G4VP93_SCHMA Loading...

Putative geranylgeranyl pyrophosphate synthase

AlphaFold DB , UniProt , Accession G4VP93, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 338 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
1M42.2Very low52.1Low206 Ų206138.6 Ų138.6100%1.01573%0.733SS**  0960-90.4-176-73.900105.1
2D43.3Very low54.4Low131 Ų131142.4 Ų142.470%0.70174%0.738SS**  trans-70.5152.3-166.6-59.8-50.7000111.8E4D2-E4 HydrophobicContact CB-CG 4.44Å; D2-E4 PolarHBondContact O-N 2.75Å
3A47.1Very low56.6Low86 Ų86138.2 Ų138.271%0.71172%0.723SS**G310 helixtrans-56.40.8177.500000114.5R5 S6A3-R5 PolarHBondContact O-N 2.8Å; A3-S6 PolarHBondContact O-OG 3.37Å
4E46.3Very low58.9Low173 Ų173130.7 Ų130.781%0.80869%0.691SS**G310 helixtrans-64.1-19.8176.9-69.2-172.3154.800113.9D2 S6D2-E4 HydrophobicContact CB-CG 4.44Å; D2-E4 PolarHBondContact O-N 2.75Å; E4-S6 VanDerWaalsContact C-N 3.34Å; E4-S6 PolarHBondContact O-N 3.33Å
5R49.3Very low61Low242 Ų242125.8 Ų125.891%0.91366%0.663SS**G310 helixtrans-74.2-16.5-176.7-110.1-176.3-177.3-177.71.4115.4A3A3-R5 PolarHBondContact O-N 2.8Å
6S52.6Low62.9Low78 Ų78128.1 Ų128.155%0.54567%0.666SS.*G310 helixtrans-95.9-9.8179.661.80000114.3A3 E4 L8A3-S6 PolarHBondContact O-OG 3.37Å; E4-S6 VanDerWaalsContact C-N 3.34Å; E4-S6 PolarHBondContact O-N 3.33Å; S6-L8 PolarHBondContact O-N 3.18Å; S6-L8 PolarHBondContact OG-O 2.92Å
7G47.3Very low64.7Low75 Ų75126.3 Ų126.377%0.77366%0.661SS**SBendtrans59.91.9-177.900000114.9
8L54.6Low66.5Low126 Ų126121.1 Ų121.166%0.6664%0.635SS**  trans-112.5100.6173.1-75.3157.1000103.9S6 F10S6-L8 PolarHBondContact O-N 3.18Å; S6-L8 PolarHBondContact OG-O 2.92Å; L8-F10 PolarHBondContact O-N 2.85Å
9E55.4Low68.1Low194 Ų194115.9 Ų115.991%0.90761%0.608SS**  trans-56.796.8157.8-81.3-171.5158.200105.6D11E9-D11 PolarHBondContact O-N 2.75Å
10F60.3Low69.5Low120 Ų120115.3 Ų115.353%0.52660%0.602SS.*  trans-64.4106.8174.9-157.2-105000104.9L8 K12 A14 E15 V18L8-F10 PolarHBondContact O-N 2.85Å; F10-K12 PolarHBondContact O-N 3.35Å; F10-A14 HydrophobicContact CD1-CB 3.87Å; F10-A14 HydrophobicContact CD2-CB 4.49Å; F10-A14 VanDerWaalsContact CE1-C 3.45Å; F10-A14 HydrophobicContact CE1-CB 3.47Å; F10-A14 VanDerWaalsContact CE1-CB 3.47Å; F10-A14 HydrophobicContact CE2-CB 4.14Å; F10-A14 HydrophobicContact CG-CB 4.37Å; F10-A14 HydrophobicContact CZ-CB 3.61Å; F10-E15 HydrophobicContact CD1-CB 4.19Å; F10-E15 HydrophobicContact CE1-CB 4.37Å; F10-V18 HydrophobicContact CE1-CG2 4.32Å; F10-V18 HydrophobicContact CZ-CG2 4.14Å
11D74.9Confident70.9Confident94 Ų94109.9 Ų109.950%0.50357%0.574SS.*  trans-54.9138.3-177.2178.611000108.5E9 T13 A14 E15E9-D11 PolarHBondContact O-N 2.75Å; D11-T13 VanDerWaalsContact CG-OG1 3.32Å; D11-T13 PolarHBondContact O-N 3Å; D11-T13 PolarHBondContact OD1-N 3.26Å; D11-T13 PolarHBondContact OD1-OG1 3.24Å; D11-T13 WeakPolarHBondContact OD2-CB 3.12Å; D11-T13 PolarHBondContact OD2-OG1 3.48Å; D11-A14 WeakPolarHBondContact O-CA 3.39Å; D11-A14 WeakPolarHBondContact O-CB 3.45Å; D11-A14 PolarHBondContact O-N 3.12Å; D11-E15 PolarHBondContact O-N 2.8Å; D11-E15 VanDerWaalsContact O-N 3.12Å
12K79.6Confident73.5Confident184 Ų184101.1 Ų101.180%0.853%0.529SS*.Hα-helixtrans-52.2-26.9173.8-68.3179.6178.8175.40111.5F10 K16F10-K12 PolarHBondContact O-N 3.35Å; K12-K16 WeakPolarHBondContact O-CB 3.41Å; K12-K16 PolarHBondContact O-N 3.16Å; K12-K16 VanDerWaalsContact O-N 3.09Å
13T83.4Confident76.1Confident88 Ų8898 Ų9854%0.5452%0.518SS..Hα-helixtrans-63-46.3171.5-45.80000112.2D11 K16 V17D11-T13 VanDerWaalsContact CG-OG1 3.32Å; D11-T13 PolarHBondContact O-N 3Å; D11-T13 PolarHBondContact OD1-N 3.26Å; D11-T13 PolarHBondContact OD1-OG1 3.24Å; D11-T13 WeakPolarHBondContact OD2-CB 3.12Å; D11-T13 PolarHBondContact OD2-OG1 3.48Å; T13-K16 PolarHBondContact O-N 3.09Å; T13-V17 WeakPolarHBondContact O-CG2 3.45Å; T13-V17 PolarHBondContact O-N 3.37Å; T13-V17 VanDerWaalsContact O-N 3.16Å
14A88.6Confident78.4Confident33 Ų3396 Ų9627%0.27349%0.492SS..Hα-helixtrans-66.4-4117900000111.3F10 D11 K16 V17 V18F10-A14 HydrophobicContact CD1-CB 3.87Å; F10-A14 HydrophobicContact CD2-CB 4.49Å; F10-A14 VanDerWaalsContact CE1-C 3.45Å; F10-A14 HydrophobicContact CE1-CB 3.47Å; F10-A14 VanDerWaalsContact CE1-CB 3.47Å; F10-A14 HydrophobicContact CE2-CB 4.14Å; F10-A14 HydrophobicContact CG-CB 4.37Å; F10-A14 HydrophobicContact CZ-CB 3.61Å; D11-A14 WeakPolarHBondContact O-CA 3.39Å; D11-A14 WeakPolarHBondContact O-CB 3.45Å; D11-A14 PolarHBondContact O-N 3.12Å; A14-K16 VanDerWaalsContact C-N 3.31Å; A14-K16 PolarHBondContact O-N 3.5Å; A14-V17 PolarHBondContact O-N 3.01Å; A14-V17 VanDerWaalsContact O-N 3.16Å; A14-V18 WeakPolarHBondContact O-CG2 3.5Å; A14-V18 PolarHBondContact O-N 3.16Å
15E90.3Very high80.7Confident57 Ų5788 Ų8827%0.26646%0.455SS..Hα-helixtrans-56.8-45.9174.5-175.261.9-160.200111.4F10 D11 V17 V18 M19 Y100F10-E15 HydrophobicContact CD1-CB 4.19Å; F10-E15 HydrophobicContact CE1-CB 4.37Å; D11-E15 PolarHBondContact O-N 2.8Å; D11-E15 VanDerWaalsContact O-N 3.12Å; E15-V17 VanDerWaalsContact C-N 3.32Å; E15-V17 PolarHBondContact O-N 3.32Å; E15-V18 PolarHBondContact O-N 3.39Å; E15-M19 WeakPolarHBondContact O-CB 3.46Å; E15-M19 WeakPolarHBondContact O-CG 3.28Å; E15-M19 PolarHBondContact O-N 3.4Å; E15-Y100 VanDerWaalsContact OE1-CE1 3.28Å; E15-Y100 WeakPolarHBondContact OE1-CE1 3.46Å; E15-Y100 PolarHBondContact OE1-OH 3.18Å; E15-Y100 PolarHBondContact OE2-OH 3.2Å
16K91.7Very high82.7Confident163 Ų16379.2 Ų79.271%0.70943%0.43SS*.Hα-helixtrans-61.7-38.7177.8-174179.7176.6-174.60112.6K12 T13 A14 M19 E20K12-K16 WeakPolarHBondContact O-CB 3.41Å; K12-K16 PolarHBondContact O-N 3.16Å; K12-K16 VanDerWaalsContact O-N 3.09Å; T13-K16 PolarHBondContact O-N 3.09Å; A14-K16 VanDerWaalsContact C-N 3.31Å; A14-K16 PolarHBondContact O-N 3.5Å; K16-M19 PolarHBondContact O-N 3.4Å; K16-E20 PolarHBondContact O-N 3.16Å
17V93.9Very high84.4Confident97 Ų9778.9 Ų78.959%0.58843%0.427SS*.Hα-helixtrans-66.7-46.5177.4172.30000110.8T13 A14 E15 M19 E20T13-V17 WeakPolarHBondContact O-CG2 3.45Å; T13-V17 PolarHBondContact O-N 3.37Å; T13-V17 VanDerWaalsContact O-N 3.16Å; A14-V17 PolarHBondContact O-N 3.01Å; A14-V17 VanDerWaalsContact O-N 3.16Å; E15-V17 VanDerWaalsContact C-N 3.32Å; E15-V17 PolarHBondContact O-N 3.32Å; V17-M19 PolarHBondContact O-N 3.42Å; V17-E20 PolarHBondContact O-N 2.91Å
18V95.5Very high86Confident33 Ų3375.6 Ų75.620%0.239%0.392CS..Hα-helixtrans-61.5-36.2178.21710000111.6F10 A14 E15 S97 Y100F10-V18 HydrophobicContact CE1-CG2 4.32Å; F10-V18 HydrophobicContact CZ-CG2 4.14Å; A14-V18 WeakPolarHBondContact O-CG2 3.5Å; A14-V18 PolarHBondContact O-N 3.16Å; E15-V18 PolarHBondContact O-N 3.39Å; V18-S97 WeakPolarHBondContact O-CB 3.36Å; V18-S97 PolarHBondContact O-OG 3.21Å; V18-Y100 HydrophobicContact CG1-CD1 3.73Å; V18-Y100 HydrophobicContact CG1-CE1 4.26Å; V18-Y100 HydrophobicContact CG1-CG 4.12Å
19M97Very high86.6Confident23 Ų2377 Ų7711%0.11340%0.4CS..THydrogen-bonded Turntrans-90.74.5-176.5-70.7-63.4-79.600114.6E15 K16 V17 Y22 S23 Y100 L104E15-M19 WeakPolarHBondContact O-CB 3.46Å; E15-M19 WeakPolarHBondContact O-CG 3.28Å; E15-M19 PolarHBondContact O-N 3.4Å; K16-M19 PolarHBondContact O-N 3.4Å; V17-M19 PolarHBondContact O-N 3.42Å; M19-Y22 HydrophobicContact CE-CD1 3.26Å; M19-Y22 HydrophobicContact CE-CE1 3.83Å; M19-Y22 HydrophobicContact CE-CG 3.76Å; M19-Y22 PolarHBondContact O-N 2.99Å; M19-Y22 HydrophobicContact SD-CD1 4.47Å; M19-S23 VanDerWaalsContact O-CB 3.29Å; M19-S23 WeakPolarHBondContact O-CB 3.36Å; M19-S23 PolarHBondContact O-N 3.46Å; M19-S23 PolarHBondContact O-OG 2.99Å; M19-Y100 HydrophobicContact CG-CD1 4.26Å; M19-Y100 HydrophobicContact CG-CE1 4.27Å; M19-Y100 HydrophobicContact SD-CD1 3.6Å; M19-Y100 HydrophobicContact SD-CE1 4.06Å; M19-L104 HydrophobicContact CE-CD1 3.78Å; M19-L104 HydrophobicContact SD-CD1 4.04Å
20E97.4Very high87.1Confident103 Ų10369.8 Ų69.848%0.48138%0.378SS..Hα-helixtrans-61.9-47.7-176-166.6177.3-158.600113.3K16 V17 Y22 S23 Y24 F89K16-E20 PolarHBondContact O-N 3.16Å; V17-E20 PolarHBondContact O-N 2.91Å; E20-Y22 VanDerWaalsContact C-N 3.34Å; E20-Y22 PolarHBondContact O-N 3.49Å; E20-S23 PolarHBondContact O-N 3.5Å; E20-Y24 WeakPolarHBondContact O-CB 3.32Å; E20-Y24 PolarHBondContact O-N 3.41Å; E20-F89 HydrophobicContact CB-CE1 4.44Å; E20-F89 VanDerWaalsContact CD-CE1 3.43Å; E20-F89 HydrophobicContact CG-CD1 4.19Å; E20-F89 HydrophobicContact CG-CE1 3.52Å; E20-F89 HydrophobicContact CG-CZ 3.88Å
21P98.2Very high87.2Confident2 Ų270.1 Ų70.11%0.01338%0.38CS..Hα-helixtrans-60.1-41.5175.1-2333.8000113.2Y24 I25 A85 F89 P93P21-Y24 WeakPolarHBondContact O-CB 3.4Å; P21-Y24 PolarHBondContact O-N 3.3Å; P21-I25 PolarHBondContact O-N 2.99Å; P21-I25 VanDerWaalsContact O-N 3.17Å; P21-A85 HydrophobicContact CB-CB 4.18Å; P21-F89 HydrophobicContact CB-CD2 3.92Å; P21-F89 HydrophobicContact CB-CG 4.42Å; P21-F89 HydrophobicContact CG-CB 3.92Å; P21-F89 HydrophobicContact CG-CD2 3.96Å; P21-F89 HydrophobicContact CG-CG 3.96Å; P21-P93 HydrophobicContact CG-CB 4.4Å
22Y97.6Very high87.1Confident22 Ų2267.6 Ų67.69%0.08638%0.375CS..Hα-helixtrans-66.8-41.6176.9179.9-90000112.6M19 E20 Y24 I25 C26 M61 N64 I68 S97 A101M19-Y22 HydrophobicContact CE-CD1 3.26Å; M19-Y22 HydrophobicContact CE-CE1 3.83Å; M19-Y22 HydrophobicContact CE-CG 3.76Å; M19-Y22 PolarHBondContact O-N 2.99Å; M19-Y22 HydrophobicContact SD-CD1 4.47Å; E20-Y22 VanDerWaalsContact C-N 3.34Å; E20-Y22 PolarHBondContact O-N 3.49Å; Y22-Y24 VanDerWaalsContact C-N 3.29Å; Y22-Y24 PolarHBondContact O-N 3.25Å; Y22-I25 WeakPolarHBondContact O-CG2 3.37Å; Y22-I25 PolarHBondContact O-N 3.11Å; Y22-C26 WeakPolarHBondContact CE1-SG 3.29Å; Y22-C26 VanDerWaalsContact CZ-SG 3.51Å; Y22-C26 PolarHBondContact O-N 2.85Å; Y22-C26 VanDerWaalsContact O-N 3.11Å; Y22-C26 PolarHBondContact O-SG 3.18Å; Y22-M61 VanDerWaalsContact OH-CA 3.24Å; Y22-M61 WeakPolarHBondContact OH-CA 3.46Å; Y22-M61 VanDerWaalsContact OH-CG 3.3Å; Y22-M61 WeakPolarHBondContact OH-CG 3.38Å; Y22-N64 HydrophobicContact CE2-CB 3.79Å; Y22-I68 HydrophobicContact CD2-CD1 4.49Å; Y22-S97 WeakPolarHBondContact CB-OG 3.18Å; Y22-S97 PolarHBondContact N-OG 3.12Å; Y22-A101 HydrophobicContact CD2-CB 3.5Å; Y22-A101 HydrophobicContact CE2-CB 3.67Å; Y22-A101 HydrophobicContact CG-CB 4.11Å
23S96.5Very high86.9Confident65 Ų6560.7 Ų60.746%0.45535%0.347SS..Hα-helixtrans-64.1-38.1176.4-60.20000111M19 E20 C26 S27M19-S23 VanDerWaalsContact O-CB 3.29Å; M19-S23 WeakPolarHBondContact O-CB 3.36Å; M19-S23 PolarHBondContact O-N 3.46Å; M19-S23 PolarHBondContact O-OG 2.99Å; E20-S23 PolarHBondContact O-N 3.5Å; S23-C26 PolarHBondContact O-N 3.37Å; S23-S27 PolarHBondContact O-N 2.99Å
24Y96.8Very high86.6Confident44 Ų4459.9 Ų59.917%0.17333%0.334CS..Hα-helixtrans-60.4-50.5175.4172.7-102.9000112.1E20 P21 Y22 C26 S27 K82 P83 A85 I88 F89E20-Y24 WeakPolarHBondContact O-CB 3.32Å; E20-Y24 PolarHBondContact O-N 3.41Å; P21-Y24 WeakPolarHBondContact O-CB 3.4Å; P21-Y24 PolarHBondContact O-N 3.3Å; Y22-Y24 VanDerWaalsContact C-N 3.29Å; Y22-Y24 PolarHBondContact O-N 3.25Å; Y24-C26 VanDerWaalsContact C-N 3.26Å; Y24-C26 PolarHBondContact O-N 3.08Å; Y24-S27 WeakPolarHBondContact O-CB 3.43Å; Y24-S27 PolarHBondContact O-N 2.63Å; Y24-S27 PolarHBondContact O-OG 3.07Å; Y24-K82 WeakPolarHBondContact OH-CB 3.43Å; Y24-P83 WeakPolarHBondContact CE1-O 3.49Å; Y24-P83 PolarHBondContact OH-O 2.62Å; Y24-A85 HydrophobicContact CD1-CB 4.13Å; Y24-I88 HydrophobicContact CD1-CD1 4.42Å; Y24-I88 HydrophobicContact CD2-CD1 4.28Å; Y24-I88 HydrophobicContact CE1-CD1 3.77Å; Y24-I88 HydrophobicContact CE2-CD1 3.61Å; Y24-I88 WeakPolarHBondContact OH-CD1 3.35Å; Y24-F89 HydrophobicContact CD1-CE2 4.01Å; Y24-F89 HydrophobicContact CD2-CE2 4.41Å; Y24-F89 AromaticContact CG-CE2 3.74Å; Y24-F89 HydrophobicContact CG-CE2 3.74Å; Y24-F89 HydrophobicContact CG-CZ 4.22Å
25I93.5Very high86.3Confident6 Ų661.1 Ų61.13%0.03134%0.34CS..Hα-helixtrans-63.7-34.8178.6-163.2169.4000111.8P21 Y22 S27 T28 N64 L67 I68P21-I25 PolarHBondContact O-N 2.99Å; P21-I25 VanDerWaalsContact O-N 3.17Å; Y22-I25 WeakPolarHBondContact O-CG2 3.37Å; Y22-I25 PolarHBondContact O-N 3.11Å; I25-S27 VanDerWaalsContact C-N 3.27Å; I25-S27 PolarHBondContact O-N 2.95Å; I25-T28 PolarHBondContact O-N 2.79Å; I25-T28 VanDerWaalsContact O-N 3.14Å; I25-T28 PolarHBondContact O-OG1 3.33Å; I25-N64 HydrophobicContact CG2-CB 3.9Å; I25-L67 HydrophobicContact CD1-CB 3.54Å; I25-L67 HydrophobicContact CD1-CD1 4.14Å; I25-I68 HydrophobicContact CB-CD1 4.31Å; I25-I68 HydrophobicContact CB-CG1 4.23Å; I25-I68 HydrophobicContact CD1-CG1 3.83Å; I25-I68 HydrophobicContact CG2-CD1 3.68Å; I25-I68 HydrophobicContact CG2-CG1 3.97Å
26C92.3Very high86.3Confident57 Ų5760.2 Ų60.239%0.38534%0.343SS..Hα-helixtrans-65.2-30.1175.6-67.60000112.8Y22 S23 Y24 T28 N64Y22-C26 WeakPolarHBondContact CE1-SG 3.29Å; Y22-C26 VanDerWaalsContact CZ-SG 3.51Å; Y22-C26 PolarHBondContact O-N 2.85Å; Y22-C26 VanDerWaalsContact O-N 3.11Å; Y22-C26 PolarHBondContact O-SG 3.18Å; S23-C26 PolarHBondContact O-N 3.37Å; Y24-C26 VanDerWaalsContact C-N 3.26Å; Y24-C26 PolarHBondContact O-N 3.08Å; C26-T28 PolarHBondContact O-N 3.24Å; C26-N64 PolarHBondContact SG-ND2 2.9Å
27S88.7Confident86.2Confident70 Ų7052.8 Ų52.849%0.4931%0.311SS..THydrogen-bonded Turntrans-72.6-9.2175.681.70000114S23 Y24 I25S23-S27 PolarHBondContact O-N 2.99Å; Y24-S27 WeakPolarHBondContact O-CB 3.43Å; Y24-S27 PolarHBondContact O-N 2.63Å; Y24-S27 PolarHBondContact O-OG 3.07Å; I25-S27 VanDerWaalsContact C-N 3.27Å; I25-S27 PolarHBondContact O-N 2.95Å
28T79.5Confident86.2Confident7 Ų748.9 Ų48.94%0.04329%0.287CS..SBendtrans-92.2126.5177.872.20000110.2I25 C26 G30 R80 K82I25-T28 PolarHBondContact O-N 2.79Å; I25-T28 VanDerWaalsContact O-N 3.14Å; I25-T28 PolarHBondContact O-OG1 3.33Å; C26-T28 PolarHBondContact O-N 3.24Å; T28-G30 PolarHBondContact O-N 3.33Å; T28-G30 VanDerWaalsContact O-N 3.15Å; T28-R80 PolarHBondContact O-NH1 2.78Å; T28-R80 WeakPolarHBondContact OG1-CD 3.15Å; T28-R80 PolarHBondContact OG1-NH1 2.94Å; T28-R80 VanDerWaalsContact OG1-NH1 3.08Å; T28-K82 HydrophobicContact CG2-CD 3.87Å
29N68.2Low86.1Confident155 Ų15549.5 Ų49.583%0.82930%0.296SS*.PPolyproline II helixtrans-64.6116.7-177.2-74.5-19.8000111.7R80N29-R80 WeakPolarHBondContact O-CD 3.27Å
30G65.7Low86.1Confident43 Ų4348.4 Ų48.444%0.44329%0.29SS..PPolyproline II helixtrans-84.5163.416600000112T28 G32T28-G30 PolarHBondContact O-N 3.33Å; T28-G30 VanDerWaalsContact O-N 3.15Å; G30-G32 PolarHBondContact O-N 3.38Å; G30-G32 VanDerWaalsContact O-N 3.1Å
31K62.3Low86.1Confident127 Ų12743.8 Ų43.855%0.55227%0.269SS*.  trans-70.62.9179-72.2-171.8176.4-176.60114.8I33K31-I33 HydrophobicContact CB-CD1 3.81Å; K31-I33 HydrophobicContact CB-CG1 3.98Å; K31-I33 HydrophobicContact CD-CD1 3.92Å; K31-I33 PolarHBondContact O-N 2.95Å
32G72.3Confident86.1Confident40 Ų4045 Ų4541%0.41228%0.275SS..SBendtrans63.94-178.500000115.8G30 R34 S35 A36G30-G32 PolarHBondContact O-N 3.38Å; G30-G32 VanDerWaalsContact O-N 3.1Å; G32-R34 VanDerWaalsContact C-N 3.27Å; G32-R34 PolarHBondContact O-N 3.47Å; G32-S35 PolarHBondContact O-N 2.76Å; G32-A36 PolarHBondContact O-N 3.03Å
33I76.7Confident86.1Confident40 Ų4049.5 Ų49.521%0.20529%0.293CS..Hα-helixtrans-54.3-40.7-176.2-78.8167.5000112.5K31 A36 L37 Y190 L297K31-I33 HydrophobicContact CB-CD1 3.81Å; K31-I33 HydrophobicContact CB-CG1 3.98Å; K31-I33 HydrophobicContact CD-CD1 3.92Å; K31-I33 PolarHBondContact O-N 2.95Å; I33-A36 WeakPolarHBondContact O-CB 3.36Å; I33-A36 PolarHBondContact O-N 3.5Å; I33-L37 HydrophobicContact CG2-CD1 4.12Å; I33-L37 WeakPolarHBondContact O-CG 3.25Å; I33-L37 PolarHBondContact O-N 3.39Å; I33-Y190 HydrophobicContact CD1-CE1 4.23Å; I33-Y190 HydrophobicContact CG2-CE1 3.78Å; I33-Y190 WeakPolarHBondContact CG2-OH 3.3Å; I33-L297 HydrophobicContact CD1-CD2 3.98Å
34R75.8Confident86.2Confident71 Ų7147.7 Ų47.727%0.26828%0.276SS..Hα-helixtrans-69.6-43.1-177.9-74.2175174.871.15.5112.1G32 A36 L37 V38 H63 F162G32-R34 VanDerWaalsContact C-N 3.27Å; G32-R34 PolarHBondContact O-N 3.47Å; R34-A36 VanDerWaalsContact C-N 3.25Å; R34-A36 PolarHBondContact O-N 3.25Å; R34-L37 PolarHBondContact O-N 3.32Å; R34-L37 VanDerWaalsContact O-N 3.15Å; R34-V38 WeakPolarHBondContact O-CG2 3.44Å; R34-V38 PolarHBondContact O-N 3.33Å; R34-H63 VanDerWaalsContact CZ-ND1 3.35Å; R34-H63 VanDerWaalsContact CZ-NE2 3.28Å; R34-H63 VanDerWaalsContact NE-CG 3.31Å; R34-H63 PolarHBondContact NE-ND1 3.47Å; R34-H63 PolarHBondContact NH1-CE1 2.88Å; R34-H63 VanDerWaalsContact NH1-CE1 3.26Å; R34-H63 PolarHBondContact NH1-NE2 3.5Å; R34-H63 PolarHBondContact NH2-CE1 3.35Å; R34-H63 VanDerWaalsContact NH2-CE1 3.26Å; R34-H63 PolarHBondContact NH2-ND1 3Å; R34-F162 HydrophobicContact CG-CE1 4.49Å
35S83.3Confident86.3Confident58 Ų5845.8 Ų45.841%0.40627%0.269SS..Hα-helixtrans-60.5-39.1172.4-51.10000111.1G32 V38 A39G32-S35 PolarHBondContact O-N 2.76Å; S35-V38 PolarHBondContact O-N 3.26Å; S35-A39 WeakPolarHBondContact O-CB 3.25Å; S35-A39 PolarHBondContact O-N 2.9Å
36A88.9Confident86.5Confident39 Ų3953.6 Ų53.632%0.32230%0.303SS..Hα-helixtrans-64.6-40174.100000112.3G32 I33 R34 A39 A40 V293G32-A36 PolarHBondContact O-N 3.03Å; I33-A36 WeakPolarHBondContact O-CB 3.36Å; I33-A36 PolarHBondContact O-N 3.5Å; R34-A36 VanDerWaalsContact C-N 3.25Å; R34-A36 PolarHBondContact O-N 3.25Å; A36-A39 PolarHBondContact O-N 3.36Å; A36-A40 WeakPolarHBondContact O-CB 3.46Å; A36-A40 PolarHBondContact O-N 3.11Å; A36-V293 HydrophobicContact CB-CG2 3.69Å
37L90.9Very high86.8Confident7 Ų751.2 Ų51.24%0.03729%0.286CS..Hα-helixtrans-65.8-44175-75.6171.2000112.3I33 R34 A39 A40 F41 F162 Y190 L290 V293I33-L37 HydrophobicContact CG2-CD1 4.12Å; I33-L37 WeakPolarHBondContact O-CG 3.25Å; I33-L37 PolarHBondContact O-N 3.39Å; R34-L37 PolarHBondContact O-N 3.32Å; R34-L37 VanDerWaalsContact O-N 3.15Å; L37-A39 PolarHBondContact O-N 3.33Å; L37-A40 PolarHBondContact O-N 2.81Å; L37-F41 WeakPolarHBondContact O-CD2 3.49Å; L37-F41 PolarHBondContact O-N 3.43Å; L37-F162 HydrophobicContact CD1-CD1 4.09Å; L37-F162 HydrophobicContact CD1-CE1 3.36Å; L37-F162 HydrophobicContact CD1-CZ 3.63Å; L37-Y190 HydrophobicContact CD1-CE2 4Å; L37-L290 HydrophobicContact CD2-CD1 3.62Å; L37-V293 HydrophobicContact CD2-CG1 3.84Å; L37-V293 HydrophobicContact CG-CG1 4.22Å
38V93.1Very high87.1Confident15 Ų1551.1 Ų51.19%0.09128%0.284CS..Hα-helixtrans-59.5-47.7175.7170.70000110.3R34 S35 A40 F41 N42 L52 M169R34-V38 WeakPolarHBondContact O-CG2 3.44Å; R34-V38 PolarHBondContact O-N 3.33Å; S35-V38 PolarHBondContact O-N 3.26Å; V38-A40 VanDerWaalsContact C-N 3.33Å; V38-A40 PolarHBondContact O-N 2.91Å; V38-F41 PolarHBondContact O-N 3.44Å; V38-N42 WeakPolarHBondContact O-CB 3.45Å; V38-N42 PolarHBondContact O-N 2.87Å; V38-L52 HydrophobicContact CG1-CD1 3.6Å; V38-L52 HydrophobicContact CG1-CG 4.23Å; V38-M169 HydrophobicContact CG1-SD 4.2Å; V38-M169 WeakPolarHBondContact O-CE 3.31Å
39A93.6Very high87.9Confident45 Ų4557.1 Ų57.137%0.37231%0.311SS..Hα-helixtrans-61-41.7175.300000112.1S35 A36 L37 N42 Y43S35-A39 WeakPolarHBondContact O-CB 3.25Å; S35-A39 PolarHBondContact O-N 2.9Å; A36-A39 PolarHBondContact O-N 3.36Å; L37-A39 PolarHBondContact O-N 3.33Å; A39-N42 WeakPolarHBondContact O-CB 3.34Å; A39-N42 PolarHBondContact O-N 2.96Å; A39-Y43 PolarHBondContact O-N 3.5Å; A39-Y43 VanDerWaalsContact O-N 3.15Å
40A96.9Very high89.2Confident0 Ų053.1 Ų53.10%030%0.296CS..Hα-helixtrans-63.6-46.2178.700000112.1A36 L37 V38 N42 Y43 N287 L289 L290A36-A40 WeakPolarHBondContact O-CB 3.46Å; A36-A40 PolarHBondContact O-N 3.11Å; L37-A40 PolarHBondContact O-N 2.81Å; V38-A40 VanDerWaalsContact C-N 3.33Å; V38-A40 PolarHBondContact O-N 2.91Å; A40-N42 VanDerWaalsContact C-N 3.27Å; A40-N42 PolarHBondContact O-N 3.47Å; A40-Y43 WeakPolarHBondContact O-CB 3.49Å; A40-Y43 PolarHBondContact O-N 2.86Å; A40-N287 PolarHBondContact O-ND2 2.98Å; A40-L289 HydrophobicContact CB-CB 3.85Å; A40-L290 HydrophobicContact CB-CB 3.93Å; A40-L290 HydrophobicContact CB-CD1 4.08Å
41F97.7Very high90.6Very high7 Ų752.6 Ų52.63%0.03128%0.282CS..Hα-helixtrans-66.3-31.8173.5-83.1-80.2000111.9L37 V38 Y43 W44 L45 V166 M169 Y179 L182 L183 I186 L290L37-F41 WeakPolarHBondContact O-CD2 3.49Å; L37-F41 PolarHBondContact O-N 3.43Å; V38-F41 PolarHBondContact O-N 3.44Å; F41-Y43 PolarHBondContact O-N 3.43Å; F41-W44 HydrophobicContact CD1-CE3 4.09Å; F41-W44 HydrophobicContact CD1-CZ3 4.22Å; F41-W44 HydrophobicContact CE1-CE3 4.36Å; F41-W44 HydrophobicContact CE1-CZ3 4.06Å; F41-W44 PolarHBondContact O-N 2.95Å; F41-W44 VanDerWaalsContact O-N 3.08Å; F41-L45 HydrophobicContact CB-CD1 4.35Å; F41-L45 WeakPolarHBondContact O-CG 3.22Å; F41-L45 PolarHBondContact O-N 2.94Å; F41-V166 HydrophobicContact CB-CG2 4.22Å; F41-V166 HydrophobicContact CD1-CG1 4.4Å; F41-V166 HydrophobicContact CD1-CG2 3.62Å; F41-V166 HydrophobicContact CD2-CG2 3.8Å; F41-V166 HydrophobicContact CE1-CG2 3.87Å; F41-V166 HydrophobicContact CE2-CG2 4.04Å; F41-V166 HydrophobicContact CG-CG2 3.6Å; F41-V166 HydrophobicContact CZ-CG2 4.08Å; F41-M169 HydrophobicContact CB-CE 4.12Å; F41-M169 HydrophobicContact CB-SD 4.4Å; F41-Y179 HydrophobicContact CD1-CG 4.49Å; F41-Y179 HydrophobicContact CE1-CD1 4.19Å; F41-Y179 HydrophobicContact CE1-CG 4.03Å; F41-L182 HydrophobicContact CE1-CD2 4.35Å; F41-L182 HydrophobicContact CZ-CD2 4.33Å; F41-L183 HydrophobicContact CE1-CD2 4.19Å; F41-L183 HydrophobicContact CE2-CD2 3.79Å; F41-L183 HydrophobicContact CZ-CD2 3.43Å; F41-L183 VanDerWaalsContact CZ-CD2 3.43Å; F41-L183 HydrophobicContact CZ-CG 4.12Å; F41-I186 HydrophobicContact CE2-CD1 4.42Å; F41-I186 HydrophobicContact CZ-CD1 4.3Å; F41-L290 HydrophobicContact CE2-CD2 4.48Å; F41-L290 HydrophobicContact CZ-CD2 4.32Å
42N98Very high92.1Very high28 Ų2847.2 Ų47.215%0.1526%0.26CS..Hα-helixtrans-65.7-23.6177-156.646.5000113.2V38 A39 A40 W44 L45 K46 V47 L52 M169V38-N42 WeakPolarHBondContact O-CB 3.45Å; V38-N42 PolarHBondContact O-N 2.87Å; A39-N42 WeakPolarHBondContact O-CB 3.34Å; A39-N42 PolarHBondContact O-N 2.96Å; A40-N42 VanDerWaalsContact C-N 3.27Å; A40-N42 PolarHBondContact O-N 3.47Å; N42-W44 PolarHBondContact O-N 3.41Å; N42-L45 PolarHBondContact O-N 3.32Å; N42-K46 WeakPolarHBondContact O-CA 3.23Å; N42-K46 PolarHBondContact O-N 3.22Å; N42-V47 VanDerWaalsContact OD1-CB 3.29Å; N42-V47 WeakPolarHBondContact OD1-CB 3.37Å; N42-V47 PolarHBondContact OD1-N 3.45Å; N42-L52 HydrophobicContact CB-CD1 3.98Å; N42-L52 HydrophobicContact CB-CD2 4.11Å; N42-L52 WeakPolarHBondContact ND2-CD2 3.23Å; N42-M169 HydrophobicContact CB-CE 3.61Å
43Y97.9Very high93.2Very high116 Ų11653 Ų5346%0.45527%0.269SS..Hα-helixtrans-53.7-38.7171.1-176-96000112.1A39 A40 F41 N286 N287 P288A39-Y43 PolarHBondContact O-N 3.5Å; A39-Y43 VanDerWaalsContact O-N 3.15Å; A40-Y43 WeakPolarHBondContact O-CB 3.49Å; A40-Y43 PolarHBondContact O-N 2.86Å; F41-Y43 PolarHBondContact O-N 3.43Å; Y43-N286 WeakPolarHBondContact CE1-O 3.45Å; Y43-N287 HydrophobicContact CD1-CB 4.18Å; Y43-P288 HydrophobicContact CE2-CG 4.4Å
44W98.3Very high94.1Very high26 Ų2652.6 Ų52.610%0.09827%0.268CS..Hα-helixtrans-89.4-36176.5-69.4-42000114F41 N42 N175 Y179 L182 I281 G285 N287 L290F41-W44 HydrophobicContact CD1-CE3 4.09Å; F41-W44 HydrophobicContact CD1-CZ3 4.22Å; F41-W44 HydrophobicContact CE1-CE3 4.36Å; F41-W44 HydrophobicContact CE1-CZ3 4.06Å; F41-W44 PolarHBondContact O-N 2.95Å; F41-W44 VanDerWaalsContact O-N 3.08Å; N42-W44 PolarHBondContact O-N 3.41Å; W44-N175 PolarHBondContact O-ND2 3.48Å; W44-Y179 WeakPolarHBondContact CB-OH 3.32Å; W44-Y179 HydrophobicContact CD2-CE1 4.01Å; W44-Y179 HydrophobicContact CE3-CD1 4.18Å; W44-Y179 AromaticContact CE3-CE1 3.43Å; W44-Y179 HydrophobicContact CE3-CE1 3.43Å; W44-Y179 VanDerWaalsContact CE3-CE1 3.43Å; W44-Y179 AromaticContact CE3-CZ 3.73Å; W44-Y179 HydrophobicContact CH2-CE1 4.33Å; W44-Y179 HydrophobicContact CZ3-CD1 4.04Å; W44-Y179 AromaticContact CZ3-CE1 3.64Å; W44-Y179 HydrophobicContact CZ3-CE1 3.64Å; W44-L182 HydrophobicContact CH2-CD2 3.67Å; W44-L182 HydrophobicContact CZ3-CD2 3.66Å; W44-I281 HydrophobicContact CZ2-CG2 4.42Å; W44-G285 WeakPolarHBondContact CZ2-O 3.1Å; W44-G285 PolarHBondContact NE1-O 3.49Å; W44-N287 HydrophobicContact CD2-CB 4.35Å; W44-N287 HydrophobicContact CH2-CB 3.91Å; W44-N287 HydrophobicContact CZ2-CB 3.31Å; W44-L290 HydrophobicContact CH2-CD2 3.84Å; W44-L290 HydrophobicContact CZ3-CD2 3.77Å
45L98.3Very high95Very high4 Ų449.2 Ų49.22%0.02126%0.255CS..Hα-helixtrans-87.6-25.2-171.1-63.2177.4000113.3F41 N42 V47 V166 M169 Q170 S173 N175 Y179F41-L45 HydrophobicContact CB-CD1 4.35Å; F41-L45 WeakPolarHBondContact O-CG 3.22Å; F41-L45 PolarHBondContact O-N 2.94Å; N42-L45 PolarHBondContact O-N 3.32Å; L45-V47 HydrophobicContact CB-CG2 4.06Å; L45-V47 PolarHBondContact O-N 2.97Å; L45-V166 HydrophobicContact CD1-CG1 4.31Å; L45-M169 HydrophobicContact CB-CE 4.4Å; L45-M169 HydrophobicContact CD1-CB 3.53Å; L45-M169 HydrophobicContact CD1-CE 3.9Å; L45-M169 HydrophobicContact CD1-SD 4.28Å; L45-Q170 HydrophobicContact CD1-CG 4.19Å; L45-Q170 HydrophobicContact CD2-CG 3.79Å; L45-S173 WeakPolarHBondContact O-CB 3.38Å; L45-S173 PolarHBondContact O-OG 3.05Å; L45-N175 HydrophobicContact CD2-CB 4.07Å; L45-N175 WeakPolarHBondContact CD2-O 3.36Å; L45-Y179 HydrophobicContact CD2-CE2 3.9Å
46K98.2Very high95.5Very high171 Ų17147.9 Ų47.974%0.74325%0.246SC*.  trans50.641.4175.7-57.1-179.2-179.71770113.7N42N42-K46 WeakPolarHBondContact O-CA 3.23Å; N42-K46 PolarHBondContact O-N 3.22Å
47V97.6Very high95.8Very high6 Ų649 Ų494%0.03625%0.247CC..  trans-66.3141.1177.6178.80000109.8N42 L45 E49 I51 L52 M169 F172N42-V47 VanDerWaalsContact OD1-CB 3.29Å; N42-V47 WeakPolarHBondContact OD1-CB 3.37Å; N42-V47 PolarHBondContact OD1-N 3.45Å; L45-V47 HydrophobicContact CB-CG2 4.06Å; L45-V47 PolarHBondContact O-N 2.97Å; V47-E49 PolarHBondContact O-N 3.21Å; V47-I51 HydrophobicContact CG1-CB 3.9Å; V47-I51 HydrophobicContact CG1-CG2 3.89Å; V47-L52 HydrophobicContact CG1-CB 4.39Å; V47-M169 HydrophobicContact CG2-CB 3.8Å; V47-M169 HydrophobicContact CG2-CE 4.49Å; V47-M169 HydrophobicContact CG2-CG 4.32Å; V47-M169 WeakPolarHBondContact CG2-O 3.29Å; V47-F172 HydrophobicContact CG1-CB 3.96Å
48P96.6Very high96Very high69 Ų6948.7 Ų48.745%0.44825%0.245SC..  trans-54.9136.6174.6-26.534.9000112.6S50 I51 L52P48-S50 VanDerWaalsContact C-N 3.27Å; P48-S50 PolarHBondContact O-N 3.2Å; P48-S50 VanDerWaalsContact O-N 3.16Å; P48-I51 HydrophobicContact CB-CG1 4.25Å; P48-I51 WeakPolarHBondContact O-CB 3.46Å; P48-I51 PolarHBondContact O-N 3.43Å; P48-L52 PolarHBondContact O-N 3.04Å
49E95.6Very high96Very high133 Ų13348.3 Ų48.362%0.62124%0.243SC*.Hα-helixtrans-55.3-39.1-172.5-174.358-14900113.6V47 I51 L52 R53V47-E49 PolarHBondContact O-N 3.21Å; E49-I51 VanDerWaalsContact C-N 3.31Å; E49-I51 PolarHBondContact O-N 3.01Å; E49-L52 PolarHBondContact O-N 3.11Å; E49-R53 WeakPolarHBondContact O-CB 3.44Å; E49-R53 PolarHBondContact O-N 3.22Å
50S94.8Very high96Very high71 Ų7149 Ų4950%0.49724%0.238SC..Hα-helixtrans-61-40177.853.80000112.5P48 V54P48-S50 VanDerWaalsContact C-N 3.27Å; P48-S50 PolarHBondContact O-N 3.2Å; P48-S50 VanDerWaalsContact O-N 3.16Å; S50-V54 WeakPolarHBondContact O-CG2 3.21Å; S50-V54 PolarHBondContact O-N 3.46Å
51I95.3Very high96Very high31 Ų3150 Ų5016%0.15924%0.243CC..Hα-helixtrans-76.3-43.1178.7-54.8-64.2000110.3V47 P48 E49 R53 V54 I55 L112 F172V47-I51 HydrophobicContact CG1-CB 3.9Å; V47-I51 HydrophobicContact CG1-CG2 3.89Å; P48-I51 HydrophobicContact CB-CG1 4.25Å; P48-I51 WeakPolarHBondContact O-CB 3.46Å; P48-I51 PolarHBondContact O-N 3.43Å; E49-I51 VanDerWaalsContact C-N 3.31Å; E49-I51 PolarHBondContact O-N 3.01Å; I51-R53 VanDerWaalsContact C-N 3.26Å; I51-R53 PolarHBondContact O-N 3.39Å; I51-V54 PolarHBondContact O-N 3.26Å; I51-V54 VanDerWaalsContact O-N 3.11Å; I51-I55 HydrophobicContact CG2-CD1 3.87Å; I51-I55 HydrophobicContact CG2-CG1 4.43Å; I51-I55 WeakPolarHBondContact O-CG1 3.41Å; I51-I55 PolarHBondContact O-N 3.26Å; I51-L112 HydrophobicContact CD1-CD2 3.73Å; I51-L112 HydrophobicContact CG2-CD1 4.4Å; I51-L112 HydrophobicContact CG2-CD2 4.44Å; I51-F172 HydrophobicContact CD1-CE1 4.36Å; I51-F172 HydrophobicContact CG1-CD1 4.38Å; I51-F172 HydrophobicContact CG2-CB 4.17Å; I51-F172 HydrophobicContact CG2-CD1 4Å; I51-F172 HydrophobicContact CG2-CD2 3.6Å; I51-F172 HydrophobicContact CG2-CE1 4.25Å; I51-F172 HydrophobicContact CG2-CE2 3.91Å; I51-F172 HydrophobicContact CG2-CG 3.66Å; I51-F172 HydrophobicContact CG2-CZ 4.22Å
52L95.4Very high95.9Very high15 Ų1549.8 Ų49.88%0.07924%0.242CC..Hα-helixtrans-56.3-43.2177.1-174.571.2000111.3V38 N42 V47 P48 E49 V54 I55 S56 M169V38-L52 HydrophobicContact CG1-CD1 3.6Å; V38-L52 HydrophobicContact CG1-CG 4.23Å; N42-L52 HydrophobicContact CB-CD1 3.98Å; N42-L52 HydrophobicContact CB-CD2 4.11Å; N42-L52 WeakPolarHBondContact ND2-CD2 3.23Å; V47-L52 HydrophobicContact CG1-CB 4.39Å; P48-L52 PolarHBondContact O-N 3.04Å; E49-L52 PolarHBondContact O-N 3.11Å; L52-V54 PolarHBondContact O-N 2.86Å; L52-I55 PolarHBondContact O-N 2.75Å; L52-S56 VanDerWaalsContact O-CB 3.3Å; L52-S56 WeakPolarHBondContact O-CB 3.3Å; L52-S56 PolarHBondContact O-N 3.05Å; L52-M169 HydrophobicContact CD1-CE 3.59Å; L52-M169 HydrophobicContact CD1-CG 4.35Å; L52-M169 HydrophobicContact CD1-SD 4.25Å
53R94.6Very high95.7Very high160 Ų16049.1 Ų49.160%0.60424%0.238SC*.Hα-helixtrans-60.6-44.7176.3-175.5174.662176.70112E49 I51 S56 D57E49-R53 WeakPolarHBondContact O-CB 3.44Å; E49-R53 PolarHBondContact O-N 3.22Å; I51-R53 VanDerWaalsContact C-N 3.26Å; I51-R53 PolarHBondContact O-N 3.39Å; R53-S56 PolarHBondContact O-N 3.33Å; R53-D57 WeakPolarHBondContact O-CB 3.39Å; R53-D57 VanDerWaalsContact O-CG 3.3Å; R53-D57 PolarHBondContact O-N 3.45Å
54V95.2Very high95.5Very high32 Ų3244 Ų4419%0.19422%0.218CC..Hα-helixtrans-61.7-45.7177.1174.60000110.9S50 I51 L52 D57 V58 K108 L112S50-V54 WeakPolarHBondContact O-CG2 3.21Å; S50-V54 PolarHBondContact O-N 3.46Å; I51-V54 PolarHBondContact O-N 3.26Å; I51-V54 VanDerWaalsContact O-N 3.11Å; L52-V54 PolarHBondContact O-N 2.86Å; V54-D57 PolarHBondContact O-N 3.44Å; V54-V58 VanDerWaalsContact O-CG2 3.25Å; V54-V58 WeakPolarHBondContact O-CG2 3.48Å; V54-V58 PolarHBondContact O-N 2.64Å; V54-K108 HydrophobicContact CG1-CG 4.03Å; V54-L112 HydrophobicContact CB-CD2 4.01Å; V54-L112 HydrophobicContact CG1-CD1 4.03Å; V54-L112 HydrophobicContact CG1-CD2 3.78Å; V54-L112 HydrophobicContact CG1-CG 3.96Å; V54-L112 HydrophobicContact CG2-CD2 4.18Å
55I95.3Very high95.5Very high0 Ų042.7 Ų42.70%021%0.214CC..Hα-helixtrans-63.8-45.1178.1-65168.6000110.6I51 L52 D57 V58 I59 L112 L168 M169 F172I51-I55 HydrophobicContact CG2-CD1 3.87Å; I51-I55 HydrophobicContact CG2-CG1 4.43Å; I51-I55 WeakPolarHBondContact O-CG1 3.41Å; I51-I55 PolarHBondContact O-N 3.26Å; L52-I55 PolarHBondContact O-N 2.75Å; I55-D57 PolarHBondContact O-N 3.25Å; I55-V58 PolarHBondContact O-N 3.39Å; I55-I59 HydrophobicContact CG2-CG1 4.25Å; I55-I59 VanDerWaalsContact O-CG1 3.31Å; I55-I59 WeakPolarHBondContact O-CG1 3.38Å; I55-I59 PolarHBondContact O-N 3.01Å; I55-L112 HydrophobicContact CG1-CD1 4.38Å; I55-L168 HydrophobicContact CD1-CB 3.97Å; I55-L168 HydrophobicContact CG1-CB 4.13Å; I55-L168 HydrophobicContact CG2-CB 4.03Å; I55-L168 HydrophobicContact CG2-CD1 4.25Å; I55-M169 HydrophobicContact CD1-CG 4.01Å; I55-M169 HydrophobicContact CG2-CG 4.15Å; I55-F172 HydrophobicContact CD1-CD2 4.35Å
56S94.2Very high95.4Very high30 Ų3043.7 Ų43.721%0.2122%0.221CC..Hα-helixtrans-59.9-45.2178.4-1770000111.8L52 R53 V58 I59 Q60L52-S56 VanDerWaalsContact O-CB 3.3Å; L52-S56 WeakPolarHBondContact O-CB 3.3Å; L52-S56 PolarHBondContact O-N 3.05Å; R53-S56 PolarHBondContact O-N 3.33Å; S56-V58 PolarHBondContact O-N 3.07Å; S56-I59 PolarHBondContact O-N 3.32Å; S56-Q60 WeakPolarHBondContact O-CB 3.43Å; S56-Q60 PolarHBondContact O-N 2.91Å
57D93.9Very high95.2Very high64 Ų6436.3 Ų36.334%0.34219%0.189SC..Hα-helixtrans-57.3-49.7175.1-78.21.6000110.9R53 V54 I55 I59 Q60 M61 K108R53-D57 WeakPolarHBondContact O-CB 3.39Å; R53-D57 VanDerWaalsContact O-CG 3.3Å; R53-D57 PolarHBondContact O-N 3.45Å; V54-D57 PolarHBondContact O-N 3.44Å; I55-D57 PolarHBondContact O-N 3.25Å; D57-I59 PolarHBondContact O-N 2.92Å; D57-Q60 PolarHBondContact O-N 3.27Å; D57-M61 VanDerWaalsContact O-CG 3.25Å; D57-M61 WeakPolarHBondContact O-CG 3.24Å; D57-M61 PolarHBondContact O-N 3.32Å; D57-K108 HydrophobicContact CB-CD 3.98Å; D57-K108 IonicContact OD2-NZ 3.32Å; D57-K108 PolarHBondContact OD2-NZ 2.9Å
58V95.3Very high95.3Very high0 Ų036 Ų360%019%0.188CC..Hα-helixtrans-60-49.4-179.6165.90000110.9V54 I55 S56 Q60 M61 L62 A105 K108 L109V54-V58 VanDerWaalsContact O-CG2 3.25Å; V54-V58 WeakPolarHBondContact O-CG2 3.48Å; V54-V58 PolarHBondContact O-N 2.64Å; I55-V58 PolarHBondContact O-N 3.39Å; S56-V58 PolarHBondContact O-N 3.07Å; V58-Q60 PolarHBondContact O-N 3.4Å; V58-M61 WeakPolarHBondContact O-CB 3.3Å; V58-M61 PolarHBondContact O-N 3.44Å; V58-M61 VanDerWaalsContact O-N 3.09Å; V58-L62 HydrophobicContact CG1-CD1 3.96Å; V58-L62 HydrophobicContact CG1-CG 4.3Å; V58-L62 VanDerWaalsContact O-CG 3.27Å; V58-L62 WeakPolarHBondContact O-CG 3.45Å; V58-L62 PolarHBondContact O-N 3.18Å; V58-A105 HydrophobicContact CG1-CB 4.25Å; V58-K108 HydrophobicContact CG2-CB 4.09Å; V58-K108 HydrophobicContact CG2-CD 3.74Å; V58-K108 HydrophobicContact CG2-CG 3.92Å; V58-L109 HydrophobicContact CB-CD2 4.13Å; V58-L109 HydrophobicContact CB-CG 4.22Å; V58-L109 HydrophobicContact CG1-CD1 3.8Å; V58-L109 HydrophobicContact CG1-CD2 3.95Å; V58-L109 HydrophobicContact CG1-CG 3.69Å; V58-L109 HydrophobicContact CG2-CD2 3.79Å; V58-L109 HydrophobicContact CG2-CG 3.75Å
59I94.6Very high95.3Very high7 Ų733.8 Ų33.84%0.03617%0.172CC..Hα-helixtrans-60.2-39178.7-65.5-59.8000111.1I55 S56 D57 H63 L161 L164I55-I59 HydrophobicContact CG2-CG1 4.25Å; I55-I59 VanDerWaalsContact O-CG1 3.31Å; I55-I59 WeakPolarHBondContact O-CG1 3.38Å; I55-I59 PolarHBondContact O-N 3.01Å; S56-I59 PolarHBondContact O-N 3.32Å; D57-I59 PolarHBondContact O-N 2.92Å; I59-H63 WeakPolarHBondContact O-CB 3.48Å; I59-H63 PolarHBondContact O-N 3.39Å; I59-L161 HydrophobicContact CD1-CD1 3.85Å; I59-L161 HydrophobicContact CG2-CD1 4.29Å; I59-L161 HydrophobicContact CG2-CG 4.26Å; I59-L164 HydrophobicContact CD1-CB 4.09Å; I59-L164 HydrophobicContact CD1-CD2 3.98Å; I59-L164 HydrophobicContact CD1-CG 3.79Å
60Q93.5Very high95.4Very high58 Ų5828.6 Ų28.627%0.27115%0.148SC..Hα-helixtrans-67.4-37.5176.3-173.456.571.100112.2S56 D57 V58 N64S56-Q60 WeakPolarHBondContact O-CB 3.43Å; S56-Q60 PolarHBondContact O-N 2.91Å; D57-Q60 PolarHBondContact O-N 3.27Å; V58-Q60 PolarHBondContact O-N 3.4Å; Q60-N64 VanDerWaalsContact NE2-CG 3.34Å; Q60-N64 PolarHBondContact NE2-ND2 3.34Å; Q60-N64 VanDerWaalsContact NE2-ND2 3.18Å; Q60-N64 PolarHBondContact NE2-OD1 2.84Å; Q60-N64 VanDerWaalsContact NE2-OD1 3.1Å; Q60-N64 PolarHBondContact O-N 3.17Å; Q60-N64 PolarHBondContact O-ND2 3.21Å
61M95.3Very high95.5Very high23 Ų2325.2 Ų25.211%0.11313%0.125CC..Hα-helixtrans-63.8-51.8175.2-69.8171.87000111.7Y22 D57 V58 H63 N64 A65 L104 A105 K108Y22-M61 VanDerWaalsContact OH-CA 3.24Å; Y22-M61 WeakPolarHBondContact OH-CA 3.46Å; Y22-M61 VanDerWaalsContact OH-CG 3.3Å; Y22-M61 WeakPolarHBondContact OH-CG 3.38Å; D57-M61 VanDerWaalsContact O-CG 3.25Å; D57-M61 WeakPolarHBondContact O-CG 3.24Å; D57-M61 PolarHBondContact O-N 3.32Å; V58-M61 WeakPolarHBondContact O-CB 3.3Å; V58-M61 PolarHBondContact O-N 3.44Å; V58-M61 VanDerWaalsContact O-N 3.09Å; M61-H63 VanDerWaalsContact C-N 3.26Å; M61-H63 PolarHBondContact O-N 3.41Å; M61-N64 PolarHBondContact O-N 3.32Å; M61-A65 WeakPolarHBondContact O-CB 3.26Å; M61-A65 PolarHBondContact O-N 3.09Å; M61-L104 HydrophobicContact CE-CB 3.58Å; M61-A105 HydrophobicContact CB-CB 4.05Å; M61-A105 HydrophobicContact CE-CB 4.07Å; M61-A105 HydrophobicContact SD-CB 4.33Å; M61-K108 HydrophobicContact SD-CD 4.14Å
62L95.9Very high95.6Very high2 Ų225.5 Ų25.51%0.0113%0.126CC..Hα-helixtrans-59.4-40.2178.8-62.8178.4000111.5V58 S66 Y102 A105 F121 M125 L161 L164V58-L62 HydrophobicContact CG1-CD1 3.96Å; V58-L62 HydrophobicContact CG1-CG 4.3Å; V58-L62 VanDerWaalsContact O-CG 3.27Å; V58-L62 WeakPolarHBondContact O-CG 3.45Å; V58-L62 PolarHBondContact O-N 3.18Å; L62-S66 VanDerWaalsContact O-CB 3.3Å; L62-S66 WeakPolarHBondContact O-CB 3.31Å; L62-S66 PolarHBondContact O-N 3.22Å; L62-S66 PolarHBondContact O-OG 3Å; L62-Y102 HydrophobicContact CD2-CD1 3.46Å; L62-Y102 VanDerWaalsContact CD2-CD1 3.46Å; L62-Y102 HydrophobicContact CD2-CE1 4.07Å; L62-A105 HydrophobicContact CD2-CB 3.53Å; L62-A105 HydrophobicContact CG-CB 3.99Å; L62-F121 HydrophobicContact CD1-CD2 4.23Å; L62-F121 HydrophobicContact CD1-CE2 3.77Å; L62-F121 HydrophobicContact CD2-CE2 3.72Å; L62-F121 HydrophobicContact CD2-CZ 4.05Å; L62-F121 HydrophobicContact CG-CE2 4.33Å; L62-M125 HydrophobicContact CD1-SD 4.25Å; L62-M125 HydrophobicContact CD2-SD 4.43Å; L62-L161 HydrophobicContact CB-CD1 3.88Å; L62-L161 HydrophobicContact CD1-CD1 4.09Å; L62-L164 HydrophobicContact CD1-CD2 3.27Å
63H93.4Very high95.7Very high14 Ų1428.4 Ų28.47%0.06514%0.139CC..Hα-helixtrans-63.9-47.2176.5179.640.7000112.8R34 I59 M61 A65 S66 L67 L161R34-H63 VanDerWaalsContact CZ-ND1 3.35Å; R34-H63 VanDerWaalsContact CZ-NE2 3.28Å; R34-H63 VanDerWaalsContact NE-CG 3.31Å; R34-H63 PolarHBondContact NE-ND1 3.47Å; R34-H63 PolarHBondContact NH1-CE1 2.88Å; R34-H63 VanDerWaalsContact NH1-CE1 3.26Å; R34-H63 PolarHBondContact NH1-NE2 3.5Å; R34-H63 PolarHBondContact NH2-CE1 3.35Å; R34-H63 VanDerWaalsContact NH2-CE1 3.26Å; R34-H63 PolarHBondContact NH2-ND1 3Å; I59-H63 WeakPolarHBondContact O-CB 3.48Å; I59-H63 PolarHBondContact O-N 3.39Å; M61-H63 VanDerWaalsContact C-N 3.26Å; M61-H63 PolarHBondContact O-N 3.41Å; H63-A65 VanDerWaalsContact C-N 3.35Å; H63-S66 PolarHBondContact O-N 3.11Å; H63-S66 PolarHBondContact O-OG 3.26Å; H63-L67 VanDerWaalsContact CE1-CD1 3.43Å; H63-L67 WeakPolarHBondContact CE1-CD1 3.45Å; H63-L67 VanDerWaalsContact CE1-CG 3.48Å; H63-L67 WeakPolarHBondContact CE1-CG 3.29Å; H63-L67 WeakPolarHBondContact NE2-CD1 3.16Å; H63-L67 WeakPolarHBondContact O-CG 3.34Å; H63-L67 PolarHBondContact O-N 3.18Å; H63-L161 HydrophobicContact CB-CD2 3.86Å
64N95.1Very high95.8Very high7 Ų721.2 Ų21.24%0.03711%0.113CC..Hα-helixtrans-67.7-39-179-76.4-19.7000111.2Y22 I25 C26 Q60 M61 L67 I68Y22-N64 HydrophobicContact CE2-CB 3.79Å; I25-N64 HydrophobicContact CG2-CB 3.9Å; C26-N64 PolarHBondContact SG-ND2 2.9Å; Q60-N64 VanDerWaalsContact NE2-CG 3.34Å; Q60-N64 PolarHBondContact NE2-ND2 3.34Å; Q60-N64 VanDerWaalsContact NE2-ND2 3.18Å; Q60-N64 PolarHBondContact NE2-OD1 2.84Å; Q60-N64 VanDerWaalsContact NE2-OD1 3.1Å; Q60-N64 PolarHBondContact O-N 3.17Å; Q60-N64 PolarHBondContact O-ND2 3.21Å; M61-N64 PolarHBondContact O-N 3.32Å; N64-L67 PolarHBondContact O-N 2.78Å; N64-I68 PolarHBondContact O-N 3.44Å
65A97.2Very high95.7Very high0 Ų021.5 Ų21.50%012%0.123CC..Hα-helixtrans-60.9-46.9172.700000111.4M61 H63 L67 I68 I69 A98 A101 Y102M61-A65 WeakPolarHBondContact O-CB 3.26Å; M61-A65 PolarHBondContact O-N 3.09Å; H63-A65 VanDerWaalsContact C-N 3.35Å; A65-L67 VanDerWaalsContact C-N 3.31Å; A65-L67 PolarHBondContact O-N 3.05Å; A65-I68 PolarHBondContact O-N 2.91Å; A65-I69 PolarHBondContact O-N 3.19Å; A65-A98 HydrophobicContact CB-CB 4.3Å; A65-A98 WeakPolarHBondContact CB-O 3.42Å; A65-A98 WeakPolarHBondContact O-CB 3.39Å; A65-A101 HydrophobicContact CB-CB 4.03Å; A65-Y102 HydrophobicContact CB-CD1 3.9Å; A65-Y102 HydrophobicContact CB-CE1 3.75Å; A65-Y102 HydrophobicContact CB-CE2 4.5Å; A65-Y102 HydrophobicContact CB-CG 4.36Å
66S96.2Very high95.7Very high24 Ų2421.5 Ų21.517%0.16812%0.123CC..Hα-helixtrans-63-37.8179.6810000112.3L62 H63 I68 I69 D70 Y102L62-S66 VanDerWaalsContact O-CB 3.3Å; L62-S66 WeakPolarHBondContact O-CB 3.31Å; L62-S66 PolarHBondContact O-N 3.22Å; L62-S66 PolarHBondContact O-OG 3Å; H63-S66 PolarHBondContact O-N 3.11Å; H63-S66 PolarHBondContact O-OG 3.26Å; S66-I68 VanDerWaalsContact C-N 3.33Å; S66-I68 PolarHBondContact O-N 3.46Å; S66-I69 PolarHBondContact O-N 2.81Å; S66-D70 WeakPolarHBondContact O-CB 3.21Å; S66-D70 PolarHBondContact O-N 2.98Å; S66-Y102 WeakPolarHBondContact CA-OH 3.32Å; S66-Y102 WeakPolarHBondContact CB-OH 3.43Å; S66-Y102 PolarHBondContact N-OH 3.31Å
67L95Very high95.7Very high17 Ų1725.6 Ų25.69%0.08914%0.138CC..Hα-helixtrans-63.3-36.4176.4-75.3-179.6000113.1I25 H63 N64 A65 D71I25-L67 HydrophobicContact CD1-CB 3.54Å; I25-L67 HydrophobicContact CD1-CD1 4.14Å; H63-L67 VanDerWaalsContact CE1-CD1 3.43Å; H63-L67 WeakPolarHBondContact CE1-CD1 3.45Å; H63-L67 VanDerWaalsContact CE1-CG 3.48Å; H63-L67 WeakPolarHBondContact CE1-CG 3.29Å; H63-L67 WeakPolarHBondContact NE2-CD1 3.16Å; H63-L67 WeakPolarHBondContact O-CG 3.34Å; H63-L67 PolarHBondContact O-N 3.18Å; N64-L67 PolarHBondContact O-N 2.78Å; A65-L67 VanDerWaalsContact C-N 3.31Å; A65-L67 PolarHBondContact O-N 3.05Å; L67-D71 VanDerWaalsContact O-CB 3.31Å; L67-D71 WeakPolarHBondContact O-CB 3.49Å; L67-D71 PolarHBondContact O-N 3.5Å
68I98.2Very high95.7Very high0 Ų024.6 Ų24.60%013%0.133CC..Hα-helixtrans-64.6-44.2176.6-67.7170.4000110.5Y22 I25 N64 A65 S66 I72 A85 A98Y22-I68 HydrophobicContact CD2-CD1 4.49Å; I25-I68 HydrophobicContact CB-CD1 4.31Å; I25-I68 HydrophobicContact CB-CG1 4.23Å; I25-I68 HydrophobicContact CD1-CG1 3.83Å; I25-I68 HydrophobicContact CG2-CD1 3.68Å; I25-I68 HydrophobicContact CG2-CG1 3.97Å; N64-I68 PolarHBondContact O-N 3.44Å; A65-I68 PolarHBondContact O-N 2.91Å; S66-I68 VanDerWaalsContact C-N 3.33Å; S66-I68 PolarHBondContact O-N 3.46Å; I68-I72 HydrophobicContact CG2-CD1 4.27Å; I68-I72 WeakPolarHBondContact O-CD1 3.32Å; I68-I72 WeakPolarHBondContact O-CG1 3.18Å; I68-I72 PolarHBondContact O-N 2.81Å; I68-A85 HydrophobicContact CG1-CB 4.27Å; I68-A85 HydrophobicContact CG2-CB 4.4Å; I68-A98 HydrophobicContact CB-CB 3.98Å; I68-A98 HydrophobicContact CD1-CB 4.43Å; I68-A98 HydrophobicContact CG2-CB 3.98Å
69I98.5Very high95.5Very high22 Ų2226 Ų2611%0.11314%0.138CC..Hα-helixtrans-67-47.3178.6-61.5-59.1000110.5A65 S66 D71 I72 E73 I95 A98A65-I69 PolarHBondContact O-N 3.19Å; S66-I69 PolarHBondContact O-N 2.81Å; I69-D71 PolarHBondContact O-N 3.22Å; I69-I72 WeakPolarHBondContact O-CA 3.48Å; I69-I72 WeakPolarHBondContact O-CB 3.27Å; I69-I72 PolarHBondContact O-N 3.04Å; I69-E73 HydrophobicContact CG2-CG 4.15Å; I69-E73 WeakPolarHBondContact CG2-OE1 3.31Å; I69-E73 WeakPolarHBondContact O-CG 3.39Å; I69-E73 PolarHBondContact O-N 2.97Å; I69-I95 HydrophobicContact CD1-CB 4.4Å; I69-I95 HydrophobicContact CD1-CG1 4.3Å; I69-I95 HydrophobicContact CD1-CG2 4.4Å; I69-A98 HydrophobicContact CD1-CB 3.67Å; I69-A98 HydrophobicContact CG1-CB 3.7Å
70D96.4Very high95.3Very high23 Ų2328.5 Ų28.512%0.12315%0.147CC..Hα-helixtrans-55.6-47.1175.5-177-112.2000111S66 I72 E73 D74 R79 Q132 K157S66-D70 WeakPolarHBondContact O-CB 3.21Å; S66-D70 PolarHBondContact O-N 2.98Å; D70-I72 PolarHBondContact O-N 3.43Å; D70-E73 PolarHBondContact O-N 3.43Å; D70-E73 VanDerWaalsContact O-N 3.16Å; D70-D74 VanDerWaalsContact O-CB 3.29Å; D70-D74 WeakPolarHBondContact O-CB 3.43Å; D70-D74 PolarHBondContact O-N 2.96Å; D70-R79 IonicContact OD1-NH2 2.76Å; D70-R79 PolarHBondContact OD1-NH2 3.47Å; D70-Q132 PolarHBondContact OD2-NE2 2.93Å; D70-K157 IonicContact OD2-NZ 2.7Å
71D97.2Very high95.1Very high1 Ų127.8 Ų27.81%0.00516%0.155CC..Hα-helixtrans-56.1-36.5175.1-77.6-30.7000112.5L67 I69 G75 S76 R79 T84 H86L67-D71 VanDerWaalsContact O-CB 3.31Å; L67-D71 WeakPolarHBondContact O-CB 3.49Å; L67-D71 PolarHBondContact O-N 3.5Å; I69-D71 PolarHBondContact O-N 3.22Å; D71-G75 CarbonylContact O-C 3.56Å; D71-G75 WeakPolarHBondContact O-CA 3.39Å; D71-G75 PolarHBondContact O-N 3.35Å; D71-S76 PolarHBondContact O-N 3.4Å; D71-R79 IonicContact OD1-CZ 2.83Å; D71-R79 IonicContact OD1-NE 2.62Å; D71-R79 PolarHBondContact OD1-NE 2.91Å; D71-R79 IonicContact OD1-NH2 3.26Å; D71-R79 PolarHBondContact OD1-NH2 3.02Å; D71-R79 IonicContact OD2-NE 3.06Å; D71-T84 HydrophobicContact CB-CG2 3.84Å; D71-T84 VanDerWaalsContact CG-CG2 3.41Å; D71-T84 WeakPolarHBondContact OD2-CG2 3.42Å; D71-H86 PolarHBondContact O-CE1 3.01Å
72I98.4Very high95.1Very high37 Ų3731 Ų3119%0.1917%0.168CC..Hα-helixtrans-74.9-45.1177.5-69.3159.5000111.1I68 I69 D70 D74 G75 H86 V91 I95I68-I72 HydrophobicContact CG2-CD1 4.27Å; I68-I72 WeakPolarHBondContact O-CD1 3.32Å; I68-I72 WeakPolarHBondContact O-CG1 3.18Å; I68-I72 PolarHBondContact O-N 2.81Å; I69-I72 WeakPolarHBondContact O-CA 3.48Å; I69-I72 WeakPolarHBondContact O-CB 3.27Å; I69-I72 PolarHBondContact O-N 3.04Å; D70-I72 PolarHBondContact O-N 3.43Å; I72-D74 VanDerWaalsContact C-N 3.3Å; I72-D74 PolarHBondContact O-N 3.04Å; I72-G75 PolarHBondContact O-N 3.4Å; I72-H86 HydrophobicContact CD1-CB 3.98Å; I72-H86 HydrophobicContact CG1-CB 3.49Å; I72-H86 VanDerWaalsContact CG1-CB 3.49Å; I72-V91 HydrophobicContact CG2-CG1 3.97Å; I72-I95 HydrophobicContact CD1-CG1 3.67Å
73E97.5Very high95Very high75 Ų7533.9 Ų33.935%0.3519%0.187SC..Hα-helixtrans-63.2-39.4179.7-70.9173.9166.300111I69 D70 Q132 I136 R139I69-E73 HydrophobicContact CG2-CG 4.15Å; I69-E73 WeakPolarHBondContact CG2-OE1 3.31Å; I69-E73 WeakPolarHBondContact O-CG 3.39Å; I69-E73 PolarHBondContact O-N 2.97Å; D70-E73 PolarHBondContact O-N 3.43Å; D70-E73 VanDerWaalsContact O-N 3.16Å; E73-Q132 WeakPolarHBondContact OE2-CG 3.2Å; E73-Q132 PolarHBondContact OE2-NE2 3.5Å; E73-I136 HydrophobicContact CB-CD1 4.23Å; E73-I136 HydrophobicContact CG-CD1 4.2Å; E73-R139 PolarHBondContact O-NH1 3.11Å
74D95Very high95.2Very high9 Ų933.3 Ų33.35%0.04818%0.184CC..Hα-helixtrans-80.3-26.6179.6-69.4-14.8000112.2D70 I72 R139 E216D70-D74 VanDerWaalsContact O-CB 3.29Å; D70-D74 WeakPolarHBondContact O-CB 3.43Å; D70-D74 PolarHBondContact O-N 2.96Å; I72-D74 VanDerWaalsContact C-N 3.3Å; I72-D74 PolarHBondContact O-N 3.04Å; D74-R139 PolarHBondContact O-NH2 3.49Å; D74-R139 IonicContact OD1-NH1 2.87Å; D74-E216 HydrophobicContact CB-CG 4.08Å
75G93.8Very high95.3Very high39 Ų3933.1 Ų33.140%0.40218%0.183SC..THydrogen-bonded Turntrans77.827.7-173.400000112.2D71 I72D71-G75 CarbonylContact O-C 3.56Å; D71-G75 WeakPolarHBondContact O-CA 3.39Å; D71-G75 PolarHBondContact O-N 3.35Å; I72-G75 PolarHBondContact O-N 3.4Å
76S95Very high95.4Very high0 Ų034.3 Ų34.30%019%0.189CC..  trans-67.7134.9-176.2-48.70000111.4D71 T84 H86D71-S76 PolarHBondContact O-N 3.4Å; S76-T84 WeakPolarHBondContact O-CB 3.34Å; S76-T84 WeakPolarHBondContact O-CG2 3.27Å; S76-T84 PolarHBondContact O-OG1 3.29Å; S76-H86 PolarHBondContact O-CE1 2.9Å
77H93.8Very high95.5Very high116 Ų11636.2 Ų36.254%0.53720%0.202SC..SBendtrans-89.2-30.7177.6-67.6-58.9000113P83 T84H77-P83 WeakPolarHBondContact O-CA 3.3Å; H77-T84 PolarHBondContact O-N 3.38Å
78L93.8Very high95.6Very high43 Ų4339.4 Ų39.423%0.22522%0.218CC..EExtended strand (participates in β ladder)trans-126.7136.3-174.8-65.2177.3000111.8K82 K208L78-K82 CarbonylContact C-O 3.38Å; L78-K82 WeakPolarHBondContact CA-O 3.45Å; L78-K208 VanDerWaalsContact CD1-O 3.31Å; L78-K208 WeakPolarHBondContact CD1-O 3.45Å
79R92.7Very high95.6Very high28 Ų2841.8 Ų41.811%0.10623%0.228CC..EExtended strand (participates in β ladder)trans-133.5120.8169.6-175.865.965.3167.94.5109.3D70 D71 G81 K82 T84 K207D70-R79 IonicContact OD1-NH2 2.76Å; D70-R79 PolarHBondContact OD1-NH2 3.47Å; D71-R79 IonicContact OD1-CZ 2.83Å; D71-R79 IonicContact OD1-NE 2.62Å; D71-R79 PolarHBondContact OD1-NE 2.91Å; D71-R79 IonicContact OD1-NH2 3.26Å; D71-R79 PolarHBondContact OD1-NH2 3.02Å; D71-R79 IonicContact OD2-NE 3.06Å; R79-G81 PolarHBondContact O-N 3.47Å; R79-K82 PolarHBondContact N-O 2.85Å; R79-K82 PolarHBondContact O-N 3.44Å; R79-T84 HydrophobicContact CB-CG2 3.93Å; R79-K207 CarbonylContact C-O 3.28Å
80R90.1Very high95.6Very high61 Ų6142.2 Ų42.223%0.2324%0.238CC..THydrogen-bonded Turntrans56.734.1-177.1-59.3162.1-179.7172.89.5112.3T28 N29 K82 K207T28-R80 PolarHBondContact O-NH1 2.78Å; T28-R80 WeakPolarHBondContact OG1-CD 3.15Å; T28-R80 PolarHBondContact OG1-NH1 2.94Å; T28-R80 VanDerWaalsContact OG1-NH1 3.08Å; N29-R80 WeakPolarHBondContact O-CD 3.27Å; R80-K82 VanDerWaalsContact C-N 3.32Å; R80-K207 PolarHBondContact N-O 3.48Å
81G89.2Confident95.7Very high42 Ų4244.6 Ų44.643%0.43325%0.254SS..THydrogen-bonded Turntrans78.612.617600000114.5R79 R206 K207R79-G81 PolarHBondContact O-N 3.47Å; G81-R206 WeakPolarHBondContact CA-O 3.32Å; G81-K207 PolarHBondContact N-O 2.93Å
82K93.7Very high95.8Very high92 Ų9248.1 Ų48.140%0.428%0.282SS..EExtended strand (participates in β ladder)trans-125.1157.2176.2-63.8-175.3175.1-176.30110Y24 T28 L78 R79 R80Y24-K82 WeakPolarHBondContact OH-CB 3.43Å; T28-K82 HydrophobicContact CG2-CD 3.87Å; L78-K82 CarbonylContact C-O 3.38Å; L78-K82 WeakPolarHBondContact CA-O 3.45Å; R79-K82 PolarHBondContact N-O 2.85Å; R79-K82 PolarHBondContact O-N 3.44Å; R80-K82 VanDerWaalsContact C-N 3.32Å
83P95.6Very high95.8Very high62 Ų6249.4 Ų49.440%0.40329%0.294SS..EExtended strand (participates in β ladder)trans-53.4141.5174.8-24.834000111.5Y24 H77 I88Y24-P83 WeakPolarHBondContact CE1-O 3.49Å; Y24-P83 PolarHBondContact OH-O 2.62Å; H77-P83 WeakPolarHBondContact O-CA 3.3Å; P83-I88 HydrophobicContact CB-CD1 4.1Å; P83-I88 HydrophobicContact CB-CG1 4Å
84T96.8Very high95.8Very high1 Ų145.9 Ų45.91%0.00628%0.277CS..  trans-64.2156.4174.850.60000111.3D71 S76 H77 R79 H86 C87 I88D71-T84 HydrophobicContact CB-CG2 3.84Å; D71-T84 VanDerWaalsContact CG-CG2 3.41Å; D71-T84 WeakPolarHBondContact OD2-CG2 3.42Å; S76-T84 WeakPolarHBondContact O-CB 3.34Å; S76-T84 WeakPolarHBondContact O-CG2 3.27Å; S76-T84 PolarHBondContact O-OG1 3.29Å; H77-T84 PolarHBondContact O-N 3.38Å; R79-T84 HydrophobicContact CB-CG2 3.93Å; T84-H86 VanDerWaalsContact C-N 3.28Å; T84-H86 PolarHBondContact O-N 3.3Å; T84-H86 PolarHBondContact OG1-CE1 2.73Å; T84-H86 PolarHBondContact OG1-ND1 3.47Å; T84-C87 WeakPolarHBondContact O-CB 3.4Å; T84-C87 PolarHBondContact O-N 3.2Å; T84-C87 VanDerWaalsContact O-N 3.12Å; T84-C87 PolarHBondContact OG1-SG 3.3Å; T84-C87 VanDerWaalsContact OG1-SG 3.35Å; T84-I88 PolarHBondContact O-N 2.73Å
85A97.9Very high96Very high3 Ų348.5 Ų48.53%0.02529%0.29CS..Hα-helixtrans-58.2-41.2-175.500000112P21 Y24 I68 C87 I88 F89 S94P21-A85 HydrophobicContact CB-CB 4.18Å; Y24-A85 HydrophobicContact CD1-CB 4.13Å; I68-A85 HydrophobicContact CG1-CB 4.27Å; I68-A85 HydrophobicContact CG2-CB 4.4Å; A85-C87 VanDerWaalsContact C-N 3.3Å; A85-C87 PolarHBondContact O-N 3.5Å; A85-I88 PolarHBondContact O-N 3.32Å; A85-I88 VanDerWaalsContact O-N 3.09Å; A85-F89 HydrophobicContact CB-CD2 4.38Å; A85-F89 VanDerWaalsContact O-CD2 3.23Å; A85-F89 WeakPolarHBondContact O-CD2 3.44Å; A85-F89 PolarHBondContact O-N 3.43Å; A85-S94 PolarHBondContact O-OG 3.3Å
86H98.3Very high96.2Very high26 Ų2650.9 Ų50.912%0.1229%0.294CS..Hα-helixtrans-70.4-24.7-179.173.3-93.9000113.6D71 I72 S76 T84 I88 G90 V91 S94D71-H86 PolarHBondContact O-CE1 3.01Å; I72-H86 HydrophobicContact CD1-CB 3.98Å; I72-H86 HydrophobicContact CG1-CB 3.49Å; I72-H86 VanDerWaalsContact CG1-CB 3.49Å; S76-H86 PolarHBondContact O-CE1 2.9Å; T84-H86 VanDerWaalsContact C-N 3.28Å; T84-H86 PolarHBondContact O-N 3.3Å; T84-H86 PolarHBondContact OG1-CE1 2.73Å; T84-H86 PolarHBondContact OG1-ND1 3.47Å; H86-I88 VanDerWaalsContact C-N 3.3Å; H86-G90 CarbonylContact O-C 3.6Å; H86-G90 WeakPolarHBondContact O-CA 3.47Å; H86-G90 PolarHBondContact O-N 3.36Å; H86-V91 HydrophobicContact CB-CG2 4.42Å; H86-S94 VanDerWaalsContact CA-OG 3.26Å; H86-S94 WeakPolarHBondContact CA-OG 2.99Å; H86-S94 PolarHBondContact N-OG 3.27Å
87C97.8Very high96.4Very high64 Ų6450.9 Ų50.943%0.43229%0.294SS..Hα-helixtrans-70.5-26.1171.5-78.30000112.6T84 A85T84-C87 WeakPolarHBondContact O-CB 3.4Å; T84-C87 PolarHBondContact O-N 3.2Å; T84-C87 VanDerWaalsContact O-N 3.12Å; T84-C87 PolarHBondContact OG1-SG 3.3Å; T84-C87 VanDerWaalsContact OG1-SG 3.35Å; A85-C87 VanDerWaalsContact C-N 3.3Å; A85-C87 PolarHBondContact O-N 3.5Å
88I97.9Very high96.6Very high83 Ų8345.4 Ų45.443%0.42627%0.268SS..Hα-helixtrans-92.4-50.2179.3-61.3179.5000111.5Y24 P83 T84 A85 H86Y24-I88 HydrophobicContact CD1-CD1 4.42Å; Y24-I88 HydrophobicContact CD2-CD1 4.28Å; Y24-I88 HydrophobicContact CE1-CD1 3.77Å; Y24-I88 HydrophobicContact CE2-CD1 3.61Å; Y24-I88 WeakPolarHBondContact OH-CD1 3.35Å; P83-I88 HydrophobicContact CB-CD1 4.1Å; P83-I88 HydrophobicContact CB-CG1 4Å; T84-I88 PolarHBondContact O-N 2.73Å; A85-I88 PolarHBondContact O-N 3.32Å; A85-I88 VanDerWaalsContact O-N 3.09Å; H86-I88 VanDerWaalsContact C-N 3.3Å
89F98.1Very high96.9Very high50 Ų5046.5 Ų46.522%0.21928%0.275CS..Hα-helixtrans-101.5-5.7-170.3-53.7-72.9000113.3E20 P21 Y24 A85 P93E20-F89 HydrophobicContact CB-CE1 4.44Å; E20-F89 VanDerWaalsContact CD-CE1 3.43Å; E20-F89 HydrophobicContact CG-CD1 4.19Å; E20-F89 HydrophobicContact CG-CE1 3.52Å; E20-F89 HydrophobicContact CG-CZ 3.88Å; P21-F89 HydrophobicContact CB-CD2 3.92Å; P21-F89 HydrophobicContact CB-CG 4.42Å; P21-F89 HydrophobicContact CG-CB 3.92Å; P21-F89 HydrophobicContact CG-CD2 3.96Å; P21-F89 HydrophobicContact CG-CG 3.96Å; Y24-F89 HydrophobicContact CD1-CE2 4.01Å; Y24-F89 HydrophobicContact CD2-CE2 4.41Å; Y24-F89 AromaticContact CG-CE2 3.74Å; Y24-F89 HydrophobicContact CG-CE2 3.74Å; Y24-F89 HydrophobicContact CG-CZ 4.22Å; A85-F89 HydrophobicContact CB-CD2 4.38Å; A85-F89 VanDerWaalsContact O-CD2 3.23Å; A85-F89 WeakPolarHBondContact O-CD2 3.44Å; A85-F89 PolarHBondContact O-N 3.43Å; F89-P93 VanDerWaalsContact O-CG 3.3Å; F89-P93 WeakPolarHBondContact O-CG 3.2Å
90G98.3Very high97.1Very high31 Ų3148.9 Ų48.932%0.3228%0.284SS..  trans85.4162.3-172.300000113.3H86 S94H86-G90 CarbonylContact O-C 3.6Å; H86-G90 WeakPolarHBondContact O-CA 3.47Å; H86-G90 PolarHBondContact O-N 3.36Å; G90-S94 VanDerWaalsContact O-CB 3.31Å; G90-S94 WeakPolarHBondContact O-CB 3.46Å; G90-S94 PolarHBondContact O-N 2.93Å; G90-S94 PolarHBondContact O-OG 2.88Å
91V98.7Very high97.5Very high74 Ų7446 Ų4645%0.44827%0.273SS..Hα-helixtrans-63.7-52.6-176.71750000111.6I72 H86 S94 I95I72-V91 HydrophobicContact CG2-CG1 3.97Å; H86-V91 HydrophobicContact CB-CG2 4.42Å; V91-S94 PolarHBondContact O-N 3.41Å; V91-I95 HydrophobicContact CG1-CD1 3.62Å; V91-I95 HydrophobicContact CG1-CG1 4.22Å; V91-I95 WeakPolarHBondContact O-CG1 3.26Å; V91-I95 PolarHBondContact O-N 3.01Å
92A98.7Very high97.9Very high74 Ų7445.1 Ų45.161%0.61226%0.257SS*.Hα-helixtrans-62.3-47.3-173.600000113.9S94 I95 N96A92-S94 VanDerWaalsContact C-N 3.3Å; A92-S94 PolarHBondContact O-N 3.47Å; A92-I95 PolarHBondContact O-N 2.97Å; A92-N96 PolarHBondContact O-N 2.76Å
93P98.4Very high98.1Very high65 Ų6547.3 Ų47.342%0.42227%0.267SS..Hα-helixtrans-62.3-37.3175.3-26.738.8000112.8P21 F89 N96 S97P21-P93 HydrophobicContact CG-CB 4.4Å; F89-P93 VanDerWaalsContact O-CG 3.3Å; F89-P93 WeakPolarHBondContact O-CG 3.2Å; P93-N96 PolarHBondContact O-N 2.65Å; P93-S97 VanDerWaalsContact O-CB 3.27Å; P93-S97 WeakPolarHBondContact O-CB 3.46Å; P93-S97 PolarHBondContact O-N 2.82Å
94S98.7Very high98.2Very high0 Ų045.8 Ų45.80%026%0.255CS..Hα-helixtrans-66.3-44.6179.2-61.80000112.2A85 H86 G90 V91 A92 S97 A98A85-S94 PolarHBondContact O-OG 3.3Å; H86-S94 VanDerWaalsContact CA-OG 3.26Å; H86-S94 WeakPolarHBondContact CA-OG 2.99Å; H86-S94 PolarHBondContact N-OG 3.27Å; G90-S94 VanDerWaalsContact O-CB 3.31Å; G90-S94 WeakPolarHBondContact O-CB 3.46Å; G90-S94 PolarHBondContact O-N 2.93Å; G90-S94 PolarHBondContact O-OG 2.88Å; V91-S94 PolarHBondContact O-N 3.41Å; A92-S94 VanDerWaalsContact C-N 3.3Å; A92-S94 PolarHBondContact O-N 3.47Å; S94-S97 PolarHBondContact O-N 3.09Å; S94-A98 WeakPolarHBondContact O-CB 3.31Å; S94-A98 PolarHBondContact O-N 3.43Å
95I98.8Very high98.2Very high64 Ų6445.8 Ų45.833%0.32826%0.255SS..Hα-helixtrans-58.9-49.3173.4-67.9174.9000110.4I69 I72 V91 A92 S97 A98 N99I69-I95 HydrophobicContact CD1-CB 4.4Å; I69-I95 HydrophobicContact CD1-CG1 4.3Å; I69-I95 HydrophobicContact CD1-CG2 4.4Å; I72-I95 HydrophobicContact CD1-CG1 3.67Å; V91-I95 HydrophobicContact CG1-CD1 3.62Å; V91-I95 HydrophobicContact CG1-CG1 4.22Å; V91-I95 WeakPolarHBondContact O-CG1 3.26Å; V91-I95 PolarHBondContact O-N 3.01Å; A92-I95 PolarHBondContact O-N 2.97Å; I95-S97 PolarHBondContact O-N 3.42Å; I95-A98 PolarHBondContact O-N 3.08Å; I95-N99 WeakPolarHBondContact O-CB 3.38Å; I95-N99 PolarHBondContact O-N 2.66Å; I95-N99 PolarHBondContact O-ND2 2.83Å
96N98.6Very high98.2Very high90 Ų9047.7 Ų47.748%0.48127%0.265SS..Hα-helixtrans-61.1-46.4-178.9-175.579.9000111.7A92 P93 A98 N99 Y100A92-N96 PolarHBondContact O-N 2.76Å; P93-N96 PolarHBondContact O-N 2.65Å; N96-A98 PolarHBondContact O-N 3.14Å; N96-N99 PolarHBondContact O-N 3.15Å; N96-Y100 WeakPolarHBondContact O-CB 3.1Å; N96-Y100 PolarHBondContact O-N 3.1Å
97S98.7Very high98Very high0 Ų051.8 Ų51.80%028%0.284CS..Hα-helixtrans-60.5-45179.7-163.20000112.2V18 Y22 P93 S94 I95 Y100 A101V18-S97 WeakPolarHBondContact O-CB 3.36Å; V18-S97 PolarHBondContact O-OG 3.21Å; Y22-S97 WeakPolarHBondContact CB-OG 3.18Å; Y22-S97 PolarHBondContact N-OG 3.12Å; P93-S97 VanDerWaalsContact O-CB 3.27Å; P93-S97 WeakPolarHBondContact O-CB 3.46Å; P93-S97 PolarHBondContact O-N 2.82Å; S94-S97 PolarHBondContact O-N 3.09Å; I95-S97 PolarHBondContact O-N 3.42Å; S97-Y100 PolarHBondContact O-N 3.23Å; S97-A101 WeakPolarHBondContact O-CB 3.17Å; S97-A101 PolarHBondContact O-N 3.28Å
98A98.6Very high97.9Very high0 Ų051.9 Ų51.90%028%0.277CS..Hα-helixtrans-67-44.8178.300000112.5A65 I68 I69 S94 I95 N96 Y100 A101 Y102A65-A98 HydrophobicContact CB-CB 4.3Å; A65-A98 WeakPolarHBondContact CB-O 3.42Å; A65-A98 WeakPolarHBondContact O-CB 3.39Å; I68-A98 HydrophobicContact CB-CB 3.98Å; I68-A98 HydrophobicContact CD1-CB 4.43Å; I68-A98 HydrophobicContact CG2-CB 3.98Å; I69-A98 HydrophobicContact CD1-CB 3.67Å; I69-A98 HydrophobicContact CG1-CB 3.7Å; S94-A98 WeakPolarHBondContact O-CB 3.31Å; S94-A98 PolarHBondContact O-N 3.43Å; I95-A98 PolarHBondContact O-N 3.08Å; N96-A98 PolarHBondContact O-N 3.14Å; A98-Y100 VanDerWaalsContact C-N 3.31Å; A98-Y100 PolarHBondContact O-N 2.97Å; A98-A101 WeakPolarHBondContact O-CB 3.33Å; A98-A101 PolarHBondContact O-N 3.49Å; A98-Y102 PolarHBondContact O-N 3.3Å
99N98.6Very high97.8Very high67 Ų6748 Ų4836%0.35826%0.257SS..Hα-helixtrans-62.1-40.8175.9-73.7-16.2000111.8I95 N96 Y102 F103I95-N99 WeakPolarHBondContact O-CB 3.38Å; I95-N99 PolarHBondContact O-N 2.66Å; I95-N99 PolarHBondContact O-ND2 2.83Å; N96-N99 PolarHBondContact O-N 3.15Å; N99-Y102 WeakPolarHBondContact O-CB 3.18Å; N99-Y102 PolarHBondContact O-N 3.02Å; N99-F103 WeakPolarHBondContact O-CD2 3.42Å; N99-F103 PolarHBondContact O-N 3.15Å
100Y98.1Very high97.4Very high78 Ų7847.9 Ų47.931%0.30626%0.263SS..Hα-helixtrans-62.8-42.8175.3-174.8-116.1000111.7E15 V18 M19 N96 S97 A98 Y102 F103 L104E15-Y100 VanDerWaalsContact OE1-CE1 3.28Å; E15-Y100 WeakPolarHBondContact OE1-CE1 3.46Å; E15-Y100 PolarHBondContact OE1-OH 3.18Å; E15-Y100 PolarHBondContact OE2-OH 3.2Å; V18-Y100 HydrophobicContact CG1-CD1 3.73Å; V18-Y100 HydrophobicContact CG1-CE1 4.26Å; V18-Y100 HydrophobicContact CG1-CG 4.12Å; M19-Y100 HydrophobicContact CG-CD1 4.26Å; M19-Y100 HydrophobicContact CG-CE1 4.27Å; M19-Y100 HydrophobicContact SD-CD1 3.6Å; M19-Y100 HydrophobicContact SD-CE1 4.06Å; N96-Y100 WeakPolarHBondContact O-CB 3.1Å; N96-Y100 PolarHBondContact O-N 3.1Å; S97-Y100 PolarHBondContact O-N 3.23Å; A98-Y100 VanDerWaalsContact C-N 3.31Å; A98-Y100 PolarHBondContact O-N 2.97Å; Y100-Y102 VanDerWaalsContact C-N 3.29Å; Y100-Y102 PolarHBondContact O-N 3.44Å; Y100-F103 PolarHBondContact O-N 3.49Å; Y100-L104 HydrophobicContact CD1-CD1 3.91Å; Y100-L104 HydrophobicContact CD1-CG 4.24Å; Y100-L104 HydrophobicContact CE1-CD1 3.57Å; Y100-L104 HydrophobicContact CE1-CD2 4.14Å; Y100-L104 HydrophobicContact CE1-CG 3.88Å; Y100-L104 HydrophobicContact CE2-CD2 4.5Å; Y100-L104 PolarHBondContact O-N 2.88Å
101A98.1Very high97.1Very high0 Ų052.5 Ų52.50%028%0.279CS..Hα-helixtrans-61-32.6174.200000113.5Y22 A65 S97 A98 F103 L104 A105Y22-A101 HydrophobicContact CD2-CB 3.5Å; Y22-A101 HydrophobicContact CE2-CB 3.67Å; Y22-A101 HydrophobicContact CG-CB 4.11Å; A65-A101 HydrophobicContact CB-CB 4.03Å; S97-A101 WeakPolarHBondContact O-CB 3.17Å; S97-A101 PolarHBondContact O-N 3.28Å; A98-A101 WeakPolarHBondContact O-CB 3.33Å; A98-A101 PolarHBondContact O-N 3.49Å; A101-F103 VanDerWaalsContact C-N 3.34Å; A101-L104 PolarHBondContact O-N 3.44Å; A101-A105 WeakPolarHBondContact O-CB 3.35Å; A101-A105 PolarHBondContact O-N 3.41Å
102Y98.2Very high96.8Very high23 Ų2350.1 Ų50.19%0.0926%0.264CS..Hα-helixtrans-60.6-41.7170.4-72.3-45.8000112.2L62 A65 S66 A98 N99 Y100 A105 L106 M125L62-Y102 HydrophobicContact CD2-CD1 3.46Å; L62-Y102 VanDerWaalsContact CD2-CD1 3.46Å; L62-Y102 HydrophobicContact CD2-CE1 4.07Å; A65-Y102 HydrophobicContact CB-CD1 3.9Å; A65-Y102 HydrophobicContact CB-CE1 3.75Å; A65-Y102 HydrophobicContact CB-CE2 4.5Å; A65-Y102 HydrophobicContact CB-CG 4.36Å; S66-Y102 WeakPolarHBondContact CA-OH 3.32Å; S66-Y102 WeakPolarHBondContact CB-OH 3.43Å; S66-Y102 PolarHBondContact N-OH 3.31Å; A98-Y102 PolarHBondContact O-N 3.3Å; N99-Y102 WeakPolarHBondContact O-CB 3.18Å; N99-Y102 PolarHBondContact O-N 3.02Å; Y100-Y102 VanDerWaalsContact C-N 3.29Å; Y100-Y102 PolarHBondContact O-N 3.44Å; Y102-A105 PolarHBondContact O-N 2.82Å; Y102-L106 PolarHBondContact O-N 3.17Å; Y102-L106 VanDerWaalsContact O-N 3.11Å; Y102-M125 HydrophobicContact CD1-CE 3.97Å; Y102-M125 HydrophobicContact CE1-CE 3.65Å
103F97.9Very high96.2Very high139 Ų13954.8 Ų54.861%0.6127%0.273SS*.Hα-helixtrans-73.1-37.6178.1-65.4-63.1000112.8N99 Y100 A101 A105 L106 E107N99-F103 WeakPolarHBondContact O-CD2 3.42Å; N99-F103 PolarHBondContact O-N 3.15Å; Y100-F103 PolarHBondContact O-N 3.49Å; A101-F103 VanDerWaalsContact C-N 3.34Å; F103-A105 VanDerWaalsContact C-N 3.28Å; F103-A105 PolarHBondContact O-N 3.21Å; F103-L106 WeakPolarHBondContact O-CB 3.34Å; F103-L106 PolarHBondContact O-N 3.15Å; F103-E107 PolarHBondContact O-N 3.26Å
104L97Very high95.9Very high30 Ų3057.8 Ų57.816%0.15728%0.276CS..Hα-helixtrans-61.4-38.6171.9-69.9178.7000111.9M19 M61 Y100 A101 L106 E107 K108M19-L104 HydrophobicContact CE-CD1 3.78Å; M19-L104 HydrophobicContact SD-CD1 4.04Å; M61-L104 HydrophobicContact CE-CB 3.58Å; Y100-L104 HydrophobicContact CD1-CD1 3.91Å; Y100-L104 HydrophobicContact CD1-CG 4.24Å; Y100-L104 HydrophobicContact CE1-CD1 3.57Å; Y100-L104 HydrophobicContact CE1-CD2 4.14Å; Y100-L104 HydrophobicContact CE1-CG 3.88Å; Y100-L104 HydrophobicContact CE2-CD2 4.5Å; Y100-L104 PolarHBondContact O-N 2.88Å; A101-L104 PolarHBondContact O-N 3.44Å; L104-L106 VanDerWaalsContact C-N 3.35Å; L104-E107 PolarHBondContact O-N 3.25Å; L104-K108 WeakPolarHBondContact O-CB 3.42Å; L104-K108 PolarHBondContact O-N 3.24Å
105A97.5Very high95.5Very high0 Ų062.7 Ų62.70%031%0.308CS..Hα-helixtrans-64.6-40.4175.500000111.6V58 M61 L62 A101 Y102 F103 K108 L109V58-A105 HydrophobicContact CG1-CB 4.25Å; M61-A105 HydrophobicContact CB-CB 4.05Å; M61-A105 HydrophobicContact CE-CB 4.07Å; M61-A105 HydrophobicContact SD-CB 4.33Å; L62-A105 HydrophobicContact CD2-CB 3.53Å; L62-A105 HydrophobicContact CG-CB 3.99Å; A101-A105 WeakPolarHBondContact O-CB 3.35Å; A101-A105 PolarHBondContact O-N 3.41Å; Y102-A105 PolarHBondContact O-N 2.82Å; F103-A105 VanDerWaalsContact C-N 3.28Å; F103-A105 PolarHBondContact O-N 3.21Å; A105-K108 PolarHBondContact O-N 3.38Å; A105-L109 PolarHBondContact O-N 3.45Å; A105-L109 VanDerWaalsContact O-N 3.08Å
106L96.8Very high95.3Very high44 Ų4463.9 Ų63.923%0.2331%0.312CS..Hα-helixtrans-65.4-43.6173.8178.559.3000112.2Y102 F103 L104 K108 L109 S110 V118 F121Y102-L106 PolarHBondContact O-N 3.17Å; Y102-L106 VanDerWaalsContact O-N 3.11Å; F103-L106 WeakPolarHBondContact O-CB 3.34Å; F103-L106 PolarHBondContact O-N 3.15Å; L104-L106 VanDerWaalsContact C-N 3.35Å; L106-K108 PolarHBondContact O-N 3.19Å; L106-L109 PolarHBondContact O-N 3.28Å; L106-S110 PolarHBondContact O-N 2.99Å; L106-V118 HydrophobicContact CD1-CB 4.5Å; L106-V118 HydrophobicContact CD1-CG1 4.27Å; L106-V118 HydrophobicContact CD1-CG2 4.13Å; L106-F121 HydrophobicContact CB-CE1 4.16Å; L106-F121 HydrophobicContact CB-CE2 4.27Å; L106-F121 HydrophobicContact CB-CZ 3.95Å; L106-F121 HydrophobicContact CD1-CB 4.38Å; L106-F121 HydrophobicContact CD1-CD1 3.82Å; L106-F121 HydrophobicContact CD1-CD2 4.4Å; L106-F121 HydrophobicContact CD1-CE1 4.15Å; L106-F121 HydrophobicContact CD1-CG 3.96Å; L106-F121 HydrophobicContact CD2-CE1 4.3Å; L106-F121 HydrophobicContact CG-CE1 4.44Å
107E95Very high95.2Very high111 Ų11159.6 Ų59.652%0.51929%0.289SS..Hα-helixtrans-58.1-49174.9-178.2-175.4-130.400110.5F103 L104 L109 S110 L111F103-E107 PolarHBondContact O-N 3.26Å; L104-E107 PolarHBondContact O-N 3.25Å; E107-L109 VanDerWaalsContact C-N 3.29Å; E107-L109 PolarHBondContact O-N 3.43Å; E107-S110 WeakPolarHBondContact O-CB 3.45Å; E107-S110 PolarHBondContact O-N 3.4Å; E107-S110 PolarHBondContact O-OG 3.13Å; E107-L111 PolarHBondContact O-N 3.45Å
108K95.4Very high95Very high67 Ų6762.4 Ų62.429%0.29131%0.306SS..Hα-helixtrans-58.3-38.7177.7-177.8-177.7-82-107.10112.3V54 D57 V58 M61 L104 A105 L106 L111V54-K108 HydrophobicContact CG1-CG 4.03Å; D57-K108 HydrophobicContact CB-CD 3.98Å; D57-K108 IonicContact OD2-NZ 3.32Å; D57-K108 PolarHBondContact OD2-NZ 2.9Å; V58-K108 HydrophobicContact CG2-CB 4.09Å; V58-K108 HydrophobicContact CG2-CD 3.74Å; V58-K108 HydrophobicContact CG2-CG 3.92Å; M61-K108 HydrophobicContact SD-CD 4.14Å; L104-K108 WeakPolarHBondContact O-CB 3.42Å; L104-K108 PolarHBondContact O-N 3.24Å; A105-K108 PolarHBondContact O-N 3.38Å; L106-K108 PolarHBondContact O-N 3.19Å; K108-L111 WeakPolarHBondContact O-CB 3.17Å
109L94.8Very high94.9Very high0 Ų068.9 Ų68.90%033%0.334CS..Hα-helixtrans-66.5-37.7173.1-77.3-179.6000113V58 A105 L106 E107 L111 L112 F121 L168V58-L109 HydrophobicContact CB-CD2 4.13Å; V58-L109 HydrophobicContact CB-CG 4.22Å; V58-L109 HydrophobicContact CG1-CD1 3.8Å; V58-L109 HydrophobicContact CG1-CD2 3.95Å; V58-L109 HydrophobicContact CG1-CG 3.69Å; V58-L109 HydrophobicContact CG2-CD2 3.79Å; V58-L109 HydrophobicContact CG2-CG 3.75Å; A105-L109 PolarHBondContact O-N 3.45Å; A105-L109 VanDerWaalsContact O-N 3.08Å; L106-L109 PolarHBondContact O-N 3.28Å; E107-L109 VanDerWaalsContact C-N 3.29Å; E107-L109 PolarHBondContact O-N 3.43Å; L109-L111 PolarHBondContact O-N 3.42Å; L109-L112 HydrophobicContact CD2-CD1 4.14Å; L109-L112 VanDerWaalsContact O-CB 3.32Å; L109-L112 WeakPolarHBondContact O-CB 3.4Å; L109-L112 PolarHBondContact O-N 2.98Å; L109-F121 HydrophobicContact CD1-CB 4.17Å; L109-F121 HydrophobicContact CD1-CD2 3.62Å; L109-F121 HydrophobicContact CD1-CE2 4.42Å; L109-F121 HydrophobicContact CD1-CG 4.3Å; L109-L168 HydrophobicContact CD1-CD1 3.99Å; L109-L168 HydrophobicContact CD1-CD2 4.25Å; L109-L168 HydrophobicContact CD2-CD1 3.84Å; L109-L168 HydrophobicContact CD2-CD2 4.2Å
110S91.1Very high94.8Very high49 Ų4966.2 Ų66.234%0.34332%0.32SS..Hα-helixtrans-61.9-25.1-178.8780000112.9L106 E107 L112 E113L106-S110 PolarHBondContact O-N 2.99Å; E107-S110 WeakPolarHBondContact O-CB 3.45Å; E107-S110 PolarHBondContact O-N 3.4Å; E107-S110 PolarHBondContact O-OG 3.13Å; S110-L112 PolarHBondContact O-N 3.42Å; S110-E113 PolarHBondContact O-N 3.37Å
111L90.2Very high94.8Very high127 Ų12763.3 Ų63.367%0.66531%0.309SS*.THydrogen-bonded Turntrans-67.7-12174.4-58.8177.4000114E107 K108 L109 E113E107-L111 PolarHBondContact O-N 3.45Å; K108-L111 WeakPolarHBondContact O-CB 3.17Å; L109-L111 PolarHBondContact O-N 3.42Å; L111-E113 PolarHBondContact O-N 2.87Å
112L92.8Very high94.7Very high24 Ų2466.5 Ų66.513%0.12633%0.328CS..THydrogen-bonded Turntrans-77.4-3173.3-61.1-178.8000113I51 V54 I55 L109 S110 R114 T117 F172I51-L112 HydrophobicContact CD1-CD2 3.73Å; I51-L112 HydrophobicContact CG2-CD1 4.4Å; I51-L112 HydrophobicContact CG2-CD2 4.44Å; V54-L112 HydrophobicContact CB-CD2 4.01Å; V54-L112 HydrophobicContact CG1-CD1 4.03Å; V54-L112 HydrophobicContact CG1-CD2 3.78Å; V54-L112 HydrophobicContact CG1-CG 3.96Å; V54-L112 HydrophobicContact CG2-CD2 4.18Å; I55-L112 HydrophobicContact CG1-CD1 4.38Å; L109-L112 HydrophobicContact CD2-CD1 4.14Å; L109-L112 VanDerWaalsContact O-CB 3.32Å; L109-L112 WeakPolarHBondContact O-CB 3.4Å; L109-L112 PolarHBondContact O-N 2.98Å; S110-L112 PolarHBondContact O-N 3.42Å; L112-R114 PolarHBondContact O-N 2.92Å; L112-R114 VanDerWaalsContact O-N 3.11Å; L112-T117 HydrophobicContact CD1-CG2 4.44Å; L112-F172 HydrophobicContact CB-CZ 3.95Å; L112-F172 HydrophobicContact CD1-CE2 4.04Å; L112-F172 HydrophobicContact CD1-CZ 4.03Å
113E87.6Confident94.6Very high172 Ų17268.4 Ų68.480%0.80434%0.338SS*.  trans54.432.5175.4-59.4-175.4168.700113.8S110 L111S110-E113 PolarHBondContact O-N 3.37Å; L111-E113 PolarHBondContact O-N 2.87Å
114R90.3Very high94.5Very high128 Ų12862.5 Ų62.548%0.48331%0.312SS..  trans-121.1104.4174.5-69.5-61.2-174165.7-0.8110.1L112 E116 T117 F172L112-R114 PolarHBondContact O-N 2.92Å; L112-R114 VanDerWaalsContact O-N 3.11Å; R114-E116 PolarHBondContact O-N 3.43Å; R114-E116 VanDerWaalsContact O-N 3.07Å; R114-T117 HydrophobicContact CB-CG2 3.83Å; R114-T117 WeakPolarHBondContact O-CB 3.3Å; R114-T117 WeakPolarHBondContact O-CG2 3.19Å; R114-T117 PolarHBondContact O-N 2.77Å; R114-T117 PolarHBondContact O-OG1 3.34Å; R114-F172 HydrophobicContact CB-CZ 4.16Å; R114-F172 HydrophobicContact CG-CE1 3.7Å; R114-F172 HydrophobicContact CG-CZ 3.55Å
115P90.5Very high94.5Very high103 Ų10362 Ų6267%0.66931%0.309SS*.Hα-helixtrans-54-29.1-179.5-25.633.1000114T117 V118P115-T117 PolarHBondContact O-N 3.06Å; P115-V118 PolarHBondContact O-N 3.28Å
116E95.7Very high94.6Very high89 Ų8966.4 Ų66.442%0.41633%0.332SS..Hα-helixtrans-61.4-27.2177.4-58.388.916100112.4R114 V118 K119 I120 L171R114-E116 PolarHBondContact O-N 3.43Å; R114-E116 VanDerWaalsContact O-N 3.07Å; E116-V118 VanDerWaalsContact C-N 3.34Å; E116-V118 PolarHBondContact O-N 3.32Å; E116-K119 PolarHBondContact O-N 3.37Å; E116-I120 VanDerWaalsContact O-CG1 3.29Å; E116-I120 WeakPolarHBondContact O-CG1 3.14Å; E116-I120 PolarHBondContact O-N 3.03Å; E116-L171 HydrophobicContact CB-CD1 3.81Å; E116-L171 HydrophobicContact CB-CD2 3.75Å; E116-L171 HydrophobicContact CB-CG 4.46Å; E116-L171 HydrophobicContact CG-CD2 4.34Å
117T96.3Very high94.6Very high1 Ų166.2 Ų66.21%0.00633%0.333CS..Hα-helixtrans-60.5-43.5177.159.10000111.6L112 R114 P115 I120 F121 L168 L171 F172L112-T117 HydrophobicContact CD1-CG2 4.44Å; R114-T117 HydrophobicContact CB-CG2 3.83Å; R114-T117 WeakPolarHBondContact O-CB 3.3Å; R114-T117 WeakPolarHBondContact O-CG2 3.19Å; R114-T117 PolarHBondContact O-N 2.77Å; R114-T117 PolarHBondContact O-OG1 3.34Å; P115-T117 PolarHBondContact O-N 3.06Å; T117-I120 PolarHBondContact O-N 3.25Å; T117-F121 VanDerWaalsContact O-CB 3.23Å; T117-F121 WeakPolarHBondContact O-CB 3.41Å; T117-F121 PolarHBondContact O-N 3.08Å; T117-L168 HydrophobicContact CG2-CD2 3.99Å; T117-L171 HydrophobicContact CG2-CD1 3.71Å; T117-F172 HydrophobicContact CG2-CE2 4.42Å
118V94.5Very high94.6Very high58 Ų5861.8 Ų61.835%0.35231%0.313SS..Hα-helixtrans-66.4-39.2178178.10000110.8L106 P115 E116 T122L106-V118 HydrophobicContact CD1-CB 4.5Å; L106-V118 HydrophobicContact CD1-CG1 4.27Å; L106-V118 HydrophobicContact CD1-CG2 4.13Å; P115-V118 PolarHBondContact O-N 3.28Å; E116-V118 VanDerWaalsContact C-N 3.34Å; E116-V118 PolarHBondContact O-N 3.32Å; V118-T122 WeakPolarHBondContact O-CB 3.48Å; V118-T122 PolarHBondContact O-N 3.29Å; V118-T122 PolarHBondContact O-OG1 3.49Å
119K95.8Very high94.7Very high136 Ų13663 Ų6359%0.59132%0.319SS*.Hα-helixtrans-63.7-49.9176.3-178.6177.8174.8-179.10111.3E116 F121 T122 E123E116-K119 PolarHBondContact O-N 3.37Å; K119-F121 PolarHBondContact O-N 2.84Å; K119-T122 PolarHBondContact O-N 3.43Å; K119-E123 WeakPolarHBondContact CE-OE1 3.45Å; K119-E123 WeakPolarHBondContact CG-OE1 3.36Å; K119-E123 WeakPolarHBondContact O-CB 3.5Å; K119-E123 VanDerWaalsContact O-CG 3.31Å; K119-E123 WeakPolarHBondContact O-CG 3.17Å; K119-E123 PolarHBondContact O-N 3.48Å
120I97Very high94.8Very high11 Ų1170.6 Ų70.66%0.05635%0.348CS..Hα-helixtrans-62-45.6178.3-65.3171.6000110.2E116 T117 T122 E123 Q124 L164 R167 L168 L171E116-I120 VanDerWaalsContact O-CG1 3.29Å; E116-I120 WeakPolarHBondContact O-CG1 3.14Å; E116-I120 PolarHBondContact O-N 3.03Å; T117-I120 PolarHBondContact O-N 3.25Å; I120-T122 PolarHBondContact O-N 3.15Å; I120-E123 PolarHBondContact O-N 2.7Å; I120-Q124 HydrophobicContact CG2-CG 4.27Å; I120-Q124 WeakPolarHBondContact O-CB 3.23Å; I120-Q124 VanDerWaalsContact O-CG 3.32Å; I120-Q124 WeakPolarHBondContact O-CG 3.15Å; I120-Q124 PolarHBondContact O-N 3.46Å; I120-L164 HydrophobicContact CG2-CD1 3.8Å; I120-R167 HydrophobicContact CD1-CB 4.16Å; I120-R167 HydrophobicContact CG2-CB 3.64Å; I120-L168 HydrophobicContact CB-CD2 4.49Å; I120-L168 HydrophobicContact CG2-CD2 4.43Å; I120-L168 HydrophobicContact CG2-CG 4.43Å; I120-L171 HydrophobicContact CD1-CD1 3.56Å; I120-L171 HydrophobicContact CD1-CD2 3.93Å; I120-L171 HydrophobicContact CD1-CG 3.67Å
121F97.1Very high95.1Very high18 Ų1868.3 Ų68.38%0.07933%0.332CS..Hα-helixtrans-52-54.7174.4-179.9-85.4000111.2L62 L106 L109 T117 K119 E123 Q124 M125 L164L62-F121 HydrophobicContact CD1-CD2 4.23Å; L62-F121 HydrophobicContact CD1-CE2 3.77Å; L62-F121 HydrophobicContact CD2-CE2 3.72Å; L62-F121 HydrophobicContact CD2-CZ 4.05Å; L62-F121 HydrophobicContact CG-CE2 4.33Å; L106-F121 HydrophobicContact CB-CE1 4.16Å; L106-F121 HydrophobicContact CB-CE2 4.27Å; L106-F121 HydrophobicContact CB-CZ 3.95Å; L106-F121 HydrophobicContact CD1-CB 4.38Å; L106-F121 HydrophobicContact CD1-CD1 3.82Å; L106-F121 HydrophobicContact CD1-CD2 4.4Å; L106-F121 HydrophobicContact CD1-CE1 4.15Å; L106-F121 HydrophobicContact CD1-CG 3.96Å; L106-F121 HydrophobicContact CD2-CE1 4.3Å; L106-F121 HydrophobicContact CG-CE1 4.44Å; L109-F121 HydrophobicContact CD1-CB 4.17Å; L109-F121 HydrophobicContact CD1-CD2 3.62Å; L109-F121 HydrophobicContact CD1-CE2 4.42Å; L109-F121 HydrophobicContact CD1-CG 4.3Å; T117-F121 VanDerWaalsContact O-CB 3.23Å; T117-F121 WeakPolarHBondContact O-CB 3.41Å; T117-F121 PolarHBondContact O-N 3.08Å; K119-F121 PolarHBondContact O-N 2.84Å; F121-E123 PolarHBondContact O-N 2.99Å; F121-Q124 PolarHBondContact O-N 2.87Å; F121-M125 HydrophobicContact CD1-CG 3.91Å; F121-M125 HydrophobicContact CD2-CG 4.46Å; F121-M125 HydrophobicContact CE1-CG 3.63Å; F121-M125 HydrophobicContact CE2-CG 4.26Å; F121-M125 HydrophobicContact CG-CG 4.32Å; F121-M125 HydrophobicContact CZ-CG 3.83Å; F121-M125 HydrophobicContact CZ-SD 4.44Å; F121-M125 WeakPolarHBondContact O-CB 3.3Å; F121-M125 VanDerWaalsContact O-CG 3.27Å; F121-M125 WeakPolarHBondContact O-CG 3.35Å; F121-M125 PolarHBondContact O-N 3.46Å; F121-L164 HydrophobicContact CB-CD1 4.42Å; F121-L164 HydrophobicContact CD2-CD2 4.32Å
122T96.7Very high95.5Very high67 Ų6763 Ų6341%0.41130%0.304SS..Hα-helixtrans-60.6-47.2-177.7-55.40000111.4V118 K119 I120 Q124 M125 L126V118-T122 WeakPolarHBondContact O-CB 3.48Å; V118-T122 PolarHBondContact O-N 3.29Å; V118-T122 PolarHBondContact O-OG1 3.49Å; K119-T122 PolarHBondContact O-N 3.43Å; I120-T122 PolarHBondContact O-N 3.15Å; T122-Q124 VanDerWaalsContact C-N 3.34Å; T122-Q124 PolarHBondContact O-N 3.11Å; T122-M125 PolarHBondContact O-N 3.46Å; T122-L126 HydrophobicContact CG2-CD1 4.12Å; T122-L126 WeakPolarHBondContact O-CB 3.38Å; T122-L126 VanDerWaalsContact O-CG 3.26Å; T122-L126 WeakPolarHBondContact O-CG 3.32Å; T122-L126 PolarHBondContact O-N 3.3Å
123E96.6Very high95.7Very high62 Ų6263.5 Ų63.529%0.2932%0.315SS..Hα-helixtrans-56.5-47.2177.5-75172.8-175.200111.9K119 I120 F121 L126 V127 R167K119-E123 WeakPolarHBondContact CE-OE1 3.45Å; K119-E123 WeakPolarHBondContact CG-OE1 3.36Å; K119-E123 WeakPolarHBondContact O-CB 3.5Å; K119-E123 VanDerWaalsContact O-CG 3.31Å; K119-E123 WeakPolarHBondContact O-CG 3.17Å; K119-E123 PolarHBondContact O-N 3.48Å; I120-E123 PolarHBondContact O-N 2.7Å; F121-E123 PolarHBondContact O-N 2.99Å; E123-L126 PolarHBondContact O-N 3.5Å; E123-V127 WeakPolarHBondContact O-CG2 3.32Å; E123-V127 PolarHBondContact O-N 2.82Å; E123-V127 VanDerWaalsContact O-N 3.12Å; E123-R167 IonicContact OE2-CZ 3.44Å; E123-R167 VanDerWaalsContact OE2-CZ 3.26Å; E123-R167 IonicContact OE2-NH1 2.62Å; E123-R167 PolarHBondContact OE2-NH1 2.94Å; E123-R167 IonicContact OE2-NH2 2.94Å; E123-R167 PolarHBondContact OE2-NH2 2.99Å
124Q96.6Very high96.2Very high15 Ų1559.1 Ų59.17%0.0730%0.296CS..Hα-helixtrans-75.5-35.7-176.2-63.6-47.4-55.300113I120 F121 T122 L126 V127 L128 G160 S163 L164I120-Q124 HydrophobicContact CG2-CG 4.27Å; I120-Q124 WeakPolarHBondContact O-CB 3.23Å; I120-Q124 VanDerWaalsContact O-CG 3.32Å; I120-Q124 WeakPolarHBondContact O-CG 3.15Å; I120-Q124 PolarHBondContact O-N 3.46Å; F121-Q124 PolarHBondContact O-N 2.87Å; T122-Q124 VanDerWaalsContact C-N 3.34Å; T122-Q124 PolarHBondContact O-N 3.11Å; Q124-L126 VanDerWaalsContact C-N 3.33Å; Q124-L126 PolarHBondContact O-N 3.42Å; Q124-V127 PolarHBondContact O-N 2.75Å; Q124-L128 WeakPolarHBondContact O-CB 2.9Å; Q124-L128 PolarHBondContact O-N 3.46Å; Q124-G160 PolarHBondContact OE1-O 3.1Å; Q124-S163 VanDerWaalsContact OE1-CB 3.29Å; Q124-S163 PolarHBondContact OE1-OG 3.36Å; Q124-L164 HydrophobicContact CB-CB 3.79Å; Q124-L164 HydrophobicContact CB-CD1 4.18Å; Q124-L164 HydrophobicContact CB-CG 4.4Å; Q124-L164 HydrophobicContact CG-CB 3.87Å; Q124-L164 HydrophobicContact CG-CD1 4.2Å
125M97Very high96.5Very high20 Ų2053.4 Ų53.410%0.09928%0.275CS..Hα-helixtrans-64.3-39173.4-67.6-50.7-6200111.2L62 Y102 F121 T122 L128 H129L62-M125 HydrophobicContact CD1-SD 4.25Å; L62-M125 HydrophobicContact CD2-SD 4.43Å; Y102-M125 HydrophobicContact CD1-CE 3.97Å; Y102-M125 HydrophobicContact CE1-CE 3.65Å; F121-M125 HydrophobicContact CD1-CG 3.91Å; F121-M125 HydrophobicContact CD2-CG 4.46Å; F121-M125 HydrophobicContact CE1-CG 3.63Å; F121-M125 HydrophobicContact CE2-CG 4.26Å; F121-M125 HydrophobicContact CG-CG 4.32Å; F121-M125 HydrophobicContact CZ-CG 3.83Å; F121-M125 HydrophobicContact CZ-SD 4.44Å; F121-M125 WeakPolarHBondContact O-CB 3.3Å; F121-M125 VanDerWaalsContact O-CG 3.27Å; F121-M125 WeakPolarHBondContact O-CG 3.35Å; F121-M125 PolarHBondContact O-N 3.46Å; T122-M125 PolarHBondContact O-N 3.46Å; M125-L128 PolarHBondContact O-N 2.88Å; M125-H129 PolarHBondContact O-N 3Å; M125-H129 PolarHBondContact O-ND1 2.78Å
126L97.8Very high96.8Very high92 Ų9250.9 Ų50.948%0.48226%0.255SS..Hα-helixtrans-63.4-42174-73171.2000112.3T122 E123 Q124 R130T122-L126 HydrophobicContact CG2-CD1 4.12Å; T122-L126 WeakPolarHBondContact O-CB 3.38Å; T122-L126 VanDerWaalsContact O-CG 3.26Å; T122-L126 WeakPolarHBondContact O-CG 3.32Å; T122-L126 PolarHBondContact O-N 3.3Å; E123-L126 PolarHBondContact O-N 3.5Å; Q124-L126 VanDerWaalsContact C-N 3.33Å; Q124-L126 PolarHBondContact O-N 3.42Å; L126-R130 VanDerWaalsContact O-CG 3.3Å; L126-R130 WeakPolarHBondContact O-CG 3.43Å; L126-R130 PolarHBondContact O-N 2.84Å; L126-R130 VanDerWaalsContact O-N 3.09Å
127V97.1Very high96.9Very high40 Ų4051.6 Ų51.624%0.24226%0.257CS..Hα-helixtrans-64-46.6176.8169.50000110.9E123 Q124 H129 R130 G131 C156E123-V127 WeakPolarHBondContact O-CG2 3.32Å; E123-V127 PolarHBondContact O-N 2.82Å; E123-V127 VanDerWaalsContact O-N 3.12Å; Q124-V127 PolarHBondContact O-N 2.75Å; V127-H129 PolarHBondContact O-N 3.43Å; V127-R130 WeakPolarHBondContact O-CB 3.35Å; V127-R130 PolarHBondContact O-N 3.07Å; V127-G131 PolarHBondContact O-N 3.12Å; V127-G131 VanDerWaalsContact O-N 3.1Å; V127-C156 HydrophobicContact CG1-CB 3.99Å; V127-C156 WeakPolarHBondContact O-CB 3.2Å
128L96.1Very high97Very high18 Ų1852 Ų529%0.09426%0.259CS..Hα-helixtrans-56.7-49.7178.1-174.5157.2000111.6Q124 M125 R130 G131 Q132 C156 L161Q124-L128 WeakPolarHBondContact O-CB 2.9Å; Q124-L128 PolarHBondContact O-N 3.46Å; M125-L128 PolarHBondContact O-N 2.88Å; L128-R130 VanDerWaalsContact C-N 3.32Å; L128-R130 PolarHBondContact O-N 3.43Å; L128-G131 PolarHBondContact O-N 3.09Å; L128-G131 VanDerWaalsContact O-N 3.14Å; L128-Q132 PolarHBondContact O-N 3.49Å; L128-C156 WeakPolarHBondContact CA-O 3.44Å; L128-L161 HydrophobicContact CD1-CB 4.17Å
129H97Very high97Very high92 Ų9251.5 Ų51.543%0.42625%0.25SS..Hα-helixtrans-68-29.3-179.2-73.883.2000113.1M125 V127 G133M125-H129 PolarHBondContact O-N 3Å; M125-H129 PolarHBondContact O-ND1 2.78Å; V127-H129 PolarHBondContact O-N 3.43Å; H129-G133 PolarHBondContact O-N 3.46Å
130R97.6Very high96.9Very high160 Ų16049 Ų4960%0.60425%0.25SC*.Hα-helixtrans-64.3-42.5170.5-75.5171.4-177.6144.60.8111.5L126 V127 L128 G133 M134L126-R130 VanDerWaalsContact O-CG 3.3Å; L126-R130 WeakPolarHBondContact O-CG 3.43Å; L126-R130 PolarHBondContact O-N 2.84Å; L126-R130 VanDerWaalsContact O-N 3.09Å; V127-R130 WeakPolarHBondContact O-CB 3.35Å; V127-R130 PolarHBondContact O-N 3.07Å; L128-R130 VanDerWaalsContact C-N 3.32Å; L128-R130 PolarHBondContact O-N 3.43Å; R130-G133 PolarHBondContact O-N 2.9Å; R130-M134 WeakPolarHBondContact O-CG 3.42Å; R130-M134 PolarHBondContact O-N 3.3Å; R130-M134 VanDerWaalsContact O-N 3.14Å
131G97.6Very high96.8Very high1 Ų150.8 Ų50.81%0.0126%0.263CS..Hα-helixtrans-60.7-54.1174.700000111.5V127 L128 G133 M134 D135 M153V127-G131 PolarHBondContact O-N 3.12Å; V127-G131 VanDerWaalsContact O-N 3.1Å; L128-G131 PolarHBondContact O-N 3.09Å; L128-G131 VanDerWaalsContact O-N 3.14Å; G131-G133 VanDerWaalsContact C-N 3.29Å; G131-G133 PolarHBondContact O-N 3.25Å; G131-M134 PolarHBondContact O-N 3.1Å; G131-M134 VanDerWaalsContact O-N 3.14Å; G131-D135 PolarHBondContact O-N 2.99Å; G131-D135 VanDerWaalsContact O-N 3.08Å; G131-M153 WeakPolarHBondContact O-CG 3.44Å
132Q97.4Very high96.6Very high15 Ų1554.3 Ų54.37%0.0728%0.279CS..Hα-helixtrans-56.3-43.1177.4-172.866.29.400112.3D70 E73 L128 M134 D135 I136 K157D70-Q132 PolarHBondContact OD2-NE2 2.93Å; E73-Q132 WeakPolarHBondContact OE2-CG 3.2Å; E73-Q132 PolarHBondContact OE2-NE2 3.5Å; L128-Q132 PolarHBondContact O-N 3.49Å; Q132-M134 VanDerWaalsContact C-N 3.33Å; Q132-M134 PolarHBondContact O-N 2.95Å; Q132-D135 WeakPolarHBondContact O-CB 3.18Å; Q132-D135 PolarHBondContact O-N 3.01Å; Q132-I136 HydrophobicContact CG-CD1 3.96Å; Q132-I136 WeakPolarHBondContact O-CG1 3.49Å; Q132-I136 PolarHBondContact O-N 2.83Å; Q132-K157 VanDerWaalsContact OE1-CD 3.25Å
133G97.6Very high96.5Very high36 Ų3656.7 Ų56.737%0.37128%0.284SS..Hα-helixtrans-61.9-37.6178.600000113.5H129 R130 G131 F137H129-G133 PolarHBondContact O-N 3.46Å; R130-G133 PolarHBondContact O-N 2.9Å; G131-G133 VanDerWaalsContact C-N 3.29Å; G131-G133 PolarHBondContact O-N 3.25Å; G133-F137 VanDerWaalsContact O-CB 3.27Å; G133-F137 WeakPolarHBondContact O-CB 3.4Å; G133-F137 PolarHBondContact O-N 3.04Å
134M97.9Very high96.5Very high80 Ų8055 Ų5539%0.39428%0.278SS..Hα-helixtrans-71-38.4175.6-69.1-52.4-54.500112.5R130 G131 Q132 I136 F137 W138 M153R130-M134 WeakPolarHBondContact O-CG 3.42Å; R130-M134 PolarHBondContact O-N 3.3Å; R130-M134 VanDerWaalsContact O-N 3.14Å; G131-M134 PolarHBondContact O-N 3.1Å; G131-M134 VanDerWaalsContact O-N 3.14Å; Q132-M134 VanDerWaalsContact C-N 3.33Å; Q132-M134 PolarHBondContact O-N 2.95Å; M134-I136 VanDerWaalsContact C-N 3.35Å; M134-I136 PolarHBondContact O-N 2.89Å; M134-F137 HydrophobicContact CE-CD1 3.86Å; M134-F137 HydrophobicContact CE-CE1 4.49Å; M134-F137 PolarHBondContact O-N 3.42Å; M134-W138 HydrophobicContact CB-CH2 4.27Å; M134-W138 HydrophobicContact CB-CZ2 4.33Å; M134-W138 HydrophobicContact CB-CZ3 4.48Å; M134-W138 HydrophobicContact CE-CZ2 3.92Å; M134-W138 VanDerWaalsContact O-CD2 3.27Å; M134-W138 PolarHBondContact O-N 3.06Å; M134-W138 VanDerWaalsContact O-N 3.08Å; M134-M153 HydrophobicContact CB-CB 4.42Å; M134-M153 HydrophobicContact CB-CG 4.03Å
135D96.9Very high96.6Very high8 Ų854.3 Ų54.34%0.04328%0.275CS..Hα-helixtrans-56.6-49.6174.1-162.220.2000110.6G131 Q132 R139 M153 K157G131-D135 PolarHBondContact O-N 2.99Å; G131-D135 VanDerWaalsContact O-N 3.08Å; Q132-D135 WeakPolarHBondContact O-CB 3.18Å; Q132-D135 PolarHBondContact O-N 3.01Å; D135-R139 PolarHBondContact O-N 3.07Å; D135-M153 HydrophobicContact CB-CE 4.05Å; D135-M153 HydrophobicContact CB-CG 4.27Å; D135-M153 HydrophobicContact CB-SD 3.94Å; D135-K157 IonicContact OD2-NZ 3.52Å; D135-K157 PolarHBondContact OD2-NZ 2.87Å
136I97.3Very high96.6Very high49 Ų4955.2 Ų55.225%0.25128%0.283SS..Hα-helixtrans-66.1-39.7176.8-64.5167.5000111.9E73 Q132 M134 W138 R139 S140E73-I136 HydrophobicContact CB-CD1 4.23Å; E73-I136 HydrophobicContact CG-CD1 4.2Å; Q132-I136 HydrophobicContact CG-CD1 3.96Å; Q132-I136 WeakPolarHBondContact O-CG1 3.49Å; Q132-I136 PolarHBondContact O-N 2.83Å; M134-I136 VanDerWaalsContact C-N 3.35Å; M134-I136 PolarHBondContact O-N 2.89Å; I136-W138 PolarHBondContact O-N 3.22Å; I136-R139 PolarHBondContact O-N 2.86Å; I136-S140 WeakPolarHBondContact O-CB 3.48Å; I136-S140 PolarHBondContact O-N 3.25Å; I136-S140 PolarHBondContact O-OG 2.62Å
137F97.7Very high96.6Very high104 Ų10453.1 Ų53.146%0.45627%0.271SS..Hα-helixtrans-60.3-45.3-179.8168.8-99.4000111.7G133 M134 S140 S141G133-F137 VanDerWaalsContact O-CB 3.27Å; G133-F137 WeakPolarHBondContact O-CB 3.4Å; G133-F137 PolarHBondContact O-N 3.04Å; M134-F137 HydrophobicContact CE-CD1 3.86Å; M134-F137 HydrophobicContact CE-CE1 4.49Å; M134-F137 PolarHBondContact O-N 3.42Å; F137-S140 PolarHBondContact O-N 3.37Å; F137-S141 VanDerWaalsContact O-CB 3.29Å; F137-S141 WeakPolarHBondContact O-CB 3.31Å; F137-S141 PolarHBondContact O-N 3.02Å; F137-S141 PolarHBondContact O-OG 2.87Å
138W97.5Very high96.7Very high10 Ų1055.2 Ų55.24%0.03829%0.287CS..Hα-helixtrans-64.1-46.4179.8-66.2-43.4000111.7M134 I136 S140 S141 F142 K143 P145 E149 M153 F219M134-W138 HydrophobicContact CB-CH2 4.27Å; M134-W138 HydrophobicContact CB-CZ2 4.33Å; M134-W138 HydrophobicContact CB-CZ3 4.48Å; M134-W138 HydrophobicContact CE-CZ2 3.92Å; M134-W138 VanDerWaalsContact O-CD2 3.27Å; M134-W138 PolarHBondContact O-N 3.06Å; M134-W138 VanDerWaalsContact O-N 3.08Å; I136-W138 PolarHBondContact O-N 3.22Å; W138-S140 VanDerWaalsContact C-N 3.31Å; W138-S140 PolarHBondContact O-N 2.8Å; W138-S141 PolarHBondContact O-N 3.09Å; W138-S141 PolarHBondContact O-OG 3.25Å; W138-F142 PolarHBondContact O-N 3.32Å; W138-K143 WeakPolarHBondContact CB-O 3.39Å; W138-K143 VanDerWaalsContact CD1-O 3.3Å; W138-K143 PolarHBondContact O-N 3.35Å; W138-P145 HydrophobicContact CD2-CB 3.81Å; W138-P145 HydrophobicContact CD2-CG 3.86Å; W138-P145 HydrophobicContact CE3-CB 4Å; W138-P145 HydrophobicContact CE3-CG 3.73Å; W138-P145 HydrophobicContact CG-CB 4.43Å; W138-P145 HydrophobicContact CG-CG 4.38Å; W138-P145 HydrophobicContact CH2-CB 3.85Å; W138-P145 HydrophobicContact CH2-CG 4.33Å; W138-P145 HydrophobicContact CZ2-CB 3.69Å; W138-P145 HydrophobicContact CZ2-CG 4.48Å; W138-P145 HydrophobicContact CZ3-CB 4Å; W138-P145 HydrophobicContact CZ3-CG 3.96Å; W138-E149 HydrophobicContact CH2-CB 4.14Å; W138-E149 WeakPolarHBondContact CH2-O 3.44Å; W138-E149 HydrophobicContact CZ2-CB 3.9Å; W138-M153 HydrophobicContact CH2-CB 3.49Å; W138-M153 VanDerWaalsContact CH2-CB 3.49Å; W138-M153 HydrophobicContact CH2-CG 4.11Å; W138-M153 HydrophobicContact CZ3-CB 3.51Å; W138-M153 HydrophobicContact CZ3-CE 3.95Å; W138-M153 HydrophobicContact CZ3-CG 3.69Å; W138-F219 HydrophobicContact CB-CD2 3.72Å; W138-F219 HydrophobicContact CB-CE2 4.18Å; W138-F219 VanDerWaalsContact O-CE2 3.29Å; W138-F219 WeakPolarHBondContact O-CE2 3.13Å
139R94.6Very high96.8Very high48 Ų4858.2 Ų58.218%0.18130%0.301CS..Hα-helixtrans-52-49.2172.5173.9-171.7175.9-179.610.7111.7E73 D74 D135 I136 E216E73-R139 PolarHBondContact O-NH1 3.11Å; D74-R139 PolarHBondContact O-NH2 3.49Å; D74-R139 IonicContact OD1-NH1 2.87Å; D135-R139 PolarHBondContact O-N 3.07Å; I136-R139 PolarHBondContact O-N 2.86Å; R139-E216 VanDerWaalsContact CD-O 3.31Å; R139-E216 WeakPolarHBondContact CD-O 3.18Å; R139-E216 WeakPolarHBondContact CG-O 3.39Å; R139-E216 PolarHBondContact NE-O 2.99Å; R139-E216 PolarHBondContact NH2-O 3.16Å
140S93.2Very high96.9Very high83 Ų8353.9 Ų53.958%0.5828%0.281SS*.Hα-helixtrans-75.9-25.8-174-53.80000113.9I136 F137 W138I136-S140 WeakPolarHBondContact O-CB 3.48Å; I136-S140 PolarHBondContact O-N 3.25Å; I136-S140 PolarHBondContact O-OG 2.62Å; F137-S140 PolarHBondContact O-N 3.37Å; W138-S140 VanDerWaalsContact C-N 3.31Å; W138-S140 PolarHBondContact O-N 2.8Å
141S95.2Very high96.9Very high48 Ų4848.6 Ų48.634%0.33626%0.263SS..Hα-helixtrans-97.5-4.2-179.761.20000113.5F137 W138 K143F137-S141 VanDerWaalsContact O-CB 3.29Å; F137-S141 WeakPolarHBondContact O-CB 3.31Å; F137-S141 PolarHBondContact O-N 3.02Å; F137-S141 PolarHBondContact O-OG 2.87Å; W138-S141 PolarHBondContact O-N 3.09Å; W138-S141 PolarHBondContact O-OG 3.25Å; S141-K143 PolarHBondContact O-N 2.76Å
142F92.7Very high97Very high93 Ų9351 Ų5141%0.40828%0.283SS..THydrogen-bonded Turntrans49.737.8-172.3-55.6-75.3000112.3W138 M237 H243W138-F142 PolarHBondContact O-N 3.32Å; F142-M237 HydrophobicContact CB-CE 3.73Å; F142-M237 WeakPolarHBondContact O-CE 3.43Å; F142-H243 AromaticContact CE1-NE2 3.66Å; F142-H243 AromaticContact CZ-NE2 3.81Å
143K94.3Very high97Very high117 Ų11750.8 Ų50.851%0.50928%0.282SS..  trans-107.7105.6177.7-175.5179.8176.3-174.80109.1W138 S141W138-K143 WeakPolarHBondContact CB-O 3.39Å; W138-K143 VanDerWaalsContact CD1-O 3.3Å; W138-K143 PolarHBondContact O-N 3.35Å; S141-K143 PolarHBondContact O-N 2.76Å
144C97.6Very high97Very high26 Ų2649 Ų4918%0.17626%0.264CS..PPolyproline II helixtrans-61.5125.6174.2-172.10000109.9F219 I227C144-F219 VanDerWaalsContact CA-CE1 3.49Å; C144-F219 HydrophobicContact CB-CD1 3.89Å; C144-F219 HydrophobicContact CB-CE1 3.54Å; C144-F219 HydrophobicContact CB-CZ 4.26Å; C144-I227 HydrophobicContact CB-CD1 4.44Å; C144-I227 HydrophobicContact CB-CG2 3.85Å
145P98.4Very high96.9Very high0 Ų047.5 Ų47.50%026%0.257CS..PPolyproline II helixtrans-70.3156.2172.229.9-34.6000110.9W138 E149 F219 V224 N228W138-P145 HydrophobicContact CD2-CB 3.81Å; W138-P145 HydrophobicContact CD2-CG 3.86Å; W138-P145 HydrophobicContact CE3-CB 4Å; W138-P145 HydrophobicContact CE3-CG 3.73Å; W138-P145 HydrophobicContact CG-CB 4.43Å; W138-P145 HydrophobicContact CG-CG 4.38Å; W138-P145 HydrophobicContact CH2-CB 3.85Å; W138-P145 HydrophobicContact CH2-CG 4.33Å; W138-P145 HydrophobicContact CZ2-CB 3.69Å; W138-P145 HydrophobicContact CZ2-CG 4.48Å; W138-P145 HydrophobicContact CZ3-CB 4Å; W138-P145 HydrophobicContact CZ3-CG 3.96Å; P145-E149 HydrophobicContact CB-CB 3.88Å; P145-F219 HydrophobicContact CG-CB 4.26Å; P145-V224 HydrophobicContact CG-CG2 3.94Å; P145-N228 PolarHBondContact O-ND2 2.99Å
146S98.2Very high96.9Very high40 Ų4049 Ų4928%0.2827%0.268SS..PPolyproline II helixtrans-66.6161.9159.460.70000110.8S148 E149 Y150S146-S148 VanDerWaalsContact C-N 3.26Å; S146-S148 PolarHBondContact O-N 3.26Å; S146-S148 PolarHBondContact OG-OG 3.26Å; S146-E149 WeakPolarHBondContact CB-OE2 3.48Å; S146-E149 PolarHBondContact N-OE2 3.5Å; S146-E149 PolarHBondContact O-N 2.72Å; S146-E149 WeakPolarHBondContact OG-CB 3.46Å; S146-E149 VanDerWaalsContact OG-CG 3.28Å; S146-E149 WeakPolarHBondContact OG-CG 3.43Å; S146-E149 PolarHBondContact OG-N 3.16Å; S146-E149 PolarHBondContact OG-OE2 3.2Å; S146-Y150 PolarHBondContact O-N 3.02Å
147E97.7Very high96.7Very high48 Ų4847.9 Ų47.922%0.22426%0.261CS..Hα-helixtrans-57-40.1176.7-176.317816400112Y150 E151 Y221 R225 K269E147-Y150 PolarHBondContact O-N 2.92Å; E147-E151 HydrophobicContact CG-CG 4.46Å; E147-E151 WeakPolarHBondContact O-CG 3.11Å; E147-E151 PolarHBondContact O-N 3.43Å; E147-Y221 HydrophobicContact CG-CE2 3.99Å; E147-Y221 PolarHBondContact OE1-OH 3.14Å; E147-R225 IonicContact OE2-CZ 2.75Å; E147-R225 IonicContact OE2-NH1 2.78Å; E147-R225 PolarHBondContact OE2-NH1 3.44Å; E147-K269 IonicContact OE1-NZ 2.64Å; E147-K269 PolarHBondContact OE1-NZ 3.11Å
148S98.3Very high96.2Very high83 Ų8344 Ų4458%0.5825%0.246SC*.Hα-helixtrans-67.9-37.1179.657.10000112.8S146 A152S146-S148 VanDerWaalsContact C-N 3.26Å; S146-S148 PolarHBondContact O-N 3.26Å; S146-S148 PolarHBondContact OG-OG 3.26Å; S148-A152 WeakPolarHBondContact O-CB 3.49Å; S148-A152 PolarHBondContact O-N 2.81Å
149E98.7Very high95.6Very high81 Ų8143.7 Ų43.738%0.37925%0.247SC..Hα-helixtrans-65-47.4172.9-75.9168.4131.900110.7W138 P145 S146 E151 A152 M153W138-E149 HydrophobicContact CH2-CB 4.14Å; W138-E149 WeakPolarHBondContact CH2-O 3.44Å; W138-E149 HydrophobicContact CZ2-CB 3.9Å; P145-E149 HydrophobicContact CB-CB 3.88Å; S146-E149 WeakPolarHBondContact CB-OE2 3.48Å; S146-E149 PolarHBondContact N-OE2 3.5Å; S146-E149 PolarHBondContact O-N 2.72Å; S146-E149 WeakPolarHBondContact OG-CB 3.46Å; S146-E149 VanDerWaalsContact OG-CG 3.28Å; S146-E149 WeakPolarHBondContact OG-CG 3.43Å; S146-E149 PolarHBondContact OG-N 3.16Å; S146-E149 PolarHBondContact OG-OE2 3.2Å; E149-E151 VanDerWaalsContact C-N 3.34Å; E149-E151 PolarHBondContact O-N 2.87Å; E149-A152 PolarHBondContact O-N 3.37Å; E149-M153 PolarHBondContact O-N 3.49Å
150Y98.6Very high95.3Very high2 Ų241.5 Ų41.51%0.00824%0.239CC..Hα-helixtrans-54.7-50.1174.1169.1-85.3000110.7S146 E147 A152 M153 V154 Q191 I192 D195 Y221 V224S146-Y150 PolarHBondContact O-N 3.02Å; E147-Y150 PolarHBondContact O-N 2.92Å; Y150-A152 VanDerWaalsContact C-N 3.34Å; Y150-A152 PolarHBondContact O-N 3.05Å; Y150-M153 HydrophobicContact CD2-CE 4.14Å; Y150-M153 HydrophobicContact CE2-CE 4.18Å; Y150-M153 WeakPolarHBondContact O-CB 3.47Å; Y150-M153 PolarHBondContact O-N 3.42Å; Y150-M153 VanDerWaalsContact O-N 3.14Å; Y150-V154 HydrophobicContact CD1-CG2 4.17Å; Y150-V154 HydrophobicContact CE1-CG2 3.59Å; Y150-V154 HydrophobicContact CE2-CG2 4.07Å; Y150-V154 WeakPolarHBondContact O-CG2 3.29Å; Y150-V154 PolarHBondContact O-N 2.91Å; Y150-Q191 WeakPolarHBondContact OH-CG 3.49Å; Y150-I192 HydrophobicContact CE1-CD1 4.32Å; Y150-I192 HydrophobicContact CE1-CG1 3.94Å; Y150-D195 PolarHBondContact OH-OD2 3.26Å; Y150-Y221 AromaticContact CD1-CD2 3.8Å; Y150-Y221 HydrophobicContact CD1-CD2 3.8Å; Y150-Y221 AromaticContact CE1-CD2 3.56Å; Y150-Y221 HydrophobicContact CE1-CD2 3.56Å; Y150-Y221 HydrophobicContact CE1-CG 4.24Å; Y150-V224 HydrophobicContact CD2-CG2 4.12Å
151E98.3Very high95.2Very high48 Ų4838.1 Ų38.122%0.22421%0.214CC..Hα-helixtrans-59.3-44.2178.6-73.3-169.1156.500111.9E147 E149 M153 V154 L155 L188 K269E147-E151 HydrophobicContact CG-CG 4.46Å; E147-E151 WeakPolarHBondContact O-CG 3.11Å; E147-E151 PolarHBondContact O-N 3.43Å; E149-E151 VanDerWaalsContact C-N 3.34Å; E149-E151 PolarHBondContact O-N 2.87Å; E151-M153 VanDerWaalsContact C-N 3.3Å; E151-M153 PolarHBondContact O-N 3.42Å; E151-V154 PolarHBondContact O-N 2.84Å; E151-L155 VanDerWaalsContact O-CG 3.26Å; E151-L155 WeakPolarHBondContact O-CG 3.39Å; E151-L155 PolarHBondContact O-N 3.09Å; E151-L188 HydrophobicContact CB-CD2 3.86Å; E151-L188 HydrophobicContact CG-CD2 3.82Å; E151-K269 WeakPolarHBondContact OE1-CE 3.33Å; E151-K269 IonicContact OE1-NZ 2.8Å; E151-K269 PolarHBondContact OE1-NZ 2.99Å
152A98.1Very high95Very high53 Ų5337 Ų3744%0.43820%0.203SC..Hα-helixtrans-61.3-38.8177.400000112.3S148 E149 Y150 C156S148-A152 WeakPolarHBondContact O-CB 3.49Å; S148-A152 PolarHBondContact O-N 2.81Å; E149-A152 PolarHBondContact O-N 3.37Å; Y150-A152 VanDerWaalsContact C-N 3.34Å; Y150-A152 PolarHBondContact O-N 3.05Å; A152-C156 PolarHBondContact O-N 3.38Å; A152-C156 PolarHBondContact O-SG 2.98Å
153M97.9Very high95.1Very high9 Ų933.7 Ų33.74%0.04419%0.192CC..Hα-helixtrans-62.5-46.7173.7176-78.6-75.800111.3G131 M134 D135 W138 E149 Y150 E151 L155 C156 K157G131-M153 WeakPolarHBondContact O-CG 3.44Å; M134-M153 HydrophobicContact CB-CB 4.42Å; M134-M153 HydrophobicContact CB-CG 4.03Å; D135-M153 HydrophobicContact CB-CE 4.05Å; D135-M153 HydrophobicContact CB-CG 4.27Å; D135-M153 HydrophobicContact CB-SD 3.94Å; W138-M153 HydrophobicContact CH2-CB 3.49Å; W138-M153 VanDerWaalsContact CH2-CB 3.49Å; W138-M153 HydrophobicContact CH2-CG 4.11Å; W138-M153 HydrophobicContact CZ3-CB 3.51Å; W138-M153 HydrophobicContact CZ3-CE 3.95Å; W138-M153 HydrophobicContact CZ3-CG 3.69Å; E149-M153 PolarHBondContact O-N 3.49Å; Y150-M153 HydrophobicContact CD2-CE 4.14Å; Y150-M153 HydrophobicContact CE2-CE 4.18Å; Y150-M153 WeakPolarHBondContact O-CB 3.47Å; Y150-M153 PolarHBondContact O-N 3.42Å; Y150-M153 VanDerWaalsContact O-N 3.14Å; E151-M153 VanDerWaalsContact C-N 3.3Å; E151-M153 PolarHBondContact O-N 3.42Å; M153-L155 VanDerWaalsContact C-N 3.34Å; M153-L155 PolarHBondContact O-N 3.48Å; M153-C156 WeakPolarHBondContact O-CA 3.49Å; M153-C156 WeakPolarHBondContact O-CB 3.37Å; M153-C156 PolarHBondContact O-N 2.75Å; M153-K157 PolarHBondContact O-N 2.79Å; M153-K157 HydrophobicContact SD-CB 4.07Å; M153-K157 HydrophobicContact SD-CD 4.09Å
154V97.4Very high95.1Very high0 Ų028.2 Ų28.20%017%0.168CC..Hα-helixtrans-61.8-42.4179173.60000112Y150 E151 C156 K157 T158 G159 L188 Q191Y150-V154 HydrophobicContact CD1-CG2 4.17Å; Y150-V154 HydrophobicContact CE1-CG2 3.59Å; Y150-V154 HydrophobicContact CE2-CG2 4.07Å; Y150-V154 WeakPolarHBondContact O-CG2 3.29Å; Y150-V154 PolarHBondContact O-N 2.91Å; E151-V154 PolarHBondContact O-N 2.84Å; V154-C156 PolarHBondContact O-N 3.34Å; V154-K157 PolarHBondContact O-N 3.48Å; V154-T158 PolarHBondContact O-N 3.32Å; V154-G159 PolarHBondContact O-N 3.14Å; V154-L188 HydrophobicContact CB-CD2 3.94Å; V154-L188 HydrophobicContact CG1-CD2 3.89Å; V154-Q191 HydrophobicContact CB-CB 4.39Å; V154-Q191 HydrophobicContact CB-CG 4.41Å; V154-Q191 HydrophobicContact CG1-CB 3.41Å; V154-Q191 VanDerWaalsContact CG1-CB 3.41Å; V154-Q191 HydrophobicContact CG1-CG 3.9Å; V154-Q191 HydrophobicContact CG2-CB 4.05Å; V154-Q191 HydrophobicContact CG2-CG 3.64Å
155L96.2Very high95.1Very high48 Ų4827.2 Ų27.225%0.25116%0.162SC..Hα-helixtrans-60.5-27.7176.1-68.2-179.7000112.1E151 M153 G159 D184 L188E151-L155 VanDerWaalsContact O-CG 3.26Å; E151-L155 WeakPolarHBondContact O-CG 3.39Å; E151-L155 PolarHBondContact O-N 3.09Å; M153-L155 VanDerWaalsContact C-N 3.34Å; M153-L155 PolarHBondContact O-N 3.48Å; L155-G159 VanDerWaalsContact O-CA 3.26Å; L155-G159 WeakPolarHBondContact O-CA 3.26Å; L155-G159 PolarHBondContact O-N 3.14Å; L155-D184 VanDerWaalsContact CD2-CA 3.49Å; L155-D184 HydrophobicContact CD2-CB 3.47Å; L155-D184 VanDerWaalsContact CD2-CB 3.47Å; L155-L188 HydrophobicContact CD2-CD1 4.08Å; L155-L188 HydrophobicContact CD2-CD2 4.4Å; L155-L188 HydrophobicContact CD2-CG 3.84Å; L155-L188 HydrophobicContact CG-CD2 4.44Å; L155-L188 HydrophobicContact CG-CG 4.38Å
156C96.5Very high95Very high40 Ų4027.4 Ų27.427%0.2716%0.163SC..Hα-helixtrans-80.2-56.3172.3-64.80000111.7V127 L128 A152 M153 V154 G160V127-C156 HydrophobicContact CG1-CB 3.99Å; V127-C156 WeakPolarHBondContact O-CB 3.2Å; L128-C156 WeakPolarHBondContact CA-O 3.44Å; A152-C156 PolarHBondContact O-N 3.38Å; A152-C156 PolarHBondContact O-SG 2.98Å; M153-C156 WeakPolarHBondContact O-CA 3.49Å; M153-C156 WeakPolarHBondContact O-CB 3.37Å; M153-C156 PolarHBondContact O-N 2.75Å; V154-C156 PolarHBondContact O-N 3.34Å; C156-G160 PolarHBondContact O-N 2.91Å; C156-G160 VanDerWaalsContact O-N 3.09Å
157K93.5Very high94.9Very high24 Ų2429.2 Ų29.210%0.10416%0.164CC..Hα-helixtrans-61.9-55.7-173.3178.3171.5170.9154.20112.1D70 Q132 D135 M153 V154D70-K157 IonicContact OD2-NZ 2.7Å; Q132-K157 VanDerWaalsContact OE1-CD 3.25Å; D135-K157 IonicContact OD2-NZ 3.52Å; D135-K157 PolarHBondContact OD2-NZ 2.87Å; M153-K157 PolarHBondContact O-N 2.79Å; M153-K157 HydrophobicContact SD-CB 4.07Å; M153-K157 HydrophobicContact SD-CD 4.09Å; V154-K157 PolarHBondContact O-N 3.48Å
158T87.1Confident94.9Very high22 Ų2226.9 Ų26.914%0.13515%0.153CC..Hα-helixtrans-89.9-36.2-175.8-61.40000111.5V154 G160 F162 Q191V154-T158 PolarHBondContact O-N 3.32Å; T158-G160 VanDerWaalsContact C-N 3.32Å; T158-G160 PolarHBondContact O-N 2.96Å; T158-F162 HydrophobicContact CG2-CD2 4.08Å; T158-F162 HydrophobicContact CG2-CE2 3.66Å; T158-F162 HydrophobicContact CG2-CZ 4.4Å; T158-Q191 PolarHBondContact OG1-OE1 3.48Å; T158-Q191 VanDerWaalsContact OG1-OE1 3.11Å
159G84.2Confident94.9Very high5 Ų523 Ų235%0.05213%0.126CC..Hα-helixtrans-65.4-31.8178.900000113.6V154 L155 L161 F162 S163V154-G159 PolarHBondContact O-N 3.14Å; L155-G159 VanDerWaalsContact O-CA 3.26Å; L155-G159 WeakPolarHBondContact O-CA 3.26Å; L155-G159 PolarHBondContact O-N 3.14Å; G159-L161 PolarHBondContact O-N 3.47Å; G159-F162 PolarHBondContact O-N 3.26Å; G159-S163 WeakPolarHBondContact O-CB 3.45Å; G159-S163 PolarHBondContact O-N 2.99Å
160G88.7Confident94.8Very high1 Ų120.3 Ų20.31%0.0111%0.113CC..Hα-helixtrans-57.5-49.7-179.600000113.4Q124 C156 T158 S163 L164Q124-G160 PolarHBondContact OE1-O 3.1Å; C156-G160 PolarHBondContact O-N 2.91Å; C156-G160 VanDerWaalsContact O-N 3.09Å; T158-G160 VanDerWaalsContact C-N 3.32Å; T158-G160 PolarHBondContact O-N 2.96Å; G160-S163 PolarHBondContact O-N 3.41Å; G160-L164 WeakPolarHBondContact O-CB 3.4Å; G160-L164 PolarHBondContact O-N 3.22Å
161L91.8Very high94.7Very high12 Ų1222.7 Ų22.76%0.06313%0.126CC..Hα-helixtrans-72.5-36.6-178.4-172.162000112.8I59 L62 H63 L128 G159 L164 G165I59-L161 HydrophobicContact CD1-CD1 3.85Å; I59-L161 HydrophobicContact CG2-CD1 4.29Å; I59-L161 HydrophobicContact CG2-CG 4.26Å; L62-L161 HydrophobicContact CB-CD1 3.88Å; L62-L161 HydrophobicContact CD1-CD1 4.09Å; H63-L161 HydrophobicContact CB-CD2 3.86Å; L128-L161 HydrophobicContact CD1-CB 4.17Å; G159-L161 PolarHBondContact O-N 3.47Å; L161-L164 HydrophobicContact CD1-CD2 4.18Å; L161-L164 WeakPolarHBondContact O-CB 3.05Å; L161-L164 PolarHBondContact O-N 2.87Å; L161-G165 PolarHBondContact O-N 2.9Å; L161-G165 VanDerWaalsContact O-N 3.15Å
162F91.3Very high94.7Very high24 Ų2422.4 Ų22.411%0.10512%0.124CC..Hα-helixtrans-67.2-42.3174.5-68.1-33.4000112R34 L37 T158 G159 L164 G165 V166 L183 I186 Y190R34-F162 HydrophobicContact CG-CE1 4.49Å; L37-F162 HydrophobicContact CD1-CD1 4.09Å; L37-F162 HydrophobicContact CD1-CE1 3.36Å; L37-F162 HydrophobicContact CD1-CZ 3.63Å; T158-F162 HydrophobicContact CG2-CD2 4.08Å; T158-F162 HydrophobicContact CG2-CE2 3.66Å; T158-F162 HydrophobicContact CG2-CZ 4.4Å; G159-F162 PolarHBondContact O-N 3.26Å; F162-L164 VanDerWaalsContact C-N 3.31Å; F162-L164 PolarHBondContact O-N 2.63Å; F162-G165 PolarHBondContact O-N 3.43Å; F162-V166 PolarHBondContact O-N 2.99Å; F162-V166 VanDerWaalsContact O-N 3.11Å; F162-L183 HydrophobicContact CB-CD2 4Å; F162-I186 HydrophobicContact CD2-CG2 4.33Å; F162-I186 HydrophobicContact CE2-CG2 4.01Å; F162-Y190 AromaticContact CE2-CD2 3.94Å; F162-Y190 HydrophobicContact CE2-CD2 3.94Å; F162-Y190 AromaticContact CZ-CD2 3.98Å; F162-Y190 HydrophobicContact CZ-CD2 3.98Å; F162-Y190 HydrophobicContact CZ-CE2 4.22Å
163S93.8Very high94.7Very high25 Ų2520.5 Ų20.518%0.17511%0.107CC..Hα-helixtrans-64-37.6174.8-172.40000111.4Q124 G159 G160 G165 V166 R167Q124-S163 VanDerWaalsContact OE1-CB 3.29Å; Q124-S163 PolarHBondContact OE1-OG 3.36Å; G159-S163 WeakPolarHBondContact O-CB 3.45Å; G159-S163 PolarHBondContact O-N 2.99Å; G160-S163 PolarHBondContact O-N 3.41Å; S163-G165 PolarHBondContact O-N 3.41Å; S163-V166 PolarHBondContact O-N 3.19Å; S163-R167 WeakPolarHBondContact O-CB 3.45Å; S163-R167 VanDerWaalsContact O-CG 3.23Å; S163-R167 WeakPolarHBondContact O-CG 3.43Å; S163-R167 PolarHBondContact O-N 2.88Å; S163-R167 WeakPolarHBondContact OG-CD 3.46Å
164L95.8Very high94.6Very high1 Ų129.6 Ų29.61%0.00515%0.15CC..Hα-helixtrans-56.6-51.5172.8-179.356.8000111.4I59 L62 I120 F121 Q124 G160 L161 F162 V166 R167 L168I59-L164 HydrophobicContact CD1-CB 4.09Å; I59-L164 HydrophobicContact CD1-CD2 3.98Å; I59-L164 HydrophobicContact CD1-CG 3.79Å; L62-L164 HydrophobicContact CD1-CD2 3.27Å; I120-L164 HydrophobicContact CG2-CD1 3.8Å; F121-L164 HydrophobicContact CB-CD1 4.42Å; F121-L164 HydrophobicContact CD2-CD2 4.32Å; Q124-L164 HydrophobicContact CB-CB 3.79Å; Q124-L164 HydrophobicContact CB-CD1 4.18Å; Q124-L164 HydrophobicContact CB-CG 4.4Å; Q124-L164 HydrophobicContact CG-CB 3.87Å; Q124-L164 HydrophobicContact CG-CD1 4.2Å; G160-L164 WeakPolarHBondContact O-CB 3.4Å; G160-L164 PolarHBondContact O-N 3.22Å; L161-L164 HydrophobicContact CD1-CD2 4.18Å; L161-L164 WeakPolarHBondContact O-CB 3.05Å; L161-L164 PolarHBondContact O-N 2.87Å; F162-L164 VanDerWaalsContact C-N 3.31Å; F162-L164 PolarHBondContact O-N 2.63Å; L164-V166 PolarHBondContact O-N 3.4Å; L164-R167 PolarHBondContact O-N 2.94Å; L164-L168 HydrophobicContact CD1-CD1 3.62Å; L164-L168 HydrophobicContact CD1-CD2 4.39Å; L164-L168 HydrophobicContact CD1-CG 3.81Å; L164-L168 HydrophobicContact CG-CD1 3.82Å; L164-L168 HydrophobicContact CG-CG 4.4Å; L164-L168 VanDerWaalsContact O-CB 3.32Å; L164-L168 WeakPolarHBondContact O-CB 3.46Å; L164-L168 WeakPolarHBondContact O-CG 3.38Å; L164-L168 PolarHBondContact O-N 2.77Å
165G95.6Very high94.7Very high5 Ų531.5 Ų31.55%0.05216%0.16CC..Hα-helixtrans-57.3-52.3179.600000112.3L161 F162 S163 L168 M169L161-G165 PolarHBondContact O-N 2.9Å; L161-G165 VanDerWaalsContact O-N 3.15Å; F162-G165 PolarHBondContact O-N 3.43Å; S163-G165 PolarHBondContact O-N 3.41Å; G165-L168 PolarHBondContact O-N 3.12Å; G165-M169 WeakPolarHBondContact O-CG 3.36Å; G165-M169 PolarHBondContact O-N 3.37Å
166V97Very high94.7Very high5 Ų535 Ų353%0.0318%0.175CC..Hα-helixtrans-65.5-44.2-178.7173.30000112.1F41 L45 F162 S163 L164 L168 M169 Q170 Y179 L183F41-V166 HydrophobicContact CB-CG2 4.22Å; F41-V166 HydrophobicContact CD1-CG1 4.4Å; F41-V166 HydrophobicContact CD1-CG2 3.62Å; F41-V166 HydrophobicContact CD2-CG2 3.8Å; F41-V166 HydrophobicContact CE1-CG2 3.87Å; F41-V166 HydrophobicContact CE2-CG2 4.04Å; F41-V166 HydrophobicContact CG-CG2 3.6Å; F41-V166 HydrophobicContact CZ-CG2 4.08Å; L45-V166 HydrophobicContact CD1-CG1 4.31Å; F162-V166 PolarHBondContact O-N 2.99Å; F162-V166 VanDerWaalsContact O-N 3.11Å; S163-V166 PolarHBondContact O-N 3.19Å; L164-V166 PolarHBondContact O-N 3.4Å; V166-L168 PolarHBondContact O-N 3.41Å; V166-M169 WeakPolarHBondContact O-CB 3.4Å; V166-M169 PolarHBondContact O-N 3.44Å; V166-Q170 HydrophobicContact CG1-CG 4.32Å; V166-Q170 VanDerWaalsContact O-CG 3.3Å; V166-Q170 WeakPolarHBondContact O-CG 3.49Å; V166-Q170 PolarHBondContact O-N 3.06Å; V166-Y179 HydrophobicContact CG1-CD2 4.15Å; V166-L183 HydrophobicContact CB-CD1 4.03Å; V166-L183 HydrophobicContact CG1-CD1 4.22Å; V166-L183 HydrophobicContact CG2-CD1 4.1Å; V166-L183 HydrophobicContact CG2-CD2 3.83Å; V166-L183 HydrophobicContact CG2-CG 4.49Å
167R96.9Very high94.8Very high77 Ų7735.5 Ų35.529%0.29118%0.177SC..Hα-helixtrans-67.6-36-179.4-70.7-177.267.8-164.9-3.1112.3I120 E123 S163 L164 Q170 L171I120-R167 HydrophobicContact CD1-CB 4.16Å; I120-R167 HydrophobicContact CG2-CB 3.64Å; E123-R167 IonicContact OE2-CZ 3.44Å; E123-R167 VanDerWaalsContact OE2-CZ 3.26Å; E123-R167 IonicContact OE2-NH1 2.62Å; E123-R167 PolarHBondContact OE2-NH1 2.94Å; E123-R167 IonicContact OE2-NH2 2.94Å; E123-R167 PolarHBondContact OE2-NH2 2.99Å; S163-R167 WeakPolarHBondContact O-CB 3.45Å; S163-R167 VanDerWaalsContact O-CG 3.23Å; S163-R167 WeakPolarHBondContact O-CG 3.43Å; S163-R167 PolarHBondContact O-N 2.88Å; S163-R167 WeakPolarHBondContact OG-CD 3.46Å; L164-R167 PolarHBondContact O-N 2.94Å; R167-Q170 PolarHBondContact O-N 2.65Å; R167-L171 PolarHBondContact O-N 3.43Å
168L97.4Very high94.9Very high0 Ų039.5 Ų39.50%020%0.2CC..Hα-helixtrans-63.5-44171.5-72.5172000111.1I55 L109 T117 I120 L164 G165 V166 Q170 L171 F172I55-L168 HydrophobicContact CD1-CB 3.97Å; I55-L168 HydrophobicContact CG1-CB 4.13Å; I55-L168 HydrophobicContact CG2-CB 4.03Å; I55-L168 HydrophobicContact CG2-CD1 4.25Å; L109-L168 HydrophobicContact CD1-CD1 3.99Å; L109-L168 HydrophobicContact CD1-CD2 4.25Å; L109-L168 HydrophobicContact CD2-CD1 3.84Å; L109-L168 HydrophobicContact CD2-CD2 4.2Å; T117-L168 HydrophobicContact CG2-CD2 3.99Å; I120-L168 HydrophobicContact CB-CD2 4.49Å; I120-L168 HydrophobicContact CG2-CD2 4.43Å; I120-L168 HydrophobicContact CG2-CG 4.43Å; L164-L168 HydrophobicContact CD1-CD1 3.62Å; L164-L168 HydrophobicContact CD1-CD2 4.39Å; L164-L168 HydrophobicContact CD1-CG 3.81Å; L164-L168 HydrophobicContact CG-CD1 3.82Å; L164-L168 HydrophobicContact CG-CG 4.4Å; L164-L168 VanDerWaalsContact O-CB 3.32Å; L164-L168 WeakPolarHBondContact O-CB 3.46Å; L164-L168 WeakPolarHBondContact O-CG 3.38Å; L164-L168 PolarHBondContact O-N 2.77Å; G165-L168 PolarHBondContact O-N 3.12Å; V166-L168 PolarHBondContact O-N 3.41Å; L168-Q170 VanDerWaalsContact C-N 3.31Å; L168-Q170 PolarHBondContact O-N 3.08Å; L168-L171 WeakPolarHBondContact O-CB 3.14Å; L168-L171 PolarHBondContact O-N 3.14Å; L168-F172 WeakPolarHBondContact O-CD2 3.13Å
169M97.7Very high95.4Very high1 Ų138.6 Ų38.61%0.00519%0.194CC..Hα-helixtrans-62.1-39.9176.2-70.7168.274.200111.6V38 F41 N42 L45 V47 L52 I55 G165 V166 L171 F172 S173V38-M169 HydrophobicContact CG1-SD 4.2Å; V38-M169 WeakPolarHBondContact O-CE 3.31Å; F41-M169 HydrophobicContact CB-CE 4.12Å; F41-M169 HydrophobicContact CB-SD 4.4Å; N42-M169 HydrophobicContact CB-CE 3.61Å; L45-M169 HydrophobicContact CB-CE 4.4Å; L45-M169 HydrophobicContact CD1-CB 3.53Å; L45-M169 HydrophobicContact CD1-CE 3.9Å; L45-M169 HydrophobicContact CD1-SD 4.28Å; V47-M169 HydrophobicContact CG2-CB 3.8Å; V47-M169 HydrophobicContact CG2-CE 4.49Å; V47-M169 HydrophobicContact CG2-CG 4.32Å; V47-M169 WeakPolarHBondContact CG2-O 3.29Å; L52-M169 HydrophobicContact CD1-CE 3.59Å; L52-M169 HydrophobicContact CD1-CG 4.35Å; L52-M169 HydrophobicContact CD1-SD 4.25Å; I55-M169 HydrophobicContact CD1-CG 4.01Å; I55-M169 HydrophobicContact CG2-CG 4.15Å; G165-M169 WeakPolarHBondContact O-CG 3.36Å; G165-M169 PolarHBondContact O-N 3.37Å; V166-M169 WeakPolarHBondContact O-CB 3.4Å; V166-M169 PolarHBondContact O-N 3.44Å; M169-L171 VanDerWaalsContact C-N 3.26Å; M169-L171 PolarHBondContact O-N 3.16Å; M169-F172 CarbonylContact O-C 3.39Å; M169-F172 PolarHBondContact O-N 3.45Å; M169-S173 PolarHBondContact O-N 3.5Å
170Q97.6Very high95.9Very high24 Ų2443.3 Ų43.311%0.11221%0.213CC..Hα-helixtrans-61.4-30.7178.4-76.5-178-56.900113.3L45 V166 R167 L168 F172 S173 Q176 T177L45-Q170 HydrophobicContact CD1-CG 4.19Å; L45-Q170 HydrophobicContact CD2-CG 3.79Å; V166-Q170 HydrophobicContact CG1-CG 4.32Å; V166-Q170 VanDerWaalsContact O-CG 3.3Å; V166-Q170 WeakPolarHBondContact O-CG 3.49Å; V166-Q170 PolarHBondContact O-N 3.06Å; R167-Q170 PolarHBondContact O-N 2.65Å; L168-Q170 VanDerWaalsContact C-N 3.31Å; L168-Q170 PolarHBondContact O-N 3.08Å; Q170-F172 PolarHBondContact O-N 3.5Å; Q170-S173 PolarHBondContact O-N 3.32Å; Q170-Q176 PolarHBondContact O-NE2 3.33Å; Q170-T177 PolarHBondContact NE2-O 2.82Å
171L96.7Very high96.3Very high53 Ų5345.1 Ų45.128%0.27722%0.224SC..THydrogen-bonded Turntrans-58.8-21.1174.1-70.3-179.7000113.9E116 T117 I120 R167 L168 M169E116-L171 HydrophobicContact CB-CD1 3.81Å; E116-L171 HydrophobicContact CB-CD2 3.75Å; E116-L171 HydrophobicContact CB-CG 4.46Å; E116-L171 HydrophobicContact CG-CD2 4.34Å; T117-L171 HydrophobicContact CG2-CD1 3.71Å; I120-L171 HydrophobicContact CD1-CD1 3.56Å; I120-L171 HydrophobicContact CD1-CD2 3.93Å; I120-L171 HydrophobicContact CD1-CG 3.67Å; R167-L171 PolarHBondContact O-N 3.43Å; L168-L171 WeakPolarHBondContact O-CB 3.14Å; L168-L171 PolarHBondContact O-N 3.14Å; M169-L171 VanDerWaalsContact C-N 3.26Å; M169-L171 PolarHBondContact O-N 3.16Å
172F96.9Very high96.6Very high42 Ų4244.5 Ų44.518%0.18422%0.221CC..THydrogen-bonded Turntrans-120.919.4-176-56.9-89.1000112.6V47 I51 I55 L112 R114 T117 L168 M169 Q170V47-F172 HydrophobicContact CG1-CB 3.96Å; I51-F172 HydrophobicContact CD1-CE1 4.36Å; I51-F172 HydrophobicContact CG1-CD1 4.38Å; I51-F172 HydrophobicContact CG2-CB 4.17Å; I51-F172 HydrophobicContact CG2-CD1 4Å; I51-F172 HydrophobicContact CG2-CD2 3.6Å; I51-F172 HydrophobicContact CG2-CE1 4.25Å; I51-F172 HydrophobicContact CG2-CE2 3.91Å; I51-F172 HydrophobicContact CG2-CG 3.66Å; I51-F172 HydrophobicContact CG2-CZ 4.22Å; I55-F172 HydrophobicContact CD1-CD2 4.35Å; L112-F172 HydrophobicContact CB-CZ 3.95Å; L112-F172 HydrophobicContact CD1-CE2 4.04Å; L112-F172 HydrophobicContact CD1-CZ 4.03Å; R114-F172 HydrophobicContact CB-CZ 4.16Å; R114-F172 HydrophobicContact CG-CE1 3.7Å; R114-F172 HydrophobicContact CG-CZ 3.55Å; T117-F172 HydrophobicContact CG2-CE2 4.42Å; L168-F172 WeakPolarHBondContact O-CD2 3.13Å; M169-F172 CarbonylContact O-C 3.39Å; M169-F172 PolarHBondContact O-N 3.45Å; Q170-F172 PolarHBondContact O-N 3.5Å
173S97.7Very high96.8Very high13 Ų1343.8 Ų43.89%0.09122%0.218CC..  trans-124146-177.8158.50000109.6L45 M169 Q170 N175 Q176L45-S173 WeakPolarHBondContact O-CB 3.38Å; L45-S173 PolarHBondContact O-OG 3.05Å; M169-S173 PolarHBondContact O-N 3.5Å; Q170-S173 PolarHBondContact O-N 3.32Å; S173-N175 VanDerWaalsContact C-N 3.26Å; S173-N175 WeakPolarHBondContact OG-CA 3.35Å; S173-N175 WeakPolarHBondContact OG-CB 3.3Å; S173-N175 PolarHBondContact OG-N 3.11Å; S173-N175 PolarHBondContact OG-O 3.36Å; S173-Q176 PolarHBondContact O-NE2 2.89Å
174E97.7Very high97Very high200 Ų20044.1 Ų44.194%0.93522%0.218SC*.SBendtrans-74.2-23.9168.8-65.7-177.7170.600111.6Q176E174-Q176 PolarHBondContact O-N 3.37Å
175N97.9Very high97.1Very high40 Ų4044.1 Ų44.121%0.21422%0.218CC..  trans-80.4108.1177.1178.9-2.9000110.7W44 L45 S173 T177 Y179W44-N175 PolarHBondContact O-ND2 3.48Å; L45-N175 HydrophobicContact CD2-CB 4.07Å; L45-N175 WeakPolarHBondContact CD2-O 3.36Å; S173-N175 VanDerWaalsContact C-N 3.26Å; S173-N175 WeakPolarHBondContact OG-CA 3.35Å; S173-N175 WeakPolarHBondContact OG-CB 3.3Å; S173-N175 PolarHBondContact OG-N 3.11Å; S173-N175 PolarHBondContact OG-O 3.36Å; N175-T177 WeakPolarHBondContact OD1-CB 3.43Å; N175-T177 PolarHBondContact OD1-N 3.11Å; N175-T177 PolarHBondContact OD1-OG1 3.42Å; N175-Y179 PolarHBondContact ND2-OH 3.25Å
176Q97Very high97.1Very high122 Ų12243.9 Ų43.957%0.5722%0.216SC*.  trans-104.722.3178.3-59.7-58.7-43.900113.3Q170 S173 E174 D178Q170-Q176 PolarHBondContact O-NE2 3.33Å; S173-Q176 PolarHBondContact O-NE2 2.89Å; E174-Q176 PolarHBondContact O-N 3.37Å; Q176-D178 PolarHBondContact O-N 3.05Å
177T97.7Very high97Very high50 Ų5043.7 Ų43.731%0.30721%0.214SC..  trans-56.4135.1-178.8-630000111.8Q170 N175 Y179 Y284Q170-T177 PolarHBondContact NE2-O 2.82Å; N175-T177 WeakPolarHBondContact OD1-CB 3.43Å; N175-T177 PolarHBondContact OD1-N 3.11Å; N175-T177 PolarHBondContact OD1-OG1 3.42Å; T177-Y179 HydrophobicContact CG2-CD1 4.27Å; T177-Y179 HydrophobicContact CG2-CD2 4.46Å; T177-Y179 HydrophobicContact CG2-CE1 3.95Å; T177-Y179 HydrophobicContact CG2-CE2 4.14Å; T177-Y179 WeakPolarHBondContact O-CD2 3.43Å; T177-Y179 PolarHBondContact O-N 3.35Å; T177-Y284 HydrophobicContact CG2-CD1 3.5Å; T177-Y284 HydrophobicContact CG2-CE1 3.57Å
178D96.6Very high97.1Very high108 Ų10840.7 Ų40.758%0.57820%0.204SC*.  trans-73.497.8172.2-178.817000110.8Q176 K180 Y284Q176-D178 PolarHBondContact O-N 3.05Å; D178-K180 VanDerWaalsContact C-N 3.29Å; D178-K180 WeakPolarHBondContact OD1-CB 3.18Å; D178-K180 PolarHBondContact OD1-N 2.92Å; D178-Y284 PolarHBondContact O-OH 2.88Å
179Y97.3Very high97Very high3 Ų340.7 Ų40.71%0.01220%0.204CC..  trans-84.42175.7-69.1-69.1000113.3F41 W44 L45 V166 N175 T177 P181 L182 L183 Y284F41-Y179 HydrophobicContact CD1-CG 4.49Å; F41-Y179 HydrophobicContact CE1-CD1 4.19Å; F41-Y179 HydrophobicContact CE1-CG 4.03Å; W44-Y179 WeakPolarHBondContact CB-OH 3.32Å; W44-Y179 HydrophobicContact CD2-CE1 4.01Å; W44-Y179 HydrophobicContact CE3-CD1 4.18Å; W44-Y179 AromaticContact CE3-CE1 3.43Å; W44-Y179 HydrophobicContact CE3-CE1 3.43Å; W44-Y179 VanDerWaalsContact CE3-CE1 3.43Å; W44-Y179 AromaticContact CE3-CZ 3.73Å; W44-Y179 HydrophobicContact CH2-CE1 4.33Å; W44-Y179 HydrophobicContact CZ3-CD1 4.04Å; W44-Y179 AromaticContact CZ3-CE1 3.64Å; W44-Y179 HydrophobicContact CZ3-CE1 3.64Å; L45-Y179 HydrophobicContact CD2-CE2 3.9Å; V166-Y179 HydrophobicContact CG1-CD2 4.15Å; N175-Y179 PolarHBondContact ND2-OH 3.25Å; T177-Y179 HydrophobicContact CG2-CD1 4.27Å; T177-Y179 HydrophobicContact CG2-CD2 4.46Å; T177-Y179 HydrophobicContact CG2-CE1 3.95Å; T177-Y179 HydrophobicContact CG2-CE2 4.14Å; T177-Y179 WeakPolarHBondContact O-CD2 3.43Å; T177-Y179 PolarHBondContact O-N 3.35Å; Y179-P181 VanDerWaalsContact C-CD 3.49Å; Y179-P181 VanDerWaalsContact C-N 3.35Å; Y179-L182 HydrophobicContact CD1-CD2 4.38Å; Y179-L182 WeakPolarHBondContact O-CB 3.49Å; Y179-L182 PolarHBondContact O-N 3.2Å; Y179-L183 WeakPolarHBondContact O-CG 3.22Å; Y179-L183 PolarHBondContact O-N 3.23Å; Y179-Y284 HydrophobicContact CD1-CD1 4.33Å; Y179-Y284 HydrophobicContact CD1-CD2 4.01Å; Y179-Y284 HydrophobicContact CD1-CE2 4.31Å; Y179-Y284 HydrophobicContact CD1-CG 4.03Å; Y179-Y284 HydrophobicContact CE1-CD1 4.14Å; Y179-Y284 HydrophobicContact CE1-CD2 4.22Å; Y179-Y284 AromaticContact CE1-CG 3.82Å; Y179-Y284 HydrophobicContact CE1-CG 3.82Å
180K95.5Very high96.9Very high104 Ų10442 Ų4245%0.45221%0.209SC..Hα-helixtrans-52-45.2-177.1-172-171.4-172.7-40.30113.1D178 L182 L183 D184D178-K180 VanDerWaalsContact C-N 3.29Å; D178-K180 WeakPolarHBondContact OD1-CB 3.18Å; D178-K180 PolarHBondContact OD1-N 2.92Å; K180-L182 PolarHBondContact O-N 3.25Å; K180-L183 PolarHBondContact O-N 2.94Å; K180-D184 IonicContact NZ-OD1 3.65Å; K180-D184 PolarHBondContact NZ-OD1 2.76Å; K180-D184 IonicContact NZ-OD2 3.78Å; K180-D184 PolarHBondContact NZ-OD2 2.71Å; K180-D184 WeakPolarHBondContact O-CB 3.25Å; K180-D184 PolarHBondContact O-N 3.24Å
181P97.3Very high96.8Very high38 Ų3841.8 Ų41.825%0.24721%0.208CC..Hα-helixtrans-58.1-34.7177.8-26.436.1000114.3Y179 A185 L280 Y284Y179-P181 VanDerWaalsContact C-CD 3.49Å; Y179-P181 VanDerWaalsContact C-N 3.35Å; P181-A185 WeakPolarHBondContact O-CB 3.49Å; P181-A185 PolarHBondContact O-N 2.98Å; P181-L280 HydrophobicContact CB-CD1 4.33Å; P181-L280 HydrophobicContact CB-CD2 4.25Å; P181-L280 VanDerWaalsContact O-CD1 3.31Å; P181-L280 WeakPolarHBondContact O-CD1 3.47Å; P181-Y284 WeakPolarHBondContact CD-OH 3.46Å; P181-Y284 WeakPolarHBondContact CG-OH 3.3Å
182L97.4Very high96.9Very high0 Ų039.3 Ų39.30%020%0.195CC..Hα-helixtrans-77-43.1177.4175.259.8000111.2F41 W44 Y179 K180 D184 A185 I186 L280 I281 Y284 L290F41-L182 HydrophobicContact CE1-CD2 4.35Å; F41-L182 HydrophobicContact CZ-CD2 4.33Å; W44-L182 HydrophobicContact CH2-CD2 3.67Å; W44-L182 HydrophobicContact CZ3-CD2 3.66Å; Y179-L182 HydrophobicContact CD1-CD2 4.38Å; Y179-L182 WeakPolarHBondContact O-CB 3.49Å; Y179-L182 PolarHBondContact O-N 3.2Å; K180-L182 PolarHBondContact O-N 3.25Å; L182-D184 VanDerWaalsContact C-N 3.32Å; L182-D184 PolarHBondContact O-N 3.46Å; L182-A185 PolarHBondContact O-N 3Å; L182-I186 HydrophobicContact CD1-CD1 3.8Å; L182-I186 HydrophobicContact CD1-CG1 4.06Å; L182-I186 HydrophobicContact CG-CD1 3.83Å; L182-I186 HydrophobicContact CG-CG1 4.46Å; L182-I186 WeakPolarHBondContact O-CB 3.05Å; L182-I186 VanDerWaalsContact O-CG1 3.25Å; L182-I186 WeakPolarHBondContact O-CG1 3.48Å; L182-I186 PolarHBondContact O-N 3.2Å; L182-L280 HydrophobicContact CB-CB 4.2Å; L182-L280 HydrophobicContact CB-CD1 4.34Å; L182-L280 HydrophobicContact CD1-CB 3.86Å; L182-I281 HydrophobicContact CD1-CG1 4.08Å; L182-I281 HydrophobicContact CD2-CG1 4.41Å; L182-Y284 HydrophobicContact CB-CD2 4.26Å; L182-Y284 HydrophobicContact CB-CE2 3.86Å; L182-Y284 HydrophobicContact CD2-CD2 4.07Å; L182-Y284 HydrophobicContact CD2-CE2 4.49Å; L182-L290 HydrophobicContact CD2-CD2 3.77Å; L182-L290 HydrophobicContact CG-CD2 4.48Å
183L96Very high96.9Very high8 Ų838 Ų384%0.04219%0.189CC..Hα-helixtrans-61.2-41.4176-69.6170.6000112.1F41 F162 V166 Y179 K180 I186 G187F41-L183 HydrophobicContact CE1-CD2 4.19Å; F41-L183 HydrophobicContact CE2-CD2 3.79Å; F41-L183 HydrophobicContact CZ-CD2 3.43Å; F41-L183 VanDerWaalsContact CZ-CD2 3.43Å; F41-L183 HydrophobicContact CZ-CG 4.12Å; F162-L183 HydrophobicContact CB-CD2 4Å; V166-L183 HydrophobicContact CB-CD1 4.03Å; V166-L183 HydrophobicContact CG1-CD1 4.22Å; V166-L183 HydrophobicContact CG2-CD1 4.1Å; V166-L183 HydrophobicContact CG2-CD2 3.83Å; V166-L183 HydrophobicContact CG2-CG 4.49Å; Y179-L183 WeakPolarHBondContact O-CG 3.22Å; Y179-L183 PolarHBondContact O-N 3.23Å; K180-L183 PolarHBondContact O-N 2.94Å; L183-I186 PolarHBondContact O-N 2.94Å; L183-G187 PolarHBondContact O-N 3.23Å
184D96.8Very high96.7Very high32 Ų3239.8 Ų39.817%0.17120%0.197CC..Hα-helixtrans-61.2-46.5174.9-72.1-6.1000110.9L155 K180 L182 G187 L188L155-D184 VanDerWaalsContact CD2-CA 3.49Å; L155-D184 HydrophobicContact CD2-CB 3.47Å; L155-D184 VanDerWaalsContact CD2-CB 3.47Å; K180-D184 IonicContact NZ-OD1 3.65Å; K180-D184 PolarHBondContact NZ-OD1 2.76Å; K180-D184 IonicContact NZ-OD2 3.78Å; K180-D184 PolarHBondContact NZ-OD2 2.71Å; K180-D184 WeakPolarHBondContact O-CB 3.25Å; K180-D184 PolarHBondContact O-N 3.24Å; L182-D184 VanDerWaalsContact C-N 3.32Å; L182-D184 PolarHBondContact O-N 3.46Å; D184-G187 PolarHBondContact O-N 3.27Å; D184-L188 WeakPolarHBondContact O-CG 3.44Å; D184-L188 PolarHBondContact O-N 2.84Å
185A97.7Very high96.7Very high1 Ų130.3 Ų30.31%0.00815%0.153CC..Hα-helixtrans-63.5-43.5178.300000112P181 L182 F189 R276 L280P181-A185 WeakPolarHBondContact O-CB 3.49Å; P181-A185 PolarHBondContact O-N 2.98Å; L182-A185 PolarHBondContact O-N 3Å; A185-F189 WeakPolarHBondContact O-CB 3.39Å; A185-F189 PolarHBondContact O-N 3.21Å; A185-R276 HydrophobicContact CB-CG 4.05Å; A185-L280 HydrophobicContact CB-CD1 4.09Å
186I96Very high96.7Very high1 Ų128.4 Ų28.41%0.00514%0.143CC..Hα-helixtrans-63.2-45.1175.9-70.7172.7000110.5F41 F162 L182 L183 F189 Y190 L290 I294F41-I186 HydrophobicContact CE2-CD1 4.42Å; F41-I186 HydrophobicContact CZ-CD1 4.3Å; F162-I186 HydrophobicContact CD2-CG2 4.33Å; F162-I186 HydrophobicContact CE2-CG2 4.01Å; L182-I186 HydrophobicContact CD1-CD1 3.8Å; L182-I186 HydrophobicContact CD1-CG1 4.06Å; L182-I186 HydrophobicContact CG-CD1 3.83Å; L182-I186 HydrophobicContact CG-CG1 4.46Å; L182-I186 WeakPolarHBondContact O-CB 3.05Å; L182-I186 VanDerWaalsContact O-CG1 3.25Å; L182-I186 WeakPolarHBondContact O-CG1 3.48Å; L182-I186 PolarHBondContact O-N 3.2Å; L183-I186 PolarHBondContact O-N 2.94Å; I186-F189 PolarHBondContact O-N 3.42Å; I186-Y190 HydrophobicContact CG2-CD2 3.52Å; I186-Y190 HydrophobicContact CG2-CE2 3.62Å; I186-Y190 WeakPolarHBondContact O-CB 3.26Å; I186-Y190 VanDerWaalsContact O-CD2 3.3Å; I186-Y190 WeakPolarHBondContact O-CD2 3.43Å; I186-Y190 PolarHBondContact O-N 2.83Å; I186-L290 HydrophobicContact CD1-CD1 4.06Å; I186-L290 HydrophobicContact CD1-CD2 4.21Å; I186-I294 HydrophobicContact CG1-CD1 4.15Å
187G95.5Very high96.7Very high0 Ų022.6 Ų22.60%012%0.116CC..Hα-helixtrans-60.6-48.3179.700000112.4L183 D184 Y190 Q191L183-G187 PolarHBondContact O-N 3.23Å; D184-G187 PolarHBondContact O-N 3.27Å; G187-Y190 PolarHBondContact O-N 2.91Å; G187-Q191 PolarHBondContact O-N 2.8Å
188L97.8Very high96.5Very high14 Ų1420.2 Ų20.27%0.07310%0.101CC..Hα-helixtrans-61.3-45.8174.7-73.3171.2000112E151 V154 L155 D184 Y190 Q191 I192 L273E151-L188 HydrophobicContact CB-CD2 3.86Å; E151-L188 HydrophobicContact CG-CD2 3.82Å; V154-L188 HydrophobicContact CB-CD2 3.94Å; V154-L188 HydrophobicContact CG1-CD2 3.89Å; L155-L188 HydrophobicContact CD2-CD1 4.08Å; L155-L188 HydrophobicContact CD2-CD2 4.4Å; L155-L188 HydrophobicContact CD2-CG 3.84Å; L155-L188 HydrophobicContact CG-CD2 4.44Å; L155-L188 HydrophobicContact CG-CG 4.38Å; D184-L188 WeakPolarHBondContact O-CG 3.44Å; D184-L188 PolarHBondContact O-N 2.84Å; L188-Y190 PolarHBondContact O-N 3.26Å; L188-Q191 PolarHBondContact O-N 3.44Å; L188-I192 WeakPolarHBondContact O-CB 3.41Å; L188-I192 WeakPolarHBondContact O-CG1 3.4Å; L188-I192 PolarHBondContact O-N 2.93Å; L188-L273 HydrophobicContact CB-CD1 3.97Å; L188-L273 HydrophobicContact CB-CD2 3.96Å; L188-L273 HydrophobicContact CD1-CD2 4.28Å
189F97.3Very high96.5Very high0 Ų015.1 Ų15.10%07%0.074CC..Hα-helixtrans-59.6-46.3178.7-179.9-119000111.7A185 I186 R193 L270 L273 E274 I294 L297 T298 H301A185-F189 WeakPolarHBondContact O-CB 3.39Å; A185-F189 PolarHBondContact O-N 3.21Å; I186-F189 PolarHBondContact O-N 3.42Å; F189-R193 WeakPolarHBondContact O-CB 3.38Å; F189-R193 PolarHBondContact O-N 3.5Å; F189-L270 HydrophobicContact CD2-CD2 3.86Å; F189-L270 HydrophobicContact CE2-CB 4.42Å; F189-L270 HydrophobicContact CE2-CD2 3.99Å; F189-L273 HydrophobicContact CB-CB 4.08Å; F189-L273 HydrophobicContact CD2-CB 4.03Å; F189-L273 HydrophobicContact CG-CB 4.49Å; F189-E274 HydrophobicContact CE2-CB 4Å; F189-E274 HydrophobicContact CZ-CB 4.34Å; F189-I294 HydrophobicContact CD1-CD1 4.39Å; F189-I294 HydrophobicContact CE1-CG2 4.28Å; F189-L297 HydrophobicContact CD1-CD1 4.35Å; F189-L297 HydrophobicContact CE1-CB 3.72Å; F189-L297 HydrophobicContact CE1-CD1 3.89Å; F189-L297 HydrophobicContact CE1-CG 4.5Å; F189-L297 HydrophobicContact CZ-CB 4.13Å; F189-T298 HydrophobicContact CZ-CG2 4.46Å; F189-H301 AromaticContact CE2-CE1 3.55Å; F189-H301 AromaticContact CZ-CE1 3.72Å
190Y94.3Very high96.3Very high29 Ų2915.5 Ų15.511%0.1148%0.077CC..Hα-helixtrans-63-46.5178.1-94.7-71000113I33 L37 F162 I186 G187 L188 R193 D194 V293 L297I33-Y190 HydrophobicContact CD1-CE1 4.23Å; I33-Y190 HydrophobicContact CG2-CE1 3.78Å; I33-Y190 WeakPolarHBondContact CG2-OH 3.3Å; L37-Y190 HydrophobicContact CD1-CE2 4Å; F162-Y190 AromaticContact CE2-CD2 3.94Å; F162-Y190 HydrophobicContact CE2-CD2 3.94Å; F162-Y190 AromaticContact CZ-CD2 3.98Å; F162-Y190 HydrophobicContact CZ-CD2 3.98Å; F162-Y190 HydrophobicContact CZ-CE2 4.22Å; I186-Y190 HydrophobicContact CG2-CD2 3.52Å; I186-Y190 HydrophobicContact CG2-CE2 3.62Å; I186-Y190 WeakPolarHBondContact O-CB 3.26Å; I186-Y190 VanDerWaalsContact O-CD2 3.3Å; I186-Y190 WeakPolarHBondContact O-CD2 3.43Å; I186-Y190 PolarHBondContact O-N 2.83Å; G187-Y190 PolarHBondContact O-N 2.91Å; L188-Y190 PolarHBondContact O-N 3.26Å; Y190-R193 PolarHBondContact O-N 3.02Å; Y190-D194 WeakPolarHBondContact O-CB 3.39Å; Y190-D194 PolarHBondContact O-N 3.08Å; Y190-V293 WeakPolarHBondContact OH-CG1 3.36Å; Y190-L297 HydrophobicContact CD1-CD1 4.32Å; Y190-L297 HydrophobicContact CD1-CD2 4.45Å; Y190-L297 HydrophobicContact CE1-CD1 3.51Å; Y190-L297 HydrophobicContact CE1-CD2 3.6Å; Y190-L297 HydrophobicContact CE1-CG 4.18Å; Y190-L297 HydrophobicContact CE2-CD1 3.84Å; Y190-L297 WeakPolarHBondContact OH-CD1 3.47Å
191Q96.1Very high96.1Very high20 Ų2012.2 Ų12.29%0.0936%0.064CC..Hα-helixtrans-69.2-47.4-176.2-170.562.955.400111.4Y150 V154 T158 G187 L188 R193 D194 D195Y150-Q191 WeakPolarHBondContact OH-CG 3.49Å; V154-Q191 HydrophobicContact CB-CB 4.39Å; V154-Q191 HydrophobicContact CB-CG 4.41Å; V154-Q191 HydrophobicContact CG1-CB 3.41Å; V154-Q191 VanDerWaalsContact CG1-CB 3.41Å; V154-Q191 HydrophobicContact CG1-CG 3.9Å; V154-Q191 HydrophobicContact CG2-CB 4.05Å; V154-Q191 HydrophobicContact CG2-CG 3.64Å; T158-Q191 PolarHBondContact OG1-OE1 3.48Å; T158-Q191 VanDerWaalsContact OG1-OE1 3.11Å; G187-Q191 PolarHBondContact O-N 2.8Å; L188-Q191 PolarHBondContact O-N 3.44Å; Q191-R193 PolarHBondContact O-N 3.24Å; Q191-D194 WeakPolarHBondContact O-CB 3.27Å; Q191-D194 PolarHBondContact O-N 3.38Å; Q191-D195 PolarHBondContact NE2-OD1 3.4Å; Q191-D195 WeakPolarHBondContact O-CB 3.44Å; Q191-D195 PolarHBondContact O-N 2.95Å
192I98.2Very high95.6Very high0 Ų013.1 Ų13.10%07%0.071CC..Hα-helixtrans-63-32.5178.9-65.4174.4000110.6Y150 L188 Y196 Y221 T266 K269 L270 L273Y150-I192 HydrophobicContact CE1-CD1 4.32Å; Y150-I192 HydrophobicContact CE1-CG1 3.94Å; L188-I192 WeakPolarHBondContact O-CB 3.41Å; L188-I192 WeakPolarHBondContact O-CG1 3.4Å; L188-I192 PolarHBondContact O-N 2.93Å; I192-Y196 VanDerWaalsContact O-CB 3.3Å; I192-Y196 WeakPolarHBondContact O-CB 3.33Å; I192-Y196 PolarHBondContact O-N 2.64Å; I192-Y221 HydrophobicContact CB-CG 4.47Å; I192-Y221 HydrophobicContact CD1-CD2 3.74Å; I192-Y221 HydrophobicContact CD1-CE2 3.87Å; I192-Y221 HydrophobicContact CD1-CG 4.12Å; I192-Y221 HydrophobicContact CG1-CD2 3.9Å; I192-Y221 HydrophobicContact CG1-CG 3.89Å; I192-Y221 HydrophobicContact CG2-CD1 3.75Å; I192-Y221 HydrophobicContact CG2-CE1 4.29Å; I192-Y221 HydrophobicContact CG2-CG 3.91Å; I192-T266 HydrophobicContact CG2-CG2 3.79Å; I192-K269 HydrophobicContact CD1-CG 3.86Å; I192-L270 HydrophobicContact CB-CD2 4.06Å; I192-L270 HydrophobicContact CG2-CD2 3.77Å; I192-L270 HydrophobicContact CG2-CG 3.96Å; I192-L273 HydrophobicContact CD1-CD1 3.72Å
193R96.7Very high95Very high16 Ų1614.8 Ų14.86%0.068%0.083CC..Hα-helixtrans-67.6-41.1173.8-173.1-163.9178-67.7-1.9111.4F189 Y190 Q191 A197 L270 L297 D299 L300F189-R193 WeakPolarHBondContact O-CB 3.38Å; F189-R193 PolarHBondContact O-N 3.5Å; Y190-R193 PolarHBondContact O-N 3.02Å; Q191-R193 PolarHBondContact O-N 3.24Å; R193-A197 VanDerWaalsContact O-CB 3.27Å; R193-A197 WeakPolarHBondContact O-CB 3.33Å; R193-A197 PolarHBondContact O-N 3.08Å; R193-L270 HydrophobicContact CB-CD2 3.9Å; R193-L297 WeakPolarHBondContact CD-O 3.42Å; R193-L297 PolarHBondContact NE-O 3.4Å; R193-D299 IonicContact CZ-OD1 3.22Å; R193-D299 IonicContact NH2-OD1 2.64Å; R193-D299 PolarHBondContact NH2-OD1 3.44Å; R193-D299 IonicContact NH2-OD2 3.06Å; R193-L300 HydrophobicContact CB-CD2 4.43Å; R193-L300 HydrophobicContact CG-CB 4.35Å; R193-L300 HydrophobicContact CG-CD2 3.39Å; R193-L300 VanDerWaalsContact O-CD2 3.25Å; R193-L300 WeakPolarHBondContact O-CD2 3.44Å
194D95Very high94.4Very high49 Ų4915.4 Ų15.426%0.2629%0.085SC..Hα-helixtrans-64-47.6177.4-163.764.5000110.9Y190 Q191 Y196 A197 N198 Y204Y190-D194 WeakPolarHBondContact O-CB 3.39Å; Y190-D194 PolarHBondContact O-N 3.08Å; Q191-D194 WeakPolarHBondContact O-CB 3.27Å; Q191-D194 PolarHBondContact O-N 3.38Å; D194-Y196 VanDerWaalsContact C-N 3.34Å; D194-Y196 PolarHBondContact O-N 3.14Å; D194-A197 PolarHBondContact O-N 3.03Å; D194-N198 PolarHBondContact O-N 3.14Å; D194-Y204 WeakPolarHBondContact OD1-CE2 3.37Å; D194-Y204 VanDerWaalsContact OD1-CZ 3.23Å; D194-Y204 PolarHBondContact OD1-OH 3.32Å; D194-Y204 PolarHBondContact OD2-OH 2.98Å; D194-Y204 VanDerWaalsContact OD2-OH 3.06Å
195D97.5Very high94Very high1 Ų114.9 Ų14.91%0.0058%0.081CC..Hα-helixtrans-58.9-42.8175.5-73.620.4000112.1Y150 Q191 N198 S220 Y221Y150-D195 PolarHBondContact OH-OD2 3.26Å; Q191-D195 PolarHBondContact NE2-OD1 3.4Å; Q191-D195 WeakPolarHBondContact O-CB 3.44Å; Q191-D195 PolarHBondContact O-N 2.95Å; D195-N198 WeakPolarHBondContact O-CB 3.48Å; D195-S220 WeakPolarHBondContact OD2-CA 3.22Å; D195-S220 WeakPolarHBondContact OD2-CB 3.43Å; D195-Y221 PolarHBondContact OD2-N 3.24Å
196Y97.9Very high93.2Very high1 Ų122.8 Ų22.80%0.00411%0.111CC..Hα-helixtrans-65.8-47.2174.9-171-121.6000111.4I192 D194 N198 L199 V200 P222 L263 T266 V267 L270 L300 I311I192-Y196 VanDerWaalsContact O-CB 3.3Å; I192-Y196 WeakPolarHBondContact O-CB 3.33Å; I192-Y196 PolarHBondContact O-N 2.64Å; D194-Y196 VanDerWaalsContact C-N 3.34Å; D194-Y196 PolarHBondContact O-N 3.14Å; Y196-N198 VanDerWaalsContact C-N 3.26Å; Y196-N198 PolarHBondContact O-N 3.2Å; Y196-L199 PolarHBondContact O-N 3.17Å; Y196-L199 VanDerWaalsContact O-N 3.15Å; Y196-V200 HydrophobicContact CD1-CG2 3.96Å; Y196-V200 HydrophobicContact CD2-CG1 4.48Å; Y196-V200 HydrophobicContact CD2-CG2 4.37Å; Y196-V200 HydrophobicContact CE1-CG2 3.65Å; Y196-V200 HydrophobicContact CE2-CG1 4.04Å; Y196-V200 HydrophobicContact CE2-CG2 4.1Å; Y196-V200 HydrophobicContact CG-CG2 4.3Å; Y196-V200 WeakPolarHBondContact O-CG2 3.38Å; Y196-V200 PolarHBondContact O-N 2.87Å; Y196-P222 HydrophobicContact CD2-CG 4.38Å; Y196-L263 HydrophobicContact CD2-CD2 4.49Å; Y196-L263 HydrophobicContact CE2-CB 4.11Å; Y196-L263 HydrophobicContact CE2-CD2 4.19Å; Y196-T266 HydrophobicContact CD2-CG2 3.63Å; Y196-T266 HydrophobicContact CE2-CG2 4.44Å; Y196-T266 HydrophobicContact CG-CG2 3.88Å; Y196-V267 HydrophobicContact CE1-CG2 3.87Å; Y196-V267 HydrophobicContact CE2-CG2 4.22Å; Y196-V267 VanDerWaalsContact OH-CG2 3.31Å; Y196-V267 WeakPolarHBondContact OH-CG2 3.43Å; Y196-L270 HydrophobicContact CD1-CD1 4.09Å; Y196-L270 HydrophobicContact CG-CD1 4.34Å; Y196-L300 HydrophobicContact CD1-CD1 4.49Å; Y196-L300 HydrophobicContact CD1-CD2 3.7Å; Y196-L300 HydrophobicContact CD1-CG 3.82Å; Y196-L300 HydrophobicContact CE1-CG 4.27Å; Y196-L300 HydrophobicContact CG-CD2 4.49Å; Y196-I311 WeakPolarHBondContact OH-CG1 3.35Å
197A95.3Very high92.6Very high0 Ų026.7 Ų26.70%013%0.128CC..Hα-helixtrans-61.2-33.9179.900000112.6R193 D194 L199 D201 Y204 H205 L300R193-A197 VanDerWaalsContact O-CB 3.27Å; R193-A197 WeakPolarHBondContact O-CB 3.33Å; R193-A197 PolarHBondContact O-N 3.08Å; D194-A197 PolarHBondContact O-N 3.03Å; A197-L199 PolarHBondContact O-N 3.11Å; A197-D201 HydrophobicContact CB-CB 4.08Å; A197-D201 WeakPolarHBondContact O-CB 3.27Å; A197-D201 PolarHBondContact O-N 3.22Å; A197-Y204 HydrophobicContact CB-CD1 4.44Å; A197-Y204 HydrophobicContact CB-CD2 3.71Å; A197-Y204 HydrophobicContact CB-CE2 4.2Å; A197-Y204 HydrophobicContact CB-CG 3.86Å; A197-H205 PolarHBondContact O-NE2 3.03Å; A197-L300 HydrophobicContact CB-CD1 4.23Å; A197-L300 HydrophobicContact CB-CD2 3.79Å
198N95.3Very high92.1Very high0 Ų027.2 Ų27.20%013%0.13CC..Hα-helixtrans-56.4-33.8176.9-170.9-73.1000112.7D194 D195 Y196 Y204 H205 A211 E212 D213D194-N198 PolarHBondContact O-N 3.14Å; D195-N198 WeakPolarHBondContact O-CB 3.48Å; Y196-N198 VanDerWaalsContact C-N 3.26Å; Y196-N198 PolarHBondContact O-N 3.2Å; N198-Y204 HydrophobicContact CB-CE1 4.05Å; N198-H205 PolarHBondContact O-CD2 3.49Å; N198-H205 PolarHBondContact O-NE2 3.16Å; N198-A211 VanDerWaalsContact O-CA 3.25Å; N198-A211 WeakPolarHBondContact O-CA 3.48Å; N198-A211 PolarHBondContact O-N 3.25Å; N198-A211 VanDerWaalsContact O-N 3.16Å; N198-A211 VanDerWaalsContact OD1-C 3.29Å; N198-A211 VanDerWaalsContact OD1-CA 3.32Å; N198-A211 WeakPolarHBondContact OD1-CA 3.22Å; N198-E212 PolarHBondContact OD1-N 3.43Å; N198-D213 WeakPolarHBondContact CB-OD2 3.13Å; N198-D213 VanDerWaalsContact CG-OD2 3.28Å; N198-D213 PolarHBondContact ND2-OD1 3.35Å; N198-D213 PolarHBondContact OD1-N 3.19Å
199L95.4Very high91.6Very high0 Ų027.9 Ų27.90%013%0.134CC..Hα-helixtrans-94.6-32.8-175.7-58.2-179.5000113.5Y196 A197 A211 L214 P222 V254 M257 L263Y196-L199 PolarHBondContact O-N 3.17Å; Y196-L199 VanDerWaalsContact O-N 3.15Å; A197-L199 PolarHBondContact O-N 3.11Å; L199-A211 HydrophobicContact CD2-CB 3.96Å; L199-L214 HydrophobicContact CD2-CG 4.48Å; L199-P222 HydrophobicContact CD1-CB 3.72Å; L199-P222 HydrophobicContact CD1-CG 3.8Å; L199-V254 HydrophobicContact CB-CG2 4.35Å; L199-V254 HydrophobicContact CD2-CG2 4.32Å; L199-M257 HydrophobicContact CD1-CE 3.7Å; L199-M257 HydrophobicContact CD1-SD 4.36Å; L199-M257 HydrophobicContact CD2-CE 4.36Å; L199-L263 HydrophobicContact CD1-CD2 4.35Å
200V93.3Very high91.3Very high12 Ų1228 Ų287%0.07314%0.135CC..Hα-helixtrans-121.6-19.9-167-48.40000115.5Y196 S202 L263 I311 Y318Y196-V200 HydrophobicContact CD1-CG2 3.96Å; Y196-V200 HydrophobicContact CD2-CG1 4.48Å; Y196-V200 HydrophobicContact CD2-CG2 4.37Å; Y196-V200 HydrophobicContact CE1-CG2 3.65Å; Y196-V200 HydrophobicContact CE2-CG1 4.04Å; Y196-V200 HydrophobicContact CE2-CG2 4.1Å; Y196-V200 HydrophobicContact CG-CG2 4.3Å; Y196-V200 WeakPolarHBondContact O-CG2 3.38Å; Y196-V200 PolarHBondContact O-N 2.87Å; V200-S202 PolarHBondContact O-N 2.75Å; V200-L263 HydrophobicContact CG1-CD1 3.92Å; V200-L263 HydrophobicContact CG1-CD2 4.3Å; V200-I311 HydrophobicContact CB-CD1 4.01Å; V200-I311 HydrophobicContact CB-CG1 3.86Å; V200-I311 HydrophobicContact CG1-CG1 4.11Å; V200-I311 HydrophobicContact CG2-CD1 4.11Å; V200-I311 HydrophobicContact CG2-CG1 3.91Å; V200-Y318 PolarHBondContact O-OH 2.67Å
201D91Very high91.3Very high34 Ų3426.6 Ų26.618%0.18213%0.13CC..  trans-93.6102.9-173.9179.625.2000112A197 S203 Y204 H205 L300A197-D201 HydrophobicContact CB-CB 4.08Å; A197-D201 WeakPolarHBondContact O-CB 3.27Å; A197-D201 PolarHBondContact O-N 3.22Å; D201-S203 PolarHBondContact O-N 3.3Å; D201-S203 WeakPolarHBondContact OD1-CB 3.4Å; D201-S203 PolarHBondContact OD1-N 3.45Å; D201-S203 PolarHBondContact OD1-OG 2.91Å; D201-S203 PolarHBondContact OD2-OG 3.22Å; D201-Y204 WeakPolarHBondContact O-CA 3.42Å; D201-Y204 VanDerWaalsContact O-CB 3.22Å; D201-Y204 WeakPolarHBondContact O-CB 2.87Å; D201-Y204 PolarHBondContact O-N 3.17Å; D201-Y204 WeakPolarHBondContact OD2-CB 3.47Å; D201-Y204 PolarHBondContact OD2-N 2.89Å; D201-Y204 VanDerWaalsContact OD2-N 3.17Å; D201-H205 PolarHBondContact O-CD2 2.99Å; D201-H205 VanDerWaalsContact O-CD2 3.26Å; D201-H205 PolarHBondContact O-N 2.76Å; D201-H205 PolarHBondContact O-NE2 3.03Å; D201-L300 HydrophobicContact CB-CD1 3.85Å
202S86.6Confident91.2Very high57 Ų5726 Ų2640%0.39913%0.127SC..Hα-helixtrans-52.2-30173.669.90000113.9V200 Y204 R206V200-S202 PolarHBondContact O-N 2.75Å; S202-Y204 VanDerWaalsContact C-N 3.34Å; S202-R206 PolarHBondContact O-N 2.96Å; S202-R206 PolarHBondContact O-NH1 3.2Å; S202-R206 VanDerWaalsContact O-NH1 3.11Å
203S84.8Confident91.2Very high35 Ų3526 Ų2625%0.24513%0.127CC..Hα-helixtrans-71.9-32177.4100.70000112.4D201D201-S203 PolarHBondContact O-N 3.3Å; D201-S203 WeakPolarHBondContact OD1-CB 3.4Å; D201-S203 PolarHBondContact OD1-N 3.45Å; D201-S203 PolarHBondContact OD1-OG 2.91Å; D201-S203 PolarHBondContact OD2-OG 3.22Å
204Y83.9Confident91.2Very high22 Ų2225.2 Ų25.29%0.08612%0.124CC..Hα-helixtrans-73-42.4174.4-167.9-88.8000110.6D194 A197 N198 D201 S202 R206 K207 K208D194-Y204 WeakPolarHBondContact OD1-CE2 3.37Å; D194-Y204 VanDerWaalsContact OD1-CZ 3.23Å; D194-Y204 PolarHBondContact OD1-OH 3.32Å; D194-Y204 PolarHBondContact OD2-OH 2.98Å; D194-Y204 VanDerWaalsContact OD2-OH 3.06Å; A197-Y204 HydrophobicContact CB-CD1 4.44Å; A197-Y204 HydrophobicContact CB-CD2 3.71Å; A197-Y204 HydrophobicContact CB-CE2 4.2Å; A197-Y204 HydrophobicContact CB-CG 3.86Å; N198-Y204 HydrophobicContact CB-CE1 4.05Å; D201-Y204 WeakPolarHBondContact O-CA 3.42Å; D201-Y204 VanDerWaalsContact O-CB 3.22Å; D201-Y204 WeakPolarHBondContact O-CB 2.87Å; D201-Y204 PolarHBondContact O-N 3.17Å; D201-Y204 WeakPolarHBondContact OD2-CB 3.47Å; D201-Y204 PolarHBondContact OD2-N 2.89Å; D201-Y204 VanDerWaalsContact OD2-N 3.17Å; S202-Y204 VanDerWaalsContact C-N 3.34Å; Y204-R206 PolarHBondContact O-N 2.89Å; Y204-K207 WeakPolarHBondContact O-CA 3.5Å; Y204-K207 WeakPolarHBondContact O-CB 3.41Å; Y204-K207 PolarHBondContact O-N 3.43Å; Y204-K208 HydrophobicContact CE1-CB 4.46Å; Y204-K208 HydrophobicContact CE1-CD 3.61Å; Y204-K208 HydrophobicContact CE1-CG 4.19Å; Y204-K208 PolarHBondContact O-N 2.96Å; Y204-K208 VanDerWaalsContact O-N 3.12Å; Y204-K208 WeakPolarHBondContact OH-CE 3.49Å; Y204-K208 PolarHBondContact OH-NZ 3.02Å; Y204-K208 VanDerWaalsContact OH-NZ 3.16Å
205H87.5Confident91.3Very high20 Ų2024.5 Ų24.59%0.09312%0.121CC..Hα-helixtrans-60.5-28.2177.4-53.7160.4000113.1A197 N198 D201 K207 K208 F210 Y318A197-H205 PolarHBondContact O-NE2 3.03Å; N198-H205 PolarHBondContact O-CD2 3.49Å; N198-H205 PolarHBondContact O-NE2 3.16Å; D201-H205 PolarHBondContact O-CD2 2.99Å; D201-H205 VanDerWaalsContact O-CD2 3.26Å; D201-H205 PolarHBondContact O-N 2.76Å; D201-H205 PolarHBondContact O-NE2 3.03Å; H205-K207 VanDerWaalsContact C-N 3.27Å; H205-K207 PolarHBondContact O-N 2.89Å; H205-K208 CarbonylContact O-C 3.59Å; H205-K208 VanDerWaalsContact O-C 3.28Å; H205-F210 HydrophobicContact CB-CB 4.39Å; H205-F210 AromaticContact CE1-CD2 3.31Å; H205-F210 WeakPolarHBondContact CE1-CD2 3.22Å; H205-F210 AromaticContact CE1-CE2 3.73Å; H205-F210 AromaticContact ND1-CD2 3.43Å; H205-F210 WeakPolarHBondContact ND1-CD2 3.12Å; H205-F210 AromaticContact NE2-CD2 3.79Å; H205-Y318 AromaticContact CE1-CZ 3.92Å; H205-Y318 PolarHBondContact CE1-OH 2.72Å; H205-Y318 AromaticContact ND1-CZ 3.91Å; H205-Y318 PolarHBondContact ND1-OH 2.76Å
206R81.3Confident91.2Very high168 Ų16824.6 Ų24.663%0.63412%0.122SC*.THydrogen-bonded Turntrans-72.6-20.4173.4-70-170.3-63.2-83.38.1113.7G81 S202 Y204G81-R206 WeakPolarHBondContact CA-O 3.32Å; S202-R206 PolarHBondContact O-N 2.96Å; S202-R206 PolarHBondContact O-NH1 3.2Å; S202-R206 VanDerWaalsContact O-NH1 3.11Å; Y204-R206 PolarHBondContact O-N 2.89Å
207K83.2Confident91.1Very high82 Ų8224.6 Ų24.636%0.35712%0.122SC..THydrogen-bonded Turntrans-93.6-21.6-180-67.4173-174.11660112.3R79 R80 G81 Y204 H205R79-K207 CarbonylContact C-O 3.28Å; R80-K207 PolarHBondContact N-O 3.48Å; G81-K207 PolarHBondContact N-O 2.93Å; Y204-K207 WeakPolarHBondContact O-CA 3.5Å; Y204-K207 WeakPolarHBondContact O-CB 3.41Å; Y204-K207 PolarHBondContact O-N 3.43Å; H205-K207 VanDerWaalsContact C-N 3.27Å; H205-K207 PolarHBondContact O-N 2.89Å
208K84.8Confident91.2Very high12 Ų1225.1 Ų25.15%0.05212%0.124CC..SBendtrans-128.4-143.8175.8-69.2-161.8171.9-171.80108.6L78 Y204 H205 E212L78-K208 VanDerWaalsContact CD1-O 3.31Å; L78-K208 WeakPolarHBondContact CD1-O 3.45Å; Y204-K208 HydrophobicContact CE1-CB 4.46Å; Y204-K208 HydrophobicContact CE1-CD 3.61Å; Y204-K208 HydrophobicContact CE1-CG 4.19Å; Y204-K208 PolarHBondContact O-N 2.96Å; Y204-K208 VanDerWaalsContact O-N 3.12Å; Y204-K208 WeakPolarHBondContact OH-CE 3.49Å; Y204-K208 PolarHBondContact OH-NZ 3.02Å; Y204-K208 VanDerWaalsContact OH-NZ 3.16Å; H205-K208 CarbonylContact O-C 3.59Å; H205-K208 VanDerWaalsContact O-C 3.28Å; K208-E212 WeakPolarHBondContact CD-OE2 3.37Å
209T88.3Confident91.3Very high27 Ų2725.2 Ų25.217%0.16613%0.125CC..  trans-110.5153.1170-46.30000109.3A211 E212T209-A211 PolarHBondContact O-N 2.91Å; T209-E212 WeakPolarHBondContact CB-OE1 3.42Å; T209-E212 PolarHBondContact OG1-OE1 3.43Å
210F91.8Very high91.4Very high3 Ų325.2 Ų25.21%0.01313%0.125CC..THydrogen-bonded Turntrans-59.5128173.9168.3-129.4000111H205 E212 K250 L251 V254 Y318 L321H205-F210 HydrophobicContact CB-CB 4.39Å; H205-F210 AromaticContact CE1-CD2 3.31Å; H205-F210 WeakPolarHBondContact CE1-CD2 3.22Å; H205-F210 AromaticContact CE1-CE2 3.73Å; H205-F210 AromaticContact ND1-CD2 3.43Å; H205-F210 WeakPolarHBondContact ND1-CD2 3.12Å; H205-F210 AromaticContact NE2-CD2 3.79Å; F210-E212 PolarHBondContact O-N 2.87Å; F210-E212 VanDerWaalsContact O-N 3.16Å; F210-K250 HydrophobicContact CD1-CB 4.19Å; F210-K250 HydrophobicContact CD1-CD 4.21Å; F210-K250 HydrophobicContact CE1-CB 3.69Å; F210-K250 HydrophobicContact CZ-CB 4.35Å; F210-K250 WeakPolarHBondContact O-CD 3.31Å; F210-K250 PolarHBondContact O-NZ 3.32Å; F210-L251 HydrophobicContact CE1-CB 4.1Å; F210-L251 HydrophobicContact CZ-CB 4.23Å; F210-L251 HydrophobicContact CZ-CD1 4.21Å; F210-V254 HydrophobicContact CZ-CG2 4.36Å; F210-Y318 HydrophobicContact CE2-CE2 4.17Å; F210-Y318 HydrophobicContact CZ-CE2 4.43Å; F210-L321 HydrophobicContact CB-CD2 4.36Å; F210-L321 HydrophobicContact CD1-CD1 3.87Å; F210-L321 HydrophobicContact CD1-CD2 4.43Å; F210-L321 HydrophobicContact CE1-CD1 4.01Å
211A93.4Very high91.7Very high0 Ų024.9 Ų24.90%012%0.122CC..THydrogen-bonded Turntrans43.949.5178.200000112N198 L199 T209 D213 L214 K250 V254N198-A211 VanDerWaalsContact O-CA 3.25Å; N198-A211 WeakPolarHBondContact O-CA 3.48Å; N198-A211 PolarHBondContact O-N 3.25Å; N198-A211 VanDerWaalsContact O-N 3.16Å; N198-A211 VanDerWaalsContact OD1-C 3.29Å; N198-A211 VanDerWaalsContact OD1-CA 3.32Å; N198-A211 WeakPolarHBondContact OD1-CA 3.22Å; L199-A211 HydrophobicContact CD2-CB 3.96Å; T209-A211 PolarHBondContact O-N 2.91Å; A211-D213 PolarHBondContact O-N 3.05Å; A211-L214 HydrophobicContact CB-CD1 3.99Å; A211-L214 HydrophobicContact CB-CG 4.35Å; A211-L214 WeakPolarHBondContact O-CB 3.44Å; A211-L214 PolarHBondContact O-N 3.46Å; A211-L214 VanDerWaalsContact O-N 3.08Å; A211-K250 HydrophobicContact CB-CB 4.3Å; A211-K250 HydrophobicContact CB-CD 4.24Å; A211-V254 HydrophobicContact CB-CG2 4.35Å
212E94.8Very high92.1Very high7 Ų723.3 Ų23.33%0.03311%0.114CC..Hα-helixtrans-58.7-32.2-177.8-160.9168.9-119.800111.4N198 K208 T209 F210 L214 T215 E216N198-E212 PolarHBondContact OD1-N 3.43Å; K208-E212 WeakPolarHBondContact CD-OE2 3.37Å; T209-E212 WeakPolarHBondContact CB-OE1 3.42Å; T209-E212 PolarHBondContact OG1-OE1 3.43Å; F210-E212 PolarHBondContact O-N 2.87Å; F210-E212 VanDerWaalsContact O-N 3.16Å; E212-L214 PolarHBondContact O-N 2.97Å; E212-L214 VanDerWaalsContact O-N 3.14Å; E212-T215 CarbonylContact O-C 3.55Å; E212-T215 WeakPolarHBondContact O-CA 3.24Å; E212-T215 WeakPolarHBondContact O-CB 3.41Å; E212-T215 PolarHBondContact O-N 2.98Å; E212-E216 HydrophobicContact CG-CG 4.32Å; E212-E216 WeakPolarHBondContact CG-OE1 3.46Å; E212-E216 WeakPolarHBondContact O-CG 3.42Å; E212-E216 PolarHBondContact O-N 2.82Å
213D96.8Very high92.6Very high0 Ų020.6 Ų20.60%010%0.095CC..Hα-helixtrans-57.9-32.1177.3-67.5-12.4000111.7N198 A211 G217 K218 S220 I223N198-D213 WeakPolarHBondContact CB-OD2 3.13Å; N198-D213 VanDerWaalsContact CG-OD2 3.28Å; N198-D213 PolarHBondContact ND2-OD1 3.35Å; N198-D213 PolarHBondContact OD1-N 3.19Å; A211-D213 PolarHBondContact O-N 3.05Å; D213-G217 PolarHBondContact O-N 3.14Å; D213-K218 HydrophobicContact CB-CB 4.19Å; D213-K218 PolarHBondContact O-N 3.27Å; D213-K218 IonicContact OD1-NZ 3.81Å; D213-S220 WeakPolarHBondContact OD2-CB 3.34Å; D213-S220 PolarHBondContact OD2-OG 3.5Å; D213-I223 HydrophobicContact CB-CD1 4.42Å
214L97.5Very high93.3Very high0 Ų018.9 Ų18.90%08%0.083CC..Hα-helixtrans-72.3-31.1175.1-66.7176.9000112.9L199 A211 E212 I223 L240 K250 C253 V254L199-L214 HydrophobicContact CD2-CG 4.48Å; A211-L214 HydrophobicContact CB-CD1 3.99Å; A211-L214 HydrophobicContact CB-CG 4.35Å; A211-L214 WeakPolarHBondContact O-CB 3.44Å; A211-L214 PolarHBondContact O-N 3.46Å; A211-L214 VanDerWaalsContact O-N 3.08Å; E212-L214 PolarHBondContact O-N 2.97Å; E212-L214 VanDerWaalsContact O-N 3.14Å; L214-I223 HydrophobicContact CD2-CD1 3.76Å; L214-I223 HydrophobicContact CD2-CG1 4.46Å; L214-L240 HydrophobicContact CD2-CD1 3.97Å; L214-K250 HydrophobicContact CB-CG 4.38Å; L214-K250 HydrophobicContact CD1-CB 4.07Å; L214-K250 HydrophobicContact CD1-CG 4.17Å; L214-C253 HydrophobicContact CD1-CB 3.85Å; L214-V254 HydrophobicContact CD1-CG2 4.39Å
215T96.3Very high94Very high34 Ų3419.9 Ų19.921%0.2099%0.087CC..Hα-helixtrans-75.8-41.5173.7-58.70000110.4E212 G217 H243 T244 T245 K250E212-T215 CarbonylContact O-C 3.55Å; E212-T215 WeakPolarHBondContact O-CA 3.24Å; E212-T215 WeakPolarHBondContact O-CB 3.41Å; E212-T215 PolarHBondContact O-N 2.98Å; T215-G217 PolarHBondContact O-N 3.47Å; T215-H243 WeakPolarHBondContact O-CA 3.44Å; T215-H243 VanDerWaalsContact O-CB 3.24Å; T215-H243 WeakPolarHBondContact O-CB 3.27Å; T215-H243 PolarHBondContact O-ND1 3.26Å; T215-T244 PolarHBondContact OG1-O 2.87Å; T215-T245 HydrophobicContact CG2-CG2 3.83Å; T215-K250 WeakPolarHBondContact OG1-CE 3.04Å; T215-K250 PolarHBondContact OG1-NZ 3.44Å
216E95.2Very high94.5Very high3 Ų319 Ų191%0.0148%0.083CC..Hα-helixtrans-60.9-33.1173.1-66.9168.7-16200110.2D74 R139 E212 K218 H243D74-E216 HydrophobicContact CB-CG 4.08Å; R139-E216 VanDerWaalsContact CD-O 3.31Å; R139-E216 WeakPolarHBondContact CD-O 3.18Å; R139-E216 WeakPolarHBondContact CG-O 3.39Å; R139-E216 PolarHBondContact NE-O 2.99Å; R139-E216 PolarHBondContact NH2-O 3.16Å; E212-E216 HydrophobicContact CG-CG 4.32Å; E212-E216 WeakPolarHBondContact CG-OE1 3.46Å; E212-E216 WeakPolarHBondContact O-CG 3.42Å; E212-E216 PolarHBondContact O-N 2.82Å; E216-K218 VanDerWaalsContact C-N 3.3Å; E216-K218 HydrophobicContact CB-CB 3.96Å; E216-K218 VanDerWaalsContact OE2-CD 3.27Å; E216-K218 WeakPolarHBondContact OE2-CD 3.47Å; E216-H243 VanDerWaalsContact C-ND1 3.33Å; E216-H243 PolarHBondContact O-CE1 3.48Å; E216-H243 PolarHBondContact O-ND1 2.94Å
217G96.6Very high95.3Very high1 Ų112.1 Ų12.11%0.016%0.058CC..THydrogen-bonded Turntrans77.824.9-168.700000111.3D213 T215D213-G217 PolarHBondContact O-N 3.14Å; T215-G217 PolarHBondContact O-N 3.47Å
218K97.2Very high95.9Very high11 Ų1111.5 Ų11.55%0.0486%0.059CC..  trans-81.3135-174.8179.3175.2169.6-164.90110.6D213 E216 S220 I223D213-K218 HydrophobicContact CB-CB 4.19Å; D213-K218 PolarHBondContact O-N 3.27Å; D213-K218 IonicContact OD1-NZ 3.81Å; E216-K218 VanDerWaalsContact C-N 3.3Å; E216-K218 HydrophobicContact CB-CB 3.96Å; E216-K218 VanDerWaalsContact OE2-CD 3.27Å; E216-K218 WeakPolarHBondContact OE2-CD 3.47Å; K218-S220 PolarHBondContact O-N 3.32Å; K218-I223 WeakPolarHBondContact O-CD1 3.49Å
219F98.1Very high96.5Very high2 Ų213.7 Ų13.71%0.0097%0.071CC..  trans-80.969.4174.8-71.1-79.7000110.7W138 C144 P145 I223 V224 I227 M237 L240W138-F219 HydrophobicContact CB-CD2 3.72Å; W138-F219 HydrophobicContact CB-CE2 4.18Å; W138-F219 VanDerWaalsContact O-CE2 3.29Å; W138-F219 WeakPolarHBondContact O-CE2 3.13Å; C144-F219 VanDerWaalsContact CA-CE1 3.49Å; C144-F219 HydrophobicContact CB-CD1 3.89Å; C144-F219 HydrophobicContact CB-CE1 3.54Å; C144-F219 HydrophobicContact CB-CZ 4.26Å; P145-F219 HydrophobicContact CG-CB 4.26Å; F219-I223 HydrophobicContact CD1-CG2 4.35Å; F219-V224 HydrophobicContact CB-CG2 3.8Å; F219-V224 VanDerWaalsContact O-CG2 3.31Å; F219-V224 WeakPolarHBondContact O-CG2 3.29Å; F219-I227 HydrophobicContact CD1-CD1 4.21Å; F219-I227 HydrophobicContact CE1-CD1 3.81Å; F219-M237 HydrophobicContact CE1-SD 3.95Å; F219-M237 HydrophobicContact CZ-CE 4.05Å; F219-M237 HydrophobicContact CZ-SD 4.02Å; F219-L240 HydrophobicContact CD1-CD2 3.82Å; F219-L240 HydrophobicContact CE1-CD2 3.48Å; F219-L240 VanDerWaalsContact CE1-CD2 3.48Å; F219-L240 HydrophobicContact CE2-CD2 4.27Å; F219-L240 HydrophobicContact CG-CD2 4.36Å; F219-L240 HydrophobicContact CZ-CD2 3.74Å
220S97.9Very high96.9Very high0 Ų016.9 Ų16.90%08%0.081CC..  trans-68.9155.2173.974.60000111.2D195 D213 K218 P222 I223 V224D195-S220 WeakPolarHBondContact OD2-CA 3.22Å; D195-S220 WeakPolarHBondContact OD2-CB 3.43Å; D213-S220 WeakPolarHBondContact OD2-CB 3.34Å; D213-S220 PolarHBondContact OD2-OG 3.5Å; K218-S220 PolarHBondContact O-N 3.32Å; S220-P222 VanDerWaalsContact C-CD 3.5Å; S220-I223 WeakPolarHBondContact O-CA 3.36Å; S220-I223 WeakPolarHBondContact O-CB 3.28Å; S220-I223 PolarHBondContact O-N 2.77Å; S220-I223 VanDerWaalsContact OG-CD1 3.31Å; S220-I223 WeakPolarHBondContact OG-CD1 3.31Å; S220-V224 PolarHBondContact O-N 2.89Å
221Y98.7Very high96.9Very high5 Ų521.1 Ų21.12%0.0211%0.108CC..Hα-helixtrans-50.7-46.2-170.2-176.4-91.8000114.4E147 Y150 I192 D195 I223 V224 R225 T266 K269E147-Y221 HydrophobicContact CG-CE2 3.99Å; E147-Y221 PolarHBondContact OE1-OH 3.14Å; Y150-Y221 AromaticContact CD1-CD2 3.8Å; Y150-Y221 HydrophobicContact CD1-CD2 3.8Å; Y150-Y221 AromaticContact CE1-CD2 3.56Å; Y150-Y221 HydrophobicContact CE1-CD2 3.56Å; Y150-Y221 HydrophobicContact CE1-CG 4.24Å; I192-Y221 HydrophobicContact CB-CG 4.47Å; I192-Y221 HydrophobicContact CD1-CD2 3.74Å; I192-Y221 HydrophobicContact CD1-CE2 3.87Å; I192-Y221 HydrophobicContact CD1-CG 4.12Å; I192-Y221 HydrophobicContact CG1-CD2 3.9Å; I192-Y221 HydrophobicContact CG1-CG 3.89Å; I192-Y221 HydrophobicContact CG2-CD1 3.75Å; I192-Y221 HydrophobicContact CG2-CE1 4.29Å; I192-Y221 HydrophobicContact CG2-CG 3.91Å; D195-Y221 PolarHBondContact OD2-N 3.24Å; Y221-I223 VanDerWaalsContact C-N 3.28Å; Y221-I223 PolarHBondContact O-N 2.77Å; Y221-V224 PolarHBondContact O-N 3Å; Y221-R225 HydrophobicContact CD1-CG 4.03Å; Y221-R225 HydrophobicContact CE1-CG 3.56Å; Y221-R225 HydrophobicContact CE2-CG 4.4Å; Y221-R225 WeakPolarHBondContact O-CG 3.38Å; Y221-R225 PolarHBondContact O-N 2.98Å; Y221-T266 HydrophobicContact CD1-CG2 3.82Å; Y221-T266 HydrophobicContact CE1-CG2 4.29Å; Y221-K269 HydrophobicContact CE1-CB 3.96Å; Y221-K269 HydrophobicContact CE1-CG 4.08Å; Y221-K269 HydrophobicContact CE2-CG 4.27Å; Y221-K269 WeakPolarHBondContact OH-CD 3.37Å; Y221-K269 WeakPolarHBondContact OH-CG 3.14Å
222P98.5Very high97Very high0 Ų028.4 Ų28.40%015%0.148CC..Hα-helixtrans-63.1-34.2177.2-19.932.7000113.1Y196 L199 S220 R225 A226 A262 L263 T266Y196-P222 HydrophobicContact CD2-CG 4.38Å; L199-P222 HydrophobicContact CD1-CB 3.72Å; L199-P222 HydrophobicContact CD1-CG 3.8Å; S220-P222 VanDerWaalsContact C-CD 3.5Å; P222-R225 PolarHBondContact O-N 3.23Å; P222-A226 WeakPolarHBondContact O-CB 3.41Å; P222-A226 PolarHBondContact O-N 2.81Å; P222-A262 WeakPolarHBondContact O-CB 3.31Å; P222-L263 HydrophobicContact CB-CD2 3.96Å; P222-T266 HydrophobicContact CG-CG2 4.06Å
223I98.6Very high97Very high0 Ų029.8 Ų29.80%016%0.155CC..Hα-helixtrans-69.5-44.2176.8-63.8170.9000109.9D213 L214 K218 F219 S220 Y221 R225 A226 I227 V236 L240 M257D213-I223 HydrophobicContact CB-CD1 4.42Å; L214-I223 HydrophobicContact CD2-CD1 3.76Å; L214-I223 HydrophobicContact CD2-CG1 4.46Å; K218-I223 WeakPolarHBondContact O-CD1 3.49Å; F219-I223 HydrophobicContact CD1-CG2 4.35Å; S220-I223 WeakPolarHBondContact O-CA 3.36Å; S220-I223 WeakPolarHBondContact O-CB 3.28Å; S220-I223 PolarHBondContact O-N 2.77Å; S220-I223 VanDerWaalsContact OG-CD1 3.31Å; S220-I223 WeakPolarHBondContact OG-CD1 3.31Å; Y221-I223 VanDerWaalsContact C-N 3.28Å; Y221-I223 PolarHBondContact O-N 2.77Å; I223-R225 VanDerWaalsContact C-N 3.29Å; I223-R225 PolarHBondContact O-N 3.18Å; I223-A226 PolarHBondContact O-N 2.96Å; I223-I227 HydrophobicContact CG2-CD1 3.79Å; I223-I227 WeakPolarHBondContact O-CG1 3.29Å; I223-I227 PolarHBondContact O-N 2.6Å; I223-V236 HydrophobicContact CG2-CG1 4.06Å; I223-L240 HydrophobicContact CD1-CD1 4Å; I223-L240 HydrophobicContact CG2-CD1 4.4Å; I223-L240 HydrophobicContact CG2-CD2 3.84Å; I223-M257 HydrophobicContact CG1-CE 4.35Å; I223-M257 HydrophobicContact CG1-SD 3.76Å
224V98.6Very high97Very high0 Ų034.4 Ų34.40%018%0.18CC..Hα-helixtrans-57.8-42.9174.2172.10000111.1P145 Y150 F219 S220 Y221 N228P145-V224 HydrophobicContact CG-CG2 3.94Å; Y150-V224 HydrophobicContact CD2-CG2 4.12Å; F219-V224 HydrophobicContact CB-CG2 3.8Å; F219-V224 VanDerWaalsContact O-CG2 3.31Å; F219-V224 WeakPolarHBondContact O-CG2 3.29Å; S220-V224 PolarHBondContact O-N 2.89Å; Y221-V224 PolarHBondContact O-N 3Å; V224-N228 WeakPolarHBondContact CG1-ND2 3.4Å; V224-N228 WeakPolarHBondContact O-CB 3.48Å; V224-N228 PolarHBondContact O-N 3.41Å; V224-N228 VanDerWaalsContact O-N 3.08Å; V224-N228 PolarHBondContact O-ND2 2.93Å
225R97.9Very high97Very high43 Ų4338 Ų3816%0.16220%0.197CC..Hα-helixtrans-64.8-49.5175.6-70.3-57.5-55.8-1712.6111.5E147 Y221 P222 I223 I227 N228 D229 A262E147-R225 IonicContact OE2-CZ 2.75Å; E147-R225 IonicContact OE2-NH1 2.78Å; E147-R225 PolarHBondContact OE2-NH1 3.44Å; Y221-R225 HydrophobicContact CD1-CG 4.03Å; Y221-R225 HydrophobicContact CE1-CG 3.56Å; Y221-R225 HydrophobicContact CE2-CG 4.4Å; Y221-R225 WeakPolarHBondContact O-CG 3.38Å; Y221-R225 PolarHBondContact O-N 2.98Å; P222-R225 PolarHBondContact O-N 3.23Å; I223-R225 VanDerWaalsContact C-N 3.29Å; I223-R225 PolarHBondContact O-N 3.18Å; R225-I227 VanDerWaalsContact C-N 3.3Å; R225-I227 PolarHBondContact O-N 3.31Å; R225-N228 PolarHBondContact O-N 3.34Å; R225-D229 IonicContact CZ-OD1 2.77Å; R225-D229 VanDerWaalsContact CZ-OD1 3.22Å; R225-D229 IonicContact CZ-OD2 3.61Å; R225-D229 IonicContact NE-OD1 3.79Å; R225-D229 IonicContact NE-OD2 3.92Å; R225-D229 PolarHBondContact NE-OD2 3.04Å; R225-D229 IonicContact NH1-OD1 2.74Å; R225-D229 IonicContact NH2-OD1 3.14Å; R225-D229 PolarHBondContact NH2-OD1 3.37Å; R225-D229 IonicContact NH2-OD2 3.02Å; R225-D229 PolarHBondContact NH2-OD2 3.37Å; R225-D229 WeakPolarHBondContact O-CB 3.42Å; R225-D229 VanDerWaalsContact O-CG 3.22Å; R225-D229 PolarHBondContact O-N 2.87Å; R225-A262 HydrophobicContact CB-CB 4.23Å
226A98.3Very high97.1Very high1 Ų136.5 Ų36.51%0.00819%0.187CC..Hα-helixtrans-57.3-42-179.300000112.6P222 I223 Y230 V236 M257 L260 A262P222-A226 WeakPolarHBondContact O-CB 3.41Å; P222-A226 PolarHBondContact O-N 2.81Å; I223-A226 PolarHBondContact O-N 2.96Å; A226-Y230 WeakPolarHBondContact O-CB 3.41Å; A226-Y230 PolarHBondContact O-N 2.92Å; A226-V236 HydrophobicContact CB-CG1 4.36Å; A226-V236 HydrophobicContact CB-CG2 4.14Å; A226-M257 HydrophobicContact CB-CG 3.89Å; A226-M257 HydrophobicContact CB-SD 4.32Å; A226-L260 HydrophobicContact CB-CD1 4.26Å; A226-A262 HydrophobicContact CB-CB 3.74Å
227I97.9Very high97.2Very high24 Ų2438.1 Ų38.112%0.12320%0.195CC..Hα-helixtrans-75.4-43.7-178.7-65.1168.9000112C144 F219 I223 R225 Y230 V236 M237 L240C144-I227 HydrophobicContact CB-CD1 4.44Å; C144-I227 HydrophobicContact CB-CG2 3.85Å; F219-I227 HydrophobicContact CD1-CD1 4.21Å; F219-I227 HydrophobicContact CE1-CD1 3.81Å; I223-I227 HydrophobicContact CG2-CD1 3.79Å; I223-I227 WeakPolarHBondContact O-CG1 3.29Å; I223-I227 PolarHBondContact O-N 2.6Å; R225-I227 VanDerWaalsContact C-N 3.3Å; R225-I227 PolarHBondContact O-N 3.31Å; I227-Y230 CarbonylContact O-C 3.59Å; I227-V236 HydrophobicContact CD1-CG1 4.28Å; I227-V236 HydrophobicContact CG1-CB 4.25Å; I227-V236 HydrophobicContact CG1-CG1 4.03Å; I227-M237 HydrophobicContact CD1-CB 4.27Å; I227-M237 HydrophobicContact CD1-SD 3.84Å; I227-M237 HydrophobicContact CG1-CB 4.49Å; I227-L240 HydrophobicContact CD1-CD2 4.49Å
228N97.5Very high97.2Very high69 Ų6942.3 Ų42.337%0.36922%0.217SC..Hα-helixtrans-75.6-36.4-176.4-74.9-48.2000113.3P145 V224 R225 Y230P145-N228 PolarHBondContact O-ND2 2.99Å; V224-N228 WeakPolarHBondContact CG1-ND2 3.4Å; V224-N228 WeakPolarHBondContact O-CB 3.48Å; V224-N228 PolarHBondContact O-N 3.41Å; V224-N228 VanDerWaalsContact O-N 3.08Å; V224-N228 PolarHBondContact O-ND2 2.93Å; R225-N228 PolarHBondContact O-N 3.34Å; N228-Y230 VanDerWaalsContact C-N 3.34Å
229D96.9Very high97.2Very high58 Ų5842.3 Ų42.331%0.3122%0.218SC..Hα-helixtrans-77.9-24.1-178.1-64.1-25.5000112R225R225-D229 IonicContact CZ-OD1 2.77Å; R225-D229 VanDerWaalsContact CZ-OD1 3.22Å; R225-D229 IonicContact CZ-OD2 3.61Å; R225-D229 IonicContact NE-OD1 3.79Å; R225-D229 IonicContact NE-OD2 3.92Å; R225-D229 PolarHBondContact NE-OD2 3.04Å; R225-D229 IonicContact NH1-OD1 2.74Å; R225-D229 IonicContact NH2-OD1 3.14Å; R225-D229 PolarHBondContact NH2-OD1 3.37Å; R225-D229 IonicContact NH2-OD2 3.02Å; R225-D229 PolarHBondContact NH2-OD2 3.37Å; R225-D229 WeakPolarHBondContact O-CB 3.42Å; R225-D229 VanDerWaalsContact O-CG 3.22Å; R225-D229 PolarHBondContact O-N 2.87Å
230Y96Very high97.2Very high94 Ų9442.3 Ų42.337%0.36922%0.218SC..  trans-128.965.5-176.8-55.1-84.8000111.2A226 I227 N228 D232 D233 L260A226-Y230 WeakPolarHBondContact O-CB 3.41Å; A226-Y230 PolarHBondContact O-N 2.92Å; I227-Y230 CarbonylContact O-C 3.59Å; N228-Y230 VanDerWaalsContact C-N 3.34Å; Y230-D232 PolarHBondContact O-N 3.3Å; Y230-D232 VanDerWaalsContact O-N 3.13Å; Y230-D233 WeakPolarHBondContact O-CB 3.49Å; Y230-D233 PolarHBondContact O-N 3.43Å; Y230-L260 HydrophobicContact CD1-CD2 3.89Å; Y230-L260 HydrophobicContact CD2-CB 3.87Å; Y230-L260 HydrophobicContact CD2-CD1 4.2Å; Y230-L260 HydrophobicContact CD2-CD2 4.13Å; Y230-L260 HydrophobicContact CD2-CG 4.29Å; Y230-L260 HydrophobicContact CE1-CD2 4.34Å; Y230-L260 HydrophobicContact CE2-CB 3.84Å; Y230-L260 WeakPolarHBondContact CE2-O 3.35Å; Y230-L260 HydrophobicContact CG-CB 4.41Å; Y230-L260 HydrophobicContact CG-CD1 4.37Å; Y230-L260 HydrophobicContact CG-CD2 3.78Å; Y230-L260 HydrophobicContact CG-CG 4.41Å; Y230-L260 PolarHBondContact OH-O 2.98Å
231P93Very high97.1Very high91 Ų9144.4 Ų44.459%0.59123%0.233SC*.THydrogen-bonded Turntrans-65.4-19.1-172.727.2-36.5000114.4D233P231-D233 VanDerWaalsContact C-N 3.3Å
232D94.9Very high97Very high154 Ų15449.8 Ų49.882%0.82426%0.258SS*.THydrogen-bonded Turntrans-80.4-13.5174.5-62.9-41.9000112.4Y230 N234Y230-D232 PolarHBondContact O-N 3.3Å; Y230-D232 VanDerWaalsContact O-N 3.13Å; D232-N234 PolarHBondContact O-N 2.97Å
233D95.2Very high96.8Very high35 Ų3552.9 Ų52.919%0.18727%0.272CS..  trans-88.5104.3174.9-166.1-72.7000111.4Y230 P231 Q235 H256Y230-D233 WeakPolarHBondContact O-CB 3.49Å; Y230-D233 PolarHBondContact O-N 3.43Å; P231-D233 VanDerWaalsContact C-N 3.3Å; D233-Q235 WeakPolarHBondContact OD1-CB 3.31Å; D233-Q235 PolarHBondContact OD1-N 3.37Å; D233-H256 IonicContact OD1-CD2 3.59Å; D233-H256 IonicContact OD1-NE2 3.2Å; D233-H256 PolarHBondContact OD1-NE2 3.48Å; D233-H256 IonicContact OD2-CE1 2.8Å; D233-H256 PolarHBondContact OD2-CE1 3.43Å; D233-H256 IonicContact OD2-NE2 3.78Å; D233-H256 PolarHBondContact OD2-NE2 2.97Å
234N95.7Very high96.7Very high98 Ų9853.6 Ų53.652%0.52428%0.277SS..  trans-88.7-2.9178.6-66.2-73.9000113.2D232 N238D232-N234 PolarHBondContact O-N 2.97Å; N234-N238 WeakPolarHBondContact O-CB 3.49Å; N234-N238 PolarHBondContact O-N 3.21Å; N234-N238 PolarHBondContact O-ND2 3.33Å; N234-N238 VanDerWaalsContact O-ND2 3.17Å
235Q98Very high96.6Very high76 Ų7658.9 Ų58.936%0.35531%0.309SS..Hα-helixtrans-69.2-47.2-170.2-58.9-167.815.100111.6D233 M237 N238 I239 Y252D233-Q235 WeakPolarHBondContact OD1-CB 3.31Å; D233-Q235 PolarHBondContact OD1-N 3.37Å; Q235-M237 VanDerWaalsContact C-N 3.34Å; Q235-M237 PolarHBondContact O-N 2.94Å; Q235-N238 PolarHBondContact O-N 3.43Å; Q235-I239 VanDerWaalsContact O-CG1 3.3Å; Q235-I239 WeakPolarHBondContact O-CG1 3.25Å; Q235-I239 PolarHBondContact O-N 2.91Å; Q235-Y252 VanDerWaalsContact OE1-CE1 3.31Å; Q235-Y252 PolarHBondContact OE1-OH 3.08Å
236V97.8Very high96.4Very high1 Ų160.8 Ų60.81%0.00632%0.322CS..Hα-helixtrans-59.1-48.1179.2-179.20000110.3I223 A226 I227 N238 I239 L240 M257 L260I223-V236 HydrophobicContact CG2-CG1 4.06Å; A226-V236 HydrophobicContact CB-CG1 4.36Å; A226-V236 HydrophobicContact CB-CG2 4.14Å; I227-V236 HydrophobicContact CD1-CG1 4.28Å; I227-V236 HydrophobicContact CG1-CB 4.25Å; I227-V236 HydrophobicContact CG1-CG1 4.03Å; V236-N238 PolarHBondContact O-N 2.98Å; V236-I239 PolarHBondContact O-N 2.68Å; V236-L240 VanDerWaalsContact O-CB 3.29Å; V236-L240 WeakPolarHBondContact O-CB 3.36Å; V236-L240 PolarHBondContact O-N 3.04Å; V236-M257 HydrophobicContact CG1-CG 4.44Å; V236-M257 HydrophobicContact CG1-SD 4.28Å; V236-M257 HydrophobicContact CG2-CG 3.97Å; V236-L260 HydrophobicContact CG2-CD1 4.24Å
237M96.9Very high96.1Very high38 Ų3861.6 Ų61.619%0.18733%0.328CS..Hα-helixtrans-64.1-40.8179.8-171.961.1-174.300112.6F142 F219 I227 Q235 L240 S241F142-M237 HydrophobicContact CB-CE 3.73Å; F142-M237 WeakPolarHBondContact O-CE 3.43Å; F219-M237 HydrophobicContact CE1-SD 3.95Å; F219-M237 HydrophobicContact CZ-CE 4.05Å; F219-M237 HydrophobicContact CZ-SD 4.02Å; I227-M237 HydrophobicContact CD1-CB 4.27Å; I227-M237 HydrophobicContact CD1-SD 3.84Å; I227-M237 HydrophobicContact CG1-CB 4.49Å; Q235-M237 VanDerWaalsContact C-N 3.34Å; Q235-M237 PolarHBondContact O-N 2.94Å; M237-L240 PolarHBondContact O-N 3.43Å; M237-S241 PolarHBondContact O-N 3.49Å; M237-S241 PolarHBondContact O-OG 3.36Å; M237-S241 VanDerWaalsContact O-OG 3.12Å
238N97.7Very high95.9Very high88 Ų8865 Ų6547%0.47135%0.354SS..Hα-helixtrans-69-34.4177.9-74-20.5000112.6N234 Q235 V236 S241 Q242N234-N238 WeakPolarHBondContact O-CB 3.49Å; N234-N238 PolarHBondContact O-N 3.21Å; N234-N238 PolarHBondContact O-ND2 3.33Å; N234-N238 VanDerWaalsContact O-ND2 3.17Å; Q235-N238 PolarHBondContact O-N 3.43Å; V236-N238 PolarHBondContact O-N 2.98Å; N238-S241 PolarHBondContact O-OG 2.86Å; N238-Q242 WeakPolarHBondContact O-CG 3.41Å; N238-Q242 PolarHBondContact O-NE2 3.45Å
239I97.9Very high95.9Very high11 Ų1164 Ų646%0.05635%0.348CS..Hα-helixtrans-73.2-43.2175.4-67.1169.1000110.3Q235 V236 S241 Q242 T244 L249 Y252 C253Q235-I239 VanDerWaalsContact O-CG1 3.3Å; Q235-I239 WeakPolarHBondContact O-CG1 3.25Å; Q235-I239 PolarHBondContact O-N 2.91Å; V236-I239 PolarHBondContact O-N 2.68Å; I239-S241 VanDerWaalsContact C-N 3.33Å; I239-S241 PolarHBondContact O-N 2.97Å; I239-Q242 WeakPolarHBondContact O-CB 3.08Å; I239-Q242 PolarHBondContact O-N 3.03Å; I239-Q242 VanDerWaalsContact O-N 3.16Å; I239-T244 HydrophobicContact CG2-CG2 4.03Å; I239-L249 HydrophobicContact CD1-CD1 3.9Å; I239-L249 HydrophobicContact CD1-CG 4.45Å; I239-L249 HydrophobicContact CG1-CD1 4.06Å; I239-L249 HydrophobicContact CG1-CG 4.34Å; I239-L249 HydrophobicContact CG2-CD2 4.36Å; I239-L249 HydrophobicContact CG2-CG 4.06Å; I239-Y252 HydrophobicContact CD1-CD1 3.83Å; I239-Y252 HydrophobicContact CD1-CE1 4.14Å; I239-C253 HydrophobicContact CD1-CB 3.84Å; I239-C253 HydrophobicContact CG2-CB 4.01Å
240L97.4Very high95.9Very high2 Ų261.4 Ų61.41%0.0133%0.334CS..Hα-helixtrans-57.9-44.9178.8-171.470.4000111.8L214 F219 I223 I227 V236 M237 Q242 H243L214-L240 HydrophobicContact CD2-CD1 3.97Å; F219-L240 HydrophobicContact CD1-CD2 3.82Å; F219-L240 HydrophobicContact CE1-CD2 3.48Å; F219-L240 VanDerWaalsContact CE1-CD2 3.48Å; F219-L240 HydrophobicContact CE2-CD2 4.27Å; F219-L240 HydrophobicContact CG-CD2 4.36Å; F219-L240 HydrophobicContact CZ-CD2 3.74Å; I223-L240 HydrophobicContact CD1-CD1 4Å; I223-L240 HydrophobicContact CG2-CD1 4.4Å; I223-L240 HydrophobicContact CG2-CD2 3.84Å; I227-L240 HydrophobicContact CD1-CD2 4.49Å; V236-L240 VanDerWaalsContact O-CB 3.29Å; V236-L240 WeakPolarHBondContact O-CB 3.36Å; V236-L240 PolarHBondContact O-N 3.04Å; M237-L240 PolarHBondContact O-N 3.43Å; L240-Q242 PolarHBondContact O-N 3.44Å; L240-H243 PolarHBondContact O-N 3.01Å
241S95.9Very high95.8Very high45 Ų4558.2 Ų58.232%0.31532%0.323SS..THydrogen-bonded Turntrans-69.4-12.8-178.9610000114.5M237 N238 I239 H243M237-S241 PolarHBondContact O-N 3.49Å; M237-S241 PolarHBondContact O-OG 3.36Å; M237-S241 VanDerWaalsContact O-OG 3.12Å; N238-S241 PolarHBondContact O-OG 2.86Å; I239-S241 VanDerWaalsContact C-N 3.33Å; I239-S241 PolarHBondContact O-N 2.97Å; S241-H243 VanDerWaalsContact C-N 3.35Å; S241-H243 PolarHBondContact O-CD2 2.55Å
242Q96.4Very high96Very high117 Ų11759.2 Ų59.255%0.54732%0.316SS..THydrogen-bonded Turntrans-83-9.8175.9-72.8171.453.100113.5N238 I239 L240 T244N238-Q242 WeakPolarHBondContact O-CG 3.41Å; N238-Q242 PolarHBondContact O-NE2 3.45Å; I239-Q242 WeakPolarHBondContact O-CB 3.08Å; I239-Q242 PolarHBondContact O-N 3.03Å; I239-Q242 VanDerWaalsContact O-N 3.16Å; L240-Q242 PolarHBondContact O-N 3.44Å; Q242-T244 PolarHBondContact O-N 3.49Å
243H95.3Very high96.1Very high65 Ų6551.9 Ų51.930%0.30128%0.277SS..THydrogen-bonded Turntrans50.441.2-176.5-64.3-80.6000112.3F142 T215 E216 L240 S241 T245F142-H243 AromaticContact CE1-NE2 3.66Å; F142-H243 AromaticContact CZ-NE2 3.81Å; T215-H243 WeakPolarHBondContact O-CA 3.44Å; T215-H243 VanDerWaalsContact O-CB 3.24Å; T215-H243 WeakPolarHBondContact O-CB 3.27Å; T215-H243 PolarHBondContact O-ND1 3.26Å; E216-H243 VanDerWaalsContact C-ND1 3.33Å; E216-H243 PolarHBondContact O-CE1 3.48Å; E216-H243 PolarHBondContact O-ND1 2.94Å; L240-H243 PolarHBondContact O-N 3.01Å; S241-H243 VanDerWaalsContact C-N 3.35Å; S241-H243 PolarHBondContact O-CD2 2.55Å; H243-T245 PolarHBondContact O-N 3.05Å
244T96.3Very high96.2Very high16 Ų1650.2 Ų50.210%0.09827%0.268CS..  trans-66.6136.4-166-172.80000112T215 I239 Q242 N246 L249 K250T215-T244 PolarHBondContact OG1-O 2.87Å; I239-T244 HydrophobicContact CG2-CG2 4.03Å; Q242-T244 PolarHBondContact O-N 3.49Å; T244-N246 WeakPolarHBondContact OG1-CB 3.46Å; T244-N246 PolarHBondContact OG1-N 3.31Å; T244-N246 VanDerWaalsContact OG1-N 3.09Å; T244-L249 HydrophobicContact CG2-CB 4.42Å; T244-L249 HydrophobicContact CG2-CD2 4.02Å; T244-L249 HydrophobicContact CG2-CG 4.24Å; T244-K250 HydrophobicContact CG2-CG 4.08Å; T244-K250 WeakPolarHBondContact O-CE 3.32Å
245T94.9Very high96.3Very high110 Ų11048.6 Ų48.668%0.67526%0.257SS*.  trans-95.7-2.7167.855.60000112T215 H243 S247T215-T245 HydrophobicContact CG2-CG2 3.83Å; H243-T245 PolarHBondContact O-N 3.05Å; T245-S247 PolarHBondContact O-N 3.26Å
246N95.1Very high96.3Very high83 Ų8345.9 Ų45.944%0.44424%0.244SC..  trans-77.1111.4-178-177-56.6000111.2T244 S248 L249 K250T244-N246 WeakPolarHBondContact OG1-CB 3.46Å; T244-N246 PolarHBondContact OG1-N 3.31Å; T244-N246 VanDerWaalsContact OG1-N 3.09Å; N246-S248 VanDerWaalsContact C-N 3.31Å; N246-S248 PolarHBondContact O-N 3.49Å; N246-S248 WeakPolarHBondContact OD1-CA 3.45Å; N246-S248 WeakPolarHBondContact OD1-CB 3.25Å; N246-S248 PolarHBondContact OD1-N 3.21Å; N246-L249 HydrophobicContact CB-CB 4.14Å; N246-L249 PolarHBondContact O-N 2.98Å; N246-L249 VanDerWaalsContact O-N 3.12Å; N246-L249 PolarHBondContact OD1-N 3.01Å; N246-K250 WeakPolarHBondContact O-CG 3.42Å; N246-K250 PolarHBondContact O-N 3.34Å
247S92.4Very high96.3Very high19 Ų1945.9 Ų45.913%0.13324%0.244CC..Hα-helixtrans-64-29.7-176.5-64.30000114.3T245 L251 E325T245-S247 PolarHBondContact O-N 3.26Å; S247-L251 VanDerWaalsContact O-CB 3.3Å; S247-L251 WeakPolarHBondContact O-CB 3.45Å; S247-L251 PolarHBondContact O-N 3.01Å; S247-E325 PolarHBondContact OG-OE2 3.13Å
248S93.9Very high96.3Very high94 Ų9445.5 Ų45.566%0.65724%0.242SC*.Hα-helixtrans-68.4-40.5173.1-51.10000111.9N246 L251 Y252N246-S248 VanDerWaalsContact C-N 3.31Å; N246-S248 PolarHBondContact O-N 3.49Å; N246-S248 WeakPolarHBondContact OD1-CA 3.45Å; N246-S248 WeakPolarHBondContact OD1-CB 3.25Å; N246-S248 PolarHBondContact OD1-N 3.21Å; S248-L251 PolarHBondContact O-N 3.3Å; S248-Y252 WeakPolarHBondContact O-CB 3.3Å; S248-Y252 PolarHBondContact O-N 3.26Å
249L96.1Very high96.3Very high49 Ų4949 Ų4926%0.25726%0.256SS..Hα-helixtrans-70.3-39.2176.9-173.258.9000111.9I239 T244 N246 Y252 C253I239-L249 HydrophobicContact CD1-CD1 3.9Å; I239-L249 HydrophobicContact CD1-CG 4.45Å; I239-L249 HydrophobicContact CG1-CD1 4.06Å; I239-L249 HydrophobicContact CG1-CG 4.34Å; I239-L249 HydrophobicContact CG2-CD2 4.36Å; I239-L249 HydrophobicContact CG2-CG 4.06Å; T244-L249 HydrophobicContact CG2-CB 4.42Å; T244-L249 HydrophobicContact CG2-CD2 4.02Å; T244-L249 HydrophobicContact CG2-CG 4.24Å; N246-L249 HydrophobicContact CB-CB 4.14Å; N246-L249 PolarHBondContact O-N 2.98Å; N246-L249 VanDerWaalsContact O-N 3.12Å; N246-L249 PolarHBondContact OD1-N 3.01Å; L249-Y252 WeakPolarHBondContact O-CB 3.38Å; L249-Y252 PolarHBondContact O-N 2.77Å; L249-C253 PolarHBondContact O-N 2.77Å
250K96.2Very high96.3Very high3 Ų349.5 Ų49.51%0.01326%0.259CS..Hα-helixtrans-58.2-48.7171-69.9177.9175.3-171.80111.4F210 A211 L214 T215 T244 N246 Y252 C253 V254F210-K250 HydrophobicContact CD1-CB 4.19Å; F210-K250 HydrophobicContact CD1-CD 4.21Å; F210-K250 HydrophobicContact CE1-CB 3.69Å; F210-K250 HydrophobicContact CZ-CB 4.35Å; F210-K250 WeakPolarHBondContact O-CD 3.31Å; F210-K250 PolarHBondContact O-NZ 3.32Å; A211-K250 HydrophobicContact CB-CB 4.3Å; A211-K250 HydrophobicContact CB-CD 4.24Å; L214-K250 HydrophobicContact CB-CG 4.38Å; L214-K250 HydrophobicContact CD1-CB 4.07Å; L214-K250 HydrophobicContact CD1-CG 4.17Å; T215-K250 WeakPolarHBondContact OG1-CE 3.04Å; T215-K250 PolarHBondContact OG1-NZ 3.44Å; T244-K250 HydrophobicContact CG2-CG 4.08Å; T244-K250 WeakPolarHBondContact O-CE 3.32Å; N246-K250 WeakPolarHBondContact O-CG 3.42Å; N246-K250 PolarHBondContact O-N 3.34Å; K250-Y252 VanDerWaalsContact C-N 3.32Å; K250-Y252 PolarHBondContact O-N 2.78Å; K250-C253 WeakPolarHBondContact O-CB 3.35Å; K250-C253 PolarHBondContact O-N 2.74Å; K250-C253 VanDerWaalsContact O-N 3.14Å; K250-V254 WeakPolarHBondContact O-CG2 3.35Å; K250-V254 PolarHBondContact O-N 2.8Å
251L95.3Very high96.2Very high27 Ų2750.1 Ų50.114%0.14127%0.265CS..Hα-helixtrans-62.2-41.2179.5-178.757.3000111.9F210 S247 S248 C253 V254 K255 L316 Y318F210-L251 HydrophobicContact CE1-CB 4.1Å; F210-L251 HydrophobicContact CZ-CB 4.23Å; F210-L251 HydrophobicContact CZ-CD1 4.21Å; S247-L251 VanDerWaalsContact O-CB 3.3Å; S247-L251 WeakPolarHBondContact O-CB 3.45Å; S247-L251 PolarHBondContact O-N 3.01Å; S248-L251 PolarHBondContact O-N 3.3Å; L251-C253 VanDerWaalsContact C-N 3.35Å; L251-V254 PolarHBondContact O-N 3.27Å; L251-K255 HydrophobicContact CD1-CG 4.39Å; L251-K255 HydrophobicContact CG-CD 4.4Å; L251-K255 WeakPolarHBondContact O-CG 3.29Å; L251-K255 PolarHBondContact O-N 3.09Å; L251-L316 HydrophobicContact CD1-CB 4.32Å; L251-L316 WeakPolarHBondContact CD1-O 3.49Å; L251-Y318 HydrophobicContact CD1-CD2 3.75Å; L251-Y318 HydrophobicContact CD1-CE2 4.22Å
252Y96.5Very high96.3Very high112 Ų11248 Ų4844%0.43925%0.25SC..Hα-helixtrans-56.4-48.9172.2175.5-88.5000111.2Q235 I239 S248 L249 K250 V254 K255 H256Q235-Y252 VanDerWaalsContact OE1-CE1 3.31Å; Q235-Y252 PolarHBondContact OE1-OH 3.08Å; I239-Y252 HydrophobicContact CD1-CD1 3.83Å; I239-Y252 HydrophobicContact CD1-CE1 4.14Å; S248-Y252 WeakPolarHBondContact O-CB 3.3Å; S248-Y252 PolarHBondContact O-N 3.26Å; L249-Y252 WeakPolarHBondContact O-CB 3.38Å; L249-Y252 PolarHBondContact O-N 2.77Å; K250-Y252 VanDerWaalsContact C-N 3.32Å; K250-Y252 PolarHBondContact O-N 2.78Å; Y252-V254 PolarHBondContact O-N 3.16Å; Y252-K255 PolarHBondContact O-N 3.45Å; Y252-H256 WeakPolarHBondContact O-CB 3.4Å; Y252-H256 PolarHBondContact O-N 2.86Å
253C98Very high96.4Very high0 Ų042.4 Ų42.40%022%0.224CC..Hα-helixtrans-60.8-41.3178.6-166.60000112.6L214 I239 L249 K250 L251 H256 M257L214-C253 HydrophobicContact CD1-CB 3.85Å; I239-C253 HydrophobicContact CD1-CB 3.84Å; I239-C253 HydrophobicContact CG2-CB 4.01Å; L249-C253 PolarHBondContact O-N 2.77Å; K250-C253 WeakPolarHBondContact O-CB 3.35Å; K250-C253 PolarHBondContact O-N 2.74Å; K250-C253 VanDerWaalsContact O-N 3.14Å; L251-C253 VanDerWaalsContact C-N 3.35Å; C253-H256 PolarHBondContact O-N 2.87Å; C253-M257 WeakPolarHBondContact O-CG 3.33Å; C253-M257 PolarHBondContact O-N 3.43Å
254V97.5Very high96.6Very high0 Ų044 Ų440%023%0.232CC..Hα-helixtrans-66.6-40.6177.4178.10000111.5L199 F210 A211 L214 K250 L251 Y252 H256 M257 L258 L263 L316L199-V254 HydrophobicContact CB-CG2 4.35Å; L199-V254 HydrophobicContact CD2-CG2 4.32Å; F210-V254 HydrophobicContact CZ-CG2 4.36Å; A211-V254 HydrophobicContact CB-CG2 4.35Å; L214-V254 HydrophobicContact CD1-CG2 4.39Å; K250-V254 WeakPolarHBondContact O-CG2 3.35Å; K250-V254 PolarHBondContact O-N 2.8Å; L251-V254 PolarHBondContact O-N 3.27Å; Y252-V254 PolarHBondContact O-N 3.16Å; V254-H256 VanDerWaalsContact C-N 3.34Å; V254-M257 HydrophobicContact CB-CE 4.44Å; V254-M257 HydrophobicContact CG2-CE 4.07Å; V254-M257 PolarHBondContact O-N 3.15Å; V254-L258 PolarHBondContact O-N 3.31Å; V254-L263 HydrophobicContact CG1-CD1 4.24Å; V254-L316 HydrophobicContact CG1-CD1 3.91Å; V254-L316 HydrophobicContact CG1-CD2 3.82Å
255K96.8Very high96.6Very high65 Ų6546.8 Ų46.828%0.28324%0.243SC..Hα-helixtrans-63.6-40.5173.8-74.5-178.6173.6-172.30111.6L251 Y252 L258 E259 L316 N317L251-K255 HydrophobicContact CD1-CG 4.39Å; L251-K255 HydrophobicContact CG-CD 4.4Å; L251-K255 WeakPolarHBondContact O-CG 3.29Å; L251-K255 PolarHBondContact O-N 3.09Å; Y252-K255 PolarHBondContact O-N 3.45Å; K255-L258 VanDerWaalsContact O-CB 3.29Å; K255-L258 WeakPolarHBondContact O-CB 3.46Å; K255-L258 PolarHBondContact O-N 2.93Å; K255-L258 VanDerWaalsContact O-N 3.16Å; K255-E259 PolarHBondContact O-N 3.48Å; K255-L316 HydrophobicContact CG-CB 4.31Å; K255-L316 HydrophobicContact CG-CD1 3.87Å; K255-N317 PolarHBondContact NZ-OD1 3.39Å
256H97.9Very high96.8Very high19 Ų1941.5 Ų41.59%0.08821%0.211CC..Hα-helixtrans-63.1-44.8175.3-170.857000112.1D233 Y252 C253 V254 L258 E259 L260D233-H256 IonicContact OD1-CD2 3.59Å; D233-H256 IonicContact OD1-NE2 3.2Å; D233-H256 PolarHBondContact OD1-NE2 3.48Å; D233-H256 IonicContact OD2-CE1 2.8Å; D233-H256 PolarHBondContact OD2-CE1 3.43Å; D233-H256 IonicContact OD2-NE2 3.78Å; D233-H256 PolarHBondContact OD2-NE2 2.97Å; Y252-H256 WeakPolarHBondContact O-CB 3.4Å; Y252-H256 PolarHBondContact O-N 2.86Å; C253-H256 PolarHBondContact O-N 2.87Å; V254-H256 VanDerWaalsContact C-N 3.34Å; H256-L258 PolarHBondContact O-N 3.17Å; H256-E259 PolarHBondContact O-N 2.9Å; H256-E259 VanDerWaalsContact O-N 3.09Å; H256-L260 WeakPolarHBondContact O-CG 3.31Å; H256-L260 PolarHBondContact O-N 3.02Å
257M98.1Very high97Very high0 Ų037.6 Ų37.60%019%0.19CC..Hα-helixtrans-62.6-28173.5-72.6-173.2-68.800113.4L199 I223 A226 V236 C253 V254 G261 A262 L263L199-M257 HydrophobicContact CD1-CE 3.7Å; L199-M257 HydrophobicContact CD1-SD 4.36Å; L199-M257 HydrophobicContact CD2-CE 4.36Å; I223-M257 HydrophobicContact CG1-CE 4.35Å; I223-M257 HydrophobicContact CG1-SD 3.76Å; A226-M257 HydrophobicContact CB-CG 3.89Å; A226-M257 HydrophobicContact CB-SD 4.32Å; V236-M257 HydrophobicContact CG1-CG 4.44Å; V236-M257 HydrophobicContact CG1-SD 4.28Å; V236-M257 HydrophobicContact CG2-CG 3.97Å; C253-M257 WeakPolarHBondContact O-CG 3.33Å; C253-M257 PolarHBondContact O-N 3.43Å; V254-M257 HydrophobicContact CB-CE 4.44Å; V254-M257 HydrophobicContact CG2-CE 4.07Å; V254-M257 PolarHBondContact O-N 3.15Å; M257-G261 PolarHBondContact O-N 3.25Å; M257-A262 HydrophobicContact CB-CB 4.47Å; M257-A262 PolarHBondContact O-N 3.41Å; M257-L263 HydrophobicContact CB-CD2 4.46Å; M257-L263 HydrophobicContact CB-CG 4.43Å
258L97.2Very high97.3Very high30 Ų3039.8 Ų39.816%0.15720%0.2CC..Hα-helixtrans-68.8-44.8171.3177.961.4000111.2V254 K255 H256 L260 G261 L263 I311 P313 L316V254-L258 PolarHBondContact O-N 3.31Å; K255-L258 VanDerWaalsContact O-CB 3.29Å; K255-L258 WeakPolarHBondContact O-CB 3.46Å; K255-L258 PolarHBondContact O-N 2.93Å; K255-L258 VanDerWaalsContact O-N 3.16Å; H256-L258 PolarHBondContact O-N 3.17Å; L258-L260 VanDerWaalsContact C-N 3.35Å; L258-G261 WeakPolarHBondContact O-CA 3.41Å; L258-G261 PolarHBondContact O-N 2.87Å; L258-L263 HydrophobicContact CB-CD1 3.84Å; L258-L263 HydrophobicContact CB-CG 4.44Å; L258-L263 HydrophobicContact CD1-CB 4.32Å; L258-L263 HydrophobicContact CD1-CD1 4.18Å; L258-I311 VanDerWaalsContact CD1-O 3.24Å; L258-I311 WeakPolarHBondContact CD1-O 3.2Å; L258-P313 HydrophobicContact CD2-CB 4.48Å; L258-P313 HydrophobicContact CD2-CG 3.88Å; L258-L316 HydrophobicContact CB-CD1 4.29Å; L258-L316 HydrophobicContact CD2-CD1 3.77Å
259E97Very high97.5Very high161 Ų16136.8 Ų36.875%0.75218%0.175SC*.Hα-helixtrans-65.1-37.2178.4-70.4174.3-171.200112.4K255 H256 G261K255-E259 PolarHBondContact O-N 3.48Å; H256-E259 PolarHBondContact O-N 2.9Å; H256-E259 VanDerWaalsContact O-N 3.09Å; E259-G261 PolarHBondContact O-N 3.28Å
260L97.2Very high97.6Very high23 Ų2334.5 Ų34.512%0.1216%0.163CC..THydrogen-bonded Turntrans-68.7-10.2170-64.7178.7000112.7A226 Y230 V236 H256 L258 A262A226-L260 HydrophobicContact CB-CD1 4.26Å; Y230-L260 HydrophobicContact CD1-CD2 3.89Å; Y230-L260 HydrophobicContact CD2-CB 3.87Å; Y230-L260 HydrophobicContact CD2-CD1 4.2Å; Y230-L260 HydrophobicContact CD2-CD2 4.13Å; Y230-L260 HydrophobicContact CD2-CG 4.29Å; Y230-L260 HydrophobicContact CE1-CD2 4.34Å; Y230-L260 HydrophobicContact CE2-CB 3.84Å; Y230-L260 WeakPolarHBondContact CE2-O 3.35Å; Y230-L260 HydrophobicContact CG-CB 4.41Å; Y230-L260 HydrophobicContact CG-CD1 4.37Å; Y230-L260 HydrophobicContact CG-CD2 3.78Å; Y230-L260 HydrophobicContact CG-CG 4.41Å; Y230-L260 PolarHBondContact OH-O 2.98Å; V236-L260 HydrophobicContact CG2-CD1 4.24Å; H256-L260 WeakPolarHBondContact O-CG 3.31Å; H256-L260 PolarHBondContact O-N 3.02Å; L258-L260 VanDerWaalsContact C-N 3.35Å; L260-A262 VanDerWaalsContact C-N 3.26Å; L260-A262 PolarHBondContact O-N 3.01Å
261G97.1Very high97.7Very high14 Ų1435 Ų3514%0.14417%0.168CC..THydrogen-bonded Turntrans75.46.8-178.700000115M257 L258 E259 L263 E264 Q265M257-G261 PolarHBondContact O-N 3.25Å; L258-G261 WeakPolarHBondContact O-CA 3.41Å; L258-G261 PolarHBondContact O-N 2.87Å; E259-G261 PolarHBondContact O-N 3.28Å; G261-L263 VanDerWaalsContact C-N 3.29Å; G261-L263 PolarHBondContact O-N 3.21Å; G261-E264 WeakPolarHBondContact O-CB 3.49Å; G261-E264 PolarHBondContact O-N 3.41Å; G261-E264 VanDerWaalsContact O-N 3.11Å; G261-Q265 WeakPolarHBondContact O-CG 3.2Å; G261-Q265 PolarHBondContact O-N 2.95Å
262A98Very high97.9Very high0 Ų040.8 Ų40.80%019%0.192CC..Hα-helixtrans-63.3-34.9178.900000112.5P222 R225 A226 M257 L260 T266P222-A262 WeakPolarHBondContact O-CB 3.31Å; R225-A262 HydrophobicContact CB-CB 4.23Å; A226-A262 HydrophobicContact CB-CB 3.74Å; M257-A262 HydrophobicContact CB-CB 4.47Å; M257-A262 PolarHBondContact O-N 3.41Å; L260-A262 VanDerWaalsContact C-N 3.26Å; L260-A262 PolarHBondContact O-N 3.01Å; A262-T266 PolarHBondContact O-N 2.89Å; A262-T266 PolarHBondContact O-OG1 2.83Å
263L98.1Very high98Very high1 Ų136 Ų361%0.00517%0.174CC..Hα-helixtrans-66.7-37174-60.1-169.7000112Y196 L199 V200 P222 V254 M257 L258 G261 T266 V267 I311Y196-L263 HydrophobicContact CD2-CD2 4.49Å; Y196-L263 HydrophobicContact CE2-CB 4.11Å; Y196-L263 HydrophobicContact CE2-CD2 4.19Å; L199-L263 HydrophobicContact CD1-CD2 4.35Å; V200-L263 HydrophobicContact CG1-CD1 3.92Å; V200-L263 HydrophobicContact CG1-CD2 4.3Å; P222-L263 HydrophobicContact CB-CD2 3.96Å; V254-L263 HydrophobicContact CG1-CD1 4.24Å; M257-L263 HydrophobicContact CB-CD2 4.46Å; M257-L263 HydrophobicContact CB-CG 4.43Å; L258-L263 HydrophobicContact CB-CD1 3.84Å; L258-L263 HydrophobicContact CB-CG 4.44Å; L258-L263 HydrophobicContact CD1-CB 4.32Å; L258-L263 HydrophobicContact CD1-CD1 4.18Å; G261-L263 VanDerWaalsContact C-N 3.29Å; G261-L263 PolarHBondContact O-N 3.21Å; L263-T266 PolarHBondContact O-N 3.16Å; L263-V267 PolarHBondContact O-N 3.21Å; L263-I311 HydrophobicContact CD1-CG2 4.46Å
264E98Very high98Very high98 Ų9836.8 Ų36.846%0.45818%0.178SC..Hα-helixtrans-67.2-47175.7-177179.1172.500111.1G261 T266 V267 L268 F310G261-E264 WeakPolarHBondContact O-CB 3.49Å; G261-E264 PolarHBondContact O-N 3.41Å; G261-E264 VanDerWaalsContact O-N 3.11Å; E264-T266 PolarHBondContact O-N 3.05Å; E264-V267 WeakPolarHBondContact O-CB 3.28Å; E264-V267 PolarHBondContact O-N 3.21Å; E264-L268 WeakPolarHBondContact O-CG 3.33Å; E264-L268 PolarHBondContact O-N 3.2Å; E264-F310 HydrophobicContact CB-CD1 4.3Å; E264-F310 HydrophobicContact CG-CD1 3.74Å; E264-F310 HydrophobicContact CG-CE1 3.62Å; E264-F310 HydrophobicContact CG-CZ 4.49Å
265Q98.2Very high98Very high74 Ų7442.1 Ų42.135%0.34620%0.203SC..Hα-helixtrans-59-33.9175.8-66.5-55.5-3800112.3G261 L268 K269G261-Q265 WeakPolarHBondContact O-CG 3.2Å; G261-Q265 PolarHBondContact O-N 2.95Å; Q265-L268 PolarHBondContact O-N 2.74Å; Q265-K269 WeakPolarHBondContact O-CB 3.28Å; Q265-K269 PolarHBondContact O-N 3.24Å
266T98.6Very high98.1Very high0 Ų045.2 Ų45.20%021%0.212CC..Hα-helixtrans-64.7-44.5174.3-56.50000112.1I192 Y196 Y221 P222 A262 L263 E264 L268 K269 L270I192-T266 HydrophobicContact CG2-CG2 3.79Å; Y196-T266 HydrophobicContact CD2-CG2 3.63Å; Y196-T266 HydrophobicContact CE2-CG2 4.44Å; Y196-T266 HydrophobicContact CG-CG2 3.88Å; Y221-T266 HydrophobicContact CD1-CG2 3.82Å; Y221-T266 HydrophobicContact CE1-CG2 4.29Å; P222-T266 HydrophobicContact CG-CG2 4.06Å; A262-T266 PolarHBondContact O-N 2.89Å; A262-T266 PolarHBondContact O-OG1 2.83Å; L263-T266 PolarHBondContact O-N 3.16Å; E264-T266 PolarHBondContact O-N 3.05Å; T266-L268 VanDerWaalsContact C-N 3.34Å; T266-L268 PolarHBondContact O-N 2.84Å; T266-K269 WeakPolarHBondContact O-CB 3.43Å; T266-K269 PolarHBondContact O-N 2.62Å; T266-L270 HydrophobicContact CG2-CD1 4.35Å; T266-L270 WeakPolarHBondContact O-CG 3.44Å; T266-L270 PolarHBondContact O-N 2.7Å
267V98.7Very high98.1Very high0 Ų044.3 Ų44.30%021%0.208CC..Hα-helixtrans-61.3-42.4175.2168.50000111.4Y196 L263 E264 K269 L270 A271 H301 L308 F310Y196-V267 HydrophobicContact CE1-CG2 3.87Å; Y196-V267 HydrophobicContact CE2-CG2 4.22Å; Y196-V267 VanDerWaalsContact OH-CG2 3.31Å; Y196-V267 WeakPolarHBondContact OH-CG2 3.43Å; L263-V267 PolarHBondContact O-N 3.21Å; E264-V267 WeakPolarHBondContact O-CB 3.28Å; E264-V267 PolarHBondContact O-N 3.21Å; V267-K269 VanDerWaalsContact C-N 3.34Å; V267-K269 PolarHBondContact O-N 3.37Å; V267-L270 PolarHBondContact O-N 3.29Å; V267-A271 PolarHBondContact O-N 3.48Å; V267-H301 HydrophobicContact CG1-CB 4.22Å; V267-H301 HydrophobicContact CG2-CB 4.39Å; V267-L308 HydrophobicContact CG1-CB 4.28Å; V267-L308 HydrophobicContact CG1-CD2 4.42Å; V267-F310 HydrophobicContact CB-CD1 3.83Å; V267-F310 HydrophobicContact CB-CE1 3.72Å; V267-F310 HydrophobicContact CG1-CD1 3.69Å; V267-F310 HydrophobicContact CG1-CE1 3.39Å; V267-F310 HydrophobicContact CG1-CZ 4.04Å; V267-F310 HydrophobicContact CG2-CD1 4.18Å
268L98.6Very high98.1Very high66 Ų6646.8 Ų46.835%0.34623%0.226SC..Hα-helixtrans-63.5-39.9176.5-64.5176.9000111.9E264 Q265 T266 A271 K272 L308 F310E264-L268 WeakPolarHBondContact O-CG 3.33Å; E264-L268 PolarHBondContact O-N 3.2Å; Q265-L268 PolarHBondContact O-N 2.74Å; T266-L268 VanDerWaalsContact C-N 3.34Å; T266-L268 PolarHBondContact O-N 2.84Å; L268-A271 PolarHBondContact O-N 3.27Å; L268-K272 PolarHBondContact O-N 2.97Å; L268-K272 VanDerWaalsContact O-N 3.09Å; L268-L308 HydrophobicContact CD2-CD1 3.99Å; L268-F310 HydrophobicContact CD2-CE1 4.29Å; L268-F310 HydrophobicContact CD2-CZ 4.1Å; L268-F310 HydrophobicContact CG-CE1 4.43Å
269K98.5Very high98.2Very high31 Ų3150.7 Ų50.714%0.13524%0.243CC..Hα-helixtrans-63-45.2174.5-175.768.3170.9-149.60112E147 E151 I192 Y221 Q265 T266 V267 A271 K272 L273E147-K269 IonicContact OE1-NZ 2.64Å; E147-K269 PolarHBondContact OE1-NZ 3.11Å; E151-K269 WeakPolarHBondContact OE1-CE 3.33Å; E151-K269 IonicContact OE1-NZ 2.8Å; E151-K269 PolarHBondContact OE1-NZ 2.99Å; I192-K269 HydrophobicContact CD1-CG 3.86Å; Y221-K269 HydrophobicContact CE1-CB 3.96Å; Y221-K269 HydrophobicContact CE1-CG 4.08Å; Y221-K269 HydrophobicContact CE2-CG 4.27Å; Y221-K269 WeakPolarHBondContact OH-CD 3.37Å; Y221-K269 WeakPolarHBondContact OH-CG 3.14Å; Q265-K269 WeakPolarHBondContact O-CB 3.28Å; Q265-K269 PolarHBondContact O-N 3.24Å; T266-K269 WeakPolarHBondContact O-CB 3.43Å; T266-K269 PolarHBondContact O-N 2.62Å; V267-K269 VanDerWaalsContact C-N 3.34Å; V267-K269 PolarHBondContact O-N 3.37Å; K269-A271 VanDerWaalsContact C-N 3.34Å; K269-A271 PolarHBondContact O-N 2.94Å; K269-K272 PolarHBondContact O-N 3.05Å; K269-L273 HydrophobicContact CD-CD1 4.43Å; K269-L273 HydrophobicContact CG-CD1 4.03Å; K269-L273 WeakPolarHBondContact O-CG 3.3Å; K269-L273 PolarHBondContact O-N 3.32Å
270L98.7Very high98.3Very high0 Ų044 Ų440%021%0.212CC..Hα-helixtrans-59.2-45176.6-74.4172.1000111.6F189 I192 R193 Y196 T266 V267 K272 L273 E274 H301F189-L270 HydrophobicContact CD2-CD2 3.86Å; F189-L270 HydrophobicContact CE2-CB 4.42Å; F189-L270 HydrophobicContact CE2-CD2 3.99Å; I192-L270 HydrophobicContact CB-CD2 4.06Å; I192-L270 HydrophobicContact CG2-CD2 3.77Å; I192-L270 HydrophobicContact CG2-CG 3.96Å; R193-L270 HydrophobicContact CB-CD2 3.9Å; Y196-L270 HydrophobicContact CD1-CD1 4.09Å; Y196-L270 HydrophobicContact CG-CD1 4.34Å; T266-L270 HydrophobicContact CG2-CD1 4.35Å; T266-L270 WeakPolarHBondContact O-CG 3.44Å; T266-L270 PolarHBondContact O-N 2.7Å; V267-L270 PolarHBondContact O-N 3.29Å; L270-K272 VanDerWaalsContact C-N 3.35Å; L270-K272 PolarHBondContact O-N 3.49Å; L270-L273 PolarHBondContact O-N 2.8Å; L270-E274 WeakPolarHBondContact O-CB 3.45Å; L270-E274 PolarHBondContact O-N 2.97Å; L270-H301 HydrophobicContact CB-CB 4.36Å; L270-H301 HydrophobicContact CD1-CB 4.02Å
271A98.6Very high98.3Very high14 Ų1442.9 Ų42.912%0.11621%0.207CC..Hα-helixtrans-59.7-43.3176.900000112.4V267 L268 K269 E274 E275 L308V267-A271 PolarHBondContact O-N 3.48Å; L268-A271 PolarHBondContact O-N 3.27Å; K269-A271 VanDerWaalsContact C-N 3.34Å; K269-A271 PolarHBondContact O-N 2.94Å; A271-E274 PolarHBondContact O-N 3.12Å; A271-E275 PolarHBondContact O-N 2.86Å; A271-L308 HydrophobicContact CB-CD1 4.3Å; A271-L308 HydrophobicContact CB-CD2 3.58Å
272K98.6Very high98.4Very high149 Ų14947.1 Ų47.165%0.64823%0.229SC*.Hα-helixtrans-65.2-39.5177-175.6177.5-179.5177.80112.3L268 K269 L270 R276L268-K272 PolarHBondContact O-N 2.97Å; L268-K272 VanDerWaalsContact O-N 3.09Å; K269-K272 PolarHBondContact O-N 3.05Å; L270-K272 VanDerWaalsContact C-N 3.35Å; L270-K272 PolarHBondContact O-N 3.49Å; K272-R276 WeakPolarHBondContact O-CB 3.31Å; K272-R276 PolarHBondContact O-N 3.37Å
273L98.6Very high98.4Very high10 Ų1054.2 Ų54.25%0.05226%0.26CS..Hα-helixtrans-71.4-38.5178.3-74.8168.6000112.3L188 F189 I192 K269 L270 R276 C277L188-L273 HydrophobicContact CB-CD1 3.97Å; L188-L273 HydrophobicContact CB-CD2 3.96Å; L188-L273 HydrophobicContact CD1-CD2 4.28Å; F189-L273 HydrophobicContact CB-CB 4.08Å; F189-L273 HydrophobicContact CD2-CB 4.03Å; F189-L273 HydrophobicContact CG-CB 4.49Å; I192-L273 HydrophobicContact CD1-CD1 3.72Å; K269-L273 HydrophobicContact CD-CD1 4.43Å; K269-L273 HydrophobicContact CG-CD1 4.03Å; K269-L273 WeakPolarHBondContact O-CG 3.3Å; K269-L273 PolarHBondContact O-N 3.32Å; L270-L273 PolarHBondContact O-N 2.8Å; L273-R276 PolarHBondContact O-N 2.95Å; L273-C277 PolarHBondContact O-N 2.86Å; L273-C277 PolarHBondContact O-SG 3.22Å
274E98.1Very high98.3Very high17 Ų1756.2 Ų56.28%0.07927%0.268CS..Hα-helixtrans-59.7-47.3172179.1-161.6160.300111.5F189 L270 A271 R276 C277 S278 I294 T298 H301 R302F189-E274 HydrophobicContact CE2-CB 4Å; F189-E274 HydrophobicContact CZ-CB 4.34Å; L270-E274 WeakPolarHBondContact O-CB 3.45Å; L270-E274 PolarHBondContact O-N 2.97Å; A271-E274 PolarHBondContact O-N 3.12Å; E274-R276 VanDerWaalsContact C-N 3.33Å; E274-R276 PolarHBondContact O-N 2.97Å; E274-C277 WeakPolarHBondContact O-CB 3.42Å; E274-C277 PolarHBondContact O-N 3.44Å; E274-S278 PolarHBondContact O-N 3.46Å; E274-S278 PolarHBondContact O-OG 3.47Å; E274-I294 HydrophobicContact CG-CG2 4.17Å; E274-T298 HydrophobicContact CG-CG2 3.77Å; E274-T298 WeakPolarHBondContact OE1-CG2 3.29Å; E274-H301 IonicContact OE2-CD2 2.71Å; E274-H301 IonicContact OE2-CE1 3.85Å; E274-H301 IonicContact OE2-NE2 2.63Å; E274-H301 PolarHBondContact OE2-NE2 2.95Å; E274-R302 VanDerWaalsContact CD-NH2 3.31Å; E274-R302 IonicContact OE1-CZ 2.72Å; E274-R302 IonicContact OE1-NE 3.5Å; E274-R302 PolarHBondContact OE1-NE 2.87Å; E274-R302 IonicContact OE1-NH2 2.82Å; E274-R302 PolarHBondContact OE1-NH2 3.14Å; E274-R302 IonicContact OE2-CZ 3.75Å; E274-R302 IonicContact OE2-NE 2.76Å; E274-R302 PolarHBondContact OE2-NE 3.25Å; E274-R302 IonicContact OE2-NH2 2.63Å; E274-R302 PolarHBondContact OE2-NH2 3.43Å
275E98.2Very high98.2Very high113 Ų11353.3 Ų53.353%0.52826%0.264SS..Hα-helixtrans-60.6-45.2176.2-171.9-174.8178.400110.7A271 C277 S278 Q279A271-E275 PolarHBondContact O-N 2.86Å; E275-C277 VanDerWaalsContact C-N 3.34Å; E275-C277 PolarHBondContact O-N 2.95Å; E275-S278 WeakPolarHBondContact O-CB 3.42Å; E275-S278 PolarHBondContact O-N 3.02Å; E275-S278 VanDerWaalsContact O-N 3.14Å; E275-Q279 HydrophobicContact CG-CG 4.42Å; E275-Q279 WeakPolarHBondContact O-CG 3.19Å; E275-Q279 PolarHBondContact O-N 3.3Å; E275-Q279 PolarHBondContact OE1-NE2 2.98Å
276R98.6Very high98Very high129 Ų12954.9 Ų54.949%0.48728%0.275SS..Hα-helixtrans-59.1-43176-178.8176179.4135-2.9112.3A185 K272 L273 E274 S278 L280A185-R276 HydrophobicContact CB-CG 4.05Å; K272-R276 WeakPolarHBondContact O-CB 3.31Å; K272-R276 PolarHBondContact O-N 3.37Å; L273-R276 PolarHBondContact O-N 2.95Å; E274-R276 VanDerWaalsContact C-N 3.33Å; E274-R276 PolarHBondContact O-N 2.97Å; R276-S278 VanDerWaalsContact C-N 3.33Å; R276-L280 HydrophobicContact CG-CD1 3.91Å; R276-L280 WeakPolarHBondContact O-CB 3.48Å; R276-L280 VanDerWaalsContact O-CG 3.28Å; R276-L280 WeakPolarHBondContact O-CG 3.45Å; R276-L280 PolarHBondContact O-N 3.4Å
277C98.4Very high98Very high0 Ų054.9 Ų54.90%028%0.275CS..Hα-helixtrans-59-47.4174.8-69.20000110.5L273 E274 E275 Q279 L280 I281 I294L273-C277 PolarHBondContact O-N 2.86Å; L273-C277 PolarHBondContact O-SG 3.22Å; E274-C277 WeakPolarHBondContact O-CB 3.42Å; E274-C277 PolarHBondContact O-N 3.44Å; E275-C277 VanDerWaalsContact C-N 3.34Å; E275-C277 PolarHBondContact O-N 2.95Å; C277-Q279 PolarHBondContact O-N 3.34Å; C277-L280 PolarHBondContact O-N 3.43Å; C277-I281 WeakPolarHBondContact O-CD1 3.4Å; C277-I281 VanDerWaalsContact O-CG1 3.22Å; C277-I281 WeakPolarHBondContact O-CG1 3.3Å; C277-I281 PolarHBondContact O-N 2.93Å; C277-I294 HydrophobicContact CB-CD1 4.3Å; C277-I294 HydrophobicContact CB-CG1 4.3Å; C277-I294 HydrophobicContact CB-CG2 4.42Å
278S98Very high97.9Very high52 Ų5258 Ų5836%0.36430%0.296SS..Hα-helixtrans-61.8-45.9-179.4-57.10000112.3E274 E275 R276 L280 I281 V282E274-S278 PolarHBondContact O-N 3.46Å; E274-S278 PolarHBondContact O-OG 3.47Å; E275-S278 WeakPolarHBondContact O-CB 3.42Å; E275-S278 PolarHBondContact O-N 3.02Å; E275-S278 VanDerWaalsContact O-N 3.14Å; R276-S278 VanDerWaalsContact C-N 3.33Å; S278-L280 VanDerWaalsContact C-N 3.34Å; S278-L280 PolarHBondContact O-N 3.42Å; S278-I281 PolarHBondContact O-N 3.03Å; S278-V282 WeakPolarHBondContact O-CG2 3.42Å; S278-V282 PolarHBondContact O-N 2.91Å; S278-V282 VanDerWaalsContact O-N 3.08Å
279Q98.5Very high97.9Very high112 Ų11258.3 Ų58.352%0.52330%0.297SS..Hα-helixtrans-60.9-42176.4-70.4174.3200112E275 C277 V282 K283E275-Q279 HydrophobicContact CG-CG 4.42Å; E275-Q279 WeakPolarHBondContact O-CG 3.19Å; E275-Q279 PolarHBondContact O-N 3.3Å; E275-Q279 PolarHBondContact OE1-NE2 2.98Å; C277-Q279 PolarHBondContact O-N 3.34Å; Q279-V282 PolarHBondContact O-N 3.46Å; Q279-K283 WeakPolarHBondContact O-CB 3.49Å; Q279-K283 PolarHBondContact O-N 2.94Å
280L98.6Very high97.8Very high20 Ų2056.8 Ų56.811%0.10529%0.291CS..Hα-helixtrans-69.6-38.3178.4-72.1169.5000112.1P181 L182 A185 R276 C277 S278 V282 K283 Y284P181-L280 HydrophobicContact CB-CD1 4.33Å; P181-L280 HydrophobicContact CB-CD2 4.25Å; P181-L280 VanDerWaalsContact O-CD1 3.31Å; P181-L280 WeakPolarHBondContact O-CD1 3.47Å; L182-L280 HydrophobicContact CB-CB 4.2Å; L182-L280 HydrophobicContact CB-CD1 4.34Å; L182-L280 HydrophobicContact CD1-CB 3.86Å; A185-L280 HydrophobicContact CB-CD1 4.09Å; R276-L280 HydrophobicContact CG-CD1 3.91Å; R276-L280 WeakPolarHBondContact O-CB 3.48Å; R276-L280 VanDerWaalsContact O-CG 3.28Å; R276-L280 WeakPolarHBondContact O-CG 3.45Å; R276-L280 PolarHBondContact O-N 3.4Å; C277-L280 PolarHBondContact O-N 3.43Å; S278-L280 VanDerWaalsContact C-N 3.34Å; S278-L280 PolarHBondContact O-N 3.42Å; L280-V282 VanDerWaalsContact C-N 3.32Å; L280-V282 PolarHBondContact O-N 2.82Å; L280-K283 HydrophobicContact CD2-CD 4.16Å; L280-K283 WeakPolarHBondContact O-CB 3.49Å; L280-K283 PolarHBondContact O-N 3.06Å; L280-Y284 HydrophobicContact CB-CD2 4.43Å; L280-Y284 HydrophobicContact CB-CE2 4.27Å; L280-Y284 HydrophobicContact CD2-CE2 4.13Å; L280-Y284 WeakPolarHBondContact O-CD2 3.39Å; L280-Y284 PolarHBondContact O-N 3.24Å
281I98.4Very high97.7Very high1 Ų158.9 Ų58.91%0.00531%0.305CS..Hα-helixtrans-58.6-45.6173.5-69.5162.4000110.6W44 L182 C277 S278 Y284 G285 N287 L290 I294W44-I281 HydrophobicContact CZ2-CG2 4.42Å; L182-I281 HydrophobicContact CD1-CG1 4.08Å; L182-I281 HydrophobicContact CD2-CG1 4.41Å; C277-I281 WeakPolarHBondContact O-CD1 3.4Å; C277-I281 VanDerWaalsContact O-CG1 3.22Å; C277-I281 WeakPolarHBondContact O-CG1 3.3Å; C277-I281 PolarHBondContact O-N 2.93Å; S278-I281 PolarHBondContact O-N 3.03Å; I281-Y284 PolarHBondContact O-N 2.89Å; I281-G285 CarbonylContact O-C 3.47Å; I281-G285 PolarHBondContact O-N 3.36Å; I281-N287 HydrophobicContact CG2-CB 4.03Å; I281-L290 HydrophobicContact CD1-CB 4.25Å; I281-L290 HydrophobicContact CD1-CD2 4.24Å; I281-L290 HydrophobicContact CD1-CG 3.83Å; I281-L290 HydrophobicContact CG1-CB 4.47Å; I281-L290 HydrophobicContact CG1-CD2 3.91Å; I281-L290 HydrophobicContact CG1-CG 4.05Å; I281-I294 HydrophobicContact CD1-CG1 4.07Å
282V98Very high97.6Very high102 Ų10262.8 Ų62.862%0.61832%0.321SS*.Hα-helixtrans-63.5-44.9176.2174.10000111S278 Q279 L280 Y284 G285S278-V282 WeakPolarHBondContact O-CG2 3.42Å; S278-V282 PolarHBondContact O-N 2.91Å; S278-V282 VanDerWaalsContact O-N 3.08Å; Q279-V282 PolarHBondContact O-N 3.46Å; L280-V282 VanDerWaalsContact C-N 3.32Å; L280-V282 PolarHBondContact O-N 2.82Å; V282-Y284 VanDerWaalsContact C-N 3.33Å; V282-Y284 PolarHBondContact O-N 3.06Å; V282-G285 PolarHBondContact O-N 3.09Å; V282-G285 VanDerWaalsContact O-N 3.11Å
283K97.8Very high97.4Very high150 Ų15056.4 Ų56.465%0.65230%0.295SS*.Hα-helixtrans-57.1-42179.5178.9-173.6174.7-174.70112.9Q279 L280 G285Q279-K283 WeakPolarHBondContact O-CB 3.49Å; Q279-K283 PolarHBondContact O-N 2.94Å; L280-K283 HydrophobicContact CD2-CD 4.16Å; L280-K283 WeakPolarHBondContact O-CB 3.49Å; L280-K283 PolarHBondContact O-N 3.06Å; K283-G285 PolarHBondContact O-N 2.88Å
284Y97.3Very high97.2Very high43 Ų4356.1 Ų56.117%0.16929%0.293CS..THydrogen-bonded Turntrans-83.25.6-178.6-66.9-60.6000114.1T177 D178 Y179 P181 L182 L280 I281 V282T177-Y284 HydrophobicContact CG2-CD1 3.5Å; T177-Y284 HydrophobicContact CG2-CE1 3.57Å; D178-Y284 PolarHBondContact O-OH 2.88Å; Y179-Y284 HydrophobicContact CD1-CD1 4.33Å; Y179-Y284 HydrophobicContact CD1-CD2 4.01Å; Y179-Y284 HydrophobicContact CD1-CE2 4.31Å; Y179-Y284 HydrophobicContact CD1-CG 4.03Å; Y179-Y284 HydrophobicContact CE1-CD1 4.14Å; Y179-Y284 HydrophobicContact CE1-CD2 4.22Å; Y179-Y284 AromaticContact CE1-CG 3.82Å; Y179-Y284 HydrophobicContact CE1-CG 3.82Å; P181-Y284 WeakPolarHBondContact CD-OH 3.46Å; P181-Y284 WeakPolarHBondContact CG-OH 3.3Å; L182-Y284 HydrophobicContact CB-CD2 4.26Å; L182-Y284 HydrophobicContact CB-CE2 3.86Å; L182-Y284 HydrophobicContact CD2-CD2 4.07Å; L182-Y284 HydrophobicContact CD2-CE2 4.49Å; L280-Y284 HydrophobicContact CB-CD2 4.43Å; L280-Y284 HydrophobicContact CB-CE2 4.27Å; L280-Y284 HydrophobicContact CD2-CE2 4.13Å; L280-Y284 WeakPolarHBondContact O-CD2 3.39Å; L280-Y284 PolarHBondContact O-N 3.24Å; I281-Y284 PolarHBondContact O-N 2.89Å; V282-Y284 VanDerWaalsContact C-N 3.33Å; V282-Y284 PolarHBondContact O-N 3.06Å
285G95Very high97Very high37 Ų3760.8 Ų60.838%0.38132%0.315SS..  trans93.7120.1-173.200000109.9W44 I281 V282 K283 N287W44-G285 WeakPolarHBondContact CZ2-O 3.1Å; W44-G285 PolarHBondContact NE1-O 3.49Å; I281-G285 CarbonylContact O-C 3.47Å; I281-G285 PolarHBondContact O-N 3.36Å; V282-G285 PolarHBondContact O-N 3.09Å; V282-G285 VanDerWaalsContact O-N 3.11Å; K283-G285 PolarHBondContact O-N 2.88Å; G285-N287 PolarHBondContact O-N 3.2Å
286N94.7Very high96.7Very high106 Ų10661.8 Ų61.857%0.56732%0.317SS*.  trans-44.6136.6-171.7-168.722.4000113.9Y43Y43-N286 WeakPolarHBondContact CE1-O 3.45Å
287N98Very high96.5Very high0 Ų056 Ų560%030%0.296CS..  trans-133.698.2-177.8-174.4-29.1000110.1A40 Y43 W44 I281 G285 L289 L290 S291A40-N287 PolarHBondContact O-ND2 2.98Å; Y43-N287 HydrophobicContact CD1-CB 4.18Å; W44-N287 HydrophobicContact CD2-CB 4.35Å; W44-N287 HydrophobicContact CH2-CB 3.91Å; W44-N287 HydrophobicContact CZ2-CB 3.31Å; I281-N287 HydrophobicContact CG2-CB 4.03Å; G285-N287 PolarHBondContact O-N 3.2Å; N287-L289 VanDerWaalsContact C-N 3.28Å; N287-L289 PolarHBondContact O-N 2.9Å; N287-L289 PolarHBondContact OD1-N 3.33Å; N287-L290 HydrophobicContact CB-CB 4.07Å; N287-L290 PolarHBondContact O-N 3.31Å; N287-L290 PolarHBondContact OD1-N 2.92Å; N287-S291 PolarHBondContact O-N 3.12Å; N287-S291 PolarHBondContact O-OG 3Å
288P97.5Very high96.3Very high67 Ų6756.2 Ų56.244%0.43530%0.297SS..Hα-helixtrans-63.7-34.2-174.124.4-32.9000112.5Y43 E292Y43-P288 HydrophobicContact CE2-CG 4.4Å; P288-E292 WeakPolarHBondContact O-CB 3.4Å; P288-E292 PolarHBondContact O-N 3.49Å
289L97.1Very high96Very high71 Ų7158 Ų5837%0.37230%0.303SS..Hα-helixtrans-66-43.5178.3-62.3-177.5000111.2A40 N287 E292 V293A40-L289 HydrophobicContact CB-CB 3.85Å; N287-L289 VanDerWaalsContact C-N 3.28Å; N287-L289 PolarHBondContact O-N 2.9Å; N287-L289 PolarHBondContact OD1-N 3.33Å; L289-E292 PolarHBondContact O-N 2.92Å; L289-V293 WeakPolarHBondContact O-CG2 3.33Å; L289-V293 PolarHBondContact O-N 3.48Å; L289-V293 VanDerWaalsContact O-N 3.09Å
290L97.1Very high95.8Very high0 Ų053.5 Ų53.50%028%0.282CS..Hα-helixtrans-69.8-41.1179-166.749.8000111.4L37 A40 F41 W44 L182 I186 I281 N287 E292 V293 I294L37-L290 HydrophobicContact CD2-CD1 3.62Å; A40-L290 HydrophobicContact CB-CB 3.93Å; A40-L290 HydrophobicContact CB-CD1 4.08Å; F41-L290 HydrophobicContact CE2-CD2 4.48Å; F41-L290 HydrophobicContact CZ-CD2 4.32Å; W44-L290 HydrophobicContact CH2-CD2 3.84Å; W44-L290 HydrophobicContact CZ3-CD2 3.77Å; L182-L290 HydrophobicContact CD2-CD2 3.77Å; L182-L290 HydrophobicContact CG-CD2 4.48Å; I186-L290 HydrophobicContact CD1-CD1 4.06Å; I186-L290 HydrophobicContact CD1-CD2 4.21Å; I281-L290 HydrophobicContact CD1-CB 4.25Å; I281-L290 HydrophobicContact CD1-CD2 4.24Å; I281-L290 HydrophobicContact CD1-CG 3.83Å; I281-L290 HydrophobicContact CG1-CB 4.47Å; I281-L290 HydrophobicContact CG1-CD2 3.91Å; I281-L290 HydrophobicContact CG1-CG 4.05Å; N287-L290 HydrophobicContact CB-CB 4.07Å; N287-L290 PolarHBondContact O-N 3.31Å; N287-L290 PolarHBondContact OD1-N 2.92Å; L290-E292 VanDerWaalsContact C-N 3.3Å; L290-E292 PolarHBondContact O-N 3.31Å; L290-V293 PolarHBondContact O-N 2.93Å; L290-I294 WeakPolarHBondContact O-CG1 3.33Å; L290-I294 PolarHBondContact O-N 3.08Å
291S97.3Very high95.6Very high44 Ų4452.5 Ų52.531%0.30828%0.277SS..Hα-helixtrans-58.6-41.3174-63.20000111.9N287 I294 Q295N287-S291 PolarHBondContact O-N 3.12Å; N287-S291 PolarHBondContact O-OG 3Å; S291-I294 PolarHBondContact O-N 2.97Å; S291-Q295 WeakPolarHBondContact O-CB 2.97Å; S291-Q295 PolarHBondContact O-N 3.44Å
292E95.3Very high95.6Very high96 Ų9655 Ų5545%0.44929%0.287SS..Hα-helixtrans-63.7-41.6175.8-172.2-173.1164.800112.1P288 L289 L290 Q295 K296P288-E292 WeakPolarHBondContact O-CB 3.4Å; P288-E292 PolarHBondContact O-N 3.49Å; L289-E292 PolarHBondContact O-N 2.92Å; L290-E292 VanDerWaalsContact C-N 3.3Å; L290-E292 PolarHBondContact O-N 3.31Å; E292-Q295 PolarHBondContact O-N 3.26Å; E292-K296 HydrophobicContact CG-CD 4.43Å; E292-K296 WeakPolarHBondContact O-CG 3.39Å; E292-K296 PolarHBondContact O-N 3.4Å; E292-K296 WeakPolarHBondContact OE1-CE 3.46Å; E292-K296 IonicContact OE1-NZ 3.02Å; E292-K296 PolarHBondContact OE1-NZ 3.44Å
293V94.4Very high95.4Very high15 Ų1552.3 Ų52.39%0.09127%0.27CS..Hα-helixtrans-61-46.7175.7171.10000110.8A36 L37 Y190 L289 L290 K296 L297A36-V293 HydrophobicContact CB-CG2 3.69Å; L37-V293 HydrophobicContact CD2-CG1 3.84Å; L37-V293 HydrophobicContact CG-CG1 4.22Å; Y190-V293 WeakPolarHBondContact OH-CG1 3.36Å; L289-V293 WeakPolarHBondContact O-CG2 3.33Å; L289-V293 PolarHBondContact O-N 3.48Å; L289-V293 VanDerWaalsContact O-N 3.09Å; L290-V293 PolarHBondContact O-N 2.93Å; V293-K296 PolarHBondContact O-N 2.9Å; V293-L297 HydrophobicContact CG1-CD1 4.38Å; V293-L297 WeakPolarHBondContact O-CD1 3.42Å; V293-L297 VanDerWaalsContact O-CG 3.3Å; V293-L297 WeakPolarHBondContact O-CG 3.24Å
294I95.4Very high95.1Very high4 Ų451.6 Ų51.62%0.02128%0.281CS..Hα-helixtrans-62.8-47.3177.7-60.9-56.1000110.5I186 F189 E274 C277 I281 L290 S291 K296 L297 T298I186-I294 HydrophobicContact CG1-CD1 4.15Å; F189-I294 HydrophobicContact CD1-CD1 4.39Å; F189-I294 HydrophobicContact CE1-CG2 4.28Å; E274-I294 HydrophobicContact CG-CG2 4.17Å; C277-I294 HydrophobicContact CB-CD1 4.3Å; C277-I294 HydrophobicContact CB-CG1 4.3Å; C277-I294 HydrophobicContact CB-CG2 4.42Å; I281-I294 HydrophobicContact CD1-CG1 4.07Å; L290-I294 WeakPolarHBondContact O-CG1 3.33Å; L290-I294 PolarHBondContact O-N 3.08Å; S291-I294 PolarHBondContact O-N 2.97Å; I294-K296 VanDerWaalsContact C-N 3.3Å; I294-K296 PolarHBondContact O-N 3.05Å; I294-L297 WeakPolarHBondContact O-CB 3.39Å; I294-L297 PolarHBondContact O-N 3.26Å; I294-T298 WeakPolarHBondContact O-CG2 3.4Å; I294-T298 PolarHBondContact O-N 3.38Å
295Q94Very high94.8Very high115 Ų11556 Ų5654%0.53731%0.308SS..Hα-helixtrans-59-39.1-179.4-173.761.857.200112.7S291 E292 L297 T298S291-Q295 WeakPolarHBondContact O-CB 2.97Å; S291-Q295 PolarHBondContact O-N 3.44Å; E292-Q295 PolarHBondContact O-N 3.26Å; Q295-L297 PolarHBondContact O-N 3.28Å; Q295-T298 PolarHBondContact NE2-OG1 3.23Å; Q295-T298 PolarHBondContact O-N 2.87Å; Q295-T298 PolarHBondContact O-OG1 2.64Å
296K92.2Very high94.6Very high133 Ų13355.9 Ų55.958%0.57831%0.306SS*.THydrogen-bonded Turntrans-64.5-17.2177.1-78.2177.2-177.6168.30113.9E292 V293 I294E292-K296 HydrophobicContact CG-CD 4.43Å; E292-K296 WeakPolarHBondContact O-CG 3.39Å; E292-K296 PolarHBondContact O-N 3.4Å; E292-K296 WeakPolarHBondContact OE1-CE 3.46Å; E292-K296 IonicContact OE1-NZ 3.02Å; E292-K296 PolarHBondContact OE1-NZ 3.44Å; V293-K296 PolarHBondContact O-N 2.9Å; I294-K296 VanDerWaalsContact C-N 3.3Å; I294-K296 PolarHBondContact O-N 3.05Å
297L92.8Very high94.7Very high8 Ų857.1 Ų57.14%0.04231%0.308CS..THydrogen-bonded Turntrans-96-10.9-179.3-60.1161.7000112.5I33 F189 Y190 R193 V293 I294 Q295 D299I33-L297 HydrophobicContact CD1-CD2 3.98Å; F189-L297 HydrophobicContact CD1-CD1 4.35Å; F189-L297 HydrophobicContact CE1-CB 3.72Å; F189-L297 HydrophobicContact CE1-CD1 3.89Å; F189-L297 HydrophobicContact CE1-CG 4.5Å; F189-L297 HydrophobicContact CZ-CB 4.13Å; Y190-L297 HydrophobicContact CD1-CD1 4.32Å; Y190-L297 HydrophobicContact CD1-CD2 4.45Å; Y190-L297 HydrophobicContact CE1-CD1 3.51Å; Y190-L297 HydrophobicContact CE1-CD2 3.6Å; Y190-L297 HydrophobicContact CE1-CG 4.18Å; Y190-L297 HydrophobicContact CE2-CD1 3.84Å; Y190-L297 WeakPolarHBondContact OH-CD1 3.47Å; R193-L297 WeakPolarHBondContact CD-O 3.42Å; R193-L297 PolarHBondContact NE-O 3.4Å; V293-L297 HydrophobicContact CG1-CD1 4.38Å; V293-L297 WeakPolarHBondContact O-CD1 3.42Å; V293-L297 VanDerWaalsContact O-CG 3.3Å; V293-L297 WeakPolarHBondContact O-CG 3.24Å; I294-L297 WeakPolarHBondContact O-CB 3.39Å; I294-L297 PolarHBondContact O-N 3.26Å; Q295-L297 PolarHBondContact O-N 3.28Å; L297-D299 PolarHBondContact O-N 2.97Å
298T95.1Very high94.7Very high4 Ų459.7 Ų59.73%0.02532%0.321CS..G310 helixtrans-78.1-13.3-177.367.20000112.9F189 E274 I294 Q295 L300 H301 R302F189-T298 HydrophobicContact CZ-CG2 4.46Å; E274-T298 HydrophobicContact CG-CG2 3.77Å; E274-T298 WeakPolarHBondContact OE1-CG2 3.29Å; I294-T298 WeakPolarHBondContact O-CG2 3.4Å; I294-T298 PolarHBondContact O-N 3.38Å; Q295-T298 PolarHBondContact NE2-OG1 3.23Å; Q295-T298 PolarHBondContact O-N 2.87Å; Q295-T298 PolarHBondContact O-OG1 2.64Å; T298-L300 PolarHBondContact O-N 2.67Å; T298-H301 CarbonylContact O-C 3.58Å; T298-H301 PolarHBondContact O-N 2.8Å; T298-R302 WeakPolarHBondContact O-CB 3.42Å; T298-R302 PolarHBondContact O-N 3.46Å
299D92.4Very high94.6Very high91 Ų9161.8 Ų61.849%0.48732%0.321SS..G310 helixtrans-52.4-24.8177.267-24.8000114.6R193 L297R193-D299 IonicContact CZ-OD1 3.22Å; R193-D299 IonicContact NH2-OD1 2.64Å; R193-D299 PolarHBondContact NH2-OD1 3.44Å; R193-D299 IonicContact NH2-OD2 3.06Å; L297-D299 PolarHBondContact O-N 2.97Å
300L93.1Very high94.5Very high16 Ų1662.2 Ų62.28%0.08432%0.32CS..G310 helixtrans-73.9-36.6177.9-171.867000112.7R193 Y196 A197 D201 T298R193-L300 HydrophobicContact CB-CD2 4.43Å; R193-L300 HydrophobicContact CG-CB 4.35Å; R193-L300 HydrophobicContact CG-CD2 3.39Å; R193-L300 VanDerWaalsContact O-CD2 3.25Å; R193-L300 WeakPolarHBondContact O-CD2 3.44Å; Y196-L300 HydrophobicContact CD1-CD1 4.49Å; Y196-L300 HydrophobicContact CD1-CD2 3.7Å; Y196-L300 HydrophobicContact CD1-CG 3.82Å; Y196-L300 HydrophobicContact CE1-CG 4.27Å; Y196-L300 HydrophobicContact CG-CD2 4.49Å; A197-L300 HydrophobicContact CB-CD1 4.23Å; A197-L300 HydrophobicContact CB-CD2 3.79Å; D201-L300 HydrophobicContact CB-CD1 3.85Å; T298-L300 PolarHBondContact O-N 2.67Å
301H95.6Very high94.3Very high0 Ų063.1 Ų63.10%033%0.325CS..THydrogen-bonded Turntrans-122.66-17369.4-84.8000113.5F189 V267 L270 E274 T298 L308 R309F189-H301 AromaticContact CE2-CE1 3.55Å; F189-H301 AromaticContact CZ-CE1 3.72Å; V267-H301 HydrophobicContact CG1-CB 4.22Å; V267-H301 HydrophobicContact CG2-CB 4.39Å; L270-H301 HydrophobicContact CB-CB 4.36Å; L270-H301 HydrophobicContact CD1-CB 4.02Å; E274-H301 IonicContact OE2-CD2 2.71Å; E274-H301 IonicContact OE2-CE1 3.85Å; E274-H301 IonicContact OE2-NE2 2.63Å; E274-H301 PolarHBondContact OE2-NE2 2.95Å; T298-H301 CarbonylContact O-C 3.58Å; T298-H301 PolarHBondContact O-N 2.8Å; H301-L308 WeakPolarHBondContact O-CA 3.47Å; H301-R309 PolarHBondContact O-N 3.24Å
302R96.8Very high94.1Very high54 Ų5463.9 Ų63.920%0.20433%0.327CS..BIsolated β-bridgetrans-128.1150.4172.6-65-165.5-178.6-78.3-11.2112.8E274 T298 G306 H307 L308E274-R302 VanDerWaalsContact CD-NH2 3.31Å; E274-R302 IonicContact OE1-CZ 2.72Å; E274-R302 IonicContact OE1-NE 3.5Å; E274-R302 PolarHBondContact OE1-NE 2.87Å; E274-R302 IonicContact OE1-NH2 2.82Å; E274-R302 PolarHBondContact OE1-NH2 3.14Å; E274-R302 IonicContact OE2-CZ 3.75Å; E274-R302 IonicContact OE2-NE 2.76Å; E274-R302 PolarHBondContact OE2-NE 3.25Å; E274-R302 IonicContact OE2-NH2 2.63Å; E274-R302 PolarHBondContact OE2-NH2 3.43Å; T298-R302 WeakPolarHBondContact O-CB 3.42Å; T298-R302 PolarHBondContact O-N 3.46Å; R302-G306 PolarHBondContact NH1-O 3.16Å; R302-H307 CarbonylContact C-O 3.45Å; R302-H307 WeakPolarHBondContact CA-O 3.45Å; R302-L308 HydrophobicContact CG-CD2 4.5Å
303T94.5Very high93.7Very high44 Ų4463.4 Ų63.427%0.2733%0.333SS..  trans-77.5164.2166.568.40000110.5D305 G306 H307 R309T303-D305 PolarHBondContact O-N 3.36Å; T303-D305 VanDerWaalsContact O-N 3.11Å; T303-G306 PolarHBondContact O-N 3.02Å; T303-H307 PolarHBondContact N-O 3.02Å; T303-H307 PolarHBondContact OG1-N 3.39Å; T303-H307 PolarHBondContact OG1-O 3.27Å; T303-R309 HydrophobicContact CG2-CB 4.17Å
304P90.9Very high93.4Very high136 Ų13673 Ų7388%0.88337%0.367SS*.THydrogen-bonded Turntrans-54.6-27.7174.5-2836.9000114.3G306P304-G306 VanDerWaalsContact C-N 3.28Å; P304-G306 PolarHBondContact O-N 2.95Å
305D92.5Very high92.9Very high136 Ų13676.3 Ų76.373%0.72739%0.385SS*.THydrogen-bonded Turntrans-85.60.3179.9-46.9-32.2000112.8T303T303-D305 PolarHBondContact O-N 3.36Å; T303-D305 VanDerWaalsContact O-N 3.11Å
306G90.7Very high92.4Very high34 Ų3470.9 Ų70.935%0.35136%0.359SS..SBendtrans90.2-0.7176.100000115.7R302 T303 P304R302-G306 PolarHBondContact NH1-O 3.16Å; T303-G306 PolarHBondContact O-N 3.02Å; P304-G306 VanDerWaalsContact C-N 3.28Å; P304-G306 PolarHBondContact O-N 2.95Å
307H95.9Very high91.3Very high131 Ų13168.9 Ų68.961%0.60636%0.355SS*.  trans-72.9154.2174.8-61.9-60.9000111.6R302 T303 R309R302-H307 CarbonylContact C-O 3.45Å; R302-H307 WeakPolarHBondContact CA-O 3.45Å; T303-H307 PolarHBondContact N-O 3.02Å; T303-H307 PolarHBondContact OG1-N 3.39Å; T303-H307 PolarHBondContact OG1-O 3.27Å; H307-R309 PolarHBondContact O-N 3.11Å
308L97.8Very high89.8Confident54 Ų5470.2 Ų70.228%0.28336%0.36SS..BIsolated β-bridgetrans-64.9135.4174.2-63.5-178.8000110.6V267 L268 A271 H301 R302 F310V267-L308 HydrophobicContact CG1-CB 4.28Å; V267-L308 HydrophobicContact CG1-CD2 4.42Å; L268-L308 HydrophobicContact CD2-CD1 3.99Å; A271-L308 HydrophobicContact CB-CD1 4.3Å; A271-L308 HydrophobicContact CB-CD2 3.58Å; H301-L308 WeakPolarHBondContact O-CA 3.47Å; R302-L308 HydrophobicContact CG-CD2 4.5Å; L308-F310 HydrophobicContact CB-CD2 4.47Å; L308-F310 HydrophobicContact CB-CE2 3.73Å; L308-F310 HydrophobicContact CB-CZ 3.86Å; L308-F310 HydrophobicContact CD1-CE2 4.42Å; L308-F310 HydrophobicContact CD1-CZ 3.86Å
309R95.8Very high87.7Confident112 Ų11277.5 Ų77.542%0.42340%0.398SS..  trans-103.8114.1175.7-179.1-175.4178.3-175.9-1.5108.8H301 T303 H307H301-R309 PolarHBondContact O-N 3.24Å; T303-R309 HydrophobicContact CG2-CB 4.17Å; H307-R309 PolarHBondContact O-N 3.11Å
310F95.8Very high85.6Confident80 Ų8077.4 Ų77.435%0.35141%0.405SS..  trans-100.7138.8172.3-58.7-77.2000110E264 V267 L268 L308E264-F310 HydrophobicContact CB-CD1 4.3Å; E264-F310 HydrophobicContact CG-CD1 3.74Å; E264-F310 HydrophobicContact CG-CE1 3.62Å; E264-F310 HydrophobicContact CG-CZ 4.49Å; V267-F310 HydrophobicContact CB-CD1 3.83Å; V267-F310 HydrophobicContact CB-CE1 3.72Å; V267-F310 HydrophobicContact CG1-CD1 3.69Å; V267-F310 HydrophobicContact CG1-CE1 3.39Å; V267-F310 HydrophobicContact CG1-CZ 4.04Å; V267-F310 HydrophobicContact CG2-CD1 4.18Å; L268-F310 HydrophobicContact CD2-CE1 4.29Å; L268-F310 HydrophobicContact CD2-CZ 4.1Å; L268-F310 HydrophobicContact CG-CE1 4.43Å; L308-F310 HydrophobicContact CB-CD2 4.47Å; L308-F310 HydrophobicContact CB-CE2 3.73Å; L308-F310 HydrophobicContact CB-CZ 3.86Å; L308-F310 HydrophobicContact CD1-CE2 4.42Å; L308-F310 HydrophobicContact CD1-CZ 3.86Å
311I92.8Very high83.6Confident19 Ų1978.6 Ų78.610%0.09741%0.411CS..  trans-71.1134.8173-70.6-71.6000108.8Y196 V200 L258 L263 D315 L316Y196-I311 WeakPolarHBondContact OH-CG1 3.35Å; V200-I311 HydrophobicContact CB-CD1 4.01Å; V200-I311 HydrophobicContact CB-CG1 3.86Å; V200-I311 HydrophobicContact CG1-CG1 4.11Å; V200-I311 HydrophobicContact CG2-CD1 4.11Å; V200-I311 HydrophobicContact CG2-CG1 3.91Å; L258-I311 VanDerWaalsContact CD1-O 3.24Å; L258-I311 WeakPolarHBondContact CD1-O 3.2Å; L263-I311 HydrophobicContact CD1-CG2 4.46Å; I311-D315 HydrophobicContact CD1-CB 4.02Å; I311-D315 HydrophobicContact CG2-CB 4.18Å; I311-L316 HydrophobicContact CG2-CD1 4.24Å; I311-L316 HydrophobicContact CG2-CD2 3.88Å; I311-L316 HydrophobicContact CG2-CG 3.78Å
312T91.7Very high81.1Confident60 Ų6084.7 Ų84.737%0.36844%0.444SS..  trans-109.6164.9176.2720000110.4R314 D315 L316T312-R314 PolarHBondContact O-N 3.04Å; T312-R314 PolarHBondContact OG1-N 2.92Å; T312-D315 WeakPolarHBondContact CB-OD2 3.21Å; T312-D315 PolarHBondContact N-OD2 3.35Å; T312-D315 WeakPolarHBondContact O-CB 3.44Å; T312-D315 PolarHBondContact O-N 2.97Å; T312-D315 PolarHBondContact OG1-OD2 2.94Å; T312-L316 PolarHBondContact O-N 3.31Å
313P88.1Confident78.5Confident86 Ų8689.9 Ų89.956%0.55847%0.47SS*.THydrogen-bonded Turntrans-56.5-26.5175.4-27.536.2000113.7L258 L316 N317L258-P313 HydrophobicContact CD2-CB 4.48Å; L258-P313 HydrophobicContact CD2-CG 3.88Å; P313-L316 PolarHBondContact O-N 3.35Å; P313-N317 PolarHBondContact O-N 3.17Å
314R86.7Confident75.8Confident217 Ų21794.2 Ų94.282%0.81949%0.492SS*.THydrogen-bonded Turntrans-70.6-35176.6-66.1-178.4-179.1175.40.7112.3T312 L316 N317T312-R314 PolarHBondContact O-N 3.04Å; T312-R314 PolarHBondContact OG1-N 2.92Å; R314-L316 PolarHBondContact O-N 2.91Å; R314-N317 PolarHBondContact O-N 3.42Å
315D86.4Confident73.4Confident73 Ų7391.3 Ų91.339%0.3947%0.466SS..THydrogen-bonded Turntrans-69.2-23.1177.2-59.1-67.5000111.9I311 T312I311-D315 HydrophobicContact CD1-CB 4.02Å; I311-D315 HydrophobicContact CG2-CB 4.18Å; T312-D315 WeakPolarHBondContact CB-OD2 3.21Å; T312-D315 PolarHBondContact N-OD2 3.35Å; T312-D315 WeakPolarHBondContact O-CB 3.44Å; T312-D315 PolarHBondContact O-N 2.97Å; T312-D315 PolarHBondContact OG1-OD2 2.94Å
316L83.2Confident70.5Confident0 Ų091.2 Ų91.20%047%0.465CS..THydrogen-bonded Turntrans-920.2176.4-61.6-179.3000113.7L251 V254 K255 L258 I311 T312 P313 R314 Y318L251-L316 HydrophobicContact CD1-CB 4.32Å; L251-L316 WeakPolarHBondContact CD1-O 3.49Å; V254-L316 HydrophobicContact CG1-CD1 3.91Å; V254-L316 HydrophobicContact CG1-CD2 3.82Å; K255-L316 HydrophobicContact CG-CB 4.31Å; K255-L316 HydrophobicContact CG-CD1 3.87Å; L258-L316 HydrophobicContact CB-CD1 4.29Å; L258-L316 HydrophobicContact CD2-CD1 3.77Å; I311-L316 HydrophobicContact CG2-CD1 4.24Å; I311-L316 HydrophobicContact CG2-CD2 3.88Å; I311-L316 HydrophobicContact CG2-CG 3.78Å; T312-L316 PolarHBondContact O-N 3.31Å; P313-L316 PolarHBondContact O-N 3.35Å; R314-L316 PolarHBondContact O-N 2.91Å; L316-Y318 VanDerWaalsContact C-N 3.25Å; L316-Y318 HydrophobicContact CD2-CE2 4.33Å; L316-Y318 VanDerWaalsContact O-CD2 3.28Å; L316-Y318 WeakPolarHBondContact O-CD2 2.98Å; L316-Y318 PolarHBondContact O-N 2.92Å
317N69.8Low67.6Low92 Ų9294.4 Ų94.449%0.49248%0.481SS..  trans-76.885.2173-82.6-9.3000109.4K255 P313 R314 D319K255-N317 PolarHBondContact NZ-OD1 3.39Å; P313-N317 PolarHBondContact O-N 3.17Å; R314-N317 PolarHBondContact O-N 3.42Å; N317-D319 VanDerWaalsContact C-N 3.25Å; N317-D319 PolarHBondContact O-N 2.63Å
318Y60Low64.5Low36 Ų3694.8 Ų94.814%0.14149%0.486CS..  trans-75.675.5172.4-73.5-87.9000110.1V200 H205 F210 L251 L316 S320 L321V200-Y318 PolarHBondContact O-OH 2.67Å; H205-Y318 AromaticContact CE1-CZ 3.92Å; H205-Y318 PolarHBondContact CE1-OH 2.72Å; H205-Y318 AromaticContact ND1-CZ 3.91Å; H205-Y318 PolarHBondContact ND1-OH 2.76Å; F210-Y318 HydrophobicContact CE2-CE2 4.17Å; F210-Y318 HydrophobicContact CZ-CE2 4.43Å; L251-Y318 HydrophobicContact CD1-CD2 3.75Å; L251-Y318 HydrophobicContact CD1-CE2 4.22Å; L316-Y318 VanDerWaalsContact C-N 3.25Å; L316-Y318 HydrophobicContact CD2-CE2 4.33Å; L316-Y318 VanDerWaalsContact O-CD2 3.28Å; L316-Y318 WeakPolarHBondContact O-CD2 2.98Å; L316-Y318 PolarHBondContact O-N 2.92Å; Y318-S320 PolarHBondContact O-N 2.82Å; Y318-L321 HydrophobicContact CD1-CD1 4.11Å; Y318-L321 HydrophobicContact CD1-CG 4.08Å; Y318-L321 HydrophobicContact CD2-CD1 4.34Å; Y318-L321 HydrophobicContact CG-CD1 3.77Å; Y318-L321 HydrophobicContact CG-CG 4.14Å
319D51Low61.4Low156 Ų15696.7 Ų96.783%0.83451%0.51SS*.THydrogen-bonded Turntrans-63.5-5166.2-73.6-22.5000111.9N317N317-D319 VanDerWaalsContact C-N 3.25Å; N317-D319 PolarHBondContact O-N 2.63Å
320S48Very low58.3Low89 Ų8995.2 Ų95.262%0.62252%0.517SS*.THydrogen-bonded Turntrans-108.8-2.5-171.559.30000116.3Y318 D322Y318-S320 PolarHBondContact O-N 2.82Å; S320-D322 VanDerWaalsContact C-N 3.26Å; S320-D322 PolarHBondContact O-N 3.48Å
321L50.5Low55.1Low42 Ų4294.5 Ų94.522%0.2253%0.532CS..G310 helixtrans-71.7-21.9177.3-79.4166.7000112.8F210 Y318 H323F210-L321 HydrophobicContact CB-CD2 4.36Å; F210-L321 HydrophobicContact CD1-CD1 3.87Å; F210-L321 HydrophobicContact CD1-CD2 4.43Å; F210-L321 HydrophobicContact CE1-CD1 4.01Å; Y318-L321 HydrophobicContact CD1-CD1 4.11Å; Y318-L321 HydrophobicContact CD1-CG 4.08Å; Y318-L321 HydrophobicContact CD2-CD1 4.34Å; Y318-L321 HydrophobicContact CG-CD1 3.77Å; Y318-L321 HydrophobicContact CG-CG 4.14Å; L321-H323 PolarHBondContact O-N 2.91Å
322D44.6Very low52.1Low128 Ų128101.9 Ų101.968%0.68457%0.566SS**G310 helixtrans-71.9-1.6-169.6-127.86.9000115.4S320S320-D322 VanDerWaalsContact C-N 3.26Å; S320-D322 PolarHBondContact O-N 3.48Å
323H40.8Very low49.3Very low162 Ų162106.8 Ų106.875%0.7559%0.588SS**G310 helixtrans-119-10.7-173-71.6-29.9000117.6L321L321-H323 PolarHBondContact O-N 2.91Å
324N38.4Very low46.5Very low136 Ų136109.2 Ų109.273%0.72760%0.597SS**THydrogen-bonded Turntrans-121.2-17.6-174.8-81.2-24.2000117
325E41.2Very low44Very low75 Ų75104.5 Ų104.535%0.3559%0.594SS.*SBendtrans-87.2-17.1-176.7-76.9-177161.800114.7S247 S327S247-E325 PolarHBondContact OG-OE2 3.13Å; E325-S327 PolarHBondContact O-N 3.06Å
326I31Very low41.5Very low134 Ų134107.8 Ų107.869%0.68762%0.616SS**THydrogen-bonded Turntrans-68.9-17.9-178.9-62176.2000112.7
327S29.5Very low39.3Very low100 Ų100112.9 Ų112.970%0.69965%0.652SS**THydrogen-bonded Turntrans-89.4-13.1-172.4-650000116E325E325-S327 PolarHBondContact O-N 3.06Å
328I32Very low37.5Very low139 Ų139121.8 Ų121.871%0.71369%0.686SS**THydrogen-bonded Turntrans-96.7-25.3-175.8-54.4178.3000112.2S330I328-S330 PolarHBondContact O-N 3.09Å
329A32.7Very low36.4Very low95 Ų95126.1 Ų126.179%0.78571%0.713SS**THydrogen-bonded Turntrans-80.7-7.6-175.400000115.1G331A329-G331 PolarHBondContact O-N 2.96Å
330S29.1Very low35.7Very low81 Ų81124.5 Ų124.557%0.56671%0.707SS**THydrogen-bonded Turntrans-94.824.5-174.453.10000114.7I328 H332I328-S330 PolarHBondContact O-N 3.09Å; S330-H332 PolarHBondContact O-N 2.66Å
331G29.7Very low35Very low65 Ų65126.4 Ų126.467%0.6771%0.712SS**  trans-65.976.2167.600000111.9A329 I333A329-G331 PolarHBondContact O-N 2.96Å; G331-I333 PolarHBondContact O-N 2.72Å
332H29.7Very low34.1Very low173 Ų173131.4 Ų131.480%0.80174%0.741SS**  trans-60.3101.6166.3-90.547.7000108.8S330 N334S330-H332 PolarHBondContact O-N 2.66Å; H332-N334 PolarHBondContact O-N 3.02Å
333I32Very low33.4Very low163 Ų163131.6 Ų131.684%0.83674%0.744SS**  trans-69.699.7164.6-59.8171.1000105.9G331 P335G331-I333 PolarHBondContact O-N 2.72Å; I333-P335 WeakPolarHBondContact O-CD 3.41Å
334N29.9Very low32.9Very low138 Ų138129.6 Ų129.674%0.73874%0.744SS**  trans-57.8122.3170.4-97.8-32.5000109H332 V336H332-N334 PolarHBondContact O-N 3.02Å; N334-V336 PolarHBondContact O-N 3.14Å
335P33.9Very low32.5Very low117 Ų117129.1 Ų129.176%0.7675%0.745SS**  trans-68120.8168.626.7-29000108.2I333 S337I333-P335 WeakPolarHBondContact O-CD 3.41Å; P335-S337 PolarHBondContact O-N 3.29Å; P335-S337 VanDerWaalsContact O-N 3.13Å
336V34.7Very low31.8Very low142 Ų142133.3 Ų133.386%0.86178%0.775SS**  trans-54115.8170.5177.10000108.4N334 K338N334-V336 PolarHBondContact O-N 3.14Å; V336-K338 PolarHBondContact O-N 2.76Å
337S36.6Very low31.9Very low107 Ų107133.3 Ų133.375%0.74878%0.783SS**  trans-61.3125.4170.853.60000109.7P335P335-S337 PolarHBondContact O-N 3.29Å; P335-S337 VanDerWaalsContact O-N 3.13Å
338K33.2Very low32.1Very low279 Ų279136.3 Ų136.3100%1.21379%0.79SS**  trans-71.70159.4-88.7-174.1175.6179.70111V336V336-K338 PolarHBondContact O-N 2.76Å

Retrieved 338 of 338 residues in 839.3 ms (Link to these results)

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