A0A087XAL8_POEFO Loading...

Lysophosphatidic acid receptor 4

AlphaFold DB , UniProt , Accession A0A087XAL8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 352 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
1M31Very low40.1Very low243 Ų243119.4 Ų119.4100%1.19770%0.703SS**  099.10-78.9-178.4-103.400107.3
2A35.8Very low40.9Very low98 Ų98119.5 Ų119.581%0.8169%0.692SS**PPolyproline II helixtrans-82.5123.8177.100000108.2
3S35.9Very low42Very low115 Ų115117.2 Ų117.280%0.80468%0.675SS**PPolyproline II helixtrans-64.6130.3-172.6-52.10000112.1
4L40.2Very low43.8Very low124 Ų124111.1 Ų111.165%0.64964%0.643SS**PPolyproline II helixtrans-74120.4171.7-68.8163.4000108.8
5V38.8Very low45Very low99 Ų99107.9 Ų107.960%0.664%0.642SS**EExtended strand (participates in β ladder)trans-103.4109.6169.1-178.30000107.4
6I40.3Very low46.6Very low132 Ų132103 Ų10368%0.67761%0.612SS**EExtended strand (participates in β ladder)trans-83.7116.6174.9-58.1175.4000106.9
7N42.4Very low48.3Very low84 Ų84104.1 Ų104.145%0.44961%0.614SS.*EExtended strand (participates in β ladder)trans-81154.3170.6-170.83.4000110T9 G10 V11N7-T9 PolarHBondContact O-N 3.29Å; N7-G10 PolarHBondContact O-N 3.38Å; N7-V11 PolarHBondContact N-O 3.34Å
8E42.2Very low50.1Low198 Ų198100.8 Ų100.893%0.92559%0.593SS**THydrogen-bonded Turntrans-54.7-0.6-175.4-68.4-119.3137.400115.9
9T47.6Very low51.9Low107 Ų10797.3 Ų97.366%0.65658%0.575SS**THydrogen-bonded Turntrans-10710.7174.750.80000113.5N7 V11N7-T9 PolarHBondContact O-N 3.29Å; T9-V11 VanDerWaalsContact C-N 3.29Å; T9-V11 PolarHBondContact O-N 3.18Å; T9-V11 WeakPolarHBondContact OG1-CG2 3.22Å
10G40.2Very low53.9Low66 Ų6696.2 Ų96.268%0.6856%0.562SS**THydrogen-bonded Turntrans68.628.5-175.800000112.9N7N7-G10 PolarHBondContact O-N 3.38Å
11V46.5Very low55.7Low47 Ų4792.5 Ų92.529%0.28554%0.54SS..EExtended strand (participates in β ladder)trans-99122179.8177.80000109.1N7 T9 D13N7-V11 PolarHBondContact N-O 3.34Å; T9-V11 VanDerWaalsContact C-N 3.29Å; T9-V11 PolarHBondContact O-N 3.18Å; T9-V11 WeakPolarHBondContact OG1-CG2 3.22Å; V11-D13 VanDerWaalsContact C-N 3.31Å; V11-D13 PolarHBondContact O-N 3.4Å
12E49.3Very low58.6Low121 Ų12182.5 Ų82.557%0.56549%0.489SS*.EExtended strand (participates in β ladder)trans-62.894.6157.5-66.4-177.6162.500107.6C14E12-C14 PolarHBondContact O-N 3.46Å
13D55.3Low61.4Low90 Ų9083.1 Ų83.148%0.48148%0.479SS..EExtended strand (participates in β ladder)trans-85.8107.2168.1-170.83.8000106.9V11 G15V11-D13 VanDerWaalsContact C-N 3.31Å; V11-D13 PolarHBondContact O-N 3.4Å; D13-G15 PolarHBondContact O-N 2.95Å; D13-G15 PolarHBondContact OD1-N 2.98Å
14C68Low64.2Low32 Ų3280 Ų8022%0.21645%0.452CS..  trans-67.86.4177-53.40000112.4E12 I16 C266E12-C14 PolarHBondContact O-N 3.46Å; C14-I16 HydrophobicContact CB-CD1 3.87Å; C14-I16 HydrophobicContact CB-CG1 4.16Å; C14-C266 HydrophobicContact CB-CB 3.95Å; C14-C266 WeakPolarHBondContact CB-SG 3.39Å; C14-C266 WeakPolarHBondContact SG-CA 3.18Å; C14-C266 WeakPolarHBondContact SG-CB 3.43Å; C14-C266 CovalentContact SG-SG 2.06Å; C14-C266 PolarHBondContact SG-SG 3.23Å
15G61.2Low66.9Low62 Ų6275 Ų7564%0.63943%0.425SS*.  trans66.248.9168.500000112.7D13D13-G15 PolarHBondContact O-N 2.95Å; D13-G15 PolarHBondContact OD1-N 2.98Å
16I70.5Confident69.6Low30 Ų3071.3 Ų71.315%0.15440%0.404CS..  trans-107.1111.1-171.2-56.8163.9000109.9C14 D18 E269 R270 R273C14-I16 HydrophobicContact CB-CD1 3.87Å; C14-I16 HydrophobicContact CB-CG1 4.16Å; I16-D18 PolarHBondContact O-N 3.02Å; I16-E269 HydrophobicContact CD1-CG 4.34Å; I16-R270 HydrophobicContact CD1-CB 3.9Å; I16-R270 HydrophobicContact CD1-CG 4.23Å; I16-R270 HydrophobicContact CG1-CB 4.4Å; I16-R270 HydrophobicContact CG1-CG 4.25Å; I16-R273 HydrophobicContact CG2-CB 4.43Å
17D76.3Confident72.3Confident121 Ų12169.4 Ų69.465%0.64740%0.398SS*.  trans-80.8108.5165.8-178.512.7000109.8S19D17-S19 WeakPolarHBondContact OD1-CB 3.34Å; D17-S19 PolarHBondContact OD1-N 3.12Å; D17-S19 PolarHBondContact OD1-OG 3.05Å; D17-S19 PolarHBondContact OD2-OG 3.26Å
18D80.6Confident74.9Confident46 Ų4666.8 Ų66.825%0.24639%0.385CS..  trans-100.612.7177.371.5-19.5000112.7I16 F20 K21I16-D18 PolarHBondContact O-N 3.02Å; D18-F20 PolarHBondContact O-N 3.1Å; D18-F20 VanDerWaalsContact O-N 3.11Å; D18-K21 HydrophobicContact CB-CD 4.27Å; D18-K21 WeakPolarHBondContact O-CB 3.43Å; D18-K21 WeakPolarHBondContact O-CD 3.3Å; D18-K21 WeakPolarHBondContact O-CG 3.27Å; D18-K21 PolarHBondContact O-N 3.25Å; D18-K21 IonicContact OD1-NZ 2.83Å; D18-K21 WeakPolarHBondContact OD2-CE 3.5Å; D18-K21 IonicContact OD2-NZ 3.14Å; D18-K21 PolarHBondContact OD2-NZ 3.43Å
19S84.6Confident77.5Confident34 Ų3458 Ų5824%0.23834%0.344CS..THydrogen-bonded Turntrans-61.7-22.5-175.465.80000114.3D17 K21 Y22D17-S19 WeakPolarHBondContact OD1-CB 3.34Å; D17-S19 PolarHBondContact OD1-N 3.12Å; D17-S19 PolarHBondContact OD1-OG 3.05Å; D17-S19 PolarHBondContact OD2-OG 3.26Å; S19-K21 PolarHBondContact O-N 2.88Å; S19-K21 VanDerWaalsContact O-N 3.15Å; S19-Y22 WeakPolarHBondContact O-CD2 3.35Å; S19-Y22 PolarHBondContact O-N 2.83Å
20F91.1Very high79.9Confident74 Ų7455.2 Ų55.233%0.32533%0.329SS..Hα-helixtrans-57.8-27.5174.279.8-88.3000112.7D18 Y22 N23 L24 I274 P277 I278D18-F20 PolarHBondContact O-N 3.1Å; D18-F20 VanDerWaalsContact O-N 3.11Å; F20-Y22 PolarHBondContact O-N 3.09Å; F20-N23 PolarHBondContact O-N 3.45Å; F20-L24 HydrophobicContact CE2-CD2 4.16Å; F20-L24 PolarHBondContact O-N 3.31Å; F20-L24 VanDerWaalsContact O-N 3.07Å; F20-I274 WeakPolarHBondContact CZ-O 3.34Å; F20-P277 HydrophobicContact CE2-CB 4.33Å; F20-P277 HydrophobicContact CZ-CB 4.39Å; F20-P277 HydrophobicContact CZ-CG 4.19Å; F20-I278 HydrophobicContact CE2-CG1 4.44Å
21K91.9Very high82.6Confident20 Ų2056 Ų569%0.08732%0.32CS..Hα-helixtrans-58.6-34.9-178.278.2-167.6178.4179.80112.2D18 S19 L24 Y25 E173 P277D18-K21 HydrophobicContact CB-CD 4.27Å; D18-K21 WeakPolarHBondContact O-CB 3.43Å; D18-K21 WeakPolarHBondContact O-CD 3.3Å; D18-K21 WeakPolarHBondContact O-CG 3.27Å; D18-K21 PolarHBondContact O-N 3.25Å; D18-K21 IonicContact OD1-NZ 2.83Å; D18-K21 WeakPolarHBondContact OD2-CE 3.5Å; D18-K21 IonicContact OD2-NZ 3.14Å; D18-K21 PolarHBondContact OD2-NZ 3.43Å; S19-K21 PolarHBondContact O-N 2.88Å; S19-K21 VanDerWaalsContact O-N 3.15Å; K21-L24 PolarHBondContact O-N 3.49Å; K21-Y25 HydrophobicContact CB-CD2 4.35Å; K21-Y25 HydrophobicContact CB-CE2 3.94Å; K21-Y25 HydrophobicContact CD-CE2 4.33Å; K21-Y25 HydrophobicContact CG-CD2 4.36Å; K21-Y25 HydrophobicContact CG-CE2 3.99Å; K21-Y25 VanDerWaalsContact O-CB 3.3Å; K21-Y25 WeakPolarHBondContact O-CB 3.37Å; K21-Y25 VanDerWaalsContact O-CD2 3.22Å; K21-Y25 WeakPolarHBondContact O-CD2 3.49Å; K21-Y25 PolarHBondContact O-N 3.04Å; K21-E173 IonicContact NZ-OE2 3.33Å; K21-E173 PolarHBondContact NZ-OE2 2.77Å; K21-P277 HydrophobicContact CB-CB 3.87Å; K21-P277 HydrophobicContact CB-CG 3.85Å
22Y91.9Very high85Confident32 Ų3253.8 Ų53.813%0.12531%0.307CS..Hα-helixtrans-66.1-45.7-178.2-64-70.1000111.5S19 F20 S26S19-Y22 WeakPolarHBondContact O-CD2 3.35Å; S19-Y22 PolarHBondContact O-N 2.83Å; F20-Y22 PolarHBondContact O-N 3.09Å; Y22-S26 WeakPolarHBondContact O-CB 3.36Å; Y22-S26 PolarHBondContact O-N 3.33Å
23N94.5Very high87.3Confident112 Ų11250.9 Ų50.960%0.59929%0.292SS*.Hα-helixtrans-66.6-41176.7-69.2-14.3000111.3F20 T27F20-N23 PolarHBondContact O-N 3.45Å; N23-T27 WeakPolarHBondContact O-CB 3.49Å; N23-T27 PolarHBondContact O-N 3.47Å; N23-T27 PolarHBondContact O-OG1 3.39Å
24L95.5Very high89.3Confident49 Ų4950.5 Ų50.526%0.25729%0.293SS..Hα-helixtrans-61-52.3176.617965.9000111.3F20 K21 S26 T27 V28 P277 I278F20-L24 HydrophobicContact CE2-CD2 4.16Å; F20-L24 PolarHBondContact O-N 3.31Å; F20-L24 VanDerWaalsContact O-N 3.07Å; K21-L24 PolarHBondContact O-N 3.49Å; L24-S26 PolarHBondContact O-N 2.94Å; L24-T27 PolarHBondContact O-N 3.01Å; L24-V28 HydrophobicContact CD1-CG2 3.98Å; L24-V28 WeakPolarHBondContact O-CG2 3.38Å; L24-V28 PolarHBondContact O-N 3.3Å; L24-P277 HydrophobicContact CD2-CB 4.2Å; L24-I278 HydrophobicContact CD2-CG1 3.98Å
25Y95.6Very high90.6Very high20 Ų2050.7 Ų50.78%0.07830%0.295CS..Hα-helixtrans-61.1-45.1179-66.9-25.5000111.9K21 T27 Y29 N82 P277 L280 C281K21-Y25 HydrophobicContact CB-CD2 4.35Å; K21-Y25 HydrophobicContact CB-CE2 3.94Å; K21-Y25 HydrophobicContact CD-CE2 4.33Å; K21-Y25 HydrophobicContact CG-CD2 4.36Å; K21-Y25 HydrophobicContact CG-CE2 3.99Å; K21-Y25 VanDerWaalsContact O-CB 3.3Å; K21-Y25 WeakPolarHBondContact O-CB 3.37Å; K21-Y25 VanDerWaalsContact O-CD2 3.22Å; K21-Y25 WeakPolarHBondContact O-CD2 3.49Å; K21-Y25 PolarHBondContact O-N 3.04Å; Y25-T27 VanDerWaalsContact C-N 3.35Å; Y25-T27 PolarHBondContact O-N 2.97Å; Y25-Y29 HydrophobicContact CG-CE2 4.28Å; Y25-Y29 WeakPolarHBondContact O-CB 3.42Å; Y25-Y29 WeakPolarHBondContact O-CD2 3.38Å; Y25-Y29 PolarHBondContact O-N 3.47Å; Y25-N82 WeakPolarHBondContact CB-ND2 3.22Å; Y25-N82 WeakPolarHBondContact CD2-OD1 3.48Å; Y25-P277 HydrophobicContact CE1-CB 3.73Å; Y25-P277 VanDerWaalsContact OH-CA 3.28Å; Y25-P277 WeakPolarHBondContact OH-CA 3.49Å; Y25-P277 WeakPolarHBondContact OH-CB 3.38Å; Y25-L280 HydrophobicContact CD1-CD2 4.43Å; Y25-L280 HydrophobicContact CE1-CB 4.37Å; Y25-L280 HydrophobicContact CE1-CD2 3.57Å; Y25-L280 HydrophobicContact CE1-CG 4.48Å; Y25-L280 WeakPolarHBondContact OH-CD2 3.48Å; Y25-C281 VanDerWaalsContact CD1-SG 3.57Å
26S95.9Very high92.2Very high21 Ų2147.8 Ų47.815%0.14726%0.264CS..Hα-helixtrans-57-49.4177177.90000111.2Y22 L24 S30 V83Y22-S26 WeakPolarHBondContact O-CB 3.36Å; Y22-S26 PolarHBondContact O-N 3.33Å; L24-S26 PolarHBondContact O-N 2.94Å; S26-S30 WeakPolarHBondContact O-CB 3.49Å; S26-S30 PolarHBondContact O-N 3.42Å; S26-S30 VanDerWaalsContact O-N 3.08Å; S26-S30 PolarHBondContact O-OG 3.05Å; S26-S30 VanDerWaalsContact O-OG 3.07Å; S26-V83 VanDerWaalsContact OG-CG2 3.24Å; S26-V83 WeakPolarHBondContact OG-CG2 3.4Å
27T96.7Very high93.4Very high92 Ų9248.5 Ų48.556%0.56427%0.268SS*.Hα-helixtrans-64.5-52.1-178.3-53.50000111.8N23 L24 Y25 S30 V31N23-T27 WeakPolarHBondContact O-CB 3.49Å; N23-T27 PolarHBondContact O-N 3.47Å; N23-T27 PolarHBondContact O-OG1 3.39Å; L24-T27 PolarHBondContact O-N 3.01Å; Y25-T27 VanDerWaalsContact C-N 3.35Å; Y25-T27 PolarHBondContact O-N 2.97Å; T27-S30 PolarHBondContact O-N 2.95Å; T27-V31 WeakPolarHBondContact O-CG2 3.19Å; T27-V31 PolarHBondContact O-N 3.23Å
28V97.2Very high94.2Very high28 Ų2849 Ų4917%0.1727%0.269CS..Hα-helixtrans-67.4-44.5-176175.60000110.9L24 S30 V31 V32 C281L24-V28 HydrophobicContact CD1-CG2 3.98Å; L24-V28 WeakPolarHBondContact O-CG2 3.38Å; L24-V28 PolarHBondContact O-N 3.3Å; V28-S30 VanDerWaalsContact C-N 3.31Å; V28-S30 PolarHBondContact O-N 3.48Å; V28-V31 PolarHBondContact O-N 3.26Å; V28-V31 VanDerWaalsContact O-N 3.16Å; V28-V32 HydrophobicContact CG1-CG2 3.99Å; V28-V32 VanDerWaalsContact O-CG2 3.29Å; V28-V32 WeakPolarHBondContact O-CG2 3.14Å; V28-V32 PolarHBondContact O-N 3.48Å; V28-C281 HydrophobicContact CB-CB 4.23Å; V28-C281 HydrophobicContact CG1-CB 3.88Å; V28-C281 HydrophobicContact CG2-CB 4.08Å
29Y97.4Very high94.8Very high14 Ų1449 Ų496%0.05527%0.27CS..Hα-helixtrans-67-31.3180-66.3-16000112.7Y25 F33 L75 K78 L280Y25-Y29 HydrophobicContact CG-CE2 4.28Å; Y25-Y29 WeakPolarHBondContact O-CB 3.42Å; Y25-Y29 WeakPolarHBondContact O-CD2 3.38Å; Y25-Y29 PolarHBondContact O-N 3.47Å; Y29-F33 WeakPolarHBondContact O-CB 3.24Å; Y29-F33 PolarHBondContact O-N 3.35Å; Y29-L75 HydrophobicContact CD1-CD2 3.98Å; Y29-L75 HydrophobicContact CD2-CD2 4.15Å; Y29-L75 HydrophobicContact CE1-CD2 4.47Å; Y29-L75 HydrophobicContact CG-CD2 3.8Å; Y29-K78 HydrophobicContact CD2-CB 3.94Å; Y29-K78 HydrophobicContact CE2-CB 4.18Å; Y29-L280 WeakPolarHBondContact OH-CD2 3.46Å
30S97.6Very high95.2Very high49 Ų4947.4 Ų47.434%0.34326%0.259SS..Hα-helixtrans-63.7-43.5170.3-73.70000112.2S26 T27 V28 F33 V34S26-S30 WeakPolarHBondContact O-CB 3.49Å; S26-S30 PolarHBondContact O-N 3.42Å; S26-S30 VanDerWaalsContact O-N 3.08Å; S26-S30 PolarHBondContact O-OG 3.05Å; S26-S30 VanDerWaalsContact O-OG 3.07Å; T27-S30 PolarHBondContact O-N 2.95Å; V28-S30 VanDerWaalsContact C-N 3.31Å; V28-S30 PolarHBondContact O-N 3.48Å; S30-F33 PolarHBondContact O-N 2.67Å; S30-V34 WeakPolarHBondContact O-CG2 3.41Å; S30-V34 PolarHBondContact O-N 3.14Å
31V96.9Very high95.4Very high83 Ų8346.6 Ų46.650%0.50326%0.261SS..Hα-helixtrans-63.1-52.1175.5173.40000110.4T27 V28 F33 V34 S35T27-V31 WeakPolarHBondContact O-CG2 3.19Å; T27-V31 PolarHBondContact O-N 3.23Å; V28-V31 PolarHBondContact O-N 3.26Å; V28-V31 VanDerWaalsContact O-N 3.16Å; V31-F33 PolarHBondContact O-N 3.14Å; V31-V34 PolarHBondContact O-N 2.83Å; V31-S35 PolarHBondContact O-N 3.41Å; V31-S35 PolarHBondContact O-OG 3.3Å
32V96.9Very high95.3Very high0 Ų048.2 Ų48.20%028%0.279CS..Hα-helixtrans-58.9-37.6179.5175.50000111.3V28 G36 F71 L75 S284 L285V28-V32 HydrophobicContact CG1-CG2 3.99Å; V28-V32 VanDerWaalsContact O-CG2 3.29Å; V28-V32 WeakPolarHBondContact O-CG2 3.14Å; V28-V32 PolarHBondContact O-N 3.48Å; V32-G36 WeakPolarHBondContact O-CA 3.13Å; V32-G36 PolarHBondContact O-N 3.42Å; V32-F71 HydrophobicContact CG1-CE1 4.4Å; V32-L75 HydrophobicContact CB-CD1 3.9Å; V32-L75 HydrophobicContact CG1-CD1 3.55Å; V32-S284 WeakPolarHBondContact CG1-O 3.43Å; V32-L285 HydrophobicContact CG2-CD2 3.81Å; V32-L285 HydrophobicContact CG2-CG 4.39Å
33F97.6Very high95.3Very high60 Ų6046.7 Ų46.726%0.26327%0.273SS..Hα-helixtrans-59.9-53.7176.1171.7-109.4000111.4Y29 S30 V31 L37 V72 L75 P76Y29-F33 WeakPolarHBondContact O-CB 3.24Å; Y29-F33 PolarHBondContact O-N 3.35Å; S30-F33 PolarHBondContact O-N 2.67Å; V31-F33 PolarHBondContact O-N 3.14Å; F33-L37 HydrophobicContact CE2-CD2 4.21Å; F33-L37 HydrophobicContact CZ-CD2 4.06Å; F33-L37 WeakPolarHBondContact O-CB 3.47Å; F33-L37 PolarHBondContact O-N 3.18Å; F33-V72 HydrophobicContact CD2-CG1 3.78Å; F33-V72 WeakPolarHBondContact CD2-O 3.23Å; F33-V72 HydrophobicContact CE2-CG1 4.33Å; F33-L75 HydrophobicContact CB-CB 4.17Å; F33-L75 HydrophobicContact CB-CD1 4.23Å; F33-P76 HydrophobicContact CD2-CG 3.73Å; F33-P76 HydrophobicContact CE1-CG 4.38Å; F33-P76 HydrophobicContact CE2-CG 3.55Å; F33-P76 HydrophobicContact CG-CG 4.24Å; F33-P76 HydrophobicContact CZ-CG 3.9Å
34V96.6Very high95.1Very high82 Ų8242.8 Ų42.850%0.49725%0.252SS..Hα-helixtrans-65.8-54.3-177175.80000110.8S30 V31 M38S30-V34 WeakPolarHBondContact O-CG2 3.41Å; S30-V34 PolarHBondContact O-N 3.14Å; V31-V34 PolarHBondContact O-N 2.83Å; V34-M38 HydrophobicContact CG1-SD 4.02Å; V34-M38 WeakPolarHBondContact O-CB 3.42Å; V34-M38 VanDerWaalsContact O-CG 3.24Å; V34-M38 WeakPolarHBondContact O-CG 3.44Å; V34-M38 PolarHBondContact O-N 3.36Å; V34-M38 VanDerWaalsContact O-N 3.15Å
35S95.3Very high94.8Very high36 Ų3646 Ų4625%0.25226%0.264SS..Hα-helixtrans-67.2-46.4-176.855.40000111.5V31 L37 M38 T39 C288V31-S35 PolarHBondContact O-N 3.41Å; V31-S35 PolarHBondContact O-OG 3.3Å; S35-L37 PolarHBondContact O-N 3.14Å; S35-M38 PolarHBondContact O-N 3.37Å; S35-T39 WeakPolarHBondContact O-CB 3.2Å; S35-T39 WeakPolarHBondContact O-CG2 3.17Å; S35-T39 PolarHBondContact O-N 3.45Å; S35-T39 PolarHBondContact O-OG1 2.91Å; S35-C288 PolarHBondContact OG-SG 3.2Å
36G95.5Very high94.5Very high0 Ų045.5 Ų45.50%026%0.263CS..Hα-helixtrans-62.6-40.5-179.300000112.6V32 N40V32-G36 WeakPolarHBondContact O-CA 3.13Å; V32-G36 PolarHBondContact O-N 3.42Å; G36-N40 VanDerWaalsContact O-CB 3.24Å; G36-N40 WeakPolarHBondContact O-CB 3.33Å; G36-N40 PolarHBondContact O-N 3.45Å; G36-N40 PolarHBondContact O-ND2 3.34Å
37L95.8Very high94.1Very high46 Ų4644.5 Ų44.524%0.24126%0.256CS..Hα-helixtrans-63.5-51.9176.2-17665.8000110.4F33 S35 T39 C41 L69 V72 F73F33-L37 HydrophobicContact CE2-CD2 4.21Å; F33-L37 HydrophobicContact CZ-CD2 4.06Å; F33-L37 WeakPolarHBondContact O-CB 3.47Å; F33-L37 PolarHBondContact O-N 3.18Å; S35-L37 PolarHBondContact O-N 3.14Å; L37-T39 PolarHBondContact O-N 3.04Å; L37-C41 WeakPolarHBondContact O-CB 3.44Å; L37-C41 PolarHBondContact O-N 2.92Å; L37-C41 PolarHBondContact O-SG 3.39Å; L37-L69 HydrophobicContact CD1-CD2 3.98Å; L37-V72 HydrophobicContact CB-CG1 3.84Å; L37-V72 HydrophobicContact CD1-CG1 4.39Å; L37-F73 HydrophobicContact CD1-CE1 3.97Å; L37-F73 HydrophobicContact CD1-CE2 4.48Å; L37-F73 HydrophobicContact CD1-CZ 3.82Å
38M94Very high93.6Very high132 Ų13242.4 Ų42.465%0.6525%0.245SC*.Hα-helixtrans-58.4-49.7-178.9-71.3177.97000111.7V34 S35 A42V34-M38 HydrophobicContact CG1-SD 4.02Å; V34-M38 WeakPolarHBondContact O-CB 3.42Å; V34-M38 VanDerWaalsContact O-CG 3.24Å; V34-M38 WeakPolarHBondContact O-CG 3.44Å; V34-M38 PolarHBondContact O-N 3.36Å; V34-M38 VanDerWaalsContact O-N 3.15Å; S35-M38 PolarHBondContact O-N 3.37Å; M38-A42 WeakPolarHBondContact O-CB 3.36Å; M38-A42 PolarHBondContact O-N 2.83Å; M38-A42 VanDerWaalsContact O-N 3.16Å
39T92Very high93Very high46 Ų4648.5 Ų48.528%0.28227%0.269SS..Hα-helixtrans-74.3-39.9-173.259.30000112.9S35 L37 A42 A43 P291S35-T39 WeakPolarHBondContact O-CB 3.2Å; S35-T39 WeakPolarHBondContact O-CG2 3.17Å; S35-T39 PolarHBondContact O-N 3.45Å; S35-T39 PolarHBondContact O-OG1 2.91Å; L37-T39 PolarHBondContact O-N 3.04Å; T39-A42 PolarHBondContact O-N 3.31Å; T39-A43 WeakPolarHBondContact O-CB 3.45Å; T39-A43 PolarHBondContact O-N 2.9Å; T39-P291 HydrophobicContact CG2-CG 3.99Å; T39-P291 WeakPolarHBondContact OG1-CG 3.36Å
40N94.3Very high92.2Very high0 Ų054.9 Ų54.90%029%0.293CS..Hα-helixtrans-77.2-33.1-178.7-69.3-67.2000112.5G36 A43 L44 D68 L69 C287G36-N40 VanDerWaalsContact O-CB 3.24Å; G36-N40 WeakPolarHBondContact O-CB 3.33Å; G36-N40 PolarHBondContact O-N 3.45Å; G36-N40 PolarHBondContact O-ND2 3.34Å; N40-A43 PolarHBondContact O-N 3.46Å; N40-L44 PolarHBondContact O-N 3.14Å; N40-D68 HydrophobicContact CB-CB 4.49Å; N40-L69 HydrophobicContact CB-CD2 3.71Å; N40-L69 HydrophobicContact CB-CG 3.8Å; N40-C287 PolarHBondContact ND2-O 3.39Å
41C93.9Very high91.3Very high56 Ų5653.4 Ų53.438%0.37828%0.281SS..Hα-helixtrans-62.4-45.3169.4-73.90000111.5L37 A43 L44 F45L37-C41 WeakPolarHBondContact O-CB 3.44Å; L37-C41 PolarHBondContact O-N 2.92Å; L37-C41 PolarHBondContact O-SG 3.39Å; C41-A43 VanDerWaalsContact C-N 3.31Å; C41-A43 PolarHBondContact O-N 2.99Å; C41-L44 PolarHBondContact O-N 2.68Å; C41-F45 WeakPolarHBondContact O-CB 3.24Å; C41-F45 PolarHBondContact O-N 3.37Å
42A90.8Very high89.9Confident55 Ų5559.5 Ų59.546%0.45530%0.301SS..Hα-helixtrans-61.2-41.417500000111.7M38 T39 F45 V46M38-A42 WeakPolarHBondContact O-CB 3.36Å; M38-A42 PolarHBondContact O-N 2.83Å; M38-A42 VanDerWaalsContact O-N 3.16Å; T39-A42 PolarHBondContact O-N 3.31Å; A42-F45 PolarHBondContact O-N 3.37Å; A42-V46 WeakPolarHBondContact O-CG2 3.05Å; A42-V46 PolarHBondContact O-N 3.09Å
43A90.4Very high88.5Confident0 Ų065.6 Ų65.60%033%0.332CS..Hα-helixtrans-61.4-51.3176.900000112.5T39 N40 C41 F45 V46 F47 Y294 F301T39-A43 WeakPolarHBondContact O-CB 3.45Å; T39-A43 PolarHBondContact O-N 2.9Å; N40-A43 PolarHBondContact O-N 3.46Å; C41-A43 VanDerWaalsContact C-N 3.31Å; C41-A43 PolarHBondContact O-N 2.99Å; A43-F45 VanDerWaalsContact C-N 3.29Å; A43-F45 PolarHBondContact O-N 3.35Å; A43-V46 PolarHBondContact O-N 3.1Å; A43-F47 HydrophobicContact CB-CD2 4.42Å; A43-F47 HydrophobicContact CB-CE2 4.02Å; A43-F47 VanDerWaalsContact O-CD2 3.24Å; A43-F47 WeakPolarHBondContact O-CD2 3.41Å; A43-F47 VanDerWaalsContact O-CG 3.23Å; A43-F47 WeakPolarHBondContact O-CG 3.49Å; A43-F47 PolarHBondContact O-N 3.49Å; A43-Y294 HydrophobicContact CB-CD2 3.65Å; A43-Y294 HydrophobicContact CB-CE2 3.58Å; A43-F301 HydrophobicContact CB-CE2 4.27Å
44L91.6Very high87.6Confident29 Ų2967.7 Ų67.715%0.15234%0.338CS..Hα-helixtrans-60-40.4175.9-77.1-173.4000112.1N40 C41 V46 F47 C48 T62 A65 L69N40-L44 PolarHBondContact O-N 3.14Å; C41-L44 PolarHBondContact O-N 2.68Å; L44-V46 VanDerWaalsContact C-N 3.32Å; L44-V46 PolarHBondContact O-N 3.44Å; L44-F47 PolarHBondContact O-N 2.96Å; L44-C48 WeakPolarHBondContact O-CB 3.45Å; L44-C48 PolarHBondContact O-N 2.96Å; L44-C48 PolarHBondContact O-SG 3.35Å; L44-C48 VanDerWaalsContact O-SG 3.37Å; L44-T62 HydrophobicContact CD2-CG2 3.73Å; L44-T62 WeakPolarHBondContact CD2-O 3.18Å; L44-A65 HydrophobicContact CD2-CB 3.72Å; L44-A65 HydrophobicContact CG-CB 3.85Å; L44-L69 HydrophobicContact CD1-CD1 3.37Å; L44-L69 HydrophobicContact CD1-CG 4.47Å; L44-L69 HydrophobicContact CG-CD1 4.34Å
45F89.9Confident86.9Confident116 Ų11666.6 Ų66.651%0.50933%0.329SS..Hα-helixtrans-58.2-46.5176.2177.3-99.2000111.4C41 A42 A43 F49 R50C41-F45 WeakPolarHBondContact O-CB 3.24Å; C41-F45 PolarHBondContact O-N 3.37Å; A42-F45 PolarHBondContact O-N 3.37Å; A43-F45 VanDerWaalsContact C-N 3.29Å; A43-F45 PolarHBondContact O-N 3.35Å; F45-F49 HydrophobicContact CD2-CB 4.45Å; F45-F49 AromaticContact CD2-CD2 3.65Å; F45-F49 HydrophobicContact CD2-CD2 3.65Å; F45-F49 HydrophobicContact CD2-CE2 4.33Å; F45-F49 HydrophobicContact CD2-CG 4.37Å; F45-F49 HydrophobicContact CE2-CB 4.26Å; F45-F49 HydrophobicContact CE2-CD2 4.08Å; F45-F49 HydrophobicContact CE2-CG 4.38Å; F45-F49 HydrophobicContact CG-CD2 4.37Å; F45-F49 WeakPolarHBondContact O-CB 3.49Å; F45-F49 WeakPolarHBondContact O-CD2 3.19Å; F45-F49 PolarHBondContact O-N 3.09Å; F45-R50 HydrophobicContact CD1-CG 4.29Å; F45-R50 HydrophobicContact CE1-CG 3.9Å
46V87.8Confident86.6Confident11 Ų1166.3 Ų66.37%0.06732%0.324CS..Iπ-helixtrans-64.4-46.9177.3174.70000111.3A42 A43 L44 C48 R50 M51 F301A42-V46 WeakPolarHBondContact O-CG2 3.05Å; A42-V46 PolarHBondContact O-N 3.09Å; A43-V46 PolarHBondContact O-N 3.1Å; L44-V46 VanDerWaalsContact C-N 3.32Å; L44-V46 PolarHBondContact O-N 3.44Å; V46-C48 VanDerWaalsContact C-N 3.35Å; V46-C48 PolarHBondContact O-N 3.05Å; V46-R50 HydrophobicContact CG1-CB 4.26Å; V46-R50 WeakPolarHBondContact O-CA 3.47Å; V46-R50 WeakPolarHBondContact O-CB 3.36Å; V46-R50 PolarHBondContact O-N 2.93Å; V46-M51 HydrophobicContact CG1-CG 4.09Å; V46-M51 WeakPolarHBondContact O-CG 3.44Å; V46-M51 PolarHBondContact O-N 3.48Å; V46-F301 HydrophobicContact CB-CD2 3.95Å; V46-F301 HydrophobicContact CB-CE2 4.01Å; V46-F301 HydrophobicContact CG1-CD2 3.6Å; V46-F301 HydrophobicContact CG1-CE2 4.15Å; V46-F301 HydrophobicContact CG2-CD2 4.43Å; V46-F301 HydrophobicContact CG2-CE2 4.19Å
47F87.9Confident86.2Confident0 Ų066.4 Ų66.40%033%0.325CS..Iπ-helixtrans-67-31.8-178.3-62.7-30.5000114.4A43 L44 M51 R54 T58 M61 Y294 F301A43-F47 HydrophobicContact CB-CD2 4.42Å; A43-F47 HydrophobicContact CB-CE2 4.02Å; A43-F47 VanDerWaalsContact O-CD2 3.24Å; A43-F47 WeakPolarHBondContact O-CD2 3.41Å; A43-F47 VanDerWaalsContact O-CG 3.23Å; A43-F47 WeakPolarHBondContact O-CG 3.49Å; A43-F47 PolarHBondContact O-N 3.49Å; L44-F47 PolarHBondContact O-N 2.96Å; F47-M51 HydrophobicContact CD1-CE 4.02Å; F47-M51 HydrophobicContact CD1-CG 4.38Å; F47-M51 HydrophobicContact CD1-SD 4.46Å; F47-M51 HydrophobicContact CE1-CE 4.46Å; F47-R54 PolarHBondContact O-NE 3.14Å; F47-R54 VanDerWaalsContact O-NE 3.14Å; F47-R54 PolarHBondContact O-NH2 3.19Å; F47-T58 HydrophobicContact CB-CG2 4.38Å; F47-T58 HydrophobicContact CD1-CG2 4.17Å; F47-T58 HydrophobicContact CG-CG2 4.37Å; F47-M61 HydrophobicContact CD2-CB 4.41Å; F47-M61 HydrophobicContact CE1-SD 4.21Å; F47-M61 HydrophobicContact CE2-CB 3.76Å; F47-M61 HydrophobicContact CZ-CB 3.94Å; F47-M61 HydrophobicContact CZ-SD 3.84Å; F47-Y294 HydrophobicContact CE2-CD1 4.23Å; F47-Y294 AromaticContact CE2-CD2 3.85Å; F47-Y294 HydrophobicContact CE2-CD2 3.85Å; F47-Y294 HydrophobicContact CE2-CE1 4.36Å; F47-Y294 AromaticContact CE2-CE2 3.98Å; F47-Y294 HydrophobicContact CE2-CE2 3.98Å; F47-Y294 HydrophobicContact CE2-CG 4.01Å; F47-Y294 AromaticContact CZ-CD1 3.97Å; F47-Y294 HydrophobicContact CZ-CD1 3.97Å; F47-Y294 AromaticContact CZ-CD2 3.8Å; F47-Y294 HydrophobicContact CZ-CD2 3.8Å; F47-Y294 HydrophobicContact CZ-CE2 4.38Å; F47-Y294 AromaticContact CZ-CG 3.6Å; F47-Y294 HydrophobicContact CZ-CG 3.6Å; F47-F301 HydrophobicContact CD1-CD2 4.3Å; F47-F301 HydrophobicContact CE1-CB 4.25Å; F47-F301 AromaticContact CE1-CD2 3.61Å; F47-F301 HydrophobicContact CE1-CD2 3.61Å; F47-F301 HydrophobicContact CE1-CE2 4.35Å; F47-F301 HydrophobicContact CE1-CG 4.18Å; F47-F301 HydrophobicContact CZ-CD2 4.03Å; F47-F301 HydrophobicContact CZ-CE2 4.41Å
48C86.3Confident85.9Confident48 Ų4864.4 Ų64.432%0.32431%0.314SS..Iπ-helixtrans-89.2-39.7-178.7-67.40000113.4L44 V46 R54L44-C48 WeakPolarHBondContact O-CB 3.45Å; L44-C48 PolarHBondContact O-N 2.96Å; L44-C48 PolarHBondContact O-SG 3.35Å; L44-C48 VanDerWaalsContact O-SG 3.37Å; V46-C48 VanDerWaalsContact C-N 3.35Å; V46-C48 PolarHBondContact O-N 3.05Å; C48-R54 VanDerWaalsContact CA-NH2 3.33Å; C48-R54 PolarHBondContact SG-NH2 2.91Å
49F84Confident85.8Confident156 Ų15660.4 Ų60.468%0.68430%0.295SS*.Iπ-helixtrans-116.2-24.1-167.9-57.7-76.8000114.4F45F45-F49 HydrophobicContact CD2-CB 4.45Å; F45-F49 AromaticContact CD2-CD2 3.65Å; F45-F49 HydrophobicContact CD2-CD2 3.65Å; F45-F49 HydrophobicContact CD2-CE2 4.33Å; F45-F49 HydrophobicContact CD2-CG 4.37Å; F45-F49 HydrophobicContact CE2-CB 4.26Å; F45-F49 HydrophobicContact CE2-CD2 4.08Å; F45-F49 HydrophobicContact CE2-CG 4.38Å; F45-F49 HydrophobicContact CG-CD2 4.37Å; F45-F49 WeakPolarHBondContact O-CB 3.49Å; F45-F49 WeakPolarHBondContact O-CD2 3.19Å; F45-F49 PolarHBondContact O-N 3.09Å
50R80.8Confident85.9Confident148 Ų14858.8 Ų58.856%0.55828%0.284SS*.Iπ-helixtrans-102.7-24.1-176-57.3-64.9-69.7-171.4-5.4113.5F45 V46 K52F45-R50 HydrophobicContact CD1-CG 4.29Å; F45-R50 HydrophobicContact CE1-CG 3.9Å; V46-R50 HydrophobicContact CG1-CB 4.26Å; V46-R50 WeakPolarHBondContact O-CA 3.47Å; V46-R50 WeakPolarHBondContact O-CB 3.36Å; V46-R50 PolarHBondContact O-N 2.93Å; R50-K52 PolarHBondContact O-N 3.37Å
51M79.7Confident85.8Confident17 Ų1758.9 Ų58.98%0.08428%0.284CS..  trans-84.8100.6-177.9-67.1-111.1-6400111.5V46 F47 I53 T58 S300V46-M51 HydrophobicContact CG1-CG 4.09Å; V46-M51 WeakPolarHBondContact O-CG 3.44Å; V46-M51 PolarHBondContact O-N 3.48Å; F47-M51 HydrophobicContact CD1-CE 4.02Å; F47-M51 HydrophobicContact CD1-CG 4.38Å; F47-M51 HydrophobicContact CD1-SD 4.46Å; F47-M51 HydrophobicContact CE1-CE 4.46Å; M51-I53 VanDerWaalsContact C-N 3.27Å; M51-I53 PolarHBondContact O-N 3.45Å; M51-T58 HydrophobicContact CE-CG2 3.3Å; M51-T58 WeakPolarHBondContact CE-OG1 3.43Å; M51-S300 WeakPolarHBondContact SD-CB 3.35Å
52K66.6Low85.7Confident212 Ų21257.3 Ų57.392%0.92227%0.273SS*.SBendtrans-61.6-30.3176.6-80.4-176.5175.9-179.40114R50R50-K52 PolarHBondContact O-N 3.37Å
53I68.1Low86Confident127 Ų12756.4 Ų56.465%0.65126%0.26SS*.SBendtrans-119.1107.7-179.2-55.8175.6000108.9M51M51-I53 VanDerWaalsContact C-N 3.27Å; M51-I53 PolarHBondContact O-N 3.45Å
54R77.3Confident86.1Confident105 Ų10556.4 Ų56.440%0.39626%0.26SS..  trans-84.5125.7170.3-74.7177.2150173.2-20.7109.5F47 C48 R135F47-R54 PolarHBondContact O-NE 3.14Å; F47-R54 VanDerWaalsContact O-NE 3.14Å; F47-R54 PolarHBondContact O-NH2 3.19Å; C48-R54 VanDerWaalsContact CA-NH2 3.33Å; C48-R54 PolarHBondContact SG-NH2 2.91Å; R54-R135 PolarHBondContact O-NE 3.14Å; R54-R135 PolarHBondContact O-NH2 3.02Å
55N83.2Confident86.3Confident58 Ų5855 Ų5531%0.3125%0.253SS..  trans-113.6177.5171.8637.1000110.2T57 T58 M59N55-T57 VanDerWaalsContact C-N 3.31Å; N55-T57 PolarHBondContact O-N 3.4Å; N55-T58 PolarHBondContact O-N 2.89Å; N55-T58 VanDerWaalsContact OD1-CB 3.27Å; N55-T58 WeakPolarHBondContact OD1-CB 3.35Å; N55-T58 PolarHBondContact OD1-N 3.37Å; N55-T58 PolarHBondContact OD1-OG1 3Å; N55-M59 PolarHBondContact O-N 3.2Å; N55-M59 VanDerWaalsContact O-N 3.15Å
56E88.6Confident86.6Confident31 Ų3154.6 Ų54.615%0.14525%0.251CS..Hα-helixtrans-58-45.8-178.1-57.767.8-13300110.4T58 M59 F60 A138E56-T58 PolarHBondContact O-N 3.46Å; E56-M59 VanDerWaalsContact O-CB 3.31Å; E56-M59 WeakPolarHBondContact O-CB 3.27Å; E56-M59 PolarHBondContact O-N 3.35Å; E56-M59 VanDerWaalsContact O-N 3.12Å; E56-F60 WeakPolarHBondContact O-CD2 3.48Å; E56-F60 PolarHBondContact O-N 3.44Å; E56-A138 HydrophobicContact CB-CB 3.97Å; E56-A138 HydrophobicContact CG-CB 4.11Å
57T86.9Confident87Confident1 Ų154.1 Ų54.11%0.00625%0.248CC..Hα-helixtrans-60.9-41.5178.7-290000112.9N55 M59 F60 M61 I115 D118 R119 T297N55-T57 VanDerWaalsContact C-N 3.31Å; N55-T57 PolarHBondContact O-N 3.4Å; T57-M59 VanDerWaalsContact C-N 3.25Å; T57-M59 PolarHBondContact O-N 3.15Å; T57-F60 PolarHBondContact O-N 3.45Å; T57-M61 HydrophobicContact CG2-CE 4.02Å; T57-M61 WeakPolarHBondContact O-CG 3.15Å; T57-M61 PolarHBondContact O-N 2.95Å; T57-M61 VanDerWaalsContact O-N 3.07Å; T57-I115 HydrophobicContact CG2-CB 4.48Å; T57-I115 HydrophobicContact CG2-CG1 4.18Å; T57-I115 HydrophobicContact CG2-CG2 3.88Å; T57-D118 PolarHBondContact OG1-OD2 3.3Å; T57-R119 PolarHBondContact OG1-NH1 2.71Å; T57-T297 HydrophobicContact CG2-CG2 3.76Å
58T88.8Confident87.4Confident4 Ų454.1 Ų54.13%0.02525%0.248CC..Hα-helixtrans-64.3-33.2177.6-58.60000111.2F47 M51 N55 E56 M61 T62F47-T58 HydrophobicContact CB-CG2 4.38Å; F47-T58 HydrophobicContact CD1-CG2 4.17Å; F47-T58 HydrophobicContact CG-CG2 4.37Å; M51-T58 HydrophobicContact CE-CG2 3.3Å; M51-T58 WeakPolarHBondContact CE-OG1 3.43Å; N55-T58 PolarHBondContact O-N 2.89Å; N55-T58 VanDerWaalsContact OD1-CB 3.27Å; N55-T58 WeakPolarHBondContact OD1-CB 3.35Å; N55-T58 PolarHBondContact OD1-N 3.37Å; N55-T58 PolarHBondContact OD1-OG1 3Å; E56-T58 PolarHBondContact O-N 3.46Å; T58-M61 PolarHBondContact O-N 2.91Å; T58-T62 WeakPolarHBondContact O-CB 3.22Å; T58-T62 PolarHBondContact O-N 2.76Å; T58-T62 PolarHBondContact O-OG1 2.91Å
59M92.6Very high87.8Confident48 Ų4852.5 Ų52.524%0.23624%0.236CC..Hα-helixtrans-64.6-45.3176.4-170.4178.4-65.800111.1N55 E56 T57 M61 T62 N63 R135 A138 A139N55-M59 PolarHBondContact O-N 3.2Å; N55-M59 VanDerWaalsContact O-N 3.15Å; E56-M59 VanDerWaalsContact O-CB 3.31Å; E56-M59 WeakPolarHBondContact O-CB 3.27Å; E56-M59 PolarHBondContact O-N 3.35Å; E56-M59 VanDerWaalsContact O-N 3.12Å; T57-M59 VanDerWaalsContact C-N 3.25Å; T57-M59 PolarHBondContact O-N 3.15Å; M59-M61 PolarHBondContact O-N 2.92Å; M59-T62 PolarHBondContact O-N 3.01Å; M59-N63 PolarHBondContact O-N 3.16Å; M59-N63 VanDerWaalsContact O-N 3.09Å; M59-N63 PolarHBondContact O-ND2 3.27Å; M59-R135 HydrophobicContact CE-CB 4.18Å; M59-A138 HydrophobicContact SD-CB 3.85Å; M59-A139 HydrophobicContact CE-CB 4.41Å; M59-A139 VanDerWaalsContact SD-CA 3.55Å; M59-A139 HydrophobicContact SD-CB 3.82Å; M59-A139 PolarHBondContact SD-N 3.01Å; M59-A139 VanDerWaalsContact SD-N 3.37Å
60F93.9Very high88.4Confident13 Ų1347.6 Ų47.66%0.05722%0.219CC..Hα-helixtrans-61.2-43.7174.5-60-48.1000111.9E56 T57 T62 N63 L64 F111 C114 I115 D118 A138 V141 C142E56-F60 WeakPolarHBondContact O-CD2 3.48Å; E56-F60 PolarHBondContact O-N 3.44Å; T57-F60 PolarHBondContact O-N 3.45Å; F60-T62 VanDerWaalsContact C-N 3.33Å; F60-T62 PolarHBondContact O-N 3.49Å; F60-N63 PolarHBondContact O-N 3.32Å; F60-L64 WeakPolarHBondContact O-CB 3.45Å; F60-L64 PolarHBondContact O-N 3.49Å; F60-F111 HydrophobicContact CB-CD1 4.45Å; F60-F111 HydrophobicContact CD1-CD1 4.24Å; F60-C114 HydrophobicContact CD1-CB 3.81Å; F60-C114 HydrophobicContact CD2-CB 3.96Å; F60-C114 HydrophobicContact CE1-CB 3.85Å; F60-C114 HydrophobicContact CE2-CB 3.98Å; F60-C114 HydrophobicContact CG-CB 3.89Å; F60-C114 HydrophobicContact CZ-CB 3.94Å; F60-I115 HydrophobicContact CB-CD1 4.21Å; F60-I115 HydrophobicContact CB-CG1 3.7Å; F60-I115 HydrophobicContact CD2-CG1 4.33Å; F60-I115 HydrophobicContact CG-CG1 4.43Å; F60-D118 HydrophobicContact CE2-CB 4.23Å; F60-A138 HydrophobicContact CE1-CB 4.3Å; F60-A138 HydrophobicContact CZ-CB 3.95Å; F60-V141 HydrophobicContact CE1-CB 4.24Å; F60-V141 HydrophobicContact CE1-CG1 3.92Å; F60-V141 HydrophobicContact CZ-CG1 4.3Å; F60-C142 WeakPolarHBondContact CD1-SG 3.48Å
61M92.3Very high89.2Confident2 Ų240.8 Ų40.81%0.0119%0.194CC..Hα-helixtrans-62.6-37.6175.4-67.2172.6-178.700113.6F47 T57 T58 M59 N63 L64 A65 I115 Y294 T297F47-M61 HydrophobicContact CD2-CB 4.41Å; F47-M61 HydrophobicContact CE1-SD 4.21Å; F47-M61 HydrophobicContact CE2-CB 3.76Å; F47-M61 HydrophobicContact CZ-CB 3.94Å; F47-M61 HydrophobicContact CZ-SD 3.84Å; T57-M61 HydrophobicContact CG2-CE 4.02Å; T57-M61 WeakPolarHBondContact O-CG 3.15Å; T57-M61 PolarHBondContact O-N 2.95Å; T57-M61 VanDerWaalsContact O-N 3.07Å; T58-M61 PolarHBondContact O-N 2.91Å; M59-M61 PolarHBondContact O-N 2.92Å; M61-N63 VanDerWaalsContact C-N 3.34Å; M61-L64 WeakPolarHBondContact O-CB 3.42Å; M61-L64 PolarHBondContact O-N 2.89Å; M61-A65 WeakPolarHBondContact O-CB 3.28Å; M61-A65 PolarHBondContact O-N 2.72Å; M61-I115 HydrophobicContact CG-CD1 4.03Å; M61-Y294 HydrophobicContact CB-CD1 4Å; M61-Y294 HydrophobicContact CB-CE1 3.83Å; M61-Y294 HydrophobicContact CG-CD1 3.76Å; M61-Y294 HydrophobicContact CG-CE1 3.91Å; M61-Y294 HydrophobicContact SD-CD1 3.95Å; M61-T297 HydrophobicContact CE-CG2 3Å
62T93.1Very high90Very high23 Ų2340 Ų4014%0.14119%0.19CC..Hα-helixtrans-65.8-41.4178.8-54.90000110.2L44 T58 M59 F60 F66L44-T62 HydrophobicContact CD2-CG2 3.73Å; L44-T62 WeakPolarHBondContact CD2-O 3.18Å; T58-T62 WeakPolarHBondContact O-CB 3.22Å; T58-T62 PolarHBondContact O-N 2.76Å; T58-T62 PolarHBondContact O-OG1 2.91Å; M59-T62 PolarHBondContact O-N 3.01Å; F60-T62 VanDerWaalsContact C-N 3.33Å; F60-T62 PolarHBondContact O-N 3.49Å; T62-F66 WeakPolarHBondContact O-CB 3.45Å; T62-F66 PolarHBondContact O-N 2.88Å
63N95.4Very high91.4Very high35 Ų3535.4 Ų35.419%0.18717%0.17CC..Hα-helixtrans-69.4-35.7175.9-75.8-89.1000112.4M59 F60 M61 F66 S67 F111 C142 W146M59-N63 PolarHBondContact O-N 3.16Å; M59-N63 VanDerWaalsContact O-N 3.09Å; M59-N63 PolarHBondContact O-ND2 3.27Å; F60-N63 PolarHBondContact O-N 3.32Å; M61-N63 VanDerWaalsContact C-N 3.34Å; N63-F66 PolarHBondContact O-N 3.41Å; N63-S67 WeakPolarHBondContact O-CB 3.36Å; N63-S67 PolarHBondContact O-N 3.39Å; N63-F111 HydrophobicContact CB-CD1 4.22Å; N63-F111 HydrophobicContact CB-CD2 4.44Å; N63-F111 HydrophobicContact CB-CE1 3.61Å; N63-F111 HydrophobicContact CB-CE2 3.87Å; N63-F111 HydrophobicContact CB-CZ 3.43Å; N63-F111 VanDerWaalsContact CB-CZ 3.43Å; N63-C142 PolarHBondContact ND2-SG 3.45Å; N63-W146 PolarHBondContact OD1-NE1 3.31Å
64L94.3Very high92.8Very high0 Ų029.9 Ų29.90%014%0.142CC..Hα-helixtrans-59.1-57.2172.6-17753.2000110.9F60 M61 F66 S67 D68 S108 F111 L112 Y294F60-L64 WeakPolarHBondContact O-CB 3.45Å; F60-L64 PolarHBondContact O-N 3.49Å; M61-L64 WeakPolarHBondContact O-CB 3.42Å; M61-L64 PolarHBondContact O-N 2.89Å; L64-F66 PolarHBondContact O-N 3.15Å; L64-S67 WeakPolarHBondContact O-CA 3.44Å; L64-S67 WeakPolarHBondContact O-CB 3.42Å; L64-S67 PolarHBondContact O-N 3.12Å; L64-D68 PolarHBondContact O-N 2.65Å; L64-D68 VanDerWaalsContact O-OD2 3.06Å; L64-S108 WeakPolarHBondContact CD1-OG 3.27Å; L64-F111 HydrophobicContact CB-CB 4.17Å; L64-F111 HydrophobicContact CB-CD2 4.41Å; L64-F111 HydrophobicContact CB-CG 4.49Å; L64-F111 HydrophobicContact CD1-CB 4.31Å; L64-F111 HydrophobicContact CD1-CD2 4.5Å; L64-L112 HydrophobicContact CD2-CD2 4.1Å; L64-L112 HydrophobicContact CD2-CG 4.32Å; L64-Y294 HydrophobicContact CD2-CE1 4.17Å
65A94.9Very high93.7Very high0 Ų024.9 Ų24.90%012%0.123CC..Hα-helixtrans-58-34.9178.200000112.8L44 M61 L69 Y294L44-A65 HydrophobicContact CD2-CB 3.72Å; L44-A65 HydrophobicContact CG-CB 3.85Å; M61-A65 WeakPolarHBondContact O-CB 3.28Å; M61-A65 PolarHBondContact O-N 2.72Å; A65-L69 WeakPolarHBondContact O-CG 3.2Å; A65-L69 PolarHBondContact O-N 3.39Å; A65-L69 VanDerWaalsContact O-N 3.09Å; A65-Y294 WeakPolarHBondContact CA-OH 3.28Å; A65-Y294 HydrophobicContact CB-CE2 4.24Å; A65-Y294 WeakPolarHBondContact CB-OH 3.36Å; A65-Y294 PolarHBondContact N-OH 3.16Å
66F95.6Very high94.4Very high107 Ų10724.7 Ų24.747%0.46913%0.125SC..Hα-helixtrans-66.8-44.1174.3-178.3-102.7000112.1T62 N63 L64 D68 L69 V70 W146T62-F66 WeakPolarHBondContact O-CB 3.45Å; T62-F66 PolarHBondContact O-N 2.88Å; N63-F66 PolarHBondContact O-N 3.41Å; L64-F66 PolarHBondContact O-N 3.15Å; F66-D68 VanDerWaalsContact C-N 3.33Å; F66-D68 PolarHBondContact O-N 3.24Å; F66-L69 PolarHBondContact O-N 2.88Å; F66-V70 HydrophobicContact CD1-CG2 4.33Å; F66-V70 HydrophobicContact CE1-CG2 3.94Å; F66-V70 HydrophobicContact CZ-CG2 4.04Å; F66-V70 WeakPolarHBondContact O-CG2 3.49Å; F66-V70 PolarHBondContact O-N 3.47Å; F66-W146 AromaticContact CD1-CH2 3.8Å; F66-W146 HydrophobicContact CD1-CH2 3.8Å; F66-W146 AromaticContact CD1-CZ2 3.65Å; F66-W146 HydrophobicContact CD1-CZ2 3.65Å; F66-W146 HydrophobicContact CE1-CH2 4.19Å; F66-W146 HydrophobicContact CE1-CZ2 4.29Å
67S96Very high94.8Very high1 Ų126.6 Ų26.61%0.00713%0.133CC..Hα-helixtrans-61.2-40.7175-1690000112.1N63 L64 V70 F71N63-S67 WeakPolarHBondContact O-CB 3.36Å; N63-S67 PolarHBondContact O-N 3.39Å; L64-S67 WeakPolarHBondContact O-CA 3.44Å; L64-S67 WeakPolarHBondContact O-CB 3.42Å; L64-S67 PolarHBondContact O-N 3.12Å; S67-V70 PolarHBondContact O-N 3.25Å; S67-F71 PolarHBondContact O-N 2.95Å; S67-F71 VanDerWaalsContact O-N 3.15Å
68D96.1Very high95.2Very high0 Ų028 Ų280%014%0.139CC..Hα-helixtrans-60.8-44.9175-63.8-44.2000112N40 L64 F66 F71 V72 N104 C287 D290N40-D68 HydrophobicContact CB-CB 4.49Å; L64-D68 PolarHBondContact O-N 2.65Å; L64-D68 VanDerWaalsContact O-OD2 3.06Å; F66-D68 VanDerWaalsContact C-N 3.33Å; F66-D68 PolarHBondContact O-N 3.24Å; D68-F71 PolarHBondContact O-N 3.24Å; D68-V72 WeakPolarHBondContact O-CB 3.43Å; D68-V72 VanDerWaalsContact O-CG2 3.23Å; D68-V72 WeakPolarHBondContact O-CG2 3.09Å; D68-V72 PolarHBondContact O-N 3.32Å; D68-N104 WeakPolarHBondContact CA-ND2 3.4Å; D68-N104 PolarHBondContact OD1-ND2 2.93Å; D68-C287 HydrophobicContact CB-CB 4.07Å; D68-C287 PolarHBondContact OD1-SG 3.14Å; D68-D290 VanDerWaalsContact OD2-OD2 3.04Å
69L96.2Very high95.6Very high14 Ų1429 Ų297%0.07315%0.145CC..Hα-helixtrans-63-43.9176.5-74.3-177.9000112.5L37 N40 L44 A65 F66 F71 V72 F73L37-L69 HydrophobicContact CD1-CD2 3.98Å; N40-L69 HydrophobicContact CB-CD2 3.71Å; N40-L69 HydrophobicContact CB-CG 3.8Å; L44-L69 HydrophobicContact CD1-CD1 3.37Å; L44-L69 HydrophobicContact CD1-CG 4.47Å; L44-L69 HydrophobicContact CG-CD1 4.34Å; A65-L69 WeakPolarHBondContact O-CG 3.2Å; A65-L69 PolarHBondContact O-N 3.39Å; A65-L69 VanDerWaalsContact O-N 3.09Å; F66-L69 PolarHBondContact O-N 2.88Å; L69-F71 PolarHBondContact O-N 3.41Å; L69-V72 PolarHBondContact O-N 3.23Å; L69-F73 HydrophobicContact CB-CD2 4.37Å; L69-F73 HydrophobicContact CB-CE2 4.18Å; L69-F73 WeakPolarHBondContact O-CD2 3.3Å; L69-F73 PolarHBondContact O-N 2.81Å
70V96.1Very high95.8Very high54 Ų5430.8 Ų30.833%0.32715%0.152SC..Hα-helixtrans-55.5-43.9177.4170.10000110.6F66 S67 A100F66-V70 HydrophobicContact CD1-CG2 4.33Å; F66-V70 HydrophobicContact CE1-CG2 3.94Å; F66-V70 HydrophobicContact CZ-CG2 4.04Å; F66-V70 WeakPolarHBondContact O-CG2 3.49Å; F66-V70 PolarHBondContact O-N 3.47Å; S67-V70 PolarHBondContact O-N 3.25Å; V70-A100 HydrophobicContact CG1-CB 4.15Å
71F96.8Very high95.8Very high4 Ų430.3 Ų30.32%0.01815%0.15CC..Hα-helixtrans-68.5-47.8175.6164.6-117.4000113.1V32 S67 D68 L69 F73 T74 L75 F101 N104 C287V32-F71 HydrophobicContact CG1-CE1 4.4Å; S67-F71 PolarHBondContact O-N 2.95Å; S67-F71 VanDerWaalsContact O-N 3.15Å; D68-F71 PolarHBondContact O-N 3.24Å; L69-F71 PolarHBondContact O-N 3.41Å; F71-F73 VanDerWaalsContact C-N 3.25Å; F71-F73 PolarHBondContact O-N 3.45Å; F71-T74 WeakPolarHBondContact O-CA 3.42Å; F71-T74 WeakPolarHBondContact O-CB 3.42Å; F71-T74 PolarHBondContact O-N 3.05Å; F71-T74 PolarHBondContact O-OG1 3.4Å; F71-L75 HydrophobicContact CD2-CD2 4.36Å; F71-L75 HydrophobicContact CE1-CD1 4.22Å; F71-L75 HydrophobicContact CE1-CD2 4.18Å; F71-L75 HydrophobicContact CE1-CG 4.45Å; F71-L75 HydrophobicContact CE2-CD2 3.53Å; F71-L75 HydrophobicContact CE2-CG 4.28Å; F71-L75 HydrophobicContact CZ-CD1 4.32Å; F71-L75 HydrophobicContact CZ-CD2 3.46Å; F71-L75 VanDerWaalsContact CZ-CD2 3.46Å; F71-L75 HydrophobicContact CZ-CG 4.18Å; F71-L75 PolarHBondContact O-N 2.88Å; F71-F101 HydrophobicContact CD2-CB 4.22Å; F71-F101 HydrophobicContact CD2-CD2 4.24Å; F71-F101 HydrophobicContact CE2-CB 4.17Å; F71-F101 AromaticContact CE2-CD2 3.55Å; F71-F101 HydrophobicContact CE2-CD2 3.55Å; F71-F101 HydrophobicContact CE2-CE2 4.47Å; F71-F101 HydrophobicContact CE2-CG 4.36Å; F71-F101 AromaticContact CZ-CD2 3.95Å; F71-F101 HydrophobicContact CZ-CD2 3.95Å; F71-F101 HydrophobicContact CZ-CE2 4.47Å; F71-N104 HydrophobicContact CB-CB 3.5Å; F71-N104 VanDerWaalsContact CB-CB 3.5Å; F71-N104 HydrophobicContact CD1-CB 4.25Å; F71-N104 HydrophobicContact CG-CB 3.87Å; F71-C287 VanDerWaalsContact CD1-SG 3.59Å
72V97.1Very high95.9Very high0 Ų030.4 Ų30.40%015%0.15CC..Hα-helixtrans-55.1-40.4179.4162.20000111.5F33 L37 D68 L69 T74 L75 P76F33-V72 HydrophobicContact CD2-CG1 3.78Å; F33-V72 WeakPolarHBondContact CD2-O 3.23Å; F33-V72 HydrophobicContact CE2-CG1 4.33Å; L37-V72 HydrophobicContact CB-CG1 3.84Å; L37-V72 HydrophobicContact CD1-CG1 4.39Å; D68-V72 WeakPolarHBondContact O-CB 3.43Å; D68-V72 VanDerWaalsContact O-CG2 3.23Å; D68-V72 WeakPolarHBondContact O-CG2 3.09Å; D68-V72 PolarHBondContact O-N 3.32Å; L69-V72 PolarHBondContact O-N 3.23Å; V72-T74 PolarHBondContact O-N 3.34Å; V72-L75 HydrophobicContact CG2-CD1 4.38Å; V72-L75 WeakPolarHBondContact O-CB 3.19Å; V72-L75 PolarHBondContact O-N 3.37Å; V72-L75 VanDerWaalsContact O-N 3.08Å; V72-P76 WeakPolarHBondContact O-CD 3.14Å
73F96.9Very high96Very high116 Ų11633.6 Ų33.651%0.50917%0.169SC..THydrogen-bonded Turntrans-63.2-21.2176.1-79.4-61.3000114.1L37 L69 F71L37-F73 HydrophobicContact CD1-CE1 3.97Å; L37-F73 HydrophobicContact CD1-CE2 4.48Å; L37-F73 HydrophobicContact CD1-CZ 3.82Å; L69-F73 HydrophobicContact CB-CD2 4.37Å; L69-F73 HydrophobicContact CB-CE2 4.18Å; L69-F73 WeakPolarHBondContact O-CD2 3.3Å; L69-F73 PolarHBondContact O-N 2.81Å; F71-F73 VanDerWaalsContact C-N 3.25Å; F71-F73 PolarHBondContact O-N 3.45Å
74T96.7Very high95.9Very high11 Ų1136.1 Ų36.17%0.06718%0.183CC..THydrogen-bonded Turntrans-86.2-16.4175.9730000113.6F71 V72 F77 K78 A100F71-T74 WeakPolarHBondContact O-CA 3.42Å; F71-T74 WeakPolarHBondContact O-CB 3.42Å; F71-T74 PolarHBondContact O-N 3.05Å; F71-T74 PolarHBondContact O-OG1 3.4Å; V72-T74 PolarHBondContact O-N 3.34Å; T74-F77 PolarHBondContact O-N 3.35Å; T74-K78 PolarHBondContact O-N 2.99Å; T74-A100 HydrophobicContact CG2-CB 3.7Å
75L96.9Very high95.7Very high0 Ų042.4 Ų42.40%021%0.207CC..Hα-helixtrans-61.8-38.6-175.5-68.3-178.7000114.6Y29 V32 F33 F71 V72 F77 K78 V79Y29-L75 HydrophobicContact CD1-CD2 3.98Å; Y29-L75 HydrophobicContact CD2-CD2 4.15Å; Y29-L75 HydrophobicContact CE1-CD2 4.47Å; Y29-L75 HydrophobicContact CG-CD2 3.8Å; V32-L75 HydrophobicContact CB-CD1 3.9Å; V32-L75 HydrophobicContact CG1-CD1 3.55Å; F33-L75 HydrophobicContact CB-CB 4.17Å; F33-L75 HydrophobicContact CB-CD1 4.23Å; F71-L75 HydrophobicContact CD2-CD2 4.36Å; F71-L75 HydrophobicContact CE1-CD1 4.22Å; F71-L75 HydrophobicContact CE1-CD2 4.18Å; F71-L75 HydrophobicContact CE1-CG 4.45Å; F71-L75 HydrophobicContact CE2-CD2 3.53Å; F71-L75 HydrophobicContact CE2-CG 4.28Å; F71-L75 HydrophobicContact CZ-CD1 4.32Å; F71-L75 HydrophobicContact CZ-CD2 3.46Å; F71-L75 VanDerWaalsContact CZ-CD2 3.46Å; F71-L75 HydrophobicContact CZ-CG 4.18Å; F71-L75 PolarHBondContact O-N 2.88Å; V72-L75 HydrophobicContact CG2-CD1 4.38Å; V72-L75 WeakPolarHBondContact O-CB 3.19Å; V72-L75 PolarHBondContact O-N 3.37Å; V72-L75 VanDerWaalsContact O-N 3.08Å; L75-F77 VanDerWaalsContact C-N 3.26Å; L75-F77 PolarHBondContact O-N 2.96Å; L75-K78 CarbonylContact O-C 3.59Å; L75-K78 WeakPolarHBondContact O-CA 3.43Å; L75-K78 WeakPolarHBondContact O-CB 3.49Å; L75-K78 PolarHBondContact O-N 3.45Å; L75-V79 WeakPolarHBondContact O-CG2 3.32Å; L75-V79 PolarHBondContact O-N 3.05Å
76P97.4Very high95.7Very high54 Ų5444.9 Ų44.935%0.35122%0.22SC..Hα-helixtrans-56.8-38.7177.6-28.236.7000113.3F33 V72 V79 F80F33-P76 HydrophobicContact CD2-CG 3.73Å; F33-P76 HydrophobicContact CE1-CG 4.38Å; F33-P76 HydrophobicContact CE2-CG 3.55Å; F33-P76 HydrophobicContact CG-CG 4.24Å; F33-P76 HydrophobicContact CZ-CG 3.9Å; V72-P76 WeakPolarHBondContact O-CD 3.14Å; P76-V79 PolarHBondContact O-N 3.41Å; P76-F80 PolarHBondContact O-N 3.29Å
77F96.8Very high95.6Very high72 Ų7239.9 Ų39.932%0.31620%0.198SC..Hα-helixtrans-66.2-39.5176-56.6-76.2000111.6T74 L75 F80 Y81 W87 F89 L93T74-F77 PolarHBondContact O-N 3.35Å; L75-F77 VanDerWaalsContact C-N 3.26Å; L75-F77 PolarHBondContact O-N 2.96Å; F77-F80 PolarHBondContact O-N 2.9Å; F77-Y81 WeakPolarHBondContact O-CB 3.43Å; F77-Y81 PolarHBondContact O-N 2.92Å; F77-W87 HydrophobicContact CB-CH2 3.67Å; F77-W87 HydrophobicContact CB-CZ3 4Å; F77-F89 HydrophobicContact CB-CD2 4.26Å; F77-F89 HydrophobicContact CB-CE2 4.08Å; F77-F89 AromaticContact CD1-CD1 3.91Å; F77-F89 HydrophobicContact CD1-CD1 3.91Å; F77-F89 HydrophobicContact CD1-CD2 4.08Å; F77-F89 AromaticContact CD1-CE1 3.78Å; F77-F89 HydrophobicContact CD1-CE1 3.78Å; F77-F89 AromaticContact CD1-CE2 3.96Å; F77-F89 HydrophobicContact CD1-CE2 3.96Å; F77-F89 HydrophobicContact CD1-CG 4.07Å; F77-F89 AromaticContact CD1-CZ 3.81Å; F77-F89 HydrophobicContact CD1-CZ 3.81Å; F77-F89 HydrophobicContact CE1-CD1 4.26Å; F77-F89 HydrophobicContact CE1-CE1 4.2Å; F77-L93 HydrophobicContact CB-CD2 4.41Å; F77-L93 HydrophobicContact CD1-CD2 3.44Å; F77-L93 VanDerWaalsContact CD1-CD2 3.44Å; F77-L93 HydrophobicContact CD2-CD2 4.1Å; F77-L93 HydrophobicContact CE1-CD2 3.57Å; F77-L93 HydrophobicContact CE2-CD2 4.21Å; F77-L93 HydrophobicContact CG-CD2 3.72Å; F77-L93 HydrophobicContact CZ-CD2 3.96Å
78K95.1Very high95.5Very high31 Ų3143.4 Ų43.414%0.13522%0.22CC..Hα-helixtrans-67-39.8174-74.2-71.2-174.21780111.9Y29 T74 L75 Y81 N82 W87 S97Y29-K78 HydrophobicContact CD2-CB 3.94Å; Y29-K78 HydrophobicContact CE2-CB 4.18Å; T74-K78 PolarHBondContact O-N 2.99Å; L75-K78 CarbonylContact O-C 3.59Å; L75-K78 WeakPolarHBondContact O-CA 3.43Å; L75-K78 WeakPolarHBondContact O-CB 3.49Å; L75-K78 PolarHBondContact O-N 3.45Å; K78-Y81 WeakPolarHBondContact O-CB 3.33Å; K78-Y81 PolarHBondContact O-N 3.31Å; K78-N82 WeakPolarHBondContact O-CB 3.19Å; K78-N82 PolarHBondContact O-N 3.16Å; K78-N82 PolarHBondContact O-ND2 3.2Å; K78-W87 HydrophobicContact CD-CZ3 4.27Å; K78-S97 WeakPolarHBondContact CE-OG 3.43Å; K78-S97 WeakPolarHBondContact CG-OG 3.5Å
79V97.3Very high95.4Very high23 Ų2346.8 Ų46.814%0.13924%0.235CC..Hα-helixtrans-61.1-48.5174.6172.10000110L75 P76 Y81 N82 V83L75-V79 WeakPolarHBondContact O-CG2 3.32Å; L75-V79 PolarHBondContact O-N 3.05Å; P76-V79 PolarHBondContact O-N 3.41Å; V79-Y81 VanDerWaalsContact C-N 3.3Å; V79-Y81 PolarHBondContact O-N 3.18Å; V79-N82 PolarHBondContact O-N 3.18Å; V79-V83 HydrophobicContact CG1-CG2 4.45Å; V79-V83 WeakPolarHBondContact O-CG2 3.23Å; V79-V83 PolarHBondContact O-N 3.46Å
80F97.1Very high95.3Very high87 Ų8747.7 Ų47.738%0.38225%0.248SC..Hα-helixtrans-55.6-46.5176.1-177.5-81.7000111.8P76 F77 V83 N84 P88 F89P76-F80 PolarHBondContact O-N 3.29Å; F77-F80 PolarHBondContact O-N 2.9Å; F80-V83 PolarHBondContact O-N 3.04Å; F80-N84 WeakPolarHBondContact CD2-ND2 3.24Å; F80-N84 HydrophobicContact CE1-CB 4.13Å; F80-N84 WeakPolarHBondContact CE2-ND2 3.4Å; F80-N84 HydrophobicContact CZ-CB 4.45Å; F80-N84 WeakPolarHBondContact CZ-ND2 3.41Å; F80-N84 WeakPolarHBondContact O-CB 3.21Å; F80-N84 PolarHBondContact O-N 2.81Å; F80-N84 PolarHBondContact O-ND2 2.99Å; F80-P88 HydrophobicContact CD1-CG 4.26Å; F80-P88 HydrophobicContact CE1-CG 3.62Å; F80-P88 HydrophobicContact CZ-CG 4.33Å; F80-F89 HydrophobicContact CB-CE2 4.24Å; F80-F89 HydrophobicContact CB-CZ 4.11Å; F80-F89 AromaticContact CD1-CE2 3.7Å; F80-F89 HydrophobicContact CD1-CE2 3.7Å; F80-F89 AromaticContact CD1-CZ 3.61Å; F80-F89 HydrophobicContact CD1-CZ 3.61Å; F80-F89 HydrophobicContact CD2-CZ 4.5Å; F80-F89 HydrophobicContact CE1-CE2 4.44Å; F80-F89 HydrophobicContact CE1-CZ 4.19Å; F80-F89 HydrophobicContact CG-CE2 4.16Å; F80-F89 AromaticContact CG-CZ 3.81Å; F80-F89 HydrophobicContact CG-CZ 3.81Å
81Y95.1Very high95.1Very high3 Ų346.8 Ų46.81%0.01224%0.242CC..Hα-helixtrans-59.4-46177.2167.4-110.8000112.9F77 K78 V79 V83 R85 W87 E173F77-Y81 WeakPolarHBondContact O-CB 3.43Å; F77-Y81 PolarHBondContact O-N 2.92Å; K78-Y81 WeakPolarHBondContact O-CB 3.33Å; K78-Y81 PolarHBondContact O-N 3.31Å; V79-Y81 VanDerWaalsContact C-N 3.3Å; V79-Y81 PolarHBondContact O-N 3.18Å; Y81-V83 PolarHBondContact O-N 3.33Å; Y81-R85 VanDerWaalsContact O-CA 3.23Å; Y81-R85 WeakPolarHBondContact O-CA 3.41Å; Y81-R85 PolarHBondContact O-N 3.03Å; Y81-W87 HydrophobicContact CD2-CB 3.75Å; Y81-W87 HydrophobicContact CD2-CE3 4.19Å; Y81-W87 HydrophobicContact CE2-CB 4.18Å; Y81-W87 AromaticContact CG-CE3 3.92Å; Y81-W87 HydrophobicContact CG-CE3 3.92Å; Y81-E173 WeakPolarHBondContact CE1-OE1 3.5Å; Y81-E173 PolarHBondContact OH-OE1 2.7Å
82N93.6Very high95Very high4 Ų449 Ų492%0.02127%0.265CS..Hα-helixtrans-68.8-33.3-177.8-76.4-62.7000112.8Y25 K78 V79Y25-N82 WeakPolarHBondContact CB-ND2 3.22Å; Y25-N82 WeakPolarHBondContact CD2-OD1 3.48Å; K78-N82 WeakPolarHBondContact O-CB 3.19Å; K78-N82 PolarHBondContact O-N 3.16Å; K78-N82 PolarHBondContact O-ND2 3.2Å; V79-N82 PolarHBondContact O-N 3.18Å
83V95.1Very high94.9Very high90 Ų9051.3 Ų51.355%0.54528%0.277SS..Hα-helixtrans-73.2-48.7175.9173.70000111.3S26 V79 F80 Y81S26-V83 VanDerWaalsContact OG-CG2 3.24Å; S26-V83 WeakPolarHBondContact OG-CG2 3.4Å; V79-V83 HydrophobicContact CG1-CG2 4.45Å; V79-V83 WeakPolarHBondContact O-CG2 3.23Å; V79-V83 PolarHBondContact O-N 3.46Å; F80-V83 PolarHBondContact O-N 3.04Å; Y81-V83 PolarHBondContact O-N 3.33Å
84N93.4Very high94.8Very high87 Ų8745.8 Ų45.847%0.46525%0.253SS..Hα-helixtrans-88.5-6.4-172.6-63.7-74.6000113.6F80 N86F80-N84 WeakPolarHBondContact CD2-ND2 3.24Å; F80-N84 HydrophobicContact CE1-CB 4.13Å; F80-N84 WeakPolarHBondContact CE2-ND2 3.4Å; F80-N84 HydrophobicContact CZ-CB 4.45Å; F80-N84 WeakPolarHBondContact CZ-ND2 3.41Å; F80-N84 WeakPolarHBondContact O-CB 3.21Å; F80-N84 PolarHBondContact O-N 2.81Å; F80-N84 PolarHBondContact O-ND2 2.99Å; N84-N86 PolarHBondContact O-N 2.95Å; N84-N86 VanDerWaalsContact O-N 3.09Å
85R90.7Very high94.7Very high133 Ų13347.9 Ų47.950%0.50226%0.261SS..THydrogen-bonded Turntrans51.230-173.6-56-171.9179.5-165.4-0.1113.1Y81Y81-R85 VanDerWaalsContact O-CA 3.23Å; Y81-R85 WeakPolarHBondContact O-CA 3.41Å; Y81-R85 PolarHBondContact O-N 3.03Å
86N93.1Very high94.6Very high51 Ų5151.9 Ų51.927%0.27329%0.285SS..  trans-149.4134.9-176.3-175.347.7000110.9N84 P88 T169N84-N86 PolarHBondContact O-N 2.95Å; N84-N86 VanDerWaalsContact O-N 3.09Å; N86-P88 WeakPolarHBondContact O-CD 3.29Å; N86-T169 PolarHBondContact OD1-N 3.02Å
87W93.9Very high94.4Very high3 Ų349.3 Ų49.31%0.01127%0.269CS..  trans-105.893178.5-176.8-89.1000110.6F77 K78 Y81 F89 G90 L93 C94 T169 C171F77-W87 HydrophobicContact CB-CH2 3.67Å; F77-W87 HydrophobicContact CB-CZ3 4Å; K78-W87 HydrophobicContact CD-CZ3 4.27Å; Y81-W87 HydrophobicContact CD2-CB 3.75Å; Y81-W87 HydrophobicContact CD2-CE3 4.19Å; Y81-W87 HydrophobicContact CE2-CB 4.18Å; Y81-W87 AromaticContact CG-CE3 3.92Å; Y81-W87 HydrophobicContact CG-CE3 3.92Å; W87-F89 VanDerWaalsContact C-N 3.32Å; W87-F89 AromaticContact CD2-CD2 3.88Å; W87-F89 HydrophobicContact CD2-CD2 3.88Å; W87-F89 AromaticContact CE2-CD2 3.78Å; W87-F89 HydrophobicContact CE3-CD2 4.06Å; W87-F89 HydrophobicContact CG-CD2 4.47Å; W87-F89 AromaticContact CH2-CD2 3.99Å; W87-F89 HydrophobicContact CH2-CD2 3.99Å; W87-F89 HydrophobicContact CZ2-CB 3.91Å; W87-F89 AromaticContact CZ2-CD2 3.84Å; W87-F89 HydrophobicContact CZ2-CD2 3.84Å; W87-F89 HydrophobicContact CZ2-CG 4.32Å; W87-F89 HydrophobicContact CZ3-CD2 4.1Å; W87-F89 PolarHBondContact O-N 2.94Å; W87-G90 PolarHBondContact NE1-O 3.37Å; W87-L93 HydrophobicContact CH2-CG 4.5Å; W87-L93 HydrophobicContact CZ2-CB 3.98Å; W87-L93 HydrophobicContact CZ2-CD2 4.18Å; W87-L93 HydrophobicContact CZ2-CG 3.98Å; W87-C94 HydrophobicContact CZ2-CB 4.12Å; W87-T169 HydrophobicContact CB-CG2 4.4Å; W87-T169 WeakPolarHBondContact CB-O 3.29Å; W87-T169 PolarHBondContact N-O 3.43Å; W87-C171 HydrophobicContact CB-CB 3.88Å; W87-C171 HydrophobicContact CD2-CB 3.48Å; W87-C171 VanDerWaalsContact CD2-CB 3.48Å; W87-C171 HydrophobicContact CE3-CB 3.65Å; W87-C171 HydrophobicContact CG-CB 3.54Å; W87-C171 HydrophobicContact CZ3-CB 4.48Å
88P94.4Very high94.2Very high74 Ų7446.1 Ų46.148%0.48126%0.256SS..THydrogen-bonded Turntrans-82.7-6.1-178.434.3-38000113.9F80 N86 G90F80-P88 HydrophobicContact CD1-CG 4.26Å; F80-P88 HydrophobicContact CE1-CG 3.62Å; F80-P88 HydrophobicContact CZ-CG 4.33Å; N86-P88 WeakPolarHBondContact O-CD 3.29Å; P88-G90 VanDerWaalsContact C-N 3.3Å; P88-G90 PolarHBondContact O-N 3.2Å
89F94.3Very high94.2Very high71 Ų7145.6 Ų45.631%0.31126%0.256SS..THydrogen-bonded Turntrans-85.75.3-167.3-47-73.9000115F77 F80 W87 L93F77-F89 HydrophobicContact CB-CD2 4.26Å; F77-F89 HydrophobicContact CB-CE2 4.08Å; F77-F89 AromaticContact CD1-CD1 3.91Å; F77-F89 HydrophobicContact CD1-CD1 3.91Å; F77-F89 HydrophobicContact CD1-CD2 4.08Å; F77-F89 AromaticContact CD1-CE1 3.78Å; F77-F89 HydrophobicContact CD1-CE1 3.78Å; F77-F89 AromaticContact CD1-CE2 3.96Å; F77-F89 HydrophobicContact CD1-CE2 3.96Å; F77-F89 HydrophobicContact CD1-CG 4.07Å; F77-F89 AromaticContact CD1-CZ 3.81Å; F77-F89 HydrophobicContact CD1-CZ 3.81Å; F77-F89 HydrophobicContact CE1-CD1 4.26Å; F77-F89 HydrophobicContact CE1-CE1 4.2Å; F80-F89 HydrophobicContact CB-CE2 4.24Å; F80-F89 HydrophobicContact CB-CZ 4.11Å; F80-F89 AromaticContact CD1-CE2 3.7Å; F80-F89 HydrophobicContact CD1-CE2 3.7Å; F80-F89 AromaticContact CD1-CZ 3.61Å; F80-F89 HydrophobicContact CD1-CZ 3.61Å; F80-F89 HydrophobicContact CD2-CZ 4.5Å; F80-F89 HydrophobicContact CE1-CE2 4.44Å; F80-F89 HydrophobicContact CE1-CZ 4.19Å; F80-F89 HydrophobicContact CG-CE2 4.16Å; F80-F89 AromaticContact CG-CZ 3.81Å; F80-F89 HydrophobicContact CG-CZ 3.81Å; W87-F89 VanDerWaalsContact C-N 3.32Å; W87-F89 AromaticContact CD2-CD2 3.88Å; W87-F89 HydrophobicContact CD2-CD2 3.88Å; W87-F89 AromaticContact CE2-CD2 3.78Å; W87-F89 HydrophobicContact CE3-CD2 4.06Å; W87-F89 HydrophobicContact CG-CD2 4.47Å; W87-F89 AromaticContact CH2-CD2 3.99Å; W87-F89 HydrophobicContact CH2-CD2 3.99Å; W87-F89 HydrophobicContact CZ2-CB 3.91Å; W87-F89 AromaticContact CZ2-CD2 3.84Å; W87-F89 HydrophobicContact CZ2-CD2 3.84Å; W87-F89 HydrophobicContact CZ2-CG 4.32Å; W87-F89 HydrophobicContact CZ3-CD2 4.1Å; W87-F89 PolarHBondContact O-N 2.94Å; F89-L93 HydrophobicContact CB-CB 4.03Å; F89-L93 HydrophobicContact CB-CD2 3.46Å; F89-L93 VanDerWaalsContact CB-CD2 3.46Å; F89-L93 HydrophobicContact CB-CG 4.3Å; F89-L93 HydrophobicContact CD1-CD2 4.27Å; F89-L93 HydrophobicContact CD2-CD2 4.44Å; F89-L93 HydrophobicContact CG-CD2 3.83Å
90G93.4Very high94.1Very high34 Ų3444.8 Ų44.835%0.35125%0.251SS..Hα-helixtrans76.4170.1179.900000115.2W87 P88 G92 C94W87-G90 PolarHBondContact NE1-O 3.37Å; P88-G90 VanDerWaalsContact C-N 3.3Å; P88-G90 PolarHBondContact O-N 3.2Å; G90-G92 PolarHBondContact O-N 3.14Å; G90-C94 PolarHBondContact O-N 3.23Å
91D92.6Very high93.9Very high35 Ų3542 Ų4219%0.18724%0.239CC..Hα-helixtrans-65.4-35.9-176.2-173.756.9000112.7L93 C94 K95 T161 I162D91-L93 PolarHBondContact O-N 3.34Å; D91-C94 WeakPolarHBondContact O-CB 3.18Å; D91-C94 PolarHBondContact O-N 2.83Å; D91-K95 WeakPolarHBondContact O-CG 3.35Å; D91-K95 PolarHBondContact O-N 2.86Å; D91-K95 WeakPolarHBondContact OD2-CE 3.37Å; D91-K95 IonicContact OD2-NZ 2.77Å; D91-K95 PolarHBondContact OD2-NZ 3.37Å; D91-T161 PolarHBondContact OD1-N 3.4Å; D91-T161 PolarHBondContact OD1-OG1 2.92Å; D91-I162 HydrophobicContact CB-CD1 3.85Å; D91-I162 HydrophobicContact CB-CG1 3.95Å; D91-I162 HydrophobicContact CB-CG2 4.27Å; D91-I162 PolarHBondContact OD1-N 3.49Å
92G94.2Very high93.7Very high49 Ų4942.9 Ų42.951%0.50524%0.244SC..Hα-helixtrans-58.7-50.1-179.500000112.7G90 C94 K95 V96G90-G92 PolarHBondContact O-N 3.14Å; G92-C94 VanDerWaalsContact C-N 3.31Å; G92-C94 PolarHBondContact O-N 2.99Å; G92-K95 PolarHBondContact O-N 3.17Å; G92-V96 WeakPolarHBondContact O-CG2 3.43Å; G92-V96 PolarHBondContact O-N 3.33Å
93L94.8Very high93.7Very high49 Ų4942.9 Ų42.926%0.25724%0.244SC..Hα-helixtrans-70.7-29.9178.2-165.666.6000112F77 W87 F89 D91 V96 S97F77-L93 HydrophobicContact CB-CD2 4.41Å; F77-L93 HydrophobicContact CD1-CD2 3.44Å; F77-L93 VanDerWaalsContact CD1-CD2 3.44Å; F77-L93 HydrophobicContact CD2-CD2 4.1Å; F77-L93 HydrophobicContact CE1-CD2 3.57Å; F77-L93 HydrophobicContact CE2-CD2 4.21Å; F77-L93 HydrophobicContact CG-CD2 3.72Å; F77-L93 HydrophobicContact CZ-CD2 3.96Å; W87-L93 HydrophobicContact CH2-CG 4.5Å; W87-L93 HydrophobicContact CZ2-CB 3.98Å; W87-L93 HydrophobicContact CZ2-CD2 4.18Å; W87-L93 HydrophobicContact CZ2-CG 3.98Å; F89-L93 HydrophobicContact CB-CB 4.03Å; F89-L93 HydrophobicContact CB-CD2 3.46Å; F89-L93 VanDerWaalsContact CB-CD2 3.46Å; F89-L93 HydrophobicContact CB-CG 4.3Å; F89-L93 HydrophobicContact CD1-CD2 4.27Å; F89-L93 HydrophobicContact CD2-CD2 4.44Å; F89-L93 HydrophobicContact CG-CD2 3.83Å; D91-L93 PolarHBondContact O-N 3.34Å; L93-V96 HydrophobicContact CD1-CB 4.46Å; L93-V96 PolarHBondContact O-N 2.87Å; L93-S97 WeakPolarHBondContact O-CB 3.47Å; L93-S97 PolarHBondContact O-N 2.84Å
94C94.4Very high93.7Very high0 Ų038.7 Ų38.70%022%0.218CC..Hα-helixtrans-62.4-46.7173.7-175.80000110.9W87 G90 D91 G92 S97 G98 T161 I162 C171 F172W87-C94 HydrophobicContact CZ2-CB 4.12Å; G90-C94 PolarHBondContact O-N 3.23Å; D91-C94 WeakPolarHBondContact O-CB 3.18Å; D91-C94 PolarHBondContact O-N 2.83Å; G92-C94 VanDerWaalsContact C-N 3.31Å; G92-C94 PolarHBondContact O-N 2.99Å; C94-S97 PolarHBondContact O-N 2.95Å; C94-G98 PolarHBondContact O-N 2.8Å; C94-T161 WeakPolarHBondContact CB-OG1 3.46Å; C94-T161 PolarHBondContact SG-OG1 2.86Å; C94-I162 HydrophobicContact CB-CG2 3.83Å; C94-C171 WeakPolarHBondContact CA-SG 3.35Å; C94-C171 HydrophobicContact CB-CB 3.98Å; C94-C171 WeakPolarHBondContact CB-SG 3.36Å; C94-C171 WeakPolarHBondContact SG-CA 3.26Å; C94-C171 WeakPolarHBondContact SG-CB 3.22Å; C94-C171 CovalentContact SG-SG 2.03Å; C94-C171 PolarHBondContact SG-SG 2.88Å; C94-F172 VanDerWaalsContact O-CE2 3.32Å; C94-F172 WeakPolarHBondContact O-CE2 3.39Å
95K94.4Very high93.7Very high55 Ų5534.6 Ų34.624%0.23920%0.196CC..Hα-helixtrans-59.1-49173.3-72.7175.2170.1162.80111.8D91 G92 S97 G98 T99 T157 F159 T161D91-K95 WeakPolarHBondContact O-CG 3.35Å; D91-K95 PolarHBondContact O-N 2.86Å; D91-K95 WeakPolarHBondContact OD2-CE 3.37Å; D91-K95 IonicContact OD2-NZ 2.77Å; D91-K95 PolarHBondContact OD2-NZ 3.37Å; G92-K95 PolarHBondContact O-N 3.17Å; K95-S97 VanDerWaalsContact C-N 3.32Å; K95-S97 PolarHBondContact O-N 3.46Å; K95-G98 PolarHBondContact O-N 2.71Å; K95-T99 WeakPolarHBondContact O-CB 3.34Å; K95-T99 PolarHBondContact O-N 2.95Å; K95-T99 PolarHBondContact O-OG1 3.01Å; K95-T157 WeakPolarHBondContact CD-O 3.38Å; K95-T157 WeakPolarHBondContact CE-O 3.12Å; K95-T157 WeakPolarHBondContact CG-O 3.4Å; K95-F159 WeakPolarHBondContact CE-O 3.04Å; K95-T161 HydrophobicContact CG-CG2 3.69Å; K95-T161 WeakPolarHBondContact CG-OG1 3.44Å
96V94.9Very high93.8Very high84 Ų8429.1 Ų29.151%0.50918%0.176SC..Hα-helixtrans-57.2-46.1177.3170.10000111.2G92 L93 T99 A100G92-V96 WeakPolarHBondContact O-CG2 3.43Å; G92-V96 PolarHBondContact O-N 3.33Å; L93-V96 HydrophobicContact CD1-CB 4.46Å; L93-V96 PolarHBondContact O-N 2.87Å; V96-T99 PolarHBondContact O-N 2.65Å; V96-A100 VanDerWaalsContact O-CB 3.25Å; V96-A100 WeakPolarHBondContact O-CB 3.31Å; V96-A100 PolarHBondContact O-N 3.33Å
97S94.8Very high93.9Very high1 Ų126.7 Ų26.71%0.00716%0.163CC..Hα-helixtrans-64-42.3178.4-178.90000112.4K78 L93 C94 K95 F101K78-S97 WeakPolarHBondContact CE-OG 3.43Å; K78-S97 WeakPolarHBondContact CG-OG 3.5Å; L93-S97 WeakPolarHBondContact O-CB 3.47Å; L93-S97 PolarHBondContact O-N 2.84Å; C94-S97 PolarHBondContact O-N 2.95Å; K95-S97 VanDerWaalsContact C-N 3.32Å; K95-S97 PolarHBondContact O-N 3.46Å; S97-F101 WeakPolarHBondContact O-CB 3.39Å; S97-F101 PolarHBondContact O-N 3.32Å
98G92.2Very high93.9Very high5 Ų526.6 Ų26.65%0.05216%0.163CC..Hα-helixtrans-64.8-45.5175.100000112.9C94 K95 A100 F101 I102C94-G98 PolarHBondContact O-N 2.8Å; K95-G98 PolarHBondContact O-N 2.71Å; G98-A100 PolarHBondContact O-N 3.05Å; G98-F101 PolarHBondContact O-N 3.25Å; G98-I102 WeakPolarHBondContact O-CG1 3.41Å; G98-I102 PolarHBondContact O-N 3.21Å
99T94.1Very high93.9Very high20 Ų2023 Ų2312%0.12314%0.14CC..Hα-helixtrans-61.7-43.7176.3-61.40000111.1K95 V96 F101 I102 T103 I154 T157K95-T99 WeakPolarHBondContact O-CB 3.34Å; K95-T99 PolarHBondContact O-N 2.95Å; K95-T99 PolarHBondContact O-OG1 3.01Å; V96-T99 PolarHBondContact O-N 2.65Å; T99-F101 VanDerWaalsContact C-N 3.33Å; T99-F101 PolarHBondContact O-N 2.91Å; T99-I102 PolarHBondContact O-N 3.31Å; T99-T103 WeakPolarHBondContact O-CB 3.44Å; T99-T103 PolarHBondContact O-N 3.29Å; T99-T103 PolarHBondContact O-OG1 3.09Å; T99-I154 HydrophobicContact CG2-CG1 4.24Å; T99-T157 WeakPolarHBondContact OG1-CG2 3.38Å; T99-T157 PolarHBondContact OG1-OG1 3.45Å; T99-T157 VanDerWaalsContact OG1-OG1 3.11Å
100A95.4Very high93.9Very high5 Ų521.1 Ų21.14%0.04113%0.132CC..Hα-helixtrans-61.5-42177.300000111.6V70 T74 V96 G98 N104V70-A100 HydrophobicContact CG1-CB 4.15Å; T74-A100 HydrophobicContact CG2-CB 3.7Å; V96-A100 VanDerWaalsContact O-CB 3.25Å; V96-A100 WeakPolarHBondContact O-CB 3.31Å; V96-A100 PolarHBondContact O-N 3.33Å; G98-A100 PolarHBondContact O-N 3.05Å; A100-N104 VanDerWaalsContact O-CB 3.26Å; A100-N104 WeakPolarHBondContact O-CB 3.4Å; A100-N104 PolarHBondContact O-N 3.03Å
101F93.1Very high94Very high29 Ų2919.5 Ų19.513%0.12712%0.116CC..Hα-helixtrans-62.5-48.9175.8175-103.2000112.6F71 S97 G98 T99 N104 I105 Y248 L280F71-F101 HydrophobicContact CD2-CB 4.22Å; F71-F101 HydrophobicContact CD2-CD2 4.24Å; F71-F101 HydrophobicContact CE2-CB 4.17Å; F71-F101 AromaticContact CE2-CD2 3.55Å; F71-F101 HydrophobicContact CE2-CD2 3.55Å; F71-F101 HydrophobicContact CE2-CE2 4.47Å; F71-F101 HydrophobicContact CE2-CG 4.36Å; F71-F101 AromaticContact CZ-CD2 3.95Å; F71-F101 HydrophobicContact CZ-CD2 3.95Å; F71-F101 HydrophobicContact CZ-CE2 4.47Å; S97-F101 WeakPolarHBondContact O-CB 3.39Å; S97-F101 PolarHBondContact O-N 3.32Å; G98-F101 PolarHBondContact O-N 3.25Å; T99-F101 VanDerWaalsContact C-N 3.33Å; T99-F101 PolarHBondContact O-N 2.91Å; F101-N104 PolarHBondContact O-N 3.18Å; F101-I105 HydrophobicContact CD2-CD1 4.46Å; F101-I105 HydrophobicContact CE1-CD1 3.8Å; F101-I105 HydrophobicContact CE2-CD1 3.56Å; F101-I105 HydrophobicContact CE2-CG1 4.12Å; F101-I105 HydrophobicContact CZ-CD1 3.13Å; F101-I105 HydrophobicContact CZ-CG1 4.09Å; F101-I105 PolarHBondContact O-N 3.36Å; F101-Y248 WeakPolarHBondContact CE1-OH 3.4Å; F101-L280 HydrophobicContact CE1-CD1 3.79Å; F101-L280 HydrophobicContact CE2-CD1 4.06Å; F101-L280 HydrophobicContact CE2-CG 4.47Å; F101-L280 HydrophobicContact CZ-CD1 3.21Å; F101-L280 HydrophobicContact CZ-CG 4.05Å
102I91.3Very high93.9Very high21 Ų2117.9 Ų17.911%0.10811%0.107CC..Hα-helixtrans-63.1-46.3177.7-65.4168.7000110.3G98 T99 N104 I105 Y106 V156G98-I102 WeakPolarHBondContact O-CG1 3.41Å; G98-I102 PolarHBondContact O-N 3.21Å; T99-I102 PolarHBondContact O-N 3.31Å; I102-N104 VanDerWaalsContact C-N 3.26Å; I102-N104 PolarHBondContact O-N 3.42Å; I102-I105 PolarHBondContact O-N 2.91Å; I102-Y106 HydrophobicContact CG2-CD2 3.71Å; I102-Y106 HydrophobicContact CG2-CE2 4.08Å; I102-Y106 WeakPolarHBondContact O-CD2 3.43Å; I102-Y106 PolarHBondContact O-N 3.09Å; I102-V156 HydrophobicContact CD1-CB 3.65Å; I102-V156 HydrophobicContact CD1-CG1 3.62Å; I102-V156 HydrophobicContact CD1-CG2 4.05Å
103T93.2Very high93.9Very high5 Ų515.9 Ų15.93%0.0319%0.085CC..Hα-helixtrans-57.5-40.8177.1-66.10000111.2T99 G107 W146 I149 V150T99-T103 WeakPolarHBondContact O-CB 3.44Å; T99-T103 PolarHBondContact O-N 3.29Å; T99-T103 PolarHBondContact O-OG1 3.09Å; T103-G107 WeakPolarHBondContact O-CA 3.21Å; T103-G107 PolarHBondContact O-N 3.42Å; T103-W146 HydrophobicContact CG2-CE3 4.29Å; T103-W146 HydrophobicContact CG2-CH2 4.39Å; T103-W146 HydrophobicContact CG2-CZ3 3.6Å; T103-I149 HydrophobicContact CG2-CD1 3.75Å; T103-I149 HydrophobicContact CG2-CG1 3.91Å; T103-V150 HydrophobicContact CG2-CG2 4.29Å
104N94.8Very high93.9Very high1 Ų114.6 Ų14.61%0.0058%0.08CC..Hα-helixtrans-67.7-51.4178.3175.9-99.4000112.7D68 F71 A100 F101 I102 S108 C287D68-N104 WeakPolarHBondContact CA-ND2 3.4Å; D68-N104 PolarHBondContact OD1-ND2 2.93Å; F71-N104 HydrophobicContact CB-CB 3.5Å; F71-N104 VanDerWaalsContact CB-CB 3.5Å; F71-N104 HydrophobicContact CD1-CB 4.25Å; F71-N104 HydrophobicContact CG-CB 3.87Å; A100-N104 VanDerWaalsContact O-CB 3.26Å; A100-N104 WeakPolarHBondContact O-CB 3.4Å; A100-N104 PolarHBondContact O-N 3.03Å; F101-N104 PolarHBondContact O-N 3.18Å; I102-N104 VanDerWaalsContact C-N 3.26Å; I102-N104 PolarHBondContact O-N 3.42Å; N104-S108 WeakPolarHBondContact O-CB 3.49Å; N104-S108 PolarHBondContact O-N 3.27Å; N104-S108 PolarHBondContact O-OG 2.84Å; N104-C287 PolarHBondContact ND2-SG 2.8Å; N104-C287 PolarHBondContact OD1-SG 2.83Å; N104-C287 VanDerWaalsContact OD1-SG 3.4Å
105I93Very high93.8Very high1 Ų114.6 Ų14.61%0.0058%0.08CC..Hα-helixtrans-60.4-53.4-178.4-77-168.5000111.3F101 I102 S108 M109 F245 Y248 A283F101-I105 HydrophobicContact CD2-CD1 4.46Å; F101-I105 HydrophobicContact CE1-CD1 3.8Å; F101-I105 HydrophobicContact CE2-CD1 3.56Å; F101-I105 HydrophobicContact CE2-CG1 4.12Å; F101-I105 HydrophobicContact CZ-CD1 3.13Å; F101-I105 HydrophobicContact CZ-CG1 4.09Å; F101-I105 PolarHBondContact O-N 3.36Å; I102-I105 PolarHBondContact O-N 2.91Å; I105-S108 PolarHBondContact O-N 3.49Å; I105-M109 HydrophobicContact CG2-CE 3.26Å; I105-M109 PolarHBondContact O-N 3.3Å; I105-M109 VanDerWaalsContact O-N 3.15Å; I105-F245 HydrophobicContact CG2-CD1 4.39Å; I105-Y248 HydrophobicContact CD1-CD1 3.84Å; I105-Y248 HydrophobicContact CD1-CE1 3.5Å; I105-Y248 HydrophobicContact CG2-CD1 4.39Å; I105-Y248 HydrophobicContact CG2-CE1 4.16Å; I105-A283 HydrophobicContact CD1-CB 3.8Å
106Y93.8Very high93.6Very high19 Ų1912.3 Ų12.38%0.0757%0.071CC..Hα-helixtrans-76.1-32.3-176.4-70.1-76.3000112.2I102 M109 L110 I191 E192I102-Y106 HydrophobicContact CG2-CD2 3.71Å; I102-Y106 HydrophobicContact CG2-CE2 4.08Å; I102-Y106 WeakPolarHBondContact O-CD2 3.43Å; I102-Y106 PolarHBondContact O-N 3.09Å; Y106-M109 HydrophobicContact CD1-CE 4.17Å; Y106-M109 HydrophobicContact CE1-CE 4.29Å; Y106-M109 PolarHBondContact O-N 3.3Å; Y106-L110 WeakPolarHBondContact O-CB 3.5Å; Y106-L110 WeakPolarHBondContact O-CG 3.5Å; Y106-L110 PolarHBondContact O-N 2.85Å; Y106-I191 HydrophobicContact CD1-CG2 4.2Å; Y106-I191 HydrophobicContact CD2-CG2 4.25Å; Y106-I191 HydrophobicContact CE1-CG2 3.58Å; Y106-I191 HydrophobicContact CE2-CG2 3.67Å; Y106-I191 HydrophobicContact CG-CG2 4.49Å; Y106-I191 WeakPolarHBondContact OH-CG2 3.29Å; Y106-E192 PolarHBondContact OH-OE1 3.44Å
107G95.1Very high93.5Very high0 Ų010.7 Ų10.70%06%0.061CC..Hα-helixtrans-61.5-44.7171.400000111.5T103 L110 F111T103-G107 WeakPolarHBondContact O-CA 3.21Å; T103-G107 PolarHBondContact O-N 3.42Å; G107-L110 PolarHBondContact O-N 3.43Å; G107-F111 WeakPolarHBondContact O-CB 3.4Å; G107-F111 WeakPolarHBondContact O-CD2 3.49Å; G107-F111 WeakPolarHBondContact O-CG 3.45Å; G107-F111 PolarHBondContact O-N 3.44Å
108S94.4Very high93.3Very high0 Ų011 Ų110%06%0.063CC..Hα-helixtrans-60.9-47.5177.2-59.70000112L64 N104 I105 L110 F111 L112 N286L64-S108 WeakPolarHBondContact CD1-OG 3.27Å; N104-S108 WeakPolarHBondContact O-CB 3.49Å; N104-S108 PolarHBondContact O-N 3.27Å; N104-S108 PolarHBondContact O-OG 2.84Å; I105-S108 PolarHBondContact O-N 3.49Å; S108-L110 PolarHBondContact O-N 3.02Å; S108-F111 PolarHBondContact O-N 3.07Å; S108-L112 VanDerWaalsContact O-CB 3.28Å; S108-L112 WeakPolarHBondContact O-CB 3.43Å; S108-L112 WeakPolarHBondContact O-CG 3.3Å; S108-L112 PolarHBondContact O-N 3.37Å; S108-N286 WeakPolarHBondContact CB-ND2 3.28Å; S108-N286 PolarHBondContact OG-ND2 3.36Å
109M93.8Very high93.1Very high0 Ų012.9 Ų12.90%07%0.068CC..Hα-helixtrans-58.2-47175-73.6-170.6-118.400112.7I105 Y106 T113 F196 P199 F241 F245 N249I105-M109 HydrophobicContact CG2-CE 3.26Å; I105-M109 PolarHBondContact O-N 3.3Å; I105-M109 VanDerWaalsContact O-N 3.15Å; Y106-M109 HydrophobicContact CD1-CE 4.17Å; Y106-M109 HydrophobicContact CE1-CE 4.29Å; Y106-M109 PolarHBondContact O-N 3.3Å; M109-T113 WeakPolarHBondContact O-CB 3.45Å; M109-T113 PolarHBondContact O-N 3.25Å; M109-T113 PolarHBondContact O-OG1 2.75Å; M109-F196 HydrophobicContact SD-CB 4.47Å; M109-F196 HydrophobicContact SD-CD2 3.9Å; M109-P199 HydrophobicContact CB-CB 4.28Å; M109-F241 HydrophobicContact CB-CE2 3.79Å; M109-F241 HydrophobicContact CB-CZ 4.41Å; M109-F241 HydrophobicContact CG-CD2 4.33Å; M109-F241 HydrophobicContact CG-CE2 3.62Å; M109-F241 HydrophobicContact CG-CZ 4.05Å; M109-F241 HydrophobicContact SD-CE2 4.21Å; M109-F241 HydrophobicContact SD-CZ 4.01Å; M109-F245 HydrophobicContact CE-CB 3.87Å; M109-F245 HydrophobicContact CE-CD1 3.73Å; M109-F245 HydrophobicContact CE-CG 3.87Å; M109-F245 HydrophobicContact CG-CB 4.1Å; M109-F245 HydrophobicContact CG-CD1 3.9Å; M109-F245 HydrophobicContact CG-CD2 3.52Å; M109-F245 HydrophobicContact CG-CE1 4.19Å; M109-F245 HydrophobicContact CG-CE2 3.88Å; M109-F245 HydrophobicContact CG-CG 3.55Å; M109-F245 HydrophobicContact CG-CZ 4.18Å; M109-F245 HydrophobicContact SD-CB 3.85Å; M109-F245 HydrophobicContact SD-CD1 4.37Å; M109-F245 HydrophobicContact SD-CD2 4.38Å; M109-F245 HydrophobicContact SD-CG 3.95Å; M109-N249 WeakPolarHBondContact CE-ND2 3.45Å
110L95.2Very high92.9Very high30 Ų3013.4 Ų13.416%0.1577%0.069CC..Hα-helixtrans-69.3-43.2-178.7-71.6173000112.2Y106 G107 S108 T113 C114 V145 I149 P199Y106-L110 WeakPolarHBondContact O-CB 3.5Å; Y106-L110 WeakPolarHBondContact O-CG 3.5Å; Y106-L110 PolarHBondContact O-N 2.85Å; G107-L110 PolarHBondContact O-N 3.43Å; S108-L110 PolarHBondContact O-N 3.02Å; L110-T113 CarbonylContact O-C 3.59Å; L110-T113 WeakPolarHBondContact O-CB 3.36Å; L110-T113 PolarHBondContact O-N 2.93Å; L110-C114 PolarHBondContact O-N 3.27Å; L110-C114 PolarHBondContact O-SG 3.25Å; L110-V145 HydrophobicContact CB-CG1 3.85Å; L110-V145 HydrophobicContact CB-CG2 4.22Å; L110-V145 HydrophobicContact CD1-CG1 4.07Å; L110-I149 HydrophobicContact CD1-CG2 3.64Å; L110-P199 HydrophobicContact CD2-CG 3.75Å
111F94.9Very high92.7Very high0 Ų014.8 Ų14.80%08%0.076CC..Hα-helixtrans-66.8-39.8177.5-73.2-54.8000112.4F60 N63 L64 G107 S108 T113 C114 I115 C142 V145 W146F60-F111 HydrophobicContact CB-CD1 4.45Å; F60-F111 HydrophobicContact CD1-CD1 4.24Å; N63-F111 HydrophobicContact CB-CD1 4.22Å; N63-F111 HydrophobicContact CB-CD2 4.44Å; N63-F111 HydrophobicContact CB-CE1 3.61Å; N63-F111 HydrophobicContact CB-CE2 3.87Å; N63-F111 HydrophobicContact CB-CZ 3.43Å; N63-F111 VanDerWaalsContact CB-CZ 3.43Å; L64-F111 HydrophobicContact CB-CB 4.17Å; L64-F111 HydrophobicContact CB-CD2 4.41Å; L64-F111 HydrophobicContact CB-CG 4.49Å; L64-F111 HydrophobicContact CD1-CB 4.31Å; L64-F111 HydrophobicContact CD1-CD2 4.5Å; G107-F111 WeakPolarHBondContact O-CB 3.4Å; G107-F111 WeakPolarHBondContact O-CD2 3.49Å; G107-F111 WeakPolarHBondContact O-CG 3.45Å; G107-F111 PolarHBondContact O-N 3.44Å; S108-F111 PolarHBondContact O-N 3.07Å; F111-T113 VanDerWaalsContact C-N 3.28Å; F111-T113 PolarHBondContact O-N 3.49Å; F111-C114 WeakPolarHBondContact O-CB 3.32Å; F111-C114 PolarHBondContact O-N 3.45Å; F111-I115 VanDerWaalsContact O-CG1 3.29Å; F111-I115 WeakPolarHBondContact O-CG1 3.28Å; F111-I115 PolarHBondContact O-N 2.93Å; F111-C142 HydrophobicContact CE1-CB 4.27Å; F111-V145 HydrophobicContact CD1-CG1 4.34Å; F111-V145 HydrophobicContact CD2-CG1 4.42Å; F111-V145 HydrophobicContact CE1-CB 4.13Å; F111-V145 HydrophobicContact CE1-CG1 3.84Å; F111-V145 HydrophobicContact CE2-CG1 3.93Å; F111-V145 HydrophobicContact CZ-CB 4.17Å; F111-V145 HydrophobicContact CZ-CG1 3.59Å; F111-W146 HydrophobicContact CE2-CZ2 4.38Å; F111-W146 AromaticContact CZ-NE1 3.78Å
112L91.2Very high92.4Very high1 Ų114.6 Ų14.61%0.0058%0.079CC..Hα-helixtrans-61.3-39.5171.5-71.8172.3000111.3L64 S108 I115 S116 F245 V293L64-L112 HydrophobicContact CD2-CD2 4.1Å; L64-L112 HydrophobicContact CD2-CG 4.32Å; S108-L112 VanDerWaalsContact O-CB 3.28Å; S108-L112 WeakPolarHBondContact O-CB 3.43Å; S108-L112 WeakPolarHBondContact O-CG 3.3Å; S108-L112 PolarHBondContact O-N 3.37Å; L112-I115 PolarHBondContact O-N 3.15Å; L112-S116 PolarHBondContact O-N 3.34Å; L112-S116 PolarHBondContact O-OG 2.92Å; L112-F245 HydrophobicContact CD1-CE2 3.84Å; L112-F245 HydrophobicContact CD1-CZ 4.47Å; L112-V293 HydrophobicContact CD2-CG1 3.88Å; L112-V293 HydrophobicContact CD2-CG2 4.21Å
113T93.7Very high92.1Very high8 Ų815.8 Ų15.85%0.0499%0.085CC..Hα-helixtrans-62.3-46.1173.4-54.10000111.6M109 L110 F111 I115 S116 V117 P199 A202 N203M109-T113 WeakPolarHBondContact O-CB 3.45Å; M109-T113 PolarHBondContact O-N 3.25Å; M109-T113 PolarHBondContact O-OG1 2.75Å; L110-T113 CarbonylContact O-C 3.59Å; L110-T113 WeakPolarHBondContact O-CB 3.36Å; L110-T113 PolarHBondContact O-N 2.93Å; F111-T113 VanDerWaalsContact C-N 3.28Å; F111-T113 PolarHBondContact O-N 3.49Å; T113-I115 VanDerWaalsContact C-N 3.28Å; T113-I115 PolarHBondContact O-N 3.23Å; T113-S116 PolarHBondContact O-N 3.27Å; T113-S116 VanDerWaalsContact O-N 3.15Å; T113-V117 HydrophobicContact CG2-CG2 4.28Å; T113-V117 WeakPolarHBondContact O-CB 3.29Å; T113-V117 VanDerWaalsContact O-CG2 3.31Å; T113-V117 WeakPolarHBondContact O-CG2 3.48Å; T113-V117 PolarHBondContact O-N 3.41Å; T113-P199 WeakPolarHBondContact OG1-CB 3.18Å; T113-A202 HydrophobicContact CG2-CB 3.61Å; T113-N203 PolarHBondContact OG1-ND2 3.34Å
114C94.6Very high91.8Very high21 Ų2117.1 Ų17.114%0.1429%0.093CC..Hα-helixtrans-58.7-40.9175.9-67.30000111.6F60 L110 F111 V117 D118F60-C114 HydrophobicContact CD1-CB 3.81Å; F60-C114 HydrophobicContact CD2-CB 3.96Å; F60-C114 HydrophobicContact CE1-CB 3.85Å; F60-C114 HydrophobicContact CE2-CB 3.98Å; F60-C114 HydrophobicContact CG-CB 3.89Å; F60-C114 HydrophobicContact CZ-CB 3.94Å; L110-C114 PolarHBondContact O-N 3.27Å; L110-C114 PolarHBondContact O-SG 3.25Å; F111-C114 WeakPolarHBondContact O-CB 3.32Å; F111-C114 PolarHBondContact O-N 3.45Å; C114-V117 PolarHBondContact O-N 3.43Å; C114-D118 VanDerWaalsContact O-CB 3.29Å; C114-D118 WeakPolarHBondContact O-CB 3.17Å; C114-D118 PolarHBondContact O-N 2.82Å
115I91.2Very high91.3Very high0 Ų022.5 Ų22.50%011%0.114CC..Hα-helixtrans-62.9-46.8174.5-67.8164.9000110.6T57 F60 M61 F111 L112 T113 V117 D118 R119 H237 T297T57-I115 HydrophobicContact CG2-CB 4.48Å; T57-I115 HydrophobicContact CG2-CG1 4.18Å; T57-I115 HydrophobicContact CG2-CG2 3.88Å; F60-I115 HydrophobicContact CB-CD1 4.21Å; F60-I115 HydrophobicContact CB-CG1 3.7Å; F60-I115 HydrophobicContact CD2-CG1 4.33Å; F60-I115 HydrophobicContact CG-CG1 4.43Å; M61-I115 HydrophobicContact CG-CD1 4.03Å; F111-I115 VanDerWaalsContact O-CG1 3.29Å; F111-I115 WeakPolarHBondContact O-CG1 3.28Å; F111-I115 PolarHBondContact O-N 2.93Å; L112-I115 PolarHBondContact O-N 3.15Å; T113-I115 VanDerWaalsContact C-N 3.28Å; T113-I115 PolarHBondContact O-N 3.23Å; I115-V117 PolarHBondContact O-N 3.38Å; I115-D118 PolarHBondContact O-N 3.49Å; I115-R119 WeakPolarHBondContact O-CB 3.47Å; I115-R119 WeakPolarHBondContact O-CG 3.46Å; I115-R119 PolarHBondContact O-N 2.94Å; I115-H237 VanDerWaalsContact CG2-CE1 3.49Å; I115-H237 WeakPolarHBondContact CG2-CE1 3.39Å; I115-T297 HydrophobicContact CG2-CG2 4.38Å
116S90.3Very high90.9Very high8 Ų825.7 Ų25.76%0.05614%0.135CC..Hα-helixtrans-61.5-42.1177.5-67.70000112.6L112 T113 R119 F120 N203L112-S116 PolarHBondContact O-N 3.34Å; L112-S116 PolarHBondContact O-OG 2.92Å; T113-S116 PolarHBondContact O-N 3.27Å; T113-S116 VanDerWaalsContact O-N 3.15Å; S116-R119 PolarHBondContact O-N 2.91Å; S116-F120 WeakPolarHBondContact O-CB 3.39Å; S116-F120 PolarHBondContact O-N 2.65Å; S116-N203 WeakPolarHBondContact CB-OD1 3.21Å; S116-N203 PolarHBondContact OG-OD1 3.43Å
117V92.7Very high90.5Very high50 Ų5033.9 Ų33.930%0.30317%0.172SC..Hα-helixtrans-67.3-45.1176.9172.20000111.1T113 C114 I115 R119 F120 L121T113-V117 HydrophobicContact CG2-CG2 4.28Å; T113-V117 WeakPolarHBondContact O-CB 3.29Å; T113-V117 VanDerWaalsContact O-CG2 3.31Å; T113-V117 WeakPolarHBondContact O-CG2 3.48Å; T113-V117 PolarHBondContact O-N 3.41Å; C114-V117 PolarHBondContact O-N 3.43Å; I115-V117 PolarHBondContact O-N 3.38Å; V117-R119 PolarHBondContact O-N 3.32Å; V117-F120 WeakPolarHBondContact O-CB 3.4Å; V117-F120 PolarHBondContact O-N 2.91Å; V117-L121 HydrophobicContact CG1-CD1 4.05Å; V117-L121 HydrophobicContact CG1-CG 4.33Å; V117-L121 WeakPolarHBondContact O-CG 3.37Å; V117-L121 PolarHBondContact O-N 3.1Å
118D91.2Very high90.1Very high8 Ų844 Ų444%0.04321%0.21CC..Hα-helixtrans-56.1-43.5175.5173.761.2000111T57 F60 C114 I115 L121 A122 R133T57-D118 PolarHBondContact OG1-OD2 3.3Å; F60-D118 HydrophobicContact CE2-CB 4.23Å; C114-D118 VanDerWaalsContact O-CB 3.29Å; C114-D118 WeakPolarHBondContact O-CB 3.17Å; C114-D118 PolarHBondContact O-N 2.82Å; I115-D118 PolarHBondContact O-N 3.49Å; D118-L121 PolarHBondContact O-N 3.5Å; D118-A122 WeakPolarHBondContact O-CB 3.38Å; D118-A122 PolarHBondContact O-N 2.96Å; D118-R133 PolarHBondContact O-NE 2.98Å; D118-R133 IonicContact OD1-CZ 2.78Å; D118-R133 VanDerWaalsContact OD1-CZ 3.23Å; D118-R133 IonicContact OD1-NE 2.82Å; D118-R133 PolarHBondContact OD1-NE 3.48Å; D118-R133 IonicContact OD1-NH2 3.26Å; D118-R133 PolarHBondContact OD1-NH2 3.14Å; D118-R133 IonicContact OD2-NH2 3.93Å; D118-R133 PolarHBondContact OD2-NH2 2.89Å
119R88.2Confident89.8Confident44 Ų4444 Ų4417%0.16621%0.21CC..Hα-helixtrans-68.4-41.8178.1-67.7-70.8-173.6-138.82.7112.3T57 I115 S116 V117 A122 I123 M233 T297T57-R119 PolarHBondContact OG1-NH1 2.71Å; I115-R119 WeakPolarHBondContact O-CB 3.47Å; I115-R119 WeakPolarHBondContact O-CG 3.46Å; I115-R119 PolarHBondContact O-N 2.94Å; S116-R119 PolarHBondContact O-N 2.91Å; V117-R119 PolarHBondContact O-N 3.32Å; R119-A122 WeakPolarHBondContact O-CB 3.39Å; R119-A122 PolarHBondContact O-N 2.93Å; R119-I123 WeakPolarHBondContact O-CD1 3.48Å; R119-I123 WeakPolarHBondContact O-CG1 3.4Å; R119-I123 PolarHBondContact O-N 2.75Å; R119-I123 VanDerWaalsContact O-N 3.14Å; R119-M233 HydrophobicContact CB-CE 3.83Å; R119-M233 HydrophobicContact CG-CE 3.37Å; R119-M233 HydrophobicContact CG-SD 4.04Å; R119-M233 PolarHBondContact NE-SD 2.81Å; R119-M233 VanDerWaalsContact NE-SD 3.37Å; R119-T297 VanDerWaalsContact NH2-CG2 3.28Å; R119-T297 PolarHBondContact NH2-O 3.23Å
120F90.1Very high89.4Confident30 Ų3054 Ų5413%0.13225%0.248CC..Hα-helixtrans-56.5-51.5172.5160.7-106.5000112S116 V117 A122 I123 V124 Y125 C206 L209 V210S116-F120 WeakPolarHBondContact O-CB 3.39Å; S116-F120 PolarHBondContact O-N 2.65Å; V117-F120 WeakPolarHBondContact O-CB 3.4Å; V117-F120 PolarHBondContact O-N 2.91Å; F120-A122 VanDerWaalsContact C-N 3.32Å; F120-A122 PolarHBondContact O-N 3.42Å; F120-I123 PolarHBondContact O-N 3Å; F120-V124 HydrophobicContact CD2-CB 3.97Å; F120-V124 HydrophobicContact CD2-CG2 3.48Å; F120-V124 VanDerWaalsContact CD2-CG2 3.48Å; F120-V124 HydrophobicContact CE2-CB 3.77Å; F120-V124 HydrophobicContact CE2-CG1 3.95Å; F120-V124 HydrophobicContact CE2-CG2 3.62Å; F120-V124 WeakPolarHBondContact O-CB 3.46Å; F120-V124 WeakPolarHBondContact O-CG2 3.46Å; F120-V124 PolarHBondContact O-N 3.45Å; F120-Y125 HydrophobicContact CE1-CD2 4.37Å; F120-Y125 HydrophobicContact CE1-CE2 4.2Å; F120-Y125 HydrophobicContact CE2-CE2 4.22Å; F120-Y125 HydrophobicContact CZ-CD2 4.11Å; F120-Y125 AromaticContact CZ-CE2 3.6Å; F120-Y125 HydrophobicContact CZ-CE2 3.6Å; F120-C206 HydrophobicContact CB-CB 3.94Å; F120-C206 HydrophobicContact CG-CB 4.35Å; F120-L209 HydrophobicContact CD2-CB 3.95Å; F120-L209 HydrophobicContact CD2-CD1 4.34Å; F120-L209 HydrophobicContact CE2-CB 3.65Å; F120-L209 HydrophobicContact CE2-CD1 3.49Å; F120-L209 VanDerWaalsContact CE2-CD1 3.49Å; F120-L209 HydrophobicContact CE2-CG 4.22Å; F120-L209 HydrophobicContact CZ-CD1 3.81Å; F120-V210 VanDerWaalsContact CA-CG2 3.49Å; F120-V210 HydrophobicContact CB-CG2 3.87Å; F120-V210 HydrophobicContact CD2-CG2 4.11Å
121L90.3Very high89Confident35 Ų3556.9 Ų56.918%0.18327%0.27CS..Hα-helixtrans-61.7-40.4179.2-69.7176000112V117 D118 I123 Y125 S129 R133V117-L121 HydrophobicContact CG1-CD1 4.05Å; V117-L121 HydrophobicContact CG1-CG 4.33Å; V117-L121 WeakPolarHBondContact O-CG 3.37Å; V117-L121 PolarHBondContact O-N 3.1Å; D118-L121 PolarHBondContact O-N 3.5Å; L121-I123 VanDerWaalsContact C-N 3.3Å; L121-I123 PolarHBondContact O-N 3.34Å; L121-Y125 HydrophobicContact CD2-CD2 4.46Å; L121-Y125 CarbonylContact O-C 3.53Å; L121-Y125 WeakPolarHBondContact O-CA 3.35Å; L121-Y125 PolarHBondContact O-N 3.07Å; L121-Y125 VanDerWaalsContact O-N 3.14Å; L121-S129 PolarHBondContact O-OG 3.24Å; L121-S129 VanDerWaalsContact O-OG 3.05Å; L121-R133 HydrophobicContact CB-CG 4.29Å; L121-R133 HydrophobicContact CD1-CG 4.37Å
122A87.4Confident88.8Confident24 Ų2461.4 Ų61.420%0.19829%0.294CS..Hα-helixtrans-60.4-36.5177.800000113.7D118 R119 F120D118-A122 WeakPolarHBondContact O-CB 3.38Å; D118-A122 PolarHBondContact O-N 2.96Å; R119-A122 WeakPolarHBondContact O-CB 3.39Å; R119-A122 PolarHBondContact O-N 2.93Å; F120-A122 VanDerWaalsContact C-N 3.32Å; F120-A122 PolarHBondContact O-N 3.42Å
123I85.2Confident88.8Confident47 Ų4764.3 Ų64.324%0.24131%0.305CS..Hα-helixtrans-97.8-44.5-169.8-64.8160.6000111.4R119 F120 L121 V210 T213 L214 V230R119-I123 WeakPolarHBondContact O-CD1 3.48Å; R119-I123 WeakPolarHBondContact O-CG1 3.4Å; R119-I123 PolarHBondContact O-N 2.75Å; R119-I123 VanDerWaalsContact O-N 3.14Å; F120-I123 PolarHBondContact O-N 3Å; L121-I123 VanDerWaalsContact C-N 3.3Å; L121-I123 PolarHBondContact O-N 3.34Å; I123-V210 HydrophobicContact CD1-CG1 3.69Å; I123-V210 HydrophobicContact CD1-CG2 4.47Å; I123-V210 HydrophobicContact CG2-CG1 4.25Å; I123-T213 HydrophobicContact CG2-CG2 4.36Å; I123-L214 HydrophobicContact CG2-CD2 4.38Å; I123-V230 HydrophobicContact CD1-CB 4.46Å; I123-V230 HydrophobicContact CD1-CG1 3.35Å; I123-V230 HydrophobicContact CD1-CG2 4.27Å
124V85.9Confident88.7Confident33 Ų3366.2 Ų66.220%0.232%0.316CS..Hα-helixtrans-83.9-32.6-174.6-174.50000111.1F120 V210 T213F120-V124 HydrophobicContact CD2-CB 3.97Å; F120-V124 HydrophobicContact CD2-CG2 3.48Å; F120-V124 VanDerWaalsContact CD2-CG2 3.48Å; F120-V124 HydrophobicContact CE2-CB 3.77Å; F120-V124 HydrophobicContact CE2-CG1 3.95Å; F120-V124 HydrophobicContact CE2-CG2 3.62Å; F120-V124 WeakPolarHBondContact O-CB 3.46Å; F120-V124 WeakPolarHBondContact O-CG2 3.46Å; F120-V124 PolarHBondContact O-N 3.45Å; V124-V210 HydrophobicContact CG2-CG2 4.23Å; V124-T213 HydrophobicContact CG2-CG2 4.44Å
125Y86Confident88.5Confident113 Ų11371.5 Ų71.544%0.44333%0.333SS..SBendtrans-132.357.3-177.7-59-68.4000112.9F120 L121 F127 R128 S129F120-Y125 HydrophobicContact CE1-CD2 4.37Å; F120-Y125 HydrophobicContact CE1-CE2 4.2Å; F120-Y125 HydrophobicContact CE2-CE2 4.22Å; F120-Y125 HydrophobicContact CZ-CD2 4.11Å; F120-Y125 AromaticContact CZ-CE2 3.6Å; F120-Y125 HydrophobicContact CZ-CE2 3.6Å; L121-Y125 HydrophobicContact CD2-CD2 4.46Å; L121-Y125 CarbonylContact O-C 3.53Å; L121-Y125 WeakPolarHBondContact O-CA 3.35Å; L121-Y125 PolarHBondContact O-N 3.07Å; L121-Y125 VanDerWaalsContact O-N 3.14Å; Y125-F127 VanDerWaalsContact C-N 3.35Å; Y125-F127 PolarHBondContact O-N 3.44Å; Y125-R128 PolarHBondContact O-N 3.08Å; Y125-S129 WeakPolarHBondContact O-CB 3.2Å; Y125-S129 PolarHBondContact O-N 3.4Å; Y125-S129 PolarHBondContact O-OG 3.26Å
126P83.8Confident88.6Confident69 Ų6981 Ų8145%0.44837%0.369SS..THydrogen-bonded Turntrans-58.6-39.1-17121.5-33.3000114.2
127F85.6Confident88.8Confident191 Ų19183.4 Ų83.484%0.83838%0.381SS*.THydrogen-bonded Turntrans-83.4-45.4-179.5-58.6-69.5000112.6Y125 S129 R130Y125-F127 VanDerWaalsContact C-N 3.35Å; Y125-F127 PolarHBondContact O-N 3.44Å; F127-S129 VanDerWaalsContact C-N 3.34Å; F127-S129 PolarHBondContact O-N 3.43Å; F127-R130 PolarHBondContact O-N 3.07Å
128R86Confident88.9Confident211 Ų21181.2 Ų81.280%0.79637%0.369SS*.THydrogen-bonded Turntrans-70.6-28.9-176.5-169.2174.8-178.4169.10.5112.8Y125 R130Y125-R128 PolarHBondContact O-N 3.08Å; R128-R130 VanDerWaalsContact C-N 3.34Å
129S88.1Confident89.1Confident2 Ų283 Ų831%0.01438%0.384CS..THydrogen-bonded Turntrans-82.9-6.8-179.168.20000114.4L121 Y125 F127 S131 I132 R133L121-S129 PolarHBondContact O-OG 3.24Å; L121-S129 VanDerWaalsContact O-OG 3.05Å; Y125-S129 WeakPolarHBondContact O-CB 3.2Å; Y125-S129 PolarHBondContact O-N 3.4Å; Y125-S129 PolarHBondContact O-OG 3.26Å; F127-S129 VanDerWaalsContact C-N 3.34Å; F127-S129 PolarHBondContact O-N 3.43Å; S129-S131 VanDerWaalsContact C-N 3.28Å; S129-S131 PolarHBondContact O-N 2.88Å; S129-I132 PolarHBondContact O-N 2.85Å; S129-R133 WeakPolarHBondContact O-CB 3.31Å; S129-R133 WeakPolarHBondContact O-CG 3.5Å; S129-R133 PolarHBondContact O-N 3.29Å; S129-R133 WeakPolarHBondContact OG-CD 3.28Å
130R86.2Confident89.6Confident208 Ų20886 Ų8679%0.78540%0.403SS*.THydrogen-bonded Turntrans-60.2-34.3-175.1-170.6173.3-177.4171.90.1113.5F127 R128F127-R130 PolarHBondContact O-N 3.07Å; R128-R130 VanDerWaalsContact C-N 3.34Å
131S87.6Confident89.9Confident91 Ų9187.4 Ų87.464%0.63641%0.414SS*.THydrogen-bonded Turntrans-75.1-25.9176.456.40000113.3S129 T134S129-S131 VanDerWaalsContact C-N 3.28Å; S129-S131 PolarHBondContact O-N 2.88Å; S131-T134 WeakPolarHBondContact O-CG2 3.49Å
132I89.6Confident90.2Very high96 Ų9686 Ų8649%0.49241%0.407SS..THydrogen-bonded Turntrans-87.2-41.6-179.6-61171.3000110.4S129 T134 N137S129-I132 PolarHBondContact O-N 2.85Å; I132-T134 PolarHBondContact O-N 3.38Å; I132-N137 VanDerWaalsContact O-CB 3.32Å; I132-N137 WeakPolarHBondContact O-CB 3.47Å; I132-N137 PolarHBondContact O-ND2 3.25Å
133R91.3Very high90.7Very high62 Ų6287.2 Ų87.223%0.23442%0.417CS..SBendtrans-80.866.1-177.5-63.7-179.570.6-130.1-8.4111.3D118 L121 S129D118-R133 PolarHBondContact O-NE 2.98Å; D118-R133 IonicContact OD1-CZ 2.78Å; D118-R133 VanDerWaalsContact OD1-CZ 3.23Å; D118-R133 IonicContact OD1-NE 2.82Å; D118-R133 PolarHBondContact OD1-NE 3.48Å; D118-R133 IonicContact OD1-NH2 3.26Å; D118-R133 PolarHBondContact OD1-NH2 3.14Å; D118-R133 IonicContact OD2-NH2 3.93Å; D118-R133 PolarHBondContact OD2-NH2 2.89Å; L121-R133 HydrophobicContact CB-CG 4.29Å; L121-R133 HydrophobicContact CD1-CG 4.37Å; S129-R133 WeakPolarHBondContact O-CB 3.31Å; S129-R133 WeakPolarHBondContact O-CG 3.5Å; S129-R133 PolarHBondContact O-N 3.29Å; S129-R133 WeakPolarHBondContact OG-CD 3.28Å
134T91.8Very high91.3Very high48 Ų4887.4 Ų87.429%0.29443%0.426SS..  trans-114.5152175.769.60000110.1S131 I132 R136 N137 A138S131-T134 WeakPolarHBondContact O-CG2 3.49Å; I132-T134 PolarHBondContact O-N 3.38Å; T134-R136 PolarHBondContact O-N 2.72Å; T134-N137 PolarHBondContact O-N 3.2Å; T134-N137 VanDerWaalsContact O-N 3.15Å; T134-N137 VanDerWaalsContact OG1-CG 3.27Å; T134-N137 PolarHBondContact OG1-N 2.89Å; T134-N137 PolarHBondContact OG1-ND2 3.39Å; T134-A138 PolarHBondContact O-N 3.43Å
135R90.8Very high91.9Very high132 Ų13286.4 Ų86.450%0.49842%0.42SS..Hα-helixtrans-55.9-35.5174.8-66.2-172.6-173.7168.45.4113.1R54 M59 A138 A139R54-R135 PolarHBondContact O-NE 3.14Å; R54-R135 PolarHBondContact O-NH2 3.02Å; M59-R135 HydrophobicContact CE-CB 4.18Å; R135-A138 PolarHBondContact O-N 3.2Å; R135-A139 WeakPolarHBondContact O-CB 3.35Å; R135-A139 PolarHBondContact O-N 3.4Å
136R93.4Very high92.4Very high200 Ų20083.4 Ų83.476%0.75541%0.408SS*.Hα-helixtrans-63.1-48.4177.6-175.1179.7179.8-179.1-0.2110.7T134 A139 L140T134-R136 PolarHBondContact O-N 2.72Å; R136-A139 PolarHBondContact O-N 3.14Å; R136-L140 WeakPolarHBondContact O-CG 3.49Å; R136-L140 PolarHBondContact O-N 2.9Å
137N94.5Very high93Very high57 Ų5786.5 Ų86.531%0.30542%0.42SS..Hα-helixtrans-66.4-39.9178.4-65.9-10000111.3I132 T134 A139 L140 V141I132-N137 VanDerWaalsContact O-CB 3.32Å; I132-N137 WeakPolarHBondContact O-CB 3.47Å; I132-N137 PolarHBondContact O-ND2 3.25Å; T134-N137 PolarHBondContact O-N 3.2Å; T134-N137 VanDerWaalsContact O-N 3.15Å; T134-N137 VanDerWaalsContact OG1-CG 3.27Å; T134-N137 PolarHBondContact OG1-N 2.89Å; T134-N137 PolarHBondContact OG1-ND2 3.39Å; N137-A139 VanDerWaalsContact C-N 3.3Å; N137-A139 PolarHBondContact O-N 2.76Å; N137-L140 PolarHBondContact O-N 2.79Å; N137-V141 VanDerWaalsContact O-CG2 3.29Å; N137-V141 WeakPolarHBondContact O-CG2 3.48Å; N137-V141 PolarHBondContact O-N 3.3Å
138A94.7Very high93.4Very high5 Ų581.8 Ų81.84%0.04141%0.407CS..Hα-helixtrans-59.8-40.5174.400000112E56 M59 F60 T134 R135 V141 C142E56-A138 HydrophobicContact CB-CB 3.97Å; E56-A138 HydrophobicContact CG-CB 4.11Å; M59-A138 HydrophobicContact SD-CB 3.85Å; F60-A138 HydrophobicContact CE1-CB 4.3Å; F60-A138 HydrophobicContact CZ-CB 3.95Å; T134-A138 PolarHBondContact O-N 3.43Å; R135-A138 PolarHBondContact O-N 3.2Å; A138-V141 PolarHBondContact O-N 3.49Å; A138-C142 PolarHBondContact O-N 2.91Å; A138-C142 PolarHBondContact O-SG 2.83Å
139A95.5Very high93.8Very high45 Ų4572.1 Ų72.137%0.37237%0.371SS..Hα-helixtrans-66-42.7176.400000112M59 R135 R136 N137 V141 C142 A143M59-A139 HydrophobicContact CE-CB 4.41Å; M59-A139 VanDerWaalsContact SD-CA 3.55Å; M59-A139 HydrophobicContact SD-CB 3.82Å; M59-A139 PolarHBondContact SD-N 3.01Å; M59-A139 VanDerWaalsContact SD-N 3.37Å; R135-A139 WeakPolarHBondContact O-CB 3.35Å; R135-A139 PolarHBondContact O-N 3.4Å; R136-A139 PolarHBondContact O-N 3.14Å; N137-A139 VanDerWaalsContact C-N 3.3Å; N137-A139 PolarHBondContact O-N 2.76Å; A139-V141 VanDerWaalsContact C-N 3.34Å; A139-V141 PolarHBondContact O-N 2.71Å; A139-C142 PolarHBondContact O-N 3.37Å; A139-A143 WeakPolarHBondContact O-CB 3.35Å; A139-A143 PolarHBondContact O-N 2.83Å
140L97.1Very high94.1Very high106 Ų10674.4 Ų74.456%0.55538%0.384SS*.Hα-helixtrans-61.6-42.1174.4-69.4173000111.7R136 N137 A143 A144R136-L140 WeakPolarHBondContact O-CG 3.49Å; R136-L140 PolarHBondContact O-N 2.9Å; N137-L140 PolarHBondContact O-N 2.79Å; L140-A143 PolarHBondContact O-N 3.44Å; L140-A144 WeakPolarHBondContact O-CB 3.49Å; L140-A144 PolarHBondContact O-N 3.41Å
141V97.3Very high94.4Very high61 Ų6166.3 Ų66.337%0.3737%0.366SS..Hα-helixtrans-63-44.5174.8171.20000110.8F60 N137 A138 A139 A143 A144 V145F60-V141 HydrophobicContact CE1-CB 4.24Å; F60-V141 HydrophobicContact CE1-CG1 3.92Å; F60-V141 HydrophobicContact CZ-CG1 4.3Å; N137-V141 VanDerWaalsContact O-CG2 3.29Å; N137-V141 WeakPolarHBondContact O-CG2 3.48Å; N137-V141 PolarHBondContact O-N 3.3Å; A138-V141 PolarHBondContact O-N 3.49Å; A139-V141 VanDerWaalsContact C-N 3.34Å; A139-V141 PolarHBondContact O-N 2.71Å; V141-A143 VanDerWaalsContact C-N 3.34Å; V141-A143 PolarHBondContact O-N 2.93Å; V141-A144 PolarHBondContact O-N 3.15Å; V141-V145 HydrophobicContact CG1-CG2 4.41Å; V141-V145 WeakPolarHBondContact O-CG2 3.46Å; V141-V145 PolarHBondContact O-N 2.88Å
142C97.6Very high94.5Very high5 Ų563 Ų633%0.03435%0.346CS..Hα-helixtrans-60.1-44.9175.9-66.20000111.5F60 N63 F111 A138 A139 A144 V145 W146F60-C142 WeakPolarHBondContact CD1-SG 3.48Å; N63-C142 PolarHBondContact ND2-SG 3.45Å; F111-C142 HydrophobicContact CE1-CB 4.27Å; A138-C142 PolarHBondContact O-N 2.91Å; A138-C142 PolarHBondContact O-SG 2.83Å; A139-C142 PolarHBondContact O-N 3.37Å; C142-A144 VanDerWaalsContact C-N 3.35Å; C142-A144 PolarHBondContact O-N 3.3Å; C142-V145 PolarHBondContact O-N 2.93Å; C142-W146 PolarHBondContact O-N 3.24Å
143A97.8Very high94.6Very high50 Ų5058.4 Ų58.441%0.41332%0.322SS..Hα-helixtrans-61.2-43.517700000111.7A139 L140 V141 W146 L147A139-A143 WeakPolarHBondContact O-CB 3.35Å; A139-A143 PolarHBondContact O-N 2.83Å; L140-A143 PolarHBondContact O-N 3.44Å; V141-A143 VanDerWaalsContact C-N 3.34Å; V141-A143 PolarHBondContact O-N 2.93Å; A143-W146 PolarHBondContact O-N 3.18Å; A143-L147 VanDerWaalsContact O-CG 3.31Å; A143-L147 WeakPolarHBondContact O-CG 3.48Å; A143-L147 PolarHBondContact O-N 3.15Å
144A97.6Very high94.5Very high50 Ų5059.7 Ų59.741%0.41333%0.333SS..Hα-helixtrans-61.2-45.9175.300000111.7L140 V141 C142 W146 L147 T148L140-A144 WeakPolarHBondContact O-CB 3.49Å; L140-A144 PolarHBondContact O-N 3.41Å; V141-A144 PolarHBondContact O-N 3.15Å; C142-A144 VanDerWaalsContact C-N 3.35Å; C142-A144 PolarHBondContact O-N 3.3Å; A144-W146 PolarHBondContact O-N 2.88Å; A144-L147 PolarHBondContact O-N 2.86Å; A144-T148 PolarHBondContact O-N 3.48Å; A144-T148 PolarHBondContact O-OG1 3.47Å
145V97.1Very high94.4Very high13 Ų1359.2 Ų59.28%0.07933%0.332CS..Hα-helixtrans-57.5-48.8175.7169.20000110.6L110 F111 V141 C142 L147 T148 I149L110-V145 HydrophobicContact CB-CG1 3.85Å; L110-V145 HydrophobicContact CB-CG2 4.22Å; L110-V145 HydrophobicContact CD1-CG1 4.07Å; F111-V145 HydrophobicContact CD1-CG1 4.34Å; F111-V145 HydrophobicContact CD2-CG1 4.42Å; F111-V145 HydrophobicContact CE1-CB 4.13Å; F111-V145 HydrophobicContact CE1-CG1 3.84Å; F111-V145 HydrophobicContact CE2-CG1 3.93Å; F111-V145 HydrophobicContact CZ-CB 4.17Å; F111-V145 HydrophobicContact CZ-CG1 3.59Å; V141-V145 HydrophobicContact CG1-CG2 4.41Å; V141-V145 WeakPolarHBondContact O-CG2 3.46Å; V141-V145 PolarHBondContact O-N 2.88Å; C142-V145 PolarHBondContact O-N 2.93Å; V145-L147 PolarHBondContact O-N 3.31Å; V145-T148 PolarHBondContact O-N 3.08Å; V145-I149 HydrophobicContact CG1-CD1 4.21Å; V145-I149 HydrophobicContact CG1-CG2 4.38Å; V145-I149 VanDerWaalsContact O-CG1 3.3Å; V145-I149 WeakPolarHBondContact O-CG1 3.41Å; V145-I149 WeakPolarHBondContact O-CG2 3.29Å; V145-I149 PolarHBondContact O-N 3.46Å
146W97.4Very high94.1Very high50 Ų5054 Ų5419%0.18931%0.314CS..Hα-helixtrans-58-46.8177.5-83.6113.6000112.9N63 F66 T103 F111 C142 A143 A144 T148 I149 V150N63-W146 PolarHBondContact OD1-NE1 3.31Å; F66-W146 AromaticContact CD1-CH2 3.8Å; F66-W146 HydrophobicContact CD1-CH2 3.8Å; F66-W146 AromaticContact CD1-CZ2 3.65Å; F66-W146 HydrophobicContact CD1-CZ2 3.65Å; F66-W146 HydrophobicContact CE1-CH2 4.19Å; F66-W146 HydrophobicContact CE1-CZ2 4.29Å; T103-W146 HydrophobicContact CG2-CE3 4.29Å; T103-W146 HydrophobicContact CG2-CH2 4.39Å; T103-W146 HydrophobicContact CG2-CZ3 3.6Å; F111-W146 HydrophobicContact CE2-CZ2 4.38Å; F111-W146 AromaticContact CZ-NE1 3.78Å; C142-W146 PolarHBondContact O-N 3.24Å; A143-W146 PolarHBondContact O-N 3.18Å; A144-W146 PolarHBondContact O-N 2.88Å; W146-T148 VanDerWaalsContact C-N 3.31Å; W146-T148 PolarHBondContact O-N 3.25Å; W146-I149 HydrophobicContact CD2-CD1 4.26Å; W146-I149 HydrophobicContact CE3-CD1 3.84Å; W146-I149 HydrophobicContact CE3-CG1 4.23Å; W146-I149 HydrophobicContact CZ3-CD1 4.11Å; W146-I149 WeakPolarHBondContact O-CG1 3.44Å; W146-I149 PolarHBondContact O-N 2.86Å; W146-V150 HydrophobicContact CE3-CG2 3.86Å; W146-V150 HydrophobicContact CZ3-CG2 4.35Å; W146-V150 VanDerWaalsContact O-CB 3.27Å; W146-V150 WeakPolarHBondContact O-CB 3.08Å; W146-V150 VanDerWaalsContact O-CG2 3.31Å; W146-V150 WeakPolarHBondContact O-CG2 3.4Å; W146-V150 PolarHBondContact O-N 2.72Å
147L96.7Very high93.8Very high134 Ų13444.8 Ų44.870%0.70228%0.28SS*.Hα-helixtrans-59.7-43.2177.1-71.7171.5000111.3A143 A144 V145 G151A143-L147 VanDerWaalsContact O-CG 3.31Å; A143-L147 WeakPolarHBondContact O-CG 3.48Å; A143-L147 PolarHBondContact O-N 3.15Å; A144-L147 PolarHBondContact O-N 2.86Å; V145-L147 PolarHBondContact O-N 3.31Å; L147-G151 WeakPolarHBondContact O-CA 3.28Å; L147-G151 PolarHBondContact O-N 3.47Å
148T93.9Very high93.3Very high92 Ų9248.5 Ų48.556%0.56429%0.294SS*.Hα-helixtrans-64.2-50.9178.1-57.90000112.1A144 V145 W146 G152A144-T148 PolarHBondContact O-N 3.48Å; A144-T148 PolarHBondContact O-OG1 3.47Å; V145-T148 PolarHBondContact O-N 3.08Å; W146-T148 VanDerWaalsContact C-N 3.31Å; W146-T148 PolarHBondContact O-N 3.25Å; T148-G152 PolarHBondContact O-N 3.35Å
149I94.6Very high92.7Very high7 Ų753 Ų534%0.03631%0.313CS..Hα-helixtrans-73.4-37.8-173.564.9-173.6000112.5T103 L110 V145 W146 G153T103-I149 HydrophobicContact CG2-CD1 3.75Å; T103-I149 HydrophobicContact CG2-CG1 3.91Å; L110-I149 HydrophobicContact CD1-CG2 3.64Å; V145-I149 HydrophobicContact CG1-CD1 4.21Å; V145-I149 HydrophobicContact CG1-CG2 4.38Å; V145-I149 VanDerWaalsContact O-CG1 3.3Å; V145-I149 WeakPolarHBondContact O-CG1 3.41Å; V145-I149 WeakPolarHBondContact O-CG2 3.29Å; V145-I149 PolarHBondContact O-N 3.46Å; W146-I149 HydrophobicContact CD2-CD1 4.26Å; W146-I149 HydrophobicContact CE3-CD1 3.84Å; W146-I149 HydrophobicContact CE3-CG1 4.23Å; W146-I149 HydrophobicContact CZ3-CD1 4.11Å; W146-I149 WeakPolarHBondContact O-CG1 3.44Å; W146-I149 PolarHBondContact O-N 2.86Å; I149-G153 PolarHBondContact O-N 2.93Å
150V94.6Very high91.8Very high50 Ų5054.1 Ų54.130%0.30332%0.318SS..Hα-helixtrans-72.9-44.1177.2174.40000110.1T103 W146 G152 G153 I154T103-V150 HydrophobicContact CG2-CG2 4.29Å; W146-V150 HydrophobicContact CE3-CG2 3.86Å; W146-V150 HydrophobicContact CZ3-CG2 4.35Å; W146-V150 VanDerWaalsContact O-CB 3.27Å; W146-V150 WeakPolarHBondContact O-CB 3.08Å; W146-V150 VanDerWaalsContact O-CG2 3.31Å; W146-V150 WeakPolarHBondContact O-CG2 3.4Å; W146-V150 PolarHBondContact O-N 2.72Å; V150-G152 VanDerWaalsContact C-N 3.34Å; V150-G152 PolarHBondContact O-N 3.03Å; V150-G153 PolarHBondContact O-N 2.96Å; V150-I154 HydrophobicContact CG1-CD1 3.67Å; V150-I154 HydrophobicContact CG1-CG1 4.29Å; V150-I154 WeakPolarHBondContact O-CB 3.32Å; V150-I154 VanDerWaalsContact O-CG1 3.27Å; V150-I154 WeakPolarHBondContact O-CG1 3.49Å; V150-I154 PolarHBondContact O-N 2.95Å
151G92.8Very high91Very high39 Ų3949.1 Ų49.140%0.40229%0.292SS..Hα-helixtrans-59.5-45.217500000111.9L147 I154 S155L147-G151 WeakPolarHBondContact O-CA 3.28Å; L147-G151 PolarHBondContact O-N 3.47Å; G151-I154 PolarHBondContact O-N 2.83Å; G151-S155 WeakPolarHBondContact O-CB 3.29Å; G151-S155 PolarHBondContact O-N 2.92Å
152G89.4Confident90.5Very high20 Ų2048.6 Ų48.621%0.20629%0.287CS..Hα-helixtrans-59.4-49.2173.400000112.6T148 V150 S155 V156T148-G152 PolarHBondContact O-N 3.35Å; V150-G152 VanDerWaalsContact C-N 3.34Å; V150-G152 PolarHBondContact O-N 3.03Å; G152-S155 PolarHBondContact O-N 3.29Å; G152-S155 PolarHBondContact O-OG 2.89Å; G152-V156 PolarHBondContact O-N 3.27Å; G152-V156 VanDerWaalsContact O-N 3.15Å
153G90.4Very high89.8Confident0 Ų050.5 Ų50.50%030%0.296CS..Hα-helixtrans-56.3-52.4175.700000112.5I149 V150 S155 V156 T157I149-G153 PolarHBondContact O-N 2.93Å; V150-G153 PolarHBondContact O-N 2.96Å; G153-S155 VanDerWaalsContact C-N 3.27Å; G153-S155 PolarHBondContact O-N 3.48Å; G153-V156 PolarHBondContact O-N 3.38Å; G153-V156 VanDerWaalsContact O-N 3.08Å; G153-T157 WeakPolarHBondContact O-CG2 3.49Å; G153-T157 PolarHBondContact O-N 3.27Å; G153-T157 PolarHBondContact O-OG1 3.35Å
154I90.2Very high89.1Confident89 Ų8952.2 Ų52.246%0.45631%0.305SS..Hα-helixtrans-58.5-39.5179-68.7169.7000111.3T99 V150 G151 V156 T157 F158T99-I154 HydrophobicContact CG2-CG1 4.24Å; V150-I154 HydrophobicContact CG1-CD1 3.67Å; V150-I154 HydrophobicContact CG1-CG1 4.29Å; V150-I154 WeakPolarHBondContact O-CB 3.32Å; V150-I154 VanDerWaalsContact O-CG1 3.27Å; V150-I154 WeakPolarHBondContact O-CG1 3.49Å; V150-I154 PolarHBondContact O-N 2.95Å; G151-I154 PolarHBondContact O-N 2.83Å; I154-V156 PolarHBondContact O-N 2.88Å; I154-T157 CarbonylContact O-C 3.39Å; I154-T157 PolarHBondContact O-N 2.87Å; I154-T157 PolarHBondContact O-OG1 3Å; I154-F158 WeakPolarHBondContact O-CA 3.48Å; I154-F158 PolarHBondContact O-N 3.07Å
155S88.9Confident88.1Confident39 Ų3958.2 Ų58.227%0.27332%0.317SS..Hα-helixtrans-61-43.6176.977.10000111.8G151 G152 G153 T157 F158 Y183G151-S155 WeakPolarHBondContact O-CB 3.29Å; G151-S155 PolarHBondContact O-N 2.92Å; G152-S155 PolarHBondContact O-N 3.29Å; G152-S155 PolarHBondContact O-OG 2.89Å; G153-S155 VanDerWaalsContact C-N 3.27Å; G153-S155 PolarHBondContact O-N 3.48Å; S155-T157 VanDerWaalsContact C-N 3.31Å; S155-T157 PolarHBondContact O-N 2.9Å; S155-F158 WeakPolarHBondContact O-CB 3.44Å; S155-F158 PolarHBondContact O-N 3.15Å; S155-Y183 PolarHBondContact O-OH 2.79Å
156V85.8Confident86.5Confident22 Ų2266.6 Ų66.613%0.13336%0.355CS..Hα-helixtrans-65.9-37176.4175.90000111.2I102 G152 G153 I154 F158 F172 L184 I187 I191I102-V156 HydrophobicContact CD1-CB 3.65Å; I102-V156 HydrophobicContact CD1-CG1 3.62Å; I102-V156 HydrophobicContact CD1-CG2 4.05Å; G152-V156 PolarHBondContact O-N 3.27Å; G152-V156 VanDerWaalsContact O-N 3.15Å; G153-V156 PolarHBondContact O-N 3.38Å; G153-V156 VanDerWaalsContact O-N 3.08Å; I154-V156 PolarHBondContact O-N 2.88Å; V156-F158 VanDerWaalsContact C-N 3.33Å; V156-F158 PolarHBondContact O-N 3.5Å; V156-F172 HydrophobicContact CG1-CE1 4.46Å; V156-L184 HydrophobicContact CG1-CD2 4.46Å; V156-I187 HydrophobicContact CG2-CG2 3.63Å; V156-I191 HydrophobicContact CG2-CD1 3.64Å
157T86.1Confident85.5Confident7 Ų776.3 Ų76.34%0.04339%0.392CS..THydrogen-bonded Turntrans-91.814.6-17777.30000113.4K95 T99 G153 I154 S155 F172K95-T157 WeakPolarHBondContact CD-O 3.38Å; K95-T157 WeakPolarHBondContact CE-O 3.12Å; K95-T157 WeakPolarHBondContact CG-O 3.4Å; T99-T157 WeakPolarHBondContact OG1-CG2 3.38Å; T99-T157 PolarHBondContact OG1-OG1 3.45Å; T99-T157 VanDerWaalsContact OG1-OG1 3.11Å; G153-T157 WeakPolarHBondContact O-CG2 3.49Å; G153-T157 PolarHBondContact O-N 3.27Å; G153-T157 PolarHBondContact O-OG1 3.35Å; I154-T157 CarbonylContact O-C 3.39Å; I154-T157 PolarHBondContact O-N 2.87Å; I154-T157 PolarHBondContact O-OG1 3Å; S155-T157 VanDerWaalsContact C-N 3.31Å; S155-T157 PolarHBondContact O-N 2.9Å; T157-F172 HydrophobicContact CG2-CE1 4.24Å; T157-F172 HydrophobicContact CG2-CE2 4.17Å; T157-F172 HydrophobicContact CG2-CZ 3.37Å
158F83.6Confident84.9Confident135 Ų13571.7 Ų71.759%0.59237%0.372SS*.SBendtrans-67-47.8-171.4-176.1-101.4000112.2I154 S155 V156I154-F158 WeakPolarHBondContact O-CA 3.48Å; I154-F158 PolarHBondContact O-N 3.07Å; S155-F158 WeakPolarHBondContact O-CB 3.44Å; S155-F158 PolarHBondContact O-N 3.15Å; V156-F158 VanDerWaalsContact C-N 3.33Å; V156-F158 PolarHBondContact O-N 3.5Å
159F81.6Confident84.6Confident99 Ų9968.7 Ų68.743%0.43435%0.354SS..SBendtrans-75.9170176.8-66.8-71.4000112.2K95 T161 Y183K95-F159 WeakPolarHBondContact CE-O 3.04Å; F159-T161 WeakPolarHBondContact O-CG2 3.37Å; F159-T161 PolarHBondContact O-N 3.05Å; F159-Y183 AromaticContact CD2-CD1 3.68Å; F159-Y183 HydrophobicContact CD2-CD1 3.68Å; F159-Y183 AromaticContact CD2-CE1 3.52Å; F159-Y183 HydrophobicContact CD2-CE1 3.52Å; F159-Y183 HydrophobicContact CD2-CE2 4.48Å; F159-Y183 HydrophobicContact CD2-CG 4.23Å; F159-Y183 AromaticContact CD2-CZ 3.95Å; F159-Y183 AromaticContact CE2-CD1 3.66Å; F159-Y183 HydrophobicContact CE2-CD1 3.66Å; F159-Y183 AromaticContact CE2-CD2 3.79Å; F159-Y183 HydrophobicContact CE2-CD2 3.79Å; F159-Y183 AromaticContact CE2-CE1 3.55Å; F159-Y183 HydrophobicContact CE2-CE1 3.55Å; F159-Y183 AromaticContact CE2-CE2 3.68Å; F159-Y183 HydrophobicContact CE2-CE2 3.68Å; F159-Y183 AromaticContact CE2-CG 3.76Å; F159-Y183 HydrophobicContact CE2-CG 3.76Å; F159-Y183 AromaticContact CE2-CZ 3.54Å
160S77.2Confident84.3Confident68 Ų6870 Ų7048%0.47636%0.362SS..  trans-55.9128.6175.4-171.40000110.2
161T81.3Confident84.1Confident2 Ų267.6 Ų67.61%0.01235%0.348CS..  trans-102.6-3-176.456.80000112.1D91 C94 K95 F159 F172D91-T161 PolarHBondContact OD1-N 3.4Å; D91-T161 PolarHBondContact OD1-OG1 2.92Å; C94-T161 WeakPolarHBondContact CB-OG1 3.46Å; C94-T161 PolarHBondContact SG-OG1 2.86Å; K95-T161 HydrophobicContact CG-CG2 3.69Å; K95-T161 WeakPolarHBondContact CG-OG1 3.44Å; F159-T161 WeakPolarHBondContact O-CG2 3.37Å; F159-T161 PolarHBondContact O-N 3.05Å; T161-F172 HydrophobicContact CG2-CD2 4.29Å; T161-F172 HydrophobicContact CG2-CE1 4.16Å; T161-F172 HydrophobicContact CG2-CE2 3.5Å; T161-F172 VanDerWaalsContact CG2-CE2 3.5Å; T161-F172 HydrophobicContact CG2-CZ 3.39Å; T161-F172 PolarHBondContact O-N 3.05Å
162I86.2Confident83.6Confident50 Ų5068.1 Ų68.126%0.25634%0.339SS..EExtended strand (participates in β ladder)trans-104.6147.9176.961.6168.1000111.3D91 C94 T169 T170D91-I162 HydrophobicContact CB-CD1 3.85Å; D91-I162 HydrophobicContact CB-CG1 3.95Å; D91-I162 HydrophobicContact CB-CG2 4.27Å; D91-I162 PolarHBondContact OD1-N 3.49Å; C94-I162 HydrophobicContact CB-CG2 3.83Å; I162-T169 HydrophobicContact CB-CG2 3.93Å; I162-T169 HydrophobicContact CD1-CG2 4.41Å; I162-T169 HydrophobicContact CG2-CG2 4.23Å; I162-T170 WeakPolarHBondContact CA-O 3.36Å
163N83.7Confident83.2Confident45 Ų4569.2 Ų69.224%0.24134%0.339CS..EExtended strand (participates in β ladder)trans-132.2124.6169.3-165-27000109T169 T170 G174N163-T169 WeakPolarHBondContact O-CA 3.2Å; N163-T170 PolarHBondContact N-O 3.48Å; N163-T170 PolarHBondContact O-N 2.9Å; N163-T170 PolarHBondContact O-OG1 3.39Å; N163-G174 PolarHBondContact ND2-O 3.32Å
164S82.4Confident82.4Confident85 Ų8571.6 Ų71.659%0.59436%0.364SS*.EExtended strand (participates in β ladder)trans-101.2111.5178.6-66.30000109.3A168 T169S164-A168 WeakPolarHBondContact CA-O 3.34Å; S164-T169 PolarHBondContact OG-OG1 3.4Å; S164-T169 VanDerWaalsContact OG-OG1 3.12Å
165R76.4Confident81.8Confident177 Ų17769.1 Ų69.167%0.66835%0.35SS*.EExtended strand (participates in β ladder)trans-127.1130.8173.5-72.8-167.9177-148-1.2110.1R167 A168R165-R167 VanDerWaalsContact C-N 3.32Å; R165-R167 PolarHBondContact O-N 2.99Å; R165-R167 VanDerWaalsContact O-N 3.14Å; R165-A168 PolarHBondContact N-O 2.87Å; R165-A168 PolarHBondContact O-N 3.25Å; R165-A168 VanDerWaalsContact O-O 3.08Å
166H63.8Low81.2Confident188 Ų18870.1 Ų70.187%0.8736%0.357SS*.THydrogen-bonded Turntrans44.350.1170.9-55.5-71.1000114.6A168H166-A168 VanDerWaalsContact C-N 3.32Å; H166-A168 PolarHBondContact O-N 3.38Å
167R75.9Confident80.7Confident255 Ų25576.7 Ų76.796%0.96238%0.383SS*.THydrogen-bonded Turntrans732.9180-52.5-179.6178.7176.3-0.4117.2R165R165-R167 VanDerWaalsContact C-N 3.32Å; R165-R167 PolarHBondContact O-N 2.99Å; R165-R167 VanDerWaalsContact O-N 3.14Å
168A84.1Confident80.4Confident36 Ų3681.8 Ų81.830%0.29841%0.41SS..EExtended strand (participates in β ladder)trans-110.8136.9170.100000110.7S164 R165 H166S164-A168 WeakPolarHBondContact CA-O 3.34Å; R165-A168 PolarHBondContact N-O 2.87Å; R165-A168 PolarHBondContact O-N 3.25Å; R165-A168 VanDerWaalsContact O-O 3.08Å; H166-A168 VanDerWaalsContact C-N 3.32Å; H166-A168 PolarHBondContact O-N 3.38Å
169T88.1Confident80.3Confident30 Ų3077.5 Ų77.518%0.18440%0.395CS..EExtended strand (participates in β ladder)trans-104.3120.9173.5-60.70000109.1N86 W87 I162 N163 S164N86-T169 PolarHBondContact OD1-N 3.02Å; W87-T169 HydrophobicContact CB-CG2 4.4Å; W87-T169 WeakPolarHBondContact CB-O 3.29Å; W87-T169 PolarHBondContact N-O 3.43Å; I162-T169 HydrophobicContact CB-CG2 3.93Å; I162-T169 HydrophobicContact CD1-CG2 4.41Å; I162-T169 HydrophobicContact CG2-CG2 4.23Å; N163-T169 WeakPolarHBondContact O-CA 3.2Å; S164-T169 PolarHBondContact OG-OG1 3.4Å; S164-T169 VanDerWaalsContact OG-OG1 3.12Å
170T88.5Confident80.3Confident33 Ų3374 Ų7420%0.20238%0.379CS..EExtended strand (participates in β ladder)trans-93.7151.2173.561.10000110.7I162 N163 E173I162-T170 WeakPolarHBondContact CA-O 3.36Å; N163-T170 PolarHBondContact N-O 3.48Å; N163-T170 PolarHBondContact O-N 2.9Å; N163-T170 PolarHBondContact O-OG1 3.39Å; T170-E173 PolarHBondContact OG1-O 3.42Å; T170-E173 VanDerWaalsContact OG1-O 3.14Å
171C89.1Confident80.5Confident1 Ų177 Ų771%0.00738%0.383CS..EExtended strand (participates in β ladder)trans-123.7124.8178.1166.90000110.4W87 C94 E173W87-C171 HydrophobicContact CB-CB 3.88Å; W87-C171 HydrophobicContact CD2-CB 3.48Å; W87-C171 VanDerWaalsContact CD2-CB 3.48Å; W87-C171 HydrophobicContact CE3-CB 3.65Å; W87-C171 HydrophobicContact CG-CB 3.54Å; W87-C171 HydrophobicContact CZ3-CB 4.48Å; C94-C171 WeakPolarHBondContact CA-SG 3.35Å; C94-C171 HydrophobicContact CB-CB 3.98Å; C94-C171 WeakPolarHBondContact CB-SG 3.36Å; C94-C171 WeakPolarHBondContact SG-CA 3.26Å; C94-C171 WeakPolarHBondContact SG-CB 3.22Å; C94-C171 CovalentContact SG-SG 2.03Å; C94-C171 PolarHBondContact SG-SG 2.88Å; C171-E173 PolarHBondContact O-N 3.37Å
172F83.7Confident80.4Confident50 Ų5080.6 Ų80.622%0.21941%0.406CS..SBendtrans60.620.2-172.7-91.3-85.5000114.8C94 V156 T157 T161 F175C94-F172 VanDerWaalsContact O-CE2 3.32Å; C94-F172 WeakPolarHBondContact O-CE2 3.39Å; V156-F172 HydrophobicContact CG1-CE1 4.46Å; T157-F172 HydrophobicContact CG2-CE1 4.24Å; T157-F172 HydrophobicContact CG2-CE2 4.17Å; T157-F172 HydrophobicContact CG2-CZ 3.37Å; T161-F172 HydrophobicContact CG2-CD2 4.29Å; T161-F172 HydrophobicContact CG2-CE1 4.16Å; T161-F172 HydrophobicContact CG2-CE2 3.5Å; T161-F172 VanDerWaalsContact CG2-CE2 3.5Å; T161-F172 HydrophobicContact CG2-CZ 3.39Å; T161-F172 PolarHBondContact O-N 3.05Å; F172-F175 HydrophobicContact CD1-CE2 4.08Å; F172-F175 AromaticContact CD1-CZ 3.99Å; F172-F175 HydrophobicContact CD1-CZ 3.99Å; F172-F175 HydrophobicContact CE1-CZ 4.25Å
173E80.3Confident80.3Confident43 Ų4381.1 Ų81.120%0.20141%0.405CS..  trans-131.6153.9177.9-68.5-175.1-117.400110.6K21 Y81 T170 C171K21-E173 IonicContact NZ-OE2 3.33Å; K21-E173 PolarHBondContact NZ-OE2 2.77Å; Y81-E173 WeakPolarHBondContact CE1-OE1 3.5Å; Y81-E173 PolarHBondContact OH-OE1 2.7Å; T170-E173 PolarHBondContact OG1-O 3.42Å; T170-E173 VanDerWaalsContact OG1-O 3.14Å; C171-E173 PolarHBondContact O-N 3.37Å
174G72.8Confident80.3Confident50 Ų5079.3 Ų79.352%0.51540%0.395SS..  trans77.522.6174.500000115.2N163N163-G174 PolarHBondContact ND2-O 3.32Å
175F77.8Confident80.3Confident37 Ų3775.4 Ų75.416%0.16237%0.368CS..  trans-56.2139.5171.7-65.2-77.3000111.6F172 W180 L184F172-F175 HydrophobicContact CD1-CE2 4.08Å; F172-F175 AromaticContact CD1-CZ 3.99Å; F172-F175 HydrophobicContact CD1-CZ 3.99Å; F172-F175 HydrophobicContact CE1-CZ 4.25Å; F175-W180 HydrophobicContact CB-CE3 4.43Å; F175-W180 HydrophobicContact CD2-CE3 4.47Å; F175-W180 HydrophobicContact CD2-CZ3 4.42Å; F175-L184 HydrophobicContact CB-CD1 4.06Å; F175-L184 HydrophobicContact CD1-CD1 3.83Å; F175-L184 HydrophobicContact CD2-CD1 3.99Å; F175-L184 HydrophobicContact CE1-CD1 4.24Å; F175-L184 HydrophobicContact CE2-CD1 4.39Å; F175-L184 HydrophobicContact CG-CD1 3.69Å
176S77.4Confident80.8Confident60 Ų6073.7 Ų73.742%0.4237%0.365SS..  trans-60149.9178.587.60000111.4N178 T179 W180S176-N178 PolarHBondContact O-N 2.96Å; S176-T179 PolarHBondContact O-N 3.24Å; S176-T179 WeakPolarHBondContact OG-CB 3.13Å; S176-T179 PolarHBondContact OG-N 3.39Å; S176-T179 PolarHBondContact OG-OG1 3.32Å; S176-W180 PolarHBondContact O-N 2.94Å
177K75.4Confident81.9Confident159 Ų15966.1 Ų66.169%0.69133%0.331SS*.Hα-helixtrans-55.5-39.9176.6-70.4-174.9179.7-179.10111.5W180 K181K177-W180 PolarHBondContact O-N 3.17Å; K177-K181 WeakPolarHBondContact O-CB 3.24Å; K177-K181 PolarHBondContact O-N 3.04Å
178N78.6Confident82.4Confident114 Ų11454.8 Ų54.861%0.6129%0.29SS*.Hα-helixtrans-66.7-46.3179.2-171.138.6000112.1S176 W180 K181 T182S176-N178 PolarHBondContact O-N 2.96Å; N178-W180 VanDerWaalsContact C-N 3.29Å; N178-W180 PolarHBondContact O-N 3.41Å; N178-K181 PolarHBondContact O-N 3.35Å; N178-T182 VanDerWaalsContact O-CB 3.22Å; N178-T182 WeakPolarHBondContact O-CB 3.22Å; N178-T182 PolarHBondContact O-N 2.98Å; N178-T182 PolarHBondContact O-OG1 2.94Å; N178-T182 VanDerWaalsContact O-OG1 3.12Å; N178-T182 PolarHBondContact OD1-OG1 2.97Å; N178-T182 VanDerWaalsContact OD1-OG1 3.12Å
179T81.5Confident82.5Confident45 Ų4555.3 Ų55.328%0.27629%0.287SS..Hα-helixtrans-59.3-42.6175.9-52.40000111.1S176 Y183 L184S176-T179 PolarHBondContact O-N 3.24Å; S176-T179 WeakPolarHBondContact OG-CB 3.13Å; S176-T179 PolarHBondContact OG-N 3.39Å; S176-T179 PolarHBondContact OG-OG1 3.32Å; T179-Y183 WeakPolarHBondContact O-CB 3.32Å; T179-Y183 PolarHBondContact O-N 2.81Å; T179-Y183 VanDerWaalsContact O-N 3.16Å; T179-L184 HydrophobicContact CG2-CD1 4.21Å; T179-L184 HydrophobicContact CG2-CG 4.41Å; T179-L184 PolarHBondContact O-N 2.67Å; T179-L184 VanDerWaalsContact O-N 3.16Å
180W81.4Confident82.5Confident27 Ų2760.3 Ų60.310%0.10231%0.307CS..Iπ-helixtrans-64.8-50.1178.4-167.2-88.4000112.2F175 S176 K177 N178 L184 S185 Y255 R259F175-W180 HydrophobicContact CB-CE3 4.43Å; F175-W180 HydrophobicContact CD2-CE3 4.47Å; F175-W180 HydrophobicContact CD2-CZ3 4.42Å; S176-W180 PolarHBondContact O-N 2.94Å; K177-W180 PolarHBondContact O-N 3.17Å; N178-W180 VanDerWaalsContact C-N 3.29Å; N178-W180 PolarHBondContact O-N 3.41Å; W180-L184 HydrophobicContact CD2-CB 4.26Å; W180-L184 HydrophobicContact CD2-CD1 4.45Å; W180-L184 HydrophobicContact CE3-CB 3.95Å; W180-L184 HydrophobicContact CE3-CD1 3.52Å; W180-L184 HydrophobicContact CE3-CG 4.39Å; W180-L184 HydrophobicContact CZ3-CB 4.3Å; W180-L184 HydrophobicContact CZ3-CD1 3.93Å; W180-L184 PolarHBondContact O-N 3.11Å; W180-S185 VanDerWaalsContact O-CB 3.23Å; W180-S185 WeakPolarHBondContact O-CB 3.41Å; W180-S185 PolarHBondContact O-N 3.47Å; W180-S185 PolarHBondContact O-OG 2.88Å; W180-Y255 HydrophobicContact CH2-CD1 4.2Å; W180-Y255 AromaticContact CH2-CE1 3.81Å; W180-Y255 HydrophobicContact CH2-CE1 3.81Å; W180-Y255 AromaticContact CZ2-CD1 3.76Å; W180-Y255 HydrophobicContact CZ2-CD1 3.76Å; W180-Y255 AromaticContact CZ2-CE1 3.61Å; W180-Y255 HydrophobicContact CZ2-CE1 3.61Å; W180-R259 VanDerWaalsContact CD1-CB 3.45Å; W180-R259 HydrophobicContact CG-CB 4.44Å
181K81.3Confident82.5Confident129 Ų12959.9 Ų59.956%0.56130%0.303SS*.Iπ-helixtrans-69.5-39.4-175.5-170.3174.7-177.9176.90112.8K177 N178 S185K177-K181 WeakPolarHBondContact O-CB 3.24Å; K177-K181 PolarHBondContact O-N 3.04Å; N178-K181 PolarHBondContact O-N 3.35Å; K181-S185 PolarHBondContact O-OG 2.99Å
182T79.9Confident82.4Confident78 Ų7860 Ų6048%0.47930%0.304SS..Iπ-helixtrans-85.6-32.7-171.6-58.40000112.8N178N178-T182 VanDerWaalsContact O-CB 3.22Å; N178-T182 WeakPolarHBondContact O-CB 3.22Å; N178-T182 PolarHBondContact O-N 2.98Å; N178-T182 PolarHBondContact O-OG1 2.94Å; N178-T182 VanDerWaalsContact O-OG1 3.12Å; N178-T182 PolarHBondContact OD1-OG1 2.97Å; N178-T182 VanDerWaalsContact OD1-OG1 3.12Å
183Y83.8Confident82.5Confident61 Ų6161.7 Ų61.724%0.23931%0.314CS..Iπ-helixtrans-122.8-64.6-171.7-175.6-103.1000113.3S155 F159 T179 S185 K186 I187S155-Y183 PolarHBondContact O-OH 2.79Å; F159-Y183 AromaticContact CD2-CD1 3.68Å; F159-Y183 HydrophobicContact CD2-CD1 3.68Å; F159-Y183 AromaticContact CD2-CE1 3.52Å; F159-Y183 HydrophobicContact CD2-CE1 3.52Å; F159-Y183 HydrophobicContact CD2-CE2 4.48Å; F159-Y183 HydrophobicContact CD2-CG 4.23Å; F159-Y183 AromaticContact CD2-CZ 3.95Å; F159-Y183 AromaticContact CE2-CD1 3.66Å; F159-Y183 HydrophobicContact CE2-CD1 3.66Å; F159-Y183 AromaticContact CE2-CD2 3.79Å; F159-Y183 HydrophobicContact CE2-CD2 3.79Å; F159-Y183 AromaticContact CE2-CE1 3.55Å; F159-Y183 HydrophobicContact CE2-CE1 3.55Å; F159-Y183 AromaticContact CE2-CE2 3.68Å; F159-Y183 HydrophobicContact CE2-CE2 3.68Å; F159-Y183 AromaticContact CE2-CG 3.76Å; F159-Y183 HydrophobicContact CE2-CG 3.76Å; F159-Y183 AromaticContact CE2-CZ 3.54Å; T179-Y183 WeakPolarHBondContact O-CB 3.32Å; T179-Y183 PolarHBondContact O-N 2.81Å; T179-Y183 VanDerWaalsContact O-N 3.16Å; Y183-S185 VanDerWaalsContact C-N 3.34Å; Y183-S185 PolarHBondContact O-N 3.33Å; Y183-K186 PolarHBondContact O-N 2.76Å; Y183-I187 HydrophobicContact CD1-CD1 3.89Å; Y183-I187 HydrophobicContact CD2-CD1 3.87Å; Y183-I187 HydrophobicContact CE1-CD1 3.36Å; Y183-I187 HydrophobicContact CE2-CD1 3.36Å; Y183-I187 HydrophobicContact CG-CD1 4.13Å; Y183-I187 PolarHBondContact O-N 3.43Å; Y183-I187 WeakPolarHBondContact OH-CD1 3.34Å
184L83.6Confident82.8Confident7 Ų763.2 Ų63.24%0.03733%0.326CS..Iπ-helixtrans-64.8-36.8-168.7-64.3171000112.6V156 F175 T179 W180 T188V156-L184 HydrophobicContact CG1-CD2 4.46Å; F175-L184 HydrophobicContact CB-CD1 4.06Å; F175-L184 HydrophobicContact CD1-CD1 3.83Å; F175-L184 HydrophobicContact CD2-CD1 3.99Å; F175-L184 HydrophobicContact CE1-CD1 4.24Å; F175-L184 HydrophobicContact CE2-CD1 4.39Å; F175-L184 HydrophobicContact CG-CD1 3.69Å; T179-L184 HydrophobicContact CG2-CD1 4.21Å; T179-L184 HydrophobicContact CG2-CG 4.41Å; T179-L184 PolarHBondContact O-N 2.67Å; T179-L184 VanDerWaalsContact O-N 3.16Å; W180-L184 HydrophobicContact CD2-CB 4.26Å; W180-L184 HydrophobicContact CD2-CD1 4.45Å; W180-L184 HydrophobicContact CE3-CB 3.95Å; W180-L184 HydrophobicContact CE3-CD1 3.52Å; W180-L184 HydrophobicContact CE3-CG 4.39Å; W180-L184 HydrophobicContact CZ3-CB 4.3Å; W180-L184 HydrophobicContact CZ3-CD1 3.93Å; W180-L184 PolarHBondContact O-N 3.11Å; L184-T188 WeakPolarHBondContact O-CB 3.12Å; L184-T188 PolarHBondContact O-N 2.92Å; L184-T188 PolarHBondContact O-OG1 2.95Å
185S83.9Confident83.5Confident4 Ų461.5 Ų61.53%0.02831%0.309CS..Hα-helixtrans-61.3-46.117865.90000112W180 K181 Y183 T188 I189W180-S185 VanDerWaalsContact O-CB 3.23Å; W180-S185 WeakPolarHBondContact O-CB 3.41Å; W180-S185 PolarHBondContact O-N 3.47Å; W180-S185 PolarHBondContact O-OG 2.88Å; K181-S185 PolarHBondContact O-OG 2.99Å; Y183-S185 VanDerWaalsContact C-N 3.34Å; Y183-S185 PolarHBondContact O-N 3.33Å; S185-T188 PolarHBondContact O-N 2.95Å; S185-I189 WeakPolarHBondContact O-CB 3.3Å; S185-I189 WeakPolarHBondContact O-CD1 3.33Å; S185-I189 WeakPolarHBondContact O-CG1 3.49Å; S185-I189 PolarHBondContact O-N 3.47Å
186K86.4Confident84.1Confident140 Ų14060.5 Ų60.561%0.60930%0.304SS*.Hα-helixtrans-65-44.9-178.6-64-178.4-176.6173.50111.1Y183 F190Y183-K186 PolarHBondContact O-N 2.76Å; K186-F190 WeakPolarHBondContact O-CB 3.23Å; K186-F190 PolarHBondContact O-N 3.35Å
187I86.6Confident84.7Confident30 Ų3061.3 Ų61.315%0.15430%0.303CS..Hα-helixtrans-65.6-46.6177.1-69.8174.1000110.6V156 Y183 I189 F190 I191V156-I187 HydrophobicContact CG2-CG2 3.63Å; Y183-I187 HydrophobicContact CD1-CD1 3.89Å; Y183-I187 HydrophobicContact CD2-CD1 3.87Å; Y183-I187 HydrophobicContact CE1-CD1 3.36Å; Y183-I187 HydrophobicContact CE2-CD1 3.36Å; Y183-I187 HydrophobicContact CG-CD1 4.13Å; Y183-I187 PolarHBondContact O-N 3.43Å; Y183-I187 WeakPolarHBondContact OH-CD1 3.34Å; I187-I189 PolarHBondContact O-N 2.92Å; I187-F190 PolarHBondContact O-N 3.48Å; I187-I191 HydrophobicContact CG2-CD1 3.52Å; I187-I191 HydrophobicContact CG2-CG1 4.17Å; I187-I191 WeakPolarHBondContact O-CB 3.23Å; I187-I191 VanDerWaalsContact O-CG1 3.26Å; I187-I191 WeakPolarHBondContact O-CG1 3.4Å; I187-I191 PolarHBondContact O-N 3.01Å
188T85.8Confident85.5Confident17 Ų1760 Ų6010%0.10430%0.298CS..Hα-helixtrans-58.6-50.2178.2-57.10000110.1L184 S185 F190 I191 E192 L252 A256L184-T188 WeakPolarHBondContact O-CB 3.12Å; L184-T188 PolarHBondContact O-N 2.92Å; L184-T188 PolarHBondContact O-OG1 2.95Å; S185-T188 PolarHBondContact O-N 2.95Å; T188-F190 VanDerWaalsContact C-N 3.33Å; T188-F190 PolarHBondContact O-N 2.74Å; T188-I191 PolarHBondContact O-N 3.18Å; T188-E192 HydrophobicContact CG2-CG 4.17Å; T188-E192 WeakPolarHBondContact O-CB 3.35Å; T188-E192 WeakPolarHBondContact O-CG 3.42Å; T188-E192 PolarHBondContact O-N 3.33Å; T188-L252 HydrophobicContact CG2-CD1 3.96Å; T188-L252 HydrophobicContact CG2-CD2 4.16Å; T188-L252 HydrophobicContact CG2-CG 3.79Å; T188-A256 HydrophobicContact CG2-CB 4.38Å
189I86.2Confident86.2Confident46 Ų4654.6 Ų54.624%0.23627%0.269CS..Hα-helixtrans-59.4-43.6178.5-70.5165.5000111.4S185 I187 E192 I193 F253 A256S185-I189 WeakPolarHBondContact O-CB 3.3Å; S185-I189 WeakPolarHBondContact O-CD1 3.33Å; S185-I189 WeakPolarHBondContact O-CG1 3.49Å; S185-I189 PolarHBondContact O-N 3.47Å; I187-I189 PolarHBondContact O-N 2.92Å; I189-E192 PolarHBondContact O-N 3.34Å; I189-I193 HydrophobicContact CG2-CD1 3.66Å; I189-I193 HydrophobicContact CG2-CG1 4.4Å; I189-I193 WeakPolarHBondContact O-CB 3.42Å; I189-I193 VanDerWaalsContact O-CG1 3.25Å; I189-I193 WeakPolarHBondContact O-CG1 3.39Å; I189-I193 PolarHBondContact O-N 2.84Å; I189-F253 HydrophobicContact CG1-CD2 4.45Å; I189-F253 HydrophobicContact CG1-CE2 4.31Å; I189-F253 HydrophobicContact CG2-CE2 4.31Å; I189-A256 HydrophobicContact CG1-CB 4.35Å
190F88.8Confident86.7Confident135 Ų13554 Ų5459%0.59226%0.264SS*.Hα-helixtrans-62.1-46.7177.1175.8-97.2000112.1K186 I187 T188 E192 I193 V194K186-F190 WeakPolarHBondContact O-CB 3.23Å; K186-F190 PolarHBondContact O-N 3.35Å; I187-F190 PolarHBondContact O-N 3.48Å; T188-F190 VanDerWaalsContact C-N 3.33Å; T188-F190 PolarHBondContact O-N 2.74Å; F190-E192 VanDerWaalsContact C-N 3.34Å; F190-I193 PolarHBondContact O-N 3.04Å; F190-V194 HydrophobicContact CD2-CG2 4.15Å; F190-V194 HydrophobicContact CE1-CG2 4.47Å; F190-V194 HydrophobicContact CE2-CG2 3.78Å; F190-V194 HydrophobicContact CZ-CG2 3.96Å; F190-V194 WeakPolarHBondContact O-CB 3.47Å; F190-V194 WeakPolarHBondContact O-CG2 3.46Å; F190-V194 PolarHBondContact O-N 3.15Å
191I87.5Confident87.3Confident24 Ų2457.9 Ų57.912%0.12329%0.286CS..Hα-helixtrans-66.1-36.4178.2-64.3173.7000110.8Y106 V156 I187 T188 G195Y106-I191 HydrophobicContact CD1-CG2 4.2Å; Y106-I191 HydrophobicContact CD2-CG2 4.25Å; Y106-I191 HydrophobicContact CE1-CG2 3.58Å; Y106-I191 HydrophobicContact CE2-CG2 3.67Å; Y106-I191 HydrophobicContact CG-CG2 4.49Å; Y106-I191 WeakPolarHBondContact OH-CG2 3.29Å; V156-I191 HydrophobicContact CG2-CD1 3.64Å; I187-I191 HydrophobicContact CG2-CD1 3.52Å; I187-I191 HydrophobicContact CG2-CG1 4.17Å; I187-I191 WeakPolarHBondContact O-CB 3.23Å; I187-I191 VanDerWaalsContact O-CG1 3.26Å; I187-I191 WeakPolarHBondContact O-CG1 3.4Å; I187-I191 PolarHBondContact O-N 3.01Å; T188-I191 PolarHBondContact O-N 3.18Å; I191-G195 CarbonylContact O-C 3.6Å; I191-G195 WeakPolarHBondContact O-CA 3.49Å; I191-G195 PolarHBondContact O-N 3.38Å
192E87.8Confident87.9Confident5 Ų552.7 Ų52.72%0.02327%0.267CS..Iπ-helixtrans-66.6-44.9175.6-72.5-62.4151.200111.5Y106 T188 I189 F190 F196 L197 N249 L252 F253Y106-E192 PolarHBondContact OH-OE1 3.44Å; T188-E192 HydrophobicContact CG2-CG 4.17Å; T188-E192 WeakPolarHBondContact O-CB 3.35Å; T188-E192 WeakPolarHBondContact O-CG 3.42Å; T188-E192 PolarHBondContact O-N 3.33Å; I189-E192 PolarHBondContact O-N 3.34Å; F190-E192 VanDerWaalsContact C-N 3.34Å; E192-F196 VanDerWaalsContact O-CB 3.28Å; E192-F196 WeakPolarHBondContact O-CB 3.4Å; E192-F196 PolarHBondContact O-N 3.05Å; E192-F196 VanDerWaalsContact O-N 3.14Å; E192-L197 PolarHBondContact O-N 2.97Å; E192-N249 PolarHBondContact OE1-OD1 2.96Å; E192-N249 WeakPolarHBondContact OE2-CA 3.4Å; E192-N249 WeakPolarHBondContact OE2-CB 3.2Å; E192-N249 PolarHBondContact OE2-OD1 3.11Å; E192-L252 WeakPolarHBondContact OE1-CD2 3.34Å; E192-F253 HydrophobicContact CB-CD2 4.43Å; E192-F253 HydrophobicContact CG-CB 4.44Å
193I85.8Confident88.4Confident85 Ų8549 Ų4944%0.43625%0.245SC..Iπ-helixtrans-65.3-49.1179-68.6169000110.6I189 F190 L197I189-I193 HydrophobicContact CG2-CD1 3.66Å; I189-I193 HydrophobicContact CG2-CG1 4.4Å; I189-I193 WeakPolarHBondContact O-CB 3.42Å; I189-I193 VanDerWaalsContact O-CG1 3.25Å; I189-I193 WeakPolarHBondContact O-CG1 3.39Å; I189-I193 PolarHBondContact O-N 2.84Å; F190-I193 PolarHBondContact O-N 3.04Å; I193-L197 HydrophobicContact CG2-CD1 4.36Å; I193-L197 VanDerWaalsContact O-CB 3.25Å; I193-L197 WeakPolarHBondContact O-CB 3.5Å; I193-L197 PolarHBondContact O-N 2.64Å
194V87.4Confident88.8Confident74 Ų7449.5 Ų49.545%0.44825%0.251SS..Iπ-helixtrans-85.9-45.4-174.2-179.70000111.6F190 F198F190-V194 HydrophobicContact CD2-CG2 4.15Å; F190-V194 HydrophobicContact CE1-CG2 4.47Å; F190-V194 HydrophobicContact CE2-CG2 3.78Å; F190-V194 HydrophobicContact CZ-CG2 3.96Å; F190-V194 WeakPolarHBondContact O-CB 3.47Å; F190-V194 WeakPolarHBondContact O-CG2 3.46Å; F190-V194 PolarHBondContact O-N 3.15Å; V194-F198 VanDerWaalsContact O-CB 3.29Å; V194-F198 WeakPolarHBondContact O-CB 3.36Å
195G86.6Confident89.2Confident15 Ų1553 Ų5316%0.15527%0.272CS..Iπ-helixtrans-79.8-20.9-17500000114.8I191 P199I191-G195 CarbonylContact O-C 3.6Å; I191-G195 WeakPolarHBondContact O-CA 3.49Å; I191-G195 PolarHBondContact O-N 3.38Å; G195-P199 WeakPolarHBondContact O-CD 3.4Å; G195-P199 WeakPolarHBondContact O-CG 3.21Å
196F90.1Very high89.6Confident15 Ų1553.4 Ų53.47%0.06628%0.275CS..Iπ-helixtrans-111.1-48.7176.6164.7-104.8000113.6M109 E192 F198 P199 L200 F241 V246 N249M109-F196 HydrophobicContact SD-CB 4.47Å; M109-F196 HydrophobicContact SD-CD2 3.9Å; E192-F196 VanDerWaalsContact O-CB 3.28Å; E192-F196 WeakPolarHBondContact O-CB 3.4Å; E192-F196 PolarHBondContact O-N 3.05Å; E192-F196 VanDerWaalsContact O-N 3.14Å; F196-F198 PolarHBondContact O-N 3.44Å; F196-P199 WeakPolarHBondContact O-CD 3.33Å; F196-L200 HydrophobicContact CE1-CD2 4.24Å; F196-L200 HydrophobicContact CE2-CD2 4.47Å; F196-L200 HydrophobicContact CZ-CD2 3.88Å; F196-L200 VanDerWaalsContact O-CB 3.31Å; F196-L200 WeakPolarHBondContact O-CB 3.43Å; F196-L200 PolarHBondContact O-N 3.3Å; F196-F241 HydrophobicContact CE2-CE1 4.23Å; F196-V246 HydrophobicContact CE2-CB 4.35Å; F196-V246 HydrophobicContact CE2-CG2 3.86Å; F196-V246 HydrophobicContact CZ-CB 4.18Å; F196-V246 HydrophobicContact CZ-CG1 4.19Å; F196-V246 HydrophobicContact CZ-CG2 3.88Å; F196-N249 HydrophobicContact CB-CB 4.11Å; F196-N249 HydrophobicContact CD1-CB 3.83Å; F196-N249 HydrophobicContact CD2-CB 3.65Å; F196-N249 HydrophobicContact CE1-CB 4.12Å; F196-N249 HydrophobicContact CE2-CB 3.96Å; F196-N249 HydrophobicContact CG-CB 3.57Å; F196-N249 HydrophobicContact CZ-CB 4.18Å
197L90.9Very high89.7Confident77 Ų7747.1 Ų47.140%0.40325%0.249SC..Iπ-helixtrans-66.8-39.8-177.1-59.4175.1000112.7E192 I193 L200 L201E192-L197 PolarHBondContact O-N 2.97Å; I193-L197 HydrophobicContact CG2-CD1 4.36Å; I193-L197 VanDerWaalsContact O-CB 3.25Å; I193-L197 WeakPolarHBondContact O-CB 3.5Å; I193-L197 PolarHBondContact O-N 2.64Å; L197-L200 PolarHBondContact O-N 3.47Å; L197-L201 WeakPolarHBondContact O-CB 3.26Å; L197-L201 VanDerWaalsContact O-CG 3.27Å; L197-L201 WeakPolarHBondContact O-CG 3.09Å; L197-L201 PolarHBondContact O-N 3.22Å
198F91.9Very high89.8Confident133 Ų13348.5 Ų48.558%0.58326%0.262SS*.Hα-helixtrans-62.9-50.6178.1169.7-90.2000111.9V194 F196 L200 L201 A202V194-F198 VanDerWaalsContact O-CB 3.29Å; V194-F198 WeakPolarHBondContact O-CB 3.36Å; F196-F198 PolarHBondContact O-N 3.44Å; F198-L200 VanDerWaalsContact C-N 3.35Å; F198-L200 PolarHBondContact O-N 3.49Å; F198-L201 PolarHBondContact O-N 2.99Å; F198-A202 VanDerWaalsContact O-CB 3.27Å; F198-A202 WeakPolarHBondContact O-CB 3.45Å; F198-A202 PolarHBondContact O-N 3.43Å
199P92.7Very high90Very high0 Ų050.5 Ų50.50%027%0.271CS..Hα-helixtrans-58.2-42.2173.2-33.444000113.6M109 L110 T113 G195 F196 A202 N203 F241M109-P199 HydrophobicContact CB-CB 4.28Å; L110-P199 HydrophobicContact CD2-CG 3.75Å; T113-P199 WeakPolarHBondContact OG1-CB 3.18Å; G195-P199 WeakPolarHBondContact O-CD 3.4Å; G195-P199 WeakPolarHBondContact O-CG 3.21Å; F196-P199 WeakPolarHBondContact O-CD 3.33Å; P199-A202 PolarHBondContact O-N 2.97Å; P199-N203 WeakPolarHBondContact O-CB 3.35Å; P199-N203 PolarHBondContact O-N 3.04Å; P199-N203 PolarHBondContact O-ND2 3.29Å; P199-F241 HydrophobicContact CB-CE2 4.05Å; P199-F241 HydrophobicContact CB-CZ 3.94Å
200L92.6Very high89.9Confident33 Ų3348.4 Ų48.417%0.17326%0.261CS..Hα-helixtrans-59.5-53.1178.3177.166000111.3F196 L197 F198 A202 N203 L204 F241 V246F196-L200 HydrophobicContact CE1-CD2 4.24Å; F196-L200 HydrophobicContact CE2-CD2 4.47Å; F196-L200 HydrophobicContact CZ-CD2 3.88Å; F196-L200 VanDerWaalsContact O-CB 3.31Å; F196-L200 WeakPolarHBondContact O-CB 3.43Å; F196-L200 PolarHBondContact O-N 3.3Å; L197-L200 PolarHBondContact O-N 3.47Å; F198-L200 VanDerWaalsContact C-N 3.35Å; F198-L200 PolarHBondContact O-N 3.49Å; L200-A202 PolarHBondContact O-N 3.19Å; L200-N203 PolarHBondContact O-N 3.28Å; L200-L204 HydrophobicContact CD1-CD1 4.09Å; L200-L204 HydrophobicContact CD1-CG 4.35Å; L200-L204 HydrophobicContact CG-CD1 4.06Å; L200-L204 VanDerWaalsContact O-CG 3.31Å; L200-L204 WeakPolarHBondContact O-CG 3.33Å; L200-L204 PolarHBondContact O-N 3.48Å; L200-F241 HydrophobicContact CB-CE1 3.87Å; L200-F241 HydrophobicContact CB-CZ 4.21Å; L200-F241 HydrophobicContact CD1-CD1 4.04Å; L200-F241 HydrophobicContact CD1-CE1 3.63Å; L200-F241 HydrophobicContact CG-CE1 4.36Å; L200-V246 HydrophobicContact CD1-CG2 4.17Å
201L93.8Very high89.8Confident107 Ų10744.4 Ų44.456%0.5625%0.245SC*.Hα-helixtrans-62.7-42.9-179.8-69.3174.1000111.6L197 F198 N203 L204 V205L197-L201 WeakPolarHBondContact O-CB 3.26Å; L197-L201 VanDerWaalsContact O-CG 3.27Å; L197-L201 WeakPolarHBondContact O-CG 3.09Å; L197-L201 PolarHBondContact O-N 3.22Å; F198-L201 PolarHBondContact O-N 2.99Å; L201-N203 PolarHBondContact O-N 2.86Å; L201-L204 PolarHBondContact O-N 2.82Å; L201-V205 WeakPolarHBondContact O-CB 3.17Å; L201-V205 VanDerWaalsContact O-CG2 3.3Å; L201-V205 WeakPolarHBondContact O-CG2 3.48Å; L201-V205 PolarHBondContact O-N 2.82Å
202A93.1Very high89.7Confident20 Ų2051.6 Ų51.617%0.16527%0.271CS..Hα-helixtrans-59.7-46.1177.200000111.7T113 F198 P199 L200 C206T113-A202 HydrophobicContact CG2-CB 3.61Å; F198-A202 VanDerWaalsContact O-CB 3.27Å; F198-A202 WeakPolarHBondContact O-CB 3.45Å; F198-A202 PolarHBondContact O-N 3.43Å; P199-A202 PolarHBondContact O-N 2.97Å; L200-A202 PolarHBondContact O-N 3.19Å; A202-C206 VanDerWaalsContact O-CB 3.23Å; A202-C206 WeakPolarHBondContact O-CB 3.25Å; A202-C206 PolarHBondContact O-N 3.39Å; A202-C206 PolarHBondContact O-SG 3.43Å
203N91.4Very high89.4Confident1 Ų153.2 Ų53.21%0.00528%0.281CS..Hα-helixtrans-63.8-43.6176.8-80.6-74.3000112.3T113 S116 P199 L200 L201 S207 L238T113-N203 PolarHBondContact OG1-ND2 3.34Å; S116-N203 WeakPolarHBondContact CB-OD1 3.21Å; S116-N203 PolarHBondContact OG-OD1 3.43Å; P199-N203 WeakPolarHBondContact O-CB 3.35Å; P199-N203 PolarHBondContact O-N 3.04Å; P199-N203 PolarHBondContact O-ND2 3.29Å; L200-N203 PolarHBondContact O-N 3.28Å; L201-N203 PolarHBondContact O-N 2.86Å; N203-S207 WeakPolarHBondContact O-CB 3.31Å; N203-S207 PolarHBondContact O-N 2.85Å; N203-S207 PolarHBondContact O-OG 3.42Å; N203-L238 HydrophobicContact CB-CD2 4.11Å
204L91.9Very high89.2Confident71 Ų7150.6 Ų50.637%0.37227%0.267SS..Hα-helixtrans-62.6-46.8178.7-72.2174000111.8L200 L201 S208 L238L200-L204 HydrophobicContact CD1-CD1 4.09Å; L200-L204 HydrophobicContact CD1-CG 4.35Å; L200-L204 HydrophobicContact CG-CD1 4.06Å; L200-L204 VanDerWaalsContact O-CG 3.31Å; L200-L204 WeakPolarHBondContact O-CG 3.33Å; L200-L204 PolarHBondContact O-N 3.48Å; L201-L204 PolarHBondContact O-N 2.82Å; L204-S208 VanDerWaalsContact O-CB 3.22Å; L204-S208 WeakPolarHBondContact O-CB 3.44Å; L204-S208 PolarHBondContact O-N 2.95Å; L204-S208 PolarHBondContact O-OG 3.46Å; L204-L238 HydrophobicContact CD2-CD2 4.45Å
205V92.8Very high88.8Confident80 Ų8056 Ų5649%0.48528%0.28SS..Hα-helixtrans-65.3-51.2178.8172.10000110.7L201 S207 S208 L209L201-V205 WeakPolarHBondContact O-CB 3.17Å; L201-V205 VanDerWaalsContact O-CG2 3.3Å; L201-V205 WeakPolarHBondContact O-CG2 3.48Å; L201-V205 PolarHBondContact O-N 2.82Å; V205-S207 VanDerWaalsContact C-N 3.34Å; V205-S207 PolarHBondContact O-N 2.73Å; V205-S208 PolarHBondContact O-N 3.34Å; V205-L209 HydrophobicContact CG1-CD1 3.82Å; V205-L209 HydrophobicContact CG1-CG 4.34Å; V205-L209 WeakPolarHBondContact O-CG 3.3Å; V205-L209 PolarHBondContact O-N 2.93Å
206C91Very high88.4Confident13 Ų1363.7 Ų63.79%0.08830%0.304CS..Hα-helixtrans-57.5-48.6-180-70.70000111.2F120 A202 S208 L209 V210F120-C206 HydrophobicContact CB-CB 3.94Å; F120-C206 HydrophobicContact CG-CB 4.35Å; A202-C206 VanDerWaalsContact O-CB 3.23Å; A202-C206 WeakPolarHBondContact O-CB 3.25Å; A202-C206 PolarHBondContact O-N 3.39Å; A202-C206 PolarHBondContact O-SG 3.43Å; C206-S208 VanDerWaalsContact C-N 3.35Å; C206-S208 PolarHBondContact O-N 3.33Å; C206-L209 PolarHBondContact O-N 2.89Å; C206-V210 VanDerWaalsContact O-CG2 3.3Å; C206-V210 WeakPolarHBondContact O-CG2 3.1Å; C206-V210 PolarHBondContact O-N 2.88Å
207S88.5Confident87.1Confident8 Ų869.5 Ų69.56%0.05634%0.344CS..Hα-helixtrans-63.6-40.8-179.8-59.50000112.1N203 V205 L211N203-S207 WeakPolarHBondContact O-CB 3.31Å; N203-S207 PolarHBondContact O-N 2.85Å; N203-S207 PolarHBondContact O-OG 3.42Å; V205-S207 VanDerWaalsContact C-N 3.34Å; V205-S207 PolarHBondContact O-N 2.73Å; S207-L211 VanDerWaalsContact O-CB 3.27Å; S207-L211 WeakPolarHBondContact O-CB 3.44Å; S207-L211 PolarHBondContact O-N 3.44Å
208S89.6Confident85.5Confident60 Ų6070.8 Ų70.842%0.4235%0.354SS..Hα-helixtrans-64.2-43.5177.3-63.10000112.2L204 V205 C206 L211 R212L204-S208 VanDerWaalsContact O-CB 3.22Å; L204-S208 WeakPolarHBondContact O-CB 3.44Å; L204-S208 PolarHBondContact O-N 2.95Å; L204-S208 PolarHBondContact O-OG 3.46Å; V205-S208 PolarHBondContact O-N 3.34Å; C206-S208 VanDerWaalsContact C-N 3.35Å; C206-S208 PolarHBondContact O-N 3.33Å; S208-L211 PolarHBondContact O-N 2.96Å; S208-R212 WeakPolarHBondContact O-CB 3.31Å; S208-R212 VanDerWaalsContact O-CG 3.29Å; S208-R212 WeakPolarHBondContact O-CG 3.34Å; S208-R212 PolarHBondContact O-N 3.27Å
209L88.7Confident83.4Confident59 Ų5970 Ų7031%0.30937%0.365SS..Hα-helixtrans-68.1-41.6179.1-67.9175.5000111.9F120 V205 C206 R212 T213F120-L209 HydrophobicContact CD2-CB 3.95Å; F120-L209 HydrophobicContact CD2-CD1 4.34Å; F120-L209 HydrophobicContact CE2-CB 3.65Å; F120-L209 HydrophobicContact CE2-CD1 3.49Å; F120-L209 VanDerWaalsContact CE2-CD1 3.49Å; F120-L209 HydrophobicContact CE2-CG 4.22Å; F120-L209 HydrophobicContact CZ-CD1 3.81Å; V205-L209 HydrophobicContact CG1-CD1 3.82Å; V205-L209 HydrophobicContact CG1-CG 4.34Å; V205-L209 WeakPolarHBondContact O-CG 3.3Å; V205-L209 PolarHBondContact O-N 2.93Å; C206-L209 PolarHBondContact O-N 2.89Å; L209-R212 PolarHBondContact O-N 3.45Å; L209-T213 WeakPolarHBondContact O-CB 3.49Å; L209-T213 PolarHBondContact O-N 3.2Å; L209-T213 PolarHBondContact O-OG1 3.45Å
210V85.6Confident81.3Confident2 Ų275.4 Ų75.41%0.01241%0.41CS..Hα-helixtrans-61.9-46.5173.8176.90000110.7F120 I123 V124 C206 R212 T213 L214 V230 I234F120-V210 VanDerWaalsContact CA-CG2 3.49Å; F120-V210 HydrophobicContact CB-CG2 3.87Å; F120-V210 HydrophobicContact CD2-CG2 4.11Å; I123-V210 HydrophobicContact CD1-CG1 3.69Å; I123-V210 HydrophobicContact CD1-CG2 4.47Å; I123-V210 HydrophobicContact CG2-CG1 4.25Å; V124-V210 HydrophobicContact CG2-CG2 4.23Å; C206-V210 VanDerWaalsContact O-CG2 3.3Å; C206-V210 WeakPolarHBondContact O-CG2 3.1Å; C206-V210 PolarHBondContact O-N 2.88Å; V210-R212 PolarHBondContact O-N 2.95Å; V210-T213 WeakPolarHBondContact O-CB 3.27Å; V210-T213 PolarHBondContact O-N 3.02Å; V210-T213 VanDerWaalsContact O-N 3.1Å; V210-L214 HydrophobicContact CG1-CD1 3.69Å; V210-L214 HydrophobicContact CG1-CG 4.08Å; V210-L214 VanDerWaalsContact O-CG 3.28Å; V210-L214 WeakPolarHBondContact O-CG 3.34Å; V210-L214 PolarHBondContact O-N 2.9Å; V210-V230 HydrophobicContact CG1-CG1 4.13Å; V210-I234 HydrophobicContact CB-CD1 3.74Å; V210-I234 HydrophobicContact CG1-CD1 3.29Å; V210-I234 HydrophobicContact CG2-CD1 4.44Å
211L85.2Confident79.2Confident50 Ų5076.8 Ų76.826%0.26243%0.432SS..Hα-helixtrans-60.2-44.5178.5-177.259.7000112.2S207 S208 T213 L214 R215 L231S207-L211 VanDerWaalsContact O-CB 3.27Å; S207-L211 WeakPolarHBondContact O-CB 3.44Å; S207-L211 PolarHBondContact O-N 3.44Å; S208-L211 PolarHBondContact O-N 2.96Å; L211-T213 VanDerWaalsContact C-N 3.27Å; L211-T213 PolarHBondContact O-N 3.3Å; L211-L214 PolarHBondContact O-N 3.15Å; L211-R215 HydrophobicContact CD1-CG 4.46Å; L211-R215 WeakPolarHBondContact O-CB 3.39Å; L211-R215 VanDerWaalsContact O-CG 3.29Å; L211-R215 WeakPolarHBondContact O-CG 3.43Å; L211-R215 PolarHBondContact O-N 3.05Å; L211-L231 HydrophobicContact CD1-CD1 3.58Å
212R86.6Confident77.2Confident176 Ų17681.3 Ų81.366%0.66445%0.45SS*.Hα-helixtrans-58.5-39.9174.2-76.8177.1-178.5-171.30.9112S208 L209 V210S208-R212 WeakPolarHBondContact O-CB 3.31Å; S208-R212 VanDerWaalsContact O-CG 3.29Å; S208-R212 WeakPolarHBondContact O-CG 3.34Å; S208-R212 PolarHBondContact O-N 3.27Å; L209-R212 PolarHBondContact O-N 3.45Å; V210-R212 PolarHBondContact O-N 2.95Å
213T82.3Confident75.6Confident39 Ų3981.8 Ų81.824%0.23946%0.456CS..Hα-helixtrans-71-40.7-179-55.20000111.2I123 V124 L209 V210 L211 R215 R216I123-T213 HydrophobicContact CG2-CG2 4.36Å; V124-T213 HydrophobicContact CG2-CG2 4.44Å; L209-T213 WeakPolarHBondContact O-CB 3.49Å; L209-T213 PolarHBondContact O-N 3.2Å; L209-T213 PolarHBondContact O-OG1 3.45Å; V210-T213 WeakPolarHBondContact O-CB 3.27Å; V210-T213 PolarHBondContact O-N 3.02Å; V210-T213 VanDerWaalsContact O-N 3.1Å; L211-T213 VanDerWaalsContact C-N 3.27Å; L211-T213 PolarHBondContact O-N 3.3Å; T213-R215 VanDerWaalsContact C-N 3.32Å; T213-R215 PolarHBondContact O-N 3.29Å; T213-R216 PolarHBondContact O-N 3.25Å
214L80.3Confident74.3Confident29 Ų2985.4 Ų85.415%0.15248%0.481CS..Hα-helixtrans-67.2-31.8177.7-68171.6000113I123 V210 L211 R216 K227 V230I123-L214 HydrophobicContact CG2-CD2 4.38Å; V210-L214 HydrophobicContact CG1-CD1 3.69Å; V210-L214 HydrophobicContact CG1-CG 4.08Å; V210-L214 VanDerWaalsContact O-CG 3.28Å; V210-L214 WeakPolarHBondContact O-CG 3.34Å; V210-L214 PolarHBondContact O-N 2.9Å; L211-L214 PolarHBondContact O-N 3.15Å; L214-R216 VanDerWaalsContact C-N 3.32Å; L214-K227 HydrophobicContact CD2-CB 4.26Å; L214-K227 HydrophobicContact CD2-CG 3.83Å; L214-K227 PolarHBondContact O-NZ 2.91Å; L214-K227 VanDerWaalsContact O-NZ 3.09Å; L214-V230 HydrophobicContact CD1-CB 4.39Å; L214-V230 HydrophobicContact CD1-CG1 3.83Å
215R80Confident73.1Confident189 Ų18987.9 Ų87.971%0.71350%0.495SS*.THydrogen-bonded Turntrans-73.4-15.5177.1-74.7178.8-176.6-172.21.2114.2L211 T213L211-R215 HydrophobicContact CD1-CG 4.46Å; L211-R215 WeakPolarHBondContact O-CB 3.39Å; L211-R215 VanDerWaalsContact O-CG 3.29Å; L211-R215 WeakPolarHBondContact O-CG 3.43Å; L211-R215 PolarHBondContact O-N 3.05Å; T213-R215 VanDerWaalsContact C-N 3.32Å; T213-R215 PolarHBondContact O-N 3.29Å
216R76.7Confident72Confident176 Ų17687.8 Ų87.866%0.66450%0.497SS*.SBendtrans-64.8132.9174.6-68.1-177.3179.6-178.3-2.7109.4T213 L214 V218 K227T213-R216 PolarHBondContact O-N 3.25Å; L214-R216 VanDerWaalsContact C-N 3.32Å; R216-V218 PolarHBondContact O-N 3.28Å; R216-V218 VanDerWaalsContact O-N 3.09Å; R216-K227 PolarHBondContact O-NZ 2.88Å
217P63Low71.3Confident137 Ų13790.2 Ų90.289%0.8951%0.506SS*.  trans-63.1115.7177.125.2-31000108
218V58.8Low70.8Confident104 Ų10495.6 Ų95.663%0.6353%0.529SS*.  trans-105.6130.2169174.20000104.7R216 A220R216-V218 PolarHBondContact O-N 3.28Å; R216-V218 VanDerWaalsContact O-N 3.09Å; V218-A220 PolarHBondContact O-N 2.91Å
219S47.4Very low70.2Confident115 Ų11597 Ų9780%0.80453%0.525SS*.  trans-44.7134.4-179.1-600000111.5G221S219-G221 PolarHBondContact O-N 3.38Å; S219-G221 VanDerWaalsContact O-N 3.14Å
220A49.1Very low69.8Low115 Ų11595.8 Ų95.895%0.9552%0.52SS*.SBendtrans-53.9113.1-170.600000112.5V218V218-A220 PolarHBondContact O-N 2.91Å
221G48.2Very low69.5Low61 Ų6199 Ų9963%0.62954%0.536SS*.SBendtrans174122.5170.400000111.9S219 G223S219-G221 PolarHBondContact O-N 3.38Å; S219-G221 VanDerWaalsContact O-N 3.14Å; G221-G223 PolarHBondContact O-N 3.32Å
222H51.3Low69.4Low203 Ų203103 Ų10394%0.9455%0.548SS*.SBendtrans44.6-5.1170.1-85.7-57.3000121.3
223G58.6Low69.3Low29 Ų2994.9 Ų94.930%0.29952%0.518SS..  trans-89.6-9.9-174.200000115.4G221 D225 S226 K227G221-G223 PolarHBondContact O-N 3.32Å; G223-D225 PolarHBondContact O-N 3.22Å; G223-S226 PolarHBondContact O-N 3.03Å; G223-K227 WeakPolarHBondContact O-CB 3.28Å; G223-K227 WeakPolarHBondContact O-CG 3.44Å; G223-K227 PolarHBondContact O-N 3.32Å
224C63.8Low69.3Low78 Ų7893.6 Ų93.653%0.52751%0.51SS..Hα-helixtrans-63.3-43.6-174.2-168.30000112.4K227 K228C224-K227 PolarHBondContact O-N 3.1Å; C224-K228 WeakPolarHBondContact O-CG 3.22Å; C224-K228 PolarHBondContact O-N 3.19Å
225D67Low69.6Low122 Ų12295.8 Ų95.865%0.65252%0.524SS*.Hα-helixtrans-71.1-39.7-179.3-72.7-18.7000112.4G223 K227 K228 R229G223-D225 PolarHBondContact O-N 3.22Å; D225-K227 VanDerWaalsContact C-N 3.35Å; D225-K227 PolarHBondContact O-N 3.3Å; D225-K228 PolarHBondContact O-N 3.19Å; D225-R229 WeakPolarHBondContact O-CB 3.48Å; D225-R229 PolarHBondContact O-N 2.85Å
226S71.3Confident70Confident78 Ų7887.8 Ų87.855%0.54550%0.496SS..Hα-helixtrans-61.7-41.5172.8-63.20000111.8G223 R229 V230G223-S226 PolarHBondContact O-N 3.03Å; S226-R229 PolarHBondContact O-N 3.03Å; S226-V230 WeakPolarHBondContact O-CG2 3.35Å; S226-V230 PolarHBondContact O-N 3.47Å; S226-V230 VanDerWaalsContact O-N 3.1Å
227K76.2Confident70.3Confident64 Ų6479.5 Ų79.528%0.27847%0.465SS..Hα-helixtrans-63.2-48.4175.1-73.2-176.8177.5-163.30111.9L214 R216 G223 C224 D225 R229 V230 L231L214-K227 HydrophobicContact CD2-CB 4.26Å; L214-K227 HydrophobicContact CD2-CG 3.83Å; L214-K227 PolarHBondContact O-NZ 2.91Å; L214-K227 VanDerWaalsContact O-NZ 3.09Å; R216-K227 PolarHBondContact O-NZ 2.88Å; G223-K227 WeakPolarHBondContact O-CB 3.28Å; G223-K227 WeakPolarHBondContact O-CG 3.44Å; G223-K227 PolarHBondContact O-N 3.32Å; C224-K227 PolarHBondContact O-N 3.1Å; D225-K227 VanDerWaalsContact C-N 3.35Å; D225-K227 PolarHBondContact O-N 3.3Å; K227-R229 VanDerWaalsContact C-N 3.28Å; K227-R229 PolarHBondContact O-N 3.46Å; K227-V230 PolarHBondContact O-N 3.4Å; K227-L231 WeakPolarHBondContact O-CB 3.31Å; K227-L231 PolarHBondContact O-N 3.29Å
228K76.3Confident71.5Confident121 Ų12174.7 Ų74.753%0.52643%0.431SS..Hα-helixtrans-59.2-39.9177.9-77.1177.3-178.91750111.9C224 D225 L231 R232C224-K228 WeakPolarHBondContact O-CG 3.22Å; C224-K228 PolarHBondContact O-N 3.19Å; D225-K228 PolarHBondContact O-N 3.19Å; K228-L231 PolarHBondContact O-N 3.32Å; K228-R232 WeakPolarHBondContact O-CB 3.16Å; K228-R232 PolarHBondContact O-N 2.74Å
229R78.1Confident72.9Confident91 Ų9172.8 Ų72.834%0.34342%0.42SS..Hα-helixtrans-64.6-49.3178.3179.8-178.5162.4-153.1-3.4112.2D225 S226 K227 L231 R232 M233 T297 E299D225-R229 WeakPolarHBondContact O-CB 3.48Å; D225-R229 PolarHBondContact O-N 2.85Å; S226-R229 PolarHBondContact O-N 3.03Å; K227-R229 VanDerWaalsContact C-N 3.28Å; K227-R229 PolarHBondContact O-N 3.46Å; R229-L231 VanDerWaalsContact C-N 3.3Å; R229-L231 PolarHBondContact O-N 2.99Å; R229-R232 WeakPolarHBondContact O-CB 3.5Å; R229-R232 PolarHBondContact O-N 2.93Å; R229-M233 PolarHBondContact O-N 2.92Å; R229-T297 PolarHBondContact NH2-O 3.42Å; R229-E299 WeakPolarHBondContact CD-OE1 3.43Å; R229-E299 VanDerWaalsContact CZ-CD 3.46Å; R229-E299 IonicContact CZ-OE1 3.23Å; R229-E299 IonicContact NE-OE1 2.76Å; R229-E299 PolarHBondContact NE-OE1 3.2Å; R229-E299 IonicContact NH1-OE1 2.75Å; R229-E299 PolarHBondContact NH1-OE1 2.9Å; R229-E299 VanDerWaalsContact NH1-OE1 3.14Å; R229-E299 IonicContact NH2-OE1 2.84Å; R229-E299 PolarHBondContact NH2-OE1 3.31Å
230V79.4Confident74.9Confident32 Ų3267.9 Ų67.919%0.19439%0.385CS..Hα-helixtrans-60.2-42.8177.3169.60000110.9I123 V210 L214 S226 K227 R232 M233 I234I123-V230 HydrophobicContact CD1-CB 4.46Å; I123-V230 HydrophobicContact CD1-CG1 3.35Å; I123-V230 HydrophobicContact CD1-CG2 4.27Å; V210-V230 HydrophobicContact CG1-CG1 4.13Å; L214-V230 HydrophobicContact CD1-CB 4.39Å; L214-V230 HydrophobicContact CD1-CG1 3.83Å; S226-V230 WeakPolarHBondContact O-CG2 3.35Å; S226-V230 PolarHBondContact O-N 3.47Å; S226-V230 VanDerWaalsContact O-N 3.1Å; K227-V230 PolarHBondContact O-N 3.4Å; V230-R232 VanDerWaalsContact C-N 3.35Å; V230-R232 PolarHBondContact O-N 3.09Å; V230-M233 WeakPolarHBondContact O-CB 3.38Å; V230-M233 PolarHBondContact O-N 2.79Å; V230-I234 HydrophobicContact CG1-CD1 3.96Å; V230-I234 WeakPolarHBondContact O-CG1 3.4Å; V230-I234 PolarHBondContact O-N 3Å
231L81Confident76.9Confident69 Ų6962.5 Ų62.536%0.36134%0.34SS..Hα-helixtrans-59.5-46.3176.7-179.861.5000111.6L211 K227 K228 R229 M233 I234 V235L211-L231 HydrophobicContact CD1-CD1 3.58Å; K227-L231 WeakPolarHBondContact O-CB 3.31Å; K227-L231 PolarHBondContact O-N 3.29Å; K228-L231 PolarHBondContact O-N 3.32Å; R229-L231 VanDerWaalsContact C-N 3.3Å; R229-L231 PolarHBondContact O-N 2.99Å; L231-M233 VanDerWaalsContact C-N 3.31Å; L231-M233 PolarHBondContact O-N 3.39Å; L231-I234 PolarHBondContact O-N 3.41Å; L231-V235 HydrophobicContact CD1-CG2 4.25Å; L231-V235 HydrophobicContact CG-CG2 4.47Å; L231-V235 WeakPolarHBondContact O-CG2 3.25Å; L231-V235 PolarHBondContact O-N 3.45Å
232R83.1Confident79Confident134 Ų13463.4 Ų63.451%0.50633%0.33SS..Hα-helixtrans-58.6-44.4178.1-167.6-173.8-53.8-172.13.9111.7K228 R229 V230 V235 V236 F296K228-R232 WeakPolarHBondContact O-CB 3.16Å; K228-R232 PolarHBondContact O-N 2.74Å; R229-R232 WeakPolarHBondContact O-CB 3.5Å; R229-R232 PolarHBondContact O-N 2.93Å; V230-R232 VanDerWaalsContact C-N 3.35Å; V230-R232 PolarHBondContact O-N 3.09Å; R232-V235 PolarHBondContact O-N 2.85Å; R232-V236 WeakPolarHBondContact O-CB 3.31Å; R232-V236 WeakPolarHBondContact O-CG2 3.3Å; R232-V236 PolarHBondContact O-N 3.4Å; R232-F296 HydrophobicContact CG-CD1 3.97Å; R232-F296 HydrophobicContact CG-CE1 4.11Å; R232-F296 HydrophobicContact CG-CG 4.41Å
233M83.2Confident80.9Confident6 Ų657.8 Ų57.83%0.0331%0.306CS..Hα-helixtrans-59.7-46.8176.9-178.7-159.876.700111.9R119 R229 V230 L231 V236 H237 T297R119-M233 HydrophobicContact CB-CE 3.83Å; R119-M233 HydrophobicContact CG-CE 3.37Å; R119-M233 HydrophobicContact CG-SD 4.04Å; R119-M233 PolarHBondContact NE-SD 2.81Å; R119-M233 VanDerWaalsContact NE-SD 3.37Å; R229-M233 PolarHBondContact O-N 2.92Å; V230-M233 WeakPolarHBondContact O-CB 3.38Å; V230-M233 PolarHBondContact O-N 2.79Å; L231-M233 VanDerWaalsContact C-N 3.31Å; L231-M233 PolarHBondContact O-N 3.39Å; M233-V236 PolarHBondContact O-N 3.49Å; M233-H237 VanDerWaalsContact CG-CE1 3.43Å; M233-H237 WeakPolarHBondContact CG-CE1 3.23Å; M233-H237 PolarHBondContact O-CD2 2.03Å; M233-H237 VanDerWaalsContact O-CG 3.23Å; M233-H237 PolarHBondContact O-N 2.93Å; M233-T297 HydrophobicContact CG-CG2 4.25Å; M233-T297 WeakPolarHBondContact CG-OG1 3.46Å; M233-T297 HydrophobicContact SD-CG2 3.61Å
234I83.4Confident82.5Confident13 Ų1356.5 Ų56.57%0.06729%0.292CS..Hα-helixtrans-62.5-46.4177.9-69.2166.8000111.5V210 V230 L231 V236 H237 L238V210-I234 HydrophobicContact CB-CD1 3.74Å; V210-I234 HydrophobicContact CG1-CD1 3.29Å; V210-I234 HydrophobicContact CG2-CD1 4.44Å; V230-I234 HydrophobicContact CG1-CD1 3.96Å; V230-I234 WeakPolarHBondContact O-CG1 3.4Å; V230-I234 PolarHBondContact O-N 3Å; L231-I234 PolarHBondContact O-N 3.41Å; I234-V236 VanDerWaalsContact C-N 3.32Å; I234-V236 PolarHBondContact O-N 3.32Å; I234-H237 PolarHBondContact O-N 3.49Å; I234-L238 HydrophobicContact CG2-CD1 4.04Å; I234-L238 HydrophobicContact CG2-CG 4.41Å; I234-L238 WeakPolarHBondContact O-CB 3.4Å; I234-L238 PolarHBondContact O-N 3.46Å
235V85.9Confident83.9Confident74 Ų7452.8 Ų52.845%0.44827%0.267SS..Hα-helixtrans-60.3-44.1178.8170.20000110.5L231 R232 T239L231-V235 HydrophobicContact CD1-CG2 4.25Å; L231-V235 HydrophobicContact CG-CG2 4.47Å; L231-V235 WeakPolarHBondContact O-CG2 3.25Å; L231-V235 PolarHBondContact O-N 3.45Å; R232-V235 PolarHBondContact O-N 2.85Å; V235-T239 WeakPolarHBondContact O-CB 3.49Å; V235-T239 PolarHBondContact O-N 3.31Å; V235-T239 PolarHBondContact O-OG1 3.17Å
236V87.3Confident85.1Confident22 Ų2249 Ų4913%0.13325%0.248CC..Hα-helixtrans-61.2-48.8177.1167.90000111.1R232 M233 I234 T239 I240 V292 V293 F296R232-V236 WeakPolarHBondContact O-CB 3.31Å; R232-V236 WeakPolarHBondContact O-CG2 3.3Å; R232-V236 PolarHBondContact O-N 3.4Å; M233-V236 PolarHBondContact O-N 3.49Å; I234-V236 VanDerWaalsContact C-N 3.32Å; I234-V236 PolarHBondContact O-N 3.32Å; V236-T239 PolarHBondContact O-N 3.35Å; V236-I240 HydrophobicContact CG1-CD1 3.79Å; V236-I240 WeakPolarHBondContact O-CG1 3.37Å; V236-I240 PolarHBondContact O-N 2.92Å; V236-V292 HydrophobicContact CG1-CG1 4.01Å; V236-V293 HydrophobicContact CG1-CG2 4.47Å; V236-F296 HydrophobicContact CB-CD2 4.3Å; V236-F296 HydrophobicContact CG1-CD2 4.12Å; V236-F296 HydrophobicContact CG2-CD2 3.6Å; V236-F296 HydrophobicContact CG2-CE2 3.91Å; V236-F296 HydrophobicContact CG2-CG 4.28Å
237H83.2Confident86.2Confident2 Ų247.3 Ų47.31%0.00924%0.235CC..Hα-helixtrans-61.9-46.9-179.9-63.8171.4000112.2I115 M233 I234 T239 I240 F241 V293 T297I115-H237 VanDerWaalsContact CG2-CE1 3.49Å; I115-H237 WeakPolarHBondContact CG2-CE1 3.39Å; M233-H237 VanDerWaalsContact CG-CE1 3.43Å; M233-H237 WeakPolarHBondContact CG-CE1 3.23Å; M233-H237 PolarHBondContact O-CD2 2.03Å; M233-H237 VanDerWaalsContact O-CG 3.23Å; M233-H237 PolarHBondContact O-N 2.93Å; I234-H237 PolarHBondContact O-N 3.49Å; H237-T239 VanDerWaalsContact C-N 3.33Å; H237-T239 PolarHBondContact O-N 2.89Å; H237-I240 PolarHBondContact O-N 3.46Å; H237-F241 VanDerWaalsContact O-CB 3.32Å; H237-F241 WeakPolarHBondContact O-CB 3.43Å; H237-F241 PolarHBondContact O-N 2.84Å; H237-V293 VanDerWaalsContact CD2-CG1 3.42Å; H237-V293 WeakPolarHBondContact CD2-CG1 3.41Å; H237-V293 WeakPolarHBondContact NE2-CG1 3.42Å; H237-T297 PolarHBondContact CE1-OG1 3.26Å; H237-T297 PolarHBondContact NE2-OG1 2.97Å
238L88.2Confident87.1Confident35 Ų3544.7 Ų44.718%0.18322%0.223CC..Hα-helixtrans-62.6-41.4177.2-77.7178.8000111.9N203 L204 I234 F241 I242N203-L238 HydrophobicContact CB-CD2 4.11Å; L204-L238 HydrophobicContact CD2-CD2 4.45Å; I234-L238 HydrophobicContact CG2-CD1 4.04Å; I234-L238 HydrophobicContact CG2-CG 4.41Å; I234-L238 WeakPolarHBondContact O-CB 3.4Å; I234-L238 PolarHBondContact O-N 3.46Å; L238-F241 PolarHBondContact O-N 3.42Å; L238-I242 WeakPolarHBondContact O-CB 3.27Å; L238-I242 WeakPolarHBondContact O-CG1 3.35Å; L238-I242 PolarHBondContact O-N 3.23Å
239T89.6Confident87.8Confident64 Ų6439 Ų3939%0.39320%0.199SC..Hα-helixtrans-64.3-47.2-178.9-59.40000110.6V235 V236 H237 F241 I242 I243V235-T239 WeakPolarHBondContact O-CB 3.49Å; V235-T239 PolarHBondContact O-N 3.31Å; V235-T239 PolarHBondContact O-OG1 3.17Å; V236-T239 PolarHBondContact O-N 3.35Å; H237-T239 VanDerWaalsContact C-N 3.33Å; H237-T239 PolarHBondContact O-N 2.89Å; T239-F241 VanDerWaalsContact C-N 3.35Å; T239-I242 PolarHBondContact O-N 2.98Å; T239-I243 HydrophobicContact CG2-CD1 3.54Å; T239-I243 HydrophobicContact CG2-CG1 4.33Å; T239-I243 WeakPolarHBondContact O-CB 3.04Å; T239-I243 VanDerWaalsContact O-CG1 3.28Å; T239-I243 WeakPolarHBondContact O-CG1 3.34Å; T239-I243 PolarHBondContact O-N 3.47Å
240I89.9Confident88.4Confident13 Ų1340 Ų407%0.06721%0.206CC..Hα-helixtrans-62.3-45.3176.5-68.4168.3000110.1V236 H237 I242 I243 C244 N286 L289 V293V236-I240 HydrophobicContact CG1-CD1 3.79Å; V236-I240 WeakPolarHBondContact O-CG1 3.37Å; V236-I240 PolarHBondContact O-N 2.92Å; H237-I240 PolarHBondContact O-N 3.46Å; I240-I242 PolarHBondContact O-N 3.19Å; I240-I243 PolarHBondContact O-N 2.86Å; I240-C244 VanDerWaalsContact O-CB 3.26Å; I240-C244 WeakPolarHBondContact O-CB 3.38Å; I240-C244 PolarHBondContact O-N 3.11Å; I240-N286 WeakPolarHBondContact CG2-OD1 3.33Å; I240-L289 HydrophobicContact CD1-CB 3.99Å; I240-L289 HydrophobicContact CG1-CB 4.25Å; I240-L289 HydrophobicContact CG1-CD1 4.41Å; I240-L289 HydrophobicContact CG2-CB 4.41Å; I240-V293 HydrophobicContact CD1-CG2 3.43Å; I240-V293 VanDerWaalsContact CD1-CG2 3.43Å
241F90.1Very high89Confident2 Ų238.8 Ų38.81%0.00920%0.198CC..Iπ-helixtrans-59.6-46.5179.6-170.2-77.6000112.1M109 F196 P199 L200 H237 L238 T239 F245M109-F241 HydrophobicContact CB-CE2 3.79Å; M109-F241 HydrophobicContact CB-CZ 4.41Å; M109-F241 HydrophobicContact CG-CD2 4.33Å; M109-F241 HydrophobicContact CG-CE2 3.62Å; M109-F241 HydrophobicContact CG-CZ 4.05Å; M109-F241 HydrophobicContact SD-CE2 4.21Å; M109-F241 HydrophobicContact SD-CZ 4.01Å; F196-F241 HydrophobicContact CE2-CE1 4.23Å; P199-F241 HydrophobicContact CB-CE2 4.05Å; P199-F241 HydrophobicContact CB-CZ 3.94Å; L200-F241 HydrophobicContact CB-CE1 3.87Å; L200-F241 HydrophobicContact CB-CZ 4.21Å; L200-F241 HydrophobicContact CD1-CD1 4.04Å; L200-F241 HydrophobicContact CD1-CE1 3.63Å; L200-F241 HydrophobicContact CG-CE1 4.36Å; H237-F241 VanDerWaalsContact O-CB 3.32Å; H237-F241 WeakPolarHBondContact O-CB 3.43Å; H237-F241 PolarHBondContact O-N 2.84Å; L238-F241 PolarHBondContact O-N 3.42Å; T239-F241 VanDerWaalsContact C-N 3.35Å; F241-F245 HydrophobicContact CB-CD2 4.28Å; F241-F245 AromaticContact CD2-CD2 3.77Å; F241-F245 HydrophobicContact CD2-CD2 3.77Å; F241-F245 HydrophobicContact CD2-CE2 4.22Å; F241-F245 HydrophobicContact CE2-CD2 4.19Å; F241-F245 AromaticContact CG-CD2 3.95Å; F241-F245 HydrophobicContact CG-CD2 3.95Å; F241-F245 WeakPolarHBondContact O-CB 3.21Å; F241-F245 PolarHBondContact O-N 2.81Å
242I91.4Very high89.3Confident80 Ų8036.2 Ų36.241%0.4119%0.185SC..Iπ-helixtrans-68.1-45.3-179-69167.2000110.8L238 T239 I240 V246 P247L238-I242 WeakPolarHBondContact O-CB 3.27Å; L238-I242 WeakPolarHBondContact O-CG1 3.35Å; L238-I242 PolarHBondContact O-N 3.23Å; T239-I242 PolarHBondContact O-N 2.98Å; I240-I242 PolarHBondContact O-N 3.19Å; I242-V246 HydrophobicContact CB-CG2 4.49Å; I242-V246 HydrophobicContact CG1-CG2 4.49Å; I242-V246 WeakPolarHBondContact O-CB 3.2Å; I242-V246 PolarHBondContact O-N 3.03Å; I242-P247 WeakPolarHBondContact O-CD 3Å
243I91.8Very high89.6Confident85 Ų8533.1 Ų33.144%0.43618%0.175SC..Iπ-helixtrans-72.7-45.2-175.7-67.6175.9000111.1T239 I240 P247 L282T239-I243 HydrophobicContact CG2-CD1 3.54Å; T239-I243 HydrophobicContact CG2-CG1 4.33Å; T239-I243 WeakPolarHBondContact O-CB 3.04Å; T239-I243 VanDerWaalsContact O-CG1 3.28Å; T239-I243 WeakPolarHBondContact O-CG1 3.34Å; T239-I243 PolarHBondContact O-N 3.47Å; I240-I243 PolarHBondContact O-N 2.86Å; I243-P247 WeakPolarHBondContact O-CD 3.37Å; I243-P247 WeakPolarHBondContact O-CG 3.46Å; I243-L282 HydrophobicContact CG2-CD1 4.01Å; I243-L282 HydrophobicContact CG2-CD2 4.17Å; I243-L282 HydrophobicContact CG2-CG 4.33Å; I243-L282 WeakPolarHBondContact O-CD2 3.02Å; I243-L282 WeakPolarHBondContact O-CG 3.47Å
244C92.2Very high89.7Confident1 Ų134 Ų341%0.00718%0.179CC..Iπ-helixtrans-81.7-38.6-173.5-68.80000113.1I240 L282 A283 N286I240-C244 VanDerWaalsContact O-CB 3.26Å; I240-C244 WeakPolarHBondContact O-CB 3.38Å; I240-C244 PolarHBondContact O-N 3.11Å; C244-L282 PolarHBondContact SG-O 3.29Å; C244-A283 VanDerWaalsContact O-CA 3.23Å; C244-A283 WeakPolarHBondContact O-CA 3.46Å; C244-A283 WeakPolarHBondContact O-CB 3.13Å; C244-N286 HydrophobicContact CB-CB 4.18Å
245F93.1Very high89.6Confident0 Ų035.2 Ų35.20%018%0.184CC..Iπ-helixtrans-102.6-41.6-169.9-54.1-57.1000113.8I105 M109 L112 F241 Y248 N249 N286I105-F245 HydrophobicContact CG2-CD1 4.39Å; M109-F245 HydrophobicContact CE-CB 3.87Å; M109-F245 HydrophobicContact CE-CD1 3.73Å; M109-F245 HydrophobicContact CE-CG 3.87Å; M109-F245 HydrophobicContact CG-CB 4.1Å; M109-F245 HydrophobicContact CG-CD1 3.9Å; M109-F245 HydrophobicContact CG-CD2 3.52Å; M109-F245 HydrophobicContact CG-CE1 4.19Å; M109-F245 HydrophobicContact CG-CE2 3.88Å; M109-F245 HydrophobicContact CG-CG 3.55Å; M109-F245 HydrophobicContact CG-CZ 4.18Å; M109-F245 HydrophobicContact SD-CB 3.85Å; M109-F245 HydrophobicContact SD-CD1 4.37Å; M109-F245 HydrophobicContact SD-CD2 4.38Å; M109-F245 HydrophobicContact SD-CG 3.95Å; L112-F245 HydrophobicContact CD1-CE2 3.84Å; L112-F245 HydrophobicContact CD1-CZ 4.47Å; F241-F245 HydrophobicContact CB-CD2 4.28Å; F241-F245 AromaticContact CD2-CD2 3.77Å; F241-F245 HydrophobicContact CD2-CD2 3.77Å; F241-F245 HydrophobicContact CD2-CE2 4.22Å; F241-F245 HydrophobicContact CE2-CD2 4.19Å; F241-F245 AromaticContact CG-CD2 3.95Å; F241-F245 HydrophobicContact CG-CD2 3.95Å; F241-F245 WeakPolarHBondContact O-CB 3.21Å; F241-F245 PolarHBondContact O-N 2.81Å; F245-Y248 PolarHBondContact O-N 2.88Å; F245-N249 WeakPolarHBondContact O-CB 3.32Å; F245-N249 PolarHBondContact O-N 2.89Å; F245-N249 PolarHBondContact O-ND2 2.73Å; F245-N286 HydrophobicContact CE1-CB 4.08Å; F245-N286 HydrophobicContact CZ-CB 3.87Å; F245-N286 VanDerWaalsContact CZ-OD1 3.28Å; F245-N286 WeakPolarHBondContact CZ-OD1 3.4Å
246V93.2Very high89.5Confident43 Ų4331.7 Ų31.726%0.26116%0.162SC..Hα-helixtrans-59.4-46.5-173.7177.10000112.7F196 L200 I242 Y248 F250F196-V246 HydrophobicContact CE2-CB 4.35Å; F196-V246 HydrophobicContact CE2-CG2 3.86Å; F196-V246 HydrophobicContact CZ-CB 4.18Å; F196-V246 HydrophobicContact CZ-CG1 4.19Å; F196-V246 HydrophobicContact CZ-CG2 3.88Å; L200-V246 HydrophobicContact CD1-CG2 4.17Å; I242-V246 HydrophobicContact CB-CG2 4.49Å; I242-V246 HydrophobicContact CG1-CG2 4.49Å; I242-V246 WeakPolarHBondContact O-CB 3.2Å; I242-V246 PolarHBondContact O-N 3.03Å; V246-Y248 VanDerWaalsContact C-N 3.34Å; V246-Y248 PolarHBondContact O-N 3.47Å; V246-F250 WeakPolarHBondContact O-CB 3.42Å; V246-F250 PolarHBondContact O-N 3.47Å
247P94.3Very high89.3Confident42 Ų4232.5 Ų32.527%0.27317%0.166SC..Hα-helixtrans-63.7-38.6-179.4-23.834.8000112.9I242 I243 L251 T279 L282I242-P247 WeakPolarHBondContact O-CD 3Å; I243-P247 WeakPolarHBondContact O-CD 3.37Å; I243-P247 WeakPolarHBondContact O-CG 3.46Å; P247-L251 WeakPolarHBondContact O-CB 3.47Å; P247-L251 WeakPolarHBondContact O-CG 3.47Å; P247-L251 PolarHBondContact O-N 3.22Å; P247-T279 HydrophobicContact CB-CG2 3.5Å; P247-T279 VanDerWaalsContact CB-CG2 3.5Å; P247-L282 HydrophobicContact CG-CD2 4.33Å
248Y93.8Very high89.1Confident9 Ų932.5 Ų32.54%0.03517%0.166CC..Hα-helixtrans-68.2-54-179.5168.2-107.7000111.8F101 I105 F245 V246 F250 L251 L252 Y276 L280 A283F101-Y248 WeakPolarHBondContact CE1-OH 3.4Å; I105-Y248 HydrophobicContact CD1-CD1 3.84Å; I105-Y248 HydrophobicContact CD1-CE1 3.5Å; I105-Y248 HydrophobicContact CG2-CD1 4.39Å; I105-Y248 HydrophobicContact CG2-CE1 4.16Å; F245-Y248 PolarHBondContact O-N 2.88Å; V246-Y248 VanDerWaalsContact C-N 3.34Å; V246-Y248 PolarHBondContact O-N 3.47Å; Y248-F250 VanDerWaalsContact C-N 3.35Å; Y248-F250 PolarHBondContact O-N 2.97Å; Y248-L251 PolarHBondContact O-N 3.44Å; Y248-L252 HydrophobicContact CE1-CD2 4.12Å; Y248-L252 HydrophobicContact CE2-CD2 4.39Å; Y248-L252 WeakPolarHBondContact O-CB 3.49Å; Y248-L252 PolarHBondContact O-N 2.76Å; Y248-L252 WeakPolarHBondContact OH-CD2 3.42Å; Y248-Y276 HydrophobicContact CD2-CE2 4.26Å; Y248-Y276 HydrophobicContact CE2-CD2 4.47Å; Y248-Y276 AromaticContact CE2-CE2 3.65Å; Y248-Y276 HydrophobicContact CE2-CE2 3.65Å; Y248-L280 HydrophobicContact CD2-CB 4.33Å; Y248-L280 HydrophobicContact CD2-CD1 3.87Å; Y248-L280 HydrophobicContact CE2-CB 4.43Å; Y248-L280 HydrophobicContact CE2-CD1 3.23Å; Y248-L280 HydrophobicContact CE2-CG 4.43Å; Y248-A283 HydrophobicContact CD1-CB 4.3Å; Y248-A283 HydrophobicContact CG-CB 4.03Å
249N92.4Very high88.5Confident1 Ų134.1 Ų34.11%0.00517%0.169CC..Hα-helixtrans-63.6-41.2-177.7-73.2-79.7000111.3M109 E192 F196 F245 L251 L252 F253M109-N249 WeakPolarHBondContact CE-ND2 3.45Å; E192-N249 PolarHBondContact OE1-OD1 2.96Å; E192-N249 WeakPolarHBondContact OE2-CA 3.4Å; E192-N249 WeakPolarHBondContact OE2-CB 3.2Å; E192-N249 PolarHBondContact OE2-OD1 3.11Å; F196-N249 HydrophobicContact CB-CB 4.11Å; F196-N249 HydrophobicContact CD1-CB 3.83Å; F196-N249 HydrophobicContact CD2-CB 3.65Å; F196-N249 HydrophobicContact CE1-CB 4.12Å; F196-N249 HydrophobicContact CE2-CB 3.96Å; F196-N249 HydrophobicContact CG-CB 3.57Å; F196-N249 HydrophobicContact CZ-CB 4.18Å; F245-N249 WeakPolarHBondContact O-CB 3.32Å; F245-N249 PolarHBondContact O-N 2.89Å; F245-N249 PolarHBondContact O-ND2 2.73Å; N249-L251 PolarHBondContact O-N 3.01Å; N249-L252 PolarHBondContact O-N 2.82Å; N249-F253 WeakPolarHBondContact O-CB 3.27Å; N249-F253 PolarHBondContact O-N 3.2Å
250F90.8Very high87.8Confident114 Ų11432.3 Ų32.350%0.516%0.158SC..Hα-helixtrans-58.4-48174176.9-104.3000112.3V246 Y248 F253 L254V246-F250 WeakPolarHBondContact O-CB 3.42Å; V246-F250 PolarHBondContact O-N 3.47Å; Y248-F250 VanDerWaalsContact C-N 3.35Å; Y248-F250 PolarHBondContact O-N 2.97Å; F250-F253 PolarHBondContact O-N 2.92Å; F250-L254 HydrophobicContact CE1-CD1 3.77Å; F250-L254 HydrophobicContact CZ-CD1 3.86Å; F250-L254 WeakPolarHBondContact O-CB 3.33Å; F250-L254 PolarHBondContact O-N 3.18Å
251L91.1Very high87Confident6 Ų637.5 Ų37.53%0.03118%0.183CC..Hα-helixtrans-71.7-32.2179.7-73.5173.5000113P247 Y248 N249 L254 Y255 F271 L275 T279P247-L251 WeakPolarHBondContact O-CB 3.47Å; P247-L251 WeakPolarHBondContact O-CG 3.47Å; P247-L251 PolarHBondContact O-N 3.22Å; Y248-L251 PolarHBondContact O-N 3.44Å; N249-L251 PolarHBondContact O-N 3.01Å; L251-L254 PolarHBondContact O-N 3.33Å; L251-Y255 WeakPolarHBondContact O-CB 3.45Å; L251-Y255 PolarHBondContact O-N 3.44Å; L251-F271 HydrophobicContact CD2-CD1 4.2Å; L251-F271 HydrophobicContact CD2-CE1 3.8Å; L251-L275 HydrophobicContact CD1-CB 3.39Å; L251-L275 HydrophobicContact CD1-CD1 4.4Å; L251-L275 HydrophobicContact CD2-CB 4.33Å; L251-T279 HydrophobicContact CD1-CG2 3.44Å; L251-T279 VanDerWaalsContact CD1-CG2 3.44Å; L251-T279 WeakPolarHBondContact CD1-OG1 3.46Å
252L88.4Confident86.2Confident15 Ų1540.6 Ų40.68%0.07921%0.208CC..Hα-helixtrans-65.5-42.8173.9179.352000110.9T188 E192 Y248 N249 Y255 A256 Y276T188-L252 HydrophobicContact CG2-CD1 3.96Å; T188-L252 HydrophobicContact CG2-CD2 4.16Å; T188-L252 HydrophobicContact CG2-CG 3.79Å; E192-L252 WeakPolarHBondContact OE1-CD2 3.34Å; Y248-L252 HydrophobicContact CE1-CD2 4.12Å; Y248-L252 HydrophobicContact CE2-CD2 4.39Å; Y248-L252 WeakPolarHBondContact O-CB 3.49Å; Y248-L252 PolarHBondContact O-N 2.76Å; Y248-L252 WeakPolarHBondContact OH-CD2 3.42Å; N249-L252 PolarHBondContact O-N 2.82Å; L252-Y255 PolarHBondContact O-N 2.92Å; L252-A256 WeakPolarHBondContact O-CB 3.07Å; L252-A256 PolarHBondContact O-N 2.67Å; L252-Y276 HydrophobicContact CB-CE2 4.16Å; L252-Y276 HydrophobicContact CD1-CE2 3.93Å
253F87.9Confident85.2Confident69 Ų6940.5 Ų40.530%0.30321%0.208SC..Hα-helixtrans-60.7-47172.4179.9-101.7000111.9I189 E192 N249 F250 Y255 A256 L257I189-F253 HydrophobicContact CG1-CD2 4.45Å; I189-F253 HydrophobicContact CG1-CE2 4.31Å; I189-F253 HydrophobicContact CG2-CE2 4.31Å; E192-F253 HydrophobicContact CB-CD2 4.43Å; E192-F253 HydrophobicContact CG-CB 4.44Å; N249-F253 WeakPolarHBondContact O-CB 3.27Å; N249-F253 PolarHBondContact O-N 3.2Å; F250-F253 PolarHBondContact O-N 2.92Å; F253-Y255 VanDerWaalsContact C-N 3.33Å; F253-Y255 PolarHBondContact O-N 3.29Å; F253-A256 WeakPolarHBondContact O-CB 3.1Å; F253-A256 PolarHBondContact O-N 2.92Å; F253-L257 HydrophobicContact CD1-CD1 4.04Å; F253-L257 HydrophobicContact CE1-CD1 3.47Å; F253-L257 VanDerWaalsContact CE1-CD1 3.47Å; F253-L257 HydrophobicContact CE1-CG 4.2Å; F253-L257 HydrophobicContact CZ-CD1 3.87Å; F253-L257 HydrophobicContact CZ-CD2 4.43Å; F253-L257 HydrophobicContact CZ-CG 4.28Å; F253-L257 PolarHBondContact O-N 2.84Å; F253-L257 VanDerWaalsContact O-N 3.09Å
254L85.8Confident84.2Confident23 Ų2340 Ų4012%0.1222%0.217CC..Hα-helixtrans-60.6-43.7177.1-131.8172.8000111.5F250 L251 A256 L257 V258 L263 V268F250-L254 HydrophobicContact CE1-CD1 3.77Å; F250-L254 HydrophobicContact CZ-CD1 3.86Å; F250-L254 WeakPolarHBondContact O-CB 3.33Å; F250-L254 PolarHBondContact O-N 3.18Å; L251-L254 PolarHBondContact O-N 3.33Å; L254-A256 VanDerWaalsContact C-N 3.34Å; L254-A256 PolarHBondContact O-N 2.8Å; L254-L257 PolarHBondContact O-N 2.65Å; L254-V258 HydrophobicContact CD2-CG2 4.14Å; L254-V258 WeakPolarHBondContact O-CG2 3.07Å; L254-V258 PolarHBondContact O-N 3.41Å; L254-L263 HydrophobicContact CD2-CD1 4.34Å; L254-V268 HydrophobicContact CD2-CG1 3.33Å
255Y82.3Confident83.6Confident40 Ų4044.2 Ų44.216%0.15724%0.239CC..Hα-helixtrans-62.2-40.2176.4-178.1-104.5000111.9W180 L251 L252 F253 L257 V258 R259 R273W180-Y255 HydrophobicContact CH2-CD1 4.2Å; W180-Y255 AromaticContact CH2-CE1 3.81Å; W180-Y255 HydrophobicContact CH2-CE1 3.81Å; W180-Y255 AromaticContact CZ2-CD1 3.76Å; W180-Y255 HydrophobicContact CZ2-CD1 3.76Å; W180-Y255 AromaticContact CZ2-CE1 3.61Å; W180-Y255 HydrophobicContact CZ2-CE1 3.61Å; L251-Y255 WeakPolarHBondContact O-CB 3.45Å; L251-Y255 PolarHBondContact O-N 3.44Å; L252-Y255 PolarHBondContact O-N 2.92Å; F253-Y255 VanDerWaalsContact C-N 3.33Å; F253-Y255 PolarHBondContact O-N 3.29Å; Y255-L257 VanDerWaalsContact C-N 3.34Å; Y255-L257 PolarHBondContact O-N 2.91Å; Y255-V258 PolarHBondContact O-N 2.96Å; Y255-R259 HydrophobicContact CD1-CG 4.18Å; Y255-R259 HydrophobicContact CD2-CG 4.23Å; Y255-R259 HydrophobicContact CE1-CG 3.9Å; Y255-R259 HydrophobicContact CE2-CG 3.94Å; Y255-R259 HydrophobicContact CG-CG 4.35Å; Y255-R259 VanDerWaalsContact O-CB 3.28Å; Y255-R259 WeakPolarHBondContact O-CB 3.33Å; Y255-R259 WeakPolarHBondContact O-CG 3.41Å; Y255-R259 PolarHBondContact O-N 3.14Å; Y255-R259 PolarHBondContact OH-NH1 3.45Å; Y255-R273 HydrophobicContact CE2-CG 4.25Å
256A82.9Confident83Confident0 Ų046.2 Ų46.20%025%0.253CS..Hα-helixtrans-60.8-42174.300000111.9T188 I189 L252 F253 L254 T260T188-A256 HydrophobicContact CG2-CB 4.38Å; I189-A256 HydrophobicContact CG1-CB 4.35Å; L252-A256 WeakPolarHBondContact O-CB 3.07Å; L252-A256 PolarHBondContact O-N 2.67Å; F253-A256 WeakPolarHBondContact O-CB 3.1Å; F253-A256 PolarHBondContact O-N 2.92Å; L254-A256 VanDerWaalsContact C-N 3.34Å; L254-A256 PolarHBondContact O-N 2.8Å; A256-T260 WeakPolarHBondContact O-CG2 3.15Å; A256-T260 PolarHBondContact O-N 3.39Å; A256-T260 VanDerWaalsContact O-N 3.1Å; A256-T260 PolarHBondContact O-OG1 3.14Å
257L82.2Confident82.6Confident39 Ų3947.5 Ų47.520%0.20427%0.268CS..Hα-helixtrans-68-41.6178.2-68.1179.3000113.7F253 L254 Y255 R259 T260 Q261 A262 L263F253-L257 HydrophobicContact CD1-CD1 4.04Å; F253-L257 HydrophobicContact CE1-CD1 3.47Å; F253-L257 VanDerWaalsContact CE1-CD1 3.47Å; F253-L257 HydrophobicContact CE1-CG 4.2Å; F253-L257 HydrophobicContact CZ-CD1 3.87Å; F253-L257 HydrophobicContact CZ-CD2 4.43Å; F253-L257 HydrophobicContact CZ-CG 4.28Å; F253-L257 PolarHBondContact O-N 2.84Å; F253-L257 VanDerWaalsContact O-N 3.09Å; L254-L257 PolarHBondContact O-N 2.65Å; Y255-L257 VanDerWaalsContact C-N 3.34Å; Y255-L257 PolarHBondContact O-N 2.91Å; L257-R259 VanDerWaalsContact C-N 3.35Å; L257-T260 PolarHBondContact O-N 3.05Å; L257-T260 PolarHBondContact O-OG1 2.84Å; L257-Q261 PolarHBondContact O-N 3.31Å; L257-A262 HydrophobicContact CD2-CB 4.33Å; L257-A262 PolarHBondContact O-N 2.79Å; L257-A262 VanDerWaalsContact O-N 3.11Å; L257-L263 HydrophobicContact CB-CD1 3.93Å; L257-L263 HydrophobicContact CB-CG 4.32Å; L257-L263 HydrophobicContact CD1-CD1 3.81Å; L257-L263 PolarHBondContact O-N 3.47Å
258V80.6Confident82Confident2 Ų247.6 Ų47.61%0.01227%0.268CS..Hα-helixtrans-62.8-45.9175.7170.10000109.9L254 Y255 T260 Q261 L263 V268 E269L254-V258 HydrophobicContact CD2-CG2 4.14Å; L254-V258 WeakPolarHBondContact O-CG2 3.07Å; L254-V258 PolarHBondContact O-N 3.41Å; Y255-V258 PolarHBondContact O-N 2.96Å; V258-T260 VanDerWaalsContact C-N 3.3Å; V258-T260 PolarHBondContact O-N 2.97Å; V258-Q261 PolarHBondContact O-N 3.26Å; V258-L263 HydrophobicContact CG2-CB 4.49Å; V258-V268 HydrophobicContact CG2-CG1 3.89Å; V258-E269 HydrophobicContact CG1-CB 3.67Å; V258-E269 HydrophobicContact CG1-CG 3.82Å
259R75.9Confident81.4Confident68 Ų6848.5 Ų48.526%0.25727%0.272SS..Hα-helixtrans-69.6-23.1-177.7-71.2-72.9-60.2-111-2.4114W180 Y255 L257 Q261W180-R259 VanDerWaalsContact CD1-CB 3.45Å; W180-R259 HydrophobicContact CG-CB 4.44Å; Y255-R259 HydrophobicContact CD1-CG 4.18Å; Y255-R259 HydrophobicContact CD2-CG 4.23Å; Y255-R259 HydrophobicContact CE1-CG 3.9Å; Y255-R259 HydrophobicContact CE2-CG 3.94Å; Y255-R259 HydrophobicContact CG-CG 4.35Å; Y255-R259 VanDerWaalsContact O-CB 3.28Å; Y255-R259 WeakPolarHBondContact O-CB 3.33Å; Y255-R259 WeakPolarHBondContact O-CG 3.41Å; Y255-R259 PolarHBondContact O-N 3.14Å; Y255-R259 PolarHBondContact OH-NH1 3.45Å; L257-R259 VanDerWaalsContact C-N 3.35Å; R259-Q261 VanDerWaalsContact C-N 3.27Å
260T74.6Confident81.1Confident26 Ų2655.5 Ų55.516%0.1630%0.299CS..THydrogen-bonded Turntrans-83.5-1.7171.852.90000113.4A256 L257 V258 A262A256-T260 WeakPolarHBondContact O-CG2 3.15Å; A256-T260 PolarHBondContact O-N 3.39Å; A256-T260 VanDerWaalsContact O-N 3.1Å; A256-T260 PolarHBondContact O-OG1 3.14Å; L257-T260 PolarHBondContact O-N 3.05Å; L257-T260 PolarHBondContact O-OG1 2.84Å; V258-T260 VanDerWaalsContact C-N 3.3Å; V258-T260 PolarHBondContact O-N 2.97Å; T260-A262 PolarHBondContact O-N 3.12Å
261Q72.8Confident80.9Confident123 Ų12355.1 Ų55.158%0.57530%0.297SS*.THydrogen-bonded Turntrans62.620.4-172.6-57.7-74.7-59.200113L257 V258 R259 L263L257-Q261 PolarHBondContact O-N 3.31Å; V258-Q261 PolarHBondContact O-N 3.26Å; R259-Q261 VanDerWaalsContact C-N 3.27Å; Q261-L263 VanDerWaalsContact C-N 3.3Å
262A72.6Confident80.7Confident67 Ų6754.9 Ų54.955%0.55430%0.296SS*.SBendtrans-73.1-27.6171.200000111.5L257 T260L257-A262 HydrophobicContact CD2-CB 4.33Å; L257-A262 PolarHBondContact O-N 2.79Å; L257-A262 VanDerWaalsContact O-N 3.11Å; T260-A262 PolarHBondContact O-N 3.12Å
263L71Confident80.4Confident77 Ų7757.9 Ų57.940%0.40331%0.306SS..SBendtrans-12889.4172.9-69.3174.4000109.4L254 L257 V258 Q261 N265L254-L263 HydrophobicContact CD2-CD1 4.34Å; L257-L263 HydrophobicContact CB-CD1 3.93Å; L257-L263 HydrophobicContact CB-CG 4.32Å; L257-L263 HydrophobicContact CD1-CD1 3.81Å; L257-L263 PolarHBondContact O-N 3.47Å; V258-L263 HydrophobicContact CG2-CB 4.49Å; Q261-L263 VanDerWaalsContact C-N 3.3Å; L263-N265 PolarHBondContact O-N 2.84Å
264A69.5Low80.4Confident76 Ų7657.5 Ų57.563%0.62831%0.307SS*.  trans-87.488.7177.600000110.4
265N79.6Confident80.7Confident88 Ų8858.8 Ų58.847%0.47131%0.314SS..  trans-148115.4175.6-175.4-34.5000110.5L263 A267 V268 E269L263-N265 PolarHBondContact O-N 2.84Å; N265-A267 PolarHBondContact O-N 3.37Å; N265-A267 WeakPolarHBondContact OD1-CB 3.43Å; N265-A267 PolarHBondContact OD1-N 3.45Å; N265-V268 HydrophobicContact CB-CB 4.12Å; N265-V268 HydrophobicContact CB-CG2 3.88Å; N265-V268 PolarHBondContact O-N 2.99Å; N265-V268 VanDerWaalsContact O-N 3.07Å; N265-E269 PolarHBondContact O-N 2.84Å
266C81.4Confident81.1Confident43 Ų4359.4 Ų59.429%0.29132%0.316SS..Hα-helixtrans-59-31.3-179.1-90.40000113.8C14 R270C14-C266 HydrophobicContact CB-CB 3.95Å; C14-C266 WeakPolarHBondContact CB-SG 3.39Å; C14-C266 WeakPolarHBondContact SG-CA 3.18Å; C14-C266 WeakPolarHBondContact SG-CB 3.43Å; C14-C266 CovalentContact SG-SG 2.06Å; C14-C266 PolarHBondContact SG-SG 3.23Å; C266-R270 VanDerWaalsContact O-CB 3.23Å; C266-R270 WeakPolarHBondContact O-CB 3.37Å; C266-R270 PolarHBondContact O-N 3.08Å
267A83.8Confident81.5Confident69 Ų6959.6 Ų59.657%0.5732%0.317SS*.Hα-helixtrans-67.5-40.7176.900000111.2N265 F271N265-A267 PolarHBondContact O-N 3.37Å; N265-A267 WeakPolarHBondContact OD1-CB 3.43Å; N265-A267 PolarHBondContact OD1-N 3.45Å; A267-F271 WeakPolarHBondContact O-CB 3.28Å; A267-F271 PolarHBondContact O-N 3.28Å
268V82.3Confident82.1Confident44 Ų4461.5 Ų61.527%0.26733%0.327SS..Hα-helixtrans-70-41.6177.4-1800000110.7L254 V258 N265 F271 A272L254-V268 HydrophobicContact CD2-CG1 3.33Å; V258-V268 HydrophobicContact CG2-CG1 3.89Å; N265-V268 HydrophobicContact CB-CB 4.12Å; N265-V268 HydrophobicContact CB-CG2 3.88Å; N265-V268 PolarHBondContact O-N 2.99Å; N265-V268 VanDerWaalsContact O-N 3.07Å; V268-F271 PolarHBondContact O-N 3.25Å; V268-A272 WeakPolarHBondContact O-CB 3.11Å; V268-A272 PolarHBondContact O-N 3.42Å
269E82.4Confident82.8Confident28 Ų2862 Ų6213%0.13133%0.33CS..Hα-helixtrans-61.2-46.1174.9-179.3161.7-176.500111.8I16 V258 N265 A272 R273I16-E269 HydrophobicContact CD1-CG 4.34Å; V258-E269 HydrophobicContact CG1-CB 3.67Å; V258-E269 HydrophobicContact CG1-CG 3.82Å; N265-E269 PolarHBondContact O-N 2.84Å; E269-A272 PolarHBondContact O-N 2.77Å; E269-R273 HydrophobicContact CG-CG 4.34Å; E269-R273 WeakPolarHBondContact O-CB 3.27Å; E269-R273 WeakPolarHBondContact O-CG 3.16Å; E269-R273 PolarHBondContact O-N 2.97Å; E269-R273 IonicContact OE1-CZ 3.18Å; E269-R273 IonicContact OE1-NE 2.86Å; E269-R273 PolarHBondContact OE1-NE 3.22Å; E269-R273 IonicContact OE1-NH2 2.71Å; E269-R273 PolarHBondContact OE1-NH2 3.48Å
270R84.8Confident83.6Confident149 Ų14959.3 Ų59.356%0.56232%0.32SS*.Hα-helixtrans-60.5-46.3176.8-174.4174.3-177.9-174.72.6111.7I16 C266 R273 I274I16-R270 HydrophobicContact CD1-CB 3.9Å; I16-R270 HydrophobicContact CD1-CG 4.23Å; I16-R270 HydrophobicContact CG1-CB 4.4Å; I16-R270 HydrophobicContact CG1-CG 4.25Å; C266-R270 VanDerWaalsContact O-CB 3.23Å; C266-R270 WeakPolarHBondContact O-CB 3.37Å; C266-R270 PolarHBondContact O-N 3.08Å; R270-R273 PolarHBondContact O-N 3.48Å; R270-I274 HydrophobicContact CG-CD1 3.73Å; R270-I274 WeakPolarHBondContact O-CB 3.22Å; R270-I274 VanDerWaalsContact O-CG1 3.28Å; R270-I274 WeakPolarHBondContact O-CG1 3.02Å; R270-I274 PolarHBondContact O-N 3.15Å
271F87.3Confident84.6Confident106 Ų10658.3 Ų58.347%0.46532%0.315SS..Hα-helixtrans-58-49.4176.3178-96.9000111.8L251 A267 V268 I274 L275L251-F271 HydrophobicContact CD2-CD1 4.2Å; L251-F271 HydrophobicContact CD2-CE1 3.8Å; A267-F271 WeakPolarHBondContact O-CB 3.28Å; A267-F271 PolarHBondContact O-N 3.28Å; V268-F271 PolarHBondContact O-N 3.25Å; F271-I274 PolarHBondContact O-N 2.96Å; F271-L275 HydrophobicContact CD1-CD1 4.26Å; F271-L275 HydrophobicContact CD2-CD1 3.86Å; F271-L275 HydrophobicContact CE1-CD1 3.74Å; F271-L275 HydrophobicContact CE2-CD1 3.28Å; F271-L275 HydrophobicContact CE2-CG 4.35Å; F271-L275 HydrophobicContact CG-CD1 4.32Å; F271-L275 HydrophobicContact CZ-CD1 3.22Å; F271-L275 WeakPolarHBondContact O-CB 3.29Å; F271-L275 PolarHBondContact O-N 2.65Å
272A86.1Confident85.7Confident1 Ų155.1 Ų55.11%0.00830%0.301CS..Hα-helixtrans-63.9-44.5-179.700000112.1V268 E269 I274 Y276V268-A272 WeakPolarHBondContact O-CB 3.11Å; V268-A272 PolarHBondContact O-N 3.42Å; E269-A272 PolarHBondContact O-N 2.77Å; A272-I274 PolarHBondContact O-N 3.05Å; A272-Y276 WeakPolarHBondContact O-CB 3.43Å; A272-Y276 PolarHBondContact O-N 3.48Å
273R83.4Confident86.8Confident77 Ų7751.9 Ų51.929%0.29128%0.275SS..Hα-helixtrans-67.4-33.5-179.1-75.5-176.8178.6-135.920.3113.5I16 Y255 E269 R270 P277I16-R273 HydrophobicContact CG2-CB 4.43Å; Y255-R273 HydrophobicContact CE2-CG 4.25Å; E269-R273 HydrophobicContact CG-CG 4.34Å; E269-R273 WeakPolarHBondContact O-CB 3.27Å; E269-R273 WeakPolarHBondContact O-CG 3.16Å; E269-R273 PolarHBondContact O-N 2.97Å; E269-R273 IonicContact OE1-CZ 3.18Å; E269-R273 IonicContact OE1-NE 2.86Å; E269-R273 PolarHBondContact OE1-NE 3.22Å; E269-R273 IonicContact OE1-NH2 2.71Å; E269-R273 PolarHBondContact OE1-NH2 3.48Å; R270-R273 PolarHBondContact O-N 3.48Å; R273-P277 WeakPolarHBondContact O-CD 3.25Å
274I87.6Confident87.9Confident61 Ų6148.2 Ų48.231%0.31326%0.255SS..Hα-helixtrans-75.2-44.7177-68.6170.6000111.1F20 R270 F271 A272F20-I274 WeakPolarHBondContact CZ-O 3.34Å; R270-I274 HydrophobicContact CG-CD1 3.73Å; R270-I274 WeakPolarHBondContact O-CB 3.22Å; R270-I274 VanDerWaalsContact O-CG1 3.28Å; R270-I274 WeakPolarHBondContact O-CG1 3.02Å; R270-I274 PolarHBondContact O-N 3.15Å; F271-I274 PolarHBondContact O-N 2.96Å; A272-I274 PolarHBondContact O-N 3.05Å
275L91.4Very high89Confident51 Ų5147.4 Ų47.427%0.26724%0.24SC..Hα-helixtrans-82.9-27.1-174-68.3-175.5000113.8L251 F271 I278 T279L251-L275 HydrophobicContact CD1-CB 3.39Å; L251-L275 HydrophobicContact CD1-CD1 4.4Å; L251-L275 HydrophobicContact CD2-CB 4.33Å; F271-L275 HydrophobicContact CD1-CD1 4.26Å; F271-L275 HydrophobicContact CD2-CD1 3.86Å; F271-L275 HydrophobicContact CE1-CD1 3.74Å; F271-L275 HydrophobicContact CE2-CD1 3.28Å; F271-L275 HydrophobicContact CE2-CG 4.35Å; F271-L275 HydrophobicContact CG-CD1 4.32Å; F271-L275 HydrophobicContact CZ-CD1 3.22Å; F271-L275 WeakPolarHBondContact O-CB 3.29Å; F271-L275 PolarHBondContact O-N 2.65Å; L275-I278 HydrophobicContact CD2-CD1 4.15Å; L275-I278 WeakPolarHBondContact O-CB 3.18Å; L275-I278 PolarHBondContact O-N 3.46Å; L275-T279 PolarHBondContact O-N 3.47Å; L275-T279 PolarHBondContact O-OG1 3.44Å
276Y90.7Very high89.6Confident52 Ų5243.2 Ų43.220%0.20422%0.218CC..Hα-helixtrans-55.3-47.4-178.1174.1-91.2000113.1Y248 L252 A272 I278 T279 L280Y248-Y276 HydrophobicContact CD2-CE2 4.26Å; Y248-Y276 HydrophobicContact CE2-CD2 4.47Å; Y248-Y276 AromaticContact CE2-CE2 3.65Å; Y248-Y276 HydrophobicContact CE2-CE2 3.65Å; L252-Y276 HydrophobicContact CB-CE2 4.16Å; L252-Y276 HydrophobicContact CD1-CE2 3.93Å; A272-Y276 WeakPolarHBondContact O-CB 3.43Å; A272-Y276 PolarHBondContact O-N 3.48Å; Y276-I278 VanDerWaalsContact C-N 3.28Å; Y276-I278 PolarHBondContact O-N 3.06Å; Y276-T279 PolarHBondContact O-N 2.91Å; Y276-T279 PolarHBondContact O-OG1 2.98Å; Y276-L280 HydrophobicContact CE1-CD1 4.49Å; Y276-L280 VanDerWaalsContact O-CB 3.25Å; Y276-L280 WeakPolarHBondContact O-CB 3.45Å; Y276-L280 PolarHBondContact O-N 2.78Å
277P91.8Very high90Very high4 Ų441.2 Ų41.23%0.02620%0.204CC..Hα-helixtrans-59.2-36.5174.3-26.535.6000114.3F20 K21 L24 Y25 R273 C281F20-P277 HydrophobicContact CE2-CB 4.33Å; F20-P277 HydrophobicContact CZ-CB 4.39Å; F20-P277 HydrophobicContact CZ-CG 4.19Å; K21-P277 HydrophobicContact CB-CB 3.87Å; K21-P277 HydrophobicContact CB-CG 3.85Å; L24-P277 HydrophobicContact CD2-CB 4.2Å; Y25-P277 HydrophobicContact CE1-CB 3.73Å; Y25-P277 VanDerWaalsContact OH-CA 3.28Å; Y25-P277 WeakPolarHBondContact OH-CA 3.49Å; Y25-P277 WeakPolarHBondContact OH-CB 3.38Å; R273-P277 WeakPolarHBondContact O-CD 3.25Å; P277-C281 PolarHBondContact O-N 3.39Å; P277-C281 VanDerWaalsContact O-N 3.1Å; P277-C281 PolarHBondContact O-SG 2.98Å
278I94.4Very high90.3Very high79 Ų7939.2 Ų39.241%0.40519%0.186SC..Hα-helixtrans-69.4-46.5-179-60.2172.7000110F20 L24 L275 Y276 C281 L282F20-I278 HydrophobicContact CE2-CG1 4.44Å; L24-I278 HydrophobicContact CD2-CG1 3.98Å; L275-I278 HydrophobicContact CD2-CD1 4.15Å; L275-I278 WeakPolarHBondContact O-CB 3.18Å; L275-I278 PolarHBondContact O-N 3.46Å; Y276-I278 VanDerWaalsContact C-N 3.28Å; Y276-I278 PolarHBondContact O-N 3.06Å; I278-C281 WeakPolarHBondContact O-CB 3.45Å; I278-C281 PolarHBondContact O-N 3.45Å; I278-L282 PolarHBondContact O-N 2.8Å
279T95.3Very high90.6Very high13 Ų1340 Ų408%0.0819%0.188CC..Hα-helixtrans-73.3-29.3179.2600000112.6P247 L251 L275 Y276 C281 L282 A283P247-T279 HydrophobicContact CB-CG2 3.5Å; P247-T279 VanDerWaalsContact CB-CG2 3.5Å; L251-T279 HydrophobicContact CD1-CG2 3.44Å; L251-T279 VanDerWaalsContact CD1-CG2 3.44Å; L251-T279 WeakPolarHBondContact CD1-OG1 3.46Å; L275-T279 PolarHBondContact O-N 3.47Å; L275-T279 PolarHBondContact O-OG1 3.44Å; Y276-T279 PolarHBondContact O-N 2.91Å; Y276-T279 PolarHBondContact O-OG1 2.98Å; T279-C281 VanDerWaalsContact C-N 3.35Å; T279-L282 WeakPolarHBondContact O-CB 3.22Å; T279-L282 PolarHBondContact O-N 3.43Å; T279-A283 WeakPolarHBondContact O-CB 3.26Å; T279-A283 PolarHBondContact O-N 3.35Å
280L94Very high90.7Very high11 Ų1138.7 Ų38.76%0.05818%0.182CC..Hα-helixtrans-59.3-45.9169.1-16981.2000111.4Y25 Y29 F101 Y248 Y276 L282 A283 S284Y25-L280 HydrophobicContact CD1-CD2 4.43Å; Y25-L280 HydrophobicContact CE1-CB 4.37Å; Y25-L280 HydrophobicContact CE1-CD2 3.57Å; Y25-L280 HydrophobicContact CE1-CG 4.48Å; Y25-L280 WeakPolarHBondContact OH-CD2 3.48Å; Y29-L280 WeakPolarHBondContact OH-CD2 3.46Å; F101-L280 HydrophobicContact CE1-CD1 3.79Å; F101-L280 HydrophobicContact CE2-CD1 4.06Å; F101-L280 HydrophobicContact CE2-CG 4.47Å; F101-L280 HydrophobicContact CZ-CD1 3.21Å; F101-L280 HydrophobicContact CZ-CG 4.05Å; Y248-L280 HydrophobicContact CD2-CB 4.33Å; Y248-L280 HydrophobicContact CD2-CD1 3.87Å; Y248-L280 HydrophobicContact CE2-CB 4.43Å; Y248-L280 HydrophobicContact CE2-CD1 3.23Å; Y248-L280 HydrophobicContact CE2-CG 4.43Å; Y276-L280 HydrophobicContact CE1-CD1 4.49Å; Y276-L280 VanDerWaalsContact O-CB 3.25Å; Y276-L280 WeakPolarHBondContact O-CB 3.45Å; Y276-L280 PolarHBondContact O-N 2.78Å; L280-L282 VanDerWaalsContact C-N 3.34Å; L280-A283 PolarHBondContact O-N 2.9Å; L280-S284 PolarHBondContact O-N 3.46Å
281C95.4Very high90.4Very high6 Ų632.8 Ų32.84%0.04116%0.163CC..Hα-helixtrans-60.8-44.8173.7-73.20000111.3Y25 V28 P277 I278 T279 A283 S284 L285Y25-C281 VanDerWaalsContact CD1-SG 3.57Å; V28-C281 HydrophobicContact CB-CB 4.23Å; V28-C281 HydrophobicContact CG1-CB 3.88Å; V28-C281 HydrophobicContact CG2-CB 4.08Å; P277-C281 PolarHBondContact O-N 3.39Å; P277-C281 VanDerWaalsContact O-N 3.1Å; P277-C281 PolarHBondContact O-SG 2.98Å; I278-C281 WeakPolarHBondContact O-CB 3.45Å; I278-C281 PolarHBondContact O-N 3.45Å; T279-C281 VanDerWaalsContact C-N 3.35Å; C281-A283 VanDerWaalsContact C-N 3.32Å; C281-A283 PolarHBondContact O-N 3.21Å; C281-S284 PolarHBondContact O-N 3.37Å; C281-S284 VanDerWaalsContact O-N 3.17Å; C281-S284 PolarHBondContact O-OG 3.09Å; C281-L285 PolarHBondContact O-N 2.66Å; C281-L285 VanDerWaalsContact O-N 3.14Å
282L95Very high90Very high55 Ų5530.6 Ų30.629%0.28816%0.158SC..Hα-helixtrans-61.5-38.4177.6-172.359.8000112.8I243 C244 P247 I278 T279 L280 L285I243-L282 HydrophobicContact CG2-CD1 4.01Å; I243-L282 HydrophobicContact CG2-CD2 4.17Å; I243-L282 HydrophobicContact CG2-CG 4.33Å; I243-L282 WeakPolarHBondContact O-CD2 3.02Å; I243-L282 WeakPolarHBondContact O-CG 3.47Å; C244-L282 PolarHBondContact SG-O 3.29Å; P247-L282 HydrophobicContact CG-CD2 4.33Å; I278-L282 PolarHBondContact O-N 2.8Å; T279-L282 WeakPolarHBondContact O-CB 3.22Å; T279-L282 PolarHBondContact O-N 3.43Å; L280-L282 VanDerWaalsContact C-N 3.34Å; L282-L285 HydrophobicContact CD1-CD1 4.3Å; L282-L285 WeakPolarHBondContact O-CB 3.49Å; L282-L285 PolarHBondContact O-N 3.41Å
283A94.8Very high89.6Confident0 Ų030.5 Ų30.50%016%0.157CC..Hα-helixtrans-65.5-41.4174.100000111.7I105 C244 Y248 T279 L280 C281 L285 N286I105-A283 HydrophobicContact CD1-CB 3.8Å; C244-A283 VanDerWaalsContact O-CA 3.23Å; C244-A283 WeakPolarHBondContact O-CA 3.46Å; C244-A283 WeakPolarHBondContact O-CB 3.13Å; Y248-A283 HydrophobicContact CD1-CB 4.3Å; Y248-A283 HydrophobicContact CG-CB 4.03Å; T279-A283 WeakPolarHBondContact O-CB 3.26Å; T279-A283 PolarHBondContact O-N 3.35Å; L280-A283 PolarHBondContact O-N 2.9Å; C281-A283 VanDerWaalsContact C-N 3.32Å; C281-A283 PolarHBondContact O-N 3.21Å; A283-L285 PolarHBondContact O-N 2.85Å; A283-N286 WeakPolarHBondContact O-CB 3.14Å; A283-N286 PolarHBondContact O-N 3.46Å; A283-N286 VanDerWaalsContact O-N 3.07Å
284S94.4Very high89.5Confident0 Ų026.9 Ų26.90%014%0.144CC..Hα-helixtrans-65.6-23.8177.772.70000113.9V32 L280 C281 N286V32-S284 WeakPolarHBondContact CG1-O 3.43Å; L280-S284 PolarHBondContact O-N 3.46Å; C281-S284 PolarHBondContact O-N 3.37Å; C281-S284 VanDerWaalsContact O-N 3.17Å; C281-S284 PolarHBondContact O-OG 3.09Å; S284-N286 PolarHBondContact O-N 3.22Å
285L93.1Very high89.1Confident59 Ų5928.1 Ų28.131%0.30915%0.145SC..THydrogen-bonded Turntrans-68.3-13.4174-72.4168.8000112.8V32 C281 L282 A283 C287 C288 L289V32-L285 HydrophobicContact CG2-CD2 3.81Å; V32-L285 HydrophobicContact CG2-CG 4.39Å; C281-L285 PolarHBondContact O-N 2.66Å; C281-L285 VanDerWaalsContact O-N 3.14Å; L282-L285 HydrophobicContact CD1-CD1 4.3Å; L282-L285 WeakPolarHBondContact O-CB 3.49Å; L282-L285 PolarHBondContact O-N 3.41Å; A283-L285 PolarHBondContact O-N 2.85Å; L285-C287 PolarHBondContact O-N 2.94Å; L285-C288 WeakPolarHBondContact O-CB 3.47Å; L285-C288 PolarHBondContact O-N 2.86Å; L285-L289 WeakPolarHBondContact O-CG 3.45Å; L285-L289 PolarHBondContact O-N 2.97Å
286N91.8Very high88.4Confident0 Ų027.9 Ų27.90%014%0.142CC..Hα-helixtrans-50.7-45.3175.2-177.776.8000111.7S108 I240 C244 F245 A283 S284 C288 L289 D290S108-N286 WeakPolarHBondContact CB-ND2 3.28Å; S108-N286 PolarHBondContact OG-ND2 3.36Å; I240-N286 WeakPolarHBondContact CG2-OD1 3.33Å; C244-N286 HydrophobicContact CB-CB 4.18Å; F245-N286 HydrophobicContact CE1-CB 4.08Å; F245-N286 HydrophobicContact CZ-CB 3.87Å; F245-N286 VanDerWaalsContact CZ-OD1 3.28Å; F245-N286 WeakPolarHBondContact CZ-OD1 3.4Å; A283-N286 WeakPolarHBondContact O-CB 3.14Å; A283-N286 PolarHBondContact O-N 3.46Å; A283-N286 VanDerWaalsContact O-N 3.07Å; S284-N286 PolarHBondContact O-N 3.22Å; N286-C288 PolarHBondContact O-N 3.25Å; N286-L289 WeakPolarHBondContact O-CA 3.48Å; N286-L289 PolarHBondContact O-N 2.79Å; N286-D290 PolarHBondContact ND2-OD1 3.07Å; N286-D290 PolarHBondContact ND2-OD2 2.89Å; N286-D290 PolarHBondContact O-N 2.91Å
287C90.7Very high87.6Confident0 Ų025.5 Ų25.50%013%0.133CC..Hα-helixtrans-57.2-24180-53.50000113.5N40 D68 F71 N104 L285 D290N40-C287 PolarHBondContact ND2-O 3.39Å; D68-C287 HydrophobicContact CB-CB 4.07Å; D68-C287 PolarHBondContact OD1-SG 3.14Å; F71-C287 VanDerWaalsContact CD1-SG 3.59Å; N104-C287 PolarHBondContact ND2-SG 2.8Å; N104-C287 PolarHBondContact OD1-SG 2.83Å; N104-C287 VanDerWaalsContact OD1-SG 3.4Å; L285-C287 PolarHBondContact O-N 2.94Å; C287-D290 WeakPolarHBondContact CA-OD2 3.4Å
288C89.8Confident86.6Confident27 Ų2725.8 Ų25.818%0.18214%0.135CC..Hα-helixtrans-88.8-20.8177.8-54.40000112.3S35 L285 N286 P291S35-C288 PolarHBondContact OG-SG 3.2Å; L285-C288 WeakPolarHBondContact O-CB 3.47Å; L285-C288 PolarHBondContact O-N 2.86Å; N286-C288 PolarHBondContact O-N 3.25Å; C288-P291 WeakPolarHBondContact O-CD 3.17Å
289L87.7Confident85.3Confident62 Ų6224.9 Ų24.933%0.32513%0.129SC..Hα-helixtrans-95.2-19.1-177.9-61176.1000112.6I240 L285 N286 P291 V292 V293I240-L289 HydrophobicContact CD1-CB 3.99Å; I240-L289 HydrophobicContact CG1-CB 4.25Å; I240-L289 HydrophobicContact CG1-CD1 4.41Å; I240-L289 HydrophobicContact CG2-CB 4.41Å; L285-L289 WeakPolarHBondContact O-CG 3.45Å; L285-L289 PolarHBondContact O-N 2.97Å; N286-L289 WeakPolarHBondContact O-CA 3.48Å; N286-L289 PolarHBondContact O-N 2.79Å; L289-P291 VanDerWaalsContact C-N 3.33Å; L289-V292 WeakPolarHBondContact O-CA 3.4Å; L289-V292 WeakPolarHBondContact O-CB 3.38Å; L289-V292 WeakPolarHBondContact O-CG2 3.32Å; L289-V292 PolarHBondContact O-N 2.94Å; L289-V293 PolarHBondContact O-N 3.39Å
290D84.4Confident83.7Confident0 Ų027.3 Ų27.30%015%0.147CC..Hα-helixtrans-55.7-34175.6-66.7-50.7000115.1D68 N286 C287 V292 V293 Y294D68-D290 VanDerWaalsContact OD2-OD2 3.04Å; N286-D290 PolarHBondContact ND2-OD1 3.07Å; N286-D290 PolarHBondContact ND2-OD2 2.89Å; N286-D290 PolarHBondContact O-N 2.91Å; C287-D290 WeakPolarHBondContact CA-OD2 3.4Å; D290-V292 PolarHBondContact O-N 2.71Å; D290-V293 WeakPolarHBondContact O-CA 3.2Å; D290-V293 WeakPolarHBondContact O-CB 3.4Å; D290-V293 PolarHBondContact O-N 2.92Å; D290-Y294 HydrophobicContact CB-CE1 4.24Å; D290-Y294 HydrophobicContact CB-CE2 4.17Å; D290-Y294 VanDerWaalsContact O-CD1 3.3Å; D290-Y294 WeakPolarHBondContact O-CD1 3.25Å; D290-Y294 WeakPolarHBondContact O-CD2 3.46Å; D290-Y294 PolarHBondContact O-N 3.48Å
291P79Confident82.3Confident25 Ų2527.3 Ų27.316%0.16215%0.146CC..Hα-helixtrans-58.5-30170.5-24.533.9000113.9T39 C288 L289 Y294 Y295T39-P291 HydrophobicContact CG2-CG 3.99Å; T39-P291 WeakPolarHBondContact OG1-CG 3.36Å; C288-P291 WeakPolarHBondContact O-CD 3.17Å; L289-P291 VanDerWaalsContact C-N 3.33Å; P291-Y294 PolarHBondContact O-N 3.22Å; P291-Y295 WeakPolarHBondContact O-CB 3.48Å; P291-Y295 PolarHBondContact O-N 3.18Å
292V79.3Confident81.1Confident59 Ų5930.4 Ų30.436%0.35816%0.159SC..Hα-helixtrans-68.3-42.6174.6-173.10000109.8V236 L289 D290 Y294 Y295 F296V236-V292 HydrophobicContact CG1-CG1 4.01Å; L289-V292 WeakPolarHBondContact O-CA 3.4Å; L289-V292 WeakPolarHBondContact O-CB 3.38Å; L289-V292 WeakPolarHBondContact O-CG2 3.32Å; L289-V292 PolarHBondContact O-N 2.94Å; D290-V292 PolarHBondContact O-N 2.71Å; V292-Y294 VanDerWaalsContact C-N 3.32Å; V292-Y294 PolarHBondContact O-N 2.99Å; V292-Y295 PolarHBondContact O-N 3.1Å; V292-F296 HydrophobicContact CG1-CD2 3.75Å; V292-F296 HydrophobicContact CG1-CE2 3.55Å; V292-F296 WeakPolarHBondContact O-CD2 3.23Å; V292-F296 PolarHBondContact O-N 3.41Å; V292-F296 VanDerWaalsContact O-N 3.14Å
293V77.8Confident79.9Confident0 Ų033.7 Ų33.70%017%0.171CC..Hα-helixtrans-56.6-47.1171.6175.20000109.9L112 V236 H237 I240 L289 D290 F296 T297L112-V293 HydrophobicContact CD2-CG1 3.88Å; L112-V293 HydrophobicContact CD2-CG2 4.21Å; V236-V293 HydrophobicContact CG1-CG2 4.47Å; H237-V293 VanDerWaalsContact CD2-CG1 3.42Å; H237-V293 WeakPolarHBondContact CD2-CG1 3.41Å; H237-V293 WeakPolarHBondContact NE2-CG1 3.42Å; I240-V293 HydrophobicContact CD1-CG2 3.43Å; I240-V293 VanDerWaalsContact CD1-CG2 3.43Å; L289-V293 PolarHBondContact O-N 3.39Å; D290-V293 WeakPolarHBondContact O-CA 3.2Å; D290-V293 WeakPolarHBondContact O-CB 3.4Å; D290-V293 PolarHBondContact O-N 2.92Å; V293-F296 PolarHBondContact O-N 3.02Å; V293-T297 WeakPolarHBondContact O-CB 3.23Å; V293-T297 PolarHBondContact O-N 2.86Å; V293-T297 PolarHBondContact O-OG1 3.01Å
294Y81.3Confident78.6Confident0 Ų034.9 Ų34.90%018%0.179CC..Hα-helixtrans-64.1-44.2-178.8-56-20.9000112.4A43 F47 M61 L64 A65 D290 P291 V292 F296 T297 S298A43-Y294 HydrophobicContact CB-CD2 3.65Å; A43-Y294 HydrophobicContact CB-CE2 3.58Å; F47-Y294 HydrophobicContact CE2-CD1 4.23Å; F47-Y294 AromaticContact CE2-CD2 3.85Å; F47-Y294 HydrophobicContact CE2-CD2 3.85Å; F47-Y294 HydrophobicContact CE2-CE1 4.36Å; F47-Y294 AromaticContact CE2-CE2 3.98Å; F47-Y294 HydrophobicContact CE2-CE2 3.98Å; F47-Y294 HydrophobicContact CE2-CG 4.01Å; F47-Y294 AromaticContact CZ-CD1 3.97Å; F47-Y294 HydrophobicContact CZ-CD1 3.97Å; F47-Y294 AromaticContact CZ-CD2 3.8Å; F47-Y294 HydrophobicContact CZ-CD2 3.8Å; F47-Y294 HydrophobicContact CZ-CE2 4.38Å; F47-Y294 AromaticContact CZ-CG 3.6Å; F47-Y294 HydrophobicContact CZ-CG 3.6Å; M61-Y294 HydrophobicContact CB-CD1 4Å; M61-Y294 HydrophobicContact CB-CE1 3.83Å; M61-Y294 HydrophobicContact CG-CD1 3.76Å; M61-Y294 HydrophobicContact CG-CE1 3.91Å; M61-Y294 HydrophobicContact SD-CD1 3.95Å; L64-Y294 HydrophobicContact CD2-CE1 4.17Å; A65-Y294 WeakPolarHBondContact CA-OH 3.28Å; A65-Y294 HydrophobicContact CB-CE2 4.24Å; A65-Y294 WeakPolarHBondContact CB-OH 3.36Å; A65-Y294 PolarHBondContact N-OH 3.16Å; D290-Y294 HydrophobicContact CB-CE1 4.24Å; D290-Y294 HydrophobicContact CB-CE2 4.17Å; D290-Y294 VanDerWaalsContact O-CD1 3.3Å; D290-Y294 WeakPolarHBondContact O-CD1 3.25Å; D290-Y294 WeakPolarHBondContact O-CD2 3.46Å; D290-Y294 PolarHBondContact O-N 3.48Å; P291-Y294 PolarHBondContact O-N 3.22Å; V292-Y294 VanDerWaalsContact C-N 3.32Å; V292-Y294 PolarHBondContact O-N 2.99Å; Y294-F296 PolarHBondContact O-N 2.77Å; Y294-T297 PolarHBondContact O-N 3.47Å; Y294-S298 WeakPolarHBondContact O-CB 3.15Å; Y294-S298 PolarHBondContact O-N 3.2Å
295Y79.7Confident77.3Confident87 Ų8739.6 Ų39.634%0.34120%0.204SC..Hα-helixtrans-60.4-44.2178.4179.8-97.6000112.7P291 V292 K302 L305P291-Y295 WeakPolarHBondContact O-CB 3.48Å; P291-Y295 PolarHBondContact O-N 3.18Å; V292-Y295 PolarHBondContact O-N 3.1Å; Y295-K302 HydrophobicContact CD2-CB 4.24Å; Y295-K302 HydrophobicContact CD2-CG 4.24Å; Y295-K302 HydrophobicContact CE2-CB 4.12Å; Y295-K302 HydrophobicContact CE2-CD 4.04Å; Y295-K302 HydrophobicContact CE2-CG 3.62Å; Y295-K302 WeakPolarHBondContact OH-CE 3.47Å; Y295-L305 HydrophobicContact CD2-CD1 4.23Å
296F77.3Confident76Confident46 Ų4641.8 Ų41.820%0.20222%0.22CC..Hα-helixtrans-80.4-21.5-178.9-69.4-58.7000113.8R232 V236 V292 V293 Y294R232-F296 HydrophobicContact CG-CD1 3.97Å; R232-F296 HydrophobicContact CG-CE1 4.11Å; R232-F296 HydrophobicContact CG-CG 4.41Å; V236-F296 HydrophobicContact CB-CD2 4.3Å; V236-F296 HydrophobicContact CG1-CD2 4.12Å; V236-F296 HydrophobicContact CG2-CD2 3.6Å; V236-F296 HydrophobicContact CG2-CE2 3.91Å; V236-F296 HydrophobicContact CG2-CG 4.28Å; V292-F296 HydrophobicContact CG1-CD2 3.75Å; V292-F296 HydrophobicContact CG1-CE2 3.55Å; V292-F296 WeakPolarHBondContact O-CD2 3.23Å; V292-F296 PolarHBondContact O-N 3.41Å; V292-F296 VanDerWaalsContact O-N 3.14Å; V293-F296 PolarHBondContact O-N 3.02Å; Y294-F296 PolarHBondContact O-N 2.77Å
297T73.1Confident74.4Confident2 Ų246.1 Ų46.11%0.01224%0.242CC..Hα-helixtrans-94.3-32.3-177.9-54.70000113.5T57 M61 I115 R119 R229 M233 H237 V293 Y294T57-T297 HydrophobicContact CG2-CG2 3.76Å; M61-T297 HydrophobicContact CE-CG2 3Å; I115-T297 HydrophobicContact CG2-CG2 4.38Å; R119-T297 VanDerWaalsContact NH2-CG2 3.28Å; R119-T297 PolarHBondContact NH2-O 3.23Å; R229-T297 PolarHBondContact NH2-O 3.42Å; M233-T297 HydrophobicContact CG-CG2 4.25Å; M233-T297 WeakPolarHBondContact CG-OG1 3.46Å; M233-T297 HydrophobicContact SD-CG2 3.61Å; H237-T297 PolarHBondContact CE1-OG1 3.26Å; H237-T297 PolarHBondContact NE2-OG1 2.97Å; V293-T297 WeakPolarHBondContact O-CB 3.23Å; V293-T297 PolarHBondContact O-N 2.86Å; V293-T297 PolarHBondContact O-OG1 3.01Å; Y294-T297 PolarHBondContact O-N 3.47Å
298S70.2Confident72.4Confident11 Ų1149.2 Ų49.28%0.07727%0.274CS..  trans-115.7111.9-174.2-179.10000113Y294 S300 F301 K302Y294-S298 WeakPolarHBondContact O-CB 3.15Å; Y294-S298 PolarHBondContact O-N 3.2Å; S298-S300 VanDerWaalsContact C-N 3.26Å; S298-S300 PolarHBondContact O-N 3.38Å; S298-F301 WeakPolarHBondContact O-CB 3.19Å; S298-F301 PolarHBondContact O-N 3.44Å; S298-F301 WeakPolarHBondContact OG-CB 3.42Å; S298-F301 PolarHBondContact OG-N 2.85Å; S298-F301 VanDerWaalsContact OG-N 3.14Å; S298-K302 PolarHBondContact O-N 3.26Å
299E67.6Low70.3Confident60 Ų6051.2 Ų51.228%0.2830%0.299SS..Hα-helixtrans-62.7-36.7172.3-77.8-49.7120.500112R229 F301 K302 K303R229-E299 WeakPolarHBondContact CD-OE1 3.43Å; R229-E299 VanDerWaalsContact CZ-CD 3.46Å; R229-E299 IonicContact CZ-OE1 3.23Å; R229-E299 IonicContact NE-OE1 2.76Å; R229-E299 PolarHBondContact NE-OE1 3.2Å; R229-E299 IonicContact NH1-OE1 2.75Å; R229-E299 PolarHBondContact NH1-OE1 2.9Å; R229-E299 VanDerWaalsContact NH1-OE1 3.14Å; R229-E299 IonicContact NH2-OE1 2.84Å; R229-E299 PolarHBondContact NH2-OE1 3.31Å; E299-F301 VanDerWaalsContact C-N 3.28Å; E299-F301 PolarHBondContact O-N 3.16Å; E299-K302 PolarHBondContact O-N 3.16Å; E299-K303 WeakPolarHBondContact O-CB 3.21Å; E299-K303 VanDerWaalsContact O-CG 3.3Å; E299-K303 WeakPolarHBondContact O-CG 3.46Å; E299-K303 PolarHBondContact O-N 2.92Å
300S61.5Low68.1Low64 Ų6456.9 Ų56.945%0.44832%0.321SS..Hα-helixtrans-68.8-33.8-178.4-63.40000110.7M51 S298 S304M51-S300 WeakPolarHBondContact SD-CB 3.35Å; S298-S300 VanDerWaalsContact C-N 3.26Å; S298-S300 PolarHBondContact O-N 3.38Å; S300-S304 WeakPolarHBondContact O-CB 3.36Å; S300-S304 PolarHBondContact O-N 3Å
301F64.9Low66.2Low11 Ų1161 Ų615%0.04836%0.363CS..Hα-helixtrans-64.8-49.7170.1-171-101.9000111.1A43 V46 F47 S298 E299 K303 S304 L305A43-F301 HydrophobicContact CB-CE2 4.27Å; V46-F301 HydrophobicContact CB-CD2 3.95Å; V46-F301 HydrophobicContact CB-CE2 4.01Å; V46-F301 HydrophobicContact CG1-CD2 3.6Å; V46-F301 HydrophobicContact CG1-CE2 4.15Å; V46-F301 HydrophobicContact CG2-CD2 4.43Å; V46-F301 HydrophobicContact CG2-CE2 4.19Å; F47-F301 HydrophobicContact CD1-CD2 4.3Å; F47-F301 HydrophobicContact CE1-CB 4.25Å; F47-F301 AromaticContact CE1-CD2 3.61Å; F47-F301 HydrophobicContact CE1-CD2 3.61Å; F47-F301 HydrophobicContact CE1-CE2 4.35Å; F47-F301 HydrophobicContact CE1-CG 4.18Å; F47-F301 HydrophobicContact CZ-CD2 4.03Å; F47-F301 HydrophobicContact CZ-CE2 4.41Å; S298-F301 WeakPolarHBondContact O-CB 3.19Å; S298-F301 PolarHBondContact O-N 3.44Å; S298-F301 WeakPolarHBondContact OG-CB 3.42Å; S298-F301 PolarHBondContact OG-N 2.85Å; S298-F301 VanDerWaalsContact OG-N 3.14Å; E299-F301 VanDerWaalsContact C-N 3.28Å; E299-F301 PolarHBondContact O-N 3.16Å; F301-K303 PolarHBondContact O-N 3.5Å; F301-S304 PolarHBondContact O-N 3.45Å; F301-L305 HydrophobicContact CD1-CD1 3.89Å; F301-L305 HydrophobicContact CE1-CD1 3.54Å; F301-L305 HydrophobicContact CE1-CG 4.34Å; F301-L305 HydrophobicContact CZ-CD1 4.12Å; F301-L305 WeakPolarHBondContact O-CG 3.22Å; F301-L305 PolarHBondContact O-N 3.31Å; F301-L305 VanDerWaalsContact O-N 3.09Å
302K70.9Confident64.4Low71 Ų7164 Ų6431%0.30939%0.386SS..Hα-helixtrans-55.3-50.1175.1179.5174.6178.7-165.90112.2Y295 S298 E299 S304 L305 T306Y295-K302 HydrophobicContact CD2-CB 4.24Å; Y295-K302 HydrophobicContact CD2-CG 4.24Å; Y295-K302 HydrophobicContact CE2-CB 4.12Å; Y295-K302 HydrophobicContact CE2-CD 4.04Å; Y295-K302 HydrophobicContact CE2-CG 3.62Å; Y295-K302 WeakPolarHBondContact OH-CE 3.47Å; S298-K302 PolarHBondContact O-N 3.26Å; E299-K302 PolarHBondContact O-N 3.16Å; K302-S304 PolarHBondContact O-N 2.06Å; K302-L305 PolarHBondContact O-N 3.38Å; K302-T306 PolarHBondContact O-N 3.34Å; K302-T306 VanDerWaalsContact O-N 3.1Å; K302-T306 PolarHBondContact O-OG1 3.38Å
303K69.8Low62.5Low123 Ų12365.2 Ų65.254%0.53541%0.41SS..Hα-helixtrans-62.9-39.5178.2-74.5180-178.6-173.60112.3E299 F301 L305 T306 I307E299-K303 WeakPolarHBondContact O-CB 3.21Å; E299-K303 VanDerWaalsContact O-CG 3.3Å; E299-K303 WeakPolarHBondContact O-CG 3.46Å; E299-K303 PolarHBondContact O-N 2.92Å; F301-K303 PolarHBondContact O-N 3.5Å; K303-L305 VanDerWaalsContact C-N 3.3Å; K303-L305 PolarHBondContact O-N 3.02Å; K303-T306 PolarHBondContact O-N 3.11Å; K303-I307 HydrophobicContact CB-CD1 4.21Å; K303-I307 VanDerWaalsContact O-CB 3.27Å; K303-I307 WeakPolarHBondContact O-CB 3.1Å; K303-I307 WeakPolarHBondContact O-CG1 3.37Å; K303-I307 PolarHBondContact O-N 3.49Å
304S66.4Low60.6Low25 Ų2569.5 Ų69.518%0.17544%0.44CS..Hα-helixtrans-65.4-34.3177.5-167.40000112.2S300 F301 K302 G308S300-S304 WeakPolarHBondContact O-CB 3.36Å; S300-S304 PolarHBondContact O-N 3Å; F301-S304 PolarHBondContact O-N 3.45Å; K302-S304 PolarHBondContact O-N 2.06Å; S304-G308 PolarHBondContact O-N 2.99Å
305L67.4Low58.2Low99 Ų9981.1 Ų81.152%0.51848%0.483SS..Hα-helixtrans-69.2-38.5173.6-67.5171.3000112Y295 F301 K302 K303Y295-L305 HydrophobicContact CD2-CD1 4.23Å; F301-L305 HydrophobicContact CD1-CD1 3.89Å; F301-L305 HydrophobicContact CE1-CD1 3.54Å; F301-L305 HydrophobicContact CE1-CG 4.34Å; F301-L305 HydrophobicContact CZ-CD1 4.12Å; F301-L305 WeakPolarHBondContact O-CG 3.22Å; F301-L305 PolarHBondContact O-N 3.31Å; F301-L305 VanDerWaalsContact O-N 3.09Å; K302-L305 PolarHBondContact O-N 3.38Å; K303-L305 VanDerWaalsContact C-N 3.3Å; K303-L305 PolarHBondContact O-N 3.02Å
306T65.1Low56.2Low105 Ų10582.7 Ų82.764%0.64451%0.505SS*.Hα-helixtrans-77.8-34.8-179.7-32.40000113K302 K303K302-T306 PolarHBondContact O-N 3.34Å; K302-T306 VanDerWaalsContact O-N 3.1Å; K302-T306 PolarHBondContact O-OG1 3.38Å; K303-T306 PolarHBondContact O-N 3.11Å
307I58.3Low54Low92 Ų9289.9 Ų89.947%0.47254%0.539SS..Hα-helixtrans-83.6-22.2-179.1-62.3168.7000111.2K303 G309 K310K303-I307 HydrophobicContact CB-CD1 4.21Å; K303-I307 VanDerWaalsContact O-CB 3.27Å; K303-I307 WeakPolarHBondContact O-CB 3.1Å; K303-I307 WeakPolarHBondContact O-CG1 3.37Å; K303-I307 PolarHBondContact O-N 3.49Å; I307-G309 PolarHBondContact O-N 3.46Å; I307-K310 CarbonylContact O-C 3.13Å; I307-K310 PolarHBondContact O-N 3.37Å; I307-K310 VanDerWaalsContact O-O 3.07Å
308G49.9Very low52.2Low64 Ų6494.8 Ų94.866%0.6657%0.573SS**THydrogen-bonded Turntrans-59.2-12.9174.400000115.4S304S304-G308 PolarHBondContact O-N 2.99Å
309G44.4Very low50.7Low70 Ų70101.8 Ų101.872%0.72261%0.608SS**THydrogen-bonded Turntrans-94.8-4.4172.200000115.5I307I307-G309 PolarHBondContact O-N 3.46Å
310K42.4Very low49.2Very low180 Ų180104.7 Ų104.778%0.78363%0.632SS**SBendtrans-124.9102.3173-84-177.9171.8179.50108.7I307 S312I307-K310 CarbonylContact O-C 3.13Å; I307-K310 PolarHBondContact O-N 3.37Å; I307-K310 VanDerWaalsContact O-O 3.07Å; K310-S312 PolarHBondContact O-N 3.12Å
311G45.1Very low47.8Very low86 Ų86112.3 Ų112.389%0.88765%0.651SS**  trans-48.2109.3175.100000111.1G313G311-G313 VanDerWaalsContact C-N 3.34Å; G311-G313 PolarHBondContact O-N 2.93Å
312S39.1Very low46.4Very low90 Ų90117.3 Ų117.363%0.62969%0.687SS**  trans-8979.1176.2-1630000108.6K310 S314K310-S312 PolarHBondContact O-N 3.12Å; S312-S314 PolarHBondContact O-N 3.12Å; S312-S314 PolarHBondContact OG-OG 2.91Å; S312-S314 VanDerWaalsContact OG-OG 3.12Å
313G41Very low44.6Very low84 Ų84120 Ų12087%0.86671%0.705SS**  trans-76.493.5147.400000107.6G311G311-G313 VanDerWaalsContact C-N 3.34Å; G311-G313 PolarHBondContact O-N 2.93Å
314S36.6Very low42.9Very low90 Ų90122 Ų12263%0.62972%0.722SS**  trans-141.496.2167.856.90000107.7S312S312-S314 PolarHBondContact O-N 3.12Å; S312-S314 PolarHBondContact OG-OG 2.91Å; S312-S314 VanDerWaalsContact OG-OG 3.12Å
315R32.3Very low41.3Very low243 Ų243130 Ų13092%0.91776%0.757SS**  trans-58.1140.1173.3-137.8173178.9167.4-2.6108.8E317R315-E317 PolarHBondContact O-N 3.21Å
316P37.2Very low39.7Very low121 Ų121129.5 Ų129.579%0.78677%0.767SS**  trans-71.1128.1168.3-6.222.5000108.9S318P316-S318 PolarHBondContact O-N 2.74Å
317E31.7Very low38.1Very low196 Ų196133.3 Ų133.392%0.91678%0.777SS**  trans-62.7115.4171.1-159.4166.5-173.200108.9R315R315-E317 PolarHBondContact O-N 3.21Å
318S34.2Very low36.8Very low106 Ų106135.7 Ų135.774%0.74179%0.79SS**PPolyproline II helixtrans-77.3121.4176.548.30000109.8P316P316-S318 PolarHBondContact O-N 2.74Å
319I39.2Very low35.9Very low158 Ų158139.5 Ų139.581%0.8180%0.801SS**PPolyproline II helixtrans-58128.1166.7-59.8169000108.4R321I319-R321 PolarHBondContact O-N 2.9Å
320P35.4Very low35.3Very low121 Ų121140.8 Ų140.879%0.78681%0.805SS**PPolyproline II helixtrans-72.1122173.6-7.423.2000109.6
321R32Very low34.8Very low224 Ų224138.7 Ų138.785%0.84581%0.807SS**PPolyproline II helixtrans-76.8124.4158-91.9179.1168160.8-5.5107.3I319 D323I319-R321 PolarHBondContact O-N 2.9Å; R321-D323 PolarHBondContact O-N 3.49Å
322S35.5Very low34.4Very low115 Ų115140.6 Ų140.680%0.80480%0.804SS**  trans-79.3104.5164.2-175.10000107.3
323D33.9Very low33.9Very low129 Ų129147 Ų14769%0.6981%0.814SS**  trans-76.5132.1162.1-64.9-37.7000108.1R321R321-D323 PolarHBondContact O-N 3.49Å
324N32.9Very low33.4Very low164 Ų164150.1 Ų150.188%0.87781%0.811SS**  trans-137.9104.5152.5-102.2-9.2000106.3
325E34.1Very low33Very low194 Ų194151.2 Ų151.291%0.90781%0.814SS**  trans-74.4153.3172.6-86.1178.9115.500112.1
326A34.2Very low32.8Very low88 Ų88148.6 Ų148.673%0.72781%0.809SS**  trans-39.5154.7175.700000118.1
327Q29.8Very low32.5Very low185 Ų185148.4 Ų148.486%0.86481%0.811SS**  -175.5152.698.7-114.6164.2-17.400115.4
328D31.4Very low32.4Very low141 Ų141145.4 Ų145.475%0.75481%0.805SS**  trans-33147.7-179.6-73.6-51.8000120.1
329T30.5Very low32.1Very low144 Ų144145.9 Ų145.988%0.88381%0.809SS**  -167.6126123.49.10000114.7
330A32Very low31.7Very low97 Ų97143.6 Ų143.680%0.80281%0.807SS**  trans20.4138.9146.600000124
331V32.8Very low31.5Very low136 Ų136145.6 Ų145.682%0.82481%0.811SS**  trans-67.5145.8165174.70000111.3
332P36.7Very low31.5Very low126 Ų126138.2 Ų138.282%0.81881%0.805SS**  -143.7162.1100.627.2-4.9000116.9
333R29.6Very low31.2Very low225 Ų225142.3 Ų142.385%0.84981%0.808SS**  trans-47.7147.7172.2-65.7168.8176.4158.4-1113.8
334D29Very low31.2Very low150 Ų150143 Ų14380%0.80282%0.817SS**  -171.5140.8116.1-111.3-37.5000117.6
335T28.6Very low31.1Very low112 Ų112139.2 Ų139.269%0.68781%0.808SS**  trans40.6117145.99.40000126
336K28.7Very low31Very low188 Ų188135.6 Ų135.682%0.81780%0.799SS**  trans29.7131132.8-66.9-178.6177.5177.40123.2
337S29.7Very low31Very low117 Ų117138.9 Ų138.982%0.81880%0.803SS**  -165.792.2129.359.30000110
338V29.8Very low31.1Very low133 Ų133135.1 Ų135.181%0.80680%0.797SS**  40.1126.596.5-174.40000117.8
339S29.3Very low31.4Very low116 Ų116135.6 Ų135.681%0.81180%0.799SS**  trans109.3119.8158.2-153.70000113
340S30.6Very low31.6Very low110 Ų110134 Ų13477%0.76979%0.794SS**  cis-151.4148.143.1173.80000113.9
341N31.4Very low31.9Very low164 Ų164138.2 Ų138.288%0.87780%0.797SS**  trans-43.7156.8170.8-93.2-23.9000118.3
342G30.1Very low32.3Very low69 Ų69143.3 Ų143.371%0.71182%0.819SS**  trans166.580.2140.900000119
343K30.8Very low32Very low201 Ų201144.2 Ų144.287%0.87482%0.819SS**  trans59.7110149.2-60.4178.9179.1-178.80118.2
344V32.4Very low32.2Very low144 Ų144139.9 Ų139.987%0.87382%0.817SS**  55.9111.367.8-172.40000115.6
345A32.2Very low32.3Very low83 Ų83139.4 Ų139.469%0.68682%0.818SS**  trans155.998.4133.300000110
346T31.3Very low32.6Very low119 Ų119141 Ų14173%0.7383%0.826SS**  72.9116.898.438.30000118
347I33.5Very low32.8Very low156 Ų156138.1 Ų138.180%0.883%0.826SS**  63.5116.3128.1-53.1162.8000118.8
348S32.2Very low33Very low106 Ų106139.5 Ų139.574%0.74183%0.827SS**  161.9139.8104.7-170.70000112.7
349D38.2Very low33.2Very low151 Ų151139.9 Ų139.981%0.80783%0.828SS**  trans-57.6153.6161.1-67.7-56000114.2
350S34.2Very low33.5Very low110 Ų110141.8 Ų141.877%0.76983%0.83SS**  trans177.8111.5137.929.70000108.3
351Q38.7Very low33.8Very low186 Ų186144.4 Ų144.487%0.86984%0.835SS**  53.295.197.3-72.3-76.2-42.500113.4
352L40.6Very low34Very low244 Ų244142.6 Ų142.6100%1.27783%0.831SS**  -161.70121.7-122.5130.5000111

Retrieved 352 of 352 residues in 413.9 ms (Link to these results)

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