G4VH67_SCHMA Loading...

Mitochondrial solute carrier-related

AlphaFold DB , UniProt , Accession G4VH67, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 371 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
1M32.6Very low40.4Very low235 Ų235124.8 Ų124.8100%1.15866%0.664SS**  0105.80-91.2160.9158.600105.2D3M1-D3 PolarHBondContact O-N 3.17Å
2V35.1Very low41Very low135 Ų135115 Ų11582%0.81861%0.611SS**  trans-65.3127.7164.2176.10000104.1E4V2-E4 VanDerWaalsContact C-N 3.27Å; V2-E4 PolarHBondContact O-N 3.03Å
3D33.8Very low41.1Very low141 Ų141108.3 Ų108.375%0.75458%0.578SS**  trans-5694.1177.5-64.8-54.4000108.5M1 D5M1-D3 PolarHBondContact O-N 3.17Å; D3-D5 PolarHBondContact O-N 2.93Å
4E36Very low41.8Very low176 Ų176108 Ų10882%0.82259%0.589SS**THydrogen-bonded Turntrans-63.7125.4162.7-78.2176.3157.300105.7V2V2-E4 VanDerWaalsContact C-N 3.27Å; V2-E4 PolarHBondContact O-N 3.03Å
5D37.5Very low42.3Very low134 Ų134109 Ų10972%0.71760%0.6SS**THydrogen-bonded Turntrans81.247.2178.7-47-27000116.1D3 D7D3-D5 PolarHBondContact O-N 2.93Å; D5-D7 PolarHBondContact O-N 3.29Å
6S37.2Very low43.2Very low107 Ų107104 Ų10475%0.74858%0.575SS**  trans-64.574135.4690000107.6D8S6-D8 VanDerWaalsContact C-N 3.27Å; S6-D8 PolarHBondContact O-N 3.36Å
7D38.3Very low44.4Very low82 Ų82102.1 Ų102.144%0.43957%0.568SS.*  trans-51.7103.7164.4-89.4-27.5000105.2D5 Y9D5-D7 PolarHBondContact O-N 3.29Å; D7-Y9 VanDerWaalsContact C-N 3.3Å; D7-Y9 PolarHBondContact O-N 2.88Å
8D44.4Very low45.7Very low111 Ų111101.3 Ų101.359%0.59456%0.563SS**  trans-56.8101.7175.5-1651.5000105.1S6 E10 S11S6-D8 VanDerWaalsContact C-N 3.27Å; S6-D8 PolarHBondContact O-N 3.36Å; D8-E10 PolarHBondContact O-N 2.97Å; D8-S11 WeakPolarHBondContact O-CA 3.29Å; D8-S11 WeakPolarHBondContact O-CB 3.13Å; D8-S11 PolarHBondContact O-N 3.42Å; D8-S11 PolarHBondContact O-OG 3.47Å
9Y52.5Low46.8Very low85 Ų85100.5 Ų100.533%0.33356%0.563SS.*THydrogen-bonded Turntrans-61.8-21.5-163.6158.9-83.3000112.3D7 S11 Y203 E299D7-Y9 VanDerWaalsContact C-N 3.3Å; D7-Y9 PolarHBondContact O-N 2.88Å; Y9-S11 PolarHBondContact O-N 2.67Å; Y9-Y203 AromaticContact CD1-CD2 3.74Å; Y9-Y203 HydrophobicContact CD1-CD2 3.74Å; Y9-Y203 HydrophobicContact CD1-CE2 4.02Å; Y9-Y203 HydrophobicContact CD2-CD2 4.4Å; Y9-Y203 HydrophobicContact CD2-CE2 4.48Å; Y9-Y203 AromaticContact CE1-CD2 3.36Å; Y9-Y203 HydrophobicContact CE1-CD2 3.36Å; Y9-Y203 AromaticContact CE1-CE2 3.16Å; Y9-Y203 HydrophobicContact CE1-CE2 3.16Å; Y9-Y203 HydrophobicContact CE2-CD2 4.03Å; Y9-Y203 AromaticContact CE2-CE2 3.69Å; Y9-Y203 HydrophobicContact CE2-CE2 3.69Å; Y9-Y203 HydrophobicContact CG-CD2 4.29Å; Y9-Y203 AromaticContact CZ-CD2 3.55Å; Y9-Y203 AromaticContact CZ-CE2 2.97Å; Y9-Y203 AromaticContact CZ-CZ 3.59Å; Y9-Y203 WeakPolarHBondContact OH-CE2 3.35Å; Y9-Y203 VanDerWaalsContact OH-CZ 3.3Å; Y9-Y203 PolarHBondContact OH-OH 2.62Å; Y9-E299 PolarHBondContact OH-OE1 3.1Å; Y9-E299 VanDerWaalsContact OH-OE1 3.1Å; Y9-E299 PolarHBondContact OH-OE2 3.38Å
10E48Very low48Very low108 Ų10899 Ų9951%0.50555%0.551SS.*THydrogen-bonded Turntrans-57.6-22.9169.5-64.3-166.1166.900112.1D8 Y190 H208 Y298D8-E10 PolarHBondContact O-N 2.97Å; E10-Y190 PolarHBondContact OE1-OH 3.31Å; E10-H208 IonicContact OE1-CE1 2.63Å; E10-Y298 PolarHBondContact O-OH 2.99Å
11S49.5Very low49Very low59 Ų5996.4 Ų96.441%0.41353%0.534SS..SBendtrans-100.9141.1173.174.10000112.3D8 Y9D8-S11 WeakPolarHBondContact O-CA 3.29Å; D8-S11 WeakPolarHBondContact O-CB 3.13Å; D8-S11 PolarHBondContact O-N 3.42Å; D8-S11 PolarHBondContact O-OG 3.47Å; Y9-S11 PolarHBondContact O-N 2.67Å
12L46.7Very low50.8Low7 Ų787.4 Ų87.44%0.03749%0.49CS..PPolyproline II helixtrans-60.9150.4161.9-91165.9000108.9S14 H21 K302 K306L12-S14 PolarHBondContact O-N 3.21Å; L12-H21 WeakPolarHBondContact CB-CE1 3.15Å; L12-H21 VanDerWaalsContact CB-ND1 3.35Å; L12-H21 WeakPolarHBondContact CB-ND1 3.45Å; L12-H21 HydrophobicContact CD1-CB 4.41Å; L12-K302 HydrophobicContact CD2-CB 3.9Å; L12-K302 HydrophobicContact CD2-CD 3.54Å; L12-K302 HydrophobicContact CD2-CG 3.39Å; L12-K302 HydrophobicContact CG-CB 4.28Å; L12-K302 HydrophobicContact CG-CD 3.86Å; L12-K302 HydrophobicContact CG-CG 4.09Å; L12-K306 HydrophobicContact CD2-CG 4.31Å
13P42.6Very low52.6Low28 Ų2887.2 Ų87.218%0.18248%0.479CS..PPolyproline II helixtrans-51136.7-177.9-23.131.4000111.4T15 S16P13-T15 PolarHBondContact O-N 3.21Å; P13-S16 PolarHBondContact O-N 3.1Å
14S51.4Low54.5Low104 Ų10480.6 Ų80.673%0.72744%0.443SS*.THydrogen-bonded Turntrans-54.7-16.1179.760.60000114.1L12L12-S14 PolarHBondContact O-N 3.21Å
15T49.8Very low56.4Low123 Ų12373.6 Ų73.676%0.75542%0.418SS*.THydrogen-bonded Turntrans-75.9-17.6176.756.20000114.5P13P13-T15 PolarHBondContact O-N 3.21Å
16S56.3Low58.3Low29 Ų2968.2 Ų68.220%0.20339%0.392CS..SBendtrans-79.1128.3176.6-67.30000109.9P13 L18 H21P13-S16 PolarHBondContact O-N 3.1Å; S16-L18 PolarHBondContact O-N 3.07Å; S16-H21 WeakPolarHBondContact CB-NE2 3.44Å; S16-H21 PolarHBondContact O-NE2 3.36Å; S16-H21 VanDerWaalsContact O-NE2 3.17Å
17P63.1Low60.3Low71 Ų7164.5 Ų64.546%0.46137%0.366SS..  trans-62.6130.6-177.621.5-30.5000110.2P19 Q20P17-P19 WeakPolarHBondContact O-CD 3.44Å; P17-Q20 HydrophobicContact CG-CG 3.96Å; P17-Q20 WeakPolarHBondContact O-CB 3.01Å; P17-Q20 PolarHBondContact O-N 3.27Å
18L67.5Low62.2Low89 Ų8960.9 Ų60.947%0.46635%0.348SS..Hα-helixtrans-39.5-41.5-179.1-178.870.6000114.8S16 Q20 H21 M22 E99S16-L18 PolarHBondContact O-N 3.07Å; L18-Q20 VanDerWaalsContact C-N 3.28Å; L18-Q20 PolarHBondContact O-N 3.4Å; L18-H21 WeakPolarHBondContact O-CB 3.48Å; L18-H21 PolarHBondContact O-N 3.02Å; L18-M22 HydrophobicContact CD1-SD 4.49Å; L18-M22 HydrophobicContact CD2-SD 4.27Å; L18-M22 HydrophobicContact CG-CG 4.43Å; L18-M22 HydrophobicContact CG-SD 3.8Å; L18-M22 VanDerWaalsContact O-CG 3.24Å; L18-M22 WeakPolarHBondContact O-CG 3.42Å; L18-M22 PolarHBondContact O-N 3.22Å; L18-E99 HydrophobicContact CD2-CG 4.46Å
19P66.2Low63.9Low86 Ų8656.3 Ų56.356%0.55833%0.327SS*.Hα-helixtrans-57.4-32.7175.2-27.336.3000115.3P17 M22 F23P17-P19 WeakPolarHBondContact O-CD 3.44Å; P19-M22 PolarHBondContact O-N 2.93Å; P19-F23 WeakPolarHBondContact O-CB 3.34Å; P19-F23 PolarHBondContact O-N 3.18Å
20Q71.4Confident65.3Low69 Ų6954.2 Ų54.232%0.32232%0.321SS..Hα-helixtrans-69.6-42.8178-71.9-179.5-5.300111.3P17 L18 M22 F23 A24 L305P17-Q20 HydrophobicContact CG-CG 3.96Å; P17-Q20 WeakPolarHBondContact O-CB 3.01Å; P17-Q20 PolarHBondContact O-N 3.27Å; L18-Q20 VanDerWaalsContact C-N 3.28Å; L18-Q20 PolarHBondContact O-N 3.4Å; Q20-M22 VanDerWaalsContact C-N 3.26Å; Q20-M22 PolarHBondContact O-N 2.9Å; Q20-F23 PolarHBondContact O-N 3.48Å; Q20-A24 WeakPolarHBondContact O-CB 3.29Å; Q20-A24 PolarHBondContact O-N 3.04Å; Q20-L305 HydrophobicContact CB-CD1 4.17Å; Q20-L305 VanDerWaalsContact O-CD1 3.25Å; Q20-L305 WeakPolarHBondContact O-CD1 3.44Å
21H68.7Low67.1Low46 Ų4653.1 Ų53.121%0.21332%0.317CS..Hα-helixtrans-58.5-43.8172.9-65.4-124.1000110.7L12 S16 L18 G25L12-H21 WeakPolarHBondContact CB-CE1 3.15Å; L12-H21 VanDerWaalsContact CB-ND1 3.35Å; L12-H21 WeakPolarHBondContact CB-ND1 3.45Å; L12-H21 HydrophobicContact CD1-CB 4.41Å; S16-H21 WeakPolarHBondContact CB-NE2 3.44Å; S16-H21 PolarHBondContact O-NE2 3.36Å; S16-H21 VanDerWaalsContact O-NE2 3.17Å; L18-H21 WeakPolarHBondContact O-CB 3.48Å; L18-H21 PolarHBondContact O-N 3.02Å; H21-G25 PolarHBondContact O-N 3.46Å
22M70.6Confident68.8Low46 Ų4652.6 Ų52.623%0.22731%0.308CS..Hα-helixtrans-64.2-44179.5-67.6168.642.600111.8L18 P19 Q20 G25 A26 F95L18-M22 HydrophobicContact CD1-SD 4.49Å; L18-M22 HydrophobicContact CD2-SD 4.27Å; L18-M22 HydrophobicContact CG-CG 4.43Å; L18-M22 HydrophobicContact CG-SD 3.8Å; L18-M22 VanDerWaalsContact O-CG 3.24Å; L18-M22 WeakPolarHBondContact O-CG 3.42Å; L18-M22 PolarHBondContact O-N 3.22Å; P19-M22 PolarHBondContact O-N 2.93Å; Q20-M22 VanDerWaalsContact C-N 3.26Å; Q20-M22 PolarHBondContact O-N 2.9Å; M22-G25 PolarHBondContact O-N 3.43Å; M22-A26 WeakPolarHBondContact O-CB 3.14Å; M22-A26 PolarHBondContact O-N 3.25Å; M22-F95 HydrophobicContact CB-CD2 4.24Å; M22-F95 HydrophobicContact CB-CE2 3.93Å; M22-F95 HydrophobicContact CB-CZ 4.11Å; M22-F95 HydrophobicContact CE-CB 3.31Å; M22-F95 HydrophobicContact CE-CD1 4.01Å; M22-F95 HydrophobicContact CE-CD2 3.39Å; M22-F95 HydrophobicContact CE-CE2 4.16Å; M22-F95 HydrophobicContact CE-CG 3.3Å; M22-F95 HydrophobicContact CG-CD1 3.78Å; M22-F95 HydrophobicContact CG-CD2 3.98Å; M22-F95 HydrophobicContact CG-CE1 3.65Å; M22-F95 HydrophobicContact CG-CE2 3.85Å; M22-F95 HydrophobicContact CG-CG 3.96Å; M22-F95 HydrophobicContact CG-CZ 3.69Å; M22-F95 HydrophobicContact SD-CB 4.01Å; M22-F95 HydrophobicContact SD-CD1 3.81Å; M22-F95 HydrophobicContact SD-CD2 4.17Å; M22-F95 HydrophobicContact SD-CE1 4.31Å; M22-F95 HydrophobicContact SD-CG 3.75Å
23F73.8Confident70.6Confident131 Ų13155 Ų5558%0.57532%0.319SS*.Hα-helixtrans-65.7-45.4178.2-175.5-102.8000111.8P19 Q20 G25 A26 C27P19-F23 WeakPolarHBondContact O-CB 3.34Å; P19-F23 PolarHBondContact O-N 3.18Å; Q20-F23 PolarHBondContact O-N 3.48Å; F23-G25 PolarHBondContact O-N 3.05Å; F23-A26 PolarHBondContact O-N 3.29Å; F23-C27 VanDerWaalsContact CZ-SG 3.59Å; F23-C27 WeakPolarHBondContact O-CB 3.23Å; F23-C27 PolarHBondContact O-N 3.01Å; F23-C27 PolarHBondContact O-SG 2.98Å; F23-C27 VanDerWaalsContact O-SG 3.37Å
24A73.6Confident72.7Confident2 Ų256.2 Ų56.22%0.01732%0.323CS..Hα-helixtrans-57.8-47.8173.400000112.3Q20 A26 C27 A28 F301 L305Q20-A24 WeakPolarHBondContact O-CB 3.29Å; Q20-A24 PolarHBondContact O-N 3.04Å; A24-A26 PolarHBondContact O-N 2.88Å; A24-C27 PolarHBondContact O-N 2.92Å; A24-A28 VanDerWaalsContact O-CB 3.24Å; A24-A28 WeakPolarHBondContact O-CB 3.31Å; A24-A28 PolarHBondContact O-N 2.99Å; A24-F301 HydrophobicContact CB-CB 3.64Å; A24-F301 HydrophobicContact CB-CG 4.41Å; A24-L305 HydrophobicContact CB-CD1 3.43Å; A24-L305 VanDerWaalsContact CB-CD1 3.43Å
25G75.1Confident74.4Confident29 Ų2954.9 Ų54.930%0.29931%0.311SS..Hα-helixtrans-61.4-42.6177.700000112.6H21 M22 F23 A28 G29H21-G25 PolarHBondContact O-N 3.46Å; M22-G25 PolarHBondContact O-N 3.43Å; F23-G25 PolarHBondContact O-N 3.05Å; G25-A28 WeakPolarHBondContact O-CB 3.47Å; G25-A28 PolarHBondContact O-N 3.29Å; G25-G29 PolarHBondContact O-N 2.93Å
26A77Confident76.3Confident20 Ų2050.3 Ų50.317%0.16528%0.281CS..Hα-helixtrans-64.9-45.8177.100000112M22 F23 A24 A28 G29 I30M22-A26 WeakPolarHBondContact O-CB 3.14Å; M22-A26 PolarHBondContact O-N 3.25Å; F23-A26 PolarHBondContact O-N 3.29Å; A24-A26 PolarHBondContact O-N 2.88Å; A26-A28 VanDerWaalsContact C-N 3.26Å; A26-A28 PolarHBondContact O-N 3.41Å; A26-G29 PolarHBondContact O-N 3.24Å; A26-I30 WeakPolarHBondContact O-CB 3.42Å; A26-I30 VanDerWaalsContact O-CG1 3.26Å; A26-I30 WeakPolarHBondContact O-CG1 3.4Å; A26-I30 PolarHBondContact O-N 2.83Å
27C79.5Confident77.9Confident30 Ų3049 Ų4920%0.20327%0.271CS..Hα-helixtrans-62.4-36.7174.1-69.80000111.7F23 A24 I30 M31 F301F23-C27 VanDerWaalsContact CZ-SG 3.59Å; F23-C27 WeakPolarHBondContact O-CB 3.23Å; F23-C27 PolarHBondContact O-N 3.01Å; F23-C27 PolarHBondContact O-SG 2.98Å; F23-C27 VanDerWaalsContact O-SG 3.37Å; A24-C27 PolarHBondContact O-N 2.92Å; C27-I30 PolarHBondContact O-N 2.76Å; C27-M31 WeakPolarHBondContact O-CB 3.37Å; C27-M31 PolarHBondContact O-N 3.24Å; C27-F301 HydrophobicContact CB-CD1 4.19Å; C27-F301 HydrophobicContact CB-CD2 4.25Å; C27-F301 HydrophobicContact CB-CE1 3.63Å; C27-F301 HydrophobicContact CB-CE2 3.7Å; C27-F301 HydrophobicContact CB-CG 4.5Å; C27-F301 HydrophobicContact CB-CZ 3.38Å
28A79.3Confident79.3Confident6 Ų646.8 Ų46.85%0.0526%0.257CS..Hα-helixtrans-64.3-49.5177.500000112.2A24 G25 A26 I30 M31 E32 V297 F301A24-A28 VanDerWaalsContact O-CB 3.24Å; A24-A28 WeakPolarHBondContact O-CB 3.31Å; A24-A28 PolarHBondContact O-N 2.99Å; G25-A28 WeakPolarHBondContact O-CB 3.47Å; G25-A28 PolarHBondContact O-N 3.29Å; A26-A28 VanDerWaalsContact C-N 3.26Å; A26-A28 PolarHBondContact O-N 3.41Å; A28-I30 VanDerWaalsContact C-N 3.34Å; A28-I30 PolarHBondContact O-N 2.97Å; A28-M31 PolarHBondContact O-N 3.29Å; A28-E32 WeakPolarHBondContact O-CB 3.43Å; A28-E32 PolarHBondContact O-N 2.87Å; A28-V297 HydrophobicContact CB-CB 4.31Å; A28-V297 HydrophobicContact CB-CG1 3.55Å; A28-F301 HydrophobicContact CB-CD2 4.05Å; A28-F301 HydrophobicContact CB-CE2 4.45Å
29G79.5Confident80.4Confident15 Ų1543.6 Ų43.616%0.15524%0.242CC..Hα-helixtrans-62.3-39.1176.600000112.8G25 A26 E32 H33G25-G29 PolarHBondContact O-N 2.93Å; A26-G29 PolarHBondContact O-N 3.24Å; G29-E32 PolarHBondContact O-N 3.47Å; G29-H33 WeakPolarHBondContact O-CB 3.4Å; G29-H33 PolarHBondContact O-CD2 3.24Å; G29-H33 PolarHBondContact O-N 3.4Å
30I82.6Confident81.6Confident40 Ų4040.4 Ų40.421%0.20522%0.22CC..Hα-helixtrans-62.8-47.2175.2-70.7166000110.9A26 C27 A28 H33 I34 I84 A87A26-I30 WeakPolarHBondContact O-CB 3.42Å; A26-I30 VanDerWaalsContact O-CG1 3.26Å; A26-I30 WeakPolarHBondContact O-CG1 3.4Å; A26-I30 PolarHBondContact O-N 2.83Å; C27-I30 PolarHBondContact O-N 2.76Å; A28-I30 VanDerWaalsContact C-N 3.34Å; A28-I30 PolarHBondContact O-N 2.97Å; I30-H33 PolarHBondContact O-N 3.3Å; I30-I34 HydrophobicContact CG2-CD1 3.84Å; I30-I34 VanDerWaalsContact O-CG1 3.31Å; I30-I34 WeakPolarHBondContact O-CG1 3.18Å; I30-I34 PolarHBondContact O-N 3.27Å; I30-I84 HydrophobicContact CG2-CG1 3.93Å; I30-A87 HydrophobicContact CG1-CB 4.21Å
31M84.9Confident82.6Confident86 Ų8637.2 Ų37.242%0.42421%0.205SC..Hα-helixtrans-63.2-44.5179.2-17664.273.400111.3C27 A28 H33 I34 V35 V297C27-M31 WeakPolarHBondContact O-CB 3.37Å; C27-M31 PolarHBondContact O-N 3.24Å; A28-M31 PolarHBondContact O-N 3.29Å; M31-H33 VanDerWaalsContact C-N 3.31Å; M31-H33 PolarHBondContact O-N 2.73Å; M31-I34 PolarHBondContact O-N 3.24Å; M31-V35 WeakPolarHBondContact O-CG2 3.02Å; M31-V35 PolarHBondContact O-N 3.41Å; M31-V35 HydrophobicContact SD-CG2 4.36Å; M31-V297 HydrophobicContact CB-CG1 4.06Å; M31-V297 HydrophobicContact CG-CG1 4.31Å; M31-V297 HydrophobicContact CG-CG2 4.19Å
32E84.6Confident83.7Confident47 Ų4735 Ų3522%0.2220%0.195CC..Hα-helixtrans-54.7-49.4175.5-171.3-165.2140.400110.8A28 G29 I34 V35 M36 L293 S294A28-E32 WeakPolarHBondContact O-CB 3.43Å; A28-E32 PolarHBondContact O-N 2.87Å; G29-E32 PolarHBondContact O-N 3.47Å; E32-I34 VanDerWaalsContact C-N 3.35Å; E32-I34 PolarHBondContact O-N 3.3Å; E32-V35 PolarHBondContact O-N 2.97Å; E32-M36 HydrophobicContact CG-CG 4.46Å; E32-M36 VanDerWaalsContact O-CB 3.31Å; E32-M36 WeakPolarHBondContact O-CB 3.36Å; E32-M36 WeakPolarHBondContact O-CG 3.14Å; E32-M36 PolarHBondContact O-N 3.34Å; E32-L293 HydrophobicContact CB-CD2 4.32Å; E32-L293 HydrophobicContact CG-CD2 3.85Å; E32-L293 HydrophobicContact CG-CG 4.27Å; E32-S294 VanDerWaalsContact OE2-CB 3.24Å; E32-S294 WeakPolarHBondContact OE2-CB 3.24Å; E32-S294 PolarHBondContact OE2-OG 3.44Å
33H85Confident84.7Confident57 Ų5734.7 Ų34.726%0.26419%0.192SC..Hα-helixtrans-64.3-34.4179.2-78.5-48.7000114.1G29 I30 M31 Y37 V83G29-H33 WeakPolarHBondContact O-CB 3.4Å; G29-H33 PolarHBondContact O-CD2 3.24Å; G29-H33 PolarHBondContact O-N 3.4Å; I30-H33 PolarHBondContact O-N 3.3Å; M31-H33 VanDerWaalsContact C-N 3.31Å; M31-H33 PolarHBondContact O-N 2.73Å; H33-Y37 VanDerWaalsContact O-CB 3.32Å; H33-Y37 WeakPolarHBondContact O-CB 3.34Å; H33-Y37 PolarHBondContact O-N 3.27Å; H33-Y37 VanDerWaalsContact O-N 3.11Å; H33-V83 HydrophobicContact CB-CB 4.49Å; H33-V83 HydrophobicContact CB-CG1 3.58Å; H33-V83 VanDerWaalsContact CD2-CG1 3.46Å; H33-V83 WeakPolarHBondContact CD2-CG1 3.38Å
34I87.4Confident85.6Confident55 Ų5528.5 Ų28.528%0.28217%0.165SC..Hα-helixtrans-67.4-47.7176.7-69.7165.7000110I30 M31 E32 Y37 I84I30-I34 HydrophobicContact CG2-CD1 3.84Å; I30-I34 VanDerWaalsContact O-CG1 3.31Å; I30-I34 WeakPolarHBondContact O-CG1 3.18Å; I30-I34 PolarHBondContact O-N 3.27Å; M31-I34 PolarHBondContact O-N 3.24Å; E32-I34 VanDerWaalsContact C-N 3.35Å; E32-I34 PolarHBondContact O-N 3.3Å; I34-Y37 VanDerWaalsContact O-CB 3.24Å; I34-Y37 WeakPolarHBondContact O-CB 3.35Å; I34-Y37 PolarHBondContact O-N 3.47Å; I34-I84 HydrophobicContact CD1-CD1 4.06Å; I34-I84 HydrophobicContact CD1-CG1 4.43Å; I34-I84 HydrophobicContact CG1-CD1 4.43Å
35V87.7Confident86.4Confident76 Ų7628.8 Ų28.846%0.46117%0.166SC..Hα-helixtrans-67.5-40.2-178.6172.10000111.3M31 E32 Y37 P38 L293M31-V35 WeakPolarHBondContact O-CG2 3.02Å; M31-V35 PolarHBondContact O-N 3.41Å; M31-V35 HydrophobicContact SD-CG2 4.36Å; E32-V35 PolarHBondContact O-N 2.97Å; V35-Y37 PolarHBondContact O-N 3Å; V35-P38 WeakPolarHBondContact O-CD 3.46Å; V35-L293 HydrophobicContact CB-CD1 4.49Å; V35-L293 HydrophobicContact CB-CD2 3.76Å; V35-L293 HydrophobicContact CG1-CD1 4.16Å; V35-L293 HydrophobicContact CG1-CD2 3.64Å
36M89.4Confident87.1Confident27 Ų2728.3 Ų28.313%0.13316%0.156CC..THydrogen-bonded Turntrans-81.1-0.6178.2-67-60.5-70.400113.7E32 V39 D40 T286 L293E32-M36 HydrophobicContact CG-CG 4.46Å; E32-M36 VanDerWaalsContact O-CB 3.31Å; E32-M36 WeakPolarHBondContact O-CB 3.36Å; E32-M36 WeakPolarHBondContact O-CG 3.14Å; E32-M36 PolarHBondContact O-N 3.34Å; M36-V39 HydrophobicContact CE-CB 4.28Å; M36-V39 HydrophobicContact CE-CG1 3.94Å; M36-V39 HydrophobicContact CE-CG2 4.44Å; M36-V39 WeakPolarHBondContact O-CB 3.44Å; M36-V39 PolarHBondContact O-N 3.41Å; M36-D40 PolarHBondContact O-N 2.96Å; M36-T286 HydrophobicContact CE-CG2 4Å; M36-L293 HydrophobicContact CG-CD2 3.77Å; M36-L293 HydrophobicContact SD-CD2 4.28Å
37Y90.2Very high87.8Confident0 Ų027.4 Ų27.40%015%0.148CC..Hα-helixtrans-61.6-44-174.5-161.9-88.2000114.5H33 I34 V35 V39 D40 C41 S76 L77 K78 G79 V83 K139 Q143H33-Y37 VanDerWaalsContact O-CB 3.32Å; H33-Y37 WeakPolarHBondContact O-CB 3.34Å; H33-Y37 PolarHBondContact O-N 3.27Å; H33-Y37 VanDerWaalsContact O-N 3.11Å; I34-Y37 VanDerWaalsContact O-CB 3.24Å; I34-Y37 WeakPolarHBondContact O-CB 3.35Å; I34-Y37 PolarHBondContact O-N 3.47Å; V35-Y37 PolarHBondContact O-N 3Å; Y37-V39 VanDerWaalsContact C-N 3.27Å; Y37-V39 PolarHBondContact O-N 3.33Å; Y37-D40 WeakPolarHBondContact O-CB 3.38Å; Y37-D40 PolarHBondContact O-N 3.22Å; Y37-C41 PolarHBondContact O-N 3.43Å; Y37-S76 WeakPolarHBondContact CD1-O 3.29Å; Y37-S76 WeakPolarHBondContact CE1-O 3.36Å; Y37-L77 HydrophobicContact CD1-CD2 4.24Å; Y37-L77 HydrophobicContact CG-CD2 4.37Å; Y37-K78 WeakPolarHBondContact CE1-O 3.49Å; Y37-K78 PolarHBondContact OH-O 3.16Å; Y37-G79 VanDerWaalsContact CZ-C 3.45Å; Y37-G79 WeakPolarHBondContact OH-CA 3.38Å; Y37-V83 HydrophobicContact CE2-CG2 4.32Å; Y37-K139 HydrophobicContact CE2-CG 4.01Å; Y37-Q143 HydrophobicContact CE1-CG 4.2Å
38P91.2Very high88Confident25 Ų2526.7 Ų26.716%0.16214%0.143CC..Hα-helixtrans-62.4-37.1178.3-22.735000112.4V35 C41 V42 L64 L67 L77V35-P38 WeakPolarHBondContact O-CD 3.46Å; P38-C41 WeakPolarHBondContact O-CB 3.47Å; P38-C41 PolarHBondContact O-N 3.02Å; P38-V42 PolarHBondContact O-N 3.03Å; P38-V42 VanDerWaalsContact O-N 3.17Å; P38-L64 HydrophobicContact CB-CD2 4.18Å; P38-L67 HydrophobicContact CB-CD2 4.19Å; P38-L67 WeakPolarHBondContact O-CD2 3.37Å; P38-L77 HydrophobicContact CG-CD2 4.25Å
39V91.6Very high87.6Confident23 Ų2327 Ų2714%0.13914%0.144CC..Hα-helixtrans-64.3-46.8175.4168.70000110.9M36 Y37 C41 V42 K43 L60 L64 T286M36-V39 HydrophobicContact CE-CB 4.28Å; M36-V39 HydrophobicContact CE-CG1 3.94Å; M36-V39 HydrophobicContact CE-CG2 4.44Å; M36-V39 WeakPolarHBondContact O-CB 3.44Å; M36-V39 PolarHBondContact O-N 3.41Å; Y37-V39 VanDerWaalsContact C-N 3.27Å; Y37-V39 PolarHBondContact O-N 3.33Å; V39-C41 PolarHBondContact O-N 3.19Å; V39-V42 PolarHBondContact O-N 2.86Å; V39-K43 PolarHBondContact O-N 2.78Å; V39-L60 HydrophobicContact CG1-CD1 4.13Å; V39-L64 HydrophobicContact CG2-CD1 4.22Å; V39-L64 HydrophobicContact CG2-CD2 4.06Å; V39-T286 HydrophobicContact CB-CG2 4.41Å; V39-T286 HydrophobicContact CG1-CG2 3.09Å
40D91.1Very high87.1Confident18 Ų1832.6 Ų32.610%0.09616%0.161CC..Hα-helixtrans-59.8-37.3175.4-84.1-21.6000111.8M36 Y37 K43 T44 K139M36-D40 PolarHBondContact O-N 2.96Å; Y37-D40 WeakPolarHBondContact O-CB 3.38Å; Y37-D40 PolarHBondContact O-N 3.22Å; D40-K43 WeakPolarHBondContact O-CB 3.26Å; D40-K43 PolarHBondContact O-N 3.08Å; D40-K43 IonicContact OD1-NZ 3.47Å; D40-K43 PolarHBondContact OD1-NZ 3.02Å; D40-T44 WeakPolarHBondContact O-CB 3.47Å; D40-T44 PolarHBondContact O-N 3.45Å; D40-T44 PolarHBondContact O-OG1 3.28Å; D40-T44 VanDerWaalsContact O-OG1 3.07Å; D40-K139 IonicContact OD2-NZ 3.14Å; D40-K139 PolarHBondContact OD2-NZ 2.66Å
41C91.1Very high86Confident3 Ų332.6 Ų32.62%0.0216%0.163CC..Hα-helixtrans-60.3-48.5176.4-170.60000111.4Y37 P38 V39 K43 T44 R45 L67 Q143Y37-C41 PolarHBondContact O-N 3.43Å; P38-C41 WeakPolarHBondContact O-CB 3.47Å; P38-C41 PolarHBondContact O-N 3.02Å; V39-C41 PolarHBondContact O-N 3.19Å; C41-K43 PolarHBondContact O-N 2.99Å; C41-T44 PolarHBondContact O-N 3.29Å; C41-R45 VanDerWaalsContact O-CG 3.3Å; C41-R45 WeakPolarHBondContact O-CG 3.49Å; C41-R45 PolarHBondContact O-N 3.46Å; C41-R45 VanDerWaalsContact SG-CZ 3.56Å; C41-R45 PolarHBondContact SG-NE 3.27Å; C41-R45 VanDerWaalsContact SG-NE 3.38Å; C41-R45 PolarHBondContact SG-NH2 2.99Å; C41-L67 HydrophobicContact CB-CD2 3.96Å; C41-Q143 HydrophobicContact CB-CB 4.41Å; C41-Q143 HydrophobicContact CB-CG 4.15Å; C41-Q143 PolarHBondContact SG-O 2.92Å
42V92Very high84.7Confident0 Ų032.3 Ų32.30%017%0.166CC..Hα-helixtrans-62.1-43.4176178.90000111.2P38 V39 T44 R45 M46 L60 G63 L64 L67P38-V42 PolarHBondContact O-N 3.03Å; P38-V42 VanDerWaalsContact O-N 3.17Å; V39-V42 PolarHBondContact O-N 2.86Å; V42-T44 PolarHBondContact O-N 2.81Å; V42-R45 PolarHBondContact O-N 2.93Å; V42-M46 HydrophobicContact CG1-CG 4.18Å; V42-M46 HydrophobicContact CG1-SD 3.84Å; V42-M46 WeakPolarHBondContact O-CB 3.25Å; V42-M46 VanDerWaalsContact O-CG 3.26Å; V42-M46 WeakPolarHBondContact O-CG 3.46Å; V42-M46 PolarHBondContact O-N 3.44Å; V42-L60 HydrophobicContact CB-CD1 4.01Å; V42-L60 HydrophobicContact CG1-CD1 3.91Å; V42-G63 VanDerWaalsContact CG2-C 3.49Å; V42-L64 HydrophobicContact CG2-CD2 3.85Å; V42-L64 HydrophobicContact CG2-CG 4.06Å; V42-L67 HydrophobicContact CG2-CB 4.28Å; V42-L67 HydrophobicContact CG2-CD2 3.9Å
43K92.5Very high83.5Confident39 Ų3933.1 Ų33.117%0.1719%0.187CC..Hα-helixtrans-56.9-51.5176.5-178.8-174.374.3-162.10111.7V39 D40 C41 R45 M46 Q47 A282 R283V39-K43 PolarHBondContact O-N 2.78Å; D40-K43 WeakPolarHBondContact O-CB 3.26Å; D40-K43 PolarHBondContact O-N 3.08Å; D40-K43 IonicContact OD1-NZ 3.47Å; D40-K43 PolarHBondContact OD1-NZ 3.02Å; C41-K43 PolarHBondContact O-N 2.99Å; K43-R45 VanDerWaalsContact C-N 3.29Å; K43-R45 PolarHBondContact O-N 3.41Å; K43-M46 PolarHBondContact O-N 2.96Å; K43-Q47 WeakPolarHBondContact O-CG 3.45Å; K43-Q47 PolarHBondContact O-N 3Å; K43-A282 HydrophobicContact CB-CB 3.9Å; K43-A282 HydrophobicContact CG-CB 4.07Å; K43-R283 HydrophobicContact CD-CG 3.97Å
44T91.8Very high82.1Confident1 Ų134.8 Ų34.81%0.00621%0.205CC..Hα-helixtrans-58-42.8179-64.60000111D40 C41 V42 Q47 C48 Q140 Q143 L144 T231 T235D40-T44 WeakPolarHBondContact O-CB 3.47Å; D40-T44 PolarHBondContact O-N 3.45Å; D40-T44 PolarHBondContact O-OG1 3.28Å; D40-T44 VanDerWaalsContact O-OG1 3.07Å; C41-T44 PolarHBondContact O-N 3.29Å; V42-T44 PolarHBondContact O-N 2.81Å; T44-Q47 PolarHBondContact O-N 3.49Å; T44-C48 PolarHBondContact O-N 3.39Å; T44-C48 PolarHBondContact O-SG 3.29Å; T44-Q140 HydrophobicContact CG2-CB 4.2Å; T44-Q140 HydrophobicContact CG2-CG 4.44Å; T44-Q143 HydrophobicContact CG2-CB 3.96Å; T44-Q143 PolarHBondContact OG1-OE1 3.29Å; T44-L144 HydrophobicContact CG2-CD2 4.49Å; T44-T231 HydrophobicContact CG2-CG2 3.95Å; T44-T235 HydrophobicContact CG2-CG2 4.04Å
45R90.7Very high80.9Confident7 Ų732.5 Ų32.53%0.02619%0.194CC..Hα-helixtrans-68.1-39177-67.1174.2-172.7-166.8-0.6113.2C41 V42 K43 Q47 C48 Y57 L67 E71 Q143C41-R45 VanDerWaalsContact O-CG 3.3Å; C41-R45 WeakPolarHBondContact O-CG 3.49Å; C41-R45 PolarHBondContact O-N 3.46Å; C41-R45 VanDerWaalsContact SG-CZ 3.56Å; C41-R45 PolarHBondContact SG-NE 3.27Å; C41-R45 VanDerWaalsContact SG-NE 3.38Å; C41-R45 PolarHBondContact SG-NH2 2.99Å; V42-R45 PolarHBondContact O-N 2.93Å; K43-R45 VanDerWaalsContact C-N 3.29Å; K43-R45 PolarHBondContact O-N 3.41Å; R45-Q47 VanDerWaalsContact C-N 3.27Å; R45-Q47 PolarHBondContact O-N 3.29Å; R45-C48 WeakPolarHBondContact O-CB 3.19Å; R45-C48 PolarHBondContact O-N 3.11Å; R45-Y57 HydrophobicContact CB-CD2 3.75Å; R45-Y57 HydrophobicContact CB-CE2 3.69Å; R45-Y57 HydrophobicContact CG-CE2 4.2Å; R45-Y57 PolarHBondContact NH1-OH 3.1Å; R45-L67 VanDerWaalsContact NH1-CD1 3.29Å; R45-E71 IonicContact CZ-OE1 3.2Å; R45-E71 IonicContact CZ-OE2 3.51Å; R45-E71 IonicContact NH1-OE1 2.75Å; R45-E71 PolarHBondContact NH1-OE1 3.3Å; R45-E71 IonicContact NH1-OE2 3.24Å; R45-E71 IonicContact NH2-OE1 3.91Å; R45-E71 PolarHBondContact NH2-OE1 2.95Å; R45-E71 IonicContact NH2-OE2 2.77Å; R45-E71 PolarHBondContact NH2-OE2 3.48Å; R45-Q143 WeakPolarHBondContact CG-O 3.2Å; R45-Q143 PolarHBondContact NE-O 3.47Å
46M90Very high80Confident20 Ų2034 Ų3410%0.09920%0.2CC..Hα-helixtrans-63.9-33174.8-73.3176.872.900112.4V42 K43 C48 R278 S281 A282V42-M46 HydrophobicContact CG1-CG 4.18Å; V42-M46 HydrophobicContact CG1-SD 3.84Å; V42-M46 WeakPolarHBondContact O-CB 3.25Å; V42-M46 VanDerWaalsContact O-CG 3.26Å; V42-M46 WeakPolarHBondContact O-CG 3.46Å; V42-M46 PolarHBondContact O-N 3.44Å; K43-M46 PolarHBondContact O-N 2.96Å; M46-C48 VanDerWaalsContact C-N 3.31Å; M46-R278 WeakPolarHBondContact O-CD 3.48Å; M46-S281 WeakPolarHBondContact CE-OG 3.23Å; M46-A282 HydrophobicContact SD-CB 4.25Å
47Q91.1Very high79.4Confident0 Ų033.6 Ų33.60%020%0.197CC..Hα-helixtrans-80.5-11178.6-70.8176.1-19.400113.4K43 T44 R45 L49 D227 V228 T231K43-Q47 WeakPolarHBondContact O-CG 3.45Å; K43-Q47 PolarHBondContact O-N 3Å; T44-Q47 PolarHBondContact O-N 3.49Å; R45-Q47 VanDerWaalsContact C-N 3.27Å; R45-Q47 PolarHBondContact O-N 3.29Å; Q47-L49 PolarHBondContact O-N 3.42Å; Q47-D227 PolarHBondContact NE2-OD2 3.34Å; Q47-V228 HydrophobicContact CG-CG2 4.16Å; Q47-T231 HydrophobicContact CB-CG2 3.88Å; Q47-T231 VanDerWaalsContact OE1-CB 3.28Å; Q47-T231 PolarHBondContact OE1-OG1 2.91Å
48C84.9Confident78.9Confident15 Ų1538.5 Ų38.510%0.10123%0.228CC..  trans-67.3128.2172.6-66.60000110.4T44 R45 M46 L144 R278T44-C48 PolarHBondContact O-N 3.39Å; T44-C48 PolarHBondContact O-SG 3.29Å; R45-C48 WeakPolarHBondContact O-CB 3.19Å; R45-C48 PolarHBondContact O-N 3.11Å; M46-C48 VanDerWaalsContact C-N 3.31Å; C48-L144 WeakPolarHBondContact SG-CD2 3.27Å; C48-R278 PolarHBondContact O-NH1 2.87Å
49L71Confident78.7Confident13 Ų1338.1 Ų38.17%0.06823%0.229CC..SBendtrans-78.3-30.5178.4-69.4-179.6000113Q47 P51 L232 Y266 V267 M270 T271 R278Q47-L49 PolarHBondContact O-N 3.42Å; L49-P51 VanDerWaalsContact C-CD 3.48Å; L49-P51 WeakPolarHBondContact O-CD 3.42Å; L49-L232 HydrophobicContact CB-CD2 4.25Å; L49-L232 HydrophobicContact CD1-CD1 3.56Å; L49-L232 HydrophobicContact CD1-CD2 4.32Å; L49-L232 HydrophobicContact CG-CD1 3.82Å; L49-L232 HydrophobicContact CG-CD2 3.92Å; L49-L232 HydrophobicContact CG-CG 4.5Å; L49-Y266 HydrophobicContact CD1-CD1 3.99Å; L49-Y266 HydrophobicContact CD1-CE1 3.82Å; L49-V267 HydrophobicContact CD1-CB 4.19Å; L49-V267 HydrophobicContact CD1-CG1 4.4Å; L49-V267 HydrophobicContact CD1-CG2 3.81Å; L49-M270 HydrophobicContact CD1-CB 4.42Å; L49-T271 HydrophobicContact CD2-CG2 4.09Å; L49-R278 PolarHBondContact O-NH1 2.85Å
50R68.5Low78.6Confident133 Ų13337.4 Ų37.450%0.50222%0.224SC..SBendtrans-108.382.8174.4-68.7-176.3174.9144.33.5110.3V52 E256 Y266R50-V52 PolarHBondContact O-N 3.19Å; R50-E256 IonicContact CZ-OE1 3.01Å; R50-E256 IonicContact CZ-OE2 2.67Å; R50-E256 VanDerWaalsContact NH1-CD 3.29Å; R50-E256 IonicContact NH1-OE1 3.61Å; R50-E256 PolarHBondContact NH1-OE1 2.99Å; R50-E256 IonicContact NH1-OE2 3.8Å; R50-E256 PolarHBondContact NH1-OE2 3.43Å; R50-E256 IonicContact NH2-OE1 2.67Å; R50-E256 PolarHBondContact NH2-OE1 3.48Å; R50-E256 IonicContact NH2-OE2 3.97Å; R50-Y266 PolarHBondContact NH2-OH 3.47Å
51P59Low78.6Confident40 Ų4042.5 Ų42.526%0.2625%0.251SS..  trans-61.3120.3169.924.2-30000108.7L49 G53 N56L49-P51 VanDerWaalsContact C-CD 3.48Å; L49-P51 WeakPolarHBondContact O-CD 3.42Å; P51-G53 PolarHBondContact O-N 3.38Å; P51-N56 WeakPolarHBondContact CG-OD1 3.45Å
52V57.3Low78.6Confident80 Ų8045.3 Ų45.349%0.48527%0.268SS..  trans-76.5121.6172.8-179.90000108R50 S55R50-V52 PolarHBondContact O-N 3.19Å; V52-S55 WeakPolarHBondContact O-CB 3.25Å
53G59.3Low78.5Confident64 Ų6445.3 Ų45.366%0.6627%0.268SS*.THydrogen-bonded Turntrans65.3-137.3178.700000113.7P51 S55P51-G53 PolarHBondContact O-N 3.38Å; G53-S55 PolarHBondContact O-N 3.13Å
54S57.3Low78.5Confident91 Ų9145.1 Ų45.164%0.63627%0.269SS*.THydrogen-bonded Turntrans-77.521.5-176.9-600000115N56S54-N56 PolarHBondContact O-N 3.29Å
55S61.7Low78.5Confident7 Ų752.5 Ų52.55%0.04930%0.298CS..  trans-74.417.4-176.1-159.70000114.4V52 G53 Y57 Y145V52-S55 WeakPolarHBondContact O-CB 3.25Å; G53-S55 PolarHBondContact O-N 3.13Å; S55-Y57 WeakPolarHBondContact O-CD2 3.25Å; S55-Y57 PolarHBondContact O-N 3.17Å; S55-Y145 WeakPolarHBondContact OG-CB 3.47Å
56N69Low78.4Confident108 Ų10856.6 Ų56.658%0.57831%0.313SS*.  trans-74.399.4173-85.8-30.5000110.2P51 S54 P58 R66P51-N56 WeakPolarHBondContact CG-OD1 3.45Å; S54-N56 PolarHBondContact O-N 3.29Å; N56-P58 VanDerWaalsContact O-CD 3.23Å; N56-P58 WeakPolarHBondContact O-CD 3.42Å; N56-R66 PolarHBondContact O-NH1 2.8Å
57Y77.3Confident78.4Confident18 Ų1855.6 Ų55.67%0.07131%0.308CS..  trans-94.998171.8-66.6-72.8000109.7R45 S55 G59 G63 R66R45-Y57 HydrophobicContact CB-CD2 3.75Å; R45-Y57 HydrophobicContact CB-CE2 3.69Å; R45-Y57 HydrophobicContact CG-CE2 4.2Å; R45-Y57 PolarHBondContact NH1-OH 3.1Å; S55-Y57 WeakPolarHBondContact O-CD2 3.25Å; S55-Y57 PolarHBondContact O-N 3.17Å; Y57-G59 PolarHBondContact O-N 3.44Å; Y57-G63 VanDerWaalsContact CE1-CA 3.44Å; Y57-G63 WeakPolarHBondContact CE1-O 3.37Å; Y57-R66 HydrophobicContact CE1-CB 3.85Å
58P79.7Confident78.3Confident103 Ų10359.6 Ų59.667%0.66933%0.329SS*.SBendtrans-66.6-25-178.126.9-34.6000112.6N56 T62N56-P58 VanDerWaalsContact O-CD 3.23Å; N56-P58 WeakPolarHBondContact O-CD 3.42Å; P58-T62 HydrophobicContact CG-CG2 4.15Å
59G86.2Confident78.6Confident17 Ų1764.2 Ų64.218%0.17535%0.352CS..SBendtrans-159.7167.4178.500000112.3Y57 G63Y57-G59 PolarHBondContact O-N 3.44Å; G59-G63 PolarHBondContact O-N 2.93Å
60L89.8Confident79.3Confident8 Ų868.5 Ų68.54%0.04237%0.372CS..Hα-helixtrans-57.8-51.3-176.7176.764.8000112.3V39 V42 G63 L64 A282 L285 T286V39-L60 HydrophobicContact CG1-CD1 4.13Å; V42-L60 HydrophobicContact CB-CD1 4.01Å; V42-L60 HydrophobicContact CG1-CD1 3.91Å; L60-G63 CarbonylContact O-C 3.52Å; L60-G63 WeakPolarHBondContact O-CA 3.48Å; L60-G63 PolarHBondContact O-N 2.94Å; L60-G63 VanDerWaalsContact O-N 3.08Å; L60-L64 HydrophobicContact CD1-CD1 4.06Å; L60-L64 HydrophobicContact CD1-CG 4.09Å; L60-L64 HydrophobicContact CG-CD1 3.97Å; L60-L64 HydrophobicContact CG-CG 4.39Å; L60-L64 WeakPolarHBondContact O-CG 3.39Å; L60-L64 PolarHBondContact O-N 3.22Å; L60-A282 HydrophobicContact CB-CB 4.35Å; L60-A282 HydrophobicContact CD1-CB 4.03Å; L60-L285 HydrophobicContact CB-CD1 4.12Å; L60-L285 HydrophobicContact CD2-CB 3.79Å; L60-L285 HydrophobicContact CD2-CD1 4.17Å; L60-T286 HydrophobicContact CD2-CG2 3.73Å
61L91.5Very high80.1Confident126 Ų12664.9 Ų64.966%0.6636%0.36SS*.Hα-helixtrans-65.3-46.9-174.2-64.1177.9000112.4G63 L64 Y65L61-G63 PolarHBondContact O-N 3.17Å; L61-L64 PolarHBondContact O-N 2.81Å; L61-Y65 WeakPolarHBondContact O-CB 3.39Å; L61-Y65 PolarHBondContact O-N 3.19Å
62T90.6Very high81.4Confident62 Ų6264.3 Ų64.338%0.3836%0.362SS..Hα-helixtrans-59.2-34.9173.2-50.30000111P58 R66P58-T62 HydrophobicContact CG-CG2 4.15Å; T62-R66 WeakPolarHBondContact O-CB 3.06Å; T62-R66 VanDerWaalsContact O-CG 3.29Å; T62-R66 WeakPolarHBondContact O-CG 3.49Å; T62-R66 PolarHBondContact O-N 3.15Å
63G90Very high82.7Confident0 Ų064.9 Ų64.90%037%0.366CS..Hα-helixtrans-74.5-37.5177.500000115.5V42 Y57 G59 L60 L61 Y65 R66 L67V42-G63 VanDerWaalsContact CG2-C 3.49Å; Y57-G63 VanDerWaalsContact CE1-CA 3.44Å; Y57-G63 WeakPolarHBondContact CE1-O 3.37Å; G59-G63 PolarHBondContact O-N 2.93Å; L60-G63 CarbonylContact O-C 3.52Å; L60-G63 WeakPolarHBondContact O-CA 3.48Å; L60-G63 PolarHBondContact O-N 2.94Å; L60-G63 VanDerWaalsContact O-N 3.08Å; L61-G63 PolarHBondContact O-N 3.17Å; G63-Y65 VanDerWaalsContact C-N 3.35Å; G63-R66 PolarHBondContact O-N 3.49Å; G63-L67 WeakPolarHBondContact O-CB 3.23Å; G63-L67 PolarHBondContact O-N 3.36Å
64L91.5Very high83.7Confident35 Ų3566.9 Ų66.918%0.18337%0.369CS..Hα-helixtrans-62.1-46.5171.4-75.5170.8000110.4P38 V39 V42 L60 L61 R66 L67 I68P38-L64 HydrophobicContact CB-CD2 4.18Å; V39-L64 HydrophobicContact CG2-CD1 4.22Å; V39-L64 HydrophobicContact CG2-CD2 4.06Å; V42-L64 HydrophobicContact CG2-CD2 3.85Å; V42-L64 HydrophobicContact CG2-CG 4.06Å; L60-L64 HydrophobicContact CD1-CD1 4.06Å; L60-L64 HydrophobicContact CD1-CG 4.09Å; L60-L64 HydrophobicContact CG-CD1 3.97Å; L60-L64 HydrophobicContact CG-CG 4.39Å; L60-L64 WeakPolarHBondContact O-CG 3.39Å; L60-L64 PolarHBondContact O-N 3.22Å; L61-L64 PolarHBondContact O-N 2.81Å; L64-R66 PolarHBondContact O-N 3.38Å; L64-L67 PolarHBondContact O-N 3.45Å; L64-I68 VanDerWaalsContact O-CG1 3.3Å; L64-I68 WeakPolarHBondContact O-CG1 3.2Å; L64-I68 PolarHBondContact O-N 3Å
65Y92Very high84.7Confident156 Ų15663 Ų6361%0.61234%0.343SS*.Hα-helixtrans-57-50176.2179.3-106000111.8L61 G63 I68 L69L61-Y65 WeakPolarHBondContact O-CB 3.39Å; L61-Y65 PolarHBondContact O-N 3.19Å; G63-Y65 VanDerWaalsContact C-N 3.35Å; Y65-I68 PolarHBondContact O-N 3.11Å; Y65-L69 HydrophobicContact CD1-CD1 3.94Å; Y65-L69 HydrophobicContact CD2-CD1 4.39Å; Y65-L69 HydrophobicContact CE1-CD1 3.34Å; Y65-L69 HydrophobicContact CE1-CG 4.39Å; Y65-L69 HydrophobicContact CE2-CD1 3.85Å; Y65-L69 HydrophobicContact CE2-CG 4.25Å; Y65-L69 HydrophobicContact CG-CD1 4.44Å; Y65-L69 WeakPolarHBondContact O-CB 3.45Å; Y65-L69 WeakPolarHBondContact O-CG 3.41Å; Y65-L69 PolarHBondContact O-N 3.05Å
66R89.1Confident85.7Confident92 Ų9262.7 Ų62.735%0.34734%0.342SS..Hα-helixtrans-64.8-40.1177.6-75.2177.7-175.9-166.13.3113N56 Y57 T62 G63 L64 L69 Q70N56-R66 PolarHBondContact O-NH1 2.8Å; Y57-R66 HydrophobicContact CE1-CB 3.85Å; T62-R66 WeakPolarHBondContact O-CB 3.06Å; T62-R66 VanDerWaalsContact O-CG 3.29Å; T62-R66 WeakPolarHBondContact O-CG 3.49Å; T62-R66 PolarHBondContact O-N 3.15Å; G63-R66 PolarHBondContact O-N 3.49Å; L64-R66 PolarHBondContact O-N 3.38Å; R66-L69 PolarHBondContact O-N 2.96Å; R66-Q70 VanDerWaalsContact O-CB 3.25Å; R66-Q70 WeakPolarHBondContact O-CB 3.19Å; R66-Q70 VanDerWaalsContact O-CG 3.25Å; R66-Q70 WeakPolarHBondContact O-CG 3.45Å; R66-Q70 PolarHBondContact O-N 3.4Å
67L89.2Confident86.4Confident0 Ų060.1 Ų60.10%033%0.328CS..Hα-helixtrans-60.2-49.9177.6176.567.5000110.6P38 C41 V42 R45 G63 L64 Q70 E71P38-L67 HydrophobicContact CB-CD2 4.19Å; P38-L67 WeakPolarHBondContact O-CD2 3.37Å; C41-L67 HydrophobicContact CB-CD2 3.96Å; V42-L67 HydrophobicContact CG2-CB 4.28Å; V42-L67 HydrophobicContact CG2-CD2 3.9Å; R45-L67 VanDerWaalsContact NH1-CD1 3.29Å; G63-L67 WeakPolarHBondContact O-CB 3.23Å; G63-L67 PolarHBondContact O-N 3.36Å; L64-L67 PolarHBondContact O-N 3.45Å; L67-Q70 PolarHBondContact O-N 3.47Å; L67-E71 HydrophobicContact CD1-CB 4.38Å; L67-E71 WeakPolarHBondContact CD1-OE2 3.31Å; L67-E71 WeakPolarHBondContact O-CB 3.21Å; L67-E71 PolarHBondContact O-N 3.19Å
68I90.5Very high86.4Confident83 Ų8365 Ų6543%0.42635%0.349SS..Hα-helixtrans-65.3-41.9-179.3-65.5166.3000110.6L64 Y65 G72 V73L64-I68 VanDerWaalsContact O-CG1 3.3Å; L64-I68 WeakPolarHBondContact O-CG1 3.2Å; L64-I68 PolarHBondContact O-N 3Å; Y65-I68 PolarHBondContact O-N 3.11Å; I68-G72 WeakPolarHBondContact O-CA 3.45Å; I68-G72 PolarHBondContact O-N 3.22Å; I68-V73 HydrophobicContact CG2-CG2 4.46Å
69L89.8Confident86.4Confident113 Ų11360.4 Ų60.459%0.59232%0.321SS*.Hα-helixtrans-67.8-37.7178.7-77-173.6000113.9Y65 R66Y65-L69 HydrophobicContact CD1-CD1 3.94Å; Y65-L69 HydrophobicContact CD2-CD1 4.39Å; Y65-L69 HydrophobicContact CE1-CD1 3.34Å; Y65-L69 HydrophobicContact CE1-CG 4.39Å; Y65-L69 HydrophobicContact CE2-CD1 3.85Å; Y65-L69 HydrophobicContact CE2-CG 4.25Å; Y65-L69 HydrophobicContact CG-CD1 4.44Å; Y65-L69 WeakPolarHBondContact O-CB 3.45Å; Y65-L69 WeakPolarHBondContact O-CG 3.41Å; Y65-L69 PolarHBondContact O-N 3.05Å; R66-L69 PolarHBondContact O-N 2.96Å
70Q87.1Confident86.2Confident102 Ų10261.1 Ų61.148%0.47732%0.323SS..Hα-helixtrans-88.4-37.4-173.8-69179.8-23.500113.1R66 L67R66-Q70 VanDerWaalsContact O-CB 3.25Å; R66-Q70 WeakPolarHBondContact O-CB 3.19Å; R66-Q70 VanDerWaalsContact O-CG 3.25Å; R66-Q70 WeakPolarHBondContact O-CG 3.45Å; R66-Q70 PolarHBondContact O-N 3.4Å; L67-Q70 PolarHBondContact O-N 3.47Å
71E85.4Confident86Confident57 Ų5761.7 Ų61.727%0.26633%0.33SS..Hα-helixtrans-113.5-12.8-173.3-67.2174.6-149.700113.1R45 L67 G75R45-E71 IonicContact CZ-OE1 3.2Å; R45-E71 IonicContact CZ-OE2 3.51Å; R45-E71 IonicContact NH1-OE1 2.75Å; R45-E71 PolarHBondContact NH1-OE1 3.3Å; R45-E71 IonicContact NH1-OE2 3.24Å; R45-E71 IonicContact NH2-OE1 3.91Å; R45-E71 PolarHBondContact NH2-OE1 2.95Å; R45-E71 IonicContact NH2-OE2 2.77Å; R45-E71 PolarHBondContact NH2-OE2 3.48Å; L67-E71 HydrophobicContact CD1-CB 4.38Å; L67-E71 WeakPolarHBondContact CD1-OE2 3.31Å; L67-E71 WeakPolarHBondContact O-CB 3.21Å; L67-E71 PolarHBondContact O-N 3.19Å; E71-G75 VanDerWaalsContact O-CA 3.29Å; E71-G75 WeakPolarHBondContact O-CA 3.26Å; E71-G75 PolarHBondContact O-N 3.24Å
72G85.8Confident85.8Confident29 Ų2955.8 Ų55.830%0.29930%0.3SS..Hα-helixtrans70.8171.3-172.300000112.9I68 G75 S76I68-G72 WeakPolarHBondContact O-CA 3.45Å; I68-G72 PolarHBondContact O-N 3.22Å; G72-G75 PolarHBondContact O-N 3.11Å; G72-S76 PolarHBondContact O-N 3.2Å
73V83.6Confident85.5Confident92 Ų9253.2 Ų53.256%0.55828%0.284SS*.Hα-helixtrans-62.4-45.5177.3-179.70000110.6I68 G75 S76 L77I68-V73 HydrophobicContact CG2-CG2 4.46Å; V73-G75 VanDerWaalsContact C-N 3.33Å; V73-G75 PolarHBondContact O-N 2.92Å; V73-S76 PolarHBondContact O-N 3.13Å; V73-S76 PolarHBondContact O-OG 2.71Å; V73-L77 PolarHBondContact O-N 2.63Å
74S81Confident85.3Confident105 Ų10556.4 Ų56.473%0.73430%0.3SS*.Hα-helixtrans-64.5-35.2179.3-51.10000113
75G78.9Confident85.1Confident9 Ų962.8 Ų62.89%0.09332%0.322CS..Hα-helixtrans-67.4-41.417400000111.8E71 G72 V73 L77 K78E71-G75 VanDerWaalsContact O-CA 3.29Å; E71-G75 WeakPolarHBondContact O-CA 3.26Å; E71-G75 PolarHBondContact O-N 3.24Å; G72-G75 PolarHBondContact O-N 3.11Å; V73-G75 VanDerWaalsContact C-N 3.33Å; V73-G75 PolarHBondContact O-N 2.92Å; G75-L77 PolarHBondContact O-N 2.84Å; G75-K78 VanDerWaalsContact O-CB 3.27Å; G75-K78 WeakPolarHBondContact O-CB 3.25Å; G75-K78 VanDerWaalsContact O-CG 3.3Å; G75-K78 WeakPolarHBondContact O-CG 3.2Å; G75-K78 PolarHBondContact O-N 3.14Å
76S80.9Confident84.8Confident2 Ų255.8 Ų55.81%0.01430%0.297CS..Hα-helixtrans-61.2-29.4178.277.70000113.4Y37 G72 V73 K78Y37-S76 WeakPolarHBondContact CD1-O 3.29Å; Y37-S76 WeakPolarHBondContact CE1-O 3.36Å; G72-S76 PolarHBondContact O-N 3.2Å; V73-S76 PolarHBondContact O-N 3.13Å; V73-S76 PolarHBondContact O-OG 2.71Å; S76-K78 VanDerWaalsContact C-N 3.34Å
77L84.5Confident84.6Confident54 Ų5451.4 Ų51.428%0.28328%0.281SS..THydrogen-bonded Turntrans-85.71.4178.6-64.4179.4000114Y37 P38 V73 G75 G79 S80Y37-L77 HydrophobicContact CD1-CD2 4.24Å; Y37-L77 HydrophobicContact CG-CD2 4.37Å; P38-L77 HydrophobicContact CG-CD2 4.25Å; V73-L77 PolarHBondContact O-N 2.63Å; G75-L77 PolarHBondContact O-N 2.84Å; L77-G79 PolarHBondContact O-N 3Å; L77-S80 WeakPolarHBondContact O-CB 3.28Å; L77-S80 PolarHBondContact O-N 3.29Å; L77-S80 PolarHBondContact O-OG 3.48Å; L77-S80 VanDerWaalsContact O-OG 3.12Å
78K78Confident84.5Confident120 Ų12053 Ų5352%0.52230%0.298SS..THydrogen-bonded Turntrans-60.7113.6176.5-74.5177.2177.5176.70109.8Y37 G75 S76Y37-K78 WeakPolarHBondContact CE1-O 3.49Å; Y37-K78 PolarHBondContact OH-O 3.16Å; G75-K78 VanDerWaalsContact O-CB 3.27Å; G75-K78 WeakPolarHBondContact O-CB 3.25Å; G75-K78 VanDerWaalsContact O-CG 3.3Å; G75-K78 WeakPolarHBondContact O-CG 3.2Å; G75-K78 PolarHBondContact O-N 3.14Å; S76-K78 VanDerWaalsContact C-N 3.34Å
79G78.8Confident84.4Confident7 Ų752.3 Ų52.37%0.07230%0.298CS..THydrogen-bonded Turntrans1040.7-178.900000115.3Y37 L77 G81 A82Y37-G79 VanDerWaalsContact CZ-C 3.45Å; Y37-G79 WeakPolarHBondContact OH-CA 3.38Å; L77-G79 PolarHBondContact O-N 3Å; G79-G81 PolarHBondContact O-N 3.14Å; G79-G81 VanDerWaalsContact O-N 3.16Å; G79-A82 WeakPolarHBondContact O-CB 3.48Å; G79-A82 PolarHBondContact O-N 2.95Å
80S82.1Confident84.4Confident32 Ų3247 Ų4722%0.22427%0.27CS..Hα-helixtrans-52.1-35.4167.359.90000111.9L77 A82 V83 I84L77-S80 WeakPolarHBondContact O-CB 3.28Å; L77-S80 PolarHBondContact O-N 3.29Å; L77-S80 PolarHBondContact O-OG 3.48Å; L77-S80 VanDerWaalsContact O-OG 3.12Å; S80-A82 PolarHBondContact O-N 2.76Å; S80-V83 PolarHBondContact O-N 3.5Å; S80-I84 WeakPolarHBondContact O-CG1 3.45Å; S80-I84 PolarHBondContact O-N 3.2Å; S80-I84 VanDerWaalsContact O-N 3.09Å
81G85.6Confident84.3Confident19 Ų1944.3 Ų44.320%0.19626%0.258CS..Hα-helixtrans-57.1-31.3172.900000114G79 V83 I84 W85G79-G81 PolarHBondContact O-N 3.14Å; G79-G81 VanDerWaalsContact O-N 3.16Å; G81-V83 VanDerWaalsContact C-N 3.31Å; G81-V83 PolarHBondContact O-N 3.39Å; G81-I84 PolarHBondContact O-N 3.41Å; G81-W85 WeakPolarHBondContact O-CB 3.38Å; G81-W85 PolarHBondContact O-N 3.47Å
82A87.4Confident84.4Confident3 Ų344.6 Ų44.63%0.02527%0.27CS..Hα-helixtrans-63-41.1175.200000111.3G79 S80 G86 V138 K139 T152G79-A82 WeakPolarHBondContact O-CB 3.48Å; G79-A82 PolarHBondContact O-N 2.95Å; S80-A82 PolarHBondContact O-N 2.76Å; A82-G86 PolarHBondContact O-N 2.88Å; A82-V138 HydrophobicContact CB-CB 4.43Å; A82-V138 HydrophobicContact CB-CG1 4.01Å; A82-K139 HydrophobicContact CB-CB 4.26Å; A82-T152 HydrophobicContact CB-CG2 3.62Å; A82-T152 PolarHBondContact N-OG1 3.36Å; A82-T152 VanDerWaalsContact N-OG1 3.14Å
83V84.2Confident84.6Confident7 Ų744.3 Ų44.34%0.04227%0.265CS..Hα-helixtrans-70.1-44.9178.4-1760000111.1H33 Y37 S80 G81 W85 G86 A87 K139H33-V83 HydrophobicContact CB-CB 4.49Å; H33-V83 HydrophobicContact CB-CG1 3.58Å; H33-V83 VanDerWaalsContact CD2-CG1 3.46Å; H33-V83 WeakPolarHBondContact CD2-CG1 3.38Å; Y37-V83 HydrophobicContact CE2-CG2 4.32Å; S80-V83 PolarHBondContact O-N 3.5Å; G81-V83 VanDerWaalsContact C-N 3.31Å; G81-V83 PolarHBondContact O-N 3.39Å; V83-W85 PolarHBondContact O-N 3.36Å; V83-G86 PolarHBondContact O-N 3.05Å; V83-A87 WeakPolarHBondContact O-CB 3.3Å; V83-A87 PolarHBondContact O-N 3.28Å; V83-K139 HydrophobicContact CG2-CB 4.45Å; V83-K139 HydrophobicContact CG2-CD 3.55Å; V83-K139 HydrophobicContact CG2-CG 3.98Å
84I86.1Confident84.9Confident67 Ų6743.1 Ų43.134%0.34425%0.251SS..Hα-helixtrans-59.6-48.7178.8-62.5167.1000110.4I30 I34 S80 G81 G86 G88I30-I84 HydrophobicContact CG2-CG1 3.93Å; I34-I84 HydrophobicContact CD1-CD1 4.06Å; I34-I84 HydrophobicContact CD1-CG1 4.43Å; I34-I84 HydrophobicContact CG1-CD1 4.43Å; S80-I84 WeakPolarHBondContact O-CG1 3.45Å; S80-I84 PolarHBondContact O-N 3.2Å; S80-I84 VanDerWaalsContact O-N 3.09Å; G81-I84 PolarHBondContact O-N 3.41Å; I84-G86 VanDerWaalsContact C-N 3.34Å; I84-G86 PolarHBondContact O-N 3.43Å; I84-G88 PolarHBondContact O-N 3.41Å
85W86.5Confident85.2Confident170 Ų17040.6 Ų40.664%0.64423%0.226SC*.Hα-helixtrans-69.8-28.3179.9-76.9118.7000113.5G81 V83 P89 F153G81-W85 WeakPolarHBondContact O-CB 3.38Å; G81-W85 PolarHBondContact O-N 3.47Å; V83-W85 PolarHBondContact O-N 3.36Å; W85-P89 WeakPolarHBondContact O-CD 3.49Å; W85-P89 WeakPolarHBondContact O-CG 3.29Å; W85-F153 AromaticContact NE1-CZ 3.78Å
86G86.4Confident85.7Confident8 Ų842.3 Ų42.38%0.08224%0.244CC..Hα-helixtrans-79.5-42.3175.800000113.5A82 V83 I84 A90A82-G86 PolarHBondContact O-N 2.88Å; V83-G86 PolarHBondContact O-N 3.05Å; I84-G86 VanDerWaalsContact C-N 3.34Å; I84-G86 PolarHBondContact O-N 3.43Å; G86-A90 VanDerWaalsContact O-CB 3.24Å; G86-A90 WeakPolarHBondContact O-CB 3.37Å; G86-A90 PolarHBondContact O-N 2.84Å; G86-A90 VanDerWaalsContact O-N 3.17Å
87A85.7Confident86.2Confident1 Ų143.4 Ų43.41%0.00825%0.251CS..Hα-helixtrans-66.6-46-172.900000112.3I30 V83 A90 H91 M132I30-A87 HydrophobicContact CG1-CB 4.21Å; V83-A87 WeakPolarHBondContact O-CB 3.3Å; V83-A87 PolarHBondContact O-N 3.28Å; A87-A90 PolarHBondContact O-N 3.32Å; A87-H91 PolarHBondContact O-N 3.15Å; A87-H91 PolarHBondContact O-ND1 3.35Å; A87-M132 HydrophobicContact CB-CE 4.2Å
88G85.4Confident86.5Confident34 Ų3443.6 Ų43.635%0.35125%0.249SC..Hα-helixtrans-53.7-59.4-178.700000113I84 A90 H91 A92I84-G88 PolarHBondContact O-N 3.41Å; G88-A90 PolarHBondContact O-N 3.33Å; G88-H91 PolarHBondContact O-N 3.45Å; G88-A92 WeakPolarHBondContact O-CB 3.01Å; G88-A92 PolarHBondContact O-N 3.07Å
89P88.2Confident87Confident68 Ų6841 Ų4144%0.44224%0.238SC..Hα-helixtrans-61.2-38177.2-25.335.8000113.8W85 A92 A93 I131W85-P89 WeakPolarHBondContact O-CD 3.49Å; W85-P89 WeakPolarHBondContact O-CG 3.29Å; P89-A92 PolarHBondContact O-N 3.4Å; P89-A93 VanDerWaalsContact O-CB 3.23Å; P89-A93 WeakPolarHBondContact O-CB 3.36Å; P89-A93 PolarHBondContact O-N 3.1Å; P89-I131 HydrophobicContact CB-CG2 4Å
90A90Very high87.7Confident0 Ų046.9 Ų46.90%026%0.262CS..Hα-helixtrans-63.9-45.6179.900000111.8G86 A87 G88 A93 Y94 I131 M132G86-A90 VanDerWaalsContact O-CB 3.24Å; G86-A90 WeakPolarHBondContact O-CB 3.37Å; G86-A90 PolarHBondContact O-N 2.84Å; G86-A90 VanDerWaalsContact O-N 3.17Å; A87-A90 PolarHBondContact O-N 3.32Å; G88-A90 PolarHBondContact O-N 3.33Å; A90-A93 PolarHBondContact O-N 3.29Å; A90-Y94 WeakPolarHBondContact O-CB 2.97Å; A90-Y94 PolarHBondContact O-N 2.95Å; A90-I131 HydrophobicContact CB-CB 4.16Å; A90-I131 HydrophobicContact CB-CG2 3.92Å; A90-M132 HydrophobicContact CB-CB 4.3Å; A90-M132 HydrophobicContact CB-CE 3.86Å
91H85.6Confident88.1Confident46 Ų4648 Ų4821%0.21326%0.264CS..Hα-helixtrans-67.1-45.2176.4-70.484.3000111A87 G88 A93 Y94 F95A87-H91 PolarHBondContact O-N 3.15Å; A87-H91 PolarHBondContact O-ND1 3.35Å; G88-H91 PolarHBondContact O-N 3.45Å; H91-A93 VanDerWaalsContact C-N 3.28Å; H91-A93 PolarHBondContact O-N 2.86Å; H91-Y94 WeakPolarHBondContact O-CB 3.36Å; H91-Y94 PolarHBondContact O-N 3.31Å; H91-Y94 VanDerWaalsContact O-N 3.16Å; H91-F95 HydrophobicContact CB-CD2 4.36Å; H91-F95 HydrophobicContact CB-CE2 4.07Å; H91-F95 WeakPolarHBondContact O-CD2 3.47Å; H91-F95 PolarHBondContact O-N 3.24Å
92A87.9Confident88.3Confident64 Ų6451.2 Ų51.253%0.52927%0.273SS..Hα-helixtrans-57.1-43.4177.100000112G88 P89 G96G88-A92 WeakPolarHBondContact O-CB 3.01Å; G88-A92 PolarHBondContact O-N 3.07Å; P89-A92 PolarHBondContact O-N 3.4Å; A92-G96 PolarHBondContact O-N 3.47Å
93A90.1Very high88.5Confident22 Ų2254 Ų5418%0.18229%0.293CS..Hα-helixtrans-68.4-39.7176.600000112.7P89 A90 H91 C97 L127 I131P89-A93 VanDerWaalsContact O-CB 3.23Å; P89-A93 WeakPolarHBondContact O-CB 3.36Å; P89-A93 PolarHBondContact O-N 3.1Å; A90-A93 PolarHBondContact O-N 3.29Å; H91-A93 VanDerWaalsContact C-N 3.28Å; H91-A93 PolarHBondContact O-N 2.86Å; A93-C97 WeakPolarHBondContact O-CB 3.43Å; A93-C97 PolarHBondContact O-N 3.23Å; A93-L127 HydrophobicContact CB-CD2 3.92Å; A93-L127 HydrophobicContact CB-CG 4.12Å; A93-I131 HydrophobicContact CB-CD1 3.21Å
94Y89.9Confident88.9Confident67 Ų6756.5 Ų56.526%0.26331%0.308SS..Hα-helixtrans-54.7-55.8173.5178-92.4000110.7A90 H91 C97 Y98 A124 H128A90-Y94 WeakPolarHBondContact O-CB 2.97Å; A90-Y94 PolarHBondContact O-N 2.95Å; H91-Y94 WeakPolarHBondContact O-CB 3.36Å; H91-Y94 PolarHBondContact O-N 3.31Å; H91-Y94 VanDerWaalsContact O-N 3.16Å; Y94-C97 PolarHBondContact O-N 3.46Å; Y94-Y98 VanDerWaalsContact O-CB 3.29Å; Y94-Y98 WeakPolarHBondContact O-CB 3.49Å; Y94-Y98 PolarHBondContact O-N 3.35Å; Y94-A124 VanDerWaalsContact CD2-C 3.5Å; Y94-A124 HydrophobicContact CD2-CB 3.57Å; Y94-A124 WeakPolarHBondContact CD2-O 3.38Å; Y94-A124 HydrophobicContact CE2-CB 3.59Å; Y94-A124 HydrophobicContact CG-CB 4.18Å; Y94-A124 WeakPolarHBondContact O-CB 3.13Å; Y94-H128 HydrophobicContact CD2-CB 4.03Å
95F87Confident89.2Confident52 Ų5253.9 Ų53.923%0.22830%0.295CS..Hα-helixtrans-66.2-43.8-177.2-66.1-65.1000112.1M22 H91 C97 Y98 E99M22-F95 HydrophobicContact CB-CD2 4.24Å; M22-F95 HydrophobicContact CB-CE2 3.93Å; M22-F95 HydrophobicContact CB-CZ 4.11Å; M22-F95 HydrophobicContact CE-CB 3.31Å; M22-F95 HydrophobicContact CE-CD1 4.01Å; M22-F95 HydrophobicContact CE-CD2 3.39Å; M22-F95 HydrophobicContact CE-CE2 4.16Å; M22-F95 HydrophobicContact CE-CG 3.3Å; M22-F95 HydrophobicContact CG-CD1 3.78Å; M22-F95 HydrophobicContact CG-CD2 3.98Å; M22-F95 HydrophobicContact CG-CE1 3.65Å; M22-F95 HydrophobicContact CG-CE2 3.85Å; M22-F95 HydrophobicContact CG-CG 3.96Å; M22-F95 HydrophobicContact CG-CZ 3.69Å; M22-F95 HydrophobicContact SD-CB 4.01Å; M22-F95 HydrophobicContact SD-CD1 3.81Å; M22-F95 HydrophobicContact SD-CD2 4.17Å; M22-F95 HydrophobicContact SD-CE1 4.31Å; M22-F95 HydrophobicContact SD-CG 3.75Å; H91-F95 HydrophobicContact CB-CD2 4.36Å; H91-F95 HydrophobicContact CB-CE2 4.07Å; H91-F95 WeakPolarHBondContact O-CD2 3.47Å; H91-F95 PolarHBondContact O-N 3.24Å; F95-C97 VanDerWaalsContact C-N 3.33Å; F95-C97 PolarHBondContact O-N 3.17Å; F95-Y98 PolarHBondContact O-N 2.84Å; F95-E99 PolarHBondContact O-N 2.67Å
96G89.8Confident89.3Confident45 Ų4549.4 Ų49.446%0.46429%0.294SS..Hα-helixtrans-60.8-42176.700000112.6A92 K100A92-G96 PolarHBondContact O-N 3.47Å; G96-K100 VanDerWaalsContact O-CB 3.23Å; G96-K100 WeakPolarHBondContact O-CB 3.3Å; G96-K100 PolarHBondContact O-N 3.23Å; G96-K100 VanDerWaalsContact O-N 3.1Å
97C91.7Very high89.6Confident25 Ų2556.1 Ų56.117%0.16933%0.326CS..Hα-helixtrans-67.8-44.6176.1-176.10000111.5A93 Y94 F95 K100 M101 A124 L127A93-C97 WeakPolarHBondContact O-CB 3.43Å; A93-C97 PolarHBondContact O-N 3.23Å; Y94-C97 PolarHBondContact O-N 3.46Å; F95-C97 VanDerWaalsContact C-N 3.33Å; F95-C97 PolarHBondContact O-N 3.17Å; C97-K100 PolarHBondContact O-N 3.38Å; C97-M101 WeakPolarHBondContact O-CB 3.41Å; C97-M101 VanDerWaalsContact O-CG 3.23Å; C97-M101 WeakPolarHBondContact O-CG 3.3Å; C97-M101 PolarHBondContact O-N 3.49Å; C97-A124 HydrophobicContact CB-CB 4.31Å; C97-L127 HydrophobicContact CB-CD2 3.67Å
98Y89.8Confident89.8Confident59 Ų5958.8 Ų58.823%0.23135%0.349CS..Hα-helixtrans-59.7-51179.8-177-102000111.8Y94 F95 K100 M101 K102 A120Y94-Y98 VanDerWaalsContact O-CB 3.29Å; Y94-Y98 WeakPolarHBondContact O-CB 3.49Å; Y94-Y98 PolarHBondContact O-N 3.35Å; F95-Y98 PolarHBondContact O-N 2.84Å; Y98-K100 VanDerWaalsContact C-N 3.34Å; Y98-K100 PolarHBondContact O-N 2.78Å; Y98-M101 PolarHBondContact O-N 3.2Å; Y98-K102 HydrophobicContact CE1-CD 4.16Å; Y98-K102 WeakPolarHBondContact O-CB 3.48Å; Y98-K102 PolarHBondContact O-N 2.91Å; Y98-A120 HydrophobicContact CD2-CB 4.09Å; Y98-A120 HydrophobicContact CE2-CB 4.12Å
99E89.7Confident90Very high64 Ų6461.3 Ų61.330%0.29936%0.359SS..Hα-helixtrans-64.7-38.9179.2-71.1-55.8130.800112L18 F95 S103L18-E99 HydrophobicContact CD2-CG 4.46Å; F95-E99 PolarHBondContact O-N 2.67Å; E99-S103 VanDerWaalsContact O-CB 3.29Å; E99-S103 WeakPolarHBondContact O-CB 3.29Å; E99-S103 PolarHBondContact O-N 2.97Å; E99-S103 PolarHBondContact O-OG 2.69Å
100K92.3Very high90Very high131 Ų13164.2 Ų64.257%0.5737%0.369SS*.Hα-helixtrans-63.8-47.5175.9-17859.6176.6-178.70111.7G96 C97 Y98 S103 T104G96-K100 VanDerWaalsContact O-CB 3.23Å; G96-K100 WeakPolarHBondContact O-CB 3.3Å; G96-K100 PolarHBondContact O-N 3.23Å; G96-K100 VanDerWaalsContact O-N 3.1Å; C97-K100 PolarHBondContact O-N 3.38Å; Y98-K100 VanDerWaalsContact C-N 3.34Å; Y98-K100 PolarHBondContact O-N 2.78Å; K100-S103 PolarHBondContact O-N 3.32Å; K100-T104 WeakPolarHBondContact O-CB 3.08Å; K100-T104 PolarHBondContact O-N 3.3Å; K100-T104 PolarHBondContact O-OG1 2.81Å
101M92Very high89.9Confident55 Ų5565.8 Ų65.827%0.27139%0.386SS..Hα-helixtrans-67.5-42.2179.9-69.5-62.295.400111.7C97 Y98 S103 T104 L105 A120 C123C97-M101 WeakPolarHBondContact O-CB 3.41Å; C97-M101 VanDerWaalsContact O-CG 3.23Å; C97-M101 WeakPolarHBondContact O-CG 3.3Å; C97-M101 PolarHBondContact O-N 3.49Å; Y98-M101 PolarHBondContact O-N 3.2Å; M101-S103 VanDerWaalsContact C-N 3.34Å; M101-S103 PolarHBondContact O-N 3.11Å; M101-T104 PolarHBondContact O-N 2.95Å; M101-L105 VanDerWaalsContact O-CB 3.28Å; M101-L105 WeakPolarHBondContact O-CB 3.35Å; M101-L105 VanDerWaalsContact O-CG 3.24Å; M101-L105 WeakPolarHBondContact O-CG 3.41Å; M101-L105 PolarHBondContact O-N 3.48Å; M101-A120 HydrophobicContact CB-CB 3.67Å; M101-C123 HydrophobicContact CG-CB 4.21Å
102K89.8Confident90.1Very high87 Ų8766.4 Ų66.438%0.37840%0.395SS..Hα-helixtrans-58.4-46173.8-178.3-177.9170.5-167.90111.4Y98 A106Y98-K102 HydrophobicContact CE1-CD 4.16Å; Y98-K102 WeakPolarHBondContact O-CB 3.48Å; Y98-K102 PolarHBondContact O-N 2.91Å; K102-A106 VanDerWaalsContact O-CB 3.32Å; K102-A106 WeakPolarHBondContact O-CB 3.25Å; K102-A106 PolarHBondContact O-N 3.01Å
103S90.3Very high90.2Very high63 Ų6367.8 Ų67.844%0.44140%0.397SS..Hα-helixtrans-65.2-44.5178.1-59.70000112.1E99 K100 M101 A106 I107E99-S103 VanDerWaalsContact O-CB 3.29Å; E99-S103 WeakPolarHBondContact O-CB 3.29Å; E99-S103 PolarHBondContact O-N 2.97Å; E99-S103 PolarHBondContact O-OG 2.69Å; K100-S103 PolarHBondContact O-N 3.32Å; M101-S103 VanDerWaalsContact C-N 3.34Å; M101-S103 PolarHBondContact O-N 3.11Å; S103-A106 PolarHBondContact O-N 2.62Å; S103-I107 WeakPolarHBondContact O-CG1 3.13Å; S103-I107 PolarHBondContact O-N 2.98Å
104T93Very high90.2Very high59 Ų5973.4 Ų73.436%0.36242%0.419SS..Hα-helixtrans-65.1-42178-670000111.9K100 M101 A106 I107 A108K100-T104 WeakPolarHBondContact O-CB 3.08Å; K100-T104 PolarHBondContact O-N 3.3Å; K100-T104 PolarHBondContact O-OG1 2.81Å; M101-T104 PolarHBondContact O-N 2.95Å; T104-A106 VanDerWaalsContact C-N 3.32Å; T104-I107 PolarHBondContact O-N 3.15Å; T104-A108 PolarHBondContact O-N 3.24Å
105L91.8Very high90.3Very high12 Ų1274.1 Ų74.16%0.06343%0.427CS..Hα-helixtrans-76.6-18179.1-66.9168000113.3M101 A108 P109 I110 N116 I119 A120M101-L105 VanDerWaalsContact O-CB 3.28Å; M101-L105 WeakPolarHBondContact O-CB 3.35Å; M101-L105 VanDerWaalsContact O-CG 3.24Å; M101-L105 WeakPolarHBondContact O-CG 3.41Å; M101-L105 PolarHBondContact O-N 3.48Å; L105-A108 CarbonylContact O-C 3.47Å; L105-P109 VanDerWaalsContact O-CA 3.22Å; L105-P109 WeakPolarHBondContact O-CA 3.45Å; L105-P109 WeakPolarHBondContact O-CG 3.3Å; L105-I110 HydrophobicContact CD2-CB 4.44Å; L105-I110 HydrophobicContact CD2-CD1 3.53Å; L105-I110 HydrophobicContact CD2-CG1 3.71Å; L105-N116 HydrophobicContact CB-CB 3.97Å; L105-N116 HydrophobicContact CD1-CB 4.22Å; L105-N116 VanDerWaalsContact CD1-O 3.27Å; L105-N116 WeakPolarHBondContact CD1-O 3.44Å; L105-I119 HydrophobicContact CD1-CB 4.11Å; L105-I119 HydrophobicContact CD1-CG2 4.05Å; L105-A120 HydrophobicContact CD1-CB 4.36Å
106A90Very high90.5Very high76 Ų7672.3 Ų72.363%0.62842%0.42SS*.Hα-helixtrans-71.5-36.516800000111.6K102 S103 T104K102-A106 VanDerWaalsContact O-CB 3.32Å; K102-A106 WeakPolarHBondContact O-CB 3.25Å; K102-A106 PolarHBondContact O-N 3.01Å; S103-A106 PolarHBondContact O-N 2.62Å; T104-A106 VanDerWaalsContact C-N 3.32Å
107I92Very high90.5Very high148 Ų14874.1 Ų74.176%0.75942%0.416SS*.Hα-helixtrans-78.4-41.5177.3-61.7164.7000111S103 T104S103-I107 WeakPolarHBondContact O-CG1 3.13Å; S103-I107 PolarHBondContact O-N 2.98Å; T104-I107 PolarHBondContact O-N 3.15Å
108A90.8Very high90.4Very high58 Ų5879 Ų7948%0.47944%0.438SS..SBendtrans-126.679.3-179.900000110.6T104 L105 I110T104-A108 PolarHBondContact O-N 3.24Å; L105-A108 CarbonylContact O-C 3.47Å; A108-I110 PolarHBondContact O-N 3.16Å
109P88.2Confident90.6Very high87 Ų8778.9 Ų78.957%0.56544%0.44SS*.  trans-61.1131.6177.4-23.734.8000111.7L105L105-P109 VanDerWaalsContact O-CA 3.22Å; L105-P109 WeakPolarHBondContact O-CA 3.45Å; L105-P109 WeakPolarHBondContact O-CG 3.3Å
110I87.8Confident90.7Very high128 Ų12875.8 Ų75.866%0.65643%0.426SS*.SBendtrans-90.4-33.3172.7-61.5174.3000110L105 A108 N116 I119L105-I110 HydrophobicContact CD2-CB 4.44Å; L105-I110 HydrophobicContact CD2-CD1 3.53Å; L105-I110 HydrophobicContact CD2-CG1 3.71Å; A108-I110 PolarHBondContact O-N 3.16Å; I110-N116 PolarHBondContact N-OD1 3.42Å; I110-I119 HydrophobicContact CD1-CD1 4.35Å
111G87.7Confident90.6Very high34 Ų3470.3 Ų70.335%0.35141%0.407SS..SBendtrans-151.1-152.5177.500000112.1N116G111-N116 PolarHBondContact N-OD1 3.21Å; G111-N116 VanDerWaalsContact N-OD1 3.13Å; G111-N116 PolarHBondContact O-ND2 3.49Å; G111-N116 VanDerWaalsContact O-ND2 3.15Å
112S91Very high90.7Very high59 Ų5971.5 Ų71.541%0.41342%0.417SS..  trans-59.1160174.666.40000111.6H114 I115 N116S112-H114 PolarHBondContact O-N 3.09Å; S112-I115 PolarHBondContact O-N 2.77Å; S112-I115 WeakPolarHBondContact OG-CG1 3.48Å; S112-I115 PolarHBondContact OG-N 3.33Å; S112-N116 PolarHBondContact O-N 3.31Å; S112-N116 PolarHBondContact O-ND2 3.49Å
113T90.1Very high90.9Very high93 Ų9369.6 Ų69.657%0.57141%0.414SS*.Hα-helixtrans-50.2-45.2175.650.80000111.5N116 H117T113-N116 PolarHBondContact O-N 3.08Å; T113-H117 PolarHBondContact O-CD2 2.93Å; T113-H117 PolarHBondContact O-N 2.78Å
114H90Very high91Very high140 Ų14066.6 Ų66.665%0.64839%0.393SS*.Hα-helixtrans-61.1-46.3176.9-60.1-65.4000113S112 N116 H117 M118S112-H114 PolarHBondContact O-N 3.09Å; H114-N116 VanDerWaalsContact C-N 3.32Å; H114-N116 PolarHBondContact O-N 2.97Å; H114-H117 PolarHBondContact O-N 3.36Å; H114-M118 VanDerWaalsContact O-CG 3.27Å; H114-M118 WeakPolarHBondContact O-CG 3.31Å; H114-M118 PolarHBondContact O-N 3.06Å
115I91.3Very high91Very high81 Ų8166.5 Ų66.542%0.41539%0.393SS..Hα-helixtrans-62.7-41.7178.2-68.2169.1000110.4S112 H117 M118 I119S112-I115 PolarHBondContact O-N 2.77Å; S112-I115 WeakPolarHBondContact OG-CG1 3.48Å; S112-I115 PolarHBondContact OG-N 3.33Å; I115-H117 PolarHBondContact O-N 3.16Å; I115-M118 WeakPolarHBondContact O-CB 3.29Å; I115-M118 PolarHBondContact O-N 3.38Å; I115-I119 HydrophobicContact CG2-CD1 3.91Å; I115-I119 HydrophobicContact CG2-CG1 4.43Å; I115-I119 WeakPolarHBondContact O-CG1 3.07Å; I115-I119 PolarHBondContact O-N 2.76Å
116N90.8Very high91.1Very high15 Ų1569.2 Ų69.28%0.0841%0.407CS..Hα-helixtrans-62.3-43178-66-21.1000111.5L105 I110 G111 S112 T113 H114 I119 A120L105-N116 HydrophobicContact CB-CB 3.97Å; L105-N116 HydrophobicContact CD1-CB 4.22Å; L105-N116 VanDerWaalsContact CD1-O 3.27Å; L105-N116 WeakPolarHBondContact CD1-O 3.44Å; I110-N116 PolarHBondContact N-OD1 3.42Å; G111-N116 PolarHBondContact N-OD1 3.21Å; G111-N116 VanDerWaalsContact N-OD1 3.13Å; G111-N116 PolarHBondContact O-ND2 3.49Å; G111-N116 VanDerWaalsContact O-ND2 3.15Å; S112-N116 PolarHBondContact O-N 3.31Å; S112-N116 PolarHBondContact O-ND2 3.49Å; T113-N116 PolarHBondContact O-N 3.08Å; H114-N116 VanDerWaalsContact C-N 3.32Å; H114-N116 PolarHBondContact O-N 2.97Å; N116-I119 PolarHBondContact O-N 3.17Å; N116-A120 WeakPolarHBondContact O-CB 3.45Å; N116-A120 PolarHBondContact O-N 2.99Å
117H90.2Very high91.4Very high83 Ų8369 Ų6938%0.38440%0.395SS..Hα-helixtrans-64.6-37.8174.1-71-57.1000112.7T113 H114 I115 A120 G121T113-H117 PolarHBondContact O-CD2 2.93Å; T113-H117 PolarHBondContact O-N 2.78Å; H114-H117 PolarHBondContact O-N 3.36Å; I115-H117 PolarHBondContact O-N 3.16Å; H117-A120 PolarHBondContact O-N 3.44Å; H117-G121 PolarHBondContact O-N 3.4Å
118M90.2Very high91.4Very high127 Ų12763.6 Ų63.663%0.62637%0.366SS*.Hα-helixtrans-63.7-42.3174.9-71.2173.169.200112.1H114 I115 G121 T122H114-M118 VanDerWaalsContact O-CG 3.27Å; H114-M118 WeakPolarHBondContact O-CG 3.31Å; H114-M118 PolarHBondContact O-N 3.06Å; I115-M118 WeakPolarHBondContact O-CB 3.29Å; I115-M118 PolarHBondContact O-N 3.38Å; M118-G121 PolarHBondContact O-N 3.46Å; M118-T122 VanDerWaalsContact O-CB 3.31Å; M118-T122 WeakPolarHBondContact O-CB 3.31Å; M118-T122 PolarHBondContact O-N 2.82Å; M118-T122 PolarHBondContact O-OG1 2.75Å
119I93.1Very high91.6Very high56 Ų5661.1 Ų61.129%0.28735%0.345SS..Hα-helixtrans-64-47.8176.4-66.9167.2000110L105 I110 I115 N116 G121 T122 C123L105-I119 HydrophobicContact CD1-CB 4.11Å; L105-I119 HydrophobicContact CD1-CG2 4.05Å; I110-I119 HydrophobicContact CD1-CD1 4.35Å; I115-I119 HydrophobicContact CG2-CD1 3.91Å; I115-I119 HydrophobicContact CG2-CG1 4.43Å; I115-I119 WeakPolarHBondContact O-CG1 3.07Å; I115-I119 PolarHBondContact O-N 2.76Å; N116-I119 PolarHBondContact O-N 3.17Å; I119-G121 PolarHBondContact O-N 3.17Å; I119-T122 PolarHBondContact O-N 2.67Å; I119-C123 WeakPolarHBondContact O-CB 3.4Å; I119-C123 PolarHBondContact O-N 3.07Å; I119-C123 PolarHBondContact O-SG 2.98Å; I119-C123 VanDerWaalsContact O-SG 3.4Å
120A92.6Very high91.8Very high0 Ų058.1 Ų58.10%033%0.327CS..Hα-helixtrans-58.5-46.5177.600000111.9Y98 M101 L105 N116 H117 A124Y98-A120 HydrophobicContact CD2-CB 4.09Å; Y98-A120 HydrophobicContact CE2-CB 4.12Å; M101-A120 HydrophobicContact CB-CB 3.67Å; L105-A120 HydrophobicContact CD1-CB 4.36Å; N116-A120 WeakPolarHBondContact O-CB 3.45Å; N116-A120 PolarHBondContact O-N 2.99Å; H117-A120 PolarHBondContact O-N 3.44Å; A120-A124 WeakPolarHBondContact O-CB 3.31Å; A120-A124 PolarHBondContact O-N 3.45Å
121G90.8Very high92.1Very high16 Ų1654.7 Ų54.717%0.16531%0.31CS..Hα-helixtrans-61.6-45.9176.100000112.3H117 M118 I119 C123 A124 T125H117-G121 PolarHBondContact O-N 3.4Å; M118-G121 PolarHBondContact O-N 3.46Å; I119-G121 PolarHBondContact O-N 3.17Å; G121-C123 PolarHBondContact O-N 2.82Å; G121-A124 PolarHBondContact O-N 3.19Å; G121-T125 PolarHBondContact O-N 3.33Å; G121-T125 PolarHBondContact O-OG1 2.92Å; G121-T125 VanDerWaalsContact O-OG1 3.06Å
122T92.4Very high92.3Very high80 Ų8053.9 Ų53.949%0.49130%0.297SS..Hα-helixtrans-62.3-47179.6-56.90000111.5M118 I119 A124 T125 L126M118-T122 VanDerWaalsContact O-CB 3.31Å; M118-T122 WeakPolarHBondContact O-CB 3.31Å; M118-T122 PolarHBondContact O-N 2.82Å; M118-T122 PolarHBondContact O-OG1 2.75Å; I119-T122 PolarHBondContact O-N 2.67Å; T122-A124 VanDerWaalsContact C-N 3.34Å; T122-A124 PolarHBondContact O-N 2.89Å; T122-T125 PolarHBondContact O-N 2.94Å; T122-L126 HydrophobicContact CG2-CD1 4.14Å; T122-L126 HydrophobicContact CG2-CG 4.43Å; T122-L126 WeakPolarHBondContact O-CB 3.4Å; T122-L126 VanDerWaalsContact O-CG 3.26Å; T122-L126 WeakPolarHBondContact O-CG 3.42Å; T122-L126 PolarHBondContact O-N 3.19Å
123C94.5Very high92.4Very high47 Ų4751.3 Ų51.332%0.31828%0.279SS..Hα-helixtrans-60.5-43.2176.4-72.20000111.9M101 I119 G121 L126 L127M101-C123 HydrophobicContact CG-CB 4.21Å; I119-C123 WeakPolarHBondContact O-CB 3.4Å; I119-C123 PolarHBondContact O-N 3.07Å; I119-C123 PolarHBondContact O-SG 2.98Å; I119-C123 VanDerWaalsContact O-SG 3.4Å; G121-C123 PolarHBondContact O-N 2.82Å; C123-L126 PolarHBondContact O-N 2.95Å; C123-L127 WeakPolarHBondContact O-CB 3.49Å; C123-L127 PolarHBondContact O-N 3.31Å
124A93.2Very high92.6Very high0 Ų048 Ų480%026%0.259CS..Hα-helixtrans-63.3-44.4177.400000111.8Y94 C97 A120 G121 T122 L127 H128Y94-A124 VanDerWaalsContact CD2-C 3.5Å; Y94-A124 HydrophobicContact CD2-CB 3.57Å; Y94-A124 WeakPolarHBondContact CD2-O 3.38Å; Y94-A124 HydrophobicContact CE2-CB 3.59Å; Y94-A124 HydrophobicContact CG-CB 4.18Å; Y94-A124 WeakPolarHBondContact O-CB 3.13Å; C97-A124 HydrophobicContact CB-CB 4.31Å; A120-A124 WeakPolarHBondContact O-CB 3.31Å; A120-A124 PolarHBondContact O-N 3.45Å; G121-A124 PolarHBondContact O-N 3.19Å; T122-A124 VanDerWaalsContact C-N 3.34Å; T122-A124 PolarHBondContact O-N 2.89Å; A124-L127 PolarHBondContact O-N 3.46Å; A124-H128 VanDerWaalsContact O-CB 3.32Å; A124-H128 WeakPolarHBondContact O-CB 3.44Å; A124-H128 PolarHBondContact O-N 2.89Å
125T92.2Very high92.8Very high57 Ų5742 Ų4235%0.3523%0.233SC..Hα-helixtrans-63.9-42.3176.3-59.50000112.1G121 T122 L127 H128 D129G121-T125 PolarHBondContact O-N 3.33Å; G121-T125 PolarHBondContact O-OG1 2.92Å; G121-T125 VanDerWaalsContact O-OG1 3.06Å; T122-T125 PolarHBondContact O-N 2.94Å; T125-L127 VanDerWaalsContact C-N 3.32Å; T125-L127 PolarHBondContact O-N 3.46Å; T125-H128 WeakPolarHBondContact O-CB 3.24Å; T125-H128 PolarHBondContact O-N 3.47Å; T125-D129 WeakPolarHBondContact O-CB 3.32Å; T125-D129 PolarHBondContact O-N 3.43Å
126L95.3Very high92.8Very high69 Ų6939.3 Ų39.336%0.36122%0.22SC..Hα-helixtrans-60.8-42.6176.8-72.8173.1000111.7T122 C123 A130 Y172 L176T122-L126 HydrophobicContact CG2-CD1 4.14Å; T122-L126 HydrophobicContact CG2-CG 4.43Å; T122-L126 WeakPolarHBondContact O-CB 3.4Å; T122-L126 VanDerWaalsContact O-CG 3.26Å; T122-L126 WeakPolarHBondContact O-CG 3.42Å; T122-L126 PolarHBondContact O-N 3.19Å; C123-L126 PolarHBondContact O-N 2.95Å; L126-A130 WeakPolarHBondContact O-CB 3.41Å; L126-A130 PolarHBondContact O-N 3.31Å; L126-Y172 PolarHBondContact O-OH 3.31Å; L126-L176 HydrophobicContact CD2-CD1 3.62Å; L126-L176 HydrophobicContact CD2-CD2 3.74Å; L126-L176 HydrophobicContact CD2-CG 4.34Å
127L94.7Very high92.9Very high71 Ų7138.6 Ų38.637%0.37222%0.216SC..Hα-helixtrans-69.1-44.1177.6-177.363.5000111.9A93 C97 C123 A124 T125 D129 A130 I131A93-L127 HydrophobicContact CB-CD2 3.92Å; A93-L127 HydrophobicContact CB-CG 4.12Å; C97-L127 HydrophobicContact CB-CD2 3.67Å; C123-L127 WeakPolarHBondContact O-CB 3.49Å; C123-L127 PolarHBondContact O-N 3.31Å; A124-L127 PolarHBondContact O-N 3.46Å; T125-L127 VanDerWaalsContact C-N 3.32Å; T125-L127 PolarHBondContact O-N 3.46Å; L127-D129 VanDerWaalsContact C-N 3.35Å; L127-D129 PolarHBondContact O-N 3.39Å; L127-A130 PolarHBondContact O-N 3.36Å; L127-I131 HydrophobicContact CD1-CD1 4.31Å; L127-I131 HydrophobicContact CG-CD1 4.27Å; L127-I131 PolarHBondContact O-N 2.79Å; L127-I131 VanDerWaalsContact O-N 3.14Å
128H93.3Very high93.1Very high34 Ų3434.9 Ų34.916%0.15720%0.199CC..Hα-helixtrans-52.9-53.8173.4171.5-85.7000110.8Y94 A124 T125 A130 I131 M132Y94-H128 HydrophobicContact CD2-CB 4.03Å; A124-H128 VanDerWaalsContact O-CB 3.32Å; A124-H128 WeakPolarHBondContact O-CB 3.44Å; A124-H128 PolarHBondContact O-N 2.89Å; T125-H128 WeakPolarHBondContact O-CB 3.24Å; T125-H128 PolarHBondContact O-N 3.47Å; H128-A130 VanDerWaalsContact C-N 3.26Å; H128-A130 PolarHBondContact O-N 3.07Å; H128-I131 PolarHBondContact O-N 3.21Å; H128-I131 VanDerWaalsContact O-N 3.11Å; H128-M132 WeakPolarHBondContact O-CB 3.35Å; H128-M132 PolarHBondContact O-N 3.25Å
129D93.3Very high93.2Very high7 Ų729.5 Ų29.54%0.03717%0.173CC..Hα-helixtrans-66.5-31-177.5-73.7-4.2000111.4T125 L127 I131 M132 T133 Y172 L176 N179T125-D129 WeakPolarHBondContact O-CB 3.32Å; T125-D129 PolarHBondContact O-N 3.43Å; L127-D129 VanDerWaalsContact C-N 3.35Å; L127-D129 PolarHBondContact O-N 3.39Å; D129-I131 VanDerWaalsContact C-N 3.29Å; D129-I131 PolarHBondContact O-N 2.96Å; D129-M132 PolarHBondContact O-N 3.23Å; D129-T133 WeakPolarHBondContact O-CB 3.48Å; D129-T133 PolarHBondContact O-N 2.94Å; D129-T133 PolarHBondContact O-OG1 3.47Å; D129-Y172 HydrophobicContact CB-CE2 3.9Å; D129-L176 HydrophobicContact CB-CD2 4.01Å; D129-L176 WeakPolarHBondContact OD2-CD2 3.37Å; D129-N179 PolarHBondContact OD2-ND2 2.93Å
130A94.1Very high93.2Very high23 Ų2327.4 Ų27.419%0.1916%0.161CC..Hα-helixtrans-66.7-30.9175.700000112.5L126 L127 H128 P134 Y169 Y172L126-A130 WeakPolarHBondContact O-CB 3.41Å; L126-A130 PolarHBondContact O-N 3.31Å; L127-A130 PolarHBondContact O-N 3.36Å; H128-A130 VanDerWaalsContact C-N 3.26Å; H128-A130 PolarHBondContact O-N 3.07Å; A130-P134 WeakPolarHBondContact O-CD 3.27Å; A130-Y169 WeakPolarHBondContact O-CE1 3.33Å; A130-Y169 PolarHBondContact O-OH 3.23Å; A130-Y172 HydrophobicContact CB-CE2 3.98Å
131I93.3Very high93.2Very high56 Ų5627.4 Ų27.429%0.28716%0.161SC..Hα-helixtrans-85.4-37.8176.4-65.9165.9000111.1P89 A90 A93 L127 H128 D129 P134P89-I131 HydrophobicContact CB-CG2 4Å; A90-I131 HydrophobicContact CB-CB 4.16Å; A90-I131 HydrophobicContact CB-CG2 3.92Å; A93-I131 HydrophobicContact CB-CD1 3.21Å; L127-I131 HydrophobicContact CD1-CD1 4.31Å; L127-I131 HydrophobicContact CG-CD1 4.27Å; L127-I131 PolarHBondContact O-N 2.79Å; L127-I131 VanDerWaalsContact O-N 3.14Å; H128-I131 PolarHBondContact O-N 3.21Å; H128-I131 VanDerWaalsContact O-N 3.11Å; D129-I131 VanDerWaalsContact C-N 3.29Å; D129-I131 PolarHBondContact O-N 2.96Å; I131-P134 WeakPolarHBondContact O-CD 3.34Å
132M92.3Very high93.2Very high18 Ų1827.2 Ų27.29%0.08916%0.156CC..Hα-helixtrans-71.2-32.2179.9-169.265.679.600112.5A87 A90 H128 D129 A135 D136A87-M132 HydrophobicContact CB-CE 4.2Å; A90-M132 HydrophobicContact CB-CB 4.3Å; A90-M132 HydrophobicContact CB-CE 3.86Å; H128-M132 WeakPolarHBondContact O-CB 3.35Å; H128-M132 PolarHBondContact O-N 3.25Å; D129-M132 PolarHBondContact O-N 3.23Å; M132-A135 WeakPolarHBondContact O-CA 3.42Å; M132-A135 WeakPolarHBondContact O-CB 3.32Å; M132-A135 PolarHBondContact O-N 3.46Å; M132-D136 PolarHBondContact O-N 3.36Å
133T93.6Very high93.2Very high4 Ų423.5 Ų23.53%0.02513%0.133CC..Hα-helixtrans-57.7-46.6-173.2-70.80000114.1D129 A135 D136 A137 L168 Y169 Y172D129-T133 WeakPolarHBondContact O-CB 3.48Å; D129-T133 PolarHBondContact O-N 2.94Å; D129-T133 PolarHBondContact O-OG1 3.47Å; T133-A135 VanDerWaalsContact C-N 3.32Å; T133-A135 PolarHBondContact O-N 2.66Å; T133-D136 WeakPolarHBondContact O-CB 3.37Å; T133-D136 PolarHBondContact O-N 3.28Å; T133-A137 PolarHBondContact O-N 2.89Å; T133-L168 VanDerWaalsContact CG2-O 3.23Å; T133-L168 WeakPolarHBondContact CG2-O 3.48Å; T133-Y169 HydrophobicContact CG2-CD1 4.3Å; T133-Y172 WeakPolarHBondContact OG1-CD2 3.33Å
134P93.7Very high92.9Very high24 Ų2422.2 Ų22.216%0.15612%0.124CC..Hα-helixtrans-59.5-38.6172.7-27.435.4000114.4A130 I131 A137 V138 L168 Y169A130-P134 WeakPolarHBondContact O-CD 3.27Å; I131-P134 WeakPolarHBondContact O-CD 3.34Å; P134-A137 PolarHBondContact O-N 2.89Å; P134-V138 WeakPolarHBondContact O-CG2 3.32Å; P134-V138 PolarHBondContact O-N 2.91Å; P134-V138 VanDerWaalsContact O-N 3.07Å; P134-L168 HydrophobicContact CB-CB 4.08Å; P134-L168 HydrophobicContact CB-CD1 4.21Å; P134-L168 HydrophobicContact CG-CB 4.34Å; P134-Y169 HydrophobicContact CG-CD2 4.48Å; P134-Y169 HydrophobicContact CG-CE1 4.08Å; P134-Y169 HydrophobicContact CG-CE2 3.72Å; P134-Y169 VanDerWaalsContact CG-CZ 3.47Å; P134-Y169 WeakPolarHBondContact CG-OH 3.36Å
135A93.3Very high92.4Very high13 Ų1324.8 Ų24.811%0.10713%0.133CC..Hα-helixtrans-66.2-42.1177.900000111.2M132 T133 V138 K139M132-A135 WeakPolarHBondContact O-CA 3.42Å; M132-A135 WeakPolarHBondContact O-CB 3.32Å; M132-A135 PolarHBondContact O-N 3.46Å; T133-A135 VanDerWaalsContact C-N 3.32Å; T133-A135 PolarHBondContact O-N 2.66Å; A135-V138 PolarHBondContact O-N 3.31Å; A135-K139 VanDerWaalsContact O-CB 3.28Å; A135-K139 WeakPolarHBondContact O-CB 3.31Å; A135-K139 PolarHBondContact O-N 2.86Å
136D92.6Very high91.8Very high25 Ų2527.6 Ų27.613%0.13415%0.147CC..Hα-helixtrans-60.9-43173.2-90.6-2.8000112.2M132 T133 V138 K139 Q140 K230M132-D136 PolarHBondContact O-N 3.36Å; T133-D136 WeakPolarHBondContact O-CB 3.37Å; T133-D136 PolarHBondContact O-N 3.28Å; D136-V138 PolarHBondContact O-N 3Å; D136-K139 PolarHBondContact O-N 3.41Å; D136-Q140 WeakPolarHBondContact O-CB 3.27Å; D136-Q140 WeakPolarHBondContact O-CG 3.29Å; D136-Q140 PolarHBondContact O-N 3.48Å; D136-K230 IonicContact OD2-NZ 3.86Å; D136-K230 PolarHBondContact OD2-NZ 3.49Å
137A93.2Very high91.3Very high1 Ų125.7 Ų25.71%0.00814%0.139CC..Hα-helixtrans-61.7-44.2177.700000111.6T133 P134 R141 L168 N234T133-A137 PolarHBondContact O-N 2.89Å; P134-A137 PolarHBondContact O-N 2.89Å; A137-R141 WeakPolarHBondContact O-CG 3.05Å; A137-R141 PolarHBondContact O-N 3.02Å; A137-R141 VanDerWaalsContact O-N 3.16Å; A137-L168 HydrophobicContact CB-CD2 3.91Å; A137-N234 HydrophobicContact CB-CB 4.44Å
138V93.7Very high90.8Very high4 Ų424.4 Ų24.42%0.02414%0.135CC..Hα-helixtrans-67.1-44.3176.4172.30000111.5A82 P134 A135 D136 Q140 R141 L142 T152 C155 L156 L168A82-V138 HydrophobicContact CB-CB 4.43Å; A82-V138 HydrophobicContact CB-CG1 4.01Å; P134-V138 WeakPolarHBondContact O-CG2 3.32Å; P134-V138 PolarHBondContact O-N 2.91Å; P134-V138 VanDerWaalsContact O-N 3.07Å; A135-V138 PolarHBondContact O-N 3.31Å; D136-V138 PolarHBondContact O-N 3Å; V138-Q140 PolarHBondContact O-N 2.89Å; V138-R141 PolarHBondContact O-N 3.39Å; V138-L142 HydrophobicContact CG1-CD1 3.85Å; V138-L142 PolarHBondContact O-N 3.33Å; V138-T152 HydrophobicContact CG1-CG2 3.91Å; V138-C155 HydrophobicContact CG1-CB 3.94Å; V138-L156 HydrophobicContact CG2-CB 4.24Å; V138-L156 HydrophobicContact CG2-CD1 4.1Å; V138-L168 HydrophobicContact CG2-CD2 4.15Å
139K92.8Very high90.6Very high15 Ų1523.2 Ų23.27%0.06513%0.129CC..Hα-helixtrans-53.6-54.1175.1177-165.3-176.6171.20110.6Y37 D40 A82 V83 A135 D136 R141 L142 Q143Y37-K139 HydrophobicContact CE2-CG 4.01Å; D40-K139 IonicContact OD2-NZ 3.14Å; D40-K139 PolarHBondContact OD2-NZ 2.66Å; A82-K139 HydrophobicContact CB-CB 4.26Å; V83-K139 HydrophobicContact CG2-CB 4.45Å; V83-K139 HydrophobicContact CG2-CD 3.55Å; V83-K139 HydrophobicContact CG2-CG 3.98Å; A135-K139 VanDerWaalsContact O-CB 3.28Å; A135-K139 WeakPolarHBondContact O-CB 3.31Å; A135-K139 PolarHBondContact O-N 2.86Å; D136-K139 PolarHBondContact O-N 3.41Å; K139-R141 VanDerWaalsContact C-N 3.34Å; K139-R141 PolarHBondContact O-N 3.37Å; K139-L142 PolarHBondContact O-N 3.27Å; K139-Q143 VanDerWaalsContact CE-NE2 3.29Å; K139-Q143 VanDerWaalsContact O-CG 3.31Å; K139-Q143 WeakPolarHBondContact O-CG 2.99Å; K139-Q143 PolarHBondContact O-N 3.24Å
140Q92.8Very high90.3Very high11 Ų1129.6 Ų29.65%0.05116%0.158CC..Hα-helixtrans-66.1-35.5-174.9-71.8-175.9-29.800112.3T44 D136 V138 Q143 L144 T231 N234 T235T44-Q140 HydrophobicContact CG2-CB 4.2Å; T44-Q140 HydrophobicContact CG2-CG 4.44Å; D136-Q140 WeakPolarHBondContact O-CB 3.27Å; D136-Q140 WeakPolarHBondContact O-CG 3.29Å; D136-Q140 PolarHBondContact O-N 3.48Å; V138-Q140 PolarHBondContact O-N 2.89Å; Q140-Q143 PolarHBondContact O-N 3.18Å; Q140-L144 PolarHBondContact O-N 2.84Å; Q140-T231 PolarHBondContact NE2-OG1 2.9Å; Q140-T231 VanDerWaalsContact NE2-OG1 3.13Å; Q140-N234 HydrophobicContact CB-CB 4.31Å; Q140-N234 PolarHBondContact OE1-ND2 3.47Å; Q140-T235 HydrophobicContact CB-CG2 3.97Å
141R92.1Very high90Very high1 Ų131.7 Ų31.70%0.00417%0.166CC..Hα-helixtrans-66-36.8173.3-73.6176.6178.1-136.8-1.6113.2A137 V138 K139 Q143 L144 S147 Y149 E163 N234 Q236 D237A137-R141 WeakPolarHBondContact O-CG 3.05Å; A137-R141 PolarHBondContact O-N 3.02Å; A137-R141 VanDerWaalsContact O-N 3.16Å; V138-R141 PolarHBondContact O-N 3.39Å; K139-R141 VanDerWaalsContact C-N 3.34Å; K139-R141 PolarHBondContact O-N 3.37Å; R141-Q143 VanDerWaalsContact C-N 3.33Å; R141-L144 WeakPolarHBondContact O-CB 3.5Å; R141-L144 PolarHBondContact O-N 3.24Å; R141-S147 WeakPolarHBondContact O-CB 3.36Å; R141-S147 PolarHBondContact O-OG 3.23Å; R141-Y149 HydrophobicContact CB-CD2 4.44Å; R141-Y149 HydrophobicContact CB-CE2 4.11Å; R141-E163 IonicContact CZ-OE1 2.73Å; R141-E163 IonicContact CZ-OE2 2.77Å; R141-E163 IonicContact NH1-OE1 3.4Å; R141-E163 PolarHBondContact NH1-OE1 3.27Å; R141-E163 IonicContact NH1-OE2 2.99Å; R141-E163 IonicContact NH2-OE1 2.73Å; R141-E163 IonicContact NH2-OE2 3.07Å; R141-E163 PolarHBondContact NH2-OE2 3.5Å; R141-N234 WeakPolarHBondContact CG-O 3.48Å; R141-N234 PolarHBondContact NE-O 3.34Å; R141-Q236 PolarHBondContact NH2-O 3.02Å; R141-D237 IonicContact NH1-OD1 3.38Å
142L91.4Very high90Very high11 Ų1130 Ų306%0.05816%0.159CC..Hα-helixtrans-71.5-28.9174.4-77.6162.1000112.8V138 K139 L144 C155V138-L142 HydrophobicContact CG1-CD1 3.85Å; V138-L142 PolarHBondContact O-N 3.33Å; K139-L142 PolarHBondContact O-N 3.27Å; L142-L144 PolarHBondContact O-N 2.89Å; L142-C155 HydrophobicContact CD1-CB 4.17Å; L142-C155 HydrophobicContact CD2-CB 4.31Å; L142-C155 HydrophobicContact CG-CB 4.13Å
143Q91Very high90Very high2 Ų235.1 Ų35.11%0.00918%0.181CC..THydrogen-bonded Turntrans-75.4-9.8176.8-74.7178.8-20.900113.8Y37 C41 T44 R45 K139 Q140 R141Y37-Q143 HydrophobicContact CE1-CG 4.2Å; C41-Q143 HydrophobicContact CB-CB 4.41Å; C41-Q143 HydrophobicContact CB-CG 4.15Å; C41-Q143 PolarHBondContact SG-O 2.92Å; T44-Q143 HydrophobicContact CG2-CB 3.96Å; T44-Q143 PolarHBondContact OG1-OE1 3.29Å; R45-Q143 WeakPolarHBondContact CG-O 3.2Å; R45-Q143 PolarHBondContact NE-O 3.47Å; K139-Q143 VanDerWaalsContact CE-NE2 3.29Å; K139-Q143 VanDerWaalsContact O-CG 3.31Å; K139-Q143 WeakPolarHBondContact O-CG 2.99Å; K139-Q143 PolarHBondContact O-N 3.24Å; Q140-Q143 PolarHBondContact O-N 3.18Å; R141-Q143 VanDerWaalsContact C-N 3.33Å
144L88.4Confident89.9Confident21 Ų2136.1 Ų36.111%0.1119%0.186CC..SBendtrans-64.2145.1175.2-67.7175.4000111.7T44 C48 Q140 R141 L142 N146 S147 T235 D237T44-L144 HydrophobicContact CG2-CD2 4.49Å; C48-L144 WeakPolarHBondContact SG-CD2 3.27Å; Q140-L144 PolarHBondContact O-N 2.84Å; R141-L144 WeakPolarHBondContact O-CB 3.5Å; R141-L144 PolarHBondContact O-N 3.24Å; L142-L144 PolarHBondContact O-N 2.89Å; L144-N146 PolarHBondContact O-N 3.17Å; L144-S147 WeakPolarHBondContact O-CB 3.3Å; L144-S147 PolarHBondContact O-N 3.33Å; L144-T235 HydrophobicContact CD1-CG2 4.14Å; L144-T235 HydrophobicContact CD2-CG2 3.71Å; L144-T235 HydrophobicContact CG-CG2 4.03Å; L144-D237 WeakPolarHBondContact CD1-OD2 3.34Å
145Y82.7Confident89.9Confident53 Ų5335 Ų3521%0.20818%0.178CC..THydrogen-bonded Turntrans-62.6132174.4-176.7-104.8000110.3S55 S147S55-Y145 WeakPolarHBondContact OG-CB 3.47Å; Y145-S147 PolarHBondContact O-N 2.96Å
146N81Confident89.9Confident117 Ų11737.5 Ų37.563%0.62619%0.19SC*.THydrogen-bonded Turntrans51.141.9-173-70.6-27.5000113.3L144L144-N146 PolarHBondContact O-N 3.17Å
147S84.6Confident90Very high29 Ų2944.1 Ų44.120%0.20321%0.213CC..  trans-51.4129.7175.4-170.60000110.9R141 L144 Y145 Y149R141-S147 WeakPolarHBondContact O-CB 3.36Å; R141-S147 PolarHBondContact O-OG 3.23Å; L144-S147 WeakPolarHBondContact O-CB 3.3Å; L144-S147 PolarHBondContact O-N 3.33Å; Y145-S147 PolarHBondContact O-N 2.96Å; S147-Y149 PolarHBondContact O-N 3.4Å; S147-Y149 VanDerWaalsContact O-N 3.17Å; S147-Y149 WeakPolarHBondContact OG-CD2 3.3Å
148P83.5Confident89.9Confident43 Ų4348.7 Ų48.728%0.27923%0.23SC..SBendtrans-74.9-2.1-176.732-37.1000113.4R158 V240P148-R158 PolarHBondContact O-NH1 2.98Å; P148-V240 HydrophobicContact CG-CG2 4.22Å
149Y88.5Confident89.8Confident10 Ų1048.5 Ų48.54%0.03923%0.229CC..  trans-99.2135.6-176-48.9-70.6000110.5R141 S147 C155 R158 V159 D237R141-Y149 HydrophobicContact CB-CD2 4.44Å; R141-Y149 HydrophobicContact CB-CE2 4.11Å; S147-Y149 PolarHBondContact O-N 3.4Å; S147-Y149 VanDerWaalsContact O-N 3.17Å; S147-Y149 WeakPolarHBondContact OG-CD2 3.3Å; Y149-C155 HydrophobicContact CD1-CB 4Å; Y149-C155 HydrophobicContact CD2-CB 4.1Å; Y149-C155 VanDerWaalsContact CD2-SG 3.53Å; Y149-C155 HydrophobicContact CG-CB 3.66Å; Y149-R158 HydrophobicContact CD1-CB 4.26Å; Y149-R158 HydrophobicContact CE1-CB 3.9Å; Y149-V159 HydrophobicContact CE1-CG2 4.24Å; Y149-D237 PolarHBondContact OH-OD1 3.06Å; Y149-D237 VanDerWaalsContact OH-OD1 3.06Å
150H86.7Confident89.8Confident140 Ų14049.4 Ų49.465%0.64824%0.237SC*.SBendtrans-79.2-40.2-177.8-180-102.2000112.7D154H150-D154 PolarHBondContact N-OD2 3.12Å
151N89.3Confident89.7Confident67 Ų6754.9 Ų54.936%0.35827%0.266SS..SBendtrans-151.2175.1-177.962.340.5000111.4F153 D154 C155N151-F153 VanDerWaalsContact C-N 3.34Å; N151-F153 PolarHBondContact O-N 3.48Å; N151-F153 PolarHBondContact OD1-N 3.14Å; N151-D154 PolarHBondContact O-N 3.08Å; N151-D154 VanDerWaalsContact OD1-CB 3.29Å; N151-D154 WeakPolarHBondContact OD1-CB 3.4Å; N151-D154 PolarHBondContact OD1-N 3.2Å; N151-C155 WeakPolarHBondContact O-CB 3.41Å; N151-C155 PolarHBondContact O-N 3.48Å
152T91.9Very high89.5Confident21 Ų2158.9 Ų58.913%0.12929%0.29CS..Hα-helixtrans-51.5-46.9178.4-57.30000113.4A82 V138 C155 L156A82-T152 HydrophobicContact CB-CG2 3.62Å; A82-T152 PolarHBondContact N-OG1 3.36Å; A82-T152 VanDerWaalsContact N-OG1 3.14Å; V138-T152 HydrophobicContact CG1-CG2 3.91Å; T152-C155 PolarHBondContact O-N 3.16Å; T152-L156 WeakPolarHBondContact O-CB 3.38Å; T152-L156 PolarHBondContact O-N 3.28Å
153F92.9Very high89.3Confident126 Ų12659.4 Ų59.455%0.55329%0.292SS*.Hα-helixtrans-71.9-38.7-177.2-67.3-70.2000112.7W85 N151 L156 R157W85-F153 AromaticContact NE1-CZ 3.78Å; N151-F153 VanDerWaalsContact C-N 3.34Å; N151-F153 PolarHBondContact O-N 3.48Å; N151-F153 PolarHBondContact OD1-N 3.14Å; F153-L156 PolarHBondContact O-N 3.32Å; F153-R157 WeakPolarHBondContact O-CB 3.41Å; F153-R157 PolarHBondContact O-N 3.32Å
154D92.6Very high89.2Confident25 Ų2560.6 Ų60.613%0.13431%0.306CS..Hα-helixtrans-63-44.1174.1-179.552.9000110.8H150 N151 R158H150-D154 PolarHBondContact N-OD2 3.12Å; N151-D154 PolarHBondContact O-N 3.08Å; N151-D154 VanDerWaalsContact OD1-CB 3.29Å; N151-D154 WeakPolarHBondContact OD1-CB 3.4Å; N151-D154 PolarHBondContact OD1-N 3.2Å; D154-R158 WeakPolarHBondContact O-CB 3.33Å; D154-R158 VanDerWaalsContact O-CG 3.29Å; D154-R158 WeakPolarHBondContact O-CG 3.43Å; D154-R158 PolarHBondContact O-N 3.19Å; D154-R158 IonicContact OD1-CZ 3.1Å; D154-R158 IonicContact OD1-NE 3.77Å; D154-R158 PolarHBondContact OD1-NE 2.87Å; D154-R158 IonicContact OD1-NH2 3.74Å; D154-R158 PolarHBondContact OD1-NH2 3.41Å; D154-R158 IonicContact OD2-CZ 2.83Å; D154-R158 VanDerWaalsContact OD2-CZ 3.24Å; D154-R158 IonicContact OD2-NE 2.84Å; D154-R158 PolarHBondContact OD2-NE 3.41Å; D154-R158 IonicContact OD2-NH1 2.97Å; D154-R158 IonicContact OD2-NH2 3.81Å; D154-R158 PolarHBondContact OD2-NH2 3.46Å
155C92.3Very high89.4Confident0 Ų065.3 Ų65.30%033%0.33CS..Hα-helixtrans-58.5-57.9173.1-172.80000110.9V138 L142 Y149 N151 T152 R157 R158 V159V138-C155 HydrophobicContact CG1-CB 3.94Å; L142-C155 HydrophobicContact CD1-CB 4.17Å; L142-C155 HydrophobicContact CD2-CB 4.31Å; L142-C155 HydrophobicContact CG-CB 4.13Å; Y149-C155 HydrophobicContact CD1-CB 4Å; Y149-C155 HydrophobicContact CD2-CB 4.1Å; Y149-C155 VanDerWaalsContact CD2-SG 3.53Å; Y149-C155 HydrophobicContact CG-CB 3.66Å; N151-C155 WeakPolarHBondContact O-CB 3.41Å; N151-C155 PolarHBondContact O-N 3.48Å; T152-C155 PolarHBondContact O-N 3.16Å; C155-R157 VanDerWaalsContact C-N 3.35Å; C155-R157 PolarHBondContact O-N 3.05Å; C155-R158 PolarHBondContact O-N 2.88Å; C155-V159 WeakPolarHBondContact O-CB 3.5Å; C155-V159 WeakPolarHBondContact O-CG2 3.32Å; C155-V159 PolarHBondContact O-N 3.33Å
156L93.5Very high89.7Confident66 Ų6665.5 Ų65.535%0.34635%0.349SS..Hα-helixtrans-53.9-50.9-179.8-179.963.9000111.6V138 T152 F153 R158 V159 C160 L168V138-L156 HydrophobicContact CG2-CB 4.24Å; V138-L156 HydrophobicContact CG2-CD1 4.1Å; T152-L156 WeakPolarHBondContact O-CB 3.38Å; T152-L156 PolarHBondContact O-N 3.28Å; F153-L156 PolarHBondContact O-N 3.32Å; L156-R158 PolarHBondContact O-N 3.44Å; L156-V159 PolarHBondContact O-N 3.38Å; L156-C160 WeakPolarHBondContact O-CB 3.34Å; L156-C160 PolarHBondContact O-N 3.05Å; L156-C160 PolarHBondContact O-SG 3.26Å; L156-L168 HydrophobicContact CD1-CD1 3.76Å
157R94.5Very high90.1Very high164 Ų16460.3 Ų60.362%0.61932%0.321SS*.Hα-helixtrans-59.3-50.6-179.7179.1176.8177.5-106.20.3111.7F153 C155 C160 L161F153-R157 WeakPolarHBondContact O-CB 3.41Å; F153-R157 PolarHBondContact O-N 3.32Å; C155-R157 VanDerWaalsContact C-N 3.35Å; C155-R157 PolarHBondContact O-N 3.05Å; R157-C160 PolarHBondContact O-N 2.88Å; R157-L161 HydrophobicContact CG-CD1 3.73Å; R157-L161 HydrophobicContact CG-CG 4.42Å; R157-L161 WeakPolarHBondContact O-CB 3.34Å; R157-L161 VanDerWaalsContact O-CG 3.24Å; R157-L161 WeakPolarHBondContact O-CG 3.37Å; R157-L161 PolarHBondContact O-N 2.8Å
158R92.4Very high90.5Very high96 Ų9659.2 Ų59.236%0.36231%0.313SS..Hα-helixtrans-64.7-41.7-178.6-72.4-173.8-162.1-178.36.9111.5P148 Y149 D154 C155 L156 L161 T162P148-R158 PolarHBondContact O-NH1 2.98Å; Y149-R158 HydrophobicContact CD1-CB 4.26Å; Y149-R158 HydrophobicContact CE1-CB 3.9Å; D154-R158 WeakPolarHBondContact O-CB 3.33Å; D154-R158 VanDerWaalsContact O-CG 3.29Å; D154-R158 WeakPolarHBondContact O-CG 3.43Å; D154-R158 PolarHBondContact O-N 3.19Å; D154-R158 IonicContact OD1-CZ 3.1Å; D154-R158 IonicContact OD1-NE 3.77Å; D154-R158 PolarHBondContact OD1-NE 2.87Å; D154-R158 IonicContact OD1-NH2 3.74Å; D154-R158 PolarHBondContact OD1-NH2 3.41Å; D154-R158 IonicContact OD2-CZ 2.83Å; D154-R158 VanDerWaalsContact OD2-CZ 3.24Å; D154-R158 IonicContact OD2-NE 2.84Å; D154-R158 PolarHBondContact OD2-NE 3.41Å; D154-R158 IonicContact OD2-NH1 2.97Å; D154-R158 IonicContact OD2-NH2 3.81Å; D154-R158 PolarHBondContact OD2-NH2 3.46Å; C155-R158 PolarHBondContact O-N 2.88Å; L156-R158 PolarHBondContact O-N 3.44Å; R158-L161 PolarHBondContact O-N 3.44Å; R158-T162 VanDerWaalsContact O-CB 3.29Å; R158-T162 WeakPolarHBondContact O-CB 3.33Å; R158-T162 VanDerWaalsContact O-CG2 3.31Å; R158-T162 WeakPolarHBondContact O-CG2 3.31Å; R158-T162 PolarHBondContact O-N 3.46Å; R158-T162 PolarHBondContact O-OG1 2.91Å
159V91.5Very high91.1Very high0 Ų062.4 Ų62.40%032%0.32CS..Hα-helixtrans-63.7-47.1178.2174.80000111Y149 C155 L156 L161 T162 E163 G164 L168Y149-V159 HydrophobicContact CE1-CG2 4.24Å; C155-V159 WeakPolarHBondContact O-CB 3.5Å; C155-V159 WeakPolarHBondContact O-CG2 3.32Å; C155-V159 PolarHBondContact O-N 3.33Å; L156-V159 PolarHBondContact O-N 3.38Å; V159-L161 VanDerWaalsContact C-N 3.34Å; V159-L161 PolarHBondContact O-N 3.13Å; V159-T162 PolarHBondContact O-N 2.94Å; V159-E163 WeakPolarHBondContact O-CA 3.5Å; V159-E163 PolarHBondContact O-N 3.41Å; V159-G164 PolarHBondContact O-N 2.93Å; V159-L168 HydrophobicContact CG1-CD2 3.95Å; V159-L168 HydrophobicContact CG1-CG 4.46Å
160C92Very high91.2Very high35 Ų3563.7 Ų63.724%0.23633%0.325CS..Hα-helixtrans-61-41.4177.3-66.70000112.5L156 R157 G164 L165L156-C160 WeakPolarHBondContact O-CB 3.34Å; L156-C160 PolarHBondContact O-N 3.05Å; L156-C160 PolarHBondContact O-SG 3.26Å; R157-C160 PolarHBondContact O-N 2.88Å; C160-G164 VanDerWaalsContact O-CA 3.31Å; C160-G164 WeakPolarHBondContact O-CA 3.43Å; C160-G164 PolarHBondContact O-N 3.32Å; C160-L165 HydrophobicContact CB-CD2 4.09Å; C160-L165 WeakPolarHBondContact SG-CD2 3.48Å
161L91Very high91.4Very high126 Ų12657.1 Ų57.166%0.6629%0.294SS*.Hα-helixtrans-76.7-32.9-178.9-69.8175.1000113.6R157 R158 V159R157-L161 HydrophobicContact CG-CD1 3.73Å; R157-L161 HydrophobicContact CG-CG 4.42Å; R157-L161 WeakPolarHBondContact O-CB 3.34Å; R157-L161 VanDerWaalsContact O-CG 3.24Å; R157-L161 WeakPolarHBondContact O-CG 3.37Å; R157-L161 PolarHBondContact O-N 2.8Å; R158-L161 PolarHBondContact O-N 3.44Å; V159-L161 VanDerWaalsContact C-N 3.34Å; V159-L161 PolarHBondContact O-N 3.13Å
162T88.6Confident91.6Very high84 Ų8456.7 Ų56.752%0.51529%0.288SS..Hα-helixtrans-99.3-32.5-172.860.50000114R158 V159R158-T162 VanDerWaalsContact O-CB 3.29Å; R158-T162 WeakPolarHBondContact O-CB 3.33Å; R158-T162 VanDerWaalsContact O-CG2 3.31Å; R158-T162 WeakPolarHBondContact O-CG2 3.31Å; R158-T162 PolarHBondContact O-N 3.46Å; R158-T162 PolarHBondContact O-OG1 2.91Å; V159-T162 PolarHBondContact O-N 2.94Å
163E86.5Confident91.7Very high22 Ų2262.3 Ų62.310%0.10331%0.311CS..THydrogen-bonded Turntrans-115.4-20.9-176.5-51.9-172.2-149.800113.3R141 V159 V167 R238R141-E163 IonicContact CZ-OE1 2.73Å; R141-E163 IonicContact CZ-OE2 2.77Å; R141-E163 IonicContact NH1-OE1 3.4Å; R141-E163 PolarHBondContact NH1-OE1 3.27Å; R141-E163 IonicContact NH1-OE2 2.99Å; R141-E163 IonicContact NH2-OE1 2.73Å; R141-E163 IonicContact NH2-OE2 3.07Å; R141-E163 PolarHBondContact NH2-OE2 3.5Å; V159-E163 WeakPolarHBondContact O-CA 3.5Å; V159-E163 PolarHBondContact O-N 3.41Å; E163-V167 HydrophobicContact CB-CB 4.29Å; E163-V167 HydrophobicContact CB-CG2 3.63Å; E163-V167 WeakPolarHBondContact O-CG2 3.36Å; E163-V167 WeakPolarHBondContact OE2-CG1 3.38Å; E163-R238 HydrophobicContact CG-CB 4.27Å; E163-R238 HydrophobicContact CG-CG 4.36Å
164G89.3Confident91.7Very high28 Ų2856.3 Ų56.329%0.28929%0.285SS..  trans91.8159.3-17800000113.7V159 C160 G166 V167V159-G164 PolarHBondContact O-N 2.93Å; C160-G164 VanDerWaalsContact O-CA 3.31Å; C160-G164 WeakPolarHBondContact O-CA 3.43Å; C160-G164 PolarHBondContact O-N 3.32Å; G164-G166 VanDerWaalsContact C-N 3.32Å; G164-G166 PolarHBondContact O-N 3.09Å; G164-V167 PolarHBondContact O-N 3.29Å
165L91.3Very high91.7Very high119 Ų11955.9 Ų55.962%0.62328%0.282SS*.G310 helixtrans-62.2-34.7-175.7-69.1167.6000113.6C160 V167 L168C160-L165 HydrophobicContact CB-CD2 4.09Å; C160-L165 WeakPolarHBondContact SG-CD2 3.48Å; L165-V167 PolarHBondContact O-N 3.03Å; L165-L168 PolarHBondContact O-N 2.97Å; L165-L168 VanDerWaalsContact O-N 3.16Å
166G89.8Confident91.7Very high58 Ų5857.3 Ų57.360%0.59829%0.289SS*.G310 helixtrans-63.5-14.3-178.600000114.3G164 Y169G164-G166 VanDerWaalsContact C-N 3.32Å; G164-G166 PolarHBondContact O-N 3.09Å; G166-Y169 PolarHBondContact O-N 2.88Å
167V90.2Very high91.6Very high7 Ų755.7 Ų55.74%0.04228%0.284CS..G310 helixtrans-69.7-36.1176.2179.50000112.4E163 G164 L165 Y169 R170E163-V167 HydrophobicContact CB-CB 4.29Å; E163-V167 HydrophobicContact CB-CG2 3.63Å; E163-V167 WeakPolarHBondContact O-CG2 3.36Å; E163-V167 WeakPolarHBondContact OE2-CG1 3.38Å; G164-V167 PolarHBondContact O-N 3.29Å; L165-V167 PolarHBondContact O-N 3.03Å; V167-Y169 PolarHBondContact O-N 2.77Å; V167-Y169 VanDerWaalsContact O-N 3.12Å; V167-R170 WeakPolarHBondContact O-CB 3.46Å; V167-R170 WeakPolarHBondContact O-CG 3.23Å; V167-R170 PolarHBondContact O-N 2.95Å; V167-R170 VanDerWaalsContact O-N 3.14Å
168L92.8Very high91.5Very high6 Ų648.5 Ų48.53%0.03126%0.258CS..THydrogen-bonded Turntrans-62.1-22.4-179.9-63.4173.9000112T133 P134 A137 V138 L156 V159 L165T133-L168 VanDerWaalsContact CG2-O 3.23Å; T133-L168 WeakPolarHBondContact CG2-O 3.48Å; P134-L168 HydrophobicContact CB-CB 4.08Å; P134-L168 HydrophobicContact CB-CD1 4.21Å; P134-L168 HydrophobicContact CG-CB 4.34Å; A137-L168 HydrophobicContact CB-CD2 3.91Å; V138-L168 HydrophobicContact CG2-CD2 4.15Å; L156-L168 HydrophobicContact CD1-CD1 3.76Å; V159-L168 HydrophobicContact CG1-CD2 3.95Å; V159-L168 HydrophobicContact CG1-CG 4.46Å; L165-L168 PolarHBondContact O-N 2.97Å; L165-L168 VanDerWaalsContact O-N 3.16Å
169Y94.7Very high91.5Very high111 Ų11145.7 Ų45.744%0.43525%0.249SC..THydrogen-bonded Turntrans-100.24.3-179-73.2-85000114.6A130 T133 P134 G166 V167 A171 Y172A130-Y169 WeakPolarHBondContact O-CE1 3.33Å; A130-Y169 PolarHBondContact O-OH 3.23Å; T133-Y169 HydrophobicContact CG2-CD1 4.3Å; P134-Y169 HydrophobicContact CG-CD2 4.48Å; P134-Y169 HydrophobicContact CG-CE1 4.08Å; P134-Y169 HydrophobicContact CG-CE2 3.72Å; P134-Y169 VanDerWaalsContact CG-CZ 3.47Å; P134-Y169 WeakPolarHBondContact CG-OH 3.36Å; G166-Y169 PolarHBondContact O-N 2.88Å; V167-Y169 PolarHBondContact O-N 2.77Å; V167-Y169 VanDerWaalsContact O-N 3.12Å; Y169-A171 PolarHBondContact O-N 2.94Å; Y169-Y172 WeakPolarHBondContact O-CB 3.2Å; Y169-Y172 PolarHBondContact O-N 3.41Å; Y169-Y172 VanDerWaalsContact O-N 3.08Å
170R90.8Very high91.4Very high37 Ų3751.3 Ų51.314%0.1428%0.278CS..THydrogen-bonded Turntrans-59.2-33.2-177.4-78.6-178.5-175.7161.614.9113.7V167 L233V167-R170 WeakPolarHBondContact O-CB 3.46Å; V167-R170 WeakPolarHBondContact O-CG 3.23Å; V167-R170 PolarHBondContact O-N 2.95Å; V167-R170 VanDerWaalsContact O-N 3.14Å; R170-L233 HydrophobicContact CB-CD2 4.49Å
171A92.1Very high91.5Very high1 Ų152 Ų521%0.00828%0.282CS..THydrogen-bonded Turntrans-92.8-0.2-179.600000113.6Y169 F173 T174 Q175 K230 L233 N234Y169-A171 PolarHBondContact O-N 2.94Å; A171-F173 PolarHBondContact O-N 3.38Å; A171-T174 WeakPolarHBondContact O-CB 3.28Å; A171-T174 PolarHBondContact O-N 3.07Å; A171-T174 VanDerWaalsContact O-N 3.13Å; A171-Q175 WeakPolarHBondContact O-CB 3.41Å; A171-Q175 PolarHBondContact O-N 2.91Å; A171-K230 HydrophobicContact CB-CG 4.13Å; A171-L233 HydrophobicContact CB-CB 3.96Å; A171-L233 HydrophobicContact CB-CD1 4.44Å; A171-N234 WeakPolarHBondContact CB-OD1 3.49Å
172Y93.8Very high91.7Very high58 Ų5849.1 Ų49.123%0.22726%0.263CS..Hα-helixtrans-55.5-50.4-175.1179.8-118.4000112.4L126 D129 A130 T133 Y169 T174 Q175 L176L126-Y172 PolarHBondContact O-OH 3.31Å; D129-Y172 HydrophobicContact CB-CE2 3.9Å; A130-Y172 HydrophobicContact CB-CE2 3.98Å; T133-Y172 WeakPolarHBondContact OG1-CD2 3.33Å; Y169-Y172 WeakPolarHBondContact O-CB 3.2Å; Y169-Y172 PolarHBondContact O-N 3.41Å; Y169-Y172 VanDerWaalsContact O-N 3.08Å; Y172-T174 PolarHBondContact O-N 3.37Å; Y172-Q175 WeakPolarHBondContact O-CB 3.46Å; Y172-Q175 PolarHBondContact O-N 3.05Å; Y172-L176 HydrophobicContact CD1-CD1 4.22Å; Y172-L176 HydrophobicContact CE1-CD1 3.69Å; Y172-L176 HydrophobicContact CE2-CD1 4.16Å; Y172-L176 HydrophobicContact CE2-CD2 4.4Å; Y172-L176 HydrophobicContact CE2-CG 4.26Å; Y172-L176 WeakPolarHBondContact O-CG 3.42Å; Y172-L176 PolarHBondContact O-N 2.92Å
173F92.8Very high91.9Very high139 Ų13950.8 Ų50.861%0.6127%0.265SS*.Hα-helixtrans-64.9-39.5178.4-178.8-98.1000112.7A171 Q175 L176 S177A171-F173 PolarHBondContact O-N 3.38Å; F173-Q175 VanDerWaalsContact C-N 3.3Å; F173-Q175 PolarHBondContact O-N 2.83Å; F173-L176 PolarHBondContact O-N 3.48Å; F173-S177 WeakPolarHBondContact CE1-OG 3.15Å; F173-S177 WeakPolarHBondContact O-CB 3.29Å; F173-S177 PolarHBondContact O-N 3.36Å; F173-S177 PolarHBondContact O-OG 2.99Å
174T92.5Very high92.3Very high1 Ų153.7 Ų53.71%0.00628%0.284CS..Hα-helixtrans-63.5-39.4176.5-550000111.3A171 Y172 S177 M178 L226 C229 K230 L233 L260A171-T174 WeakPolarHBondContact O-CB 3.28Å; A171-T174 PolarHBondContact O-N 3.07Å; A171-T174 VanDerWaalsContact O-N 3.13Å; Y172-T174 PolarHBondContact O-N 3.37Å; T174-S177 PolarHBondContact O-N 2.9Å; T174-M178 VanDerWaalsContact O-CB 3.31Å; T174-M178 WeakPolarHBondContact O-CB 3.5Å; T174-M178 PolarHBondContact O-N 3.38Å; T174-L226 WeakPolarHBondContact CG2-O 3.43Å; T174-C229 HydrophobicContact CG2-CB 4.12Å; T174-K230 HydrophobicContact CG2-CB 4.03Å; T174-L233 HydrophobicContact CG2-CD1 4.5Å; T174-L233 VanDerWaalsContact OG1-CD1 3.25Å; T174-L233 WeakPolarHBondContact OG1-CD1 3.28Å; T174-L260 HydrophobicContact CG2-CD1 3.9Å
175Q93Very high92.6Very high16 Ų1654.2 Ų54.28%0.07528%0.28CS..Hα-helixtrans-61.5-49.3176.1173.460.820.600111.1A171 Y172 F173 S177 M178 N179A171-Q175 WeakPolarHBondContact O-CB 3.41Å; A171-Q175 PolarHBondContact O-N 2.91Å; Y172-Q175 WeakPolarHBondContact O-CB 3.46Å; Y172-Q175 PolarHBondContact O-N 3.05Å; F173-Q175 VanDerWaalsContact C-N 3.3Å; F173-Q175 PolarHBondContact O-N 2.83Å; Q175-S177 VanDerWaalsContact C-N 3.35Å; Q175-S177 PolarHBondContact O-N 3.07Å; Q175-M178 WeakPolarHBondContact O-CB 3.29Å; Q175-M178 PolarHBondContact O-N 2.73Å; Q175-M178 VanDerWaalsContact O-N 3.16Å; Q175-M178 VanDerWaalsContact OE1-CE 3.29Å; Q175-N179 PolarHBondContact NE2-ND2 3.48Å; Q175-N179 PolarHBondContact NE2-OD1 3.49Å; Q175-N179 WeakPolarHBondContact O-CB 3.34Å; Q175-N179 PolarHBondContact O-N 3.47Å
176L92.2Very high92.8Very high29 Ų2950.8 Ų50.815%0.15226%0.261CS..Hα-helixtrans-60.6-45.3176.3-67.4176.9000112L126 D129 Y172 F173 M178 N179 I180L126-L176 HydrophobicContact CD2-CD1 3.62Å; L126-L176 HydrophobicContact CD2-CD2 3.74Å; L126-L176 HydrophobicContact CD2-CG 4.34Å; D129-L176 HydrophobicContact CB-CD2 4.01Å; D129-L176 WeakPolarHBondContact OD2-CD2 3.37Å; Y172-L176 HydrophobicContact CD1-CD1 4.22Å; Y172-L176 HydrophobicContact CE1-CD1 3.69Å; Y172-L176 HydrophobicContact CE2-CD1 4.16Å; Y172-L176 HydrophobicContact CE2-CD2 4.4Å; Y172-L176 HydrophobicContact CE2-CG 4.26Å; Y172-L176 WeakPolarHBondContact O-CG 3.42Å; Y172-L176 PolarHBondContact O-N 2.92Å; F173-L176 PolarHBondContact O-N 3.48Å; L176-M178 PolarHBondContact O-N 2.99Å; L176-N179 PolarHBondContact O-N 3.47Å; L176-I180 PolarHBondContact O-N 2.92Å
177S92.4Very high93Very high33 Ų3354 Ų5423%0.23126%0.259CS..Hα-helixtrans-64.2-23.3178.6-56.60000112.8F173 T174 Q175 P181 L226F173-S177 WeakPolarHBondContact CE1-OG 3.15Å; F173-S177 WeakPolarHBondContact O-CB 3.29Å; F173-S177 PolarHBondContact O-N 3.36Å; F173-S177 PolarHBondContact O-OG 2.99Å; T174-S177 PolarHBondContact O-N 2.9Å; Q175-S177 VanDerWaalsContact C-N 3.35Å; Q175-S177 PolarHBondContact O-N 3.07Å; S177-P181 WeakPolarHBondContact O-CD 3.21Å; S177-P181 VanDerWaalsContact O-CG 3.31Å; S177-P181 WeakPolarHBondContact O-CG 3.15Å; S177-L226 WeakPolarHBondContact O-CD1 3.48Å
178M92.8Very high93.3Very high13 Ų1358 Ų586%0.06428%0.283CS..Hα-helixtrans-87.2-42.2176.3-175.8-171.274.400112.4T174 Q175 L176 I180 P181 Y182 L226 D227 K230T174-M178 VanDerWaalsContact O-CB 3.31Å; T174-M178 WeakPolarHBondContact O-CB 3.5Å; T174-M178 PolarHBondContact O-N 3.38Å; Q175-M178 WeakPolarHBondContact O-CB 3.29Å; Q175-M178 PolarHBondContact O-N 2.73Å; Q175-M178 VanDerWaalsContact O-N 3.16Å; Q175-M178 VanDerWaalsContact OE1-CE 3.29Å; L176-M178 PolarHBondContact O-N 2.99Å; M178-I180 PolarHBondContact O-N 3.06Å; M178-P181 WeakPolarHBondContact O-CD 3.5Å; M178-Y182 WeakPolarHBondContact O-CB 3.39Å; M178-Y182 PolarHBondContact O-N 3.35Å; M178-Y182 VanDerWaalsContact O-N 3.08Å; M178-L226 HydrophobicContact CB-CB 3.88Å; M178-L226 HydrophobicContact CB-CD1 4.16Å; M178-L226 HydrophobicContact CG-CB 3.9Å; M178-D227 HydrophobicContact SD-CB 3.62Å; M178-K230 HydrophobicContact CE-CD 4.14Å
179N91.3Very high93.5Very high36 Ų3659.1 Ų59.119%0.19329%0.291CS..Hα-helixtrans-61.8-45.3-174.9-86.9-2.2000112D129 Q175 L176 Y182 Q183D129-N179 PolarHBondContact OD2-ND2 2.93Å; Q175-N179 PolarHBondContact NE2-ND2 3.48Å; Q175-N179 PolarHBondContact NE2-OD1 3.49Å; Q175-N179 WeakPolarHBondContact O-CB 3.34Å; Q175-N179 PolarHBondContact O-N 3.47Å; L176-N179 PolarHBondContact O-N 3.47Å; N179-Y182 PolarHBondContact O-N 3.03Å; N179-Q183 VanDerWaalsContact O-CG 3.28Å; N179-Q183 WeakPolarHBondContact O-CG 3.44Å; N179-Q183 PolarHBondContact O-N 3.44Å
180I89.5Confident93.5Very high118 Ų11855.1 Ų55.161%0.60528%0.275SS*.Hα-helixtrans-61.4-55.2-177.2-62.9167.4000111.1L176 M178 Y182 Q183 T184L176-I180 PolarHBondContact O-N 2.92Å; M178-I180 PolarHBondContact O-N 3.06Å; I180-Y182 VanDerWaalsContact C-N 3.3Å; I180-Y182 PolarHBondContact O-N 3.39Å; I180-Q183 PolarHBondContact O-N 2.9Å; I180-T184 PolarHBondContact O-N 2.73Å; I180-T184 PolarHBondContact O-OG1 2.94Å; I180-T184 VanDerWaalsContact O-OG1 3.09Å
181P93.3Very high93.6Very high49 Ų4956.2 Ų56.232%0.31828%0.282SS..Hα-helixtrans-60.3-37.3176.2-24.734.8000113.5S177 M178 T184 I185 T223S177-P181 WeakPolarHBondContact O-CD 3.21Å; S177-P181 VanDerWaalsContact O-CG 3.31Å; S177-P181 WeakPolarHBondContact O-CG 3.15Å; M178-P181 WeakPolarHBondContact O-CD 3.5Å; P181-T184 PolarHBondContact O-N 2.86Å; P181-I185 WeakPolarHBondContact O-CB 3.12Å; P181-I185 VanDerWaalsContact O-CG1 3.24Å; P181-I185 WeakPolarHBondContact O-CG1 3.44Å; P181-I185 PolarHBondContact O-N 3.16Å; P181-T223 HydrophobicContact CB-CG2 4.02Å
182Y95.1Very high93.8Very high67 Ų6761.8 Ų61.826%0.26331%0.307SS..Hα-helixtrans-58.8-51.2178-178.7-90.5000110.6M178 N179 I180 H186 A219M178-Y182 WeakPolarHBondContact O-CB 3.39Å; M178-Y182 PolarHBondContact O-N 3.35Å; M178-Y182 VanDerWaalsContact O-N 3.08Å; N179-Y182 PolarHBondContact O-N 3.03Å; I180-Y182 VanDerWaalsContact C-N 3.3Å; I180-Y182 PolarHBondContact O-N 3.39Å; Y182-H186 WeakPolarHBondContact O-CB 3.45Å; Y182-H186 PolarHBondContact O-N 2.69Å; Y182-A219 HydrophobicContact CD2-CB 3.67Å; Y182-A219 HydrophobicContact CE2-CB 3.67Å; Y182-A219 HydrophobicContact CG-CB 4.23Å
183Q92.9Very high93.8Very high118 Ų11859.3 Ų59.355%0.55130%0.299SS*.Hα-helixtrans-66.7-40.9-178-63.2-67.940.900112.2N179 I180 H186 F187N179-Q183 VanDerWaalsContact O-CG 3.28Å; N179-Q183 WeakPolarHBondContact O-CG 3.44Å; N179-Q183 PolarHBondContact O-N 3.44Å; I180-Q183 PolarHBondContact O-N 2.9Å; Q183-H186 PolarHBondContact O-N 3.12Å; Q183-F187 WeakPolarHBondContact O-CB 3.47Å; Q183-F187 PolarHBondContact O-N 2.93Å
184T94.6Very high93.8Very high83 Ų8352.8 Ų52.851%0.50927%0.27SS..Hα-helixtrans-62.7-48.9177.7-57.20000111.8I180 P181 F187 V188I180-T184 PolarHBondContact O-N 2.73Å; I180-T184 PolarHBondContact O-OG1 2.94Å; I180-T184 VanDerWaalsContact O-OG1 3.09Å; P181-T184 PolarHBondContact O-N 2.86Å; T184-F187 PolarHBondContact O-N 3.48Å; T184-V188 WeakPolarHBondContact O-CG2 3.21Å; T184-V188 PolarHBondContact O-N 2.82Å
185I96Very high93.9Very high39 Ų3955.4 Ų55.420%0.229%0.289CS..Hα-helixtrans-65.9-43.6-180-65.2168.7000110.1P181 F187 V188 C189 F218 A219 F222P181-I185 WeakPolarHBondContact O-CB 3.12Å; P181-I185 VanDerWaalsContact O-CG1 3.24Å; P181-I185 WeakPolarHBondContact O-CG1 3.44Å; P181-I185 PolarHBondContact O-N 3.16Å; I185-F187 PolarHBondContact O-N 3.26Å; I185-V188 PolarHBondContact O-N 2.85Å; I185-C189 VanDerWaalsContact O-CB 3.27Å; I185-C189 WeakPolarHBondContact O-CB 3.23Å; I185-C189 PolarHBondContact O-N 3.04Å; I185-C189 PolarHBondContact O-SG 3.04Å; I185-C189 VanDerWaalsContact O-SG 3.33Å; I185-F218 HydrophobicContact CG2-CB 4.22Å; I185-A219 HydrophobicContact CB-CB 4.21Å; I185-A219 HydrophobicContact CG2-CB 4.06Å; I185-F222 HydrophobicContact CD1-CB 3.51Å; I185-F222 HydrophobicContact CD1-CD2 4.23Å; I185-F222 HydrophobicContact CD1-CG 3.86Å; I185-F222 HydrophobicContact CG2-CD2 4.38Å
186H95.4Very high93.9Very high48 Ų4860.5 Ų60.522%0.22232%0.316CS..Hα-helixtrans-56.3-51.3177.2-178.4-81.1000110.9Y182 Q183 C189 Y190 A215 A219Y182-H186 WeakPolarHBondContact O-CB 3.45Å; Y182-H186 PolarHBondContact O-N 2.69Å; Q183-H186 PolarHBondContact O-N 3.12Å; H186-C189 PolarHBondContact O-N 2.63Å; H186-Y190 WeakPolarHBondContact O-CB 3.39Å; H186-Y190 PolarHBondContact O-N 3.37Å; H186-A215 VanDerWaalsContact O-CB 3.32Å; H186-A215 WeakPolarHBondContact O-CB 3.39Å; H186-A219 HydrophobicContact CB-CB 3.95Å
187F94.5Very high94Very high126 Ų12661.6 Ų61.655%0.55332%0.322SS*.Hα-helixtrans-61.6-48.3-179.4-175.2-99000112.6Q183 T184 I185 C189 Y190 E191Q183-F187 WeakPolarHBondContact O-CB 3.47Å; Q183-F187 PolarHBondContact O-N 2.93Å; T184-F187 PolarHBondContact O-N 3.48Å; I185-F187 PolarHBondContact O-N 3.26Å; F187-C189 PolarHBondContact O-N 3.29Å; F187-Y190 PolarHBondContact O-N 2.86Å; F187-E191 HydrophobicContact CD1-CG 4.33Å; F187-E191 HydrophobicContact CE1-CG 3.88Å; F187-E191 HydrophobicContact CE2-CG 4.16Å; F187-E191 HydrophobicContact CZ-CG 3.78Å; F187-E191 WeakPolarHBondContact O-CG 3.42Å; F187-E191 PolarHBondContact O-N 2.88Å
188V96.8Very high93.9Very high89 Ų8960.4 Ų60.454%0.53931%0.312SS..Hα-helixtrans-62.3-45.1-179.9171.90000111.5T184 I185 Y190 H192T184-V188 WeakPolarHBondContact O-CG2 3.21Å; T184-V188 PolarHBondContact O-N 2.82Å; I185-V188 PolarHBondContact O-N 2.85Å; V188-Y190 VanDerWaalsContact C-N 3.35Å; V188-H192 WeakPolarHBondContact O-CB 3.39Å; V188-H192 PolarHBondContact O-N 3.4Å
189C96.2Very high93.8Very high30 Ų3064 Ų6420%0.20334%0.337CS..Hα-helixtrans-67.9-35.7178.1-700000112.1I185 H186 F187 A193 A215I185-C189 VanDerWaalsContact O-CB 3.27Å; I185-C189 WeakPolarHBondContact O-CB 3.23Å; I185-C189 PolarHBondContact O-N 3.04Å; I185-C189 PolarHBondContact O-SG 3.04Å; I185-C189 VanDerWaalsContact O-SG 3.33Å; H186-C189 PolarHBondContact O-N 2.63Å; F187-C189 PolarHBondContact O-N 3.29Å; C189-A193 VanDerWaalsContact O-CB 3.29Å; C189-A193 WeakPolarHBondContact O-CB 3.45Å; C189-A193 PolarHBondContact O-N 2.86Å; C189-A215 HydrophobicContact CB-CB 3.87Å
190Y94.6Very high93.6Very high27 Ų2768.1 Ų68.111%0.10636%0.359CS..Hα-helixtrans-64.1-50.7176.4170.2-96.9000111E10 H186 F187 V188 H192 A193 Q194 H208 S211E10-Y190 PolarHBondContact OE1-OH 3.31Å; H186-Y190 WeakPolarHBondContact O-CB 3.39Å; H186-Y190 PolarHBondContact O-N 3.37Å; F187-Y190 PolarHBondContact O-N 2.86Å; V188-Y190 VanDerWaalsContact C-N 3.35Å; Y190-H192 VanDerWaalsContact C-N 3.3Å; Y190-H192 PolarHBondContact O-N 2.84Å; Y190-A193 PolarHBondContact O-N 3.34Å; Y190-Q194 HydrophobicContact CD1-CG 4.41Å; Y190-Q194 HydrophobicContact CD2-CG 4.31Å; Y190-Q194 HydrophobicContact CE1-CG 3.99Å; Y190-Q194 HydrophobicContact CE2-CG 3.86Å; Y190-Q194 WeakPolarHBondContact O-CB 3.31Å; Y190-Q194 PolarHBondContact O-N 3.23Å; Y190-Q194 PolarHBondContact OH-NE2 3.39Å; Y190-H208 AromaticContact CZ-ND1 3.97Å; Y190-H208 PolarHBondContact OH-CE1 3.29Å; Y190-H208 PolarHBondContact OH-ND1 3.11Å; Y190-S211 WeakPolarHBondContact CD2-OG 3.34Å; Y190-S211 VanDerWaalsContact CE2-OG 3.23Å; Y190-S211 WeakPolarHBondContact CE2-OG 3.24Å
191E94.1Very high93.4Very high60 Ų6068.2 Ų68.228%0.2835%0.352SS..Hα-helixtrans-61.2-40.7178.3-74.3-54.5132.700111.8F187 Q194 S195 R201F187-E191 HydrophobicContact CD1-CG 4.33Å; F187-E191 HydrophobicContact CE1-CG 3.88Å; F187-E191 HydrophobicContact CE2-CG 4.16Å; F187-E191 HydrophobicContact CZ-CG 3.78Å; F187-E191 WeakPolarHBondContact O-CG 3.42Å; F187-E191 PolarHBondContact O-N 2.88Å; E191-Q194 PolarHBondContact O-N 2.92Å; E191-S195 WeakPolarHBondContact O-CB 3.32Å; E191-S195 PolarHBondContact O-N 2.67Å; E191-R201 IonicContact OE1-NH1 3.56Å; E191-R201 IonicContact OE2-CZ 2.69Å; E191-R201 IonicContact OE2-NH1 3.78Å; E191-R201 PolarHBondContact OE2-NH1 3.35Å; E191-R201 IonicContact OE2-NH2 3.22Å; E191-R201 PolarHBondContact OE2-NH2 3.03Å
192H95.4Very high93Very high118 Ų11871.3 Ų71.355%0.54636%0.362SS..Hα-helixtrans-63.6-47.6174.9-173.962000111.9V188 Y190 Q194 S195 L196V188-H192 WeakPolarHBondContact O-CB 3.39Å; V188-H192 PolarHBondContact O-N 3.4Å; Y190-H192 VanDerWaalsContact C-N 3.3Å; Y190-H192 PolarHBondContact O-N 2.84Å; H192-Q194 PolarHBondContact O-N 3.2Å; H192-S195 PolarHBondContact O-N 2.63Å; H192-S195 PolarHBondContact O-OG 3.46Å; H192-L196 WeakPolarHBondContact O-CG 3.24Å; H192-L196 PolarHBondContact O-N 2.92Å
193A95Very high92Very high7 Ų774.1 Ų74.16%0.05837%0.373CS..Hα-helixtrans-63.1-40.617800000112.1C189 Y190 L196 I197C189-A193 VanDerWaalsContact O-CB 3.29Å; C189-A193 WeakPolarHBondContact O-CB 3.45Å; C189-A193 PolarHBondContact O-N 2.86Å; Y190-A193 PolarHBondContact O-N 3.34Å; A193-L196 PolarHBondContact O-N 3.46Å; A193-I197 WeakPolarHBondContact O-CB 3.37Å; A193-I197 WeakPolarHBondContact O-CG1 3.4Å; A193-I197 PolarHBondContact O-N 3.41Å
194Q92.8Very high91.6Very high1 Ų171.2 Ų71.21%0.00536%0.361CS..Hα-helixtrans-64-39.3175.1-79.7-74.743.800112.1Y190 E191 H192 L196 I197 N198 H208Y190-Q194 HydrophobicContact CD1-CG 4.41Å; Y190-Q194 HydrophobicContact CD2-CG 4.31Å; Y190-Q194 HydrophobicContact CE1-CG 3.99Å; Y190-Q194 HydrophobicContact CE2-CG 3.86Å; Y190-Q194 WeakPolarHBondContact O-CB 3.31Å; Y190-Q194 PolarHBondContact O-N 3.23Å; Y190-Q194 PolarHBondContact OH-NE2 3.39Å; E191-Q194 PolarHBondContact O-N 2.92Å; H192-Q194 PolarHBondContact O-N 3.2Å; Q194-L196 PolarHBondContact O-N 2.97Å; Q194-I197 PolarHBondContact O-N 3.4Å; Q194-N198 CarbonylContact O-C 3.16Å; Q194-N198 WeakPolarHBondContact O-CA 3.26Å; Q194-N198 PolarHBondContact O-N 2.89Å; Q194-H208 PolarHBondContact NE2-CE1 2.86Å; Q194-H208 VanDerWaalsContact NE2-CE1 3.29Å; Q194-H208 PolarHBondContact NE2-ND1 3.04Å
195S93.3Very high91Very high57 Ų5769 Ų6940%0.39935%0.348SS..Hα-helixtrans-61.2-29176.276.20000113.2E191 H192E191-S195 WeakPolarHBondContact O-CB 3.32Å; E191-S195 PolarHBondContact O-N 2.67Å; H192-S195 PolarHBondContact O-N 2.63Å; H192-S195 PolarHBondContact O-OG 3.46Å
196L94.4Very high90.7Very high122 Ų12274 Ų7464%0.63937%0.365SS*.Hα-helixtrans-87.1-43.5179-64.1175.8000112.8H192 A193 Q194H192-L196 WeakPolarHBondContact O-CG 3.24Å; H192-L196 PolarHBondContact O-N 2.92Å; A193-L196 PolarHBondContact O-N 3.46Å; Q194-L196 PolarHBondContact O-N 2.97Å
197I92.8Very high90.4Very high53 Ų5371.7 Ų71.727%0.27235%0.354SS..Hα-helixtrans-85.9-38-172.5-62170.1000111.3A193 Q194 W206 T207 V210 I214A193-I197 WeakPolarHBondContact O-CB 3.37Å; A193-I197 WeakPolarHBondContact O-CG1 3.4Å; A193-I197 PolarHBondContact O-N 3.41Å; Q194-I197 PolarHBondContact O-N 3.4Å; I197-W206 HydrophobicContact CG2-CH2 3.67Å; I197-W206 HydrophobicContact CG2-CZ3 3.76Å; I197-T207 HydrophobicContact CG2-CG2 3.75Å; I197-V210 HydrophobicContact CD1-CG1 3.84Å; I197-I214 HydrophobicContact CD1-CD1 4.37Å
198N91.4Very high90.2Very high7 Ų767 Ų674%0.03733%0.334CS..  trans-13366.4-174.8-170.112.9000111.1Q194 N200 R201 Q202 T207Q194-N198 CarbonylContact O-C 3.16Å; Q194-N198 WeakPolarHBondContact O-CA 3.26Å; Q194-N198 PolarHBondContact O-N 2.89Å; N198-N200 PolarHBondContact O-N 3.11Å; N198-R201 PolarHBondContact O-N 2.92Å; N198-R201 PolarHBondContact OD1-N 2.85Å; N198-Q202 PolarHBondContact ND2-N 2.89Å; N198-Q202 PolarHBondContact ND2-O 3.24Å; N198-Q202 PolarHBondContact OD1-N 3.02Å; N198-T207 HydrophobicContact CB-CG2 4.18Å
199P89.6Confident89.9Confident90 Ų9063.9 Ų63.958%0.58432%0.315SS*.THydrogen-bonded Turntrans-61.4-30.1-176.424.2-34.3000113R201P199-R201 VanDerWaalsContact C-N 3.3Å; P199-R201 PolarHBondContact O-N 3.22Å
200N88Confident89.7Confident122 Ų12265.1 Ų65.165%0.65232%0.322SS*.THydrogen-bonded Turntrans-84.9-0.2179-63.2-30.7000113.5N198 Q202N198-N200 PolarHBondContact O-N 3.11Å; N200-Q202 HydrophobicContact CB-CG 3.93Å; N200-Q202 PolarHBondContact O-N 3Å; N200-Q202 VanDerWaalsContact O-N 3.15Å
201R85.3Confident89.6Confident119 Ų11963.9 Ų63.945%0.44932%0.317SS..  trans48.640-176.9-61.7-68.6179.6147.42.4113.3E191 N198 P199E191-R201 IonicContact OE1-NH1 3.56Å; E191-R201 IonicContact OE2-CZ 2.69Å; E191-R201 IonicContact OE2-NH1 3.78Å; E191-R201 PolarHBondContact OE2-NH1 3.35Å; E191-R201 IonicContact OE2-NH2 3.22Å; E191-R201 PolarHBondContact OE2-NH2 3.03Å; N198-R201 PolarHBondContact O-N 2.92Å; N198-R201 PolarHBondContact OD1-N 2.85Å; P199-R201 VanDerWaalsContact C-N 3.3Å; P199-R201 PolarHBondContact O-N 3.22Å
202Q84.2Confident89.6Confident115 Ų11561.1 Ų61.154%0.53730%0.304SS..  trans-77.2157.7177.7-70.6-178-14.200111.5N198 N200 L204N198-Q202 PolarHBondContact ND2-N 2.89Å; N198-Q202 PolarHBondContact ND2-O 3.24Å; N198-Q202 PolarHBondContact OD1-N 3.02Å; N200-Q202 HydrophobicContact CB-CG 3.93Å; N200-Q202 PolarHBondContact O-N 3Å; N200-Q202 VanDerWaalsContact O-N 3.15Å; Q202-L204 PolarHBondContact O-N 3.33Å
203Y74.8Confident89.5Confident125 Ų12555.5 Ų55.549%0.4928%0.278SS..  trans-69.587.2178.5178-120000112.1Y9 P205 W295Y9-Y203 AromaticContact CD1-CD2 3.74Å; Y9-Y203 HydrophobicContact CD1-CD2 3.74Å; Y9-Y203 HydrophobicContact CD1-CE2 4.02Å; Y9-Y203 HydrophobicContact CD2-CD2 4.4Å; Y9-Y203 HydrophobicContact CD2-CE2 4.48Å; Y9-Y203 AromaticContact CE1-CD2 3.36Å; Y9-Y203 HydrophobicContact CE1-CD2 3.36Å; Y9-Y203 AromaticContact CE1-CE2 3.16Å; Y9-Y203 HydrophobicContact CE1-CE2 3.16Å; Y9-Y203 HydrophobicContact CE2-CD2 4.03Å; Y9-Y203 AromaticContact CE2-CE2 3.69Å; Y9-Y203 HydrophobicContact CE2-CE2 3.69Å; Y9-Y203 HydrophobicContact CG-CD2 4.29Å; Y9-Y203 AromaticContact CZ-CD2 3.55Å; Y9-Y203 AromaticContact CZ-CE2 2.97Å; Y9-Y203 AromaticContact CZ-CZ 3.59Å; Y9-Y203 WeakPolarHBondContact OH-CE2 3.35Å; Y9-Y203 VanDerWaalsContact OH-CZ 3.3Å; Y9-Y203 PolarHBondContact OH-OH 2.62Å; Y203-P205 HydrophobicContact CE1-CG 4.35Å; Y203-P205 HydrophobicContact CE2-CG 3.84Å; Y203-W295 HydrophobicContact CE2-CZ2 4.39Å
204L84.2Confident89.5Confident57 Ų5758.4 Ų58.430%0.29829%0.292SS..  trans-125.693.6176.3-66.4174.3000109.8Q202 W206 T207Q202-L204 PolarHBondContact O-N 3.33Å; L204-W206 HydrophobicContact CD1-CZ2 4.32Å; L204-W206 PolarHBondContact O-N 3.43Å; L204-W206 VanDerWaalsContact O-N 3.11Å; L204-T207 HydrophobicContact CB-CG2 3.47Å; L204-T207 VanDerWaalsContact CB-CG2 3.47Å; L204-T207 HydrophobicContact CD1-CG2 3.84Å; L204-T207 HydrophobicContact CG-CG2 4.33Å; L204-T207 WeakPolarHBondContact O-CB 3.2Å; L204-T207 PolarHBondContact O-N 2.91Å; L204-T207 PolarHBondContact O-OG1 2.85Å
205P83Confident89.7Confident38 Ų3858.3 Ų58.325%0.24729%0.292CS..Hα-helixtrans-47.1-43.1-179.1-3740.5000115.5Y203 T207 H208 V209 W295Y203-P205 HydrophobicContact CE1-CG 4.35Å; Y203-P205 HydrophobicContact CE2-CG 3.84Å; P205-T207 PolarHBondContact O-N 3.48Å; P205-H208 PolarHBondContact O-N 2.84Å; P205-V209 PolarHBondContact O-N 2.79Å; P205-W295 HydrophobicContact CB-CE3 4.44Å; P205-W295 HydrophobicContact CB-CH2 3.33Å; P205-W295 HydrophobicContact CB-CZ2 3.73Å; P205-W295 HydrophobicContact CB-CZ3 3.72Å; P205-W295 HydrophobicContact CG-CH2 3.45Å; P205-W295 VanDerWaalsContact CG-CH2 3.45Å; P205-W295 HydrophobicContact CG-CZ2 3.86Å; P205-W295 HydrophobicContact CG-CZ3 4.26Å
206W88.1Confident89.7Confident143 Ų14355.8 Ų55.854%0.54227%0.274SS..Hα-helixtrans-63.1-28.7-179.270.9-94.7000112.3I197 L204 V209 V210I197-W206 HydrophobicContact CG2-CH2 3.67Å; I197-W206 HydrophobicContact CG2-CZ3 3.76Å; L204-W206 HydrophobicContact CD1-CZ2 4.32Å; L204-W206 PolarHBondContact O-N 3.43Å; L204-W206 VanDerWaalsContact O-N 3.11Å; W206-V209 PolarHBondContact O-N 3.32Å; W206-V210 HydrophobicContact CE3-CG2 4.08Å; W206-V210 WeakPolarHBondContact O-CB 3.17Å; W206-V210 VanDerWaalsContact O-CG2 3.32Å; W206-V210 WeakPolarHBondContact O-CG2 3.16Å; W206-V210 PolarHBondContact O-N 3.27Å
207T90.4Very high89.8Confident0 Ų051.4 Ų51.40%025%0.254CS..Hα-helixtrans-68.2-38.9178.266.50000111.2I197 N198 L204 P205 V210 S211I197-T207 HydrophobicContact CG2-CG2 3.75Å; N198-T207 HydrophobicContact CB-CG2 4.18Å; L204-T207 HydrophobicContact CB-CG2 3.47Å; L204-T207 VanDerWaalsContact CB-CG2 3.47Å; L204-T207 HydrophobicContact CD1-CG2 3.84Å; L204-T207 HydrophobicContact CG-CG2 4.33Å; L204-T207 WeakPolarHBondContact O-CB 3.2Å; L204-T207 PolarHBondContact O-N 2.91Å; L204-T207 PolarHBondContact O-OG1 2.85Å; P205-T207 PolarHBondContact O-N 3.48Å; T207-V210 PolarHBondContact O-N 3.09Å; T207-S211 WeakPolarHBondContact O-CB 3.4Å; T207-S211 PolarHBondContact O-N 3.46Å; T207-S211 PolarHBondContact O-OG 3.48Å
208H88.8Confident89.9Confident26 Ų2654 Ų5412%0.1226%0.263CS..Hα-helixtrans-65.4-40.7174-65.7-84.9000111.5E10 Y190 Q194 P205 S211 G212E10-H208 IonicContact OE1-CE1 2.63Å; Y190-H208 AromaticContact CZ-ND1 3.97Å; Y190-H208 PolarHBondContact OH-CE1 3.29Å; Y190-H208 PolarHBondContact OH-ND1 3.11Å; Q194-H208 PolarHBondContact NE2-CE1 2.86Å; Q194-H208 VanDerWaalsContact NE2-CE1 3.29Å; Q194-H208 PolarHBondContact NE2-ND1 3.04Å; P205-H208 PolarHBondContact O-N 2.84Å; H208-S211 WeakPolarHBondContact CA-OG 3.37Å; H208-S211 PolarHBondContact O-OG 2.95Å; H208-G212 WeakPolarHBondContact O-CA 3.46Å; H208-G212 PolarHBondContact O-N 3.14Å
209V90.6Very high90.2Very high24 Ų2453.6 Ų53.615%0.14526%0.261CS..Hα-helixtrans-63.8-46176.6175.20000111.6P205 W206 G213 V288 A292P205-V209 PolarHBondContact O-N 2.79Å; W206-V209 PolarHBondContact O-N 3.32Å; V209-G213 PolarHBondContact O-N 3.24Å; V209-V288 HydrophobicContact CG1-CG1 4.15Å; V209-A292 HydrophobicContact CG1-CB 3.66Å; V209-A292 HydrophobicContact CG2-CB 4.36Å
210V93.1Very high90.4Very high57 Ų5749.5 Ų49.535%0.34524%0.235SC..Hα-helixtrans-70.6-47.9-179.4173.30000111.4I197 W206 T207 G213 I214I197-V210 HydrophobicContact CD1-CG1 3.84Å; W206-V210 HydrophobicContact CE3-CG2 4.08Å; W206-V210 WeakPolarHBondContact O-CB 3.17Å; W206-V210 VanDerWaalsContact O-CG2 3.32Å; W206-V210 WeakPolarHBondContact O-CG2 3.16Å; W206-V210 PolarHBondContact O-N 3.27Å; T207-V210 PolarHBondContact O-N 3.09Å; V210-G213 PolarHBondContact O-N 2.95Å; V210-I214 HydrophobicContact CG1-CD1 3.87Å; V210-I214 VanDerWaalsContact O-CG1 3.3Å; V210-I214 WeakPolarHBondContact O-CG1 3.18Å; V210-I214 PolarHBondContact O-N 3.46Å
211S93.2Very high90.8Very high0 Ų045.3 Ų45.30%022%0.217CC..Hα-helixtrans-64.1-45.2178.956.50000112Y190 T207 H208 G213 I214 A215Y190-S211 WeakPolarHBondContact CD2-OG 3.34Å; Y190-S211 VanDerWaalsContact CE2-OG 3.23Å; Y190-S211 WeakPolarHBondContact CE2-OG 3.24Å; T207-S211 WeakPolarHBondContact O-CB 3.4Å; T207-S211 PolarHBondContact O-N 3.46Å; T207-S211 PolarHBondContact O-OG 3.48Å; H208-S211 WeakPolarHBondContact CA-OG 3.37Å; H208-S211 PolarHBondContact O-OG 2.95Å; S211-G213 VanDerWaalsContact C-N 3.33Å; S211-G213 PolarHBondContact O-N 2.79Å; S211-I214 PolarHBondContact O-N 3.05Å; S211-A215 VanDerWaalsContact O-CB 3.27Å; S211-A215 WeakPolarHBondContact O-CB 3.46Å; S211-A215 PolarHBondContact O-N 3.19Å
212G92.9Very high91.2Very high2 Ų246.4 Ų46.42%0.02123%0.225CC..Hα-helixtrans-64-37.5174.700000112.3H208 A215 G216H208-G212 WeakPolarHBondContact O-CA 3.46Å; H208-G212 PolarHBondContact O-N 3.14Å; G212-A215 PolarHBondContact O-N 2.69Å; G212-G216 PolarHBondContact O-N 3.22Å
213G94.2Very high91.8Very high0 Ų041 Ų410%020%0.2CC..Hα-helixtrans-64.8-45.3173.800000113.2V209 V210 S211 G216 C217 A287V209-G213 PolarHBondContact O-N 3.24Å; V210-G213 PolarHBondContact O-N 2.95Å; S211-G213 VanDerWaalsContact C-N 3.33Å; S211-G213 PolarHBondContact O-N 2.79Å; G213-G216 PolarHBondContact O-N 3.08Å; G213-C217 PolarHBondContact O-N 3.49Å; G213-C217 PolarHBondContact O-SG 3.38Å; G213-A287 WeakPolarHBondContact O-CB 3.41Å
214I94.8Very high92.7Very high68 Ų6835.1 Ų35.135%0.34918%0.177SC..Hα-helixtrans-61.4-47.7175-69.3166.8000110.2I197 V210 S211 G216 C217 F218I197-I214 HydrophobicContact CD1-CD1 4.37Å; V210-I214 HydrophobicContact CG1-CD1 3.87Å; V210-I214 VanDerWaalsContact O-CG1 3.3Å; V210-I214 WeakPolarHBondContact O-CG1 3.18Å; V210-I214 PolarHBondContact O-N 3.46Å; S211-I214 PolarHBondContact O-N 3.05Å; I214-G216 VanDerWaalsContact C-N 3.35Å; I214-G216 PolarHBondContact O-N 2.99Å; I214-C217 WeakPolarHBondContact O-CB 3.37Å; I214-C217 PolarHBondContact O-N 3.09Å; I214-F218 HydrophobicContact CG2-CD2 3.94Å; I214-F218 HydrophobicContact CG2-CE2 3.8Å; I214-F218 VanDerWaalsContact O-CD2 3.29Å; I214-F218 WeakPolarHBondContact O-CD2 3.17Å; I214-F218 PolarHBondContact O-N 3.19Å; I214-F218 VanDerWaalsContact O-N 3.15Å
215A96.1Very high93.3Very high0 Ų034.8 Ų34.80%018%0.179CC..Hα-helixtrans-58.7-45.7176.900000112.4H186 C189 S211 G212 C217 F218 A219H186-A215 VanDerWaalsContact O-CB 3.32Å; H186-A215 WeakPolarHBondContact O-CB 3.39Å; C189-A215 HydrophobicContact CB-CB 3.87Å; S211-A215 VanDerWaalsContact O-CB 3.27Å; S211-A215 WeakPolarHBondContact O-CB 3.46Å; S211-A215 PolarHBondContact O-N 3.19Å; G212-A215 PolarHBondContact O-N 2.69Å; A215-C217 VanDerWaalsContact C-N 3.33Å; A215-C217 PolarHBondContact O-N 3.45Å; A215-F218 PolarHBondContact O-N 2.8Å; A215-A219 WeakPolarHBondContact O-CB 3.38Å; A215-A219 PolarHBondContact O-N 3.26Å
216G94.8Very high93.8Very high3 Ų334.9 Ų34.93%0.03118%0.177CC..Hα-helixtrans-58.7-41174.600000112.5G212 G213 I214 A220G212-G216 PolarHBondContact O-N 3.22Å; G213-G216 PolarHBondContact O-N 3.08Å; I214-G216 VanDerWaalsContact C-N 3.35Å; I214-G216 PolarHBondContact O-N 2.99Å; G216-A220 WeakPolarHBondContact O-CB 3.5Å; G216-A220 PolarHBondContact O-N 3.03Å
217C95.6Very high94.2Very high31 Ų3128.4 Ų28.421%0.20915%0.153CC..Hα-helixtrans-60.3-48.5175.2-72.40000112.3G213 I214 A215 A221 I284G213-C217 PolarHBondContact O-N 3.49Å; G213-C217 PolarHBondContact O-SG 3.38Å; I214-C217 WeakPolarHBondContact O-CB 3.37Å; I214-C217 PolarHBondContact O-N 3.09Å; A215-C217 VanDerWaalsContact C-N 3.33Å; A215-C217 PolarHBondContact O-N 3.45Å; C217-A221 WeakPolarHBondContact O-CB 3.42Å; C217-A221 PolarHBondContact O-N 3.4Å; C217-I284 HydrophobicContact CB-CG2 4.46Å; C217-I284 PolarHBondContact SG-O 2.82Å
218F95.8Very high94.4Very high106 Ų10628.4 Ų28.447%0.46515%0.153SC..Hα-helixtrans-65-51.4178.2-78.9-75.5000111.3I185 I214 A215 A220 A221 F222I185-F218 HydrophobicContact CG2-CB 4.22Å; I214-F218 HydrophobicContact CG2-CD2 3.94Å; I214-F218 HydrophobicContact CG2-CE2 3.8Å; I214-F218 VanDerWaalsContact O-CD2 3.29Å; I214-F218 WeakPolarHBondContact O-CD2 3.17Å; I214-F218 PolarHBondContact O-N 3.19Å; I214-F218 VanDerWaalsContact O-N 3.15Å; A215-F218 PolarHBondContact O-N 2.8Å; F218-A220 VanDerWaalsContact C-N 3.27Å; F218-A220 PolarHBondContact O-N 2.88Å; F218-A221 PolarHBondContact O-N 3.34Å; F218-A221 VanDerWaalsContact O-N 3.14Å; F218-F222 HydrophobicContact CD1-CE2 4.36Å; F218-F222 VanDerWaalsContact O-CD2 3.29Å; F218-F222 WeakPolarHBondContact O-CD2 3.39Å; F218-F222 PolarHBondContact O-N 2.97Å
219A96.2Very high94.6Very high0 Ų027.3 Ų27.30%015%0.148CC..Hα-helixtrans-57.4-41.6178.600000111.8Y182 I185 H186 A215 T223Y182-A219 HydrophobicContact CD2-CB 3.67Å; Y182-A219 HydrophobicContact CE2-CB 3.67Å; Y182-A219 HydrophobicContact CG-CB 4.23Å; I185-A219 HydrophobicContact CB-CB 4.21Å; I185-A219 HydrophobicContact CG2-CB 4.06Å; H186-A219 HydrophobicContact CB-CB 3.95Å; A215-A219 WeakPolarHBondContact O-CB 3.38Å; A215-A219 PolarHBondContact O-N 3.26Å; A219-T223 WeakPolarHBondContact O-CB 3.16Å; A219-T223 WeakPolarHBondContact O-CG2 3.32Å; A219-T223 PolarHBondContact O-N 3.5Å; A219-T223 PolarHBondContact O-OG1 3.19Å
220A94.8Very high94.8Very high3 Ų327 Ų273%0.02514%0.144CC..Hα-helixtrans-63-46.6175.100000112.9G216 F218 T223 N224 R283G216-A220 WeakPolarHBondContact O-CB 3.5Å; G216-A220 PolarHBondContact O-N 3.03Å; F218-A220 VanDerWaalsContact C-N 3.27Å; F218-A220 PolarHBondContact O-N 2.88Å; A220-T223 PolarHBondContact O-N 3.33Å; A220-N224 WeakPolarHBondContact O-CB 3.46Å; A220-N224 PolarHBondContact O-N 3.22Å; A220-R283 HydrophobicContact CB-CB 3.62Å
221A95.2Very high94.8Very high34 Ų3424.2 Ų24.228%0.28113%0.128SC..Hα-helixtrans-61.7-46.8-179.600000111.5C217 F218 N224 I280C217-A221 WeakPolarHBondContact O-CB 3.42Å; C217-A221 PolarHBondContact O-N 3.4Å; F218-A221 PolarHBondContact O-N 3.34Å; F218-A221 VanDerWaalsContact O-N 3.14Å; A221-N224 PolarHBondContact O-N 2.81Å; A221-I280 HydrophobicContact CB-CD1 4.16Å
222F94.7Very high94.7Very high142 Ų14224.7 Ų24.762%0.62313%0.13SC*.Hα-helixtrans-67.5-37.4-179.8-84.6-78.5000113.2I185 F218I185-F222 HydrophobicContact CD1-CB 3.51Å; I185-F222 HydrophobicContact CD1-CD2 4.23Å; I185-F222 HydrophobicContact CD1-CG 3.86Å; I185-F222 HydrophobicContact CG2-CD2 4.38Å; F218-F222 HydrophobicContact CD1-CE2 4.36Å; F218-F222 VanDerWaalsContact O-CD2 3.29Å; F218-F222 WeakPolarHBondContact O-CD2 3.39Å; F218-F222 PolarHBondContact O-N 2.97Å
223T95.6Very high94.7Very high2 Ų224.6 Ų24.61%0.01213%0.129CC..Hα-helixtrans-93.73.9-178.663.30000113.9P181 A219 A220 P225 L226 D227 R283P181-T223 HydrophobicContact CB-CG2 4.02Å; A219-T223 WeakPolarHBondContact O-CB 3.16Å; A219-T223 WeakPolarHBondContact O-CG2 3.32Å; A219-T223 PolarHBondContact O-N 3.5Å; A219-T223 PolarHBondContact O-OG1 3.19Å; A220-T223 PolarHBondContact O-N 3.33Å; T223-P225 VanDerWaalsContact C-CD 3.49Å; T223-L226 PolarHBondContact O-N 3.29Å; T223-D227 PolarHBondContact O-N 3.02Å; T223-D227 VanDerWaalsContact O-N 3.11Å; T223-R283 PolarHBondContact O-NH1 3.15Å; T223-R283 PolarHBondContact OG1-NH1 2.67Å; T223-R283 PolarHBondContact OG1-NH2 3.17Å
224N95.6Very high94.6Very high1 Ų124.8 Ų24.81%0.00513%0.13CC..Hα-helixtrans-57.2-42.8178.9-163.175.2000113.5A220 A221 L226 D227 V228 F276 R278 I280 R283A220-N224 WeakPolarHBondContact O-CB 3.46Å; A220-N224 PolarHBondContact O-N 3.22Å; A221-N224 PolarHBondContact O-N 2.81Å; N224-L226 VanDerWaalsContact C-N 3.29Å; N224-L226 PolarHBondContact O-N 3.2Å; N224-D227 PolarHBondContact O-N 2.91Å; N224-V228 WeakPolarHBondContact O-CG2 3.42Å; N224-V228 PolarHBondContact O-N 2.94Å; N224-F276 PolarHBondContact ND2-O 3.44Å; N224-R278 PolarHBondContact ND2-O 3.38Å; N224-I280 HydrophobicContact CB-CG1 4.4Å; N224-I280 WeakPolarHBondContact OD1-CA 3.11Å; N224-I280 PolarHBondContact OD1-N 3.36Å; N224-R283 VanDerWaalsContact OD1-CD 3.28Å; N224-R283 WeakPolarHBondContact OD1-CD 3.32Å
225P95.4Very high94.3Very high51 Ų5122.4 Ų22.433%0.33112%0.119SC..Hα-helixtrans-59-38.1178.3-26.336.4000113.6T223 C229 F276T223-P225 VanDerWaalsContact C-CD 3.49Å; P225-C229 PolarHBondContact O-N 2.86Å; P225-C229 PolarHBondContact O-SG 2.72Å; P225-F276 HydrophobicContact CB-CB 3.96Å; P225-F276 HydrophobicContact CB-CD1 3.82Å; P225-F276 HydrophobicContact CB-CG 4.23Å; P225-F276 HydrophobicContact CG-CB 4.14Å
226L94.8Very high93.6Very high39 Ų3923.5 Ų23.520%0.20412%0.124CC..Hα-helixtrans-71.5-38.2178.5-65.4175.7000111.5T174 S177 M178 T223 N224 C229 K230 L260T174-L226 WeakPolarHBondContact CG2-O 3.43Å; S177-L226 WeakPolarHBondContact O-CD1 3.48Å; M178-L226 HydrophobicContact CB-CB 3.88Å; M178-L226 HydrophobicContact CB-CD1 4.16Å; M178-L226 HydrophobicContact CG-CB 3.9Å; T223-L226 PolarHBondContact O-N 3.29Å; N224-L226 VanDerWaalsContact C-N 3.29Å; N224-L226 PolarHBondContact O-N 3.2Å; L226-C229 CarbonylContact O-C 3.6Å; L226-C229 WeakPolarHBondContact O-CB 3.31Å; L226-C229 PolarHBondContact O-N 3.01Å; L226-K230 PolarHBondContact O-N 3.23Å; L226-L260 HydrophobicContact CD2-CD1 3.8Å; L226-L260 HydrophobicContact CD2-CD2 3.75Å; L226-L260 HydrophobicContact CD2-CG 4.41Å
227D94.7Very high92.2Very high8 Ų824.9 Ų24.94%0.04313%0.131CC..Hα-helixtrans-67.4-39.9176.4-170.844.1000111.9Q47 M178 T223 N224 C229 K230 T231 R283Q47-D227 PolarHBondContact NE2-OD2 3.34Å; M178-D227 HydrophobicContact SD-CB 3.62Å; T223-D227 PolarHBondContact O-N 3.02Å; T223-D227 VanDerWaalsContact O-N 3.11Å; N224-D227 PolarHBondContact O-N 2.91Å; D227-C229 VanDerWaalsContact C-N 3.27Å; D227-C229 PolarHBondContact O-N 3.18Å; D227-K230 WeakPolarHBondContact O-CB 3.24Å; D227-K230 PolarHBondContact O-N 2.86Å; D227-T231 WeakPolarHBondContact O-CB 3.41Å; D227-T231 PolarHBondContact O-N 3.23Å; D227-T231 PolarHBondContact O-OG1 3.34Å; D227-R283 WeakPolarHBondContact OD2-CD 3.38Å; D227-R283 IonicContact OD2-CZ 3.85Å; D227-R283 IonicContact OD2-NE 3.59Å; D227-R283 IonicContact OD2-NH1 3.68Å; D227-R283 PolarHBondContact OD2-NH1 2.74Å
228V94.8Very high90.3Very high0 Ų027.5 Ų27.50%014%0.136CC..Hα-helixtrans-56.1-45.8169.7172.10000110.1Q47 N224 T231 L232 V267 R278Q47-V228 HydrophobicContact CG-CG2 4.16Å; N224-V228 WeakPolarHBondContact O-CG2 3.42Å; N224-V228 PolarHBondContact O-N 2.94Å; V228-T231 PolarHBondContact O-N 2.88Å; V228-L232 HydrophobicContact CG1-CD1 3.8Å; V228-L232 HydrophobicContact CG1-CG 4.41Å; V228-L232 WeakPolarHBondContact O-CB 3.27Å; V228-L232 WeakPolarHBondContact O-CG 3.46Å; V228-L232 PolarHBondContact O-N 3.38Å; V228-V267 HydrophobicContact CG1-CG2 4.24Å; V228-R278 WeakPolarHBondContact CG2-O 3.4Å
229C94.3Very high87.8Confident2 Ų223.6 Ų23.61%0.01412%0.122CC..Hα-helixtrans-65.5-41.1178.2-65.70000112.8T174 P225 L226 D227 L233 L260 T263T174-C229 HydrophobicContact CG2-CB 4.12Å; P225-C229 PolarHBondContact O-N 2.86Å; P225-C229 PolarHBondContact O-SG 2.72Å; L226-C229 CarbonylContact O-C 3.6Å; L226-C229 WeakPolarHBondContact O-CB 3.31Å; L226-C229 PolarHBondContact O-N 3.01Å; D227-C229 VanDerWaalsContact C-N 3.27Å; D227-C229 PolarHBondContact O-N 3.18Å; C229-L233 WeakPolarHBondContact O-CB 3.31Å; C229-L233 WeakPolarHBondContact O-CD1 3.26Å; C229-L233 VanDerWaalsContact O-CG 3.3Å; C229-L233 WeakPolarHBondContact O-CG 3.31Å; C229-L233 PolarHBondContact O-N 3.05Å; C229-L260 HydrophobicContact CB-CD1 3.59Å; C229-T263 HydrophobicContact CB-CG2 3.91Å
230K93.9Very high85.4Confident17 Ų1726.1 Ų26.17%0.07414%0.137CC..Hα-helixtrans-57.6-55.2174.7179-162.4176172.20110.1D136 A171 T174 M178 L226 D227 L232 L233 N234D136-K230 IonicContact OD2-NZ 3.86Å; D136-K230 PolarHBondContact OD2-NZ 3.49Å; A171-K230 HydrophobicContact CB-CG 4.13Å; T174-K230 HydrophobicContact CG2-CB 4.03Å; M178-K230 HydrophobicContact CE-CD 4.14Å; L226-K230 PolarHBondContact O-N 3.23Å; D227-K230 WeakPolarHBondContact O-CB 3.24Å; D227-K230 PolarHBondContact O-N 2.86Å; K230-L232 VanDerWaalsContact C-N 3.32Å; K230-L232 PolarHBondContact O-N 3.43Å; K230-L233 PolarHBondContact O-N 2.93Å; K230-L233 VanDerWaalsContact O-N 3.15Å; K230-N234 PolarHBondContact O-N 3.28Å; K230-N234 VanDerWaalsContact O-N 3.09Å
231T93Very high83Confident0 Ų030.6 Ų30.60%016%0.158CC..Hα-helixtrans-60.3-42.5-177.6-640000111.2T44 Q47 Q140 D227 V228 L233 N234 T235T44-T231 HydrophobicContact CG2-CG2 3.95Å; Q47-T231 HydrophobicContact CB-CG2 3.88Å; Q47-T231 VanDerWaalsContact OE1-CB 3.28Å; Q47-T231 PolarHBondContact OE1-OG1 2.91Å; Q140-T231 PolarHBondContact NE2-OG1 2.9Å; Q140-T231 VanDerWaalsContact NE2-OG1 3.13Å; D227-T231 WeakPolarHBondContact O-CB 3.41Å; D227-T231 PolarHBondContact O-N 3.23Å; D227-T231 PolarHBondContact O-OG1 3.34Å; V228-T231 PolarHBondContact O-N 2.88Å; T231-L233 PolarHBondContact O-N 3.5Å; T231-N234 PolarHBondContact O-N 3.45Å; T231-T235 HydrophobicContact CG2-CG2 4.13Å; T231-T235 VanDerWaalsContact O-CB 3.31Å; T231-T235 WeakPolarHBondContact O-CB 3.16Å; T231-T235 VanDerWaalsContact O-CG2 3.26Å; T231-T235 WeakPolarHBondContact O-CG2 3.35Å; T231-T235 PolarHBondContact O-N 3.14Å; T231-T235 PolarHBondContact O-OG1 3.42Å
232L92.2Very high80.2Confident10 Ų1036.6 Ų36.65%0.05218%0.177CC..Hα-helixtrans-66-36.8176.8-71.5172.6000113.2L49 V228 K230 N234 Q236 F257 T263 V267L49-L232 HydrophobicContact CB-CD2 4.25Å; L49-L232 HydrophobicContact CD1-CD1 3.56Å; L49-L232 HydrophobicContact CD1-CD2 4.32Å; L49-L232 HydrophobicContact CG-CD1 3.82Å; L49-L232 HydrophobicContact CG-CD2 3.92Å; L49-L232 HydrophobicContact CG-CG 4.5Å; V228-L232 HydrophobicContact CG1-CD1 3.8Å; V228-L232 HydrophobicContact CG1-CG 4.41Å; V228-L232 WeakPolarHBondContact O-CB 3.27Å; V228-L232 WeakPolarHBondContact O-CG 3.46Å; V228-L232 PolarHBondContact O-N 3.38Å; K230-L232 VanDerWaalsContact C-N 3.32Å; K230-L232 PolarHBondContact O-N 3.43Å; L232-N234 VanDerWaalsContact C-N 3.34Å; L232-Q236 WeakPolarHBondContact O-CG 3.5Å; L232-Q236 PolarHBondContact O-N 3.11Å; L232-F257 HydrophobicContact CB-CE2 4.18Å; L232-F257 HydrophobicContact CB-CZ 4.01Å; L232-T263 HydrophobicContact CB-CG2 3.79Å; L232-T263 HydrophobicContact CD1-CG2 4.07Å; L232-V267 HydrophobicContact CD1-CG2 3.39Å
233L92Very high77.5Confident0 Ų036.5 Ų36.50%018%0.183CC..Hα-helixtrans-64.9-39.2176.3-79.4163.1000112.1R170 A171 T174 C229 K230 T231 F257 T263R170-L233 HydrophobicContact CB-CD2 4.49Å; A171-L233 HydrophobicContact CB-CB 3.96Å; A171-L233 HydrophobicContact CB-CD1 4.44Å; T174-L233 HydrophobicContact CG2-CD1 4.5Å; T174-L233 VanDerWaalsContact OG1-CD1 3.25Å; T174-L233 WeakPolarHBondContact OG1-CD1 3.28Å; C229-L233 WeakPolarHBondContact O-CB 3.31Å; C229-L233 WeakPolarHBondContact O-CD1 3.26Å; C229-L233 VanDerWaalsContact O-CG 3.3Å; C229-L233 WeakPolarHBondContact O-CG 3.31Å; C229-L233 PolarHBondContact O-N 3.05Å; K230-L233 PolarHBondContact O-N 2.93Å; K230-L233 VanDerWaalsContact O-N 3.15Å; T231-L233 PolarHBondContact O-N 3.5Å; L233-F257 HydrophobicContact CD2-CD2 4.05Å; L233-F257 HydrophobicContact CD2-CE2 4.15Å; L233-F257 HydrophobicContact CG-CE2 4.39Å; L233-T263 VanDerWaalsContact CD2-OG1 3.23Å; L233-T263 WeakPolarHBondContact CD2-OG1 3.49Å; L233-T263 HydrophobicContact CG-CG2 4.46Å; L233-T263 WeakPolarHBondContact CG-OG1 3.1Å
234N91.7Very high75Confident4 Ų442 Ų422%0.02121%0.212CC..Hα-helixtrans-78.3-33.5-178.8-77.3-19000112.9A137 Q140 R141 A171 K230 T231 L232A137-N234 HydrophobicContact CB-CB 4.44Å; Q140-N234 HydrophobicContact CB-CB 4.31Å; Q140-N234 PolarHBondContact OE1-ND2 3.47Å; R141-N234 WeakPolarHBondContact CG-O 3.48Å; R141-N234 PolarHBondContact NE-O 3.34Å; A171-N234 WeakPolarHBondContact CB-OD1 3.49Å; K230-N234 PolarHBondContact O-N 3.28Å; K230-N234 VanDerWaalsContact O-N 3.09Å; T231-N234 PolarHBondContact O-N 3.45Å; L232-N234 VanDerWaalsContact C-N 3.34Å
235T89.1Confident72.3Confident17 Ų1747 Ų4710%0.10425%0.245CC..  trans-89.910.1-177.6580000114.5T44 Q140 L144 T231 D237T44-T235 HydrophobicContact CG2-CG2 4.04Å; Q140-T235 HydrophobicContact CB-CG2 3.97Å; L144-T235 HydrophobicContact CD1-CG2 4.14Å; L144-T235 HydrophobicContact CD2-CG2 3.71Å; L144-T235 HydrophobicContact CG-CG2 4.03Å; T231-T235 HydrophobicContact CG2-CG2 4.13Å; T231-T235 VanDerWaalsContact O-CB 3.31Å; T231-T235 WeakPolarHBondContact O-CB 3.16Å; T231-T235 VanDerWaalsContact O-CG2 3.26Å; T231-T235 WeakPolarHBondContact O-CG2 3.35Å; T231-T235 PolarHBondContact O-N 3.14Å; T231-T235 PolarHBondContact O-OG1 3.42Å; T235-D237 VanDerWaalsContact C-N 3.29Å; T235-D237 PolarHBondContact O-N 3.37Å
236Q82Confident69.9Low23 Ų2354.8 Ų54.811%0.10727%0.274CS..  trans-64.587.3169.8-63-173.3-39.100110.4R141 L232 R238 F257R141-Q236 PolarHBondContact NH2-O 3.02Å; L232-Q236 WeakPolarHBondContact O-CG 3.5Å; L232-Q236 PolarHBondContact O-N 3.11Å; Q236-R238 PolarHBondContact O-N 2.87Å; Q236-F257 HydrophobicContact CG-CE1 4.48Å; Q236-F257 HydrophobicContact CG-CE2 4.04Å; Q236-F257 HydrophobicContact CG-CZ 3.83Å; Q236-F257 VanDerWaalsContact NE2-CG 3.33Å; Q236-F257 PolarHBondContact NE2-O 3.42Å
237D64.7Low67.4Low33 Ų3356.2 Ų56.218%0.17630%0.298CS..  trans-81.5114.9174.9-90.3-31.5000110.7R141 L144 Y149 T235 C239 V240R141-D237 IonicContact NH1-OD1 3.38Å; L144-D237 WeakPolarHBondContact CD1-OD2 3.34Å; Y149-D237 PolarHBondContact OH-OD1 3.06Å; Y149-D237 VanDerWaalsContact OH-OD1 3.06Å; T235-D237 VanDerWaalsContact C-N 3.29Å; T235-D237 PolarHBondContact O-N 3.37Å; D237-C239 VanDerWaalsContact C-N 3.35Å; D237-V240 HydrophobicContact CB-CG2 3.93Å
238R54.7Low64.3Low85 Ų8565 Ų6532%0.32134%0.338SS..SBendtrans-80.8-21.2166.3-60.7-172.5-177.3-174.10.9112.2E163 Q236 S253E163-R238 HydrophobicContact CG-CB 4.27Å; E163-R238 HydrophobicContact CG-CG 4.36Å; Q236-R238 PolarHBondContact O-N 2.87Å; R238-S253 PolarHBondContact NH1-O 3.47Å; R238-S253 VanDerWaalsContact NH1-O 3.17Å
239C44.6Very low61.7Low25 Ų2570.6 Ų70.617%0.16936%0.363CS..SBendtrans-74.5-34.8-171.5-166.10000113D237 Q241 K242D237-C239 VanDerWaalsContact C-N 3.35Å; C239-Q241 PolarHBondContact O-N 3.42Å; C239-K242 PolarHBondContact O-N 3.27Å; C239-K242 VanDerWaalsContact O-N 3.11Å
240V45.4Very low59.1Low52 Ų5276.5 Ų76.532%0.31540%0.399SS..G310 helixtrans-62.7-30.6-176.8175.30000112.4P148 D237 K242 I244P148-V240 HydrophobicContact CG-CG2 4.22Å; D237-V240 HydrophobicContact CB-CG2 3.93Å; V240-K242 VanDerWaalsContact C-N 3.25Å; V240-K242 PolarHBondContact O-N 2.86Å; V240-I244 HydrophobicContact CG1-CD1 4.31Å
241Q44.6Very low56.7Low98 Ų9882.7 Ų82.746%0.45843%0.428SS..G310 helixtrans-74.6-8.8178.9-109.4163.69.100114.9C239 F249C239-Q241 PolarHBondContact O-N 3.42Å; Q241-F249 HydrophobicContact CB-CE1 4.28Å; Q241-F249 HydrophobicContact CG-CD1 3.99Å; Q241-F249 HydrophobicContact CG-CE1 3.41Å; Q241-F249 VanDerWaalsContact CG-CE1 3.41Å; Q241-F249 HydrophobicContact CG-CZ 3.78Å; Q241-F249 VanDerWaalsContact NE2-CE1 3.31Å
242K36.9Very low54.2Low160 Ų16086.7 Ų86.770%0.69646%0.457SS*.G310 helixtrans-82.2-24177.3-94.2-174.9173.1-178.80114.1C239 V240C239-K242 PolarHBondContact O-N 3.27Å; C239-K242 VanDerWaalsContact O-N 3.11Å; V240-K242 VanDerWaalsContact C-N 3.25Å; V240-K242 PolarHBondContact O-N 2.86Å
243N37.8Very low52.2Low139 Ų13989.7 Ų89.774%0.74348%0.479SS*.THydrogen-bonded Turntrans-112.9-7.6-167.3-70.7-8.3000115.1
244I42.9Very low50.3Low119 Ų11997.5 Ų97.561%0.6151%0.512SS*.SBendtrans-104.1107.9176.7-54.8177.5000108.7V240V240-I244 HydrophobicContact CG1-CD1 4.31Å
245C39.8Very low48.8Very low104 Ų10499 Ų9970%0.70352%0.522SS*.  trans87.796168.6-1100000118.2G247C245-G247 PolarHBondContact O-N 3.17Å
246F45Very low47.7Very low215 Ų215102.8 Ų102.894%0.94354%0.539SS*.SBendtrans-30.5114.1131.9-80.1-98.7000111.1
247G40.6Very low47.4Very low69 Ų69102.4 Ų102.471%0.71154%0.537SS*.SBendtrans140.6-51.8154.200000116.6C245C245-G247 PolarHBondContact O-N 3.17Å
248H30.7Very low48.2Very low192 Ų192109.7 Ų109.789%0.88956%0.562SS**  trans-164.4103.3-176.5-113.5-92.2000110.7
249F40.3Very low49.8Very low119 Ų119107.1 Ų107.152%0.52256%0.562SS.*  trans-149.2122.4170.8-165.4-95.6000112.3Q241 Q251Q241-F249 HydrophobicContact CB-CE1 4.28Å; Q241-F249 HydrophobicContact CG-CD1 3.99Å; Q241-F249 HydrophobicContact CG-CE1 3.41Å; Q241-F249 VanDerWaalsContact CG-CE1 3.41Å; Q241-F249 HydrophobicContact CG-CZ 3.78Å; Q241-F249 VanDerWaalsContact NE2-CE1 3.31Å; F249-Q251 PolarHBondContact O-N 2.73Å
250T39.3Very low52.1Low126 Ų126107.7 Ų107.777%0.77356%0.563SS**  trans-74.5102.4177.751.50000110S252T250-S252 PolarHBondContact O-N 2.94Å
251Q42.3Very low54.4Low146 Ų146113.3 Ų113.368%0.68258%0.584SS**  trans-62.299.2174.2-173.7179.88.600110.7F249 S253F249-Q251 PolarHBondContact O-N 2.73Å; Q251-S253 PolarHBondContact O-N 3.44Å
252S42.4Very low56.6Low85 Ų85109.8 Ų109.859%0.59457%0.574SS**  trans-81.796.6159.8-170.50000108.3T250 K254T250-S252 PolarHBondContact O-N 2.94Å; S252-K254 PolarHBondContact O-N 3.47Å; S252-K254 VanDerWaalsContact O-N 3.13Å
253S50.2Low59.2Low73 Ų73102.1 Ų102.151%0.5154%0.541SS..  trans-65.6-6.9175.5-61.70000113.7R238 Q251R238-S253 PolarHBondContact NH1-O 3.47Å; R238-S253 VanDerWaalsContact NH1-O 3.17Å; Q251-S253 PolarHBondContact O-N 3.44Å
254K52.1Low61.9Low163 Ų16396.7 Ų96.771%0.70952%0.515SS*.SBendtrans-93145.1-176.9-70.1-176.8-178.5175.80110.5S252 E256S252-K254 PolarHBondContact O-N 3.47Å; S252-K254 VanDerWaalsContact O-N 3.13Å; K254-E256 PolarHBondContact O-N 3.26Å
255P58.7Low64.3Low35 Ų3596 Ų9623%0.22751%0.511CS..  trans-58.7135.9172.427.2-28.7000108.8F257 R258P255-F257 PolarHBondContact O-N 2.9Å; P255-R258 HydrophobicContact CB-CG 4.16Å; P255-R258 HydrophobicContact CG-CG 3.62Å
256E65.6Low66.7Low97 Ų9792.1 Ų92.145%0.45348%0.481SS..SBendtrans-60.2-30-177.2-166.5168.8-173.700111.6R50 K254 Y266R50-E256 IonicContact CZ-OE1 3.01Å; R50-E256 IonicContact CZ-OE2 2.67Å; R50-E256 VanDerWaalsContact NH1-CD 3.29Å; R50-E256 IonicContact NH1-OE1 3.61Å; R50-E256 PolarHBondContact NH1-OE1 2.99Å; R50-E256 IonicContact NH1-OE2 3.8Å; R50-E256 PolarHBondContact NH1-OE2 3.43Å; R50-E256 IonicContact NH2-OE1 2.67Å; R50-E256 PolarHBondContact NH2-OE1 3.48Å; R50-E256 IonicContact NH2-OE2 3.97Å; K254-E256 PolarHBondContact O-N 3.26Å; E256-Y266 VanDerWaalsContact CD-CE2 3.45Å; E256-Y266 VanDerWaalsContact CD-OH 3.24Å; E256-Y266 HydrophobicContact CG-CD2 4.3Å; E256-Y266 HydrophobicContact CG-CE2 3.8Å; E256-Y266 WeakPolarHBondContact OE1-CE2 3.35Å; E256-Y266 VanDerWaalsContact OE1-CZ 3.24Å; E256-Y266 PolarHBondContact OE1-OH 3.49Å; E256-Y266 PolarHBondContact OE2-OH 3.43Å
257F76.7Confident68.9Low16 Ų1681.9 Ų81.97%0.0744%0.436CS..  trans-157.5157.4174.745.8-89.9000110.4L232 L233 Q236 P255 T263 Y266L232-F257 HydrophobicContact CB-CE2 4.18Å; L232-F257 HydrophobicContact CB-CZ 4.01Å; L233-F257 HydrophobicContact CD2-CD2 4.05Å; L233-F257 HydrophobicContact CD2-CE2 4.15Å; L233-F257 HydrophobicContact CG-CE2 4.39Å; Q236-F257 HydrophobicContact CG-CE1 4.48Å; Q236-F257 HydrophobicContact CG-CE2 4.04Å; Q236-F257 HydrophobicContact CG-CZ 3.83Å; Q236-F257 VanDerWaalsContact NE2-CG 3.33Å; Q236-F257 PolarHBondContact NE2-O 3.42Å; P255-F257 PolarHBondContact O-N 2.9Å; F257-T263 HydrophobicContact CD2-CG2 3.85Å; F257-T263 WeakPolarHBondContact CD2-OG1 3.26Å; F257-T263 HydrophobicContact CE2-CG2 3.53Å; F257-T263 WeakPolarHBondContact CE2-OG1 3.49Å; F257-T263 HydrophobicContact CZ-CG2 4.26Å; F257-Y266 AromaticContact CD1-CD1 3.63Å; F257-Y266 HydrophobicContact CD1-CD1 3.63Å; F257-Y266 AromaticContact CD1-CD2 3.86Å; F257-Y266 HydrophobicContact CD1-CD2 3.86Å; F257-Y266 HydrophobicContact CD1-CE1 4.09Å; F257-Y266 HydrophobicContact CD1-CE2 4.3Å; F257-Y266 AromaticContact CD1-CG 3.48Å; F257-Y266 HydrophobicContact CD1-CG 3.48Å; F257-Y266 VanDerWaalsContact CD1-CG 3.48Å; F257-Y266 AromaticContact CE1-CD1 3.39Å; F257-Y266 HydrophobicContact CE1-CD1 3.39Å; F257-Y266 HydrophobicContact CE1-CD2 4.27Å; F257-Y266 AromaticContact CE1-CE1 3.52Å; F257-Y266 HydrophobicContact CE1-CE1 3.52Å; F257-Y266 HydrophobicContact CE1-CE2 4.38Å; F257-Y266 AromaticContact CE1-CG 3.78Å; F257-Y266 HydrophobicContact CE1-CG 3.78Å; F257-Y266 HydrophobicContact CG-CG 4.28Å; F257-Y266 HydrophobicContact CZ-CD1 4.09Å; F257-Y266 HydrophobicContact CZ-CE1 4.3Å
258R81.3Confident71.4Confident185 Ų18585.3 Ų85.370%0.69843%0.429SS*.  trans-132.2141.1176.1-63.3-177.9771762.2110.7P255P255-R258 HydrophobicContact CB-CG 4.16Å; P255-R258 HydrophobicContact CG-CG 3.62Å
259G88.6Confident74.3Confident32 Ų3282.4 Ų82.433%0.3342%0.416SS..Hα-helixtrans68.2171.117700000113.4F261 G262 T263G259-F261 PolarHBondContact O-N 3.41Å; G259-G262 PolarHBondContact O-N 2.63Å; G259-T263 PolarHBondContact O-N 2.88Å; G259-T263 VanDerWaalsContact O-N 3.1Å; G259-T263 PolarHBondContact O-OG1 2.83Å
260L92.2Very high76.4Confident37 Ų3781 Ų8119%0.19441%0.412CS..Hα-helixtrans-56.7-50-176.3175.453.7000112.7T174 L226 C229 G262 T263 A264T174-L260 HydrophobicContact CG2-CD1 3.9Å; L226-L260 HydrophobicContact CD2-CD1 3.8Å; L226-L260 HydrophobicContact CD2-CD2 3.75Å; L226-L260 HydrophobicContact CD2-CG 4.41Å; C229-L260 HydrophobicContact CB-CD1 3.59Å; L260-G262 PolarHBondContact O-N 3.1Å; L260-T263 PolarHBondContact O-N 3.34Å; L260-A264 WeakPolarHBondContact O-CB 3.24Å; L260-A264 PolarHBondContact O-N 3.43Å
261F93.5Very high78.6Confident169 Ų16977.1 Ų77.174%0.74139%0.388SS*.Hα-helixtrans-64.7-42.6-176-173.4-98.3000112.7G259 T263 A264 M265G259-F261 PolarHBondContact O-N 3.41Å; F261-T263 VanDerWaalsContact C-N 3.34Å; F261-T263 PolarHBondContact O-N 2.91Å; F261-A264 PolarHBondContact O-N 3.02Å; F261-M265 WeakPolarHBondContact O-CB 3.29Å; F261-M265 PolarHBondContact O-N 3.03Å
262G91.2Very high80.9Confident24 Ų2471.2 Ų71.225%0.24737%0.366CS..Hα-helixtrans-62.4-41.6176.200000112G259 L260 Y266G259-G262 PolarHBondContact O-N 2.63Å; L260-G262 PolarHBondContact O-N 3.1Å; G262-Y266 WeakPolarHBondContact O-CB 3.47Å; G262-Y266 PolarHBondContact O-N 2.83Å
263T92Very high83.3Confident0 Ų073.4 Ų73.40%037%0.371CS..Hα-helixtrans-65.3-42.8174.8-49.60000112.2C229 L232 L233 F257 G259 L260 F261 Y266 V267C229-T263 HydrophobicContact CB-CG2 3.91Å; L232-T263 HydrophobicContact CB-CG2 3.79Å; L232-T263 HydrophobicContact CD1-CG2 4.07Å; L233-T263 VanDerWaalsContact CD2-OG1 3.23Å; L233-T263 WeakPolarHBondContact CD2-OG1 3.49Å; L233-T263 HydrophobicContact CG-CG2 4.46Å; L233-T263 WeakPolarHBondContact CG-OG1 3.1Å; F257-T263 HydrophobicContact CD2-CG2 3.85Å; F257-T263 WeakPolarHBondContact CD2-OG1 3.26Å; F257-T263 HydrophobicContact CE2-CG2 3.53Å; F257-T263 WeakPolarHBondContact CE2-OG1 3.49Å; F257-T263 HydrophobicContact CZ-CG2 4.26Å; G259-T263 PolarHBondContact O-N 2.88Å; G259-T263 VanDerWaalsContact O-N 3.1Å; G259-T263 PolarHBondContact O-OG1 2.83Å; L260-T263 PolarHBondContact O-N 3.34Å; F261-T263 VanDerWaalsContact C-N 3.34Å; F261-T263 PolarHBondContact O-N 2.91Å; T263-Y266 WeakPolarHBondContact O-CB 3.32Å; T263-Y266 PolarHBondContact O-N 2.97Å; T263-V267 HydrophobicContact CG2-CG2 4.34Å; T263-V267 WeakPolarHBondContact O-CG2 3.24Å; T263-V267 PolarHBondContact O-N 3.29Å
264A94.1Very high85.3Confident25 Ų2580.1 Ų80.121%0.20739%0.385CS..Hα-helixtrans-62.9-44.7178.800000111.3L260 F261 Y266 V267 Y268 F276L260-A264 WeakPolarHBondContact O-CB 3.24Å; L260-A264 PolarHBondContact O-N 3.43Å; F261-A264 PolarHBondContact O-N 3.02Å; A264-Y266 VanDerWaalsContact C-N 3.3Å; A264-Y266 PolarHBondContact O-N 3.29Å; A264-V267 PolarHBondContact O-N 3.41Å; A264-Y268 WeakPolarHBondContact O-CB 3.35Å; A264-Y268 PolarHBondContact O-N 3.31Å; A264-F276 HydrophobicContact CB-CE1 4.07Å; A264-F276 HydrophobicContact CB-CZ 4.09Å; A264-F276 VanDerWaalsContact O-CZ 3.31Å; A264-F276 WeakPolarHBondContact O-CZ 2.99Å
265M93.8Very high87Confident105 Ų10572.3 Ų72.352%0.51735%0.351SS..Hα-helixtrans-59.5-43.1174.6-169.5-178.1-164.500111.2F261 Y268 Q269F261-M265 WeakPolarHBondContact O-CB 3.29Å; F261-M265 PolarHBondContact O-N 3.03Å; M265-Y268 PolarHBondContact O-N 3.4Å; M265-Q269 WeakPolarHBondContact O-CB 3.26Å; M265-Q269 VanDerWaalsContact O-CG 3.29Å; M265-Q269 WeakPolarHBondContact O-CG 3.27Å; M265-Q269 PolarHBondContact O-N 3.06Å
266Y90Very high88.7Confident21 Ų2172.2 Ų72.28%0.08235%0.347CS..Hα-helixtrans-60.9-46.9176.1177-101.4000112.8L49 R50 E256 F257 G262 T263 A264 Y268 Q269 M270L49-Y266 HydrophobicContact CD1-CD1 3.99Å; L49-Y266 HydrophobicContact CD1-CE1 3.82Å; R50-Y266 PolarHBondContact NH2-OH 3.47Å; E256-Y266 VanDerWaalsContact CD-CE2 3.45Å; E256-Y266 VanDerWaalsContact CD-OH 3.24Å; E256-Y266 HydrophobicContact CG-CD2 4.3Å; E256-Y266 HydrophobicContact CG-CE2 3.8Å; E256-Y266 WeakPolarHBondContact OE1-CE2 3.35Å; E256-Y266 VanDerWaalsContact OE1-CZ 3.24Å; E256-Y266 PolarHBondContact OE1-OH 3.49Å; E256-Y266 PolarHBondContact OE2-OH 3.43Å; F257-Y266 AromaticContact CD1-CD1 3.63Å; F257-Y266 HydrophobicContact CD1-CD1 3.63Å; F257-Y266 AromaticContact CD1-CD2 3.86Å; F257-Y266 HydrophobicContact CD1-CD2 3.86Å; F257-Y266 HydrophobicContact CD1-CE1 4.09Å; F257-Y266 HydrophobicContact CD1-CE2 4.3Å; F257-Y266 AromaticContact CD1-CG 3.48Å; F257-Y266 HydrophobicContact CD1-CG 3.48Å; F257-Y266 VanDerWaalsContact CD1-CG 3.48Å; F257-Y266 AromaticContact CE1-CD1 3.39Å; F257-Y266 HydrophobicContact CE1-CD1 3.39Å; F257-Y266 HydrophobicContact CE1-CD2 4.27Å; F257-Y266 AromaticContact CE1-CE1 3.52Å; F257-Y266 HydrophobicContact CE1-CE1 3.52Å; F257-Y266 HydrophobicContact CE1-CE2 4.38Å; F257-Y266 AromaticContact CE1-CG 3.78Å; F257-Y266 HydrophobicContact CE1-CG 3.78Å; F257-Y266 HydrophobicContact CG-CG 4.28Å; F257-Y266 HydrophobicContact CZ-CD1 4.09Å; F257-Y266 HydrophobicContact CZ-CE1 4.3Å; G262-Y266 WeakPolarHBondContact O-CB 3.47Å; G262-Y266 PolarHBondContact O-N 2.83Å; T263-Y266 WeakPolarHBondContact O-CB 3.32Å; T263-Y266 PolarHBondContact O-N 2.97Å; A264-Y266 VanDerWaalsContact C-N 3.3Å; A264-Y266 PolarHBondContact O-N 3.29Å; Y266-Y268 VanDerWaalsContact C-N 3.31Å; Y266-Y268 PolarHBondContact O-N 3.32Å; Y266-Q269 PolarHBondContact O-N 2.92Å; Y266-M270 HydrophobicContact CD1-CG 4.39Å; Y266-M270 HydrophobicContact CD2-CG 4.14Å; Y266-M270 HydrophobicContact CE1-CG 4Å; Y266-M270 HydrophobicContact CE2-CG 3.72Å; Y266-M270 HydrophobicContact CE2-SD 4.19Å; Y266-M270 HydrophobicContact CG-CG 4.47Å; Y266-M270 WeakPolarHBondContact O-CB 2.98Å; Y266-M270 WeakPolarHBondContact O-CG 3.33Å; Y266-M270 PolarHBondContact O-N 3.29Å
267V91.6Very high90Very high0 Ų071.2 Ų71.20%035%0.348CS..Hα-helixtrans-58-46.6176.9174.60000110.7L49 V228 L232 T263 A264 M270 T271 F276L49-V267 HydrophobicContact CD1-CB 4.19Å; L49-V267 HydrophobicContact CD1-CG1 4.4Å; L49-V267 HydrophobicContact CD1-CG2 3.81Å; V228-V267 HydrophobicContact CG1-CG2 4.24Å; L232-V267 HydrophobicContact CD1-CG2 3.39Å; T263-V267 HydrophobicContact CG2-CG2 4.34Å; T263-V267 WeakPolarHBondContact O-CG2 3.24Å; T263-V267 PolarHBondContact O-N 3.29Å; A264-V267 PolarHBondContact O-N 3.41Å; V267-M270 PolarHBondContact O-N 3.44Å; V267-T271 PolarHBondContact O-N 3.4Å; V267-T271 PolarHBondContact O-OG1 3.37Å; V267-T271 VanDerWaalsContact O-OG1 3.07Å; V267-F276 HydrophobicContact CB-CD1 4.43Å; V267-F276 HydrophobicContact CB-CE1 3.88Å; V267-F276 HydrophobicContact CB-CE2 4.22Å; V267-F276 HydrophobicContact CB-CZ 3.77Å; V267-F276 HydrophobicContact CG1-CD1 3.88Å; V267-F276 HydrophobicContact CG1-CD2 3.88Å; V267-F276 HydrophobicContact CG1-CE1 3.8Å; V267-F276 HydrophobicContact CG1-CE2 3.79Å; V267-F276 HydrophobicContact CG1-CG 3.94Å; V267-F276 HydrophobicContact CG1-CZ 3.77Å; V267-F276 HydrophobicContact CG2-CE1 4.29Å
268Y93Very high90.7Very high142 Ų14274.1 Ų74.156%0.55736%0.358SS*.Hα-helixtrans-62.8-43.1179.5-177.1-101.5000111.9A264 M265 Y266 G272 L273A264-Y268 WeakPolarHBondContact O-CB 3.35Å; A264-Y268 PolarHBondContact O-N 3.31Å; M265-Y268 PolarHBondContact O-N 3.4Å; Y266-Y268 VanDerWaalsContact C-N 3.31Å; Y266-Y268 PolarHBondContact O-N 3.32Å; Y268-G272 WeakPolarHBondContact O-CA 3.35Å; Y268-G272 PolarHBondContact O-N 3.37Å; Y268-L273 HydrophobicContact CD2-CD2 4.24Å; Y268-L273 HydrophobicContact CE2-CD2 4.23Å; Y268-L273 HydrophobicContact CE2-CG 4.26Å
269Q90.9Very high91.2Very high131 Ų13165.4 Ų65.461%0.61233%0.326SS*.Hα-helixtrans-66.1-39.1177.3-74.2174.3-15.600112.8M265 Y266M265-Q269 WeakPolarHBondContact O-CB 3.26Å; M265-Q269 VanDerWaalsContact O-CG 3.29Å; M265-Q269 WeakPolarHBondContact O-CG 3.27Å; M265-Q269 PolarHBondContact O-N 3.06Å; Y266-Q269 PolarHBondContact O-N 2.92Å
270M84Confident91.4Very high89 Ų8966.4 Ų66.444%0.43832%0.323SS..Hα-helixtrans-77.9-38.4-175.5-73.6-66.3-67.600113.8L49 Y266 V267L49-M270 HydrophobicContact CD1-CB 4.42Å; Y266-M270 HydrophobicContact CD1-CG 4.39Å; Y266-M270 HydrophobicContact CD2-CG 4.14Å; Y266-M270 HydrophobicContact CE1-CG 4Å; Y266-M270 HydrophobicContact CE2-CG 3.72Å; Y266-M270 HydrophobicContact CE2-SD 4.19Å; Y266-M270 HydrophobicContact CG-CG 4.47Å; Y266-M270 WeakPolarHBondContact O-CB 2.98Å; Y266-M270 WeakPolarHBondContact O-CG 3.33Å; Y266-M270 PolarHBondContact O-N 3.29Å; V267-M270 PolarHBondContact O-N 3.44Å
271T86.9Confident91.4Very high45 Ų4566.6 Ų66.628%0.27633%0.327SS..Hα-helixtrans-140.91-169.154.80000114.1L49 V267 G275L49-T271 HydrophobicContact CD2-CG2 4.09Å; V267-T271 PolarHBondContact O-N 3.4Å; V267-T271 PolarHBondContact O-OG1 3.37Å; V267-T271 VanDerWaalsContact O-OG1 3.07Å; T271-G275 WeakPolarHBondContact OG1-CA 3.49Å; T271-G275 PolarHBondContact OG1-N 2.92Å
272G91.1Very high91.4Very high22 Ų2258.6 Ų58.623%0.22729%0.292CS..G310 helixtrans64.8-156.6-172.800000112.8Y268 R274 G275Y268-G272 WeakPolarHBondContact O-CA 3.35Å; Y268-G272 PolarHBondContact O-N 3.37Å; G272-R274 PolarHBondContact O-N 3.2Å; G272-G275 PolarHBondContact O-N 3.46Å; G272-G275 VanDerWaalsContact O-N 3.1Å
273L92.6Very high91.5Very high131 Ų13158.7 Ų58.769%0.68629%0.285SS*.G310 helixtrans-61.6-27.4-178.5-66173.7000113.4Y268 G275 F276Y268-L273 HydrophobicContact CD2-CD2 4.24Å; Y268-L273 HydrophobicContact CE2-CD2 4.23Å; Y268-L273 HydrophobicContact CE2-CG 4.26Å; L273-G275 PolarHBondContact O-N 3.01Å; L273-F276 PolarHBondContact O-N 2.99Å
274R90.7Very high91.5Very high213 Ų21361.8 Ų61.880%0.80430%0.301SS*.G310 helixtrans-64.9-22176.9-76.5179.8150.7-179.5-5.9113.4G272 F276 T277G272-R274 PolarHBondContact O-N 3.2Å; R274-F276 VanDerWaalsContact C-N 3.28Å; R274-F276 PolarHBondContact O-N 2.95Å; R274-T277 PolarHBondContact O-N 3.32Å; R274-T277 PolarHBondContact O-OG1 3.01Å
275G89.6Confident91.4Very high0 Ų065.1 Ų65.10%032%0.315CS..G310 helixtrans-60.9-40174.100000112.6T271 G272 L273 T277 R278T271-G275 WeakPolarHBondContact OG1-CA 3.49Å; T271-G275 PolarHBondContact OG1-N 2.92Å; G272-G275 PolarHBondContact O-N 3.46Å; G272-G275 VanDerWaalsContact O-N 3.1Å; L273-G275 PolarHBondContact O-N 3.01Å; G275-T277 PolarHBondContact O-N 3.27Å; G275-R278 WeakPolarHBondContact O-CB 3.33Å; G275-R278 PolarHBondContact O-N 3.43Å
276F93.9Very high91.3Very high33 Ų3361.3 Ų61.315%0.14530%0.297CS..G310 helixtrans-73.3-13.2-177.8-62.9-77.4000114N224 P225 A264 V267 L273 R274N224-F276 PolarHBondContact ND2-O 3.44Å; P225-F276 HydrophobicContact CB-CB 3.96Å; P225-F276 HydrophobicContact CB-CD1 3.82Å; P225-F276 HydrophobicContact CB-CG 4.23Å; P225-F276 HydrophobicContact CG-CB 4.14Å; A264-F276 HydrophobicContact CB-CE1 4.07Å; A264-F276 HydrophobicContact CB-CZ 4.09Å; A264-F276 VanDerWaalsContact O-CZ 3.31Å; A264-F276 WeakPolarHBondContact O-CZ 2.99Å; V267-F276 HydrophobicContact CB-CD1 4.43Å; V267-F276 HydrophobicContact CB-CE1 3.88Å; V267-F276 HydrophobicContact CB-CE2 4.22Å; V267-F276 HydrophobicContact CB-CZ 3.77Å; V267-F276 HydrophobicContact CG1-CD1 3.88Å; V267-F276 HydrophobicContact CG1-CD2 3.88Å; V267-F276 HydrophobicContact CG1-CE1 3.8Å; V267-F276 HydrophobicContact CG1-CE2 3.79Å; V267-F276 HydrophobicContact CG1-CG 3.94Å; V267-F276 HydrophobicContact CG1-CZ 3.77Å; V267-F276 HydrophobicContact CG2-CE1 4.29Å; L273-F276 PolarHBondContact O-N 2.99Å; R274-F276 VanDerWaalsContact C-N 3.28Å; R274-F276 PolarHBondContact O-N 2.95Å
277T93.4Very high91.4Very high76 Ų7660.9 Ų60.947%0.46630%0.298SS..G310 helixtrans-93.8-0.4175.861.70000112.6R274 G275 I280R274-T277 PolarHBondContact O-N 3.32Å; R274-T277 PolarHBondContact O-OG1 3.01Å; G275-T277 PolarHBondContact O-N 3.27Å; T277-I280 WeakPolarHBondContact O-CB 3.49Å; T277-I280 WeakPolarHBondContact O-CG2 3.41Å; T277-I280 PolarHBondContact O-N 2.98Å
278R90.2Very high91.3Very high77 Ų7764 Ų6429%0.29132%0.317SS..THydrogen-bonded Turntrans-64.2137.9177.1-73.5-166.6177.8-171.42.3110.9M46 C48 L49 N224 V228 G275 I280M46-R278 WeakPolarHBondContact O-CD 3.48Å; C48-R278 PolarHBondContact O-NH1 2.87Å; L49-R278 PolarHBondContact O-NH1 2.85Å; N224-R278 PolarHBondContact ND2-O 3.38Å; V228-R278 WeakPolarHBondContact CG2-O 3.4Å; G275-R278 WeakPolarHBondContact O-CB 3.33Å; G275-R278 PolarHBondContact O-N 3.43Å; R278-I280 PolarHBondContact O-N 2.9Å
279G91.6Very high91.1Very high2 Ų260.4 Ų60.42%0.02131%0.311CS..THydrogen-bonded Turntrans77.4-3.2-177.200000115.3S281 A282 R283G279-S281 VanDerWaalsContact C-N 3.28Å; G279-S281 PolarHBondContact O-N 2.9Å; G279-A282 WeakPolarHBondContact O-CB 3.4Å; G279-A282 PolarHBondContact O-N 3.45Å; G279-R283 PolarHBondContact O-N 3.49Å; G279-R283 VanDerWaalsContact O-N 3.1Å
280I93.5Very high90.9Very high52 Ų5254.6 Ų54.627%0.26729%0.287SS..Hα-helixtrans-59-39.9-178.4-163.5172.6000112.3A221 N224 T277 R278 A282 R283 I284A221-I280 HydrophobicContact CB-CD1 4.16Å; N224-I280 HydrophobicContact CB-CG1 4.4Å; N224-I280 WeakPolarHBondContact OD1-CA 3.11Å; N224-I280 PolarHBondContact OD1-N 3.36Å; T277-I280 WeakPolarHBondContact O-CB 3.49Å; T277-I280 WeakPolarHBondContact O-CG2 3.41Å; T277-I280 PolarHBondContact O-N 2.98Å; R278-I280 PolarHBondContact O-N 2.9Å; I280-A282 VanDerWaalsContact C-N 3.3Å; I280-A282 PolarHBondContact O-N 3.16Å; I280-R283 PolarHBondContact O-N 2.86Å; I280-I284 HydrophobicContact CD1-CD1 4.3Å; I280-I284 HydrophobicContact CG1-CD1 3.83Å; I280-I284 HydrophobicContact CG1-CG1 4.34Å; I280-I284 WeakPolarHBondContact O-CG1 3.29Å; I280-I284 PolarHBondContact O-N 3.48Å
281S92Very high91.1Very high42 Ų4252 Ų5229%0.29428%0.276SS..Hα-helixtrans-65-36.2177.555.70000111.9M46 G279 L285M46-S281 WeakPolarHBondContact CE-OG 3.23Å; G279-S281 VanDerWaalsContact C-N 3.28Å; G279-S281 PolarHBondContact O-N 2.9Å; S281-L285 VanDerWaalsContact O-CB 3.25Å; S281-L285 WeakPolarHBondContact O-CB 3.38Å; S281-L285 WeakPolarHBondContact O-CD1 3.11Å; S281-L285 WeakPolarHBondContact O-CG 3.47Å; S281-L285 PolarHBondContact O-N 3.33Å
282A92.7Very high91.2Very high0 Ų051.3 Ų51.30%028%0.275CS..Hα-helixtrans-61.8-49.7173.600000110.1K43 M46 L60 G279 I280 I284 T286K43-A282 HydrophobicContact CB-CB 3.9Å; K43-A282 HydrophobicContact CG-CB 4.07Å; M46-A282 HydrophobicContact SD-CB 4.25Å; L60-A282 HydrophobicContact CB-CB 4.35Å; L60-A282 HydrophobicContact CD1-CB 4.03Å; G279-A282 WeakPolarHBondContact O-CB 3.4Å; G279-A282 PolarHBondContact O-N 3.45Å; I280-A282 VanDerWaalsContact C-N 3.3Å; I280-A282 PolarHBondContact O-N 3.16Å; A282-I284 PolarHBondContact O-N 3.03Å; A282-T286 WeakPolarHBondContact O-CB 2.94Å; A282-T286 WeakPolarHBondContact O-CG2 3.42Å; A282-T286 PolarHBondContact O-N 3Å; A282-T286 PolarHBondContact O-OG1 2.89Å
283R93.1Very high91Very high27 Ų2752 Ų5210%0.10227%0.273CS..Hα-helixtrans-65.2-39.8-177.8-58.3-174.467173.8-5.3113.8K43 A220 T223 N224 D227 G279 I280 T286 A287K43-R283 HydrophobicContact CD-CG 3.97Å; A220-R283 HydrophobicContact CB-CB 3.62Å; T223-R283 PolarHBondContact O-NH1 3.15Å; T223-R283 PolarHBondContact OG1-NH1 2.67Å; T223-R283 PolarHBondContact OG1-NH2 3.17Å; N224-R283 VanDerWaalsContact OD1-CD 3.28Å; N224-R283 WeakPolarHBondContact OD1-CD 3.32Å; D227-R283 WeakPolarHBondContact OD2-CD 3.38Å; D227-R283 IonicContact OD2-CZ 3.85Å; D227-R283 IonicContact OD2-NE 3.59Å; D227-R283 IonicContact OD2-NH1 3.68Å; D227-R283 PolarHBondContact OD2-NH1 2.74Å; G279-R283 PolarHBondContact O-N 3.49Å; G279-R283 VanDerWaalsContact O-N 3.1Å; I280-R283 PolarHBondContact O-N 2.86Å; R283-T286 PolarHBondContact O-OG1 3.33Å; R283-T286 VanDerWaalsContact O-OG1 3.07Å; R283-A287 PolarHBondContact O-N 3.44Å
284I93.5Very high90.6Very high64 Ų6448 Ų4833%0.32826%0.256SS..Hα-helixtrans-68.3-50.2179.2-69.9173.9000110.7C217 I280 A282 T286 A287C217-I284 HydrophobicContact CB-CG2 4.46Å; C217-I284 PolarHBondContact SG-O 2.82Å; I280-I284 HydrophobicContact CD1-CD1 4.3Å; I280-I284 HydrophobicContact CG1-CD1 3.83Å; I280-I284 HydrophobicContact CG1-CG1 4.34Å; I280-I284 WeakPolarHBondContact O-CG1 3.29Å; I280-I284 PolarHBondContact O-N 3.48Å; A282-I284 PolarHBondContact O-N 3.03Å; I284-T286 PolarHBondContact O-N 3.43Å; I284-T286 VanDerWaalsContact O-N 3.11Å; I284-A287 WeakPolarHBondContact O-CB 3.37Å; I284-A287 PolarHBondContact O-N 2.92Å
285L92.2Very high90.2Very high95 Ų9540.9 Ų40.950%0.49723%0.229SC..Hα-helixtrans-64.7-19.6-177.4-70.3173.3000112.9L60 S281 P289L60-L285 HydrophobicContact CB-CD1 4.12Å; L60-L285 HydrophobicContact CD2-CB 3.79Å; L60-L285 HydrophobicContact CD2-CD1 4.17Å; S281-L285 VanDerWaalsContact O-CB 3.25Å; S281-L285 WeakPolarHBondContact O-CB 3.38Å; S281-L285 WeakPolarHBondContact O-CD1 3.11Å; S281-L285 WeakPolarHBondContact O-CG 3.47Å; S281-L285 PolarHBondContact O-N 3.33Å; L285-P289 VanDerWaalsContact O-CD 3.3Å; L285-P289 WeakPolarHBondContact O-CD 3.5Å
286T91.6Very high89.8Confident25 Ų2544 Ų4415%0.15325%0.251CS..THydrogen-bonded Turntrans-98.5-7.8-177.361.40000113.6M36 V39 L60 A282 R283 I284 G290M36-T286 HydrophobicContact CE-CG2 4Å; V39-T286 HydrophobicContact CB-CG2 4.41Å; V39-T286 HydrophobicContact CG1-CG2 3.09Å; L60-T286 HydrophobicContact CD2-CG2 3.73Å; A282-T286 WeakPolarHBondContact O-CB 2.94Å; A282-T286 WeakPolarHBondContact O-CG2 3.42Å; A282-T286 PolarHBondContact O-N 3Å; A282-T286 PolarHBondContact O-OG1 2.89Å; R283-T286 PolarHBondContact O-OG1 3.33Å; R283-T286 VanDerWaalsContact O-OG1 3.07Å; I284-T286 PolarHBondContact O-N 3.43Å; I284-T286 VanDerWaalsContact O-N 3.11Å; T286-G290 WeakPolarHBondContact O-CA 3.35Å; T286-G290 PolarHBondContact O-N 2.79Å
287A91Very high89.2Confident12 Ų1243.1 Ų43.110%0.09925%0.249CC..Hα-helixtrans-62.1-56.8-178.800000111.1G213 R283 I284 G290 T291G213-A287 WeakPolarHBondContact O-CB 3.41Å; R283-A287 PolarHBondContact O-N 3.44Å; I284-A287 WeakPolarHBondContact O-CB 3.37Å; I284-A287 PolarHBondContact O-N 2.92Å; A287-G290 PolarHBondContact O-N 3.48Å; A287-T291 PolarHBondContact O-N 2.95Å; A287-T291 PolarHBondContact O-OG1 3.37Å
288V89.2Confident88.4Confident65 Ų6542.7 Ų42.739%0.39424%0.239SC..Hα-helixtrans-62.2-50-179.7-179.90000112.1V209 G290 T291 A292V209-V288 HydrophobicContact CG1-CG1 4.15Å; V288-G290 VanDerWaalsContact C-N 3.32Å; V288-G290 PolarHBondContact O-N 3.37Å; V288-T291 PolarHBondContact O-N 3.23Å; V288-A292 WeakPolarHBondContact O-CB 3.43Å; V288-A292 PolarHBondContact O-N 2.81Å
289P89.1Confident87.8Confident67 Ų6740.8 Ų40.844%0.43523%0.233SC..Hα-helixtrans-62.5-37.3177.2-23.235.1000113.1L285 A292 L293L285-P289 VanDerWaalsContact O-CD 3.3Å; L285-P289 WeakPolarHBondContact O-CD 3.5Å; P289-A292 PolarHBondContact O-N 2.98Å; P289-L293 WeakPolarHBondContact O-CB 3.28Å; P289-L293 PolarHBondContact O-N 3.5Å
290G88Confident87.2Confident10 Ų1047 Ų4710%0.10326%0.257CS..Hα-helixtrans-63.4-48176.400000111.8T286 A287 V288 L293 S294T286-G290 WeakPolarHBondContact O-CA 3.35Å; T286-G290 PolarHBondContact O-N 2.79Å; A287-G290 PolarHBondContact O-N 3.48Å; V288-G290 VanDerWaalsContact C-N 3.32Å; V288-G290 PolarHBondContact O-N 3.37Å; G290-L293 PolarHBondContact O-N 3.37Å; G290-S294 WeakPolarHBondContact O-CB 3.35Å; G290-S294 PolarHBondContact O-N 2.92Å
291T87.3Confident86.4Confident34 Ų3446.4 Ų46.421%0.20925%0.253CS..Hα-helixtrans-61.6-45.4174.8-55.30000111.6A287 V288 L293 S294 W295A287-T291 PolarHBondContact O-N 2.95Å; A287-T291 PolarHBondContact O-OG1 3.37Å; V288-T291 PolarHBondContact O-N 3.23Å; T291-L293 VanDerWaalsContact C-N 3.3Å; T291-L293 PolarHBondContact O-N 3.48Å; T291-S294 PolarHBondContact O-N 3.48Å; T291-W295 WeakPolarHBondContact O-CB 3.39Å; T291-W295 PolarHBondContact O-N 3.42Å
292A88.8Confident85.3Confident30 Ų3044.8 Ų44.825%0.24824%0.24CC..Hα-helixtrans-58.6-43.5177.400000111.7V209 V288 P289 S296V209-A292 HydrophobicContact CG1-CB 3.66Å; V209-A292 HydrophobicContact CG2-CB 4.36Å; V288-A292 WeakPolarHBondContact O-CB 3.43Å; V288-A292 PolarHBondContact O-N 2.81Å; P289-A292 PolarHBondContact O-N 2.98Å; A292-S296 VanDerWaalsContact O-CB 3.26Å; A292-S296 WeakPolarHBondContact O-CB 3.37Å; A292-S296 PolarHBondContact O-N 2.93Å; A292-S296 PolarHBondContact O-OG 3.36Å
293L87.6Confident84.4Confident37 Ų3752.5 Ų52.519%0.19427%0.269CS..Hα-helixtrans-66.5-51.1178.6-178.467.7000111.4E32 V35 M36 P289 G290 T291 W295 S296 V297E32-L293 HydrophobicContact CB-CD2 4.32Å; E32-L293 HydrophobicContact CG-CD2 3.85Å; E32-L293 HydrophobicContact CG-CG 4.27Å; V35-L293 HydrophobicContact CB-CD1 4.49Å; V35-L293 HydrophobicContact CB-CD2 3.76Å; V35-L293 HydrophobicContact CG1-CD1 4.16Å; V35-L293 HydrophobicContact CG1-CD2 3.64Å; M36-L293 HydrophobicContact CG-CD2 3.77Å; M36-L293 HydrophobicContact SD-CD2 4.28Å; P289-L293 WeakPolarHBondContact O-CB 3.28Å; P289-L293 PolarHBondContact O-N 3.5Å; G290-L293 PolarHBondContact O-N 3.37Å; T291-L293 VanDerWaalsContact C-N 3.3Å; T291-L293 PolarHBondContact O-N 3.48Å; L293-W295 VanDerWaalsContact C-N 3.28Å; L293-W295 PolarHBondContact O-N 3.23Å; L293-S296 PolarHBondContact O-N 2.83Å; L293-V297 HydrophobicContact CD1-CG2 3.92Å; L293-V297 HydrophobicContact CG-CG2 4.25Å; L293-V297 WeakPolarHBondContact O-CB 3.23Å; L293-V297 WeakPolarHBondContact O-CG2 3.23Å; L293-V297 PolarHBondContact O-N 2.85Å
294S83.3Confident83.5Confident48 Ų4858 Ų5834%0.33629%0.29SS..Hα-helixtrans-56.1-45.7179.6-156.90000111E32 G290 T291 Y298E32-S294 VanDerWaalsContact OE2-CB 3.24Å; E32-S294 WeakPolarHBondContact OE2-CB 3.24Å; E32-S294 PolarHBondContact OE2-OG 3.44Å; G290-S294 WeakPolarHBondContact O-CB 3.35Å; G290-S294 PolarHBondContact O-N 2.92Å; T291-S294 PolarHBondContact O-N 3.48Å; S294-Y298 VanDerWaalsContact O-CB 3.31Å; S294-Y298 WeakPolarHBondContact O-CB 3.34Å; S294-Y298 PolarHBondContact O-N 3.13Å
295W81.7Confident82.3Confident62 Ų6257.6 Ų57.624%0.23529%0.289CS..Hα-helixtrans-65.6-48.1177-165.886.6000112.5Y203 P205 T291 L293 V297 Y298 E299Y203-W295 HydrophobicContact CE2-CZ2 4.39Å; P205-W295 HydrophobicContact CB-CE3 4.44Å; P205-W295 HydrophobicContact CB-CH2 3.33Å; P205-W295 HydrophobicContact CB-CZ2 3.73Å; P205-W295 HydrophobicContact CB-CZ3 3.72Å; P205-W295 HydrophobicContact CG-CH2 3.45Å; P205-W295 VanDerWaalsContact CG-CH2 3.45Å; P205-W295 HydrophobicContact CG-CZ2 3.86Å; P205-W295 HydrophobicContact CG-CZ3 4.26Å; T291-W295 WeakPolarHBondContact O-CB 3.39Å; T291-W295 PolarHBondContact O-N 3.42Å; L293-W295 VanDerWaalsContact C-N 3.28Å; L293-W295 PolarHBondContact O-N 3.23Å; W295-V297 VanDerWaalsContact C-N 3.29Å; W295-V297 PolarHBondContact O-N 3.46Å; W295-Y298 PolarHBondContact O-N 3.15Å; W295-E299 HydrophobicContact CD2-CG 3.94Å; W295-E299 HydrophobicContact CE3-CG 3.77Å; W295-E299 HydrophobicContact CH2-CG 3.35Å; W295-E299 HydrophobicContact CZ2-CG 3.56Å; W295-E299 HydrophobicContact CZ3-CB 4.46Å; W295-E299 HydrophobicContact CZ3-CG 3.48Å; W295-E299 VanDerWaalsContact CZ3-CG 3.48Å; W295-E299 PolarHBondContact O-N 3.23Å
296S83.1Confident81Confident66 Ų6658.5 Ų58.546%0.46229%0.289SS..Hα-helixtrans-60.2-40.5179.8-59.90000112.1A292 L293 Y300A292-S296 VanDerWaalsContact O-CB 3.26Å; A292-S296 WeakPolarHBondContact O-CB 3.37Å; A292-S296 PolarHBondContact O-N 2.93Å; A292-S296 PolarHBondContact O-OG 3.36Å; L293-S296 PolarHBondContact O-N 2.83Å; S296-Y300 WeakPolarHBondContact O-CB 3.4Å; S296-Y300 PolarHBondContact O-N 3.32Å
297V81.2Confident79.2Confident15 Ų1559.5 Ų59.59%0.09130%0.299CS..Hα-helixtrans-71.7-40.5179.5179.80000110.5A28 M31 L293 W295 Y300 F301A28-V297 HydrophobicContact CB-CB 4.31Å; A28-V297 HydrophobicContact CB-CG1 3.55Å; M31-V297 HydrophobicContact CB-CG1 4.06Å; M31-V297 HydrophobicContact CG-CG1 4.31Å; M31-V297 HydrophobicContact CG-CG2 4.19Å; L293-V297 HydrophobicContact CD1-CG2 3.92Å; L293-V297 HydrophobicContact CG-CG2 4.25Å; L293-V297 WeakPolarHBondContact O-CB 3.23Å; L293-V297 WeakPolarHBondContact O-CG2 3.23Å; L293-V297 PolarHBondContact O-N 2.85Å; W295-V297 VanDerWaalsContact C-N 3.29Å; W295-V297 PolarHBondContact O-N 3.46Å; V297-Y300 PolarHBondContact O-N 3.36Å; V297-F301 HydrophobicContact CG1-CD2 3.69Å; V297-F301 HydrophobicContact CG1-CE2 3.57Å; V297-F301 VanDerWaalsContact O-CD2 3.26Å; V297-F301 WeakPolarHBondContact O-CD2 3.18Å; V297-F301 PolarHBondContact O-N 3.46Å
298Y76.6Confident76.9Confident66 Ų6664.8 Ų64.826%0.25933%0.333SS..Hα-helixtrans-58.9-48.6173.2176.6-103000111.9E10 S294 W295 Y300 F301 K302E10-Y298 PolarHBondContact O-OH 2.99Å; S294-Y298 VanDerWaalsContact O-CB 3.31Å; S294-Y298 WeakPolarHBondContact O-CB 3.34Å; S294-Y298 PolarHBondContact O-N 3.13Å; W295-Y298 PolarHBondContact O-N 3.15Å; Y298-Y300 VanDerWaalsContact C-N 3.33Å; Y298-Y300 PolarHBondContact O-N 2.84Å; Y298-F301 PolarHBondContact O-N 3.35Å; Y298-K302 HydrophobicContact CE1-CD 4.34Å; Y298-K302 VanDerWaalsContact O-CB 3.29Å; Y298-K302 WeakPolarHBondContact O-CB 3.2Å; Y298-K302 PolarHBondContact O-N 3.35Å
299E76.2Confident74.6Confident38 Ų3867.4 Ų67.418%0.17835%0.349CS..Hα-helixtrans-59.9-42.8175.6-74.1-53.7127.900112.3Y9 W295 F301 K302 W303Y9-E299 PolarHBondContact OH-OE1 3.1Å; Y9-E299 VanDerWaalsContact OH-OE1 3.1Å; Y9-E299 PolarHBondContact OH-OE2 3.38Å; W295-E299 HydrophobicContact CD2-CG 3.94Å; W295-E299 HydrophobicContact CE3-CG 3.77Å; W295-E299 HydrophobicContact CH2-CG 3.35Å; W295-E299 HydrophobicContact CZ2-CG 3.56Å; W295-E299 HydrophobicContact CZ3-CB 4.46Å; W295-E299 HydrophobicContact CZ3-CG 3.48Å; W295-E299 VanDerWaalsContact CZ3-CG 3.48Å; W295-E299 PolarHBondContact O-N 3.23Å; E299-F301 PolarHBondContact O-N 3.43Å; E299-K302 PolarHBondContact O-N 3.06Å; E299-K302 WeakPolarHBondContact OE1-CE 3.46Å; E299-K302 IonicContact OE1-NZ 3.37Å; E299-K302 PolarHBondContact OE1-NZ 2.96Å; E299-K302 WeakPolarHBondContact OE2-CE 3.46Å; E299-K302 IonicContact OE2-NZ 2.78Å; E299-K302 PolarHBondContact OE2-NZ 3.31Å; E299-W303 WeakPolarHBondContact O-CB 3.24Å; E299-W303 PolarHBondContact O-N 3.44Å
300Y79.6Confident71.8Confident133 Ų13373.4 Ų73.452%0.52237%0.368SS..Hα-helixtrans-58.4-48.9177.8175.1-96000111.8S296 V297 Y298 W303 R304S296-Y300 WeakPolarHBondContact O-CB 3.4Å; S296-Y300 PolarHBondContact O-N 3.32Å; V297-Y300 PolarHBondContact O-N 3.36Å; Y298-Y300 VanDerWaalsContact C-N 3.33Å; Y298-Y300 PolarHBondContact O-N 2.84Å; Y300-W303 PolarHBondContact O-N 3.41Å; Y300-R304 WeakPolarHBondContact O-CB 3.48Å; Y300-R304 PolarHBondContact O-N 3.41Å
301F75.6Confident69Low38 Ų3877.9 Ų77.917%0.16740%0.395CS..Hα-helixtrans-70.3-38179.1-79.1-69.6000112.6A24 C27 A28 V297 Y298 E299 W303 R304 L305A24-F301 HydrophobicContact CB-CB 3.64Å; A24-F301 HydrophobicContact CB-CG 4.41Å; C27-F301 HydrophobicContact CB-CD1 4.19Å; C27-F301 HydrophobicContact CB-CD2 4.25Å; C27-F301 HydrophobicContact CB-CE1 3.63Å; C27-F301 HydrophobicContact CB-CE2 3.7Å; C27-F301 HydrophobicContact CB-CG 4.5Å; C27-F301 HydrophobicContact CB-CZ 3.38Å; A28-F301 HydrophobicContact CB-CD2 4.05Å; A28-F301 HydrophobicContact CB-CE2 4.45Å; V297-F301 HydrophobicContact CG1-CD2 3.69Å; V297-F301 HydrophobicContact CG1-CE2 3.57Å; V297-F301 VanDerWaalsContact O-CD2 3.26Å; V297-F301 WeakPolarHBondContact O-CD2 3.18Å; V297-F301 PolarHBondContact O-N 3.46Å; Y298-F301 PolarHBondContact O-N 3.35Å; E299-F301 PolarHBondContact O-N 3.43Å; F301-W303 VanDerWaalsContact C-N 3.34Å; F301-W303 PolarHBondContact O-N 2.94Å; F301-R304 PolarHBondContact O-N 3.21Å; F301-L305 WeakPolarHBondContact O-CB 3Å; F301-L305 WeakPolarHBondContact O-CG 3.35Å; F301-L305 PolarHBondContact O-N 3.25Å
302K70.7Confident66.6Low9 Ų985.2 Ų85.24%0.03943%0.432CS..Hα-helixtrans-57.5-47.1172.1156.8160.958.5167.20111.1L12 Y298 E299 L305 K306L12-K302 HydrophobicContact CD2-CB 3.9Å; L12-K302 HydrophobicContact CD2-CD 3.54Å; L12-K302 HydrophobicContact CD2-CG 3.39Å; L12-K302 HydrophobicContact CG-CB 4.28Å; L12-K302 HydrophobicContact CG-CD 3.86Å; L12-K302 HydrophobicContact CG-CG 4.09Å; Y298-K302 HydrophobicContact CE1-CD 4.34Å; Y298-K302 VanDerWaalsContact O-CB 3.29Å; Y298-K302 WeakPolarHBondContact O-CB 3.2Å; Y298-K302 PolarHBondContact O-N 3.35Å; E299-K302 PolarHBondContact O-N 3.06Å; E299-K302 WeakPolarHBondContact OE1-CE 3.46Å; E299-K302 IonicContact OE1-NZ 3.37Å; E299-K302 PolarHBondContact OE1-NZ 2.96Å; E299-K302 WeakPolarHBondContact OE2-CE 3.46Å; E299-K302 IonicContact OE2-NZ 2.78Å; E299-K302 PolarHBondContact OE2-NZ 3.31Å; K302-L305 PolarHBondContact O-N 3.4Å; K302-K306 HydrophobicContact CG-CD 4.39Å; K302-K306 WeakPolarHBondContact O-CB 3.25Å; K302-K306 WeakPolarHBondContact O-CG 3.37Å; K302-K306 PolarHBondContact O-N 2.89Å
303W72.2Confident63.8Low161 Ų16186.6 Ų86.661%0.6145%0.449SS*.Hα-helixtrans-61.9-44175.6177.378000111.7E299 Y300 F301 L305 K306 A307E299-W303 WeakPolarHBondContact O-CB 3.24Å; E299-W303 PolarHBondContact O-N 3.44Å; Y300-W303 PolarHBondContact O-N 3.41Å; F301-W303 VanDerWaalsContact C-N 3.34Å; F301-W303 PolarHBondContact O-N 2.94Å; W303-L305 VanDerWaalsContact C-N 3.34Å; W303-L305 PolarHBondContact O-N 2.96Å; W303-K306 PolarHBondContact O-N 3.17Å; W303-A307 PolarHBondContact O-N 2.81Å
304R74.3Confident61.1Low143 Ų14389.5 Ų89.554%0.5447%0.473SS..Hα-helixtrans-68-31.7-177.3-168.562-175.580.3-4.4113.7Y300 F301 A307Y300-R304 WeakPolarHBondContact O-CB 3.48Å; Y300-R304 PolarHBondContact O-N 3.41Å; F301-R304 PolarHBondContact O-N 3.21Å; R304-A307 WeakPolarHBondContact O-CB 3.22Å
305L69Low58.6Low56 Ų5694.4 Ų94.429%0.29350%0.495SS..Hα-helixtrans-81.8-31.1175.5-70.9177.7000113.2Q20 A24 F301 K302 W303 A307Q20-L305 HydrophobicContact CB-CD1 4.17Å; Q20-L305 VanDerWaalsContact O-CD1 3.25Å; Q20-L305 WeakPolarHBondContact O-CD1 3.44Å; A24-L305 HydrophobicContact CB-CD1 3.43Å; A24-L305 VanDerWaalsContact CB-CD1 3.43Å; F301-L305 WeakPolarHBondContact O-CB 3Å; F301-L305 WeakPolarHBondContact O-CG 3.35Å; F301-L305 PolarHBondContact O-N 3.25Å; K302-L305 PolarHBondContact O-N 3.4Å; W303-L305 VanDerWaalsContact C-N 3.34Å; W303-L305 PolarHBondContact O-N 2.96Å; L305-A307 PolarHBondContact O-N 2.9Å
306K64.9Low56.1Low114 Ų114101.4 Ų101.450%0.49653%0.528SS..Hα-helixtrans-68-17.6172.4-81-174.4178.3-172.40113.3L12 K302 W303 P308L12-K306 HydrophobicContact CD2-CG 4.31Å; K302-K306 HydrophobicContact CG-CD 4.39Å; K302-K306 WeakPolarHBondContact O-CB 3.25Å; K302-K306 WeakPolarHBondContact O-CG 3.37Å; K302-K306 PolarHBondContact O-N 2.89Å; W303-K306 PolarHBondContact O-N 3.17Å; K306-P308 VanDerWaalsContact O-N 3.13Å
307A53.8Low53.3Low46 Ų46101.5 Ų101.538%0.3854%0.539SS..SBendtrans-52122.3175.200000108.9W303 R304 L305 T309W303-A307 PolarHBondContact O-N 2.81Å; R304-A307 WeakPolarHBondContact O-CB 3.22Å; L305-A307 PolarHBondContact O-N 2.9Å; A307-T309 PolarHBondContact O-N 3.43Å
308P43.1Very low50.8Low123 Ų123109.5 Ų109.580%0.79958%0.576SS**  trans-57.9111.2-167.320.1-31.6000109.8K306 K310K306-P308 VanDerWaalsContact O-N 3.13Å; P308-K310 PolarHBondContact O-N 3.48Å
309T39.7Very low48.2Very low119 Ų119112.8 Ų112.873%0.7360%0.603SS**  trans-57.3112.5155.445.20000105.5A307 P311A307-T309 PolarHBondContact O-N 3.43Å; T309-P311 VanDerWaalsContact O-N 3.16Å
310K30.5Very low45.7Very low193 Ų193117 Ų11784%0.83964%0.636SS**  trans-46.6127171.4-81.8-177.6175.5-1800107.4P308 L312P308-K310 PolarHBondContact O-N 3.48Å; K310-L312 PolarHBondContact O-N 2.83Å; K310-L312 VanDerWaalsContact O-N 3.13Å
311P29.4Very low43.1Very low104 Ų104114.6 Ų114.668%0.67565%0.652SS**  trans-58.1123.5-179.220.7-29.9000108.9T309 G313T309-P311 VanDerWaalsContact O-N 3.16Å; P311-G313 PolarHBondContact O-N 3.36Å
312L36.4Very low40.6Very low188 Ų188116.5 Ų116.598%0.98468%0.683SS**THydrogen-bonded Turntrans-68.482.9175.3-164.481.6000107.6K310K310-L312 PolarHBondContact O-N 2.83Å; K310-L312 VanDerWaalsContact O-N 3.13Å
313G31.9Very low38.3Very low59 Ų59124.1 Ų124.161%0.60872%0.724SS**THydrogen-bonded Turntrans172.2-0.3-177.900000118.7P311P311-G313 PolarHBondContact O-N 3.36Å
314S30Very low36Very low99 Ų99122.2 Ų122.269%0.69274%0.735SS**  trans-96.3-1.7178.663.30000115.7F316S314-F316 PolarHBondContact O-N 3.42Å
315D30.5Very low33.7Very low151 Ų151121.2 Ų121.281%0.80775%0.745SS**  trans-96.964.3175.4-68.3-12.5000110.4
316F28.8Very low31.6Very low208 Ų208125.6 Ų125.691%0.91276%0.763SS**  trans-128.473.6160.5-85.3-77.2000108.6S314S314-F316 PolarHBondContact O-N 3.42Å
317G25.5Very low29.6Very low68 Ų68127.5 Ų127.570%0.70178%0.779SS**SBendtrans-173.9117.6171.700000110.3
318E27.7Very low28.3Very low183 Ų183132.3 Ų132.386%0.85580%0.797SS**  trans88.677.7167.8-58.2-175.6162.200118.1
319T22.5Very low27.4Very low135 Ų135134.6 Ų134.683%0.82880%0.797SS**  52.3121.9119.557.60000121.3
320S24.6Very low26.9Very low126 Ų126136.2 Ų136.288%0.88180%0.799SS**  trans92.1101.4138.7-130.80000118.7
321G23.5Very low26.9Very low83 Ų83133.4 Ų133.486%0.85679%0.793SS**  trans90.1112.5138.300000117.6
322G23.3Very low26.9Very low79 Ų79134.4 Ų134.481%0.81480%0.799SS**  trans118.7108.8149.500000115.6S324G322-S324 PolarHBondContact O-N 3.5Å
323N22.3Very low26.6Very low168 Ų168130.4 Ų130.490%0.89878%0.777SS**  trans-55.8120163.3-72.1-28.9000110.7
324S25.1Very low26.8Very low121 Ų121135.5 Ų135.585%0.84679%0.785SS**  trans-155.5110.9147-87.30000110.4G322G322-S324 PolarHBondContact O-N 3.5Å
325V24.3Very low26.8Very low122 Ų122138.8 Ų138.874%0.73979%0.787SS**  trans-69139.2163.8-173.50000107.6
326H26.2Very low27Very low149 Ų149136.2 Ų136.269%0.6977%0.772SS**  trans81.9115.5170.9-58.8-59000118
327N23.2Very low27.1Very low154 Ų154129.9 Ų129.982%0.82475%0.753SS**  -154.4116.9108.9-87.8-32.2000110.2E329N327-E329 PolarHBondContact O-N 3.35Å; N327-E329 VanDerWaalsContact O-N 3.17Å
328I26.7Very low27.5Very low147 Ų147130.3 Ų130.375%0.75474%0.742SS**  trans-71.1102.3164.1-66.3166.4000105I330I328-I330 HydrophobicContact CG2-CG1 4.46Å; I328-I330 PolarHBondContact O-N 2.86Å
329E22.9Very low27.6Very low170 Ų170125.2 Ų125.279%0.79472%0.723SS**  trans-64.899.9171-88.3-176.2151.600109N327 L331N327-E329 PolarHBondContact O-N 3.35Å; N327-E329 VanDerWaalsContact O-N 3.17Å; E329-L331 PolarHBondContact O-N 3.29Å; E329-L331 VanDerWaalsContact O-N 3.09Å
330I28.8Very low28.3Very low153 Ų153121.4 Ų121.479%0.78571%0.706SS**  trans-71.597.2164.8-58.5174.2000105.8I328I328-I330 HydrophobicContact CG2-CG1 4.46Å; I328-I330 PolarHBondContact O-N 2.86Å
331L31.3Very low28.9Very low135 Ų135119.5 Ų119.571%0.70769%0.692SS**PPolyproline II helixtrans-56.2140.2175.5-71.8162.6000110.4E329 M333E329-L331 PolarHBondContact O-N 3.29Å; E329-L331 VanDerWaalsContact O-N 3.09Å; L331-M333 PolarHBondContact O-N 3.14Å
332P28.7Very low29.8Very low125 Ų125117.7 Ų117.781%0.81267%0.666SS**PPolyproline II helixtrans-67.8126.3-171.124.9-31.5000111.7
333M30.3Very low30.7Very low104 Ų104123.4 Ų123.451%0.51267%0.669SS.*PPolyproline II helixtrans-76.9122.1178.5-61.1-146.5-63.900110.9L331 T356L331-M333 PolarHBondContact O-N 3.14Å; M333-T356 HydrophobicContact CE-CG2 3.86Å
334E36.1Very low31.3Very low165 Ų165126.6 Ų126.677%0.77167%0.669SS**PPolyproline II helixtrans-87136.9173.9-142.6174.8-171.900111.1L336E334-L336 PolarHBondContact O-N 3.27Å
335K31Very low32.1Very low168 Ų168125.8 Ų125.873%0.7365%0.654SS**EExtended strand (participates in β ladder)trans-80.8105.5-175.8-70.4177.8-179.1175.30109.7T354K335-T354 HydrophobicContact CB-CG2 4.09Å; K335-T354 HydrophobicContact CG-CG2 4.46Å
336L33.4Very low32.8Very low97 Ų97125.5 Ų125.551%0.50865%0.654SS.*EExtended strand (participates in β ladder)trans-88117.2169.3-109.7141.6000109.8E334 T355E334-L336 PolarHBondContact O-N 3.27Å; L336-T355 PolarHBondContact O-N 3.17Å
337C31.4Very low33.8Very low75 Ų75126.6 Ų126.651%0.50767%0.665SS.*EExtended strand (participates in β ladder)trans-88.6107.3177.6-171.60000108.6T352C337-T352 WeakPolarHBondContact SG-CG2 3.4Å
338V35Very low34.8Very low78 Ų78121.4 Ų121.447%0.47364%0.641SS.*EExtended strand (participates in β ladder)trans-102.1113.1176.6-176.60000108.2Y353V338-Y353 PolarHBondContact N-O 3.09Å; V338-Y353 PolarHBondContact O-N 2.95Å; V338-Y353 VanDerWaalsContact O-O 3.11Å
339T29.9Very low35.5Very low75 Ų75120.4 Ų120.446%0.4664%0.642SS.*EExtended strand (participates in β ladder)trans-94113.7176-50.60000108.4D350T339-D350 HydrophobicContact CG2-CB 3.77Å
340A37Very low36.4Very low56 Ų56116.5 Ų116.546%0.46363%0.626SS.*EExtended strand (participates in β ladder)trans-92.7105.7176.500000109.2L351A340-L351 PolarHBondContact N-O 2.93Å; A340-L351 VanDerWaalsContact N-O 3.17Å
341S35.6Very low37Very low85 Ų85114 Ų11459%0.59461%0.614SS**  trans-98.7124.5172.3-166.10000109.9D350S341-D350 WeakPolarHBondContact CA-OD1 3.43Å; S341-D350 WeakPolarHBondContact CB-OD1 3.32Å; S341-D350 PolarHBondContact OG-OD1 3.27Å
342S42.2Very low37.1Very low45 Ų45111 Ų11132%0.31560%0.602SS.*  trans-89.3113.5179.697.60000109.9W344 I345 S348S342-W344 PolarHBondContact O-N 2.92Å; S342-W344 VanDerWaalsContact O-N 3.11Å; S342-I345 WeakPolarHBondContact OG-CB 3.42Å; S342-I345 WeakPolarHBondContact OG-CG1 3.29Å; S342-I345 PolarHBondContact OG-N 3.38Å; S342-S348 PolarHBondContact OG-OG 2.92Å
343K42.3Very low37.4Very low199 Ų199112 Ų11287%0.86559%0.591SS**THydrogen-bonded Turntrans-67.7-7.9177.9-154.2177.7-176.9179.30113.5
344W36Very low37.4Very low236 Ų236111.4 Ų111.489%0.89459%0.593SS**THydrogen-bonded Turntrans-112.70.5-168.1-65.4103.8000114.4S342S342-W344 PolarHBondContact O-N 2.92Å; S342-W344 VanDerWaalsContact O-N 3.11Å
345I41.1Very low37.3Very low103 Ų103107.1 Ų107.153%0.52858%0.578SS.*SBendtrans-127102.2176-52.7174.1000107.7S342 D347 S348S342-I345 WeakPolarHBondContact OG-CB 3.42Å; S342-I345 WeakPolarHBondContact OG-CG1 3.29Å; S342-I345 PolarHBondContact OG-N 3.38Å; I345-D347 PolarHBondContact O-N 2.93Å; I345-S348 PolarHBondContact O-N 3.42Å
346P38.7Very low37.2Very low116 Ų116102.5 Ų102.575%0.75356%0.564SS**THydrogen-bonded Turntrans-59132.9169.5-12.526.6000108.3
347D47.4Very low37.5Very low172 Ų172101.6 Ų101.692%0.9256%0.562SS**THydrogen-bonded Turntrans71.916.5-179.6-55.4-27.8000118I345 T349I345-D347 PolarHBondContact O-N 2.93Å; D347-T349 PolarHBondContact O-N 2.78Å
348S45.4Very low37.6Very low45 Ų45104.4 Ų104.432%0.31557%0.572SS.*  trans-73.2115.9164.973.40000110.1S342 I345 D350S342-S348 PolarHBondContact OG-OG 2.92Å; I345-S348 PolarHBondContact O-N 3.42Å; S348-D350 PolarHBondContact O-N 2.76Å
349T41.4Very low37.9Very low126 Ų126106 Ų10677%0.77358%0.582SS**  trans-53.5127.5165.7340000109.6D347 L351D347-T349 PolarHBondContact O-N 2.78Å; T349-L351 PolarHBondContact O-N 3.28Å; T349-L351 VanDerWaalsContact O-N 3.15Å
350D42Very low38.1Very low88 Ų88107.6 Ų107.647%0.47159%0.592SS.*  trans-54.6120.8179.7-70.9-37.4000110T339 S341 S348 T352T339-D350 HydrophobicContact CG2-CB 3.77Å; S341-D350 WeakPolarHBondContact CA-OD1 3.43Å; S341-D350 WeakPolarHBondContact CB-OD1 3.32Å; S341-D350 PolarHBondContact OG-OD1 3.27Å; S348-D350 PolarHBondContact O-N 2.76Å; D350-T352 PolarHBondContact O-N 3.05Å
351L41.4Very low38Very low101 Ų101112.7 Ų112.753%0.52961%0.612SS.*EExtended strand (participates in β ladder)trans-86101.1176-92.8142.8000108.3A340 T349 Y353A340-L351 PolarHBondContact N-O 2.93Å; A340-L351 VanDerWaalsContact N-O 3.17Å; T349-L351 PolarHBondContact O-N 3.28Å; T349-L351 VanDerWaalsContact O-N 3.15Å; L351-Y353 HydrophobicContact CB-CD2 4.39Å; L351-Y353 HydrophobicContact CB-CE2 3.81Å; L351-Y353 HydrophobicContact CD2-CE2 4.17Å
352T33.7Very low37.8Very low73 Ų73112.2 Ų112.245%0.44862%0.62SS.*EExtended strand (participates in β ladder)trans-81.4114.6174.4-48.40000110.1C337 D350C337-T352 WeakPolarHBondContact SG-CG2 3.4Å; D350-T352 PolarHBondContact O-N 3.05Å
353Y34.2Very low37.1Very low146 Ų146122.4 Ų122.457%0.57365%0.651SS**EExtended strand (participates in β ladder)trans-106.4116.6171.5-68.4-84.1000109.5V338 L351V338-Y353 PolarHBondContact N-O 3.09Å; V338-Y353 PolarHBondContact O-N 2.95Å; V338-Y353 VanDerWaalsContact O-O 3.11Å; L351-Y353 HydrophobicContact CB-CD2 4.39Å; L351-Y353 HydrophobicContact CB-CE2 3.81Å; L351-Y353 HydrophobicContact CD2-CE2 4.17Å
354T29.4Very low36.4Very low91 Ų91118 Ų11856%0.55865%0.646SS**EExtended strand (participates in β ladder)trans-87.1114.9170.8-45.90000108.1K335K335-T354 HydrophobicContact CB-CG2 4.09Å; K335-T354 HydrophobicContact CG-CG2 4.46Å
355T34.2Very low35.8Very low74 Ų74114.6 Ų114.645%0.45465%0.645SS.*EExtended strand (participates in β ladder)trans-125.7139.7175.7-169.30000110.8L336 V357L336-T355 PolarHBondContact O-N 3.17Å; T355-V357 HydrophobicContact CG2-CG2 4.1Å
356T30Very low35.1Very low72 Ų72116.5 Ų116.544%0.44266%0.661SS.*EExtended strand (participates in β ladder)trans-90.8115.5-177.750.10000108.8M333M333-T356 HydrophobicContact CE-CG2 3.86Å
357V39.1Very low34.5Very low78 Ų78119.9 Ų119.947%0.47367%0.667SS.*  trans-124.5131-179.9-177.20000109.6T355 T359T355-V357 HydrophobicContact CG2-CG2 4.1Å; V357-T359 PolarHBondContact O-N 3.13Å
358N34Very low33.4Very low134 Ų134119.6 Ų119.672%0.71766%0.66SS**  trans-70.3109.7175-86.9-14.1000110.4
359T40.5Very low32.5Very low110 Ų110125.6 Ų125.668%0.67569%0.689SS**  trans-104.5117.9173.848.60000111.3V357V357-T359 PolarHBondContact O-N 3.13Å
360T33.7Very low31.8Very low110 Ų110125 Ų12568%0.67569%0.685SS**  trans-95.7136.3170.445.10000111.6
361N35.2Very low31.4Very low163 Ų163136.1 Ų136.187%0.87272%0.72SS**  trans68.4106.2165.8-71-4.9000118.3
362G31.1Very low30.9Very low74 Ų74137.9 Ų137.976%0.76373%0.73SS**  trans-70.5142.5173.700000114.2
363R27.8Very low30.8Very low259 Ų259141.3 Ų141.398%0.97774%0.744SS**  trans-13877.5141.8-105.9-178.3177.6177.90.3106.7N365R363-N365 PolarHBondContact O-N 2.84Å
364S27.7Very low30.6Very low107 Ų107141 Ų14175%0.74875%0.754SS**  trans-82.4105.216951.70000108.6
365N23.4Very low30.7Very low164 Ų164143.9 Ų143.988%0.87777%0.765SS**  trans-137.479.5153.4-91.7-26.9000105.9R363R363-N365 PolarHBondContact O-N 2.84Å
366V27.5Very low30.5Very low144 Ų144148.3 Ų148.387%0.87379%0.785SS**  trans-128.3106.8161.2-1770000106.3E368V366-E368 PolarHBondContact O-N 3.32Å
367Q25.2Very low30.5Very low187 Ų187153.4 Ų153.487%0.87481%0.808SS**  trans-64.7119.3-178.4-143.8167.6-0.300108.6N369Q367-N369 PolarHBondContact O-N 3.3Å
368E24.4Very low29.9Very low166 Ų166158.8 Ų158.878%0.77683%0.832SS**  trans-62.1115.3167.7-106.9177.2156.700108.9V366V366-E368 PolarHBondContact O-N 3.32Å
369N27.5Very low29.6Very low171 Ų171160.7 Ų160.791%0.91484%0.841SS**  trans-99.9105.5157-110.8-3.4000107.7Q367Q367-N369 PolarHBondContact O-N 3.3Å
370T26.4Very low28.6Very low113 Ų113164.9 Ų164.969%0.69385%0.854SS**  trans-89109.8175.733.40000109.8
371R33.9Very low28.2Very low321 Ų321169.9 Ų169.9100%1.21187%0.871SS**  162.60125.5-90.5-173.9-173-1783.9110.7

Retrieved 371 of 371 residues in 413.1 ms (Link to these results)