PolarHBondContact O-N 3.12Å; N210-I212 VanDerWaalsContact C-N 3.3Å; N210-I212 HydrophobicContact CB-CD1 4.21Å; N210-I212 HydrophobicContact CB-CG1 3.98Å; N210-I212 PolarHBondContact O-N 3.47Å; I212-E214 PolarHBondContact O-N 3.07Å; I212-L215 HydrophobicContact CB-CD1 4.02Å; I212-L215 HydrophobicContact CB-CD2 4.24Å; I212-L215 HydrophobicContact CB-CG 3.97Å; I212-L215 HydrophobicContact CG2-CD1 4.48Å; I212-L215 HydrophobicContact CG2-CD2 4.13Å; I212-L215 HydrophobicContact CG2-CG 4.4Å; I212-L215 WeakPolarHBondContact O-CG 3.47Å
213L97.8Very high97.5Very high43 Ų4355 Ų5523%0.22529%0.29CS..THydrogen-bonded Turntrans-66.7-17.9174.4-75.8172.6000113.6R115 E204 A208R115-L213 PolarHBondContact NH2-O 3.18Å; E204-L213 WeakPolarHBondContact OE2-CD2 3.4Å; A208-L213 HydrophobicContact CB-CD1 3.77Å; A208-L213 HydrophobicContact CB-CG 4.44Å
214E96.6Very high97.5Very high141 Ų14159.2 Ų59.266%0.65931%0.312SS*.THydrogen-bonded Turntrans-115.426.3-174.9-64.8-54.9147.800114.3R115 I212R115-E214 IonicContact NH2-OE1 2.74Å; R115-E214 IonicContact NH2-OE2 2.71Å; R115-E214 PolarHBondContact NH2-OE2 2.84Å; I212-E214 PolarHBondContact O-N 3.07Å
215L96.6Very high97.4Very high6 Ų660.3 Ų60.33%0.03132%0.32CS..  trans-56136.8178-67.7176000112.1V94 L96 C107 R108 L111 R112 I212V94-L215 HydrophobicContact CG1-CD1 3.73Å; V94-L215 HydrophobicContact CG1-CD2 3.53Å; V94-L215 HydrophobicContact CG1-CG 4.29Å; L96-L215 HydrophobicContact CD2-CD2 3.83Å; C107-L215 HydrophobicContact CB-CD1 3.84Å; R108-L215 HydrophobicContact CB-CD1 4.3Å; L111-L215 HydrophobicContact CD2-CB 3.85Å; L111-L215 HydrophobicContact CD2-CG 4.41Å; R112-L215 PolarHBondContact NH1-O 3.01Å; R112-L215 PolarHBondContact NH2-O 2.99Å; I212-L215 HydrophobicContact CB-CD1 4.02Å; I212-L215 HydrophobicContact CB-CD2 4.24Å; I212-L215 HydrophobicContact CB-CG 3.97Å; I212-L215 HydrophobicContact CG2-CD1 4.48Å; I212-L215 HydrophobicContact CG2-CD2 4.13Å; I212-L215 HydrophobicContact CG2-CG 4.4Å; I212-L215 WeakPolarHBondContact O-CG 3.47Å
216P91.2Very high97.3Very high45 Ų4559.5 Ų59.529%0.29232%0.316SS..  trans-67.20-174.735.6-44.1000113.6D95 K98 R99 R108 R112D95-P216 HydrophobicContact CB-CG 4.45Å; D95-P216 WeakPolarHBondContact O-CD 3.2Å; D95-P216 WeakPolarHBondContact O-CG 3.46Å; K98-P216 VanDerWaalsContact N-CG 3.34Å; R99-P216 HydrophobicContact CG-CB 4.06Å; R99-P216 HydrophobicContact CG-CG 4.25Å; R99-P216 PolarHBondContact NE-OXT 3.41Å; R108-P216 PolarHBondContact NE-O 3.05Å; R108-P216 VanDerWaalsContact NH2-C 3.31Å; R108-P216 PolarHBondContact NH2-O 3.01Å; R108-P216 PolarHBondContact NH2-OXT 3.28Å; R112-P216 PolarHBondContact NH2-O 2.98Å; R112-P216 PolarHBondContact NH2-OXT 3.28Å

Retrieved 216 of 216 residues in 215.5 ms (Link to these results)

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