A0A3Q0KBG9_SCHMA Loading...

Putative myosin AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KBG9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,178 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
1M28.4Very low66.7Low242 Ų24278.8 Ų78.8100%1.19246%0.456SS*.  052.10-70.1-81.2-170.800110.1G3M1-G3 PolarHBondContact O-N 3.48Å; M1-G3 VanDerWaalsContact O-N 3.15Å
2T34.4Very low68.2Low140 Ų14078.4 Ų78.486%0.85945%0.451SS*.  trans-85.957.7164.8510000107.5N4T2-N4 PolarHBondContact O-N 3.35Å
3G42.1Very low69.4Low55 Ų5573.3 Ų73.357%0.56742%0.421SS*.  trans-63.7126.7167.800000106M1 I5M1-G3 PolarHBondContact O-N 3.48Å; M1-G3 VanDerWaalsContact O-N 3.15Å; G3-I5 VanDerWaalsContact C-N 3.27Å; G3-I5 PolarHBondContact O-N 3.05Å
4N53.4Low69.8Low141 Ų14175.6 Ų75.675%0.75444%0.444SS*.  trans-52.696.6172.2-76.8-10.3000108T2 I6T2-N4 PolarHBondContact O-N 3.35Å; N4-I6 PolarHBondContact O-N 3.46Å
5I65Low70Confident160 Ų16077.1 Ų77.182%0.82146%0.455SS*.  trans-67.9105.1171.6-64173.1000103.6G3 P7G3-I5 VanDerWaalsContact C-N 3.27Å; G3-I5 PolarHBondContact O-N 3.05Å; I5-P7 WeakPolarHBondContact O-CD 3.5Å
6I73.4Confident70.2Confident22 Ų2275.1 Ų75.111%0.11344%0.444CS..  trans-69.7120.6178.5-49.7168.4000106.1N4 A8 S24 N27 K28 R31N4-I6 PolarHBondContact O-N 3.46Å; I6-A8 PolarHBondContact O-N 3.42Å; I6-S24 VanDerWaalsContact CG2-OG 3.24Å; I6-S24 WeakPolarHBondContact CG2-OG 3.28Å; I6-N27 HydrophobicContact CD1-CB 3.47Å; I6-N27 VanDerWaalsContact CD1-CB 3.47Å; I6-N27 HydrophobicContact CG1-CB 4.43Å; I6-K28 HydrophobicContact CB-CG 4.31Å; I6-K28 HydrophobicContact CD1-CG 4.26Å; I6-K28 HydrophobicContact CG2-CD 4.25Å; I6-K28 HydrophobicContact CG2-CG 3.73Å; I6-R31 VanDerWaalsContact CD1-NH1 3.33Å
7P82.2Confident71Confident23 Ų2374.3 Ų74.315%0.14944%0.444CS..  trans-64.7140-171.322.5-31.3000111.6I5 D9 D12 L13 K28I5-P7 WeakPolarHBondContact O-CD 3.5Å; P7-D9 PolarHBondContact O-N 3.1Å; P7-D12 HydrophobicContact CB-CB 3.54Å; P7-D12 HydrophobicContact CG-CB 4.4Å; P7-L13 HydrophobicContact CG-CD2 3.58Å; P7-L13 HydrophobicContact CG-CG 3.97Å; P7-K28 WeakPolarHBondContact O-CE 3.41Å; P7-K28 PolarHBondContact O-NZ 3.32Å
8A87.4Confident71.8Confident41 Ų4173.3 Ų73.334%0.33944%0.438SS..SBendtrans-63.4-30.8175.700000112.6I6 K28 W37 P74I6-A8 PolarHBondContact O-N 3.42Å; A8-K28 PolarHBondContact O-NZ 3.49Å; A8-W37 PolarHBondContact O-N 2.86Å; A8-P74 HydrophobicContact CB-CG 4.35Å
9D89.9Confident72.7Confident10 Ų1073.7 Ų73.75%0.05345%0.445CS..BIsolated β-bridgetrans-119.2130.8-177.8177.86.8000110.1P7 L11 D12 W37 G39 K979P7-D9 PolarHBondContact O-N 3.1Å; D9-L11 PolarHBondContact O-N 3.02Å; D9-L11 VanDerWaalsContact O-N 3.15Å; D9-L11 WeakPolarHBondContact OD1-CG 3.22Å; D9-L11 PolarHBondContact OD1-N 3.04Å; D9-L11 VanDerWaalsContact OD1-N 3.08Å; D9-D12 WeakPolarHBondContact O-CB 3.46Å; D9-D12 PolarHBondContact O-N 3.17Å; D9-W37 WeakPolarHBondContact CA-O 3.35Å; D9-W37 HydrophobicContact CB-CB 3.87Å; D9-G39 PolarHBondContact OD1-N 2.98Å; D9-K979 IonicContact OD2-NZ 3.94Å; D9-K979 PolarHBondContact OD2-NZ 3.01Å
10L90.8Very high73.5Confident4 Ų474.4 Ų74.42%0.02144%0.443CS..G310 helixtrans-61.7-22179.2-68.1179.7000112.9D12 L13 V21 L25 T36 W37 L38 L44 L846L10-D12 PolarHBondContact O-N 2.65Å; L10-L13 HydrophobicContact CD2-CD1 3.94Å; L10-L13 PolarHBondContact O-N 2.84Å; L10-V21 HydrophobicContact CD1-CG1 4.06Å; L10-V21 HydrophobicContact CD2-CG1 4.16Å; L10-L25 HydrophobicContact CD2-CD2 4.48Å; L10-T36 HydrophobicContact CD1-CG2 4.43Å; L10-T36 HydrophobicContact CD2-CG2 3.83Å; L10-T36 HydrophobicContact CG-CG2 3.67Å; L10-W37 PolarHBondContact N-O 3.37Å; L10-L38 HydrophobicContact CB-CD1 4.15Å; L10-L38 HydrophobicContact CD1-CD1 4.5Å; L10-L44 HydrophobicContact CD1-CD1 4.5Å; L10-L44 HydrophobicContact CD1-CD2 3.84Å; L10-L846 HydrophobicContact CB-CD1 3.91Å
11L86.5Confident74.4Confident29 Ų2970.9 Ų70.915%0.15242%0.422CS..G310 helixtrans-64.7-19.2174.2-61.1177.9000113.2D9 L38 G39 L846 L849 R850D9-L11 PolarHBondContact O-N 3.02Å; D9-L11 VanDerWaalsContact O-N 3.15Å; D9-L11 WeakPolarHBondContact OD1-CG 3.22Å; D9-L11 PolarHBondContact OD1-N 3.04Å; D9-L11 VanDerWaalsContact OD1-N 3.08Å; L11-L38 HydrophobicContact CD2-CD1 4.36Å; L11-G39 VanDerWaalsContact CD1-CA 3.49Å; L11-L846 HydrophobicContact CD2-CD1 3.79Å; L11-L849 HydrophobicContact CD2-CB 3.83Å; L11-R850 HydrophobicContact CD2-CG 3.61Å; L11-R850 PolarHBondContact O-NH1 2.76Å
12D84.8Confident77.5Confident74 Ų7459.6 Ų59.640%0.39637%0.367SS..G310 helixtrans-86.1-2.9179.6-69.9-34.4000114.5P7 D9 L10 S14 K979P7-D12 HydrophobicContact CB-CB 3.54Å; P7-D12 HydrophobicContact CG-CB 4.4Å; D9-D12 WeakPolarHBondContact O-CB 3.46Å; D9-D12 PolarHBondContact O-N 3.17Å; L10-D12 PolarHBondContact O-N 2.65Å; D12-S14 PolarHBondContact O-N 2.89Å; D12-K979 VanDerWaalsContact OD1-CD 3.27Å; D12-K979 WeakPolarHBondContact OD1-CD 3.39Å; D12-K979 WeakPolarHBondContact OD1-CE 3.19Å; D12-K979 IonicContact OD1-NZ 2.69Å; D12-K979 PolarHBondContact OD1-NZ 3.21Å; D12-K979 IonicContact OD2-NZ 2.61Å; D12-K979 PolarHBondContact OD2-NZ 2.85Å
13L83.6Confident80.2Confident12 Ų1255.1 Ų55.16%0.06334%0.336CS..  trans-64.4132.4172.8-68.7170000109.8P7 L10 P16 E20 V21 R850P7-L13 HydrophobicContact CG-CD2 3.58Å; P7-L13 HydrophobicContact CG-CG 3.97Å; L10-L13 HydrophobicContact CD2-CD1 3.94Å; L10-L13 PolarHBondContact O-N 2.84Å; L13-P16 HydrophobicContact CB-CB 4.29Å; L13-P16 HydrophobicContact CD1-CB 4.48Å; L13-E20 HydrophobicContact CD2-CG 4.38Å; L13-V21 HydrophobicContact CD1-CB 4.48Å; L13-V21 HydrophobicContact CD1-CG2 3.8Å; L13-R850 PolarHBondContact O-NH1 3.02Å; L13-R850 PolarHBondContact O-NH2 2.85Å
14S74.8Confident82.5Confident106 Ų10652.7 Ų52.774%0.74131%0.31SS*.SBendtrans-62.5-51.2178.9500000111.1D12 R850D12-S14 PolarHBondContact O-N 2.89Å; S14-R850 PolarHBondContact O-NH2 2.98Å
15T73.6Confident84.4Confident98 Ų9846 Ų4660%0.60128%0.275SS*.SBendtrans-126.596.317548.60000110S17T15-S17 PolarHBondContact O-N 3.33Å
16P72.5Confident85.6Confident44 Ų4438.6 Ų38.629%0.28624%0.236SC..  trans-77.861.3-179.335.5-38.6000110.7L13 V21 L846L13-P16 HydrophobicContact CB-CB 4.29Å; L13-P16 HydrophobicContact CD1-CB 4.48Å; P16-V21 HydrophobicContact CB-CG2 4.06Å; P16-L846 HydrophobicContact CB-CD2 3.85Å
17S83.8Confident86.5Confident62 Ų6239.8 Ų39.843%0.43424%0.243SC..  trans-61.2150.7164.175.70000108.6T15 S19 E20 V21T15-S17 PolarHBondContact O-N 3.33Å; S17-S19 PolarHBondContact O-N 3.4Å; S17-S19 VanDerWaalsContact O-N 3.16Å; S17-E20 PolarHBondContact O-N 2.98Å; S17-E20 WeakPolarHBondContact OG-CB 3.27Å; S17-E20 PolarHBondContact OG-N 2.87Å; S17-E20 VanDerWaalsContact OG-N 3.13Å; S17-V21 PolarHBondContact O-N 3.34Å
18V86.5Confident86.9Confident57 Ų5738.8 Ų38.835%0.34524%0.237SC..Hα-helixtrans-51.8-41.6177.7-179.50000110.9V22 Q834 L843V18-V22 VanDerWaalsContact O-CG2 3.24Å; V18-V22 WeakPolarHBondContact O-CG2 3.26Å; V18-V22 PolarHBondContact O-N 2.99Å; V18-V22 VanDerWaalsContact O-N 3.12Å; V18-Q834 HydrophobicContact CG1-CG 3.61Å; V18-L843 HydrophobicContact CG1-CD1 3.9Å; V18-L843 HydrophobicContact CG2-CD1 3.97Å
19S88.3Confident87Confident81 Ų8138.2 Ų38.257%0.56623%0.226SC*.Hα-helixtrans-64.7-38.7177.6-560000113.3S17 Q23S17-S19 PolarHBondContact O-N 3.4Å; S17-S19 VanDerWaalsContact O-N 3.16Å; S19-Q23 VanDerWaalsContact O-CB 3.31Å; S19-Q23 WeakPolarHBondContact O-CB 3.26Å; S19-Q23 PolarHBondContact O-N 3.25Å
20E89.3Confident86.9Confident86 Ų8644.5 Ų44.540%0.40226%0.255SS..Hα-helixtrans-71.6-40.2-180-167.460.8-159.900111.9L13 S17 V22 Q23 S24L13-E20 HydrophobicContact CD2-CG 4.38Å; S17-E20 PolarHBondContact O-N 2.98Å; S17-E20 WeakPolarHBondContact OG-CB 3.27Å; S17-E20 PolarHBondContact OG-N 2.87Å; S17-E20 VanDerWaalsContact OG-N 3.13Å; E20-V22 VanDerWaalsContact C-N 3.35Å; E20-V22 PolarHBondContact O-N 2.79Å; E20-Q23 PolarHBondContact O-N 3.42Å; E20-S24 VanDerWaalsContact O-CB 3.3Å; E20-S24 WeakPolarHBondContact O-CB 3.22Å; E20-S24 PolarHBondContact O-N 3.22Å
21V91.8Very high86.8Confident1 Ų150.9 Ų50.91%0.00628%0.279CS..Hα-helixtrans-59.5-48.3173.9174.90000110.2L10 L13 P16 S17 S24 L25 L837 L843 L846L10-V21 HydrophobicContact CD1-CG1 4.06Å; L10-V21 HydrophobicContact CD2-CG1 4.16Å; L13-V21 HydrophobicContact CD1-CB 4.48Å; L13-V21 HydrophobicContact CD1-CG2 3.8Å; P16-V21 HydrophobicContact CB-CG2 4.06Å; S17-V21 PolarHBondContact O-N 3.34Å; V21-S24 PolarHBondContact O-N 2.86Å; V21-L25 HydrophobicContact CG1-CD1 4.3Å; V21-L25 WeakPolarHBondContact O-CG 3.47Å; V21-L25 PolarHBondContact O-N 3.48Å; V21-L837 HydrophobicContact CG1-CD1 4.09Å; V21-L843 HydrophobicContact CG1-CD2 4.33Å; V21-L846 HydrophobicContact CG2-CD2 3.64Å
22V92.5Very high86.8Confident5 Ų553.1 Ų53.13%0.0330%0.296CS..Hα-helixtrans-61.1-48.2177.2172.30000110.4V18 E20 S24 L25 I26 R830 Q834 L837V18-V22 VanDerWaalsContact O-CG2 3.24Å; V18-V22 WeakPolarHBondContact O-CG2 3.26Å; V18-V22 PolarHBondContact O-N 2.99Å; V18-V22 VanDerWaalsContact O-N 3.12Å; E20-V22 VanDerWaalsContact C-N 3.35Å; E20-V22 PolarHBondContact O-N 2.79Å; V22-S24 VanDerWaalsContact C-N 3.33Å; V22-S24 PolarHBondContact O-N 2.9Å; V22-L25 PolarHBondContact O-N 3.35Å; V22-I26 HydrophobicContact CG1-CD1 3.65Å; V22-I26 HydrophobicContact CG1-CG1 4.32Å; V22-I26 WeakPolarHBondContact O-CG1 3.16Å; V22-I26 PolarHBondContact O-N 2.73Å; V22-R830 HydrophobicContact CG1-CB 4.45Å; V22-Q834 HydrophobicContact CG2-CB 3.94Å; V22-Q834 HydrophobicContact CG2-CG 4.39Å; V22-L837 HydrophobicContact CG2-CD1 3.77Å
23Q91.3Very high86.9Confident47 Ų4754 Ų5422%0.2230%0.298CS..Hα-helixtrans-60.9-40.7179.6-172.462.666.200112.3S19 E20 I26 N27S19-Q23 VanDerWaalsContact O-CB 3.31Å; S19-Q23 WeakPolarHBondContact O-CB 3.26Å; S19-Q23 PolarHBondContact O-N 3.25Å; E20-Q23 PolarHBondContact O-N 3.42Å; Q23-I26 PolarHBondContact O-N 2.71Å; Q23-N27 PolarHBondContact NE2-OD1 3.35Å; Q23-N27 WeakPolarHBondContact O-CB 3.49Å; Q23-N27 PolarHBondContact O-N 3.48Å; Q23-N27 PolarHBondContact O-ND2 3.48Å; Q23-N27 PolarHBondContact O-OD1 3.09Å
24S90.9Very high87.3Confident4 Ų453.7 Ų53.73%0.02830%0.297CS..Hα-helixtrans-60.4-46.6175.7176.60000111.8I6 E20 V21 V22 N27 K28I6-S24 VanDerWaalsContact CG2-OG 3.24Å; I6-S24 WeakPolarHBondContact CG2-OG 3.28Å; E20-S24 VanDerWaalsContact O-CB 3.3Å; E20-S24 WeakPolarHBondContact O-CB 3.22Å; E20-S24 PolarHBondContact O-N 3.22Å; V21-S24 PolarHBondContact O-N 2.86Å; V22-S24 VanDerWaalsContact C-N 3.33Å; V22-S24 PolarHBondContact O-N 2.9Å; S24-N27 PolarHBondContact O-N 2.98Å; S24-K28 WeakPolarHBondContact O-CG 3.26Å; S24-K28 PolarHBondContact O-N 3.5Å; S24-K28 VanDerWaalsContact O-N 3.08Å
25L93.1Very high88.3Confident1 Ų149.1 Ų49.11%0.00526%0.263CS..Hα-helixtrans-65.1-39.7178.7-71.9176.5000112.4L10 V21 V22 K28 Y29 T36 L44 I46 L837L10-L25 HydrophobicContact CD2-CD2 4.48Å; V21-L25 HydrophobicContact CG1-CD1 4.3Å; V21-L25 WeakPolarHBondContact O-CG 3.47Å; V21-L25 PolarHBondContact O-N 3.48Å; V22-L25 PolarHBondContact O-N 3.35Å; L25-K28 PolarHBondContact O-N 2.79Å; L25-Y29 WeakPolarHBondContact O-CB 3.41Å; L25-Y29 PolarHBondContact O-N 3.37Å; L25-T36 HydrophobicContact CD2-CG2 4.09Å; L25-L44 HydrophobicContact CD1-CD2 4.1Å; L25-L44 HydrophobicContact CD2-CD2 4.26Å; L25-I46 HydrophobicContact CB-CD1 4Å; L25-I46 HydrophobicContact CD2-CD1 4.38Å; L25-L837 HydrophobicContact CD1-CD1 3.85Å; L25-L837 HydrophobicContact CD1-CD2 3.99Å; L25-L837 HydrophobicContact CD1-CG 4.48Å
26I91.6Very high89.3Confident3 Ų344.6 Ų44.62%0.01524%0.235CC..Hα-helixtrans-64.6-47.7176.2-65172.9000110.6V22 Q23 K28 Y29 E30 I828 R830 I833V22-I26 HydrophobicContact CG1-CD1 3.65Å; V22-I26 HydrophobicContact CG1-CG1 4.32Å; V22-I26 WeakPolarHBondContact O-CG1 3.16Å; V22-I26 PolarHBondContact O-N 2.73Å; Q23-I26 PolarHBondContact O-N 2.71Å; I26-K28 PolarHBondContact O-N 2.84Å; I26-Y29 WeakPolarHBondContact O-CB 3.33Å; I26-Y29 PolarHBondContact O-N 2.82Å; I26-Y29 VanDerWaalsContact O-N 3.09Å; I26-E30 HydrophobicContact CG2-CG 4.49Å; I26-E30 WeakPolarHBondContact O-CG 3.16Å; I26-E30 PolarHBondContact O-N 3.11Å; I26-I828 HydrophobicContact CB-CG2 4.48Å; I26-I828 HydrophobicContact CD1-CG2 3.86Å; I26-I828 HydrophobicContact CG1-CD1 4.41Å; I26-I828 HydrophobicContact CG1-CG2 3.72Å; I26-I828 HydrophobicContact CG2-CG2 4.08Å; I26-R830 HydrophobicContact CD1-CB 4.2Å; I26-R830 HydrophobicContact CD1-CG 3.54Å; I26-I833 HydrophobicContact CG1-CD1 4.31Å
27N91.2Very high90.3Very high47 Ų4743.6 Ų43.625%0.25123%0.226SC..Hα-helixtrans-59.6-36.4178.8-67.9-13.3000111.9I6 Q23 S24 R31I6-N27 HydrophobicContact CD1-CB 3.47Å; I6-N27 VanDerWaalsContact CD1-CB 3.47Å; I6-N27 HydrophobicContact CG1-CB 4.43Å; Q23-N27 PolarHBondContact NE2-OD1 3.35Å; Q23-N27 WeakPolarHBondContact O-CB 3.49Å; Q23-N27 PolarHBondContact O-N 3.48Å; Q23-N27 PolarHBondContact O-ND2 3.48Å; Q23-N27 PolarHBondContact O-OD1 3.09Å; S24-N27 PolarHBondContact O-N 2.98Å; N27-R31 WeakPolarHBondContact O-CG 3.08Å; N27-R31 PolarHBondContact O-N 2.79Å
28K90.9Very high90.7Very high3 Ų340.7 Ų40.71%0.01321%0.205CC..Hα-helixtrans-68.6-43.9173.3-77.6-170.6176.5-175.20112.5I6 P7 A8 S24 L25 I26 E30 R31 S32 E33 T36I6-K28 HydrophobicContact CB-CG 4.31Å; I6-K28 HydrophobicContact CD1-CG 4.26Å; I6-K28 HydrophobicContact CG2-CD 4.25Å; I6-K28 HydrophobicContact CG2-CG 3.73Å; P7-K28 WeakPolarHBondContact O-CE 3.41Å; P7-K28 PolarHBondContact O-NZ 3.32Å; A8-K28 PolarHBondContact O-NZ 3.49Å; S24-K28 WeakPolarHBondContact O-CG 3.26Å; S24-K28 PolarHBondContact O-N 3.5Å; S24-K28 VanDerWaalsContact O-N 3.08Å; L25-K28 PolarHBondContact O-N 2.79Å; I26-K28 PolarHBondContact O-N 2.84Å; K28-E30 VanDerWaalsContact C-N 3.3Å; K28-E30 PolarHBondContact O-N 3.17Å; K28-R31 CarbonylContact O-C 3.58Å; K28-R31 WeakPolarHBondContact O-CA 3.2Å; K28-R31 WeakPolarHBondContact O-CB 3.26Å; K28-R31 PolarHBondContact O-N 3.01Å; K28-S32 PolarHBondContact O-N 3.5Å; K28-E33 HydrophobicContact CB-CB 4.03Å; K28-E33 WeakPolarHBondContact CB-O 3.28Å; K28-E33 HydrophobicContact CG-CB 4.39Å; K28-E33 WeakPolarHBondContact O-CB 3.23Å; K28-E33 PolarHBondContact O-N 3.45Å; K28-T36 WeakPolarHBondContact CD-OG1 2.97Å; K28-T36 PolarHBondContact NZ-OG1 3.34Å
29Y90Very high90.7Very high29 Ų2938.4 Ų38.411%0.11419%0.193CC..Hα-helixtrans-59.1-42.4177.2-177.1-90.9000112L25 I26 R31 S32 I34 I46 P48 P811 I828L25-Y29 WeakPolarHBondContact O-CB 3.41Å; L25-Y29 PolarHBondContact O-N 3.37Å; I26-Y29 WeakPolarHBondContact O-CB 3.33Å; I26-Y29 PolarHBondContact O-N 2.82Å; I26-Y29 VanDerWaalsContact O-N 3.09Å; Y29-R31 PolarHBondContact O-N 3.49Å; Y29-S32 WeakPolarHBondContact O-CA 3.48Å; Y29-S32 PolarHBondContact O-N 3.35Å; Y29-I34 HydrophobicContact CD2-CG2 4.47Å; Y29-I46 HydrophobicContact CD2-CB 3.99Å; Y29-I46 HydrophobicContact CD2-CG2 3.46Å; Y29-I46 VanDerWaalsContact CD2-CG2 3.46Å; Y29-I46 HydrophobicContact CE2-CB 4.47Å; Y29-I46 HydrophobicContact CE2-CG2 3.66Å; Y29-I46 HydrophobicContact CG-CG2 4.47Å; Y29-P48 PolarHBondContact OH-O 2.91Å; Y29-P811 HydrophobicContact CE2-CB 4.24Å; Y29-I828 HydrophobicContact CD1-CD1 3.14Å; Y29-I828 HydrophobicContact CD1-CG1 3.84Å; Y29-I828 HydrophobicContact CD2-CD1 3.97Å; Y29-I828 HydrophobicContact CE1-CD1 3.68Å; Y29-I828 HydrophobicContact CE1-CG1 3.86Å; Y29-I828 HydrophobicContact CE2-CD1 4.41Å; Y29-I828 HydrophobicContact CG-CD1 3.28Å; Y29-I828 HydrophobicContact CG-CG1 4.32Å
30E87.9Confident90.4Very high141 Ų14138 Ų3866%0.65919%0.188SC*.Hα-helixtrans-60.7-26.4174.3-71.2175.4178.200112.8I26 K28 S32I26-E30 HydrophobicContact CG2-CG 4.49Å; I26-E30 WeakPolarHBondContact O-CG 3.16Å; I26-E30 PolarHBondContact O-N 3.11Å; K28-E30 VanDerWaalsContact C-N 3.3Å; K28-E30 PolarHBondContact O-N 3.17Å; E30-S32 VanDerWaalsContact C-N 3.33Å
31R87.3Confident90.5Very high139 Ų13936.7 Ų36.753%0.52518%0.184SC..THydrogen-bonded Turntrans-88.97.7173.3-65.2177.4-174.8-177.93.7113.8I6 N27 K28 Y29 E33I6-R31 VanDerWaalsContact CD1-NH1 3.33Å; N27-R31 WeakPolarHBondContact O-CG 3.08Å; N27-R31 PolarHBondContact O-N 2.79Å; K28-R31 CarbonylContact O-C 3.58Å; K28-R31 WeakPolarHBondContact O-CA 3.2Å; K28-R31 WeakPolarHBondContact O-CB 3.26Å; K28-R31 PolarHBondContact O-N 3.01Å; Y29-R31 PolarHBondContact O-N 3.49Å; R31-E33 HydrophobicContact CB-CG 4.26Å; R31-E33 PolarHBondContact O-N 2.96Å
32S86.4Confident90.6Very high75 Ų7537 Ų3752%0.52419%0.185SC..THydrogen-bonded Turntrans60.917.6-172.1-550000114.7K28 Y29 E30 I34K28-S32 PolarHBondContact O-N 3.5Å; Y29-S32 WeakPolarHBondContact O-CA 3.48Å; Y29-S32 PolarHBondContact O-N 3.35Å; E30-S32 VanDerWaalsContact C-N 3.33Å; S32-I34 PolarHBondContact O-N 3.45Å
33E88.4Confident90.8Very high94 Ų9436.7 Ų36.744%0.43918%0.183SC..  trans-88.278.9174-67.2177.4-170.600109.9K28 R31 Y35K28-E33 HydrophobicContact CB-CB 4.03Å; K28-E33 WeakPolarHBondContact CB-O 3.28Å; K28-E33 HydrophobicContact CG-CB 4.39Å; K28-E33 WeakPolarHBondContact O-CB 3.23Å; K28-E33 PolarHBondContact O-N 3.45Å; R31-E33 HydrophobicContact CB-CG 4.26Å; R31-E33 PolarHBondContact O-N 2.96Å; E33-Y35 PolarHBondContact O-N 3.41Å
34I91.5Very high91Very high5 Ų534.5 Ų34.53%0.02617%0.173CC..  trans-74.4-5.7-171.862.5170.5000115.2Y29 S32 S45 I46 P48Y29-I34 HydrophobicContact CD2-CG2 4.47Å; S32-I34 PolarHBondContact O-N 3.45Å; I34-S45 CarbonylContact O-C 3.44Å; I34-S45 WeakPolarHBondContact O-CA 3.35Å; I34-I46 VanDerWaalsContact CB-O 3.31Å; I34-I46 WeakPolarHBondContact CB-O 3.39Å; I34-I46 WeakPolarHBondContact CG2-O 3.41Å; I34-I46 PolarHBondContact O-N 3.46Å; I34-P48 HydrophobicContact CD1-CG 4.21Å; I34-P48 HydrophobicContact CG2-CB 4.06Å; I34-P48 HydrophobicContact CG2-CG 4.43Å
35Y94.9Very high91.2Very high10 Ų1034.6 Ų34.64%0.03917%0.174CC..EExtended strand (participates in β ladder)trans-115.1139.9-173.6-66.3-63.7000112.3E33 L43 L44 S45 Y56 P74 H75 V76E33-Y35 PolarHBondContact O-N 3.41Å; Y35-L43 HydrophobicContact CD1-CD2 3.95Å; Y35-L43 HydrophobicContact CD1-CG 4.25Å; Y35-L43 HydrophobicContact CE1-CD2 4.4Å; Y35-L44 VanDerWaalsContact CA-O 3.31Å; Y35-L44 WeakPolarHBondContact CA-O 3.23Å; Y35-S45 WeakPolarHBondContact CE1-OG 3.38Å; Y35-Y56 HydrophobicContact CE2-CE1 4.42Å; Y35-Y56 PolarHBondContact OH-OH 3.4Å; Y35-P74 VanDerWaalsContact CB-O 3.22Å; Y35-P74 WeakPolarHBondContact CB-O 3.25Å; Y35-P74 WeakPolarHBondContact O-CG 3.47Å; Y35-H75 AromaticContact CD2-CD2 3.41Å; Y35-H75 VanDerWaalsContact CD2-CD2 3.41Å; Y35-H75 WeakPolarHBondContact CD2-CD2 3.34Å; Y35-H75 AromaticContact CD2-NE2 3.98Å; Y35-H75 AromaticContact CE2-CD2 3.35Å; Y35-H75 WeakPolarHBondContact CE2-CD2 3.31Å; Y35-H75 AromaticContact CE2-NE2 3.42Å; Y35-H75 WeakPolarHBondContact CE2-NE2 3.43Å; Y35-V76 HydrophobicContact CD1-CG1 4.42Å; Y35-V76 HydrophobicContact CE1-CG1 3.53Å; Y35-V76 WeakPolarHBondContact OH-CG1 3.47Å
36T94.8Very high91.3Very high2 Ų234.7 Ų34.71%0.01217%0.174CC..EExtended strand (participates in β ladder)trans-146133.9177.4-66.40000110.9L10 L25 K28 L44L10-T36 HydrophobicContact CD1-CG2 4.43Å; L10-T36 HydrophobicContact CD2-CG2 3.83Å; L10-T36 HydrophobicContact CG-CG2 3.67Å; L25-T36 HydrophobicContact CD2-CG2 4.09Å; K28-T36 WeakPolarHBondContact CD-OG1 2.97Å; K28-T36 PolarHBondContact NZ-OG1 3.34Å; T36-L44 PolarHBondContact N-O 3.34Å; T36-L44 PolarHBondContact O-N 2.85Å
37W93.9Very high91.3Very high23 Ų2336.3 Ų36.39%0.08718%0.183CC..EExtended strand (participates in β ladder)trans-74.1148.1175.4-72.7124.8000111.8A8 D9 L10 L43 W71 P74 M79A8-W37 PolarHBondContact O-N 2.86Å; D9-W37 WeakPolarHBondContact CA-O 3.35Å; D9-W37 HydrophobicContact CB-CB 3.87Å; L10-W37 PolarHBondContact N-O 3.37Å; W37-L43 HydrophobicContact CD2-CD1 3.95Å; W37-L43 HydrophobicContact CE3-CB 4.13Å; W37-L43 HydrophobicContact CE3-CD1 3.76Å; W37-L43 HydrophobicContact CH2-CD1 4.29Å; W37-L43 HydrophobicContact CZ2-CD1 4.47Å; W37-L43 HydrophobicContact CZ3-CB 3.92Å; W37-L43 HydrophobicContact CZ3-CD1 3.94Å; W37-L43 HydrophobicContact CZ3-CG 4.45Å; W37-W71 PolarHBondContact NE1-O 3.2Å; W37-P74 HydrophobicContact CD2-CB 4.44Å; W37-P74 HydrophobicContact CG-CB 4.05Å; W37-P74 VanDerWaalsContact NE1-CA 3.33Å; W37-M79 HydrophobicContact CH2-CB 4.15Å; W37-M79 HydrophobicContact CH2-SD 4.17Å; W37-M79 HydrophobicContact CZ3-CE 3.91Å; W37-M79 HydrophobicContact CZ3-SD 3.98Å
38L91.8Very high91.2Very high1 Ų135.2 Ų35.21%0.00518%0.178CC..EExtended strand (participates in β ladder)trans-131.289.1163.2174.661.8000107.6L10 L11 I42 L44 L842 A845 L846 L849L10-L38 HydrophobicContact CB-CD1 4.15Å; L10-L38 HydrophobicContact CD1-CD1 4.5Å; L11-L38 HydrophobicContact CD2-CD1 4.36Å; L38-I42 HydrophobicContact CB-CB 4.08Å; L38-I42 HydrophobicContact CB-CG2 4.2Å; L38-I42 HydrophobicContact CD2-CD1 4.19Å; L38-I42 HydrophobicContact CD2-CG2 4.26Å; L38-I42 HydrophobicContact CG-CB 4.44Å; L38-I42 HydrophobicContact CG-CD1 4.37Å; L38-I42 PolarHBondContact N-O 3.42Å; L38-I42 WeakPolarHBondContact O-CB 3.46Å; L38-L44 HydrophobicContact CB-CD1 3.69Å; L38-L44 HydrophobicContact CD2-CD1 4.33Å; L38-L842 HydrophobicContact CD2-CD2 3.61Å; L38-A845 HydrophobicContact CD2-CB 4.23Å; L38-L846 HydrophobicContact CD1-CB 3.88Å; L38-L846 HydrophobicContact CD1-CD1 3.5Å; L38-L846 HydrophobicContact CD1-CG 4.28Å; L38-L849 HydrophobicContact CD1-CD1 4.35Å; L38-L849 HydrophobicContact CG-CD1 4.08Å
39G86.8Confident90.8Very high9 Ų940 Ų409%0.09320%0.199CC..THydrogen-bonded Turntrans67-154.8-17000000112.7D9 L11D9-G39 PolarHBondContact OD1-N 2.98Å; L11-G39 VanDerWaalsContact CD1-CA 3.49Å
40T82.8Confident90.2Very high74 Ų7442.3 Ų42.345%0.45422%0.219SC..THydrogen-bonded Turntrans-88.2-27.9-170.358.30000114.2
41N89.9Confident89.4Confident58 Ų5841.7 Ų41.731%0.3123%0.225SC..THydrogen-bonded Turntrans-1162.3-168.5-62.115000113.3Y804 F805N41-Y804 HydrophobicContact CB-CD1 4.13Å; N41-Y804 HydrophobicContact CB-CE1 4.47Å; N41-Y804 CarbonylContact O-C 3.52Å; N41-Y804 WeakPolarHBondContact O-CA 3.49Å; N41-F805 PolarHBondContact O-N 2.66Å
42I94.4Very high88.5Confident6 Ų636.1 Ų36.13%0.03121%0.207CC..EExtended strand (participates in β ladder)trans-126.2125.8-177.2-49.5168000109.9L38 L44 F468 A472 F805 R807 L842 A845 L849L38-I42 HydrophobicContact CB-CB 4.08Å; L38-I42 HydrophobicContact CB-CG2 4.2Å; L38-I42 HydrophobicContact CD2-CD1 4.19Å; L38-I42 HydrophobicContact CD2-CG2 4.26Å; L38-I42 HydrophobicContact CG-CB 4.44Å; L38-I42 HydrophobicContact CG-CD1 4.37Å; L38-I42 PolarHBondContact N-O 3.42Å; L38-I42 WeakPolarHBondContact O-CB 3.46Å; I42-L44 HydrophobicContact CG2-CD1 4.31Å; I42-F468 HydrophobicContact CD1-CE2 3.77Å; I42-F468 HydrophobicContact CD1-CZ 4.06Å; I42-F468 HydrophobicContact CG1-CE2 4.19Å; I42-F468 HydrophobicContact CG2-CE2 4.36Å; I42-A472 HydrophobicContact CD1-CB 3.9Å; I42-F805 CarbonylContact C-O 3.45Å; I42-F805 WeakPolarHBondContact CA-O 3.37Å; I42-F805 HydrophobicContact CG1-CB 4.39Å; I42-F805 HydrophobicContact CG1-CD2 4.48Å; I42-F805 HydrophobicContact CG2-CB 4.4Å; I42-R807 HydrophobicContact CG2-CG 4.36Å; I42-L842 HydrophobicContact CG2-CD2 4.11Å; I42-A845 HydrophobicContact CD1-CB 4.47Å; I42-L849 HydrophobicContact CD1-CD1 4.09Å
43L96.3Very high87.3Confident0 Ų036.8 Ų36.80%021%0.209CC..EExtended strand (participates in β ladder)trans-119.3127175.5-177.173.1000109.8Y35 W37 P74 V76 M79 F805 I806 R807Y35-L43 HydrophobicContact CD1-CD2 3.95Å; Y35-L43 HydrophobicContact CD1-CG 4.25Å; Y35-L43 HydrophobicContact CE1-CD2 4.4Å; W37-L43 HydrophobicContact CD2-CD1 3.95Å; W37-L43 HydrophobicContact CE3-CB 4.13Å; W37-L43 HydrophobicContact CE3-CD1 3.76Å; W37-L43 HydrophobicContact CH2-CD1 4.29Å; W37-L43 HydrophobicContact CZ2-CD1 4.47Å; W37-L43 HydrophobicContact CZ3-CB 3.92Å; W37-L43 HydrophobicContact CZ3-CD1 3.94Å; W37-L43 HydrophobicContact CZ3-CG 4.45Å; L43-P74 HydrophobicContact CD1-CB 4.03Å; L43-V76 HydrophobicContact CD2-CG1 4.03Å; L43-M79 HydrophobicContact CB-CE 3.51Å; L43-F805 PolarHBondContact N-O 3.35Å; L43-I806 HydrophobicContact CB-CG1 4.34Å; L43-I806 HydrophobicContact CD2-CG1 4.45Å; L43-I806 CarbonylContact O-C 3.58Å; L43-I806 VanDerWaalsContact O-CA 3.3Å; L43-I806 WeakPolarHBondContact O-CA 3.4Å; L43-R807 PolarHBondContact O-N 3.19Å
44L96.5Very high86.1Confident0 Ų040.3 Ų40.30%023%0.226CC..EExtended strand (participates in β ladder)trans-88.1138.3170.7-74.468.1000108.8L10 L25 Y35 T36 L38 I42 R807 I809 L837 L842L10-L44 HydrophobicContact CD1-CD1 4.5Å; L10-L44 HydrophobicContact CD1-CD2 3.84Å; L25-L44 HydrophobicContact CD1-CD2 4.1Å; L25-L44 HydrophobicContact CD2-CD2 4.26Å; Y35-L44 VanDerWaalsContact CA-O 3.31Å; Y35-L44 WeakPolarHBondContact CA-O 3.23Å; T36-L44 PolarHBondContact N-O 3.34Å; T36-L44 PolarHBondContact O-N 2.85Å; L38-L44 HydrophobicContact CB-CD1 3.69Å; L38-L44 HydrophobicContact CD2-CD1 4.33Å; I42-L44 HydrophobicContact CG2-CD1 4.31Å; L44-R807 WeakPolarHBondContact CA-O 3.13Å; L44-I809 HydrophobicContact CD2-CD1 4.07Å; L44-I809 HydrophobicContact CG-CD1 4.43Å; L44-L837 HydrophobicContact CD2-CD2 4.04Å; L44-L842 HydrophobicContact CD1-CD2 3.92Å; L44-L842 HydrophobicContact CD2-CD1 4.05Å; L44-L842 HydrophobicContact CG-CD1 4.04Å; L44-L842 HydrophobicContact CG-CD2 4.32Å
45S95.5Very high84.8Confident6 Ų641.9 Ų41.94%0.04223%0.234CC..EExtended strand (participates in β ladder)trans-132118.5176.2179.40000109.7I34 Y35 R807 C808 I809I34-S45 CarbonylContact O-C 3.44Å; I34-S45 WeakPolarHBondContact O-CA 3.35Å; Y35-S45 WeakPolarHBondContact CE1-OG 3.38Å; S45-R807 PolarHBondContact N-O 2.93Å; S45-C808 CarbonylContact O-C 3.53Å; S45-C808 VanDerWaalsContact O-CA 3.27Å; S45-C808 WeakPolarHBondContact O-CA 3.27Å; S45-I809 PolarHBondContact O-N 2.89Å
46I94.4Very high83.8Confident4 Ų443.4 Ų43.42%0.02124%0.24CC..EExtended strand (participates in β ladder)trans-96.4125.5176.2-54.3177.5000108.7L25 Y29 I34 P48 I809 P811L25-I46 HydrophobicContact CB-CD1 4Å; L25-I46 HydrophobicContact CD2-CD1 4.38Å; Y29-I46 HydrophobicContact CD2-CB 3.99Å; Y29-I46 HydrophobicContact CD2-CG2 3.46Å; Y29-I46 VanDerWaalsContact CD2-CG2 3.46Å; Y29-I46 HydrophobicContact CE2-CB 4.47Å; Y29-I46 HydrophobicContact CE2-CG2 3.66Å; Y29-I46 HydrophobicContact CG-CG2 4.47Å; I34-I46 VanDerWaalsContact CB-O 3.31Å; I34-I46 WeakPolarHBondContact CB-O 3.39Å; I34-I46 WeakPolarHBondContact CG2-O 3.41Å; I34-I46 PolarHBondContact O-N 3.46Å; I46-P48 VanDerWaalsContact O-CD 3.28Å; I46-P48 WeakPolarHBondContact O-CD 3.32Å; I46-I809 WeakPolarHBondContact CA-O 3.31Å; I46-I809 HydrophobicContact CG1-CB 4.25Å; I46-P811 HydrophobicContact CG2-CB 4.14Å
47N91.5Very high82.3Confident36 Ų3645 Ų4519%0.19325%0.252CS..  trans-63.2118.6-179-174.1-3000111.2K49 G103 S104 I809 P811N47-K49 PolarHBondContact O-N 3.29Å; N47-K49 PolarHBondContact OD1-N 3.43Å; N47-G103 PolarHBondContact ND2-O 3.46Å; N47-S104 WeakPolarHBondContact CB-O 3.11Å; N47-I809 PolarHBondContact N-O 3.27Å; N47-P811 WeakPolarHBondContact O-CD 3.21Å; N47-P811 WeakPolarHBondContact O-CG 3.34Å
48P89Confident80.6Confident25 Ų2547.7 Ų47.716%0.16227%0.273CS..  trans-69.9-14.6178.527.4-34.3000114.3Y29 I34 I46 S50 C52Y29-P48 PolarHBondContact OH-O 2.91Å; I34-P48 HydrophobicContact CD1-CG 4.21Å; I34-P48 HydrophobicContact CG2-CB 4.06Å; I34-P48 HydrophobicContact CG2-CG 4.43Å; I46-P48 VanDerWaalsContact O-CD 3.28Å; I46-P48 WeakPolarHBondContact O-CD 3.32Å; P48-S50 PolarHBondContact O-N 3.39Å; P48-C52 VanDerWaalsContact CB-SG 3.55Å
49K82.2Confident78.9Confident104 Ų10453.8 Ų53.845%0.45231%0.306SS..SBendtrans58.8-1.1-172.2-64.3-173.6159.5-161.60116.5N47 P811 D812N47-K49 PolarHBondContact O-N 3.29Å; N47-K49 PolarHBondContact OD1-N 3.43Å; K49-P811 HydrophobicContact CD-CG 4.23Å; K49-P811 HydrophobicContact CG-CG 4.22Å; K49-D812 WeakPolarHBondContact CE-OD1 3.31Å; K49-D812 IonicContact NZ-OD1 2.85Å; K49-D812 PolarHBondContact NZ-OD1 2.93Å; K49-D812 IonicContact NZ-OD2 2.65Å; K49-D812 PolarHBondContact NZ-OD2 3.09Å
50S78.9Confident77.6Confident76 Ų7654.9 Ų54.953%0.53131%0.309SS..SBendtrans-124.7157.8173.559.80000109.1P48 C52P48-S50 PolarHBondContact O-N 3.39Å; S50-C52 PolarHBondContact O-N 2.78Å
51V70.2Confident76.9Confident129 Ų12952.7 Ų52.778%0.78229%0.293SS*.  trans-66.6125167.6-171.40000106.5P53V51-P53 VanDerWaalsContact C-CD 3.45Å; V51-P53 HydrophobicContact CG1-CG 3.98Å; V51-P53 VanDerWaalsContact O-CD 3.22Å; V51-P53 WeakPolarHBondContact O-CD 3.48Å
52C69Low75.6Confident21 Ų2153.7 Ų53.714%0.14230%0.298CS..  trans-109.377.5171.1-60.50000109.1P48 S50 Q54 N55 Y56P48-C52 VanDerWaalsContact CB-SG 3.55Å; S50-C52 PolarHBondContact O-N 2.78Å; C52-Q54 PolarHBondContact O-N 2.88Å; C52-Q54 VanDerWaalsContact O-N 3.14Å; C52-N55 HydrophobicContact CB-CB 4.28Å; C52-N55 PolarHBondContact O-N 3.2Å; C52-Y56 WeakPolarHBondContact O-CD2 3.21Å
53P61.3Low74.1Confident89 Ų8957.6 Ų57.658%0.57832%0.319SS*.Hα-helixtrans-57.2-33.4-177.8-19.229.5000111.9V51 N55 Y56 S57V51-P53 VanDerWaalsContact C-CD 3.45Å; V51-P53 HydrophobicContact CG1-CG 3.98Å; V51-P53 VanDerWaalsContact O-CD 3.22Å; V51-P53 WeakPolarHBondContact O-CD 3.48Å; P53-N55 PolarHBondContact O-N 3.31Å; P53-N55 VanDerWaalsContact O-N 3.16Å; P53-Y56 PolarHBondContact O-N 2.95Å; P53-S57 PolarHBondContact O-N 3.24Å
54Q63Low72.7Confident168 Ų16858 Ų5879%0.78532%0.321SS*.Hα-helixtrans-60.4-21.1178-63.9-174.85.700114.1C52 N60C52-Q54 PolarHBondContact O-N 2.88Å; C52-Q54 VanDerWaalsContact O-N 3.14Å; Q54-N60 PolarHBondContact O-ND2 3.27Å
55N64.4Low71Confident38 Ų3860.4 Ų60.420%0.20333%0.334CS..Hα-helixtrans-85.3-22.2177.1-72.2-13.2000112.2C52 P53 N60 H75C52-N55 HydrophobicContact CB-CB 4.28Å; C52-N55 PolarHBondContact O-N 3.2Å; P53-N55 PolarHBondContact O-N 3.31Å; P53-N55 VanDerWaalsContact O-N 3.16Å; N55-N60 VanDerWaalsContact C-ND2 3.34Å; N55-N60 PolarHBondContact O-ND2 3.27Å; N55-H75 PolarHBondContact O-NE2 3.17Å
56Y72.6Confident68.9Low42 Ų4268.5 Ų68.517%0.16537%0.371CS..Hα-helixtrans-128.812.8-167.1-49.2-70.1000114.5Y35 C52 P53 H75 V76 F77 H112Y35-Y56 HydrophobicContact CE2-CE1 4.42Å; Y35-Y56 PolarHBondContact OH-OH 3.4Å; C52-Y56 WeakPolarHBondContact O-CD2 3.21Å; P53-Y56 PolarHBondContact O-N 2.95Å; Y56-H75 AromaticContact CD1-CE1 3.95Å; Y56-H75 AromaticContact CE1-CE1 3.96Å; Y56-H75 AromaticContact CE1-NE2 3.85Å; Y56-V76 HydrophobicContact CE1-CG2 4.28Å; Y56-F77 HydrophobicContact CD1-CE1 4.47Å; Y56-F77 HydrophobicContact CD1-CE2 4.38Å; Y56-F77 AromaticContact CD1-CZ 3.81Å; Y56-F77 HydrophobicContact CD1-CZ 3.81Å; Y56-H112 HydrophobicContact CD1-CB 4.1Å; Y56-H112 AromaticContact CD1-CD2 3.75Å; Y56-H112 AromaticContact CD1-CE1 3.68Å; Y56-H112 AromaticContact CD1-CG 3.51Å; Y56-H112 AromaticContact CD1-ND1 3.46Å; Y56-H112 WeakPolarHBondContact CD1-ND1 3.05Å; Y56-H112 AromaticContact CD1-NE2 3.86Å; Y56-H112 AromaticContact CD2-CE1 3.37Å; Y56-H112 WeakPolarHBondContact CD2-CE1 3.39Å; Y56-H112 AromaticContact CD2-NE2 3.48Å; Y56-H112 WeakPolarHBondContact CD2-NE2 3.26Å; Y56-H112 HydrophobicContact CE1-CB 4.06Å; Y56-H112 AromaticContact CE1-CD2 3.33Å; Y56-H112 WeakPolarHBondContact CE1-CD2 3.37Å; Y56-H112 AromaticContact CE1-CE1 3.98Å; Y56-H112 AromaticContact CE1-CG 3.5Å; Y56-H112 AromaticContact CE1-ND1 3.9Å; Y56-H112 AromaticContact CE1-NE2 3.67Å; Y56-H112 AromaticContact CE2-CD2 3.82Å; Y56-H112 AromaticContact CE2-CE1 3.69Å; Y56-H112 AromaticContact CE2-NE2 3.26Å; Y56-H112 VanDerWaalsContact CE2-NE2 3.26Å; Y56-H112 WeakPolarHBondContact CE2-NE2 3.35Å; Y56-H112 AromaticContact CG-CE1 3.34Å; Y56-H112 AromaticContact CG-ND1 3.5Å; Y56-H112 AromaticContact CG-NE2 3.75Å; Y56-H112 AromaticContact CZ-CD2 3.33Å; Y56-H112 AromaticContact CZ-CE1 3.95Å; Y56-H112 AromaticContact CZ-CG 3.99Å; Y56-H112 AromaticContact CZ-NE2 3.33Å; Y56-H112 VanDerWaalsContact CZ-NE2 3.33Å
57S63.6Low66.8Low37 Ų3772.5 Ų72.526%0.25939%0.392SS..  trans-59.4151.6175.257.80000111.3P53 D59 N60P53-S57 PolarHBondContact O-N 3.24Å; S57-D59 PolarHBondContact O-N 3.28Å; S57-N60 WeakPolarHBondContact O-CB 3.32Å; S57-N60 PolarHBondContact O-N 3.11Å; S57-N60 VanDerWaalsContact O-N 3.13Å; S57-N60 PolarHBondContact OG-N 3.01Å; S57-N60 PolarHBondContact OG-OD1 3.34Å
58C58.2Low64.9Low78 Ų7877.2 Ų77.253%0.52742%0.422SS..SBendtrans-61.3-33.1175.2-64.10000111.6N60 W61C58-N60 PolarHBondContact O-N 3.28Å; C58-W61 HydrophobicContact CB-CE3 4.33Å; C58-W61 VanDerWaalsContact O-CB 3.23Å; C58-W61 WeakPolarHBondContact O-CB 3.4Å; C58-W61 PolarHBondContact O-N 2.98Å
59D56.4Low63.1Low129 Ų12978.8 Ų78.869%0.6943%0.429SS*.Hα-helixtrans-59.2-36.5175.4-57.4-33.5000111.8S57 W61 D62S57-D59 PolarHBondContact O-N 3.28Å; D59-W61 PolarHBondContact O-N 3.11Å; D59-D62 PolarHBondContact O-N 3.07Å
60N59.4Low61.6Low32 Ų3274.8 Ų74.817%0.17141%0.414CS..Hα-helixtrans-67.4-21.5175-71.3-1.3000112.5Q54 N55 S57 C58 D62 D63 F64Q54-N60 PolarHBondContact O-ND2 3.27Å; N55-N60 VanDerWaalsContact C-ND2 3.34Å; N55-N60 PolarHBondContact O-ND2 3.27Å; S57-N60 WeakPolarHBondContact O-CB 3.32Å; S57-N60 PolarHBondContact O-N 3.11Å; S57-N60 VanDerWaalsContact O-N 3.13Å; S57-N60 PolarHBondContact OG-N 3.01Å; S57-N60 PolarHBondContact OG-OD1 3.34Å; C58-N60 PolarHBondContact O-N 3.28Å; N60-D62 VanDerWaalsContact C-N 3.33Å; N60-D63 WeakPolarHBondContact O-CB 3.39Å; N60-D63 PolarHBondContact O-N 3.11Å; N60-F64 WeakPolarHBondContact O-CD2 3.24Å; N60-F64 VanDerWaalsContact O-CE2 3.25Å; N60-F64 WeakPolarHBondContact O-CE2 3.14Å
61W68.6Low60.6Low28 Ų2875.3 Ų75.311%0.10640%0.404CS..Hα-helixtrans-69.8-34.5-177.8-62-5.2000111.6C58 D59 D63 F64 N65 F77 H115 Y116 Y119C58-W61 HydrophobicContact CB-CE3 4.33Å; C58-W61 VanDerWaalsContact O-CB 3.23Å; C58-W61 WeakPolarHBondContact O-CB 3.4Å; C58-W61 PolarHBondContact O-N 2.98Å; D59-W61 PolarHBondContact O-N 3.11Å; W61-D63 VanDerWaalsContact C-N 3.32Å; W61-F64 PolarHBondContact O-N 3.2Å; W61-F64 VanDerWaalsContact O-N 3.15Å; W61-N65 PolarHBondContact O-N 3.32Å; W61-F77 AromaticContact CD1-CD2 3.97Å; W61-F77 AromaticContact CD1-CE2 3.41Å; W61-F77 VanDerWaalsContact CD1-CE2 3.41Å; W61-F77 AromaticContact CD1-CZ 3.89Å; W61-F77 AromaticContact NE1-CE2 3.41Å; W61-F77 AromaticContact NE1-CZ 3.39Å; W61-H115 HydrophobicContact CZ2-CB 4.37Å; W61-Y116 HydrophobicContact CG-CD2 4.28Å; W61-Y119 HydrophobicContact CB-CD1 4.22Å; W61-Y119 HydrophobicContact CB-CE1 3.65Å; W61-Y119 AromaticContact CD2-CD1 3.98Å; W61-Y119 HydrophobicContact CD2-CD1 3.98Å; W61-Y119 HydrophobicContact CD2-CE1 4.16Å; W61-Y119 HydrophobicContact CD2-CG 4.2Å; W61-Y119 AromaticContact CE3-CD1 3.33Å; W61-Y119 HydrophobicContact CE3-CD1 3.33Å; W61-Y119 AromaticContact CE3-CD2 3.34Å; W61-Y119 HydrophobicContact CE3-CD2 3.34Å; W61-Y119 AromaticContact CE3-CE1 3.57Å; W61-Y119 HydrophobicContact CE3-CE1 3.57Å; W61-Y119 AromaticContact CE3-CE2 3.55Å; W61-Y119 HydrophobicContact CE3-CE2 3.55Å; W61-Y119 AromaticContact CE3-CG 3.18Å; W61-Y119 HydrophobicContact CE3-CG 3.18Å; W61-Y119 AromaticContact CE3-CZ 3.64Å; W61-Y119 HydrophobicContact CG-CD1 4.41Å; W61-Y119 HydrophobicContact CG-CE1 4.27Å; W61-Y119 HydrophobicContact CH2-CG 4.33Å; W61-Y119 AromaticContact CZ3-CD1 3.92Å; W61-Y119 HydrophobicContact CZ3-CD1 3.92Å; W61-Y119 AromaticContact CZ3-CD2 3.32Å; W61-Y119 HydrophobicContact CZ3-CD2 3.32Å; W61-Y119 HydrophobicContact CZ3-CE1 4.48Å; W61-Y119 AromaticContact CZ3-CE2 3.94Å; W61-Y119 HydrophobicContact CZ3-CE2 3.94Å; W61-Y119 AromaticContact CZ3-CG 3.26Å; W61-Y119 HydrophobicContact CZ3-CG 3.26Å
62D62.8Low60.3Low80 Ų8075 Ų7543%0.42839%0.389SS..Hα-helixtrans-68.4-31.7178-75.3-34.8000112.4D59 N60 F64 N65 E66 Y119D59-D62 PolarHBondContact O-N 3.07Å; N60-D62 VanDerWaalsContact C-N 3.33Å; D62-F64 PolarHBondContact O-N 3.33Å; D62-F64 VanDerWaalsContact O-N 3.15Å; D62-N65 WeakPolarHBondContact O-CB 3.49Å; D62-N65 PolarHBondContact O-N 3.13Å; D62-N65 PolarHBondContact OD1-ND2 2.86Å; D62-E66 PolarHBondContact O-N 2.93Å; D62-Y119 PolarHBondContact OD1-OH 3.25Å; D62-Y119 VanDerWaalsContact OD1-OH 3.12Å
63D63.3Low61.1Low87 Ų8779.6 Ų79.647%0.46541%0.407SS..Hα-helixtrans-58-28.3171.7-70.3-18.2000112.5N60 W61N60-D63 WeakPolarHBondContact O-CB 3.39Å; N60-D63 PolarHBondContact O-N 3.11Å; W61-D63 VanDerWaalsContact C-N 3.32Å
64F65.6Low62.5Low8 Ų876.4 Ų76.44%0.03539%0.386CS..Hα-helixtrans-92.4-11.6175.4-58.3-82.3000113.3N60 W61 D62 C70 K73 H75 F77 S78 Y116N60-F64 WeakPolarHBondContact O-CD2 3.24Å; N60-F64 VanDerWaalsContact O-CE2 3.25Å; N60-F64 WeakPolarHBondContact O-CE2 3.14Å; W61-F64 PolarHBondContact O-N 3.2Å; W61-F64 VanDerWaalsContact O-N 3.15Å; D62-F64 PolarHBondContact O-N 3.33Å; D62-F64 VanDerWaalsContact O-N 3.15Å; F64-C70 HydrophobicContact CD1-CB 4.15Å; F64-K73 HydrophobicContact CE1-CD 4.45Å; F64-K73 HydrophobicContact CZ-CD 4.28Å; F64-H75 HydrophobicContact CE1-CB 4.19Å; F64-H75 HydrophobicContact CZ-CB 4Å; F64-F77 HydrophobicContact CD1-CB 4.41Å; F64-F77 HydrophobicContact CD2-CB 4.03Å; F64-F77 AromaticContact CD2-CD2 3.91Å; F64-F77 HydrophobicContact CD2-CD2 3.91Å; F64-F77 HydrophobicContact CD2-CG 4.48Å; F64-F77 HydrophobicContact CE1-CB 4.48Å; F64-F77 HydrophobicContact CE2-CB 4.15Å; F64-F77 AromaticContact CE2-CD2 3.67Å; F64-F77 HydrophobicContact CE2-CD2 3.67Å; F64-F77 HydrophobicContact CE2-CG 4.42Å; F64-F77 HydrophobicContact CG-CB 4.2Å; F64-F77 HydrophobicContact CZ-CB 4.36Å; F64-F77 HydrophobicContact CZ-CD2 4.4Å; F64-S78 VanDerWaalsContact CE1-OG 3.25Å; F64-S78 WeakPolarHBondContact CE1-OG 3.28Å; F64-Y116 HydrophobicContact CB-CE2 4.27Å; F64-Y116 WeakPolarHBondContact CB-OH 3.5Å
65N61.1Low63.9Low51 Ų5168.7 Ų68.727%0.27335%0.35SS..Hα-helixtrans-78-41.6179.2-84.4-32.3000113.3W61 D62 Y119 K120W61-N65 PolarHBondContact O-N 3.32Å; D62-N65 WeakPolarHBondContact O-CB 3.49Å; D62-N65 PolarHBondContact O-N 3.13Å; D62-N65 PolarHBondContact OD1-ND2 2.86Å; N65-Y119 PolarHBondContact ND2-OH 3.3Å; N65-K120 VanDerWaalsContact OD1-CD 3.31Å; N65-K120 WeakPolarHBondContact OD1-CD 3.4Å; N65-K120 WeakPolarHBondContact OD1-CE 3.4Å; N65-K120 PolarHBondContact OD1-NZ 3.43Å
66E52.3Low65.3Low176 Ų17666.9 Ų66.982%0.82234%0.34SS*.SBendtrans-101.8-10.5-163.3-63.5-162.5152.700115.2D62D62-E66 PolarHBondContact O-N 2.93Å
67I49.4Very low66.2Low89 Ų8965 Ų6546%0.45633%0.332SS..  trans-111.7109.9-167.9-53.2175.5000109.8D69 C70I67-D69 HydrophobicContact CG2-CB 4.04Å; I67-D69 PolarHBondContact O-N 2.79Å; I67-C70 HydrophobicContact CB-CB 4.21Å; I67-C70 WeakPolarHBondContact O-CB 3.43Å; I67-C70 PolarHBondContact O-N 2.86Å; I67-C70 PolarHBondContact O-SG 2.8Å
68T51.5Low67.5Low134 Ų13463.2 Ų63.282%0.82232%0.32SS*.THydrogen-bonded Turntrans-55.9-17.1173.131.30000114.1
69D52Low69.2Low59 Ų5959.5 Ų59.532%0.31630%0.295SS..THydrogen-bonded Turntrans-994.4178.4-67.3-46000115I67 W71 R72I67-D69 HydrophobicContact CG2-CB 4.04Å; I67-D69 PolarHBondContact O-N 2.79Å; D69-W71 VanDerWaalsContact C-CD1 3.48Å; D69-W71 PolarHBondContact O-N 2.81Å; D69-R72 PolarHBondContact O-N 2.73Å
70C49.2Very low70.9Confident20 Ų2053.3 Ų53.314%0.13526%0.262CS..G310 helixtrans-63.2-23.7-177.164.20000114.3F64 I67 R72 K73F64-C70 HydrophobicContact CD1-CB 4.15Å; I67-C70 HydrophobicContact CB-CB 4.21Å; I67-C70 WeakPolarHBondContact O-CB 3.43Å; I67-C70 PolarHBondContact O-N 2.86Å; I67-C70 PolarHBondContact O-SG 2.8Å; C70-R72 PolarHBondContact O-N 3.45Å; C70-K73 PolarHBondContact O-N 3.22Å; C70-K73 VanDerWaalsContact O-N 3.07Å
71W59.4Low72.4Confident87 Ų8753.9 Ų53.933%0.3326%0.264SS..G310 helixtrans-53.3-17.1172.966.7-55.2000114.2W37 D69 F982W37-W71 PolarHBondContact NE1-O 3.2Å; D69-W71 VanDerWaalsContact C-CD1 3.48Å; D69-W71 PolarHBondContact O-N 2.81Å; W71-F982 HydrophobicContact CH2-CE1 4.1Å; W71-F982 AromaticContact CH2-CZ 3.58Å; W71-F982 HydrophobicContact CH2-CZ 3.58Å; W71-F982 HydrophobicContact CZ2-CE1 4.38Å; W71-F982 HydrophobicContact CZ2-CZ 4.02Å
72R64.4Low73.3Confident122 Ų12254.1 Ų54.146%0.4627%0.266SS..G310 helixtrans-78.7-25.1177.2-64-171.1-174.6158.811.6114.9D69 C70 P74D69-R72 PolarHBondContact O-N 2.73Å; C70-R72 PolarHBondContact O-N 3.45Å; R72-P74 WeakPolarHBondContact O-CD 3.49Å
73K84.5Confident74.8Confident118 Ų11850.3 Ų50.351%0.51325%0.246SC..SBendtrans-78.6122.8178-173.3178.1179.2-177.30109F64 C70 H75 S78F64-K73 HydrophobicContact CE1-CD 4.45Å; F64-K73 HydrophobicContact CZ-CD 4.28Å; C70-K73 PolarHBondContact O-N 3.22Å; C70-K73 VanDerWaalsContact O-N 3.07Å; K73-H75 PolarHBondContact O-N 3.23Å; K73-H75 VanDerWaalsContact O-N 3.12Å; K73-S78 VanDerWaalsContact O-CB 3.27Å; K73-S78 WeakPolarHBondContact O-CB 3.43Å; K73-S78 PolarHBondContact O-OG 2.81Å
74P90.8Very high76.1Confident21 Ų2146.4 Ų46.414%0.13623%0.225CC..  trans-67.3113.8177.227-32.3000109.4A8 Y35 W37 L43 R72A8-P74 HydrophobicContact CB-CG 4.35Å; Y35-P74 VanDerWaalsContact CB-O 3.22Å; Y35-P74 WeakPolarHBondContact CB-O 3.25Å; Y35-P74 WeakPolarHBondContact O-CG 3.47Å; W37-P74 HydrophobicContact CD2-CB 4.44Å; W37-P74 HydrophobicContact CG-CB 4.05Å; W37-P74 VanDerWaalsContact NE1-CA 3.33Å; L43-P74 HydrophobicContact CD1-CB 4.03Å; R72-P74 WeakPolarHBondContact O-CD 3.49Å
75H92.2Very high77.2Confident7 Ų752.8 Ų52.83%0.03225%0.249CC..SBendtrans-162.4154.4177.5-159.2-99.2000110.2Y35 N55 Y56 F64 K73 F77 S78 M79Y35-H75 AromaticContact CD2-CD2 3.41Å; Y35-H75 VanDerWaalsContact CD2-CD2 3.41Å; Y35-H75 WeakPolarHBondContact CD2-CD2 3.34Å; Y35-H75 AromaticContact CD2-NE2 3.98Å; Y35-H75 AromaticContact CE2-CD2 3.35Å; Y35-H75 WeakPolarHBondContact CE2-CD2 3.31Å; Y35-H75 AromaticContact CE2-NE2 3.42Å; Y35-H75 WeakPolarHBondContact CE2-NE2 3.43Å; N55-H75 PolarHBondContact O-NE2 3.17Å; Y56-H75 AromaticContact CD1-CE1 3.95Å; Y56-H75 AromaticContact CE1-CE1 3.96Å; Y56-H75 AromaticContact CE1-NE2 3.85Å; F64-H75 HydrophobicContact CE1-CB 4.19Å; F64-H75 HydrophobicContact CZ-CB 4Å; K73-H75 PolarHBondContact O-N 3.23Å; K73-H75 VanDerWaalsContact O-N 3.12Å; H75-F77 AromaticContact CE1-CD1 3.91Å; H75-F77 AromaticContact CE1-CD2 3.24Å; H75-F77 WeakPolarHBondContact CE1-CD2 3.39Å; H75-F77 AromaticContact CE1-CE2 3.36Å; H75-F77 WeakPolarHBondContact CE1-CE2 3.48Å; H75-F77 AromaticContact CE1-CG 3.53Å; H75-F77 AromaticContact CE1-CZ 3.75Å; H75-F77 WeakPolarHBondContact ND1-CB 3.23Å; H75-F77 AromaticContact ND1-CD1 3.82Å; H75-F77 AromaticContact ND1-CD2 3.21Å; H75-F77 WeakPolarHBondContact ND1-CD2 3.24Å; H75-F77 AromaticContact ND1-CE2 3.84Å; H75-F77 AromaticContact ND1-CG 3.17Å; H75-F77 WeakPolarHBondContact ND1-CG 3.08Å; H75-F77 PolarHBondContact ND1-N 3.27Å; H75-F77 VanDerWaalsContact ND1-N 3.11Å; H75-F77 PolarHBondContact O-N 3.08Å; H75-S78 WeakPolarHBondContact O-CB 3.34Å; H75-S78 PolarHBondContact O-N 2.93Å; H75-M79 PolarHBondContact O-N 3.14Å; H75-M79 VanDerWaalsContact O-N 3.14Å
76V93.6Very high78.5Confident0 Ų052.4 Ų52.40%025%0.246CC..Hα-helixtrans-61.4-29.5173.1-70.90000112.8Y35 L43 Y56 M79 A80 A109 H112 I113 I806Y35-V76 HydrophobicContact CD1-CG1 4.42Å; Y35-V76 HydrophobicContact CE1-CG1 3.53Å; Y35-V76 WeakPolarHBondContact OH-CG1 3.47Å; L43-V76 HydrophobicContact CD2-CG1 4.03Å; Y56-V76 HydrophobicContact CE1-CG2 4.28Å; V76-M79 PolarHBondContact O-N 2.89Å; V76-A80 WeakPolarHBondContact O-CB 3.47Å; V76-A80 PolarHBondContact O-N 3.4Å; V76-A109 HydrophobicContact CG1-CB 4.43Å; V76-H112 HydrophobicContact CG2-CB 4.11Å; V76-I113 HydrophobicContact CB-CD1 4.22Å; V76-I113 HydrophobicContact CB-CG1 3.79Å; V76-I113 HydrophobicContact CG1-CD1 4.34Å; V76-I113 HydrophobicContact CG1-CG1 4.39Å; V76-I113 HydrophobicContact CG2-CG1 4.47Å; V76-I806 HydrophobicContact CG1-CD1 4.08Å
77F92.4Very high80.3Confident1 Ų144.1 Ų44.10%0.00421%0.207CC..Hα-helixtrans-70.6-40.1175.7-57.4-22.1000111.7Y56 W61 F64 H75 M79 A80 E81 H112 Y116Y56-F77 HydrophobicContact CD1-CE1 4.47Å; Y56-F77 HydrophobicContact CD1-CE2 4.38Å; Y56-F77 AromaticContact CD1-CZ 3.81Å; Y56-F77 HydrophobicContact CD1-CZ 3.81Å; W61-F77 AromaticContact CD1-CD2 3.97Å; W61-F77 AromaticContact CD1-CE2 3.41Å; W61-F77 VanDerWaalsContact CD1-CE2 3.41Å; W61-F77 AromaticContact CD1-CZ 3.89Å; W61-F77 AromaticContact NE1-CE2 3.41Å; W61-F77 AromaticContact NE1-CZ 3.39Å; F64-F77 HydrophobicContact CD1-CB 4.41Å; F64-F77 HydrophobicContact CD2-CB 4.03Å; F64-F77 AromaticContact CD2-CD2 3.91Å; F64-F77 HydrophobicContact CD2-CD2 3.91Å; F64-F77 HydrophobicContact CD2-CG 4.48Å; F64-F77 HydrophobicContact CE1-CB 4.48Å; F64-F77 HydrophobicContact CE2-CB 4.15Å; F64-F77 AromaticContact CE2-CD2 3.67Å; F64-F77 HydrophobicContact CE2-CD2 3.67Å; F64-F77 HydrophobicContact CE2-CG 4.42Å; F64-F77 HydrophobicContact CG-CB 4.2Å; F64-F77 HydrophobicContact CZ-CB 4.36Å; F64-F77 HydrophobicContact CZ-CD2 4.4Å; H75-F77 AromaticContact CE1-CD1 3.91Å; H75-F77 AromaticContact CE1-CD2 3.24Å; H75-F77 WeakPolarHBondContact CE1-CD2 3.39Å; H75-F77 AromaticContact CE1-CE2 3.36Å; H75-F77 WeakPolarHBondContact CE1-CE2 3.48Å; H75-F77 AromaticContact CE1-CG 3.53Å; H75-F77 AromaticContact CE1-CZ 3.75Å; H75-F77 WeakPolarHBondContact ND1-CB 3.23Å; H75-F77 AromaticContact ND1-CD1 3.82Å; H75-F77 AromaticContact ND1-CD2 3.21Å; H75-F77 WeakPolarHBondContact ND1-CD2 3.24Å; H75-F77 AromaticContact ND1-CE2 3.84Å; H75-F77 AromaticContact ND1-CG 3.17Å; H75-F77 WeakPolarHBondContact ND1-CG 3.08Å; H75-F77 PolarHBondContact ND1-N 3.27Å; H75-F77 VanDerWaalsContact ND1-N 3.11Å; H75-F77 PolarHBondContact O-N 3.08Å; F77-M79 VanDerWaalsContact C-N 3.33Å; F77-M79 PolarHBondContact O-N 3.37Å; F77-A80 PolarHBondContact O-N 3.13Å; F77-E81 PolarHBondContact O-N 3.01Å; F77-H112 HydrophobicContact CE1-CB 4.04Å; F77-H112 WeakPolarHBondContact CE1-O 3.47Å; F77-Y116 HydrophobicContact CB-CD1 4.33Å; F77-Y116 HydrophobicContact CB-CD2 3.94Å; F77-Y116 HydrophobicContact CB-CE1 4.25Å; F77-Y116 HydrophobicContact CB-CE2 3.84Å; F77-Y116 HydrophobicContact CB-CG 4.15Å; F77-Y116 HydrophobicContact CD1-CD1 4.33Å; F77-Y116 AromaticContact CD1-CD2 3.77Å; F77-Y116 HydrophobicContact CD1-CD2 3.77Å; F77-Y116 AromaticContact CD1-CG 3.62Å; F77-Y116 HydrophobicContact CD1-CG 3.62Å; F77-Y116 HydrophobicContact CD2-CD2 4.16Å; F77-Y116 HydrophobicContact CD2-CE2 4.46Å; F77-Y116 HydrophobicContact CE1-CD2 4.34Å; F77-Y116 HydrophobicContact CE1-CG 4.25Å; F77-Y116 AromaticContact CG-CD2 3.69Å; F77-Y116 HydrophobicContact CG-CD2 3.69Å; F77-Y116 HydrophobicContact CG-CE2 4.06Å; F77-Y116 AromaticContact CG-CG 3.95Å; F77-Y116 HydrophobicContact CG-CG 3.95Å
78S90.9Very high82Confident0 Ų042.1 Ų42.10%020%0.202CC..Hα-helixtrans-61.5-42.1173.7-47.80000111.6F64 K73 H75 E81 E82F64-S78 VanDerWaalsContact CE1-OG 3.25Å; F64-S78 WeakPolarHBondContact CE1-OG 3.28Å; K73-S78 VanDerWaalsContact O-CB 3.27Å; K73-S78 WeakPolarHBondContact O-CB 3.43Å; K73-S78 PolarHBondContact O-OG 2.81Å; H75-S78 WeakPolarHBondContact O-CB 3.34Å; H75-S78 PolarHBondContact O-N 2.93Å; S78-E81 PolarHBondContact O-N 3.37Å; S78-E82 WeakPolarHBondContact O-CB 3.47Å; S78-E82 PolarHBondContact O-N 3.46Å
79M92.8Very high83.5Confident0 Ų038.7 Ų38.70%018%0.183CC..Hα-helixtrans-60.8-44.3173.6-174.875.697.300111.7W37 L43 H75 V76 F77 E82 C83 I96 Y804 F805 I806W37-M79 HydrophobicContact CH2-CB 4.15Å; W37-M79 HydrophobicContact CH2-SD 4.17Å; W37-M79 HydrophobicContact CZ3-CE 3.91Å; W37-M79 HydrophobicContact CZ3-SD 3.98Å; L43-M79 HydrophobicContact CB-CE 3.51Å; H75-M79 PolarHBondContact O-N 3.14Å; H75-M79 VanDerWaalsContact O-N 3.14Å; V76-M79 PolarHBondContact O-N 2.89Å; F77-M79 VanDerWaalsContact C-N 3.33Å; F77-M79 PolarHBondContact O-N 3.37Å; M79-E82 PolarHBondContact O-N 2.97Å; M79-C83 PolarHBondContact O-N 3.24Å; M79-C83 PolarHBondContact O-SG 3.43Å; M79-I96 HydrophobicContact CG-CD1 4.4Å; M79-Y804 HydrophobicContact SD-CD1 3.44Å; M79-Y804 WeakPolarHBondContact SD-CD1 3.45Å; M79-Y804 HydrophobicContact SD-CE1 4.43Å; M79-Y804 HydrophobicContact SD-CG 3.93Å; M79-F805 WeakPolarHBondContact CE-O 3.42Å; M79-I806 HydrophobicContact CE-CG1 4.07Å
80A93.3Very high85Confident0 Ų038.1 Ų38.10%018%0.182CC..Hα-helixtrans-65.1-40.2178.100000112.2V76 F77 C83 L84 I113 Y116 L117V76-A80 WeakPolarHBondContact O-CB 3.47Å; V76-A80 PolarHBondContact O-N 3.4Å; F77-A80 PolarHBondContact O-N 3.13Å; A80-C83 WeakPolarHBondContact O-CB 3.27Å; A80-C83 PolarHBondContact O-N 3.33Å; A80-L84 WeakPolarHBondContact O-CG 3.23Å; A80-L84 PolarHBondContact O-N 3.21Å; A80-I113 HydrophobicContact CB-CG2 4.3Å; A80-Y116 HydrophobicContact CB-CD1 3.66Å; A80-Y116 HydrophobicContact CB-CE1 3.95Å; A80-L117 HydrophobicContact CB-CD2 3.99Å; A80-L117 HydrophobicContact CB-CG 4.27Å
81E90.7Very high86.5Confident44 Ų4442 Ų4221%0.20620%0.198CC..Hα-helixtrans-64.7-42.6175.6-161.668.9-172.700111.5F77 S78 C83 L84 Y85 Y116 K120F77-E81 PolarHBondContact O-N 3.01Å; S78-E81 PolarHBondContact O-N 3.37Å; E81-C83 VanDerWaalsContact C-N 3.32Å; E81-C83 PolarHBondContact O-N 3.42Å; E81-L84 PolarHBondContact O-N 3.33Å; E81-Y85 WeakPolarHBondContact O-CB 3.35Å; E81-Y85 PolarHBondContact O-N 2.93Å; E81-Y116 WeakPolarHBondContact OE2-CE1 3.34Å; E81-Y116 PolarHBondContact OE2-OH 3.03Å; E81-K120 IonicContact OE1-NZ 3.67Å; E81-K120 PolarHBondContact OE1-NZ 3.42Å; E81-K120 WeakPolarHBondContact OE2-CE 3.4Å; E81-K120 IonicContact OE2-NZ 2.9Å; E81-K120 PolarHBondContact OE2-NZ 3.21Å
82E88.2Confident88Confident33 Ų3341.8 Ų41.815%0.15420%0.203CC..Hα-helixtrans-60.2-44.4175.2-18058.1-155.800110.8S78 M79 L84 Y85 Q86 Y804S78-E82 WeakPolarHBondContact O-CB 3.47Å; S78-E82 PolarHBondContact O-N 3.46Å; M79-E82 PolarHBondContact O-N 2.97Å; E82-L84 PolarHBondContact O-N 3.48Å; E82-Y85 PolarHBondContact O-N 2.95Å; E82-Q86 HydrophobicContact CG-CG 4.35Å; E82-Q86 WeakPolarHBondContact O-CB 3.37Å; E82-Q86 WeakPolarHBondContact O-CG 3.41Å; E82-Q86 PolarHBondContact O-N 3.28Å; E82-Q86 WeakPolarHBondContact OE1-CG 3.36Å; E82-Q86 PolarHBondContact OE1-NE2 3.47Å; E82-Y804 HydrophobicContact CG-CE1 3.93Å
83C92.8Very high89.4Confident0 Ų038.1 Ų38.10%019%0.193CC..Hα-helixtrans-59.2-46.1174.5-67.20000111.3M79 A80 E81 Y85 Q86 L87 Q94 L436 Y804M79-C83 PolarHBondContact O-N 3.24Å; M79-C83 PolarHBondContact O-SG 3.43Å; A80-C83 WeakPolarHBondContact O-CB 3.27Å; A80-C83 PolarHBondContact O-N 3.33Å; E81-C83 VanDerWaalsContact C-N 3.32Å; E81-C83 PolarHBondContact O-N 3.42Å; C83-Y85 PolarHBondContact O-N 2.85Å; C83-Q86 PolarHBondContact O-N 3.4Å; C83-L87 WeakPolarHBondContact O-CB 3.46Å; C83-L87 PolarHBondContact O-N 2.78Å; C83-Q94 HydrophobicContact CB-CB 4.31Å; C83-L436 HydrophobicContact CB-CD1 3.82Å; C83-Y804 WeakPolarHBondContact SG-CD2 3.46Å
84L91.5Very high90Very high4 Ų432.5 Ų32.52%0.02117%0.168CC..Hα-helixtrans-62.6-42177.6-73.3177.7000112.1A80 E81 E82 L87 S88 L117 K120 Y172 Q176 L436A80-L84 WeakPolarHBondContact O-CG 3.23Å; A80-L84 PolarHBondContact O-N 3.21Å; E81-L84 PolarHBondContact O-N 3.33Å; E82-L84 PolarHBondContact O-N 3.48Å; L84-L87 WeakPolarHBondContact O-CB 3.13Å; L84-L87 PolarHBondContact O-N 2.75Å; L84-S88 PolarHBondContact O-N 3.22Å; L84-L117 HydrophobicContact CD1-CD2 3.72Å; L84-L117 HydrophobicContact CD2-CD2 3.99Å; L84-L117 HydrophobicContact CG-CD2 3.75Å; L84-K120 HydrophobicContact CD1-CB 4.29Å; L84-K120 HydrophobicContact CD1-CG 4.42Å; L84-Y172 HydrophobicContact CD2-CE1 3.91Å; L84-Y172 HydrophobicContact CD2-CE2 4.35Å; L84-Q176 PolarHBondContact O-NE2 2.9Å; L84-L436 HydrophobicContact CD2-CD1 4.29Å
85Y88Confident90.3Very high142 Ų14231.5 Ų31.556%0.55716%0.162SC*.Hα-helixtrans-60.1-49.7175.8174.7-103.5000110.9E81 E82 C83 L87 S88 S89E81-Y85 WeakPolarHBondContact O-CB 3.35Å; E81-Y85 PolarHBondContact O-N 2.93Å; E82-Y85 PolarHBondContact O-N 2.95Å; C83-Y85 PolarHBondContact O-N 2.85Å; Y85-L87 VanDerWaalsContact C-N 3.33Å; Y85-L87 PolarHBondContact O-N 3.3Å; Y85-S88 PolarHBondContact O-N 3.43Å; Y85-S88 VanDerWaalsContact O-N 3.07Å; Y85-S88 PolarHBondContact O-OG 2.89Å; Y85-S89 PolarHBondContact O-N 3.24Å; Y85-S89 PolarHBondContact O-OG 3.27Å
86Q87.7Confident90.6Very high44 Ų4431.1 Ų31.121%0.20616%0.16CC..Hα-helixtrans-66.3-35.6-179.2-67.4-73.2-1.600112.4E82 C83 S88 S89 T90 Y804E82-Q86 HydrophobicContact CG-CG 4.35Å; E82-Q86 WeakPolarHBondContact O-CB 3.37Å; E82-Q86 WeakPolarHBondContact O-CG 3.41Å; E82-Q86 PolarHBondContact O-N 3.28Å; E82-Q86 WeakPolarHBondContact OE1-CG 3.36Å; E82-Q86 PolarHBondContact OE1-NE2 3.47Å; C83-Q86 PolarHBondContact O-N 3.4Å; Q86-S88 VanDerWaalsContact C-N 3.28Å; Q86-S88 PolarHBondContact O-N 3.22Å; Q86-S89 WeakPolarHBondContact CA-OG 3.23Å; Q86-S89 PolarHBondContact O-N 2.68Å; Q86-S89 PolarHBondContact O-OG 3.35Å; Q86-S89 PolarHBondContact OE1-OG 2.97Å; Q86-T90 WeakPolarHBondContact O-CB 3.49Å; Q86-T90 PolarHBondContact O-N 2.84Å; Q86-T90 PolarHBondContact O-OG1 3.49Å; Q86-T90 VanDerWaalsContact OE1-CG2 3.32Å; Q86-Y804 WeakPolarHBondContact CG-OH 3.38Å
87L90.6Very high90.8Very high1 Ų131.2 Ų31.21%0.00516%0.161CC..Hα-helixtrans-56.3-42.8171.1-164.376.9000110.9C83 L84 Y85 Q91 Q94 Y172 S434 E435C83-L87 WeakPolarHBondContact O-CB 3.46Å; C83-L87 PolarHBondContact O-N 2.78Å; L84-L87 WeakPolarHBondContact O-CB 3.13Å; L84-L87 PolarHBondContact O-N 2.75Å; Y85-L87 VanDerWaalsContact C-N 3.33Å; Y85-L87 PolarHBondContact O-N 3.3Å; L87-Q91 WeakPolarHBondContact O-CA 3.18Å; L87-Q91 PolarHBondContact O-N 2.93Å; L87-Q94 HydrophobicContact CB-CG 3.95Å; L87-Q94 HydrophobicContact CD1-CB 4.43Å; L87-Q94 HydrophobicContact CD1-CG 3.73Å; L87-Q94 HydrophobicContact CG-CG 4.48Å; L87-Y172 HydrophobicContact CD2-CD2 3.63Å; L87-Y172 HydrophobicContact CD2-CE2 4.29Å; L87-Y172 HydrophobicContact CD2-CG 3.82Å; L87-S434 WeakPolarHBondContact CD2-OG 3.48Å; L87-S434 VanDerWaalsContact CG-OG 3.28Å; L87-S434 WeakPolarHBondContact CG-OG 2.96Å; L87-E435 WeakPolarHBondContact CD1-O 3.47Å
88S86.4Confident91Very high48 Ų4831.2 Ų31.234%0.33616%0.161SC..Hα-helixtrans-77.8-37.817757.10000115.2L84 Y85 Q86 Q91 Q176L84-S88 PolarHBondContact O-N 3.22Å; Y85-S88 PolarHBondContact O-N 3.43Å; Y85-S88 VanDerWaalsContact O-N 3.07Å; Y85-S88 PolarHBondContact O-OG 2.89Å; Q86-S88 VanDerWaalsContact C-N 3.28Å; Q86-S88 PolarHBondContact O-N 3.22Å; S88-Q91 PolarHBondContact O-NE2 3.05Å; S88-Q176 PolarHBondContact OG-NE2 3.45Å; S88-Q176 VanDerWaalsContact OG-NE2 3.08Å
89S82.9Confident91.1Very high61 Ų6131.4 Ų31.443%0.42716%0.162SC..Hα-helixtrans-78.8-42.9-172.363.30000111.9Y85 Q86Y85-S89 PolarHBondContact O-N 3.24Å; Y85-S89 PolarHBondContact O-OG 3.27Å; Q86-S89 WeakPolarHBondContact CA-OG 3.23Å; Q86-S89 PolarHBondContact O-N 2.68Å; Q86-S89 PolarHBondContact O-OG 3.35Å; Q86-S89 PolarHBondContact OE1-OG 2.97Å
90T82.1Confident91.1Very high48 Ų4832 Ų3229%0.29417%0.168SC..Hα-helixtrans-94-22.4-176.267.30000113.2Q86 N92Q86-T90 WeakPolarHBondContact O-CB 3.49Å; Q86-T90 PolarHBondContact O-N 2.84Å; Q86-T90 PolarHBondContact O-OG1 3.49Å; Q86-T90 VanDerWaalsContact OE1-CG2 3.32Å; T90-N92 PolarHBondContact O-N 2.82Å; T90-N92 VanDerWaalsContact O-N 3.14Å; T90-N92 WeakPolarHBondContact OG1-CB 3.48Å; T90-N92 PolarHBondContact OG1-N 2.75Å
91Q82.2Confident90.9Very high100 Ų10033.3 Ų33.347%0.46718%0.176SC..  trans57.915.2-169.4-57.9-69.2-47.300113.4L87 S88L87-Q91 WeakPolarHBondContact O-CA 3.18Å; L87-Q91 PolarHBondContact O-N 2.93Å; S88-Q91 PolarHBondContact O-NE2 3.05Å
92N89.6Confident90.6Very high83 Ų8331.6 Ų31.644%0.44417%0.169SC..  trans-84.9153.1170.4-68.9-13.1000109.5T90 Q94T90-N92 PolarHBondContact O-N 2.82Å; T90-N92 VanDerWaalsContact O-N 3.14Å; T90-N92 WeakPolarHBondContact OG1-CB 3.48Å; T90-N92 PolarHBondContact OG1-N 2.75Å; N92-Q94 PolarHBondContact O-NE2 2.99Å
93N95.2Very high90.5Very high45 Ų4530.5 Ų30.524%0.24117%0.166CC..EExtended strand (participates in β ladder)trans-72.3147.1172.5-61.2-26.3000110.5E435 H801 N802N93-E435 CarbonylContact C-O 3.59Å; N93-E435 VanDerWaalsContact CA-O 3.3Å; N93-E435 WeakPolarHBondContact CA-O 3.43Å; N93-E435 HydrophobicContact CB-CB 4.2Å; N93-E435 WeakPolarHBondContact CB-O 3.25Å; N93-E435 PolarHBondContact OD1-N 2.85Å; N93-H801 WeakPolarHBondContact CB-CD2 3.45Å; N93-H801 VanDerWaalsContact CB-NE2 3.33Å; N93-H801 WeakPolarHBondContact CB-NE2 3.41Å; N93-H801 CarbonylContact O-C 3.41Å; N93-H801 VanDerWaalsContact O-CA 3.29Å; N93-H801 WeakPolarHBondContact O-CA 3.46Å; N93-N802 PolarHBondContact O-N 3.35Å
94Q96.2Very high90.4Very high0 Ų030.5 Ų30.50%017%0.166CC..EExtended strand (participates in β ladder)trans-116.9148.6-176.3-47.9-61.6-49.500109.6C83 L87 N92 E435 L436 G437 H801 N802C83-Q94 HydrophobicContact CB-CB 4.31Å; L87-Q94 HydrophobicContact CB-CG 3.95Å; L87-Q94 HydrophobicContact CD1-CB 4.43Å; L87-Q94 HydrophobicContact CD1-CG 3.73Å; L87-Q94 HydrophobicContact CG-CG 4.48Å; N92-Q94 PolarHBondContact O-NE2 2.99Å; Q94-E435 PolarHBondContact N-O 2.88Å; Q94-L436 HydrophobicContact CB-CG 4.46Å; Q94-L436 CarbonylContact O-C 3.58Å; Q94-L436 VanDerWaalsContact O-CA 3.29Å; Q94-L436 WeakPolarHBondContact O-CA 3.27Å; Q94-G437 PolarHBondContact O-N 3.49Å; Q94-H801 PolarHBondContact O-CD2 2.77Å; Q94-N802 CarbonylContact C-O 3.58Å; Q94-N802 PolarHBondContact NE2-ND2 3.24Å; Q94-N802 PolarHBondContact OE1-ND2 3.42Å
95S97.3Very high90.4Very high0 Ų031.1 Ų31.10%017%0.173CC..EExtended strand (participates in β ladder)trans-145133.5172.7-79.40000112.7Y167 G437 L798 H801 N802 L803 Y804S95-Y167 PolarHBondContact OG-OH 3.16Å; S95-G437 CarbonylContact C-O 3.55Å; S95-G437 WeakPolarHBondContact CA-O 3.06Å; S95-G437 WeakPolarHBondContact OG-CA 3.25Å; S95-L798 WeakPolarHBondContact OG-CD2 3.29Å; S95-H801 PolarHBondContact OG-CD2 2.56Å; S95-N802 PolarHBondContact N-O 2.87Å; S95-L803 WeakPolarHBondContact O-CA 3.49Å; S95-Y804 PolarHBondContact O-N 2.88Å
96I97.9Very high90.7Very high0 Ų025.1 Ų25.10%015%0.15CC..EExtended strand (participates in β ladder)trans-101.4119.3175.6-55.4172.4000108.5M79 I98 I113 G437 L439 Y804 I806M79-I96 HydrophobicContact CG-CD1 4.4Å; I96-I98 HydrophobicContact CG2-CG1 4.1Å; I96-I113 HydrophobicContact CD1-CG2 3.98Å; I96-I113 HydrophobicContact CG2-CD1 4.28Å; I96-G437 PolarHBondContact N-O 3.14Å; I96-L439 PolarHBondContact O-N 3.19Å; I96-Y804 CarbonylContact C-O 3.48Å; I96-Y804 WeakPolarHBondContact CA-O 3.43Å; I96-I806 HydrophobicContact CG2-CD1 3.63Å; I96-I806 HydrophobicContact CG2-CG1 4Å
97I97.2Very high90.9Very high2 Ų224.2 Ų24.21%0.0115%0.148CC..EExtended strand (participates in β ladder)trans-106.1116179.8-60.7175.6000109T99 L439 L464 L798 L803 Y804 F805 I806I97-T99 HydrophobicContact CG2-CG2 3.8Å; I97-L439 HydrophobicContact CG1-CB 4.34Å; I97-L439 HydrophobicContact CG1-CD2 4.27Å; I97-L439 HydrophobicContact CG2-CD2 4.27Å; I97-L464 HydrophobicContact CG2-CD2 4.44Å; I97-L798 HydrophobicContact CD1-CD1 3.93Å; I97-L798 HydrophobicContact CG1-CD1 4.48Å; I97-L803 HydrophobicContact CD1-CB 4.47Å; I97-L803 HydrophobicContact CD1-CD1 3.78Å; I97-L803 HydrophobicContact CD1-CD2 4.2Å; I97-L803 HydrophobicContact CD1-CG 4.37Å; I97-Y804 PolarHBondContact N-O 2.99Å; I97-F805 HydrophobicContact CB-CD1 3.9Å; I97-F805 HydrophobicContact CB-CE1 4.11Å; I97-F805 HydrophobicContact CD1-CD1 4.43Å; I97-F805 HydrophobicContact CD1-CE1 3.77Å; I97-F805 HydrophobicContact CD1-CZ 4.31Å; I97-F805 HydrophobicContact CG1-CE1 4.47Å; I97-F805 HydrophobicContact CG2-CD1 4.15Å; I97-F805 HydrophobicContact CG2-CE1 4.28Å; I97-F805 WeakPolarHBondContact O-CA 3.39Å; I97-I806 PolarHBondContact O-N 3.14Å
98I97Very high90.9Very high1 Ų128 Ų281%0.00517%0.165CC..EExtended strand (participates in β ladder)trans-105.8119.4-176.1-52.8168.4000108.3I96 K106 A109 T110 I113 I438 L439 I806I96-I98 HydrophobicContact CG2-CG1 4.1Å; I98-K106 HydrophobicContact CG2-CB 3.81Å; I98-K106 HydrophobicContact CG2-CG 4.04Å; I98-A109 HydrophobicContact CG2-CB 4.33Å; I98-T110 HydrophobicContact CD1-CG2 4.48Å; I98-T110 WeakPolarHBondContact CD1-OG1 3.16Å; I98-I113 HydrophobicContact CD1-CD1 3.94Å; I98-I438 HydrophobicContact CD1-CG2 3.92Å; I98-L439 PolarHBondContact N-O 3.12Å; I98-I806 HydrophobicContact CG1-CB 4.19Å; I98-I806 HydrophobicContact CG1-CD1 4.17Å; I98-I806 HydrophobicContact CG2-CB 4.36Å; I98-I806 HydrophobicContact CG2-CG2 4.42Å
99T93.9Very high91.2Very high4 Ų425.9 Ų25.93%0.02515%0.15CC..EExtended strand (participates in β ladder)trans-141.8155.4-171.649.30000111I97 L464 I806 R807 C808I97-T99 HydrophobicContact CG2-CG2 3.8Å; T99-L464 HydrophobicContact CG2-CB 4.46Å; T99-L464 HydrophobicContact CG2-CD1 3.88Å; T99-I806 PolarHBondContact N-O 3Å; T99-R807 VanDerWaalsContact CB-NH1 3.3Å; T99-R807 VanDerWaalsContact OG1-CD 3.26Å; T99-R807 WeakPolarHBondContact OG1-CD 3.44Å; T99-R807 PolarHBondContact OG1-NH1 3.13Å; T99-C808 PolarHBondContact O-N 3.03Å
100G92Very high91.8Very high12 Ų1223 Ų2312%0.12413%0.131CC..EExtended strand (participates in β ladder)trans156.3168.9-174.200000111.7K106 G443 C808G100-K106 PolarHBondContact O-NZ 3.49Å; G100-G443 WeakPolarHBondContact O-CA 3.47Å; G100-C808 VanDerWaalsContact CA-O 3.3Å; G100-C808 WeakPolarHBondContact CA-O 3.24Å
101T89.4Confident92.3Very high27 Ų2724 Ų2417%0.16613%0.131CC..BIsolated β-bridgetrans-62.7168.6179.154.60000112.4G103 S104 K106 Q836T101-G103 PolarHBondContact O-N 3.23Å; T101-S104 PolarHBondContact N-OG 3.08Å; T101-S104 WeakPolarHBondContact O-CB 3.4Å; T101-S104 PolarHBondContact O-N 3.12Å; T101-S104 PolarHBondContact O-OG 3.1Å; T101-K106 PolarHBondContact O-NZ 2.88Å; T101-Q836 HydrophobicContact CG2-CG 4.41Å; T101-Q836 PolarHBondContact OG1-OE1 3.19Å
102S85.4Confident92.7Very high9 Ų921 Ų216%0.06312%0.116CC..THydrogen-bonded Turntrans-60.4133.1174.6-162.50000111.8S104 F444 R810S102-S104 VanDerWaalsContact C-N 3.33Å; S102-S104 PolarHBondContact O-N 3.49Å; S102-F444 PolarHBondContact N-O 2.76Å; S102-R810 PolarHBondContact O-NH1 2.78Å
103G85.7Confident93Very high9 Ų917 Ų179%0.09310%0.095CC..THydrogen-bonded Turntrans7117.5-177.200000116N47 T101 G105N47-G103 PolarHBondContact ND2-O 3.46Å; T101-G103 PolarHBondContact O-N 3.23Å; G103-G105 VanDerWaalsContact C-N 3.31Å; G103-G105 PolarHBondContact O-N 2.99Å
104S90.7Very high92.9Very high0 Ų015 Ų150%08%0.084CC..SBendtrans-80.61175.656.30000115.2N47 T101 S102 C808N47-S104 WeakPolarHBondContact CB-O 3.11Å; T101-S104 PolarHBondContact N-OG 3.08Å; T101-S104 WeakPolarHBondContact O-CB 3.4Å; T101-S104 PolarHBondContact O-N 3.12Å; T101-S104 PolarHBondContact O-OG 3.1Å; S102-S104 VanDerWaalsContact C-N 3.33Å; S102-S104 PolarHBondContact O-N 3.49Å; S104-C808 WeakPolarHBondContact O-CB 3.44Å; S104-C808 WeakPolarHBondContact OG-CB 3.49Å
105G90.7Very high92.6Very high17 Ų1717.4 Ų17.418%0.17510%0.095CC..SBendtrans9316.5177.800000116.2G103 T107 E108 A109G103-G105 VanDerWaalsContact C-N 3.31Å; G103-G105 PolarHBondContact O-N 2.99Å; G105-T107 PolarHBondContact O-N 2.92Å; G105-E108 PolarHBondContact O-N 2.91Å; G105-A109 PolarHBondContact O-N 3.01Å
106K93.8Very high92.3Very high17 Ų1717.4 Ų17.47%0.07410%0.095CC..Hα-helixtrans-56.6-50.1179.1-61-174.9-62.9-63.90113.8I98 G100 T101 E108 A109 T110 L441 G443 C808I98-K106 HydrophobicContact CG2-CB 3.81Å; I98-K106 HydrophobicContact CG2-CG 4.04Å; G100-K106 PolarHBondContact O-NZ 3.49Å; T101-K106 PolarHBondContact O-NZ 2.88Å; K106-E108 VanDerWaalsContact C-N 3.32Å; K106-E108 PolarHBondContact O-N 3.38Å; K106-A109 PolarHBondContact O-N 3.45Å; K106-T110 PolarHBondContact O-N 2.8Å; K106-T110 PolarHBondContact O-OG1 2.74Å; K106-L441 WeakPolarHBondContact CE-O 3.38Å; K106-G443 VanDerWaalsContact NZ-CA 3.31Å; K106-C808 HydrophobicContact CG-CB 3.97Å
107T91.9Very high92.1Very high25 Ų2517.4 Ų17.415%0.15310%0.096CC..Hα-helixtrans-62.4-40.3-179.6-47.90000111.4G105 T110 K111 S162G105-T107 PolarHBondContact O-N 2.92Å; T107-T110 WeakPolarHBondContact O-CB 3.23Å; T107-T110 PolarHBondContact O-N 3.4Å; T107-K111 WeakPolarHBondContact O-CB 3.35Å; T107-K111 PolarHBondContact O-N 2.98Å; T107-S162 PolarHBondContact OG1-OG 3.28Å; T107-S162 VanDerWaalsContact OG1-OG 3.07Å
108E90.9Very high91.8Very high81 Ų8117.6 Ų17.638%0.37910%0.097SC..Hα-helixtrans-66.7-44.3176.6-64.4-53.6133.500111.8G105 K106 T110 K111 H112G105-E108 PolarHBondContact O-N 2.91Å; K106-E108 VanDerWaalsContact C-N 3.32Å; K106-E108 PolarHBondContact O-N 3.38Å; E108-T110 VanDerWaalsContact C-N 3.27Å; E108-T110 PolarHBondContact O-N 3.18Å; E108-K111 WeakPolarHBondContact O-CB 3.07Å; E108-K111 PolarHBondContact O-N 3.24Å; E108-K111 VanDerWaalsContact O-N 3.15Å; E108-H112 PolarHBondContact O-CD2 3.3Å; E108-H112 PolarHBondContact O-N 2.75Å
109A93.7Very high91.3Very high2 Ų219.8 Ų19.82%0.01711%0.105CC..Hα-helixtrans-57.5-43173.600000111.4V76 I98 G105 K106 K111 H112 I113V76-A109 HydrophobicContact CG1-CB 4.43Å; I98-A109 HydrophobicContact CG2-CB 4.33Å; G105-A109 PolarHBondContact O-N 3.01Å; K106-A109 PolarHBondContact O-N 3.45Å; A109-K111 PolarHBondContact O-N 3.21Å; A109-H112 PolarHBondContact O-N 3.27Å; A109-I113 WeakPolarHBondContact O-CD1 3.29Å; A109-I113 VanDerWaalsContact O-CG1 3.23Å; A109-I113 WeakPolarHBondContact O-CG1 3.44Å; A109-I113 PolarHBondContact O-N 3.38Å
110T94.7Very high91Very high2 Ų220.1 Ų20.11%0.01211%0.106CC..Hα-helixtrans-59.2-46.8175.3-53.70000111.5I98 K106 T107 E108 I113 L114 I168 I438 D440I98-T110 HydrophobicContact CD1-CG2 4.48Å; I98-T110 WeakPolarHBondContact CD1-OG1 3.16Å; K106-T110 PolarHBondContact O-N 2.8Å; K106-T110 PolarHBondContact O-OG1 2.74Å; T107-T110 WeakPolarHBondContact O-CB 3.23Å; T107-T110 PolarHBondContact O-N 3.4Å; E108-T110 VanDerWaalsContact C-N 3.27Å; E108-T110 PolarHBondContact O-N 3.18Å; T110-I113 PolarHBondContact O-N 3.17Å; T110-L114 WeakPolarHBondContact O-CB 3.43Å; T110-L114 PolarHBondContact O-N 3.26Å; T110-I168 HydrophobicContact CG2-CD1 4.24Å; T110-I438 HydrophobicContact CG2-CG2 3.92Å; T110-D440 HydrophobicContact CG2-CB 4.11Å; T110-D440 WeakPolarHBondContact OG1-CB 3.39Å
111K92.1Very high90.9Very high69 Ų6919.6 Ų19.630%0.310%0.101SC..Hα-helixtrans-60.1-48.7178.5-175.6177.2-178173.10111.2T107 E108 A109 I113 L114 H115T107-K111 WeakPolarHBondContact O-CB 3.35Å; T107-K111 PolarHBondContact O-N 2.98Å; E108-K111 WeakPolarHBondContact O-CB 3.07Å; E108-K111 PolarHBondContact O-N 3.24Å; E108-K111 VanDerWaalsContact O-N 3.15Å; A109-K111 PolarHBondContact O-N 3.21Å; K111-I113 PolarHBondContact O-N 3.14Å; K111-L114 PolarHBondContact O-N 3.28Å; K111-H115 WeakPolarHBondContact O-CB 3.47Å; K111-H115 PolarHBondContact O-CD2 3.02Å; K111-H115 PolarHBondContact O-N 3.38Å
112H92.1Very high90.7Very high36 Ų3620.1 Ų20.117%0.16711%0.105CC..Hα-helixtrans-61.9-43.1178.8-68.3-53.4000112.7Y56 V76 F77 E108 A109 H115 Y116Y56-H112 HydrophobicContact CD1-CB 4.1Å; Y56-H112 AromaticContact CD1-CD2 3.75Å; Y56-H112 AromaticContact CD1-CE1 3.68Å; Y56-H112 AromaticContact CD1-CG 3.51Å; Y56-H112 AromaticContact CD1-ND1 3.46Å; Y56-H112 WeakPolarHBondContact CD1-ND1 3.05Å; Y56-H112 AromaticContact CD1-NE2 3.86Å; Y56-H112 AromaticContact CD2-CE1 3.37Å; Y56-H112 WeakPolarHBondContact CD2-CE1 3.39Å; Y56-H112 AromaticContact CD2-NE2 3.48Å; Y56-H112 WeakPolarHBondContact CD2-NE2 3.26Å; Y56-H112 HydrophobicContact CE1-CB 4.06Å; Y56-H112 AromaticContact CE1-CD2 3.33Å; Y56-H112 WeakPolarHBondContact CE1-CD2 3.37Å; Y56-H112 AromaticContact CE1-CE1 3.98Å; Y56-H112 AromaticContact CE1-CG 3.5Å; Y56-H112 AromaticContact CE1-ND1 3.9Å; Y56-H112 AromaticContact CE1-NE2 3.67Å; Y56-H112 AromaticContact CE2-CD2 3.82Å; Y56-H112 AromaticContact CE2-CE1 3.69Å; Y56-H112 AromaticContact CE2-NE2 3.26Å; Y56-H112 VanDerWaalsContact CE2-NE2 3.26Å; Y56-H112 WeakPolarHBondContact CE2-NE2 3.35Å; Y56-H112 AromaticContact CG-CE1 3.34Å; Y56-H112 AromaticContact CG-ND1 3.5Å; Y56-H112 AromaticContact CG-NE2 3.75Å; Y56-H112 AromaticContact CZ-CD2 3.33Å; Y56-H112 AromaticContact CZ-CE1 3.95Å; Y56-H112 AromaticContact CZ-CG 3.99Å; Y56-H112 AromaticContact CZ-NE2 3.33Å; Y56-H112 VanDerWaalsContact CZ-NE2 3.33Å; V76-H112 HydrophobicContact CG2-CB 4.11Å; F77-H112 HydrophobicContact CE1-CB 4.04Å; F77-H112 WeakPolarHBondContact CE1-O 3.47Å; E108-H112 PolarHBondContact O-CD2 3.3Å; E108-H112 PolarHBondContact O-N 2.75Å; A109-H112 PolarHBondContact O-N 3.27Å; H112-H115 PolarHBondContact O-N 3.31Å; H112-Y116 WeakPolarHBondContact O-CB 3.37Å; H112-Y116 PolarHBondContact O-N 2.8Å
113I94.4Very high90.7Very high0 Ų021.2 Ų21.20%011%0.11CC..Hα-helixtrans-61.8-46.6176.6-67.5162.3000110.7V76 A80 I96 I98 A109 T110 K111 H115 Y116 L117 I438 I806V76-I113 HydrophobicContact CB-CD1 4.22Å; V76-I113 HydrophobicContact CB-CG1 3.79Å; V76-I113 HydrophobicContact CG1-CD1 4.34Å; V76-I113 HydrophobicContact CG1-CG1 4.39Å; V76-I113 HydrophobicContact CG2-CG1 4.47Å; A80-I113 HydrophobicContact CB-CG2 4.3Å; I96-I113 HydrophobicContact CD1-CG2 3.98Å; I96-I113 HydrophobicContact CG2-CD1 4.28Å; I98-I113 HydrophobicContact CD1-CD1 3.94Å; A109-I113 WeakPolarHBondContact O-CD1 3.29Å; A109-I113 VanDerWaalsContact O-CG1 3.23Å; A109-I113 WeakPolarHBondContact O-CG1 3.44Å; A109-I113 PolarHBondContact O-N 3.38Å; T110-I113 PolarHBondContact O-N 3.17Å; K111-I113 PolarHBondContact O-N 3.14Å; I113-H115 PolarHBondContact O-N 3.28Å; I113-Y116 PolarHBondContact O-N 3.06Å; I113-L117 HydrophobicContact CG2-CD1 3.77Å; I113-L117 HydrophobicContact CG2-CG 4.3Å; I113-L117 WeakPolarHBondContact O-CB 3.47Å; I113-L117 WeakPolarHBondContact O-CG 3.29Å; I113-L117 PolarHBondContact O-N 3.38Å; I113-I438 HydrophobicContact CG2-CD1 3.84Å; I113-I438 HydrophobicContact CG2-CG1 4.42Å; I113-I806 HydrophobicContact CD1-CD1 3.37Å
114L93.5Very high90.7Very high1 Ų123.1 Ų23.11%0.00512%0.116CC..Hα-helixtrans-62.4-43.9179.9-173.965.2000111.8T110 K111 Y116 L117 T118 L140 I168 L170 I438T110-L114 WeakPolarHBondContact O-CB 3.43Å; T110-L114 PolarHBondContact O-N 3.26Å; K111-L114 PolarHBondContact O-N 3.28Å; L114-Y116 VanDerWaalsContact C-N 3.35Å; L114-Y116 PolarHBondContact O-N 3.1Å; L114-L117 PolarHBondContact O-N 2.9Å; L114-T118 HydrophobicContact CD1-CG2 4.49Å; L114-T118 WeakPolarHBondContact O-CB 3.47Å; L114-T118 WeakPolarHBondContact O-CG2 3.13Å; L114-T118 PolarHBondContact O-N 3.44Å; L114-T118 PolarHBondContact O-OG1 2.93Å; L114-L140 HydrophobicContact CD1-CD1 4.41Å; L114-I168 HydrophobicContact CD1-CG2 4.36Å; L114-I168 HydrophobicContact CD2-CD1 4.25Å; L114-L170 HydrophobicContact CD1-CD1 4.29Å; L114-L170 HydrophobicContact CD1-CD2 4.28Å; L114-I438 HydrophobicContact CD1-CD1 4.37Å
115H91Very high90.3Very high51 Ų5125 Ų2524%0.23612%0.123CC..Hα-helixtrans-61.1-42.1175.8-83.7-116.5000112.1W61 K111 H112 I113 T118 Y119W61-H115 HydrophobicContact CZ2-CB 4.37Å; K111-H115 WeakPolarHBondContact O-CB 3.47Å; K111-H115 PolarHBondContact O-CD2 3.02Å; K111-H115 PolarHBondContact O-N 3.38Å; H112-H115 PolarHBondContact O-N 3.31Å; I113-H115 PolarHBondContact O-N 3.28Å; H115-T118 WeakPolarHBondContact CA-OG1 3.18Å; H115-T118 PolarHBondContact O-OG1 2.99Å; H115-Y119 VanDerWaalsContact O-CB 3.32Å; H115-Y119 WeakPolarHBondContact O-CB 3.48Å; H115-Y119 PolarHBondContact O-N 3.26Å
116Y91.3Very high89.9Confident0 Ų030.1 Ų30.10%014%0.143CC..Hα-helixtrans-67.2-44.6178.3179.1-99.9000112.6W61 F64 F77 A80 E81 H112 I113 L114 T118 Y119 K120W61-Y116 HydrophobicContact CG-CD2 4.28Å; F64-Y116 HydrophobicContact CB-CE2 4.27Å; F64-Y116 WeakPolarHBondContact CB-OH 3.5Å; F77-Y116 HydrophobicContact CB-CD1 4.33Å; F77-Y116 HydrophobicContact CB-CD2 3.94Å; F77-Y116 HydrophobicContact CB-CE1 4.25Å; F77-Y116 HydrophobicContact CB-CE2 3.84Å; F77-Y116 HydrophobicContact CB-CG 4.15Å; F77-Y116 HydrophobicContact CD1-CD1 4.33Å; F77-Y116 AromaticContact CD1-CD2 3.77Å; F77-Y116 HydrophobicContact CD1-CD2 3.77Å; F77-Y116 AromaticContact CD1-CG 3.62Å; F77-Y116 HydrophobicContact CD1-CG 3.62Å; F77-Y116 HydrophobicContact CD2-CD2 4.16Å; F77-Y116 HydrophobicContact CD2-CE2 4.46Å; F77-Y116 HydrophobicContact CE1-CD2 4.34Å; F77-Y116 HydrophobicContact CE1-CG 4.25Å; F77-Y116 AromaticContact CG-CD2 3.69Å; F77-Y116 HydrophobicContact CG-CD2 3.69Å; F77-Y116 HydrophobicContact CG-CE2 4.06Å; F77-Y116 AromaticContact CG-CG 3.95Å; F77-Y116 HydrophobicContact CG-CG 3.95Å; A80-Y116 HydrophobicContact CB-CD1 3.66Å; A80-Y116 HydrophobicContact CB-CE1 3.95Å; E81-Y116 WeakPolarHBondContact OE2-CE1 3.34Å; E81-Y116 PolarHBondContact OE2-OH 3.03Å; H112-Y116 WeakPolarHBondContact O-CB 3.37Å; H112-Y116 PolarHBondContact O-N 2.8Å; I113-Y116 PolarHBondContact O-N 3.06Å; L114-Y116 VanDerWaalsContact C-N 3.35Å; L114-Y116 PolarHBondContact O-N 3.1Å; Y116-T118 PolarHBondContact O-N 2.86Å; Y116-Y119 PolarHBondContact O-N 3.02Å; Y116-K120 HydrophobicContact CD1-CG 4.33Å; Y116-K120 HydrophobicContact CE1-CG 3.98Å; Y116-K120 HydrophobicContact CE2-CG 4.39Å; Y116-K120 WeakPolarHBondContact O-CG 3.3Å; Y116-K120 PolarHBondContact O-N 2.85Å; Y116-K120 WeakPolarHBondContact OH-CE 3.43Å; Y116-K120 PolarHBondContact OH-NZ 2.86Å
117L92.5Very high89.3Confident1 Ų137.4 Ų37.41%0.00517%0.174CC..Hα-helixtrans-65-39.5179.1-71.1174.7000112.4A80 L84 I113 L114 S121 L170 L436 I438A80-L117 HydrophobicContact CB-CD2 3.99Å; A80-L117 HydrophobicContact CB-CG 4.27Å; L84-L117 HydrophobicContact CD1-CD2 3.72Å; L84-L117 HydrophobicContact CD2-CD2 3.99Å; L84-L117 HydrophobicContact CG-CD2 3.75Å; I113-L117 HydrophobicContact CG2-CD1 3.77Å; I113-L117 HydrophobicContact CG2-CG 4.3Å; I113-L117 WeakPolarHBondContact O-CB 3.47Å; I113-L117 WeakPolarHBondContact O-CG 3.29Å; I113-L117 PolarHBondContact O-N 3.38Å; L114-L117 PolarHBondContact O-N 2.9Å; L117-S121 PolarHBondContact O-N 3.18Å; L117-S121 VanDerWaalsContact O-N 3.09Å; L117-L170 HydrophobicContact CB-CD1 4.36Å; L117-L170 HydrophobicContact CD1-CD1 3.73Å; L117-L436 HydrophobicContact CD1-CD1 4.16Å; L117-L436 HydrophobicContact CD1-CD2 3.87Å; L117-L436 HydrophobicContact CD2-CD1 4.21Å; L117-I438 HydrophobicContact CD1-CD1 3.91Å
118T90.7Very high88.4Confident5 Ų541.1 Ų41.13%0.03119%0.19CC..Hα-helixtrans-66.1-4417547.70000111.5L114 H115 Y116 K120 S121 S122 E137 L140L114-T118 HydrophobicContact CD1-CG2 4.49Å; L114-T118 WeakPolarHBondContact O-CB 3.47Å; L114-T118 WeakPolarHBondContact O-CG2 3.13Å; L114-T118 PolarHBondContact O-N 3.44Å; L114-T118 PolarHBondContact O-OG1 2.93Å; H115-T118 WeakPolarHBondContact CA-OG1 3.18Å; H115-T118 PolarHBondContact O-OG1 2.99Å; Y116-T118 PolarHBondContact O-N 2.86Å; T118-K120 PolarHBondContact O-N 3.4Å; T118-S121 PolarHBondContact O-N 2.73Å; T118-S122 WeakPolarHBondContact O-CB 3.13Å; T118-S122 PolarHBondContact O-N 3.45Å; T118-E137 HydrophobicContact CG2-CB 4.15Å; T118-E137 HydrophobicContact CG2-CG 4.1Å; T118-L140 HydrophobicContact CG2-CB 4.42Å; T118-L140 HydrophobicContact CG2-CD1 4.17Å
119Y87.8Confident87.3Confident48 Ų4841.5 Ų41.519%0.18819%0.194CC..Hα-helixtrans-58.7-47.3173.4166.4-102.3000113.1W61 D62 N65 H115 Y116 S121 S122 I123W61-Y119 HydrophobicContact CB-CD1 4.22Å; W61-Y119 HydrophobicContact CB-CE1 3.65Å; W61-Y119 AromaticContact CD2-CD1 3.98Å; W61-Y119 HydrophobicContact CD2-CD1 3.98Å; W61-Y119 HydrophobicContact CD2-CE1 4.16Å; W61-Y119 HydrophobicContact CD2-CG 4.2Å; W61-Y119 AromaticContact CE3-CD1 3.33Å; W61-Y119 HydrophobicContact CE3-CD1 3.33Å; W61-Y119 AromaticContact CE3-CD2 3.34Å; W61-Y119 HydrophobicContact CE3-CD2 3.34Å; W61-Y119 AromaticContact CE3-CE1 3.57Å; W61-Y119 HydrophobicContact CE3-CE1 3.57Å; W61-Y119 AromaticContact CE3-CE2 3.55Å; W61-Y119 HydrophobicContact CE3-CE2 3.55Å; W61-Y119 AromaticContact CE3-CG 3.18Å; W61-Y119 HydrophobicContact CE3-CG 3.18Å; W61-Y119 AromaticContact CE3-CZ 3.64Å; W61-Y119 HydrophobicContact CG-CD1 4.41Å; W61-Y119 HydrophobicContact CG-CE1 4.27Å; W61-Y119 HydrophobicContact CH2-CG 4.33Å; W61-Y119 AromaticContact CZ3-CD1 3.92Å; W61-Y119 HydrophobicContact CZ3-CD1 3.92Å; W61-Y119 AromaticContact CZ3-CD2 3.32Å; W61-Y119 HydrophobicContact CZ3-CD2 3.32Å; W61-Y119 HydrophobicContact CZ3-CE1 4.48Å; W61-Y119 AromaticContact CZ3-CE2 3.94Å; W61-Y119 HydrophobicContact CZ3-CE2 3.94Å; W61-Y119 AromaticContact CZ3-CG 3.26Å; W61-Y119 HydrophobicContact CZ3-CG 3.26Å; D62-Y119 PolarHBondContact OD1-OH 3.25Å; D62-Y119 VanDerWaalsContact OD1-OH 3.12Å; N65-Y119 PolarHBondContact ND2-OH 3.3Å; H115-Y119 VanDerWaalsContact O-CB 3.32Å; H115-Y119 WeakPolarHBondContact O-CB 3.48Å; H115-Y119 PolarHBondContact O-N 3.26Å; Y116-Y119 PolarHBondContact O-N 3.02Å; Y119-S121 VanDerWaalsContact C-N 3.33Å; Y119-S121 PolarHBondContact O-N 3.42Å; Y119-S122 WeakPolarHBondContact O-CB 3.33Å; Y119-S122 PolarHBondContact O-N 2.69Å; Y119-S122 VanDerWaalsContact O-N 3.15Å; Y119-I123 HydrophobicContact CD1-CD1 4.33Å; Y119-I123 HydrophobicContact CD2-CD1 4.22Å; Y119-I123 HydrophobicContact CD2-CG1 4.43Å; Y119-I123 HydrophobicContact CE1-CD1 3.59Å; Y119-I123 HydrophobicContact CE2-CD1 3.48Å; Y119-I123 VanDerWaalsContact CE2-CD1 3.48Å; Y119-I123 HydrophobicContact CE2-CG1 4.06Å; Y119-I123 PolarHBondContact O-N 3.23Å; Y119-I123 WeakPolarHBondContact OH-CD1 3.29Å
120K87.8Confident85.5Confident10 Ų1045.8 Ų45.84%0.04323%0.229CC..Hα-helixtrans-59-43177.5-79.4-77.5-170.6158.40112.5N65 E81 L84 Y116 T118 K124N65-K120 VanDerWaalsContact OD1-CD 3.31Å; N65-K120 WeakPolarHBondContact OD1-CD 3.4Å; N65-K120 WeakPolarHBondContact OD1-CE 3.4Å; N65-K120 PolarHBondContact OD1-NZ 3.43Å; E81-K120 IonicContact OE1-NZ 3.67Å; E81-K120 PolarHBondContact OE1-NZ 3.42Å; E81-K120 WeakPolarHBondContact OE2-CE 3.4Å; E81-K120 IonicContact OE2-NZ 2.9Å; E81-K120 PolarHBondContact OE2-NZ 3.21Å; L84-K120 HydrophobicContact CD1-CB 4.29Å; L84-K120 HydrophobicContact CD1-CG 4.42Å; Y116-K120 HydrophobicContact CD1-CG 4.33Å; Y116-K120 HydrophobicContact CE1-CG 3.98Å; Y116-K120 HydrophobicContact CE2-CG 4.39Å; Y116-K120 WeakPolarHBondContact O-CG 3.3Å; Y116-K120 PolarHBondContact O-N 2.85Å; Y116-K120 WeakPolarHBondContact OH-CE 3.43Å; Y116-K120 PolarHBondContact OH-NZ 2.86Å; T118-K120 PolarHBondContact O-N 3.4Å; K120-K124 PolarHBondContact O-N 3.27Å; K120-K124 VanDerWaalsContact O-N 3.16Å
121S89Confident83.5Confident2 Ų254.4 Ų54.41%0.01427%0.266CS..Hα-helixtrans-60.1-47.7174.3178.20000111.2L117 T118 Y119 I123 K124 R125 E137 L178L117-S121 PolarHBondContact O-N 3.18Å; L117-S121 VanDerWaalsContact O-N 3.09Å; T118-S121 PolarHBondContact O-N 2.73Å; Y119-S121 VanDerWaalsContact C-N 3.33Å; Y119-S121 PolarHBondContact O-N 3.42Å; S121-I123 PolarHBondContact O-N 3.18Å; S121-K124 PolarHBondContact O-N 2.87Å; S121-R125 WeakPolarHBondContact O-CB 3.43Å; S121-R125 PolarHBondContact O-N 3.37Å; S121-E137 WeakPolarHBondContact CB-OE1 3.32Å; S121-E137 PolarHBondContact OG-OE1 2.85Å; S121-L178 VanDerWaalsContact OG-CB 3.23Å; S121-L178 WeakPolarHBondContact OG-CB 3.27Å; S121-L178 PolarHBondContact OG-N 3.35Å
122S86Confident81.6Confident37 Ų3755.5 Ų55.526%0.25928%0.279SS..Hα-helixtrans-57.7-45.9179.8-175.60000112.4T118 Y119 R125 Q126T118-S122 WeakPolarHBondContact O-CB 3.13Å; T118-S122 PolarHBondContact O-N 3.45Å; Y119-S122 WeakPolarHBondContact O-CB 3.33Å; Y119-S122 PolarHBondContact O-N 2.69Å; Y119-S122 VanDerWaalsContact O-N 3.15Å; S122-R125 PolarHBondContact O-N 3.13Å; S122-Q126 WeakPolarHBondContact O-CB 3.46Å; S122-Q126 PolarHBondContact O-N 3.01Å
123I84.4Confident79.8Confident33 Ų3360.4 Ų60.417%0.16930%0.302CS..Hα-helixtrans-62-47.8176.3-72.2-174.4000112.2Y119 S121 R125 Q126 K127Y119-I123 HydrophobicContact CD1-CD1 4.33Å; Y119-I123 HydrophobicContact CD2-CD1 4.22Å; Y119-I123 HydrophobicContact CD2-CG1 4.43Å; Y119-I123 HydrophobicContact CE1-CD1 3.59Å; Y119-I123 HydrophobicContact CE2-CD1 3.48Å; Y119-I123 VanDerWaalsContact CE2-CD1 3.48Å; Y119-I123 HydrophobicContact CE2-CG1 4.06Å; Y119-I123 PolarHBondContact O-N 3.23Å; Y119-I123 WeakPolarHBondContact OH-CD1 3.29Å; S121-I123 PolarHBondContact O-N 3.18Å; I123-R125 VanDerWaalsContact C-N 3.26Å; I123-R125 PolarHBondContact O-N 3.37Å; I123-Q126 PolarHBondContact O-N 2.85Å; I123-K127 HydrophobicContact CG2-CD 4.31Å; I123-K127 WeakPolarHBondContact O-CG 3.33Å; I123-K127 PolarHBondContact O-N 3.29Å; I123-K127 VanDerWaalsContact O-N 3.15Å
124K85.6Confident78.6Confident49 Ų4961.3 Ų61.321%0.21331%0.307CS..Hα-helixtrans-61.4-40.1-179.7-76.5-177.4-177.6172.40111.1K120 S121 K127 Q128 Q176 I177K120-K124 PolarHBondContact O-N 3.27Å; K120-K124 VanDerWaalsContact O-N 3.16Å; S121-K124 PolarHBondContact O-N 2.87Å; K124-K127 PolarHBondContact O-N 3.35Å; K124-Q128 WeakPolarHBondContact O-CG 3.09Å; K124-Q128 PolarHBondContact O-N 2.86Å; K124-Q176 HydrophobicContact CD-CB 4.24Å; K124-I177 HydrophobicContact CB-CG1 4.04Å
125R83.1Confident78Confident38 Ų3865.3 Ų65.314%0.14333%0.325CS..Hα-helixtrans-65.9-46.7175.9-173.2-179.1-66.6-87.312.3112.2S121 S122 I123 K127 Q128 I129 T134 I177 L178S121-R125 WeakPolarHBondContact O-CB 3.43Å; S121-R125 PolarHBondContact O-N 3.37Å; S122-R125 PolarHBondContact O-N 3.13Å; I123-R125 VanDerWaalsContact C-N 3.26Å; I123-R125 PolarHBondContact O-N 3.37Å; R125-K127 PolarHBondContact O-N 3.11Å; R125-Q128 CarbonylContact O-C 3.55Å; R125-Q128 WeakPolarHBondContact O-CA 3.43Å; R125-Q128 PolarHBondContact O-N 3.48Å; R125-I129 PolarHBondContact O-N 2.88Å; R125-T134 VanDerWaalsContact CZ-CG2 3.42Å; R125-I177 HydrophobicContact CB-CD1 4.19Å; R125-I177 HydrophobicContact CB-CG2 4.21Å; R125-L178 PolarHBondContact NH2-O 3.04Å
126Q82.1Confident77.7Confident125 Ų12563.3 Ų63.358%0.58432%0.316SS*.Hα-helixtrans-58.9-32.9179.2-170.9177.721.800112.5S122 I123 Q128S122-Q126 WeakPolarHBondContact O-CB 3.46Å; S122-Q126 PolarHBondContact O-N 3.01Å; I123-Q126 PolarHBondContact O-N 2.85Å; Q126-Q128 VanDerWaalsContact C-N 3.29Å; Q126-Q128 PolarHBondContact O-N 2.99Å
127K81.6Confident77.5Confident171 Ų17163.6 Ų63.674%0.74332%0.317SS*.Hα-helixtrans-68.8-24173.6-71175.2-179.9176.80113.4I123 K124 R125I123-K127 HydrophobicContact CG2-CD 4.31Å; I123-K127 WeakPolarHBondContact O-CG 3.33Å; I123-K127 PolarHBondContact O-N 3.29Å; I123-K127 VanDerWaalsContact O-N 3.15Å; K124-K127 PolarHBondContact O-N 3.35Å; R125-K127 PolarHBondContact O-N 3.11Å
128Q73.2Confident77.3Confident102 Ų10266.6 Ų66.648%0.47733%0.331SS..Hα-helixtrans-102.9-38.7-176.1-67.2-177.113.400113.6K124 R125 Q126 N175K124-Q128 WeakPolarHBondContact O-CG 3.09Å; K124-Q128 PolarHBondContact O-N 2.86Å; R125-Q128 CarbonylContact O-C 3.55Å; R125-Q128 WeakPolarHBondContact O-CA 3.43Å; R125-Q128 PolarHBondContact O-N 3.48Å; Q126-Q128 VanDerWaalsContact C-N 3.29Å; Q126-Q128 PolarHBondContact O-N 2.99Å; Q128-N175 PolarHBondContact OE1-ND2 2.94Å
129I67.8Low77.3Confident90 Ų9066.3 Ų66.346%0.46233%0.329SS..SBendtrans-128.2114.3-176.8-54.9173.6000107R125 K131R125-I129 PolarHBondContact O-N 2.88Å; I129-K131 PolarHBondContact O-N 2.76Å
130A55.4Low77.4Confident92 Ų9264.2 Ų64.276%0.7632%0.321SS*.THydrogen-bonded Turntrans-61.7110.6-177.200000111.2
131K52.7Low77.5Confident182 Ų18266 Ų6679%0.79133%0.331SS*.THydrogen-bonded Turntrans66.653161.8-60.9-175.8174.1-177.30118.9I129I129-K131 PolarHBondContact O-N 2.76Å
132V51.7Low77.7Confident92 Ų9267.6 Ų67.656%0.55834%0.338SS*.  trans-125.6103.2158.3-173.20000109.2T134V132-T134 PolarHBondContact O-N 3.17Å
133E55Low78Confident140 Ų14066 Ų6665%0.65433%0.327SS*.  trans-60.8123.2155.5-175.2175.6-167.600106.1
134T68.3Low78.4Confident19 Ų1965.1 Ų65.112%0.11732%0.322CS..  trans-85.1147.4-174.786.30000111R125 V132 I136 E137R125-T134 VanDerWaalsContact CZ-CG2 3.42Å; V132-T134 PolarHBondContact O-N 3.17Å; T134-I136 PolarHBondContact O-N 2.88Å; T134-I136 PolarHBondContact OG1-N 3.49Å; T134-E137 WeakPolarHBondContact CB-OE2 3.38Å; T134-E137 PolarHBondContact N-OE2 3.36Å; T134-E137 PolarHBondContact O-N 2.93Å; T134-E137 PolarHBondContact OG1-OE2 2.91Å
135F80.7Confident78.8Confident84 Ų8464.2 Ų64.237%0.36832%0.321SS..Hα-helixtrans-50.3-28172.6-175.3-112.1000112.8T139 Q423F135-T139 WeakPolarHBondContact O-CB 3.15Å; F135-T139 PolarHBondContact O-N 3.02Å; F135-T139 PolarHBondContact O-OG1 3.14Å; F135-Q423 HydrophobicContact CE1-CB 3.53Å; F135-Q423 HydrophobicContact CE1-CG 3.8Å; F135-Q423 WeakPolarHBondContact CE1-O 3.33Å; F135-Q423 HydrophobicContact CZ-CB 3.94Å; F135-Q423 HydrophobicContact CZ-CG 3.81Å
136I86Confident79.4Confident10 Ų1062.4 Ų62.45%0.05132%0.315CS..Hα-helixtrans-72.7-51.3-176.2-57.2173.2000112.2T134 H138 T139 L140 L178 V179 L424 N425T134-I136 PolarHBondContact O-N 2.88Å; T134-I136 PolarHBondContact OG1-N 3.49Å; I136-H138 VanDerWaalsContact C-N 3.31Å; I136-H138 PolarHBondContact O-N 3.06Å; I136-T139 PolarHBondContact O-N 2.81Å; I136-L140 HydrophobicContact CG2-CD1 4.31Å; I136-L140 WeakPolarHBondContact O-CG 3.5Å; I136-L140 PolarHBondContact O-N 3.43Å; I136-L178 HydrophobicContact CG2-CD2 3.98Å; I136-L178 HydrophobicContact CG2-CG 4.35Å; I136-V179 WeakPolarHBondContact CD1-O 3.49Å; I136-L424 HydrophobicContact CG2-CD2 4.07Å; I136-N425 HydrophobicContact CD1-CB 4.41Å
137E86.4Confident80.1Confident5 Ų556.6 Ų56.62%0.02329%0.288CS..Hα-helixtrans-61.1-43.7179.4-70.399.3177.200110.8T118 S121 T134 L140 I141 L178T118-E137 HydrophobicContact CG2-CB 4.15Å; T118-E137 HydrophobicContact CG2-CG 4.1Å; S121-E137 WeakPolarHBondContact CB-OE1 3.32Å; S121-E137 PolarHBondContact OG-OE1 2.85Å; T134-E137 WeakPolarHBondContact CB-OE2 3.38Å; T134-E137 PolarHBondContact N-OE2 3.36Å; T134-E137 PolarHBondContact O-N 2.93Å; T134-E137 PolarHBondContact OG1-OE2 2.91Å; E137-L140 PolarHBondContact O-N 2.89Å; E137-I141 WeakPolarHBondContact O-CG1 3.35Å; E137-I141 PolarHBondContact O-N 3.5Å; E137-I141 VanDerWaalsContact O-N 3.14Å; E137-L178 HydrophobicContact CG-CD2 4.21Å
138H87.5Confident80.7Confident64 Ų6450.1 Ų50.130%0.29626%0.26SS..Hα-helixtrans-61.3-46.8176.1-175.5-103.8000111.7I136 L140 I141 Q142 A257I136-H138 VanDerWaalsContact C-N 3.31Å; I136-H138 PolarHBondContact O-N 3.06Å; H138-L140 PolarHBondContact O-N 2.98Å; H138-I141 PolarHBondContact O-N 2.98Å; H138-Q142 WeakPolarHBondContact O-CB 3.37Å; H138-Q142 WeakPolarHBondContact O-CG 3.49Å; H138-Q142 PolarHBondContact O-N 2.58Å; H138-A257 VanDerWaalsContact CE1-CB 3.42Å; H138-A257 WeakPolarHBondContact CE1-CB 3.29Å
139T91Very high81.9Confident0 Ų045.2 Ų45.20%024%0.237CC..Hα-helixtrans-60.9-42177.8-66.10000111.9F135 I136 Q142 S143 L258 I420 Q423 L424F135-T139 WeakPolarHBondContact O-CB 3.15Å; F135-T139 PolarHBondContact O-N 3.02Å; F135-T139 PolarHBondContact O-OG1 3.14Å; I136-T139 PolarHBondContact O-N 2.81Å; T139-Q142 PolarHBondContact O-N 3.44Å; T139-S143 WeakPolarHBondContact O-CB 3.34Å; T139-S143 PolarHBondContact O-N 3.03Å; T139-L258 HydrophobicContact CG2-CD2 3.65Å; T139-I420 HydrophobicContact CG2-CG2 4.44Å; T139-Q423 HydrophobicContact CG2-CB 3.81Å; T139-L424 HydrophobicContact CG2-CD2 3.54Å; T139-L424 HydrophobicContact CG2-CG 4.02Å
140L90.6Very high83.3Confident4 Ų441 Ų412%0.02122%0.216CC..Hα-helixtrans-61.1-45.9177-79.5173.8000112.2L114 T118 I136 E137 H138 S143 I168 L170 L178 A181 L424L114-L140 HydrophobicContact CD1-CD1 4.41Å; T118-L140 HydrophobicContact CG2-CB 4.42Å; T118-L140 HydrophobicContact CG2-CD1 4.17Å; I136-L140 HydrophobicContact CG2-CD1 4.31Å; I136-L140 WeakPolarHBondContact O-CG 3.5Å; I136-L140 PolarHBondContact O-N 3.43Å; E137-L140 PolarHBondContact O-N 2.89Å; H138-L140 PolarHBondContact O-N 2.98Å; L140-S143 PolarHBondContact O-N 3.45Å; L140-S143 PolarHBondContact O-OG 2.83Å; L140-I168 HydrophobicContact CD2-CG2 4.45Å; L140-L170 HydrophobicContact CD1-CD2 3.66Å; L140-L170 HydrophobicContact CD2-CD2 4.48Å; L140-L178 HydrophobicContact CD1-CD2 3.58Å; L140-A181 HydrophobicContact CD1-CB 3.92Å; L140-A181 HydrophobicContact CD2-CB 3.82Å; L140-A181 HydrophobicContact CG-CB 4.23Å; L140-L424 HydrophobicContact CD2-CD1 3.75Å; L140-L424 HydrophobicContact CD2-CD2 3.68Å; L140-L424 HydrophobicContact CD2-CG 4.39Å; L140-L424 HydrophobicContact CG-CD2 3.59Å
141I90.4Very high85.2Confident48 Ų4836.6 Ų36.625%0.24618%0.179CC..Hα-helixtrans-65.2-43.5179.2-66.3167.7000110.4E137 H138 S143 N144E137-I141 WeakPolarHBondContact O-CG1 3.35Å; E137-I141 PolarHBondContact O-N 3.5Å; E137-I141 VanDerWaalsContact O-N 3.14Å; H138-I141 PolarHBondContact O-N 2.98Å; I141-S143 VanDerWaalsContact C-N 3.28Å; I141-S143 PolarHBondContact O-N 2.87Å; I141-N144 PolarHBondContact O-N 3.36Å
142Q91.4Very high87.2Confident35 Ų3528 Ų2816%0.16414%0.142CC..Hα-helixtrans-75-15.3-178.2-62.8-66.9-13.200113.6H138 T139 N144 P145 A257 L258H138-Q142 WeakPolarHBondContact O-CB 3.37Å; H138-Q142 WeakPolarHBondContact O-CG 3.49Å; H138-Q142 PolarHBondContact O-N 2.58Å; T139-Q142 PolarHBondContact O-N 3.44Å; Q142-N144 VanDerWaalsContact C-N 3.28Å; Q142-N144 PolarHBondContact O-N 3.15Å; Q142-P145 WeakPolarHBondContact O-CD 3.2Å; Q142-A257 HydrophobicContact CB-CB 4.15Å; Q142-A257 HydrophobicContact CG-CB 3.71Å; Q142-L258 HydrophobicContact CB-CD2 4.35Å; Q142-L258 HydrophobicContact CB-CG 4.4Å
143S93.2Very high89.2Confident4 Ų423.7 Ų23.73%0.02812%0.116CC..Hα-helixtrans-66.2-29.617375.40000112.9T139 L140 I141 V146 L147T139-S143 WeakPolarHBondContact O-CB 3.34Å; T139-S143 PolarHBondContact O-N 3.03Å; L140-S143 PolarHBondContact O-N 3.45Å; L140-S143 PolarHBondContact O-OG 2.83Å; I141-S143 VanDerWaalsContact C-N 3.28Å; I141-S143 PolarHBondContact O-N 2.87Å; S143-V146 PolarHBondContact O-N 3.28Å; S143-L147 VanDerWaalsContact O-CG 3.29Å; S143-L147 WeakPolarHBondContact O-CG 3.3Å; S143-L147 PolarHBondContact O-N 2.81Å
144N92.7Very high90.9Very high13 Ų1319.9 Ų19.97%0.0710%0.098CC..Hα-helixtrans-63.9-52.6-175.4-74.7-30.2000112.9I141 Q142 V146 L147 E148I141-N144 PolarHBondContact O-N 3.36Å; Q142-N144 VanDerWaalsContact C-N 3.28Å; Q142-N144 PolarHBondContact O-N 3.15Å; N144-V146 PolarHBondContact O-N 3.01Å; N144-L147 PolarHBondContact O-N 3.32Å; N144-L147 VanDerWaalsContact O-N 3.13Å; N144-E148 WeakPolarHBondContact O-CB 3.28Å; N144-E148 VanDerWaalsContact O-CG 3.31Å; N144-E148 WeakPolarHBondContact O-CG 3.15Å; N144-E148 PolarHBondContact O-N 3.37Å
145P94.4Very high91.6Very high30 Ų3019.9 Ų19.920%0.19510%0.098CC..Hα-helixtrans-54.2-37.3176.2-27.433.5000114Q142 A149 A254Q142-P145 WeakPolarHBondContact O-CD 3.2Å; P145-A149 WeakPolarHBondContact O-CB 3.34Å; P145-A149 PolarHBondContact O-N 3.46Å; P145-A254 HydrophobicContact CB-CB 3.92Å; P145-A254 HydrophobicContact CG-CB 4.27Å
146V96.3Very high91.5Very high0 Ų021.5 Ų21.50%011%0.107CC..Hα-helixtrans-65-48.9177.3175.70000111.5S143 N144 A149 L150 L251 A254 F255 L258 M416 I420S143-V146 PolarHBondContact O-N 3.28Å; N144-V146 PolarHBondContact O-N 3.01Å; V146-A149 PolarHBondContact O-N 3.21Å; V146-L150 HydrophobicContact CG1-CD1 3.86Å; V146-L150 WeakPolarHBondContact O-CB 3.45Å; V146-L150 WeakPolarHBondContact O-CG 3.31Å; V146-L150 PolarHBondContact O-N 2.91Å; V146-L150 VanDerWaalsContact O-N 3.1Å; V146-L251 HydrophobicContact CB-CD1 4.38Å; V146-L251 HydrophobicContact CG2-CD1 4.1Å; V146-A254 HydrophobicContact CG2-CB 3.91Å; V146-F255 HydrophobicContact CB-CE1 4.32Å; V146-F255 HydrophobicContact CG1-CE1 3.83Å; V146-F255 HydrophobicContact CG2-CD1 3.73Å; V146-F255 HydrophobicContact CG2-CE1 3.67Å; V146-L258 HydrophobicContact CG2-CD1 3.73Å; V146-M416 HydrophobicContact CG1-CE 3.88Å; V146-I420 HydrophobicContact CG1-CD1 4.29Å
147L95.9Very high90.9Very high4 Ų423.4 Ų23.42%0.02112%0.115CC..Hα-helixtrans-69.3-34.1179.8-64.1169.9000112.2S143 N144 G151 F164 L183 F413 V417S143-L147 VanDerWaalsContact O-CG 3.29Å; S143-L147 WeakPolarHBondContact O-CG 3.3Å; S143-L147 PolarHBondContact O-N 2.81Å; N144-L147 PolarHBondContact O-N 3.32Å; N144-L147 VanDerWaalsContact O-N 3.13Å; L147-G151 VanDerWaalsContact O-CA 3.26Å; L147-G151 WeakPolarHBondContact O-CA 3.42Å; L147-G151 PolarHBondContact O-N 3.08Å; L147-F164 HydrophobicContact CB-CZ 3.82Å; L147-L183 HydrophobicContact CD1-CD1 4.23Å; L147-L183 HydrophobicContact CD1-CD2 3.46Å; L147-L183 VanDerWaalsContact CD1-CD2 3.46Å; L147-L183 HydrophobicContact CD1-CG 4.48Å; L147-L183 HydrophobicContact CD2-CD2 3.94Å; L147-L183 HydrophobicContact CG-CD2 4.25Å; L147-F413 HydrophobicContact CD2-CE2 4.37Å; L147-F413 HydrophobicContact CD2-CZ 4.21Å; L147-V417 HydrophobicContact CD2-CG2 3.93Å
148E95.1Very high90.6Very high34 Ų3425.2 Ų25.216%0.15913%0.125CC..Hα-helixtrans-65.2-44.5174.8-72-176.9-151.100110.9N144 L150 N152 N160N144-E148 WeakPolarHBondContact O-CB 3.28Å; N144-E148 VanDerWaalsContact O-CG 3.31Å; N144-E148 WeakPolarHBondContact O-CG 3.15Å; N144-E148 PolarHBondContact O-N 3.37Å; E148-L150 PolarHBondContact O-N 3.13Å; E148-N152 WeakPolarHBondContact O-CB 3.27Å; E148-N152 PolarHBondContact O-N 2.91Å; E148-N152 VanDerWaalsContact O-N 3.12Å; E148-N160 PolarHBondContact OE2-ND2 2.87Å
149A96.8Very high90.3Very high0 Ų027.2 Ų27.20%013%0.134CC..Hα-helixtrans-60.9-47.4176.200000112.4P145 V146 V206 W209 L251P145-A149 WeakPolarHBondContact O-CB 3.34Å; P145-A149 PolarHBondContact O-N 3.46Å; V146-A149 PolarHBondContact O-N 3.21Å; A149-V206 HydrophobicContact CB-CB 4.48Å; A149-V206 WeakPolarHBondContact O-CB 3.24Å; A149-V206 PolarHBondContact O-N 3.22Å; A149-W209 HydrophobicContact CB-CE3 3.95Å; A149-W209 HydrophobicContact CB-CZ3 3.56Å; A149-L251 HydrophobicContact CB-CD1 3.75Å; A149-L251 HydrophobicContact CB-CD2 3.73Å; A149-L251 HydrophobicContact CB-CG 4.24Å
150L97.4Very high90.2Very high1 Ų129.5 Ų29.51%0.00515%0.146CC..Hα-helixtrans-90.5-20.2-170.1-63.2171.7000114.3V146 E148 F204 V206 F268 Y409 F413 M416V146-L150 HydrophobicContact CG1-CD1 3.86Å; V146-L150 WeakPolarHBondContact O-CB 3.45Å; V146-L150 WeakPolarHBondContact O-CG 3.31Å; V146-L150 PolarHBondContact O-N 2.91Å; V146-L150 VanDerWaalsContact O-N 3.1Å; E148-L150 PolarHBondContact O-N 3.13Å; L150-F204 WeakPolarHBondContact O-CD1 3.28Å; L150-V206 HydrophobicContact CD2-CB 4.02Å; L150-V206 HydrophobicContact CD2-CG1 4.03Å; L150-V206 HydrophobicContact CD2-CG2 3.85Å; L150-F268 HydrophobicContact CD2-CE2 3.86Å; L150-F268 HydrophobicContact CD2-CZ 3.98Å; L150-Y409 VanDerWaalsContact C-OH 3.3Å; L150-Y409 WeakPolarHBondContact CA-OH 3.4Å; L150-Y409 PolarHBondContact O-OH 2.99Å; L150-F413 HydrophobicContact CB-CD2 3.8Å; L150-F413 HydrophobicContact CB-CE2 4.21Å; L150-M416 HydrophobicContact CD1-CB 4.01Å; L150-M416 HydrophobicContact CD1-CE 4.4Å; L150-M416 HydrophobicContact CD1-CG 3.75Å
151G96.1Very high90.2Very high0 Ų029.6 Ų29.60%015%0.147CC..Hα-helixtrans-121.7-14.5-171.900000114.3L147 R163 F164L147-G151 VanDerWaalsContact O-CA 3.26Å; L147-G151 WeakPolarHBondContact O-CA 3.42Å; L147-G151 PolarHBondContact O-N 3.08Å; G151-R163 WeakPolarHBondContact O-CA 3.2Å; G151-R163 WeakPolarHBondContact O-CB 3.32Å; G151-R163 PolarHBondContact O-N 3.4Å; G151-F164 VanDerWaalsContact CA-CD1 3.46Å; G151-F164 VanDerWaalsContact CA-CE1 3.47Å; G151-F164 WeakPolarHBondContact O-CD1 3.48Å
152N95.2Very high90.3Very high2 Ų228 Ų281%0.01114%0.141CC..EExtended strand (participates in β ladder)trans-97.9153177.1-57.29.1000111.4E148 N160 S161 S162 F164 F204 H205E148-N152 WeakPolarHBondContact O-CB 3.27Å; E148-N152 PolarHBondContact O-N 2.91Å; E148-N152 VanDerWaalsContact O-N 3.12Å; N152-N160 WeakPolarHBondContact CB-OD1 3.29Å; N152-N160 PolarHBondContact ND2-OD1 2.87Å; N152-S161 VanDerWaalsContact CA-O 3.27Å; N152-S161 WeakPolarHBondContact CA-O 3.48Å; N152-S161 WeakPolarHBondContact CB-O 3.34Å; N152-S162 WeakPolarHBondContact OD1-CA 3.32Å; N152-F164 WeakPolarHBondContact OD1-CE1 3.42Å; N152-F204 WeakPolarHBondContact O-CA 3.26Å; N152-H205 PolarHBondContact O-CD2 2.99Å; N152-H205 PolarHBondContact O-N 2.96Å
153A93.4Very high90.5Very high0 Ų026.4 Ų26.40%013%0.133CC..EExtended strand (participates in β ladder)trans-145.5160177.200000110.3S161 R163 S203 H205A153-S161 PolarHBondContact N-O 3.46Å; A153-S161 VanDerWaalsContact O-CB 3.28Å; A153-S161 WeakPolarHBondContact O-CB 3.42Å; A153-S161 PolarHBondContact O-N 3.32Å; A153-R163 HydrophobicContact CB-CG 3.73Å; A153-S203 VanDerWaalsContact CB-O 3.23Å; A153-S203 WeakPolarHBondContact CB-O 3.31Å; A153-H205 VanDerWaalsContact C-CE1 3.47Å
154Q89.8Confident90.5Very high61 Ų6126.4 Ų26.429%0.28513%0.132SC..EExtended strand (participates in β ladder)trans-75.7143.4170-179170.112.500110.5E159 F201 H205Q154-E159 WeakPolarHBondContact CA-O 3.46Å; Q154-F201 WeakPolarHBondContact CB-O 3.41Å; Q154-H205 PolarHBondContact N-CE1 3.35Å
155T82.8Confident90.6Very high19 Ų1925.8 Ų25.812%0.11713%0.129CC..EExtended strand (participates in β ladder)trans-130.3169.9176.962.50000109.2F157 N158T155-F157 PolarHBondContact O-N 3.29Å; T155-F157 VanDerWaalsContact O-N 3.1Å; T155-F157 PolarHBondContact OG1-N 3.13Å; T155-N158 PolarHBondContact N-O 3.29Å; T155-N158 PolarHBondContact OG1-N 2.9Å; T155-N158 VanDerWaalsContact OG1-N 3.1Å; T155-N158 PolarHBondContact OG1-O 2.89Å
156Q78.2Confident90.7Very high118 Ų11824.7 Ų24.755%0.55112%0.121SC*.THydrogen-bonded Turntrans-55.6-26173.1-68.8177.6-33.700113.2D448Q156-D448 PolarHBondContact NE2-OD2 3.16Å
157F73.9Confident90.7Very high49 Ų4924.9 Ų24.922%0.21512%0.122CC..THydrogen-bonded Turntrans-111.4-11.2-170.3-54.4-38000114.8T155 C446 L447 R810 P814T155-F157 PolarHBondContact O-N 3.29Å; T155-F157 VanDerWaalsContact O-N 3.1Å; T155-F157 PolarHBondContact OG1-N 3.13Å; F157-C446 WeakPolarHBondContact CE2-O 3.44Å; F157-L447 HydrophobicContact CD2-CD2 4.12Å; F157-L447 HydrophobicContact CE2-CD2 3.64Å; F157-L447 HydrophobicContact CZ-CD2 4.36Å; F157-R810 PolarHBondContact O-NH1 3Å; F157-R810 PolarHBondContact O-NH2 2.93Å; F157-P814 HydrophobicContact CB-CB 4.26Å; F157-P814 HydrophobicContact CD1-CB 3.1Å; F157-P814 HydrophobicContact CD1-CG 3.34Å; F157-P814 HydrophobicContact CE1-CB 3.57Å; F157-P814 HydrophobicContact CE1-CG 3.33Å; F157-P814 HydrophobicContact CG-CB 3.94Å; F157-P814 HydrophobicContact CG-CG 4.12Å; F157-P814 HydrophobicContact CZ-CG 4.13Å
158N79.7Confident90.7Very high44 Ų4424.9 Ų24.924%0.23512%0.122CC..EExtended strand (participates in β ladder)trans-157.7130.3-171.8-177.111.3000110.6T155 N160 S161T155-N158 PolarHBondContact N-O 3.29Å; T155-N158 PolarHBondContact OG1-N 2.9Å; T155-N158 VanDerWaalsContact OG1-N 3.1Å; T155-N158 PolarHBondContact OG1-O 2.89Å; N158-N160 VanDerWaalsContact ND2-C 3.35Å; N158-N160 PolarHBondContact ND2-O 2.92Å; N158-N160 PolarHBondContact OD1-N 3.48Å; N158-N160 VanDerWaalsContact OD1-N 3.09Å; N158-N160 PolarHBondContact OD1-O 3.41Å; N158-S161 WeakPolarHBondContact ND2-CA 3.33Å
159E83.1Confident90.7Very high106 Ų10626 Ų2650%0.49513%0.125SC..EExtended strand (participates in β ladder)trans-67.2-36.7175.7-70-175.4-172.100113Q154 H205 K243Q154-E159 WeakPolarHBondContact CA-O 3.46Å; E159-H205 PolarHBondContact O-CE1 2.79Å; E159-H205 PolarHBondContact O-NE2 3.19Å; E159-K243 IonicContact OE2-NZ 3.16Å; E159-K243 PolarHBondContact OE2-NZ 2.79Å
160N88.4Confident90.6Very high47 Ų4726 Ų2625%0.25113%0.125SC..EExtended strand (participates in β ladder)trans-126.285.5-176.6-171.916.9000109.6E148 N152 N158 H205E148-N160 PolarHBondContact OE2-ND2 2.87Å; N152-N160 WeakPolarHBondContact CB-OD1 3.29Å; N152-N160 PolarHBondContact ND2-OD1 2.87Å; N158-N160 VanDerWaalsContact ND2-C 3.35Å; N158-N160 PolarHBondContact ND2-O 2.92Å; N158-N160 PolarHBondContact OD1-N 3.48Å; N158-N160 VanDerWaalsContact OD1-N 3.09Å; N158-N160 PolarHBondContact OD1-O 3.41Å; N160-H205 PolarHBondContact OD1-NE2 3.48Å
161S89.8Confident90.4Very high7 Ų726.3 Ų26.35%0.04913%0.127CC..EExtended strand (participates in β ladder)trans-110.1118.8-175-161.80000111.1N152 A153 N158 R163N152-S161 VanDerWaalsContact CA-O 3.27Å; N152-S161 WeakPolarHBondContact CA-O 3.48Å; N152-S161 WeakPolarHBondContact CB-O 3.34Å; A153-S161 PolarHBondContact N-O 3.46Å; A153-S161 VanDerWaalsContact O-CB 3.28Å; A153-S161 WeakPolarHBondContact O-CB 3.42Å; A153-S161 PolarHBondContact O-N 3.32Å; N158-S161 WeakPolarHBondContact ND2-CA 3.33Å; S161-R163 WeakPolarHBondContact O-CD 3.31Å; S161-R163 WeakPolarHBondContact O-CG 3.46Å; S161-R163 PolarHBondContact O-N 2.89Å
162S93.4Very high90.3Very high15 Ų1526.4 Ų26.411%0.10513%0.127CC..EExtended strand (participates in β ladder)trans-58.5118172.7-46.10000110.2T107 N152 F164T107-S162 PolarHBondContact OG1-OG 3.28Å; T107-S162 VanDerWaalsContact OG1-OG 3.07Å; N152-S162 WeakPolarHBondContact OD1-CA 3.32Å; S162-F164 VanDerWaalsContact C-N 3.33Å
163R94.1Very high90Very high1 Ų127.9 Ų27.90%0.00414%0.135CC..SBendtrans-104.229.8176.8-49.1-53.2-59.4-176.3-0.3111.8G151 A153 S161 E189 R192 F204 E445G151-R163 WeakPolarHBondContact O-CA 3.2Å; G151-R163 WeakPolarHBondContact O-CB 3.32Å; G151-R163 PolarHBondContact O-N 3.4Å; A153-R163 HydrophobicContact CB-CG 3.73Å; S161-R163 WeakPolarHBondContact O-CD 3.31Å; S161-R163 WeakPolarHBondContact O-CG 3.46Å; S161-R163 PolarHBondContact O-N 2.89Å; R163-E189 HydrophobicContact CB-CB 4.19Å; R163-E189 IonicContact CZ-OE1 3.31Å; R163-E189 IonicContact CZ-OE2 2.85Å; R163-E189 VanDerWaalsContact NE-CD 3.35Å; R163-E189 IonicContact NE-OE1 3.96Å; R163-E189 PolarHBondContact NE-OE1 2.99Å; R163-E189 IonicContact NE-OE2 3.76Å; R163-E189 PolarHBondContact NE-OE2 2.88Å; R163-E189 IonicContact NH2-OE1 3.78Å; R163-E189 PolarHBondContact NH2-OE1 3.47Å; R163-E189 IonicContact NH2-OE2 3.19Å; R163-E189 PolarHBondContact NH2-OE2 3.42Å; R163-E189 PolarHBondContact O-N 3.32Å; R163-R192 VanDerWaalsContact NE-NH2 3.2Å; R163-R192 VanDerWaalsContact NH2-NH2 3.17Å; R163-F204 HydrophobicContact CB-CE1 4.11Å; R163-E445 IonicContact CZ-OE1 3.59Å; R163-E445 IonicContact CZ-OE2 3.6Å; R163-E445 IonicContact NH1-OE1 2.67Å; R163-E445 PolarHBondContact NH1-OE1 2.83Å; R163-E445 IonicContact NH1-OE2 3.43Å; R163-E445 PolarHBondContact NH1-OE2 3.26Å; R163-E445 IonicContact NH2-OE1 2.54Å; R163-E445 IonicContact NH2-OE2 3.05Å; R163-E445 PolarHBondContact NH2-OE2 3.48Å
164F95Very high89.7Confident3 Ų338.3 Ų38.31%0.01317%0.174CC..SBendtrans-149.8152.6168.866.3-80000107.8L147 G151 N152 S162 K166 I185 L188 F413 F442L147-F164 HydrophobicContact CB-CZ 3.82Å; G151-F164 VanDerWaalsContact CA-CD1 3.46Å; G151-F164 VanDerWaalsContact CA-CE1 3.47Å; G151-F164 WeakPolarHBondContact O-CD1 3.48Å; N152-F164 WeakPolarHBondContact OD1-CE1 3.42Å; S162-F164 VanDerWaalsContact C-N 3.33Å; F164-K166 HydrophobicContact CD2-CB 4.33Å; F164-K166 HydrophobicContact CE2-CB 4Å; F164-K166 HydrophobicContact CE2-CD 4.18Å; F164-K166 HydrophobicContact CE2-CG 4.35Å; F164-I185 HydrophobicContact CB-CG2 3.82Å; F164-I185 HydrophobicContact CD2-CD1 3.73Å; F164-I185 HydrophobicContact CD2-CG2 3.69Å; F164-I185 HydrophobicContact CE2-CD1 3.74Å; F164-I185 HydrophobicContact CG-CG2 4.1Å; F164-L188 HydrophobicContact CB-CD1 4.19Å; F164-F413 HydrophobicContact CB-CZ 4.48Å; F164-F413 HydrophobicContact CD1-CE2 4.37Å; F164-F413 HydrophobicContact CD1-CZ 4.12Å; F164-F413 HydrophobicContact CD2-CZ 4.14Å; F164-F413 HydrophobicContact CE1-CZ 4.45Å; F164-F413 HydrophobicContact CE2-CZ 4.42Å; F164-F413 AromaticContact CG-CZ 3.97Å; F164-F413 HydrophobicContact CG-CZ 3.97Å; F164-F442 VanDerWaalsContact C-CZ 3.44Å; F164-F442 VanDerWaalsContact CA-CE1 3.44Å; F164-F442 VanDerWaalsContact CA-CZ 3.48Å
165G94.2Very high89.6Confident0 Ų039.3 Ų39.30%018%0.181CC..EExtended strand (participates in β ladder)trans-92.2147.1168.800000110.6I185 Y186G165-I185 CarbonylContact O-C 3.54Å; G165-I185 WeakPolarHBondContact O-CA 3.33Å; G165-Y186 PolarHBondContact N-O 3.1Å; G165-Y186 PolarHBondContact O-N 3.01Å
166K95.3Very high89.8Confident8 Ų840.3 Ų40.34%0.03519%0.185CC..EExtended strand (participates in β ladder)trans-132.2138.4177.161.7177.4-177-79.40112.5F164 I168 L183 Q184 I185 D440F164-K166 HydrophobicContact CD2-CB 4.33Å; F164-K166 HydrophobicContact CE2-CB 4Å; F164-K166 HydrophobicContact CE2-CD 4.18Å; F164-K166 HydrophobicContact CE2-CG 4.35Å; K166-I168 HydrophobicContact CD-CD1 4.26Å; K166-I168 HydrophobicContact CD-CG1 4.48Å; K166-L183 HydrophobicContact CB-CD1 4.03Å; K166-L183 HydrophobicContact CD-CD1 4.37Å; K166-Q184 CarbonylContact C-O 3.56Å; K166-Q184 WeakPolarHBondContact CA-O 3.43Å; K166-I185 HydrophobicContact CB-CD1 3.83Å; K166-D440 HydrophobicContact CG-CB 3.95Å; K166-D440 PolarHBondContact N-O 3.29Å; K166-D440 IonicContact NZ-OD2 2.74Å; K166-D440 PolarHBondContact NZ-OD2 3.44Å; K166-D440 PolarHBondContact O-N 2.89Å
167Y96.9Very high90.4Very high4 Ų434.8 Ų34.82%0.01616%0.159CC..EExtended strand (participates in β ladder)trans-117.9114.4168.1-177.8-129.4000108.5S95 R169 Q184 I438 L439 L794 L798S95-Y167 PolarHBondContact OG-OH 3.16Å; Y167-R169 HydrophobicContact CD1-CG 3.57Å; Y167-R169 HydrophobicContact CE1-CG 3.32Å; Y167-R169 HydrophobicContact CG-CG 4.39Å; Y167-Q184 PolarHBondContact N-O 3.23Å; Y167-Q184 PolarHBondContact O-N 2.97Å; Y167-I438 WeakPolarHBondContact CA-O 3.5Å; Y167-L439 HydrophobicContact CD2-CB 3.89Å; Y167-L439 HydrophobicContact CD2-CD1 3.99Å; Y167-L439 HydrophobicContact CE2-CB 4.4Å; Y167-L439 HydrophobicContact CG-CD1 4.26Å; Y167-L794 HydrophobicContact CD1-CD1 3.94Å; Y167-L794 HydrophobicContact CD2-CD1 4.24Å; Y167-L794 HydrophobicContact CE1-CD1 4.25Å; Y167-L794 HydrophobicContact CG-CD1 3.92Å; Y167-L798 HydrophobicContact CE2-CD2 4.11Å
168I96.3Very high91.1Very high4 Ų432.5 Ų32.52%0.02115%0.149CC..EExtended strand (participates in β ladder)trans-98.9115.6179.9-55.3170.5000107.2T110 L114 L140 K166 L170 L183 G437 I438T110-I168 HydrophobicContact CG2-CD1 4.24Å; L114-I168 HydrophobicContact CD1-CG2 4.36Å; L114-I168 HydrophobicContact CD2-CD1 4.25Å; L140-I168 HydrophobicContact CD2-CG2 4.45Å; K166-I168 HydrophobicContact CD-CD1 4.26Å; K166-I168 HydrophobicContact CD-CG1 4.48Å; I168-L170 HydrophobicContact CG2-CD2 3.86Å; I168-L170 HydrophobicContact CG2-CG 4.3Å; I168-L183 HydrophobicContact CG1-CD1 3.88Å; I168-G437 CarbonylContact O-C 3.53Å; I168-G437 WeakPolarHBondContact O-CA 3.3Å; I168-I438 HydrophobicContact CB-CB 4.37Å; I168-I438 PolarHBondContact N-O 3.28Å; I168-I438 PolarHBondContact O-N 2.63Å
169R95.3Very high91.6Very high57 Ų5732.1 Ų32.122%0.21515%0.148CC..EExtended strand (participates in β ladder)trans-100.8121.1178.6-59.1173.367.1-168.2-4.2108.3Y167 A181 K182 E435Y167-R169 HydrophobicContact CD1-CG 3.57Å; Y167-R169 HydrophobicContact CE1-CG 3.32Å; Y167-R169 HydrophobicContact CG-CG 4.39Å; R169-A181 CarbonylContact O-C 3.58Å; R169-A181 WeakPolarHBondContact O-CA 3.49Å; R169-A181 WeakPolarHBondContact O-CB 3.37Å; R169-K182 HydrophobicContact CB-CB 4.33Å; R169-K182 PolarHBondContact N-O 2.9Å; R169-K182 PolarHBondContact O-N 3.41Å; R169-E435 WeakPolarHBondContact CB-OE1 3.27Å; R169-E435 VanDerWaalsContact CG-OE1 3.32Å; R169-E435 WeakPolarHBondContact CG-OE1 3.46Å; R169-E435 IonicContact CZ-OE1 3.85Å; R169-E435 IonicContact CZ-OE2 3.42Å; R169-E435 IonicContact NE-OE1 2.93Å; R169-E435 PolarHBondContact NE-OE1 2.78Å; R169-E435 IonicContact NE-OE2 3Å; R169-E435 IonicContact NH2-OE1 2.71Å; R169-E435 PolarHBondContact NH2-OE1 2.93Å; R169-E435 IonicContact NH2-OE2 2.6Å; R169-E435 PolarHBondContact NH2-OE2 3.49Å
170L95.2Very high92Very high0 Ų027 Ų270%013%0.125CC..EExtended strand (participates in β ladder)trans-110.2122.1179.4-59.4-179.3000108.8L114 L117 L140 I168 Y172 L178 A181 E435 L436 I438L114-L170 HydrophobicContact CD1-CD1 4.29Å; L114-L170 HydrophobicContact CD1-CD2 4.28Å; L117-L170 HydrophobicContact CB-CD1 4.36Å; L117-L170 HydrophobicContact CD1-CD1 3.73Å; L140-L170 HydrophobicContact CD1-CD2 3.66Å; L140-L170 HydrophobicContact CD2-CD2 4.48Å; I168-L170 HydrophobicContact CG2-CD2 3.86Å; I168-L170 HydrophobicContact CG2-CG 4.3Å; L170-Y172 HydrophobicContact CB-CD2 4.46Å; L170-Y172 HydrophobicContact CB-CE2 3.75Å; L170-L178 HydrophobicContact CB-CD1 3.67Å; L170-L178 HydrophobicContact CD2-CD1 3.96Å; L170-L178 HydrophobicContact CD2-CD2 4.49Å; L170-L178 HydrophobicContact CG-CD1 4.31Å; L170-A181 HydrophobicContact CD2-CB 3.83Å; L170-E435 WeakPolarHBondContact O-CA 3.24Å; L170-L436 HydrophobicContact CB-CB 4.43Å; L170-L436 WeakPolarHBondContact CB-O 3.39Å; L170-L436 HydrophobicContact CD1-CD2 4.42Å; L170-L436 PolarHBondContact N-O 3.02Å; L170-L436 PolarHBondContact O-N 2.81Å; L170-I438 HydrophobicContact CD1-CD1 4.1Å
171L93.5Very high92.2Very high8 Ų824.8 Ų24.84%0.04211%0.113CC..EExtended strand (participates in β ladder)trans-101.9126.1-177.6-59.5-176.3000110.2V179 A180 F426 T429 V432 E435L171-V179 HydrophobicContact CB-CG2 4.34Å; L171-V179 WeakPolarHBondContact O-CG2 3.36Å; L171-V179 PolarHBondContact O-N 3.3Å; L171-A180 HydrophobicContact CB-CB 4.16Å; L171-A180 WeakPolarHBondContact CB-O 3.48Å; L171-A180 HydrophobicContact CD1-CB 3.96Å; L171-A180 HydrophobicContact CG-CB 4.44Å; L171-A180 PolarHBondContact N-O 3.28Å; L171-F426 HydrophobicContact CD1-CD2 3.71Å; L171-F426 HydrophobicContact CD1-CE2 3.57Å; L171-F426 HydrophobicContact CD1-CZ 4.48Å; L171-F426 HydrophobicContact CG-CD2 4.47Å; L171-F426 HydrophobicContact CG-CE2 4.21Å; L171-T429 HydrophobicContact CD1-CG2 4.35Å; L171-V432 HydrophobicContact CB-CG1 3.9Å; L171-V432 HydrophobicContact CB-CG2 4.03Å; L171-V432 HydrophobicContact CD1-CG1 4.32Å; L171-V432 HydrophobicContact CD1-CG2 4.16Å; L171-V432 HydrophobicContact CD2-CG1 4.15Å; L171-V432 HydrophobicContact CG-CG1 4.35Å; L171-E435 HydrophobicContact CD2-CB 3.93Å; L171-E435 HydrophobicContact CD2-CG 3.9Å
172Y92.2Very high92.4Very high2 Ų227.1 Ų27.11%0.00812%0.122CC..EExtended strand (participates in β ladder)trans-113.5145.4-176.7-71.3-91.2000112L84 L87 L170 I177 L178 V433 S434 L436L84-Y172 HydrophobicContact CD2-CE1 3.91Å; L84-Y172 HydrophobicContact CD2-CE2 4.35Å; L87-Y172 HydrophobicContact CD2-CD2 3.63Å; L87-Y172 HydrophobicContact CD2-CE2 4.29Å; L87-Y172 HydrophobicContact CD2-CG 3.82Å; L170-Y172 HydrophobicContact CB-CD2 4.46Å; L170-Y172 HydrophobicContact CB-CE2 3.75Å; Y172-I177 WeakPolarHBondContact CA-O 3.41Å; Y172-L178 HydrophobicContact CE1-CB 4.31Å; Y172-L178 HydrophobicContact CE2-CD1 4.38Å; Y172-V433 PolarHBondContact O-N 3.47Å; Y172-S434 PolarHBondContact N-O 3.46Å; Y172-S434 PolarHBondContact O-N 3.2Å; Y172-L436 HydrophobicContact CD2-CB 4.29Å; Y172-L436 HydrophobicContact CE2-CB 3.83Å; Y172-L436 HydrophobicContact CE2-CD1 4.48Å
173D89.2Confident92.5Very high33 Ų3326.7 Ų26.718%0.17612%0.118CC..EExtended strand (participates in β ladder)trans-84.2-178.2169.673.61.2000112.6N175 Q176 I177 V179D173-N175 PolarHBondContact O-N 3.45Å; D173-N175 VanDerWaalsContact O-N 3.15Å; D173-N175 VanDerWaalsContact OD1-C 3.29Å; D173-N175 VanDerWaalsContact OD1-CA 3.31Å; D173-N175 WeakPolarHBondContact OD1-CA 3.41Å; D173-N175 WeakPolarHBondContact OD1-CB 3.27Å; D173-N175 PolarHBondContact OD1-N 2.86Å; D173-Q176 PolarHBondContact O-N 3.49Å; D173-Q176 VanDerWaalsContact O-N 3.09Å; D173-Q176 PolarHBondContact OD1-N 3.29Å; D173-I177 PolarHBondContact N-O 2.88Å; D173-I177 VanDerWaalsContact N-O 3.1Å; D173-I177 PolarHBondContact OD1-N 2.94Å; D173-V179 HydrophobicContact CB-CG1 3.83Å
174R87.1Confident92.5Very high218 Ų21830.5 Ų30.582%0.82314%0.136SC*.THydrogen-bonded Turntrans-60.1-22.9176.8-67-177-179174.42.1113.6Q176 V433R174-Q176 VanDerWaalsContact C-N 3.33Å; R174-V433 HydrophobicContact CB-CG2 4.21Å; R174-V433 HydrophobicContact CG-CG2 3.3Å
175N87.3Confident92.5Very high82 Ų8231.4 Ų31.444%0.43914%0.141SC..THydrogen-bonded Turntrans-93.66.4-178.1-67.9-16.9000112.3Q128 D173 I177Q128-N175 PolarHBondContact OE1-ND2 2.94Å; D173-N175 PolarHBondContact O-N 3.45Å; D173-N175 VanDerWaalsContact O-N 3.15Å; D173-N175 VanDerWaalsContact OD1-C 3.29Å; D173-N175 VanDerWaalsContact OD1-CA 3.31Å; D173-N175 WeakPolarHBondContact OD1-CA 3.41Å; D173-N175 WeakPolarHBondContact OD1-CB 3.27Å; D173-N175 PolarHBondContact OD1-N 2.86Å; N175-I177 HydrophobicContact CB-CD1 4.18Å; N175-I177 HydrophobicContact CB-CG1 4.25Å; N175-I177 PolarHBondContact O-N 3.38Å
176Q87.9Confident92.4Very high40 Ų4032.1 Ų32.119%0.18714%0.144CC..SBendtrans57.336.3-174.3-56.9173.8-48.600112.9L84 S88 K124 D173 R174L84-Q176 PolarHBondContact O-NE2 2.9Å; S88-Q176 PolarHBondContact OG-NE2 3.45Å; S88-Q176 VanDerWaalsContact OG-NE2 3.08Å; K124-Q176 HydrophobicContact CD-CB 4.24Å; D173-Q176 PolarHBondContact O-N 3.49Å; D173-Q176 VanDerWaalsContact O-N 3.09Å; D173-Q176 PolarHBondContact OD1-N 3.29Å; R174-Q176 VanDerWaalsContact C-N 3.33Å
177I89.7Confident92.1Very high3 Ų333.5 Ų33.52%0.01515%0.151CC..  trans-98.8138.1170.6-63.4174.6000108.3K124 R125 Y172 D173 N175 V179K124-I177 HydrophobicContact CB-CG1 4.04Å; R125-I177 HydrophobicContact CB-CD1 4.19Å; R125-I177 HydrophobicContact CB-CG2 4.21Å; Y172-I177 WeakPolarHBondContact CA-O 3.41Å; D173-I177 PolarHBondContact N-O 2.88Å; D173-I177 VanDerWaalsContact N-O 3.1Å; D173-I177 PolarHBondContact OD1-N 2.94Å; N175-I177 HydrophobicContact CB-CD1 4.18Å; N175-I177 HydrophobicContact CB-CG1 4.25Å; N175-I177 PolarHBondContact O-N 3.38Å; I177-V179 PolarHBondContact O-N 3.32Å
178L90.5Very high91.9Very high1 Ų133.8 Ų33.81%0.00515%0.153CC..EExtended strand (participates in β ladder)trans-69.7117.1175.3-17670.7000109.7S121 R125 I136 E137 L140 L170 Y172 A180S121-L178 VanDerWaalsContact OG-CB 3.23Å; S121-L178 WeakPolarHBondContact OG-CB 3.27Å; S121-L178 PolarHBondContact OG-N 3.35Å; R125-L178 PolarHBondContact NH2-O 3.04Å; I136-L178 HydrophobicContact CG2-CD2 3.98Å; I136-L178 HydrophobicContact CG2-CG 4.35Å; E137-L178 HydrophobicContact CG-CD2 4.21Å; L140-L178 HydrophobicContact CD1-CD2 3.58Å; L170-L178 HydrophobicContact CB-CD1 3.67Å; L170-L178 HydrophobicContact CD2-CD1 3.96Å; L170-L178 HydrophobicContact CD2-CD2 4.49Å; L170-L178 HydrophobicContact CG-CD1 4.31Å; Y172-L178 HydrophobicContact CE1-CB 4.31Å; Y172-L178 HydrophobicContact CE2-CD1 4.38Å; L178-A180 WeakPolarHBondContact CD1-O 3.27Å
179V89.1Confident91.8Very high35 Ų3534 Ų3421%0.21215%0.154CC..EExtended strand (participates in β ladder)trans-106.9-25.3-178-68.80000113.8I136 L171 D173 I177 V432I136-V179 WeakPolarHBondContact CD1-O 3.49Å; L171-V179 HydrophobicContact CB-CG2 4.34Å; L171-V179 WeakPolarHBondContact O-CG2 3.36Å; L171-V179 PolarHBondContact O-N 3.3Å; D173-V179 HydrophobicContact CB-CG1 3.83Å; I177-V179 PolarHBondContact O-N 3.32Å; V179-V432 HydrophobicContact CG2-CG2 3.62Å
180A91.4Very high91.6Very high0 Ų033.2 Ų33.20%015%0.152CC..EExtended strand (participates in β ladder)trans-159.9162.2178.800000110.4L171 L178 L424L171-A180 HydrophobicContact CB-CB 4.16Å; L171-A180 WeakPolarHBondContact CB-O 3.48Å; L171-A180 HydrophobicContact CD1-CB 3.96Å; L171-A180 HydrophobicContact CG-CB 4.44Å; L171-A180 PolarHBondContact N-O 3.28Å; L178-A180 WeakPolarHBondContact CD1-O 3.27Å; A180-L424 WeakPolarHBondContact CA-O 3.47Å
181A93.5Very high91.4Very high0 Ų035.2 Ų35.20%017%0.165CC..EExtended strand (participates in β ladder)trans-147.1162.9173.400000112.3L140 R169 L170 L424L140-A181 HydrophobicContact CD1-CB 3.92Å; L140-A181 HydrophobicContact CD2-CB 3.82Å; L140-A181 HydrophobicContact CG-CB 4.23Å; R169-A181 CarbonylContact O-C 3.58Å; R169-A181 WeakPolarHBondContact O-CA 3.49Å; R169-A181 WeakPolarHBondContact O-CB 3.37Å; L170-A181 HydrophobicContact CD2-CB 3.83Å; A181-L424 HydrophobicContact CB-CB 4.23Å; A181-L424 HydrophobicContact CB-CD1 4.13Å; A181-L424 HydrophobicContact CB-CD2 4.28Å; A181-L424 HydrophobicContact CB-CG 4.45Å; A181-L424 PolarHBondContact N-O 3.22Å; A181-L424 WeakPolarHBondContact O-CB 3.49Å
182K94Very high91.5Very high56 Ų5636.7 Ų36.724%0.24317%0.17CC..EExtended strand (participates in β ladder)trans-143.3132.3174.2176.4169.1-173.6164.80111.8R169 F426R169-K182 HydrophobicContact CB-CB 4.33Å; R169-K182 PolarHBondContact N-O 2.9Å; R169-K182 PolarHBondContact O-N 3.41Å; K182-F426 HydrophobicContact CB-CB 4.36Å; K182-F426 HydrophobicContact CB-CD2 3.37Å; K182-F426 HydrophobicContact CB-CE2 3.65Å; K182-F426 HydrophobicContact CB-CG 3.83Å; K182-F426 HydrophobicContact CB-CZ 4.36Å; K182-F426 HydrophobicContact CD-CD1 3.8Å; K182-F426 HydrophobicContact CD-CD2 4.03Å; K182-F426 HydrophobicContact CD-CE1 3.7Å; K182-F426 HydrophobicContact CD-CE2 3.9Å; K182-F426 HydrophobicContact CD-CG 3.95Å; K182-F426 HydrophobicContact CD-CZ 3.75Å; K182-F426 HydrophobicContact CG-CD2 4.32Å; K182-F426 HydrophobicContact CG-CE2 4.45Å; K182-F426 HydrophobicContact CG-CG 4.42Å
183L94.7Very high91.6Very high6 Ų636.6 Ų36.63%0.03117%0.17CC..EExtended strand (participates in β ladder)trans-99.2114.8173.1-179.570.1000109.6L147 K166 I168 I185 V417 N421L147-L183 HydrophobicContact CD1-CD1 4.23Å; L147-L183 HydrophobicContact CD1-CD2 3.46Å; L147-L183 VanDerWaalsContact CD1-CD2 3.46Å; L147-L183 HydrophobicContact CD1-CG 4.48Å; L147-L183 HydrophobicContact CD2-CD2 3.94Å; L147-L183 HydrophobicContact CG-CD2 4.25Å; K166-L183 HydrophobicContact CB-CD1 4.03Å; K166-L183 HydrophobicContact CD-CD1 4.37Å; I168-L183 HydrophobicContact CG1-CD1 3.88Å; L183-I185 HydrophobicContact CD1-CD1 3.89Å; L183-I185 HydrophobicContact CD2-CD1 4Å; L183-I185 HydrophobicContact CG-CD1 3.73Å; L183-I185 HydrophobicContact CG-CG1 4.39Å; L183-V417 HydrophobicContact CD2-CG1 4.19Å; L183-V417 HydrophobicContact CD2-CG2 4.42Å; L183-V417 HydrophobicContact CG-CG1 4.48Å; L183-N421 WeakPolarHBondContact CB-OD1 3.02Å; L183-N421 PolarHBondContact N-OD1 3.5Å; L183-N421 PolarHBondContact O-ND2 3.09Å; L183-N421 PolarHBondContact O-OD1 3.16Å
184Q94.2Very high91.9Very high80 Ų8036.5 Ų36.537%0.37417%0.17SC..EExtended strand (participates in β ladder)trans-108.8123.9175.4-172.877.26.500109.5K166 Y167 Y186K166-Q184 CarbonylContact C-O 3.56Å; K166-Q184 WeakPolarHBondContact CA-O 3.43Å; Y167-Q184 PolarHBondContact N-O 3.23Å; Y167-Q184 PolarHBondContact O-N 2.97Å; Q184-Y186 HydrophobicContact CB-CE2 4.27Å; Q184-Y186 HydrophobicContact CG-CE2 3.87Å; Q184-Y186 WeakPolarHBondContact CG-OH 3.41Å
185I94.5Very high92.3Very high22 Ų2226.6 Ų26.611%0.11313%0.133CC..EExtended strand (participates in β ladder)trans-103.2143.9-178.3-53.1-57.5000111.7F164 G165 K166 L183 F413 V417F164-I185 HydrophobicContact CB-CG2 3.82Å; F164-I185 HydrophobicContact CD2-CD1 3.73Å; F164-I185 HydrophobicContact CD2-CG2 3.69Å; F164-I185 HydrophobicContact CE2-CD1 3.74Å; F164-I185 HydrophobicContact CG-CG2 4.1Å; G165-I185 CarbonylContact O-C 3.54Å; G165-I185 WeakPolarHBondContact O-CA 3.33Å; K166-I185 HydrophobicContact CB-CD1 3.83Å; L183-I185 HydrophobicContact CD1-CD1 3.89Å; L183-I185 HydrophobicContact CD2-CD1 4Å; L183-I185 HydrophobicContact CG-CD1 3.73Å; L183-I185 HydrophobicContact CG-CG1 4.39Å; I185-F413 HydrophobicContact CB-CE1 4.29Å; I185-F413 HydrophobicContact CG1-CE1 4.09Å; I185-F413 HydrophobicContact CG1-CZ 4.43Å; I185-F413 HydrophobicContact CG2-CE1 3.7Å; I185-F413 HydrophobicContact CG2-CZ 4.15Å; I185-V417 HydrophobicContact CD1-CG2 4.48Å; I185-V417 HydrophobicContact CG1-CB 4.49Å; I185-V417 HydrophobicContact CG1-CG1 3.94Å; I185-V417 HydrophobicContact CG1-CG2 3.73Å
186Y92.8Very high92.4Very high16 Ų1624.9 Ų24.96%0.06313%0.126CC..EExtended strand (participates in β ladder)trans-123.7126178.4-59.2-90.8000110.2G165 Q184 L441 F442 L794G165-Y186 PolarHBondContact N-O 3.1Å; G165-Y186 PolarHBondContact O-N 3.01Å; Q184-Y186 HydrophobicContact CB-CE2 4.27Å; Q184-Y186 HydrophobicContact CG-CE2 3.87Å; Q184-Y186 WeakPolarHBondContact CG-OH 3.41Å; Y186-L441 HydrophobicContact CD2-CD2 4.25Å; Y186-L441 HydrophobicContact CG-CD2 4.43Å; Y186-F442 WeakPolarHBondContact O-CZ 3.42Å; Y186-L794 HydrophobicContact CE1-CB 3.99Å; Y186-L794 HydrophobicContact CE1-CD2 4.2Å; Y186-L794 HydrophobicContact CE2-CD2 4.22Å
187L88.7Confident92.2Very high36 Ų3625.4 Ų25.419%0.18813%0.134CC..  trans47.981.5171.1-172.770.8000115.2E189 F442 C456 I457 V783 F787L187-E189 PolarHBondContact O-N 3.36Å; L187-F442 HydrophobicContact CB-CE2 4.18Å; L187-F442 HydrophobicContact CB-CZ 3.98Å; L187-F442 HydrophobicContact CD2-CE2 4.37Å; L187-F442 HydrophobicContact CD2-CZ 4.32Å; L187-F442 HydrophobicContact CG-CZ 4.39Å; L187-F442 WeakPolarHBondContact O-CZ 3.44Å; L187-C456 HydrophobicContact CD2-CB 3.67Å; L187-I457 HydrophobicContact CD2-CG1 4.42Å; L187-V783 HydrophobicContact CD1-CG1 4.19Å; L187-F787 HydrophobicContact CB-CD2 3.55Å; L187-F787 HydrophobicContact CB-CE2 3.43Å; L187-F787 VanDerWaalsContact CB-CE2 3.43Å; L187-F787 HydrophobicContact CB-CZ 4.34Å; L187-F787 HydrophobicContact CD1-CD2 4.21Å; L187-F787 HydrophobicContact CD1-CG 4.45Å; L187-F787 HydrophobicContact CD2-CD1 4.5Å; L187-F787 HydrophobicContact CD2-CD2 4.02Å; L187-F787 HydrophobicContact CD2-CE1 4.28Å; L187-F787 HydrophobicContact CD2-CE2 3.74Å; L187-F787 HydrophobicContact CD2-CG 4.35Å; L187-F787 HydrophobicContact CD2-CZ 3.85Å; L187-F787 HydrophobicContact CG-CD2 4.15Å; L187-F787 HydrophobicContact CG-CE2 4.13Å
188L93.7Very high91.9Very high11 Ų1130 Ų306%0.05816%0.155CC..  trans-69.2131.4164.3-176.369.3000110F164 K190 F204 Y409 F413F164-L188 HydrophobicContact CB-CD1 4.19Å; L188-K190 WeakPolarHBondContact O-CG 3.4Å; L188-K190 PolarHBondContact O-N 3.3Å; L188-F204 HydrophobicContact CD1-CE1 3.76Å; L188-F204 HydrophobicContact CD1-CZ 3.62Å; L188-F204 HydrophobicContact CG-CZ 3.97Å; L188-Y409 HydrophobicContact CD2-CD1 4.17Å; L188-Y409 HydrophobicContact CD2-CE1 4.19Å; L188-F413 HydrophobicContact CD1-CD1 4.37Å; L188-F413 HydrophobicContact CD1-CD2 4.11Å; L188-F413 HydrophobicContact CD1-CE1 4.37Å; L188-F413 HydrophobicContact CD1-CE2 4.12Å; L188-F413 HydrophobicContact CD1-CG 4.25Å; L188-F413 HydrophobicContact CD1-CZ 4.25Å; L188-F413 HydrophobicContact CD2-CB 3.74Å; L188-F413 HydrophobicContact CD2-CD1 3.87Å; L188-F413 HydrophobicContact CD2-CD2 4.24Å; L188-F413 HydrophobicContact CD2-CG 3.67Å
189E92.7Very high91.9Very high9 Ų933 Ų334%0.04217%0.173CC..  trans-72.672.8170.5-82175.5-106.200112.2R163 L187 P191 R192 F204 E453R163-E189 HydrophobicContact CB-CB 4.19Å; R163-E189 IonicContact CZ-OE1 3.31Å; R163-E189 IonicContact CZ-OE2 2.85Å; R163-E189 VanDerWaalsContact NE-CD 3.35Å; R163-E189 IonicContact NE-OE1 3.96Å; R163-E189 PolarHBondContact NE-OE1 2.99Å; R163-E189 IonicContact NE-OE2 3.76Å; R163-E189 PolarHBondContact NE-OE2 2.88Å; R163-E189 IonicContact NH2-OE1 3.78Å; R163-E189 PolarHBondContact NH2-OE1 3.47Å; R163-E189 IonicContact NH2-OE2 3.19Å; R163-E189 PolarHBondContact NH2-OE2 3.42Å; R163-E189 PolarHBondContact O-N 3.32Å; L187-E189 PolarHBondContact O-N 3.36Å; E189-P191 WeakPolarHBondContact O-CD 3.45Å; E189-R192 HydrophobicContact CB-CG 4.26Å; E189-R192 WeakPolarHBondContact O-CB 3.36Å; E189-R192 PolarHBondContact O-N 3.25Å; E189-R192 IonicContact OE2-CZ 2.91Å; E189-R192 IonicContact OE2-NE 3.7Å; E189-R192 PolarHBondContact OE2-NE 3.46Å; E189-R192 IonicContact OE2-NH2 2.76Å; E189-R192 PolarHBondContact OE2-NH2 2.91Å; E189-F204 WeakPolarHBondContact O-CZ 3.45Å; E189-E453 HydrophobicContact CG-CB 4.13Å; E189-E453 HydrophobicContact CG-CG 4.14Å
190K91.5Very high91.9Very high39 Ų3932.2 Ų32.217%0.1717%0.168CC..G310 helixtrans-45.5-38.5178.8-46.4-179.4-167.4174.90114.2L188 R192 A193 K406 N410 D664L188-K190 WeakPolarHBondContact O-CG 3.4Å; L188-K190 PolarHBondContact O-N 3.3Å; K190-R192 PolarHBondContact O-N 3.49Å; K190-R192 VanDerWaalsContact O-N 3.08Å; K190-A193 WeakPolarHBondContact O-CB 3.21Å; K190-A193 PolarHBondContact O-N 3.48Å; K190-K406 HydrophobicContact CB-CB 4.2Å; K190-K406 HydrophobicContact CB-CG 4.14Å; K190-N410 HydrophobicContact CD-CB 4.1Å; K190-N410 VanDerWaalsContact CE-OD1 3.24Å; K190-N410 WeakPolarHBondContact CE-OD1 3.46Å; K190-N410 HydrophobicContact CG-CB 4.31Å; K190-D664 IonicContact NZ-OD1 3.63Å; K190-D664 PolarHBondContact NZ-OD1 2.98Å; K190-D664 IonicContact NZ-OD2 2.67Å; K190-D664 PolarHBondContact NZ-OD2 3.29Å
191P91.9Very high91.8Very high43 Ų4337.4 Ų37.428%0.27919%0.191SC..G310 helixtrans-57.6-23179.7-26.436.6000115E189 A193 V194 E453E189-P191 WeakPolarHBondContact O-CD 3.45Å; P191-A193 PolarHBondContact O-N 3.49Å; P191-V194 PolarHBondContact O-N 2.96Å; P191-V194 VanDerWaalsContact O-O 3.07Å; P191-E453 WeakPolarHBondContact CG-OE1 3.48Å
192R94Very high91.6Very high39 Ų3939.2 Ų39.215%0.14720%0.203CC..G310 helixtrans-68.6-15176.2-66.6179.4176.9-87.3-0.7113.8R163 E189 K190 V194 S202 S203 F204R163-R192 VanDerWaalsContact NE-NH2 3.2Å; R163-R192 VanDerWaalsContact NH2-NH2 3.17Å; E189-R192 HydrophobicContact CB-CG 4.26Å; E189-R192 WeakPolarHBondContact O-CB 3.36Å; E189-R192 PolarHBondContact O-N 3.25Å; E189-R192 IonicContact OE2-CZ 2.91Å; E189-R192 IonicContact OE2-NE 3.7Å; E189-R192 PolarHBondContact OE2-NE 3.46Å; E189-R192 IonicContact OE2-NH2 2.76Å; E189-R192 PolarHBondContact OE2-NH2 2.91Å; K190-R192 PolarHBondContact O-N 3.49Å; K190-R192 VanDerWaalsContact O-N 3.08Å; R192-V194 PolarHBondContact O-N 3.29Å; R192-S202 PolarHBondContact NH1-O 3.06Å; R192-S203 WeakPolarHBondContact O-CA 3.26Å; R192-S203 VanDerWaalsContact O-CB 3.27Å; R192-S203 WeakPolarHBondContact O-CB 3.44Å; R192-F204 HydrophobicContact CB-CD2 3.97Å; R192-F204 HydrophobicContact CB-CE1 4.39Å; R192-F204 HydrophobicContact CB-CE2 3.63Å; R192-F204 HydrophobicContact CB-CG 4.49Å; R192-F204 HydrophobicContact CB-CZ 3.87Å
193A96.2Very high91.6Very high0 Ų036.7 Ų36.70%019%0.193CC..G310 helixtrans-75.6-11.4170.600000112.8K190 P191 F195 F204 F207 N279 V405 Y409K190-A193 WeakPolarHBondContact O-CB 3.21Å; K190-A193 PolarHBondContact O-N 3.48Å; P191-A193 PolarHBondContact O-N 3.49Å; A193-F195 WeakPolarHBondContact O-CE1 3.45Å; A193-F204 HydrophobicContact CB-CD2 4.38Å; A193-F204 HydrophobicContact CB-CE2 4.26Å; A193-F207 HydrophobicContact CB-CE2 4.43Å; A193-F207 HydrophobicContact CB-CZ 4.42Å; A193-N279 PolarHBondContact O-ND2 2.8Å; A193-V405 HydrophobicContact CB-CG1 4.29Å; A193-V405 VanDerWaalsContact O-CG1 3.32Å; A193-V405 WeakPolarHBondContact O-CG1 3.45Å; A193-Y409 HydrophobicContact CB-CD1 3.79Å; A193-Y409 HydrophobicContact CB-CD2 4.26Å; A193-Y409 HydrophobicContact CB-CG 3.61Å
194V94.9Very high91.8Very high30 Ų3036.4 Ų36.418%0.18219%0.191CC..SBendtrans-109.8119.2176.9179.40000108.7P191 R192 D402 V405 K406P191-V194 PolarHBondContact O-N 2.96Å; P191-V194 VanDerWaalsContact O-O 3.07Å; R192-V194 PolarHBondContact O-N 3.29Å; V194-D402 HydrophobicContact CG1-CB 4.21Å; V194-D402 WeakPolarHBondContact CG1-OD1 3.46Å; V194-D402 HydrophobicContact CG2-CB 4.04Å; V194-V405 HydrophobicContact CG2-CB 4.12Å; V194-V405 HydrophobicContact CG2-CG1 3.85Å; V194-K406 HydrophobicContact CG2-CD 4.46Å; V194-K406 HydrophobicContact CG2-CG 3.92Å
195F94.2Very high91.9Very high10 Ų1033 Ų334%0.04418%0.175CC..  trans-151.3161.1-17450.1-97.9000112.6A193 L200 F207 Y229 L276 N279A193-F195 WeakPolarHBondContact O-CE1 3.45Å; F195-L200 HydrophobicContact CD2-CB 4.2Å; F195-L200 HydrophobicContact CD2-CD1 3.67Å; F195-L200 HydrophobicContact CE1-CD1 4.42Å; F195-L200 HydrophobicContact CE2-CD1 3.38Å; F195-L200 HydrophobicContact CG-CD1 4.32Å; F195-L200 HydrophobicContact CZ-CD1 3.78Å; F195-F207 HydrophobicContact CD1-CD2 4.48Å; F195-F207 HydrophobicContact CE1-CB 4.32Å; F195-F207 HydrophobicContact CE1-CD1 4.2Å; F195-F207 AromaticContact CE1-CD2 3.52Å; F195-F207 HydrophobicContact CE1-CD2 3.52Å; F195-F207 HydrophobicContact CE1-CE1 4.4Å; F195-F207 AromaticContact CE1-CE2 3.75Å; F195-F207 HydrophobicContact CE1-CE2 3.75Å; F195-F207 AromaticContact CE1-CG 3.75Å; F195-F207 HydrophobicContact CE1-CG 3.75Å; F195-F207 HydrophobicContact CE1-CZ 4.19Å; F195-F207 HydrophobicContact CZ-CB 4.06Å; F195-F207 HydrophobicContact CZ-CD1 4.06Å; F195-F207 HydrophobicContact CZ-CD2 4.07Å; F195-F207 AromaticContact CZ-CG 3.8Å; F195-F207 HydrophobicContact CZ-CG 3.8Å; F195-Y229 HydrophobicContact CD2-CE1 4.1Å; F195-Y229 HydrophobicContact CE2-CE1 4.19Å; F195-Y229 HydrophobicContact CE2-CE2 4.05Å; F195-Y229 AromaticContact CE2-CZ 3.86Å; F195-Y229 PolarHBondContact O-OH 3.45Å; F195-L276 HydrophobicContact CE2-CD2 3.93Å; F195-L276 HydrophobicContact CZ-CD2 3.75Å; F195-N279 HydrophobicContact CD2-CB 4.49Å; F195-N279 WeakPolarHBondContact CE1-ND2 3.47Å; F195-N279 HydrophobicContact CE2-CB 4.29Å; F195-N279 VanDerWaalsContact CZ-ND2 3.32Å; F195-N279 WeakPolarHBondContact CZ-ND2 3.29Å
196T89.3Confident92Very high47 Ų4732 Ų3229%0.28817%0.17SC..  trans-106.2174.5169.868.50000109.9Q198 T199 L200T196-Q198 PolarHBondContact O-N 2.87Å; T196-Q198 PolarHBondContact OG1-N 3.14Å; T196-Q198 PolarHBondContact OG1-OE1 3.45Å; T196-T199 PolarHBondContact N-OG1 3.01Å; T196-T199 PolarHBondContact O-N 2.93Å; T196-T199 PolarHBondContact O-OG1 2.89Å; T196-T199 PolarHBondContact OG1-N 3.34Å; T196-T199 PolarHBondContact OG1-OG1 2.84Å; T196-L200 PolarHBondContact O-N 3.42Å
197S84.9Confident92.1Very high50 Ų5031.2 Ų31.235%0.3517%0.167SC..THydrogen-bonded Turntrans-61.1-33.1179.8-49.70000111.8T199S197-T199 VanDerWaalsContact C-N 3.34Å
198Q83.9Confident92.3Very high101 Ų10131.1 Ų31.147%0.47216%0.164SC..THydrogen-bonded Turntrans-77.4-15.6176.8-52.287.2-8.700113.6T196 F201T196-Q198 PolarHBondContact O-N 2.87Å; T196-Q198 PolarHBondContact OG1-N 3.14Å; T196-Q198 PolarHBondContact OG1-OE1 3.45Å; Q198-F201 WeakPolarHBondContact O-CD1 3.42Å; Q198-F201 WeakPolarHBondContact O-CE1 3.37Å
199T89.1Confident92.3Very high63 Ų6331.2 Ų31.239%0.38716%0.164SC..THydrogen-bonded Turntrans-115.3-1.9-176.951.50000113.2T196 S197 F201 S202 S203T196-T199 PolarHBondContact N-OG1 3.01Å; T196-T199 PolarHBondContact O-N 2.93Å; T196-T199 PolarHBondContact O-OG1 2.89Å; T196-T199 PolarHBondContact OG1-N 3.34Å; T196-T199 PolarHBondContact OG1-OG1 2.84Å; S197-T199 VanDerWaalsContact C-N 3.34Å; T199-F201 PolarHBondContact O-N 3.22Å; T199-S202 WeakPolarHBondContact O-CA 3.45Å; T199-S202 WeakPolarHBondContact O-CB 3.48Å; T199-S202 PolarHBondContact O-N 3.03Å; T199-S203 PolarHBondContact O-N 3.06Å
200L90.3Very high92.5Very high19 Ų1930.9 Ų30.910%0.09916%0.162CC..G310 helixtrans-53.1-38.2177.3176.366.6000112.7F195 T196 S202 S203 F207 L211 Y229F195-L200 HydrophobicContact CD2-CB 4.2Å; F195-L200 HydrophobicContact CD2-CD1 3.67Å; F195-L200 HydrophobicContact CE1-CD1 4.42Å; F195-L200 HydrophobicContact CE2-CD1 3.38Å; F195-L200 HydrophobicContact CG-CD1 4.32Å; F195-L200 HydrophobicContact CZ-CD1 3.78Å; T196-L200 PolarHBondContact O-N 3.42Å; L200-S202 PolarHBondContact O-N 3.21Å; L200-S203 VanDerWaalsContact O-CB 3.25Å; L200-S203 WeakPolarHBondContact O-CB 3.32Å; L200-S203 PolarHBondContact O-N 3.36Å; L200-S203 PolarHBondContact O-OG 3.16Å; L200-F207 HydrophobicContact CD1-CB 4.14Å; L200-L211 HydrophobicContact CD1-CD1 4.36Å; L200-L211 HydrophobicContact CD2-CD1 3.85Å; L200-Y229 HydrophobicContact CD2-CD1 4.1Å; L200-Y229 HydrophobicContact CD2-CG 4.26Å
201F87.8Confident92.5Very high109 Ų10929.4 Ų29.448%0.47816%0.156SC..G310 helixtrans-62.5-26.617868.1-99000113Q154 Q198 T199Q154-F201 WeakPolarHBondContact CB-O 3.41Å; Q198-F201 WeakPolarHBondContact O-CD1 3.42Å; Q198-F201 WeakPolarHBondContact O-CE1 3.37Å; T199-F201 PolarHBondContact O-N 3.22Å
202S90.2Very high92.3Very high37 Ų3729.5 Ų29.526%0.25915%0.153SC..G310 helixtrans-90.7-1.4176.6-64.20000113.5R192 T199 L200R192-S202 PolarHBondContact NH1-O 3.06Å; T199-S202 WeakPolarHBondContact O-CA 3.45Å; T199-S202 WeakPolarHBondContact O-CB 3.48Å; T199-S202 PolarHBondContact O-N 3.03Å; L200-S202 PolarHBondContact O-N 3.21Å
203S94.8Very high92.2Very high3 Ų328.9 Ų28.92%0.02116%0.155CC..SBendtrans-76.1177.3173.9780000111.7A153 R192 T199 L200A153-S203 VanDerWaalsContact CB-O 3.23Å; A153-S203 WeakPolarHBondContact CB-O 3.31Å; R192-S203 WeakPolarHBondContact O-CA 3.26Å; R192-S203 VanDerWaalsContact O-CB 3.27Å; R192-S203 WeakPolarHBondContact O-CB 3.44Å; T199-S203 PolarHBondContact O-N 3.06Å; L200-S203 VanDerWaalsContact O-CB 3.25Å; L200-S203 WeakPolarHBondContact O-CB 3.32Å; L200-S203 PolarHBondContact O-N 3.36Å; L200-S203 PolarHBondContact O-OG 3.16Å
204F97.6Very high91.9Very high0 Ų029.7 Ų29.70%016%0.159CC..BIsolated β-bridgetrans-61.7140.1173.4-64-70.3000111.5L150 N152 R163 L188 E189 R192 A193 V206 F207 Y409L150-F204 WeakPolarHBondContact O-CD1 3.28Å; N152-F204 WeakPolarHBondContact O-CA 3.26Å; R163-F204 HydrophobicContact CB-CE1 4.11Å; L188-F204 HydrophobicContact CD1-CE1 3.76Å; L188-F204 HydrophobicContact CD1-CZ 3.62Å; L188-F204 HydrophobicContact CG-CZ 3.97Å; E189-F204 WeakPolarHBondContact O-CZ 3.45Å; R192-F204 HydrophobicContact CB-CD2 3.97Å; R192-F204 HydrophobicContact CB-CE1 4.39Å; R192-F204 HydrophobicContact CB-CE2 3.63Å; R192-F204 HydrophobicContact CB-CG 4.49Å; R192-F204 HydrophobicContact CB-CZ 3.87Å; A193-F204 HydrophobicContact CB-CD2 4.38Å; A193-F204 HydrophobicContact CB-CE2 4.26Å; F204-V206 HydrophobicContact CB-CG1 4.18Å; F204-V206 PolarHBondContact O-N 3.14Å; F204-V206 VanDerWaalsContact O-N 3.12Å; F204-F207 HydrophobicContact CB-CD2 4.08Å; F204-F207 HydrophobicContact CB-CE2 4.07Å; F204-F207 HydrophobicContact CD2-CE2 4.14Å; F204-F207 WeakPolarHBondContact O-CD2 3.4Å; F204-F207 PolarHBondContact O-N 3.36Å; F204-Y409 WeakPolarHBondContact CB-OH 3.47Å; F204-Y409 HydrophobicContact CD1-CE1 4.48Å; F204-Y409 AromaticContact CD2-CD1 3.97Å; F204-Y409 HydrophobicContact CD2-CD1 3.97Å; F204-Y409 AromaticContact CD2-CE1 3.19Å; F204-Y409 HydrophobicContact CD2-CE1 3.19Å; F204-Y409 HydrophobicContact CD2-CE2 4.33Å; F204-Y409 AromaticContact CD2-CZ 3.39Å; F204-Y409 WeakPolarHBondContact CD2-OH 3.38Å; F204-Y409 HydrophobicContact CE1-CE1 4.5Å; F204-Y409 AromaticContact CE2-CD1 3.75Å; F204-Y409 HydrophobicContact CE2-CD1 3.75Å; F204-Y409 AromaticContact CE2-CE1 3.22Å; F204-Y409 HydrophobicContact CE2-CE1 3.22Å; F204-Y409 AromaticContact CE2-CZ 3.96Å; F204-Y409 AromaticContact CG-CE1 3.87Å; F204-Y409 HydrophobicContact CG-CE1 3.87Å; F204-Y409 AromaticContact CG-CZ 3.78Å; F204-Y409 VanDerWaalsContact CG-OH 3.26Å; F204-Y409 WeakPolarHBondContact CG-OH 3.34Å; F204-Y409 AromaticContact CZ-CE1 3.93Å; F204-Y409 HydrophobicContact CZ-CE1 3.93Å
205H96.1Very high91.7Very high9 Ų930.7 Ų30.74%0.04217%0.167CC..Hα-helixtrans-54.5-36.5-173.9-70.5-34.3000114N152 A153 Q154 E159 N160 F207 R208 W209N152-H205 PolarHBondContact O-CD2 2.99Å; N152-H205 PolarHBondContact O-N 2.96Å; A153-H205 VanDerWaalsContact C-CE1 3.47Å; Q154-H205 PolarHBondContact N-CE1 3.35Å; E159-H205 PolarHBondContact O-CE1 2.79Å; E159-H205 PolarHBondContact O-NE2 3.19Å; N160-H205 PolarHBondContact OD1-NE2 3.48Å; H205-F207 PolarHBondContact O-N 2.99Å; H205-F207 VanDerWaalsContact O-N 3.12Å; H205-R208 PolarHBondContact O-N 3.12Å; H205-R208 VanDerWaalsContact O-N 3.13Å; H205-W209 HydrophobicContact CB-CD2 3.96Å; H205-W209 HydrophobicContact CB-CE3 4.31Å; H205-W209 HydrophobicContact CB-CH2 3.93Å; H205-W209 HydrophobicContact CB-CZ2 3.55Å; H205-W209 HydrophobicContact CB-CZ3 4.31Å; H205-W209 AromaticContact CD2-CZ2 3.94Å; H205-W209 AromaticContact CG-CZ2 3.77Å; H205-W209 VanDerWaalsContact O-CG 3.29Å; H205-W209 PolarHBondContact O-N 3.21Å
206V97.1Very high91.4Very high0 Ų038.2 Ų38.20%020%0.2CC..Hα-helixtrans-49.2-39.4179.868.30000113.2A149 L150 F204 F210 W248 F268 L272 Y409A149-V206 HydrophobicContact CB-CB 4.48Å; A149-V206 WeakPolarHBondContact O-CB 3.24Å; A149-V206 PolarHBondContact O-N 3.22Å; L150-V206 HydrophobicContact CD2-CB 4.02Å; L150-V206 HydrophobicContact CD2-CG1 4.03Å; L150-V206 HydrophobicContact CD2-CG2 3.85Å; F204-V206 HydrophobicContact CB-CG1 4.18Å; F204-V206 PolarHBondContact O-N 3.14Å; F204-V206 VanDerWaalsContact O-N 3.12Å; V206-F210 WeakPolarHBondContact O-CB 3.48Å; V206-F210 PolarHBondContact O-N 2.99Å; V206-W248 HydrophobicContact CG2-CZ3 4.26Å; V206-F268 HydrophobicContact CG2-CE1 4.42Å; V206-F268 HydrophobicContact CG2-CZ 3.77Å; V206-L272 HydrophobicContact CG1-CD2 4.16Å; V206-L272 HydrophobicContact CG2-CD1 3.66Å; V206-L272 HydrophobicContact CG2-CD2 3.96Å; V206-L272 HydrophobicContact CG2-CG 4.47Å; V206-Y409 HydrophobicContact CG1-CE2 4.08Å; V206-Y409 WeakPolarHBondContact CG1-OH 3.43Å
207F96.2Very high91.6Very high0 Ų043.7 Ų43.70%022%0.22CC..Hα-helixtrans-68.1-44.3-176.6-64.5-65.4000111.8A193 F195 L200 F204 H205 L211 L272 I275 L276 Y409A193-F207 HydrophobicContact CB-CE2 4.43Å; A193-F207 HydrophobicContact CB-CZ 4.42Å; F195-F207 HydrophobicContact CD1-CD2 4.48Å; F195-F207 HydrophobicContact CE1-CB 4.32Å; F195-F207 HydrophobicContact CE1-CD1 4.2Å; F195-F207 AromaticContact CE1-CD2 3.52Å; F195-F207 HydrophobicContact CE1-CD2 3.52Å; F195-F207 HydrophobicContact CE1-CE1 4.4Å; F195-F207 AromaticContact CE1-CE2 3.75Å; F195-F207 HydrophobicContact CE1-CE2 3.75Å; F195-F207 AromaticContact CE1-CG 3.75Å; F195-F207 HydrophobicContact CE1-CG 3.75Å; F195-F207 HydrophobicContact CE1-CZ 4.19Å; F195-F207 HydrophobicContact CZ-CB 4.06Å; F195-F207 HydrophobicContact CZ-CD1 4.06Å; F195-F207 HydrophobicContact CZ-CD2 4.07Å; F195-F207 AromaticContact CZ-CG 3.8Å; F195-F207 HydrophobicContact CZ-CG 3.8Å; L200-F207 HydrophobicContact CD1-CB 4.14Å; F204-F207 HydrophobicContact CB-CD2 4.08Å; F204-F207 HydrophobicContact CB-CE2 4.07Å; F204-F207 HydrophobicContact CD2-CE2 4.14Å; F204-F207 WeakPolarHBondContact O-CD2 3.4Å; F204-F207 PolarHBondContact O-N 3.36Å; H205-F207 PolarHBondContact O-N 2.99Å; H205-F207 VanDerWaalsContact O-N 3.12Å; F207-L211 WeakPolarHBondContact O-CB 3.42Å; F207-L211 VanDerWaalsContact O-CG 3.3Å; F207-L211 WeakPolarHBondContact O-CG 3.18Å; F207-L211 PolarHBondContact O-N 2.97Å; F207-L272 HydrophobicContact CD1-CD2 4.25Å; F207-L272 HydrophobicContact CE1-CD2 3.93Å; F207-I275 HydrophobicContact CD1-CG2 4.46Å; F207-I275 HydrophobicContact CE1-CB 3.99Å; F207-I275 HydrophobicContact CE1-CD1 4.35Å; F207-I275 HydrophobicContact CE1-CG2 3.46Å; F207-I275 VanDerWaalsContact CE1-CG2 3.46Å; F207-I275 HydrophobicContact CZ-CB 4.49Å; F207-I275 HydrophobicContact CZ-CD1 4.39Å; F207-I275 HydrophobicContact CZ-CG2 3.65Å; F207-L276 HydrophobicContact CB-CD2 4.45Å; F207-L276 HydrophobicContact CD1-CD2 4.31Å; F207-L276 HydrophobicContact CD1-CG 4.25Å; F207-Y409 HydrophobicContact CE1-CD2 4.36Å; F207-Y409 HydrophobicContact CE1-CE2 4.25Å; F207-Y409 HydrophobicContact CE2-CD2 4.15Å; F207-Y409 AromaticContact CE2-CE2 3.72Å; F207-Y409 HydrophobicContact CE2-CE2 3.72Å; F207-Y409 AromaticContact CZ-CD2 3.48Å; F207-Y409 HydrophobicContact CZ-CD2 3.48Å; F207-Y409 VanDerWaalsContact CZ-CD2 3.48Å; F207-Y409 AromaticContact CZ-CE2 3.38Å; F207-Y409 HydrophobicContact CZ-CE2 3.38Å; F207-Y409 HydrophobicContact CZ-CG 4.39Å
208R92.6Very high91.9Very high34 Ų3443.7 Ų43.713%0.12822%0.216CC..Hα-helixtrans-70.5-45.7179.2-175.5169.367.6800.6111.1H205 F210 L211 E212 S244H205-R208 PolarHBondContact O-N 3.12Å; H205-R208 VanDerWaalsContact O-N 3.13Å; R208-F210 VanDerWaalsContact C-N 3.29Å; R208-F210 PolarHBondContact O-N 2.83Å; R208-L211 PolarHBondContact O-N 3.37Å; R208-E212 WeakPolarHBondContact CD-OE1 3.4Å; R208-E212 HydrophobicContact CG-CG 4.25Å; R208-E212 WeakPolarHBondContact CG-OE1 3.22Å; R208-E212 IonicContact CZ-OE1 3.99Å; R208-E212 IonicContact NH1-OE1 3.09Å; R208-E212 PolarHBondContact NH1-OE1 3.37Å; R208-E212 VanDerWaalsContact NH1-OE1 3.09Å; R208-E212 IonicContact NH1-OE2 3.32Å; R208-E212 PolarHBondContact NH1-OE2 3.16Å; R208-E212 WeakPolarHBondContact O-CB 3.21Å; R208-E212 WeakPolarHBondContact O-CG 3.49Å; R208-E212 PolarHBondContact O-N 3.14Å; R208-S244 PolarHBondContact NH1-OG 3.49Å
209W94.1Very high92.3Very high14 Ų1440.3 Ų40.35%0.05320%0.2CC..Hα-helixtrans-61.6-39.7177.9-62.3-7.8000111.9A149 H205 S213 N247 W248A149-W209 HydrophobicContact CB-CE3 3.95Å; A149-W209 HydrophobicContact CB-CZ3 3.56Å; H205-W209 HydrophobicContact CB-CD2 3.96Å; H205-W209 HydrophobicContact CB-CE3 4.31Å; H205-W209 HydrophobicContact CB-CH2 3.93Å; H205-W209 HydrophobicContact CB-CZ2 3.55Å; H205-W209 HydrophobicContact CB-CZ3 4.31Å; H205-W209 AromaticContact CD2-CZ2 3.94Å; H205-W209 AromaticContact CG-CZ2 3.77Å; H205-W209 VanDerWaalsContact O-CG 3.29Å; H205-W209 PolarHBondContact O-N 3.21Å; W209-S213 WeakPolarHBondContact O-CB 3.5Å; W209-S213 PolarHBondContact O-N 2.98Å; W209-S213 VanDerWaalsContact O-N 3.13Å; W209-S213 PolarHBondContact O-OG 2.96Å; W209-N247 HydrophobicContact CD2-CB 3.76Å; W209-N247 HydrophobicContact CE3-CB 3.84Å; W209-N247 HydrophobicContact CG-CB 4.48Å; W209-N247 HydrophobicContact CH2-CB 3.77Å; W209-N247 HydrophobicContact CZ2-CB 3.67Å; W209-N247 VanDerWaalsContact CZ2-ND2 3.32Å; W209-N247 WeakPolarHBondContact CZ2-ND2 3.39Å; W209-N247 HydrophobicContact CZ3-CB 3.83Å; W209-W248 HydrophobicContact CB-CB 4.31Å; W209-W248 HydrophobicContact CB-CE3 3.86Å
210F95Very high92.4Very high2 Ų242.8 Ų42.81%0.00921%0.209CC..Hα-helixtrans-63-54.9174179.5-126000111.3V206 R208 E212 S213 L214 F222 L224 W248 Y269 L272 S273 L276V206-F210 WeakPolarHBondContact O-CB 3.48Å; V206-F210 PolarHBondContact O-N 2.99Å; R208-F210 VanDerWaalsContact C-N 3.29Å; R208-F210 PolarHBondContact O-N 2.83Å; F210-E212 PolarHBondContact O-N 3.45Å; F210-S213 PolarHBondContact O-N 3.39Å; F210-S213 VanDerWaalsContact O-N 3.16Å; F210-L214 HydrophobicContact CD1-CD1 4.16Å; F210-L214 HydrophobicContact CD2-CD1 4.46Å; F210-L214 HydrophobicContact CD2-CD2 4.2Å; F210-L214 HydrophobicContact CD2-CG 4.08Å; F210-L214 HydrophobicContact CE1-CD1 3.86Å; F210-L214 HydrophobicContact CE1-CG 4.44Å; F210-L214 HydrophobicContact CE2-CD1 4.21Å; F210-L214 HydrophobicContact CE2-CD2 3.55Å; F210-L214 HydrophobicContact CE2-CG 3.89Å; F210-L214 HydrophobicContact CG-CD1 4.46Å; F210-L214 HydrophobicContact CG-CG 4.47Å; F210-L214 HydrophobicContact CZ-CD1 3.9Å; F210-L214 HydrophobicContact CZ-CD2 3.75Å; F210-L214 HydrophobicContact CZ-CG 4.09Å; F210-L214 VanDerWaalsContact O-CG 3.28Å; F210-L214 WeakPolarHBondContact O-CG 3.48Å; F210-L214 PolarHBondContact O-N 3.3Å; F210-L214 VanDerWaalsContact O-N 3.09Å; F210-F222 HydrophobicContact CZ-CD2 4.35Å; F210-L224 HydrophobicContact CE1-CD1 4.06Å; F210-W248 HydrophobicContact CB-CE3 4.38Å; F210-W248 HydrophobicContact CB-CH2 3.77Å; F210-W248 HydrophobicContact CB-CZ3 3.69Å; F210-W248 AromaticContact CD2-CH2 3.41Å; F210-W248 HydrophobicContact CD2-CH2 3.41Å; F210-W248 VanDerWaalsContact CD2-CH2 3.41Å; F210-W248 AromaticContact CD2-CZ2 3.6Å; F210-W248 HydrophobicContact CD2-CZ2 3.6Å; F210-W248 HydrophobicContact CD2-CZ3 4.22Å; F210-W248 HydrophobicContact CE2-CH2 4.34Å; F210-W248 HydrophobicContact CE2-CZ2 4.35Å; F210-W248 AromaticContact CG-CH2 3.98Å; F210-W248 HydrophobicContact CG-CH2 3.98Å; F210-W248 HydrophobicContact CG-CZ3 4.4Å; F210-Y269 HydrophobicContact CD2-CD1 4.33Å; F210-Y269 AromaticContact CE2-CD1 3.81Å; F210-Y269 HydrophobicContact CE2-CD1 3.81Å; F210-Y269 HydrophobicContact CE2-CE1 4.48Å; F210-Y269 AromaticContact CE2-CG 3.86Å; F210-Y269 HydrophobicContact CE2-CG 3.86Å; F210-Y269 HydrophobicContact CZ-CG 4.39Å; F210-L272 HydrophobicContact CB-CD1 4.05Å; F210-L272 HydrophobicContact CD1-CB 3.78Å; F210-L272 HydrophobicContact CD1-CD1 4Å; F210-L272 HydrophobicContact CD2-CD1 4.24Å; F210-L272 HydrophobicContact CE1-CB 3.77Å; F210-L272 HydrophobicContact CG-CB 4.47Å; F210-L272 HydrophobicContact CG-CD1 3.85Å; F210-L272 HydrophobicContact CZ-CB 4.44Å; F210-S273 WeakPolarHBondContact CE1-OG 3.43Å; F210-S273 WeakPolarHBondContact CZ-OG 3.3Å; F210-L276 HydrophobicContact CD1-CD1 3.74Å; F210-L276 HydrophobicContact CE1-CD1 3.98Å
211L91.6Very high92.5Very high8 Ų846 Ų464%0.04222%0.224CC..Hα-helixtrans-56.5-46.1-179.7-78.3170.7000113L200 F207 R208 S213 L224 Y229 L230 L276L200-L211 HydrophobicContact CD1-CD1 4.36Å; L200-L211 HydrophobicContact CD2-CD1 3.85Å; F207-L211 WeakPolarHBondContact O-CB 3.42Å; F207-L211 VanDerWaalsContact O-CG 3.3Å; F207-L211 WeakPolarHBondContact O-CG 3.18Å; F207-L211 PolarHBondContact O-N 2.97Å; R208-L211 PolarHBondContact O-N 3.37Å; L211-S213 VanDerWaalsContact C-N 3.29Å; L211-S213 PolarHBondContact O-N 3.43Å; L211-L224 HydrophobicContact CD2-CD1 4.47Å; L211-Y229 HydrophobicContact CD1-CD2 4.5Å; L211-Y229 HydrophobicContact CD1-CG 4.28Å; L211-L230 HydrophobicContact CD2-CD2 4.09Å; L211-L276 HydrophobicContact CD1-CD2 3.75Å; L211-L276 HydrophobicContact CD2-CD1 3.84Å; L211-L276 HydrophobicContact CD2-CD2 4.32Å; L211-L276 HydrophobicContact CG-CD1 3.94Å; L211-L276 HydrophobicContact CG-CD2 4.11Å
212E89Confident92.8Very high44 Ų4441 Ų4121%0.20620%0.202CC..Hα-helixtrans-70.2-26.2-178.3-69.9173.4-164.300112.1R208 F210 S244 H245R208-E212 WeakPolarHBondContact CD-OE1 3.4Å; R208-E212 HydrophobicContact CG-CG 4.25Å; R208-E212 WeakPolarHBondContact CG-OE1 3.22Å; R208-E212 IonicContact CZ-OE1 3.99Å; R208-E212 IonicContact NH1-OE1 3.09Å; R208-E212 PolarHBondContact NH1-OE1 3.37Å; R208-E212 VanDerWaalsContact NH1-OE1 3.09Å; R208-E212 IonicContact NH1-OE2 3.32Å; R208-E212 PolarHBondContact NH1-OE2 3.16Å; R208-E212 WeakPolarHBondContact O-CB 3.21Å; R208-E212 WeakPolarHBondContact O-CG 3.49Å; R208-E212 PolarHBondContact O-N 3.14Å; F210-E212 PolarHBondContact O-N 3.45Å; E212-S244 WeakPolarHBondContact OE2-CB 3.27Å; E212-S244 PolarHBondContact OE2-OG 3.42Å; E212-H245 PolarHBondContact O-CE1 3.21Å; E212-H245 PolarHBondContact O-NE2 2.83Å
213S91.4Very high92.8Very high27 Ų2740.5 Ų40.519%0.18920%0.203CC..Hα-helixtrans-99.31.5-177.7-49.30000114.4W209 F210 L211 W248W209-S213 WeakPolarHBondContact O-CB 3.5Å; W209-S213 PolarHBondContact O-N 2.98Å; W209-S213 VanDerWaalsContact O-N 3.13Å; W209-S213 PolarHBondContact O-OG 2.96Å; F210-S213 PolarHBondContact O-N 3.39Å; F210-S213 VanDerWaalsContact O-N 3.16Å; L211-S213 VanDerWaalsContact C-N 3.29Å; L211-S213 PolarHBondContact O-N 3.43Å; S213-W248 VanDerWaalsContact OG-CB 3.31Å; S213-W248 WeakPolarHBondContact OG-CB 3.49Å
214L90.5Very high92.6Very high17 Ų1740.3 Ų40.39%0.08920%0.202CC..  trans-74.5127.7-178.7-89.1171.6000111.7F210 D218 Q219 F222 L224F210-L214 HydrophobicContact CD1-CD1 4.16Å; F210-L214 HydrophobicContact CD2-CD1 4.46Å; F210-L214 HydrophobicContact CD2-CD2 4.2Å; F210-L214 HydrophobicContact CD2-CG 4.08Å; F210-L214 HydrophobicContact CE1-CD1 3.86Å; F210-L214 HydrophobicContact CE1-CG 4.44Å; F210-L214 HydrophobicContact CE2-CD1 4.21Å; F210-L214 HydrophobicContact CE2-CD2 3.55Å; F210-L214 HydrophobicContact CE2-CG 3.89Å; F210-L214 HydrophobicContact CG-CD1 4.46Å; F210-L214 HydrophobicContact CG-CG 4.47Å; F210-L214 HydrophobicContact CZ-CD1 3.9Å; F210-L214 HydrophobicContact CZ-CD2 3.75Å; F210-L214 HydrophobicContact CZ-CG 4.09Å; F210-L214 VanDerWaalsContact O-CG 3.28Å; F210-L214 WeakPolarHBondContact O-CG 3.48Å; F210-L214 PolarHBondContact O-N 3.3Å; F210-L214 VanDerWaalsContact O-N 3.09Å; L214-D218 HydrophobicContact CD2-CB 3.53Å; L214-Q219 HydrophobicContact CB-CG 3.94Å; L214-Q219 PolarHBondContact O-NE2 2.97Å; L214-Q219 VanDerWaalsContact O-NE2 3.15Å; L214-F222 HydrophobicContact CD2-CD2 4.06Å; L214-F222 HydrophobicContact CD2-CE2 4.31Å; L214-L224 HydrophobicContact CD1-CD1 3.6Å
215S90.6Very high92Very high51 Ų5143.9 Ų43.936%0.35722%0.22SC..  trans-69.1155.1171.280.70000111.4K217 D218 Q219S215-K217 PolarHBondContact O-N 3.34Å; S215-K217 VanDerWaalsContact O-N 3.16Å; S215-D218 WeakPolarHBondContact CB-OD2 3.06Å; S215-D218 PolarHBondContact O-N 2.91Å; S215-D218 PolarHBondContact OG-N 2.94Å; S215-D218 VanDerWaalsContact OG-N 3.15Å; S215-D218 PolarHBondContact OG-OD2 3.43Å; S215-Q219 WeakPolarHBondContact O-CG 3.49Å; S215-Q219 PolarHBondContact O-N 2.87Å
216K88.4Confident90.9Very high168 Ų16850.5 Ų50.573%0.7326%0.256SS*.Hα-helixtrans-56-33.7175.4-68.7-173.8178.4-177.10112.7I220K216-I220 WeakPolarHBondContact O-CG1 3.48Å; K216-I220 PolarHBondContact O-N 3.21Å
217K91.9Very high89.8Confident162 Ų16250.9 Ų50.970%0.70426%0.259SS*.Hα-helixtrans-65.2-45.1175.6-177.6-175.6174.2-173.10111S215 I220 Q221S215-K217 PolarHBondContact O-N 3.34Å; S215-K217 VanDerWaalsContact O-N 3.16Å; K217-I220 PolarHBondContact O-N 2.96Å; K217-Q221 WeakPolarHBondContact O-CB 3.45Å; K217-Q221 PolarHBondContact O-N 3.39Å
218D92.1Very high88.8Confident50 Ų5057.8 Ų57.827%0.26729%0.29SS..Hα-helixtrans-70.1-36.2179.9-58.8-36.5000111.4L214 S215 I220 Q221 F222L214-D218 HydrophobicContact CD2-CB 3.53Å; S215-D218 WeakPolarHBondContact CB-OD2 3.06Å; S215-D218 PolarHBondContact O-N 2.91Å; S215-D218 PolarHBondContact OG-N 2.94Å; S215-D218 VanDerWaalsContact OG-N 3.15Å; S215-D218 PolarHBondContact OG-OD2 3.43Å; D218-I220 VanDerWaalsContact C-N 3.31Å; D218-I220 PolarHBondContact O-N 3.39Å; D218-Q221 PolarHBondContact O-N 2.99Å; D218-F222 HydrophobicContact CB-CD2 4.05Å; D218-F222 HydrophobicContact CB-CE2 3.93Å; D218-F222 WeakPolarHBondContact O-CB 3.22Å; D218-F222 WeakPolarHBondContact O-CD2 3.26Å; D218-F222 PolarHBondContact O-N 2.86Å
219Q91.6Very high87.9Confident30 Ų3056.9 Ų56.914%0.1429%0.287CS..Hα-helixtrans-57.3-43.8173.1-68.9172.717.200111.6L214 S215 G223 L224 I225 L230L214-Q219 HydrophobicContact CB-CG 3.94Å; L214-Q219 PolarHBondContact O-NE2 2.97Å; L214-Q219 VanDerWaalsContact O-NE2 3.15Å; S215-Q219 WeakPolarHBondContact O-CG 3.49Å; S215-Q219 PolarHBondContact O-N 2.87Å; Q219-G223 PolarHBondContact O-N 3.44Å; Q219-G223 VanDerWaalsContact O-N 3.13Å; Q219-L224 PolarHBondContact O-N 3.25Å; Q219-I225 HydrophobicContact CB-CD1 4.26Å; Q219-I225 PolarHBondContact O-N 3.42Å; Q219-L230 HydrophobicContact CG-CD1 4.3Å
220I91.5Very high86.5Confident114 Ų11457.4 Ų57.459%0.58529%0.291SS*.Hα-helixtrans-66.4-48174.8-64.3166.2000110.3K216 K217 D218 F222 G223 I225K216-I220 WeakPolarHBondContact O-CG1 3.48Å; K216-I220 PolarHBondContact O-N 3.21Å; K217-I220 PolarHBondContact O-N 2.96Å; D218-I220 VanDerWaalsContact C-N 3.31Å; D218-I220 PolarHBondContact O-N 3.39Å; I220-F222 VanDerWaalsContact C-N 3.27Å; I220-F222 PolarHBondContact O-N 3.49Å; I220-G223 PolarHBondContact O-N 2.93Å; I220-G223 VanDerWaalsContact O-N 3.13Å; I220-I225 HydrophobicContact CG1-CB 4.38Å; I220-I225 HydrophobicContact CG1-CD1 4.1Å; I220-I225 HydrophobicContact CG1-CG1 4.28Å
221Q92.8Very high84.8Confident88 Ų8862.2 Ų62.241%0.41132%0.32SS..Hα-helixtrans-58.6-38.1-177.4-177.4172.911.600112.8K217 D218 F266 M348K217-Q221 WeakPolarHBondContact O-CB 3.45Å; K217-Q221 PolarHBondContact O-N 3.39Å; D218-Q221 PolarHBondContact O-N 2.99Å; Q221-F266 VanDerWaalsContact NE2-CE2 3.28Å; Q221-F266 VanDerWaalsContact NE2-CZ 3.32Å; Q221-M348 WeakPolarHBondContact O-CE 3.41Å
222F94.1Very high82.8Confident2 Ų269.3 Ų69.31%0.00935%0.353CS..THydrogen-bonded Turntrans-96.35.4-179.4-59.5-54.3000113.9F210 L214 D218 I220 L224 F266 Y269 K270 S273 L352F210-F222 HydrophobicContact CZ-CD2 4.35Å; L214-F222 HydrophobicContact CD2-CD2 4.06Å; L214-F222 HydrophobicContact CD2-CE2 4.31Å; D218-F222 HydrophobicContact CB-CD2 4.05Å; D218-F222 HydrophobicContact CB-CE2 3.93Å; D218-F222 WeakPolarHBondContact O-CB 3.22Å; D218-F222 WeakPolarHBondContact O-CD2 3.26Å; D218-F222 PolarHBondContact O-N 2.86Å; I220-F222 VanDerWaalsContact C-N 3.27Å; I220-F222 PolarHBondContact O-N 3.49Å; F222-L224 VanDerWaalsContact C-N 3.27Å; F222-L224 HydrophobicContact CB-CD1 4.31Å; F222-L224 HydrophobicContact CB-CG 4.31Å; F222-L224 PolarHBondContact O-N 2.61Å; F222-F266 HydrophobicContact CE1-CD2 4.4Å; F222-F266 AromaticContact CE1-CE2 3.72Å; F222-F266 HydrophobicContact CE1-CE2 3.72Å; F222-F266 AromaticContact CE1-CZ 3.99Å; F222-F266 HydrophobicContact CE1-CZ 3.99Å; F222-F266 HydrophobicContact CZ-CD2 4.12Å; F222-F266 AromaticContact CZ-CE2 3.67Å; F222-F266 HydrophobicContact CZ-CE2 3.67Å; F222-F266 HydrophobicContact CZ-CZ 4.4Å; F222-Y269 HydrophobicContact CE2-CD2 4.22Å; F222-Y269 HydrophobicContact CZ-CD2 4.06Å; F222-Y269 HydrophobicContact CZ-CG 4.36Å; F222-K270 HydrophobicContact CD1-CG 4.32Å; F222-K270 HydrophobicContact CE1-CG 3.93Å; F222-S273 WeakPolarHBondContact CB-OG 3.47Å; F222-L352 HydrophobicContact CD1-CD2 4.18Å
223G90.6Very high80.9Confident27 Ų2774.2 Ų74.228%0.27838%0.38SS..THydrogen-bonded Turntrans68.424.6177.400000114.1Q219 I220 L277Q219-G223 PolarHBondContact O-N 3.44Å; Q219-G223 VanDerWaalsContact O-N 3.13Å; I220-G223 PolarHBondContact O-N 2.93Å; I220-G223 VanDerWaalsContact O-N 3.13Å; G223-L277 WeakPolarHBondContact O-CD2 3.2Å
224L90.4Very high78.9Confident0 Ų080 Ų800%041%0.409CS..  trans-99.15.5-179.6-63.3176.5000113.1F210 L211 L214 Q219 F222 D226 C227 L230 S273 L276 L277F210-L224 HydrophobicContact CE1-CD1 4.06Å; L211-L224 HydrophobicContact CD2-CD1 4.47Å; L214-L224 HydrophobicContact CD1-CD1 3.6Å; Q219-L224 PolarHBondContact O-N 3.25Å; F222-L224 VanDerWaalsContact C-N 3.27Å; F222-L224 HydrophobicContact CB-CD1 4.31Å; F222-L224 HydrophobicContact CB-CG 4.31Å; F222-L224 PolarHBondContact O-N 2.61Å; L224-D226 VanDerWaalsContact C-N 3.34Å; L224-D226 PolarHBondContact O-N 2.8Å; L224-C227 HydrophobicContact CB-CB 4.1Å; L224-C227 HydrophobicContact CD2-CB 4.22Å; L224-C227 WeakPolarHBondContact O-CB 3.28Å; L224-C227 PolarHBondContact O-N 3.1Å; L224-L230 WeakPolarHBondContact O-CD1 3.32Å; L224-S273 WeakPolarHBondContact CD1-OG 3.34Å; L224-L276 HydrophobicContact CD1-CD1 4.07Å; L224-L276 HydrophobicContact CD2-CB 4.06Å; L224-L277 HydrophobicContact CD2-CD2 4.09Å; L224-L277 HydrophobicContact CD2-CG 3.99Å
225I83.8Confident77.2Confident74 Ų7487.5 Ų87.538%0.37945%0.449SS..THydrogen-bonded Turntrans-57.5-41.8-176.4-167.963.8000113.4Q219 I220 C227Q219-I225 HydrophobicContact CB-CD1 4.26Å; Q219-I225 PolarHBondContact O-N 3.42Å; I220-I225 HydrophobicContact CG1-CB 4.38Å; I220-I225 HydrophobicContact CG1-CD1 4.1Å; I220-I225 HydrophobicContact CG1-CG1 4.28Å; I225-C227 VanDerWaalsContact C-N 3.31Å
226D74.2Confident75.6Confident148 Ų14890.9 Ų90.979%0.79146%0.455SS*.THydrogen-bonded Turntrans-96.517.5177.2-57.4-45.7000112L224 H228L224-D226 VanDerWaalsContact C-N 3.34Å; L224-D226 PolarHBondContact O-N 2.8Å; D226-H228 PolarHBondContact O-N 2.88Å; D226-H228 VanDerWaalsContact O-N 3.1Å
227C73.8Confident74.6Confident9 Ų987.1 Ų87.16%0.06144%0.443CS..  trans-68.4113.8-178.2-168.50000109.4L224 I225 Y229 L230L224-C227 HydrophobicContact CB-CB 4.1Å; L224-C227 HydrophobicContact CD2-CB 4.22Å; L224-C227 WeakPolarHBondContact O-CB 3.28Å; L224-C227 PolarHBondContact O-N 3.1Å; I225-C227 VanDerWaalsContact C-N 3.31Å; C227-Y229 PolarHBondContact O-N 3.31Å; C227-Y229 WeakPolarHBondContact SG-CD2 3.27Å; C227-L230 HydrophobicContact CB-CD1 4.32Å; C227-L230 HydrophobicContact CB-CG 4.26Å; C227-L230 WeakPolarHBondContact O-CB 3.41Å; C227-L230 PolarHBondContact O-N 2.81Å
228H74.5Confident73.9Confident145 Ų14585.5 Ų85.567%0.67144%0.442SS*.THydrogen-bonded Turntrans-62.5-7-180-158.5-52.4000113.6D226 L230D226-H228 PolarHBondContact O-N 2.88Å; D226-H228 VanDerWaalsContact O-N 3.1Å; H228-L230 VanDerWaalsContact C-N 3.34Å
229Y75Confident73.3Confident15 Ų1588.3 Ų88.36%0.05946%0.457CS..THydrogen-bonded Turntrans-76.4-21.7169.4-58-53.3000113F195 L200 L211 C227 V231 L276 N279 S280F195-Y229 HydrophobicContact CD2-CE1 4.1Å; F195-Y229 HydrophobicContact CE2-CE1 4.19Å; F195-Y229 HydrophobicContact CE2-CE2 4.05Å; F195-Y229 AromaticContact CE2-CZ 3.86Å; F195-Y229 PolarHBondContact O-OH 3.45Å; L200-Y229 HydrophobicContact CD2-CD1 4.1Å; L200-Y229 HydrophobicContact CD2-CG 4.26Å; L211-Y229 HydrophobicContact CD1-CD2 4.5Å; L211-Y229 HydrophobicContact CD1-CG 4.28Å; C227-Y229 PolarHBondContact O-N 3.31Å; C227-Y229 WeakPolarHBondContact SG-CD2 3.27Å; Y229-V231 PolarHBondContact O-N 3.32Å; Y229-V231 VanDerWaalsContact O-N 3.15Å; Y229-L276 HydrophobicContact CD2-CD2 3.93Å; Y229-L276 HydrophobicContact CE2-CD2 4.25Å; Y229-N279 VanDerWaalsContact OH-C 3.29Å; Y229-N279 WeakPolarHBondContact OH-CB 3.48Å; Y229-N279 PolarHBondContact OH-O 3.12Å; Y229-S280 PolarHBondContact OH-N 2.73Å
230L62.8Low72.7Confident25 Ų2589.4 Ų89.413%0.13146%0.462CS..SBendtrans-68.8110.5173.5-64.9173.6000108.2L211 Q219 L224 C227 H228 H232L211-L230 HydrophobicContact CD2-CD2 4.09Å; Q219-L230 HydrophobicContact CG-CD1 4.3Å; L224-L230 WeakPolarHBondContact O-CD1 3.32Å; C227-L230 HydrophobicContact CB-CD1 4.32Å; C227-L230 HydrophobicContact CB-CG 4.26Å; C227-L230 WeakPolarHBondContact O-CB 3.41Å; C227-L230 PolarHBondContact O-N 2.81Å; H228-L230 VanDerWaalsContact C-N 3.34Å; L230-H232 PolarHBondContact O-N 3.43Å; L230-H232 VanDerWaalsContact O-N 3.1Å; L230-H232 PolarHBondContact O-ND1 3.1Å
231V59.8Low72.2Confident103 Ų10386.1 Ų86.162%0.62445%0.448SS*.  trans-61.8113.1177.8-178.60000107.6Y229Y229-V231 PolarHBondContact O-N 3.32Å; Y229-V231 VanDerWaalsContact O-N 3.15Å
232H50.1Low71.9Confident157 Ų15788.3 Ų88.373%0.72746%0.458SS*.  trans-75.9130.5170.1-71.457.2000107.9L230 N234L230-H232 PolarHBondContact O-N 3.43Å; L230-H232 VanDerWaalsContact O-N 3.1Å; L230-H232 PolarHBondContact O-ND1 3.1Å; H232-N234 PolarHBondContact O-N 3.32Å
233D48.3Very low71.6Confident146 Ų14692.4 Ų92.478%0.78148%0.476SS*.SBendtrans-27.6122.1178.9-68-43000113.9
234N49.8Very low71.6Confident150 Ų15091.2 Ų91.280%0.80246%0.463SS*.SBend161.6-5.6129.7-77-31.7000117.3H232H232-N234 PolarHBondContact O-N 3.32Å
235D54.3Low71.6Confident173 Ų17395.2 Ų95.293%0.92548%0.481SS*.SBendtrans-138.519.1-174.6-96.4-24.1000116.3
236Y58.4Low72.1Confident122 Ų12295.5 Ų95.548%0.47849%0.49SS..SBendtrans-106.1143.5178.3-140.1-101.6000112.5D238 M240 V241Y236-D238 PolarHBondContact O-N 3.41Å; Y236-M240 HydrophobicContact CD1-CB 4.21Å; Y236-M240 HydrophobicContact CE1-CB 3.74Å; Y236-M240 HydrophobicContact CE1-CG 4.32Å; Y236-V241 HydrophobicContact CD1-CG2 4.2Å
237D66.9Low73Confident90 Ų9090.8 Ų90.848%0.48147%0.465SS..  trans-64.7110.6177.2-177.35.5000110.3L239 M240D237-L239 PolarHBondContact O-N 3.48Å; D237-L239 WeakPolarHBondContact OD1-CB 3.45Å; D237-L239 PolarHBondContact OD1-N 2.9Å; D237-L239 VanDerWaalsContact OD1-N 3.12Å; D237-M240 HydrophobicContact CB-CG 4.23Å; D237-M240 WeakPolarHBondContact O-CB 3.27Å; D237-M240 PolarHBondContact O-N 2.95Å
238D76.5Confident74.1Confident127 Ų12791.4 Ų91.468%0.67947%0.466SS*.Hα-helixtrans-46.6-31.7175.4-86.5-16.1000112.1Y236 M240 V241 Q242Y236-D238 PolarHBondContact O-N 3.41Å; D238-M240 PolarHBondContact O-N 2.91Å; D238-V241 PolarHBondContact O-N 2.85Å; D238-Q242 WeakPolarHBondContact O-CG 3.23Å; D238-Q242 PolarHBondContact O-N 3.41Å
239L80.4Confident75.1Confident110 Ų11088 Ų8858%0.57646%0.459SS*.Hα-helixtrans-68-33.2-178.7-150134.8000112.5D237 K243D237-L239 PolarHBondContact O-N 3.48Å; D237-L239 WeakPolarHBondContact OD1-CB 3.45Å; D237-L239 PolarHBondContact OD1-N 2.9Å; D237-L239 VanDerWaalsContact OD1-N 3.12Å; L239-K243 WeakPolarHBondContact O-CB 3.4Å; L239-K243 PolarHBondContact O-N 3.36Å; L239-K243 VanDerWaalsContact O-N 3.09Å
240M79.1Confident76.1Confident52 Ų5289.6 Ų89.626%0.25647%0.471SS..Hα-helixtrans-71.1-40.9175.9-74.1-61.810900112.1Y236 D237 D238 K243 S244Y236-M240 HydrophobicContact CD1-CB 4.21Å; Y236-M240 HydrophobicContact CE1-CB 3.74Å; Y236-M240 HydrophobicContact CE1-CG 4.32Å; D237-M240 HydrophobicContact CB-CG 4.23Å; D237-M240 WeakPolarHBondContact O-CB 3.27Å; D237-M240 PolarHBondContact O-N 2.95Å; D238-M240 PolarHBondContact O-N 2.91Å; M240-K243 HydrophobicContact CE-CD 4.39Å; M240-K243 PolarHBondContact O-N 3.18Å; M240-S244 PolarHBondContact O-N 3.45Å; M240-S244 PolarHBondContact O-OG 3.25Å
241V81.1Confident77.7Confident46 Ų4688.4 Ų88.428%0.27947%0.466SS..Hα-helixtrans-65.1-43177.6177.90000110.2Y236 D238 K243 S244 H245Y236-V241 HydrophobicContact CD1-CG2 4.2Å; D238-V241 PolarHBondContact O-N 2.85Å; V241-K243 VanDerWaalsContact C-N 3.35Å; V241-K243 PolarHBondContact O-N 3.31Å; V241-S244 PolarHBondContact O-N 3.01Å; V241-H245 VanDerWaalsContact CG1-CE1 3.47Å; V241-H245 WeakPolarHBondContact CG1-CE1 3.48Å; V241-H245 PolarHBondContact O-N 3.03Å; V241-H245 PolarHBondContact O-ND1 3.15Å
242Q86.1Confident79.4Confident133 Ų13385.4 Ų85.462%0.62145%0.446SS*.Hα-helixtrans-60-42.4174.3-72.9178.18.600112.3D238 S244 H245 S246D238-Q242 WeakPolarHBondContact O-CG 3.23Å; D238-Q242 PolarHBondContact O-N 3.41Å; Q242-S244 PolarHBondContact O-N 3.41Å; Q242-H245 PolarHBondContact O-N 2.93Å; Q242-S246 PolarHBondContact O-N 3.25Å
243K88.1Confident81.5Confident89 Ų8983.6 Ų83.639%0.38744%0.438SS..Hα-helixtrans-60.7-42.9175.9-175.2177.2177.9-178.20111.6E159 L239 M240 V241 S246 N247E159-K243 IonicContact OE2-NZ 3.16Å; E159-K243 PolarHBondContact OE2-NZ 2.79Å; L239-K243 WeakPolarHBondContact O-CB 3.4Å; L239-K243 PolarHBondContact O-N 3.36Å; L239-K243 VanDerWaalsContact O-N 3.09Å; M240-K243 HydrophobicContact CE-CD 4.39Å; M240-K243 PolarHBondContact O-N 3.18Å; V241-K243 VanDerWaalsContact C-N 3.35Å; V241-K243 PolarHBondContact O-N 3.31Å; K243-S246 PolarHBondContact O-N 3.26Å; K243-N247 VanDerWaalsContact O-CG 3.23Å; K243-N247 PolarHBondContact O-N 3.37Å; K243-N247 PolarHBondContact O-ND2 3.46Å
244S89.1Confident83.7Confident1 Ų176.7 Ų76.71%0.00740%0.4CS..Hα-helixtrans-64.6-41.3175.9-610000113.4R208 E212 M240 V241 Q242 S246 N247 W248R208-S244 PolarHBondContact NH1-OG 3.49Å; E212-S244 WeakPolarHBondContact OE2-CB 3.27Å; E212-S244 PolarHBondContact OE2-OG 3.42Å; M240-S244 PolarHBondContact O-N 3.45Å; M240-S244 PolarHBondContact O-OG 3.25Å; V241-S244 PolarHBondContact O-N 3.01Å; Q242-S244 PolarHBondContact O-N 3.41Å; S244-S246 VanDerWaalsContact C-N 3.32Å; S244-S246 PolarHBondContact O-N 3.3Å; S244-N247 PolarHBondContact O-N 3.25Å; S244-W248 WeakPolarHBondContact O-CB 3.49Å; S244-W248 PolarHBondContact O-N 2.88Å
245H91.6Very high85.8Confident85 Ų8569.7 Ų69.739%0.39436%0.363SS..Hα-helixtrans-61.3-42.7175.4-79.574.9000111.4E212 V241 Q242 W248 S249E212-H245 PolarHBondContact O-CE1 3.21Å; E212-H245 PolarHBondContact O-NE2 2.83Å; V241-H245 VanDerWaalsContact CG1-CE1 3.47Å; V241-H245 WeakPolarHBondContact CG1-CE1 3.48Å; V241-H245 PolarHBondContact O-N 3.03Å; V241-H245 PolarHBondContact O-ND1 3.15Å; Q242-H245 PolarHBondContact O-N 2.93Å; H245-W248 PolarHBondContact O-N 3.02Å; H245-S249 WeakPolarHBondContact O-CB 3.34Å; H245-S249 PolarHBondContact O-N 2.97Å
246S94Very high87.6Confident79 Ų7967.7 Ų67.755%0.55235%0.348SS*.Hα-helixtrans-61.9-43174.8-173.30000111.8Q242 K243 S244 S249 S250Q242-S246 PolarHBondContact O-N 3.25Å; K243-S246 PolarHBondContact O-N 3.26Å; S244-S246 VanDerWaalsContact C-N 3.32Å; S244-S246 PolarHBondContact O-N 3.3Å; S246-S249 PolarHBondContact O-N 3.39Å; S246-S250 PolarHBondContact O-N 2.67Å
247N94.3Very high89.1Confident50 Ų5062.8 Ų62.827%0.26733%0.333SS..Hα-helixtrans-68-38.8178.4-71-18.9000112.4W209 K243 S244 S250 L251W209-N247 HydrophobicContact CD2-CB 3.76Å; W209-N247 HydrophobicContact CE3-CB 3.84Å; W209-N247 HydrophobicContact CG-CB 4.48Å; W209-N247 HydrophobicContact CH2-CB 3.77Å; W209-N247 HydrophobicContact CZ2-CB 3.67Å; W209-N247 VanDerWaalsContact CZ2-ND2 3.32Å; W209-N247 WeakPolarHBondContact CZ2-ND2 3.39Å; W209-N247 HydrophobicContact CZ3-CB 3.83Å; K243-N247 VanDerWaalsContact O-CG 3.23Å; K243-N247 PolarHBondContact O-N 3.37Å; K243-N247 PolarHBondContact O-ND2 3.46Å; S244-N247 PolarHBondContact O-N 3.25Å; N247-S250 WeakPolarHBondContact O-CB 3.38Å; N247-S250 PolarHBondContact O-N 3.4Å; N247-L251 PolarHBondContact O-N 3.4Å
248W96.1Very high90.2Very high21 Ų2158.7 Ų58.78%0.0831%0.311CS..Hα-helixtrans-62.2-45.8173.6-175.7-107.7000111.3V206 W209 F210 S213 S244 H245 S250 L251 L252 F268 Y269 L272V206-W248 HydrophobicContact CG2-CZ3 4.26Å; W209-W248 HydrophobicContact CB-CB 4.31Å; W209-W248 HydrophobicContact CB-CE3 3.86Å; F210-W248 HydrophobicContact CB-CE3 4.38Å; F210-W248 HydrophobicContact CB-CH2 3.77Å; F210-W248 HydrophobicContact CB-CZ3 3.69Å; F210-W248 AromaticContact CD2-CH2 3.41Å; F210-W248 HydrophobicContact CD2-CH2 3.41Å; F210-W248 VanDerWaalsContact CD2-CH2 3.41Å; F210-W248 AromaticContact CD2-CZ2 3.6Å; F210-W248 HydrophobicContact CD2-CZ2 3.6Å; F210-W248 HydrophobicContact CD2-CZ3 4.22Å; F210-W248 HydrophobicContact CE2-CH2 4.34Å; F210-W248 HydrophobicContact CE2-CZ2 4.35Å; F210-W248 AromaticContact CG-CH2 3.98Å; F210-W248 HydrophobicContact CG-CH2 3.98Å; F210-W248 HydrophobicContact CG-CZ3 4.4Å; S213-W248 VanDerWaalsContact OG-CB 3.31Å; S213-W248 WeakPolarHBondContact OG-CB 3.49Å; S244-W248 WeakPolarHBondContact O-CB 3.49Å; S244-W248 PolarHBondContact O-N 2.88Å; H245-W248 PolarHBondContact O-N 3.02Å; W248-S250 VanDerWaalsContact C-N 3.32Å; W248-S250 PolarHBondContact O-N 3.31Å; W248-L251 HydrophobicContact CE3-CD2 3.89Å; W248-L251 HydrophobicContact CZ3-CD2 3.77Å; W248-L251 WeakPolarHBondContact O-CB 3.46Å; W248-L251 PolarHBondContact O-N 3.25Å; W248-L251 VanDerWaalsContact O-N 3.14Å; W248-L252 HydrophobicContact CZ2-CD2 4.23Å; W248-L252 WeakPolarHBondContact O-CG 3.33Å; W248-L252 PolarHBondContact O-N 2.91Å; W248-F268 HydrophobicContact CH2-CE1 4.12Å; W248-Y269 HydrophobicContact CH2-CD1 4.23Å; W248-Y269 AromaticContact CH2-CE1 3.78Å; W248-Y269 HydrophobicContact CH2-CE1 3.78Å; W248-Y269 HydrophobicContact CZ2-CD1 4.16Å; W248-Y269 AromaticContact CZ2-CE1 3.41Å; W248-Y269 HydrophobicContact CZ2-CE1 3.41Å; W248-Y269 VanDerWaalsContact CZ2-CE1 3.41Å; W248-Y269 AromaticContact CZ2-CZ 3.91Å; W248-L272 HydrophobicContact CH2-CD1 4.3Å
249S95.5Very high90.8Very high75 Ų7558 Ų5852%0.52431%0.308SS..Hα-helixtrans-58.6-43.2174.9-172.10000112.1H245 S246 L251 L252 Q253H245-S249 WeakPolarHBondContact O-CB 3.34Å; H245-S249 PolarHBondContact O-N 2.97Å; S246-S249 PolarHBondContact O-N 3.39Å; S249-L251 VanDerWaalsContact C-N 3.35Å; S249-L251 PolarHBondContact O-N 3.37Å; S249-L252 PolarHBondContact O-N 3.18Å; S249-Q253 PolarHBondContact O-N 3.43Å
250S95.3Very high91.2Very high47 Ų4753.9 Ų53.933%0.32929%0.286SS..Hα-helixtrans-60.3-41.3174.4-1760000112.6S246 N247 W248 Q253 A254S246-S250 PolarHBondContact O-N 2.67Å; N247-S250 WeakPolarHBondContact O-CB 3.38Å; N247-S250 PolarHBondContact O-N 3.4Å; W248-S250 VanDerWaalsContact C-N 3.32Å; W248-S250 PolarHBondContact O-N 3.31Å; S250-Q253 PolarHBondContact O-N 2.92Å; S250-A254 WeakPolarHBondContact O-CB 3.38Å; S250-A254 PolarHBondContact O-N 3.21Å
251L96.6Very high91.6Very high1 Ų157.9 Ų57.91%0.00530%0.302CS..Hα-helixtrans-61.5-44.4173.817664.6000111.9V146 A149 N247 W248 S249 A254 F255V146-L251 HydrophobicContact CB-CD1 4.38Å; V146-L251 HydrophobicContact CG2-CD1 4.1Å; A149-L251 HydrophobicContact CB-CD1 3.75Å; A149-L251 HydrophobicContact CB-CD2 3.73Å; A149-L251 HydrophobicContact CB-CG 4.24Å; N247-L251 PolarHBondContact O-N 3.4Å; W248-L251 HydrophobicContact CE3-CD2 3.89Å; W248-L251 HydrophobicContact CZ3-CD2 3.77Å; W248-L251 WeakPolarHBondContact O-CB 3.46Å; W248-L251 PolarHBondContact O-N 3.25Å; W248-L251 VanDerWaalsContact O-N 3.14Å; S249-L251 VanDerWaalsContact C-N 3.35Å; S249-L251 PolarHBondContact O-N 3.37Å; L251-A254 WeakPolarHBondContact O-CB 3.42Å; L251-A254 PolarHBondContact O-N 3.31Å; L251-F255 HydrophobicContact CD1-CD1 4.25Å; L251-F255 HydrophobicContact CD1-CE1 3.71Å; L251-F255 HydrophobicContact CD1-CE2 4.15Å; L251-F255 HydrophobicContact CD1-CZ 3.69Å; L251-F255 HydrophobicContact CD2-CE2 4.26Å; L251-F255 HydrophobicContact CD2-CZ 4.32Å; L251-F255 HydrophobicContact CG-CD2 4.36Å; L251-F255 HydrophobicContact CG-CE1 4.4Å; L251-F255 HydrophobicContact CG-CE2 3.97Å; L251-F255 HydrophobicContact CG-CZ 4.01Å; L251-F255 WeakPolarHBondContact O-CG 3.38Å; L251-F255 PolarHBondContact O-N 3.3Å
252L95.4Very high91.9Very high40 Ų4061.5 Ų61.521%0.20932%0.319CS..Hα-helixtrans-65.1-39.9178.3-62.4-174000111.9W248 S249 A254 F255 Q256 L265 Y269W248-L252 HydrophobicContact CZ2-CD2 4.23Å; W248-L252 WeakPolarHBondContact O-CG 3.33Å; W248-L252 PolarHBondContact O-N 2.91Å; S249-L252 PolarHBondContact O-N 3.18Å; L252-A254 VanDerWaalsContact C-N 3.32Å; L252-A254 PolarHBondContact O-N 2.98Å; L252-F255 HydrophobicContact CD2-CD2 4.3Å; L252-F255 PolarHBondContact O-N 3.38Å; L252-Q256 WeakPolarHBondContact O-CG 3.22Å; L252-Q256 PolarHBondContact O-N 2.79Å; L252-L265 HydrophobicContact CD2-CD1 3.98Å; L252-L265 HydrophobicContact CD2-CD2 4.29Å; L252-Y269 HydrophobicContact CD2-CE1 4.41Å; L252-Y269 WeakPolarHBondContact CD2-OH 3.3Å
253Q94.3Very high92.1Very high119 Ų11961.4 Ų61.456%0.55632%0.319SS*.Hα-helixtrans-61.5-41.7173.5-173.5179.48.700111.4S249 S250 Q256 A257S249-Q253 PolarHBondContact O-N 3.43Å; S250-Q253 PolarHBondContact O-N 2.92Å; Q253-Q256 PolarHBondContact O-N 2.91Å; Q253-A257 WeakPolarHBondContact O-CB 3.12Å; Q253-A257 PolarHBondContact O-N 3.39Å
254A94.3Very high92.2Very high0 Ų060.1 Ų60.10%031%0.313CS..Hα-helixtrans-64.2-39.9175.500000112P145 V146 S250 L251 L252 A257 L258P145-A254 HydrophobicContact CB-CB 3.92Å; P145-A254 HydrophobicContact CG-CB 4.27Å; V146-A254 HydrophobicContact CG2-CB 3.91Å; S250-A254 WeakPolarHBondContact O-CB 3.38Å; S250-A254 PolarHBondContact O-N 3.21Å; L251-A254 WeakPolarHBondContact O-CB 3.42Å; L251-A254 PolarHBondContact O-N 3.31Å; L252-A254 VanDerWaalsContact C-N 3.32Å; L252-A254 PolarHBondContact O-N 2.98Å; A254-A257 WeakPolarHBondContact O-CB 3.46Å; A254-A257 PolarHBondContact O-N 2.92Å; A254-L258 WeakPolarHBondContact O-CB 3.38Å; A254-L258 VanDerWaalsContact O-CG 3.23Å; A254-L258 WeakPolarHBondContact O-CG 3.44Å; A254-L258 PolarHBondContact O-N 2.75Å
255F94.9Very high92.3Very high3 Ų361.3 Ų61.31%0.01332%0.319CS..Hα-helixtrans-62.2-42.1173.6-73.5-14.7000113.1V146 L251 L252 L258 N259 I260 L265 F268 M416V146-F255 HydrophobicContact CB-CE1 4.32Å; V146-F255 HydrophobicContact CG1-CE1 3.83Å; V146-F255 HydrophobicContact CG2-CD1 3.73Å; V146-F255 HydrophobicContact CG2-CE1 3.67Å; L251-F255 HydrophobicContact CD1-CD1 4.25Å; L251-F255 HydrophobicContact CD1-CE1 3.71Å; L251-F255 HydrophobicContact CD1-CE2 4.15Å; L251-F255 HydrophobicContact CD1-CZ 3.69Å; L251-F255 HydrophobicContact CD2-CE2 4.26Å; L251-F255 HydrophobicContact CD2-CZ 4.32Å; L251-F255 HydrophobicContact CG-CD2 4.36Å; L251-F255 HydrophobicContact CG-CE1 4.4Å; L251-F255 HydrophobicContact CG-CE2 3.97Å; L251-F255 HydrophobicContact CG-CZ 4.01Å; L251-F255 WeakPolarHBondContact O-CG 3.38Å; L251-F255 PolarHBondContact O-N 3.3Å; L252-F255 HydrophobicContact CD2-CD2 4.3Å; L252-F255 PolarHBondContact O-N 3.38Å; F255-L258 CarbonylContact O-C 3.58Å; F255-L258 PolarHBondContact O-N 2.75Å; F255-N259 PolarHBondContact O-N 2.69Å; F255-I260 HydrophobicContact CB-CB 4.21Å; F255-I260 HydrophobicContact CB-CD1 4.19Å; F255-I260 HydrophobicContact CD1-CD1 3.53Å; F255-I260 HydrophobicContact CE1-CD1 4.06Å; F255-I260 HydrophobicContact CG-CD1 3.98Å; F255-I260 WeakPolarHBondContact O-CB 3.48Å; F255-I260 PolarHBondContact O-N 3.36Å; F255-L265 HydrophobicContact CD2-CD1 3.55Å; F255-L265 HydrophobicContact CE2-CD1 3.92Å; F255-F268 AromaticContact CE2-CD1 3.88Å; F255-F268 HydrophobicContact CE2-CD1 3.88Å; F255-F268 AromaticContact CE2-CE1 3.64Å; F255-F268 HydrophobicContact CE2-CE1 3.64Å; F255-F268 HydrophobicContact CE2-CG 4.46Å; F255-F268 HydrophobicContact CE2-CZ 4.02Å; F255-F268 HydrophobicContact CZ-CD1 4.44Å; F255-F268 HydrophobicContact CZ-CE1 4.01Å; F255-F268 HydrophobicContact CZ-CE2 4.24Å; F255-F268 AromaticContact CZ-CZ 3.88Å; F255-F268 HydrophobicContact CZ-CZ 3.88Å; F255-M416 HydrophobicContact CD1-CE 4Å; F255-M416 HydrophobicContact CE1-CE 3.19Å; F255-M416 HydrophobicContact CZ-CE 3.68Å
256Q91.8Very high92.4Very high131 Ų13161.2 Ų61.261%0.61232%0.318SS*.Hα-helixtrans-62.5-44.6174.4-71.3174.6-10.700111.3L252 Q253 L258 N259L252-Q256 WeakPolarHBondContact O-CG 3.22Å; L252-Q256 PolarHBondContact O-N 2.79Å; Q253-Q256 PolarHBondContact O-N 2.91Å; Q256-L258 VanDerWaalsContact C-N 3.28Å; Q256-L258 PolarHBondContact O-N 2.91Å; Q256-N259 PolarHBondContact O-N 3.15Å
257A89Confident92.4Very high20 Ų2058.6 Ų58.617%0.16530%0.297CS..Hα-helixtrans-60.5-34.7176.100000113.6H138 Q142 Q253 A254 N259H138-A257 VanDerWaalsContact CE1-CB 3.42Å; H138-A257 WeakPolarHBondContact CE1-CB 3.29Å; Q142-A257 HydrophobicContact CB-CB 4.15Å; Q142-A257 HydrophobicContact CG-CB 3.71Å; Q253-A257 WeakPolarHBondContact O-CB 3.12Å; Q253-A257 PolarHBondContact O-N 3.39Å; A254-A257 WeakPolarHBondContact O-CB 3.46Å; A254-A257 PolarHBondContact O-N 2.92Å; A257-N259 PolarHBondContact O-N 2.91Å
258L90.8Very high92.5Very high4 Ų456.4 Ų56.42%0.02129%0.285CS..THydrogen-bonded Turntrans-85.917.1175.4-63.4173000112.7T139 Q142 V146 A254 F255 Q256 I260 I420 Q423T139-L258 HydrophobicContact CG2-CD2 3.65Å; Q142-L258 HydrophobicContact CB-CD2 4.35Å; Q142-L258 HydrophobicContact CB-CG 4.4Å; V146-L258 HydrophobicContact CG2-CD1 3.73Å; A254-L258 WeakPolarHBondContact O-CB 3.38Å; A254-L258 VanDerWaalsContact O-CG 3.23Å; A254-L258 WeakPolarHBondContact O-CG 3.44Å; A254-L258 PolarHBondContact O-N 2.75Å; F255-L258 CarbonylContact O-C 3.58Å; F255-L258 PolarHBondContact O-N 2.75Å; Q256-L258 VanDerWaalsContact C-N 3.28Å; Q256-L258 PolarHBondContact O-N 2.91Å; L258-I260 HydrophobicContact CB-CG1 4.27Å; L258-I260 PolarHBondContact O-N 2.87Å; L258-I260 VanDerWaalsContact O-N 3.09Å; L258-I420 HydrophobicContact CD1-CG1 4.12Å; L258-Q423 PolarHBondContact O-NE2 3.5Å; L258-Q423 PolarHBondContact O-OE1 2.93Å
259N88.3Confident92.5Very high113 Ų11357.2 Ų57.260%0.60429%0.288SS*.THydrogen-bonded Turntrans53.132.1178.5-67.6-38.8000114.2F255 Q256 A257 K261F255-N259 PolarHBondContact O-N 2.69Å; Q256-N259 PolarHBondContact O-N 3.15Å; A257-N259 PolarHBondContact O-N 2.91Å; N259-K261 PolarHBondContact O-N 3.49Å
260I88.6Confident92.5Very high22 Ų2255.5 Ų55.511%0.11327%0.272CS..  trans-77.9105.1172.6-57.7-176.6000107.6F255 L258 K264 M416F255-I260 HydrophobicContact CB-CB 4.21Å; F255-I260 HydrophobicContact CB-CD1 4.19Å; F255-I260 HydrophobicContact CD1-CD1 3.53Å; F255-I260 HydrophobicContact CE1-CD1 4.06Å; F255-I260 HydrophobicContact CG-CD1 3.98Å; F255-I260 WeakPolarHBondContact O-CB 3.48Å; F255-I260 PolarHBondContact O-N 3.36Å; L258-I260 HydrophobicContact CB-CG1 4.27Å; L258-I260 PolarHBondContact O-N 2.87Å; L258-I260 VanDerWaalsContact O-N 3.09Å; I260-K264 HydrophobicContact CG2-CB 3.82Å; I260-M416 HydrophobicContact CD1-CE 3.63Å; I260-M416 HydrophobicContact CD1-SD 4.5Å
261K88.3Confident92.5Very high137 Ų13753.3 Ų53.360%0.59626%0.256SS*.  trans-58.7152.1178.1-61.6-175.4178.2-176.20111.9N259 E263 K264 L265N259-K261 PolarHBondContact O-N 3.49Å; K261-E263 PolarHBondContact O-N 3.27Å; K261-E263 VanDerWaalsContact O-N 3.1Å; K261-K264 PolarHBondContact O-N 3.2Å; K261-L265 PolarHBondContact O-N 3.42Å; K261-L265 VanDerWaalsContact O-N 3.08Å
262D88Confident92.6Very high122 Ų12253.2 Ų53.265%0.65226%0.256SS*.Hα-helixtrans-54.5-32.7179.1-62.6-31.6000113.4L265 F266D262-L265 PolarHBondContact O-N 3.38Å; D262-F266 WeakPolarHBondContact O-CB 3.23Å; D262-F266 PolarHBondContact O-N 3.34Å
263E89.1Confident92.6Very high130 Ų13051.3 Ų51.361%0.60725%0.246SC*.Hα-helixtrans-58.6-48.1174.5-65.7173.3177.700112K261 F266 E267K261-E263 PolarHBondContact O-N 3.27Å; K261-E263 VanDerWaalsContact O-N 3.1Å; E263-F266 PolarHBondContact O-N 3.3Å; E263-E267 WeakPolarHBondContact O-CG 3.36Å; E263-E267 PolarHBondContact O-N 3.39Å; E263-E267 VanDerWaalsContact O-N 3.1Å
264K90.3Very high92.7Very high63 Ų6345.7 Ų45.727%0.27422%0.219SC..Hα-helixtrans-70.4-35.3178-72.2-175.2176.3-179.80111.4I260 K261 F266 E267 F268 L700I260-K264 HydrophobicContact CG2-CB 3.82Å; K261-K264 PolarHBondContact O-N 3.2Å; K264-F266 VanDerWaalsContact C-N 3.34Å; K264-E267 PolarHBondContact O-N 3.39Å; K264-F268 WeakPolarHBondContact O-CB 3.2Å; K264-F268 PolarHBondContact O-N 3.32Å; K264-L700 WeakPolarHBondContact O-CD2 3.48Å
265L92.6Very high92.8Very high25 Ų2545.7 Ų45.713%0.13122%0.219CC..Hα-helixtrans-62.8-42.3174.9-177.559.1000111.5L252 F255 K261 D262 E267 F268 Y269L252-L265 HydrophobicContact CD2-CD1 3.98Å; L252-L265 HydrophobicContact CD2-CD2 4.29Å; F255-L265 HydrophobicContact CD2-CD1 3.55Å; F255-L265 HydrophobicContact CE2-CD1 3.92Å; K261-L265 PolarHBondContact O-N 3.42Å; K261-L265 VanDerWaalsContact O-N 3.08Å; D262-L265 PolarHBondContact O-N 3.38Å; L265-E267 PolarHBondContact O-N 2.75Å; L265-F268 HydrophobicContact CD1-CD1 4.23Å; L265-F268 WeakPolarHBondContact O-CB 3.47Å; L265-F268 PolarHBondContact O-N 3.41Å; L265-Y269 HydrophobicContact CD1-CD1 4.39Å; L265-Y269 HydrophobicContact CD1-CE1 3.58Å; L265-Y269 HydrophobicContact CG-CE1 4.02Å; L265-Y269 HydrophobicContact CG-CE2 4.24Å; L265-Y269 WeakPolarHBondContact O-CD1 3.47Å; L265-Y269 PolarHBondContact O-N 3.28Å
266F93.5Very high92.9Very high83 Ų8345.5 Ų45.536%0.36422%0.219SC..Hα-helixtrans-63.2-42.1175.1-176-103.8000111.8Q221 F222 D262 E263 K264 F268 Y269 K270Q221-F266 VanDerWaalsContact NE2-CE2 3.28Å; Q221-F266 VanDerWaalsContact NE2-CZ 3.32Å; F222-F266 HydrophobicContact CE1-CD2 4.4Å; F222-F266 AromaticContact CE1-CE2 3.72Å; F222-F266 HydrophobicContact CE1-CE2 3.72Å; F222-F266 AromaticContact CE1-CZ 3.99Å; F222-F266 HydrophobicContact CE1-CZ 3.99Å; F222-F266 HydrophobicContact CZ-CD2 4.12Å; F222-F266 AromaticContact CZ-CE2 3.67Å; F222-F266 HydrophobicContact CZ-CE2 3.67Å; F222-F266 HydrophobicContact CZ-CZ 4.4Å; D262-F266 WeakPolarHBondContact O-CB 3.23Å; D262-F266 PolarHBondContact O-N 3.34Å; E263-F266 PolarHBondContact O-N 3.3Å; K264-F266 VanDerWaalsContact C-N 3.34Å; F266-F268 VanDerWaalsContact C-N 3.32Å; F266-F268 PolarHBondContact O-N 3.47Å; F266-Y269 PolarHBondContact O-N 3.33Å; F266-K270 HydrophobicContact CD1-CD 4.29Å; F266-K270 HydrophobicContact CD1-CG 4.47Å; F266-K270 HydrophobicContact CE1-CD 3.81Å; F266-K270 HydrophobicContact CE1-CG 4.13Å; F266-K270 HydrophobicContact CZ-CD 4.47Å; F266-K270 HydrophobicContact CZ-CG 4.46Å; F266-K270 WeakPolarHBondContact O-CG 3.31Å; F266-K270 PolarHBondContact O-N 2.88Å
267E93.5Very high93.1Very high24 Ų2439.6 Ų39.611%0.11219%0.191CC..Hα-helixtrans-64.7-34.6173.5-71.3-166.3-125.700113.6E263 K264 L265 K270 L271 S699 L700 I701E263-E267 WeakPolarHBondContact O-CG 3.36Å; E263-E267 PolarHBondContact O-N 3.39Å; E263-E267 VanDerWaalsContact O-N 3.1Å; K264-E267 PolarHBondContact O-N 3.39Å; L265-E267 PolarHBondContact O-N 2.75Å; E267-K270 WeakPolarHBondContact O-CB 3.46Å; E267-K270 PolarHBondContact O-N 2.99Å; E267-L271 PolarHBondContact O-N 3.47Å; E267-S699 VanDerWaalsContact CD-OG 3.31Å; E267-S699 WeakPolarHBondContact OE1-CA 3.43Å; E267-S699 WeakPolarHBondContact OE1-CB 3.41Å; E267-S699 PolarHBondContact OE1-OG 2.71Å; E267-S699 WeakPolarHBondContact OE2-CB 3.34Å; E267-S699 PolarHBondContact OE2-OG 2.95Å; E267-L700 HydrophobicContact CB-CB 3.76Å; E267-L700 HydrophobicContact CB-CD2 3.94Å; E267-L700 HydrophobicContact CB-CG 4.33Å; E267-L700 VanDerWaalsContact CD-N 3.29Å; E267-L700 HydrophobicContact CG-CB 4.41Å; E267-L700 PolarHBondContact OE1-N 3.48Å; E267-L700 WeakPolarHBondContact OE2-CA 3.22Å; E267-L700 WeakPolarHBondContact OE2-CB 3.44Å; E267-L700 PolarHBondContact OE2-N 3.27Å; E267-I701 HydrophobicContact CB-CG1 4.34Å; E267-I701 PolarHBondContact OE2-N 3.42Å
268F95.4Very high93.4Very high4 Ų438.7 Ų38.72%0.01818%0.183CC..Hα-helixtrans-61-44.9173.6171.3-103000110.8L150 V206 W248 F255 K264 L265 F266 K270 L271 L272 L412 L700L150-F268 HydrophobicContact CD2-CE2 3.86Å; L150-F268 HydrophobicContact CD2-CZ 3.98Å; V206-F268 HydrophobicContact CG2-CE1 4.42Å; V206-F268 HydrophobicContact CG2-CZ 3.77Å; W248-F268 HydrophobicContact CH2-CE1 4.12Å; F255-F268 AromaticContact CE2-CD1 3.88Å; F255-F268 HydrophobicContact CE2-CD1 3.88Å; F255-F268 AromaticContact CE2-CE1 3.64Å; F255-F268 HydrophobicContact CE2-CE1 3.64Å; F255-F268 HydrophobicContact CE2-CG 4.46Å; F255-F268 HydrophobicContact CE2-CZ 4.02Å; F255-F268 HydrophobicContact CZ-CD1 4.44Å; F255-F268 HydrophobicContact CZ-CE1 4.01Å; F255-F268 HydrophobicContact CZ-CE2 4.24Å; F255-F268 AromaticContact CZ-CZ 3.88Å; F255-F268 HydrophobicContact CZ-CZ 3.88Å; K264-F268 WeakPolarHBondContact O-CB 3.2Å; K264-F268 PolarHBondContact O-N 3.32Å; L265-F268 HydrophobicContact CD1-CD1 4.23Å; L265-F268 WeakPolarHBondContact O-CB 3.47Å; L265-F268 PolarHBondContact O-N 3.41Å; F266-F268 VanDerWaalsContact C-N 3.32Å; F266-F268 PolarHBondContact O-N 3.47Å; F268-K270 PolarHBondContact O-N 3.14Å; F268-L271 PolarHBondContact O-N 2.98Å; F268-L272 HydrophobicContact CD1-CD1 4.15Å; F268-L272 HydrophobicContact CE1-CD1 3.56Å; F268-L272 HydrophobicContact CE1-CG 4.36Å; F268-L272 HydrophobicContact CE2-CD1 4.36Å; F268-L272 HydrophobicContact CE2-CD2 4.48Å; F268-L272 HydrophobicContact CE2-CG 4.41Å; F268-L272 HydrophobicContact CZ-CD1 3.7Å; F268-L272 HydrophobicContact CZ-CD2 4.44Å; F268-L272 HydrophobicContact CZ-CG 4.23Å; F268-L272 WeakPolarHBondContact O-CG 3.28Å; F268-L272 PolarHBondContact O-N 2.88Å; F268-L412 HydrophobicContact CD2-CD1 3.87Å; F268-L412 HydrophobicContact CD2-CD2 4.22Å; F268-L412 HydrophobicContact CE2-CD1 4.18Å; F268-L412 HydrophobicContact CE2-CD2 4Å; F268-L700 HydrophobicContact CB-CD2 3.97Å
269Y96.1Very high93.6Very high38 Ų3838.8 Ų38.815%0.14918%0.184CC..Hα-helixtrans-61.7-43.6174.1-61.2-13.7000112.4F210 F222 W248 L252 L265 F266 L271 L272 S273F210-Y269 HydrophobicContact CD2-CD1 4.33Å; F210-Y269 AromaticContact CE2-CD1 3.81Å; F210-Y269 HydrophobicContact CE2-CD1 3.81Å; F210-Y269 HydrophobicContact CE2-CE1 4.48Å; F210-Y269 AromaticContact CE2-CG 3.86Å; F210-Y269 HydrophobicContact CE2-CG 3.86Å; F210-Y269 HydrophobicContact CZ-CG 4.39Å; F222-Y269 HydrophobicContact CE2-CD2 4.22Å; F222-Y269 HydrophobicContact CZ-CD2 4.06Å; F222-Y269 HydrophobicContact CZ-CG 4.36Å; W248-Y269 HydrophobicContact CH2-CD1 4.23Å; W248-Y269 AromaticContact CH2-CE1 3.78Å; W248-Y269 HydrophobicContact CH2-CE1 3.78Å; W248-Y269 HydrophobicContact CZ2-CD1 4.16Å; W248-Y269 AromaticContact CZ2-CE1 3.41Å; W248-Y269 HydrophobicContact CZ2-CE1 3.41Å; W248-Y269 VanDerWaalsContact CZ2-CE1 3.41Å; W248-Y269 AromaticContact CZ2-CZ 3.91Å; L252-Y269 HydrophobicContact CD2-CE1 4.41Å; L252-Y269 WeakPolarHBondContact CD2-OH 3.3Å; L265-Y269 HydrophobicContact CD1-CD1 4.39Å; L265-Y269 HydrophobicContact CD1-CE1 3.58Å; L265-Y269 HydrophobicContact CG-CE1 4.02Å; L265-Y269 HydrophobicContact CG-CE2 4.24Å; L265-Y269 WeakPolarHBondContact O-CD1 3.47Å; L265-Y269 PolarHBondContact O-N 3.28Å; F266-Y269 PolarHBondContact O-N 3.33Å; Y269-L271 VanDerWaalsContact C-N 3.29Å; Y269-L271 PolarHBondContact O-N 3.36Å; Y269-L272 PolarHBondContact O-N 2.94Å; Y269-S273 WeakPolarHBondContact O-CB 2.98Å; Y269-S273 PolarHBondContact O-N 2.85Å; Y269-S273 PolarHBondContact O-OG 2.63Å
270K96.3Very high93.8Very high40 Ų4034.1 Ų34.117%0.17416%0.16CC..Hα-helixtrans-56-45174.8-70.8-168.8-66.8168.50111.3F222 F266 E267 F268 S273 V274 L352 I701F222-K270 HydrophobicContact CD1-CG 4.32Å; F222-K270 HydrophobicContact CE1-CG 3.93Å; F266-K270 HydrophobicContact CD1-CD 4.29Å; F266-K270 HydrophobicContact CD1-CG 4.47Å; F266-K270 HydrophobicContact CE1-CD 3.81Å; F266-K270 HydrophobicContact CE1-CG 4.13Å; F266-K270 HydrophobicContact CZ-CD 4.47Å; F266-K270 HydrophobicContact CZ-CG 4.46Å; F266-K270 WeakPolarHBondContact O-CG 3.31Å; F266-K270 PolarHBondContact O-N 2.88Å; E267-K270 WeakPolarHBondContact O-CB 3.46Å; E267-K270 PolarHBondContact O-N 2.99Å; F268-K270 PolarHBondContact O-N 3.14Å; K270-S273 WeakPolarHBondContact O-CB 3.41Å; K270-S273 PolarHBondContact O-N 2.79Å; K270-V274 VanDerWaalsContact O-CG2 3.25Å; K270-V274 WeakPolarHBondContact O-CG2 3.44Å; K270-V274 PolarHBondContact O-N 3.34Å; K270-L352 HydrophobicContact CB-CB 4.4Å; K270-L352 HydrophobicContact CD-CD2 4.37Å; K270-L352 HydrophobicContact CG-CD2 4.13Å; K270-I701 HydrophobicContact CB-CD1 4.07Å; K270-I701 HydrophobicContact CD-CD1 4.48Å
271L96.4Very high94Very high0 Ų033.1 Ų33.10%016%0.155CC..Hα-helixtrans-69.3-39.6-178-173.461.6000113.3E267 F268 Y269 S273 V274 I275 L353 L408 L412 I704E267-L271 PolarHBondContact O-N 3.47Å; F268-L271 PolarHBondContact O-N 2.98Å; Y269-L271 VanDerWaalsContact C-N 3.29Å; Y269-L271 PolarHBondContact O-N 3.36Å; L271-S273 VanDerWaalsContact C-N 3.3Å; L271-S273 PolarHBondContact O-N 3Å; L271-V274 WeakPolarHBondContact O-CB 3.43Å; L271-V274 PolarHBondContact O-N 3.4Å; L271-I275 HydrophobicContact CG-CD1 4.48Å; L271-I275 WeakPolarHBondContact O-CG1 3.29Å; L271-I275 PolarHBondContact O-N 3.32Å; L271-I275 VanDerWaalsContact O-N 3.08Å; L271-L353 HydrophobicContact CD1-CD2 4.33Å; L271-L408 HydrophobicContact CD1-CB 4.34Å; L271-L408 HydrophobicContact CD1-CD1 4.21Å; L271-L408 HydrophobicContact CD1-CD2 4.46Å; L271-L412 HydrophobicContact CD2-CB 3.89Å; L271-L412 HydrophobicContact CD2-CD1 4.16Å; L271-L412 HydrophobicContact CD2-CD2 3.99Å; L271-L412 HydrophobicContact CD2-CG 4.22Å; L271-I704 HydrophobicContact CD2-CD1 3.3Å; L271-I704 HydrophobicContact CD2-CG1 4.47Å; L271-I704 HydrophobicContact CD2-CG2 4.01Å
272L96.8Very high94.1Very high0 Ų029.9 Ų29.90%014%0.142CC..Hα-helixtrans-60.3-44172.6-68-178.9000111V206 F207 F210 W248 F268 Y269 V274 I275 L276 L412V206-L272 HydrophobicContact CG1-CD2 4.16Å; V206-L272 HydrophobicContact CG2-CD1 3.66Å; V206-L272 HydrophobicContact CG2-CD2 3.96Å; V206-L272 HydrophobicContact CG2-CG 4.47Å; F207-L272 HydrophobicContact CD1-CD2 4.25Å; F207-L272 HydrophobicContact CE1-CD2 3.93Å; F210-L272 HydrophobicContact CB-CD1 4.05Å; F210-L272 HydrophobicContact CD1-CB 3.78Å; F210-L272 HydrophobicContact CD1-CD1 4Å; F210-L272 HydrophobicContact CD2-CD1 4.24Å; F210-L272 HydrophobicContact CE1-CB 3.77Å; F210-L272 HydrophobicContact CG-CB 4.47Å; F210-L272 HydrophobicContact CG-CD1 3.85Å; F210-L272 HydrophobicContact CZ-CB 4.44Å; W248-L272 HydrophobicContact CH2-CD1 4.3Å; F268-L272 HydrophobicContact CD1-CD1 4.15Å; F268-L272 HydrophobicContact CE1-CD1 3.56Å; F268-L272 HydrophobicContact CE1-CG 4.36Å; F268-L272 HydrophobicContact CE2-CD1 4.36Å; F268-L272 HydrophobicContact CE2-CD2 4.48Å; F268-L272 HydrophobicContact CE2-CG 4.41Å; F268-L272 HydrophobicContact CZ-CD1 3.7Å; F268-L272 HydrophobicContact CZ-CD2 4.44Å; F268-L272 HydrophobicContact CZ-CG 4.23Å; F268-L272 WeakPolarHBondContact O-CG 3.28Å; F268-L272 PolarHBondContact O-N 2.88Å; Y269-L272 PolarHBondContact O-N 2.94Å; L272-V274 PolarHBondContact O-N 3.49Å; L272-I275 PolarHBondContact O-N 3.33Å; L272-L276 WeakPolarHBondContact O-CG 3.44Å; L272-L276 PolarHBondContact O-N 3.5Å; L272-L412 HydrophobicContact CD2-CD2 4.34Å
273S96.6Very high94.4Very high0 Ų024.9 Ų24.90%011%0.114CC..Hα-helixtrans-62.3-40.4176.6-600000112.4F210 F222 L224 Y269 K270 L271 I275 L276 L277F210-S273 WeakPolarHBondContact CE1-OG 3.43Å; F210-S273 WeakPolarHBondContact CZ-OG 3.3Å; F222-S273 WeakPolarHBondContact CB-OG 3.47Å; L224-S273 WeakPolarHBondContact CD1-OG 3.34Å; Y269-S273 WeakPolarHBondContact O-CB 2.98Å; Y269-S273 PolarHBondContact O-N 2.85Å; Y269-S273 PolarHBondContact O-OG 2.63Å; K270-S273 WeakPolarHBondContact O-CB 3.41Å; K270-S273 PolarHBondContact O-N 2.79Å; L271-S273 VanDerWaalsContact C-N 3.3Å; L271-S273 PolarHBondContact O-N 3Å; S273-I275 PolarHBondContact O-N 3.34Å; S273-L276 PolarHBondContact O-N 2.88Å; S273-L277 WeakPolarHBondContact O-CB 3.35Å; S273-L277 VanDerWaalsContact O-CG 3.25Å; S273-L277 WeakPolarHBondContact O-CG 3.13Å; S273-L277 PolarHBondContact O-N 3.15Å
274V96.7Very high94.4Very high0 Ų022.1 Ų22.10%010%0.103CC..Hα-helixtrans-57.2-48.2172.71660000111.1K270 L271 L272 L277 L278 A349 L352 L353 L408K270-V274 VanDerWaalsContact O-CG2 3.25Å; K270-V274 WeakPolarHBondContact O-CG2 3.44Å; K270-V274 PolarHBondContact O-N 3.34Å; L271-V274 WeakPolarHBondContact O-CB 3.43Å; L271-V274 PolarHBondContact O-N 3.4Å; L272-V274 PolarHBondContact O-N 3.49Å; V274-L277 PolarHBondContact O-N 3.04Å; V274-L278 HydrophobicContact CG1-CD1 3.89Å; V274-L278 HydrophobicContact CG1-CG 4.47Å; V274-L278 WeakPolarHBondContact O-CB 3.22Å; V274-L278 VanDerWaalsContact O-CG 3.24Å; V274-L278 WeakPolarHBondContact O-CG 3.42Å; V274-L278 PolarHBondContact O-N 3.21Å; V274-A349 HydrophobicContact CG1-CB 4.28Å; V274-A349 HydrophobicContact CG2-CB 4.43Å; V274-A349 WeakPolarHBondContact CG2-O 3.33Å; V274-L352 HydrophobicContact CG2-CB 3.6Å; V274-L352 HydrophobicContact CG2-CD1 4.32Å; V274-L353 HydrophobicContact CG1-CD1 4.04Å; V274-L353 HydrophobicContact CG1-CD2 4.07Å; V274-L353 HydrophobicContact CG1-CG 3.97Å; V274-L353 HydrophobicContact CG2-CD2 4.18Å; V274-L353 HydrophobicContact CG2-CG 3.85Å; V274-L408 HydrophobicContact CG1-CD1 4.07Å
275I96.6Very high94.3Very high0 Ų019.6 Ų19.60%09%0.094CC..Hα-helixtrans-63.7-43.6-179.9-69.6167.6000110.9F207 L271 L272 S273 L278 N279 V405 Y409F207-I275 HydrophobicContact CD1-CG2 4.46Å; F207-I275 HydrophobicContact CE1-CB 3.99Å; F207-I275 HydrophobicContact CE1-CD1 4.35Å; F207-I275 HydrophobicContact CE1-CG2 3.46Å; F207-I275 VanDerWaalsContact CE1-CG2 3.46Å; F207-I275 HydrophobicContact CZ-CB 4.49Å; F207-I275 HydrophobicContact CZ-CD1 4.39Å; F207-I275 HydrophobicContact CZ-CG2 3.65Å; L271-I275 HydrophobicContact CG-CD1 4.48Å; L271-I275 WeakPolarHBondContact O-CG1 3.29Å; L271-I275 PolarHBondContact O-N 3.32Å; L271-I275 VanDerWaalsContact O-N 3.08Å; L272-I275 PolarHBondContact O-N 3.33Å; S273-I275 PolarHBondContact O-N 3.34Å; I275-L278 PolarHBondContact O-N 3.03Å; I275-N279 WeakPolarHBondContact O-CB 3.19Å; I275-N279 PolarHBondContact O-N 3.09Å; I275-N279 PolarHBondContact O-ND2 3.41Å; I275-V405 HydrophobicContact CG1-CG1 4.41Å; I275-V405 HydrophobicContact CG2-CG1 3.65Å; I275-Y409 HydrophobicContact CD1-CD2 3.81Å; I275-Y409 HydrophobicContact CD1-CG 4.41Å
276L95.8Very high93.5Very high0 Ų022.5 Ų22.50%011%0.107CC..Hα-helixtrans-60.5-49.3176.5-74.9165000112.1F195 F207 F210 L211 L224 Y229 L272 S273 L278 N279 S280F195-L276 HydrophobicContact CE2-CD2 3.93Å; F195-L276 HydrophobicContact CZ-CD2 3.75Å; F207-L276 HydrophobicContact CB-CD2 4.45Å; F207-L276 HydrophobicContact CD1-CD2 4.31Å; F207-L276 HydrophobicContact CD1-CG 4.25Å; F210-L276 HydrophobicContact CD1-CD1 3.74Å; F210-L276 HydrophobicContact CE1-CD1 3.98Å; L211-L276 HydrophobicContact CD1-CD2 3.75Å; L211-L276 HydrophobicContact CD2-CD1 3.84Å; L211-L276 HydrophobicContact CD2-CD2 4.32Å; L211-L276 HydrophobicContact CG-CD1 3.94Å; L211-L276 HydrophobicContact CG-CD2 4.11Å; L224-L276 HydrophobicContact CD1-CD1 4.07Å; L224-L276 HydrophobicContact CD2-CB 4.06Å; Y229-L276 HydrophobicContact CD2-CD2 3.93Å; Y229-L276 HydrophobicContact CE2-CD2 4.25Å; L272-L276 WeakPolarHBondContact O-CG 3.44Å; L272-L276 PolarHBondContact O-N 3.5Å; S273-L276 PolarHBondContact O-N 2.88Å; L276-L278 PolarHBondContact O-N 3.38Å; L276-N279 PolarHBondContact O-N 2.93Å; L276-S280 PolarHBondContact O-N 2.9Å
277L95.6Very high91.9Very high6 Ų626.4 Ų26.43%0.03113%0.127CC..Hα-helixtrans-57.5-49.4177.4-75.4169000110.9G223 L224 S273 V274 N279 S280 K345 M348 A349 L352G223-L277 WeakPolarHBondContact O-CD2 3.2Å; L224-L277 HydrophobicContact CD2-CD2 4.09Å; L224-L277 HydrophobicContact CD2-CG 3.99Å; S273-L277 WeakPolarHBondContact O-CB 3.35Å; S273-L277 VanDerWaalsContact O-CG 3.25Å; S273-L277 WeakPolarHBondContact O-CG 3.13Å; S273-L277 PolarHBondContact O-N 3.15Å; V274-L277 PolarHBondContact O-N 3.04Å; L277-N279 PolarHBondContact O-N 3.08Å; L277-S280 PolarHBondContact O-N 2.92Å; L277-S280 VanDerWaalsContact O-N 3.17Å; L277-S280 PolarHBondContact O-OG 2.83Å; L277-K345 HydrophobicContact CD2-CB 4.27Å; L277-K345 HydrophobicContact CD2-CG 4.44Å; L277-M348 HydrophobicContact CD1-CB 4.11Å; L277-M348 HydrophobicContact CD1-CG 3.85Å; L277-A349 HydrophobicContact CB-CB 4.19Å; L277-A349 HydrophobicContact CD1-CB 4.2Å; L277-L352 HydrophobicContact CD1-CD1 3.91Å
278L95.6Very high89.6Confident1 Ų130.3 Ų30.31%0.00516%0.157CC..Hα-helixtrans-64-41.7-179.4-68.8176.2000112.2V274 I275 L276 S280 V281 I346 A349 F368 R401 F404 V405V274-L278 HydrophobicContact CG1-CD1 3.89Å; V274-L278 HydrophobicContact CG1-CG 4.47Å; V274-L278 WeakPolarHBondContact O-CB 3.22Å; V274-L278 VanDerWaalsContact O-CG 3.24Å; V274-L278 WeakPolarHBondContact O-CG 3.42Å; V274-L278 PolarHBondContact O-N 3.21Å; I275-L278 PolarHBondContact O-N 3.03Å; L276-L278 PolarHBondContact O-N 3.38Å; L278-S280 PolarHBondContact O-N 3.07Å; L278-V281 WeakPolarHBondContact O-CB 3.49Å; L278-V281 PolarHBondContact O-N 3.18Å; L278-V281 VanDerWaalsContact O-N 3.1Å; L278-I346 HydrophobicContact CD2-CG1 4.39Å; L278-A349 HydrophobicContact CD2-CB 4.14Å; L278-A349 HydrophobicContact CG-CB 4.17Å; L278-F368 HydrophobicContact CD1-CZ 4.44Å; L278-F368 HydrophobicContact CD2-CE2 4.26Å; L278-F368 HydrophobicContact CD2-CZ 3.85Å; L278-R401 VanDerWaalsContact O-CD 3.29Å; L278-R401 WeakPolarHBondContact O-CD 3.38Å; L278-F404 HydrophobicContact CD1-CD1 3.7Å; L278-F404 HydrophobicContact CD1-CE1 3.82Å; L278-V405 HydrophobicContact CB-CG2 3.79Å; L278-V405 HydrophobicContact CD1-CG2 4.07Å
279N95.2Very high86.8Confident6 Ų634.7 Ų34.73%0.03219%0.187CC..Hα-helixtrans-60.5-27.8177-80.8-22.4000113.2A193 F195 Y229 I275 L276 L277A193-N279 PolarHBondContact O-ND2 2.8Å; F195-N279 HydrophobicContact CD2-CB 4.49Å; F195-N279 WeakPolarHBondContact CE1-ND2 3.47Å; F195-N279 HydrophobicContact CE2-CB 4.29Å; F195-N279 VanDerWaalsContact CZ-ND2 3.32Å; F195-N279 WeakPolarHBondContact CZ-ND2 3.29Å; Y229-N279 VanDerWaalsContact OH-C 3.29Å; Y229-N279 WeakPolarHBondContact OH-CB 3.48Å; Y229-N279 PolarHBondContact OH-O 3.12Å; I275-N279 WeakPolarHBondContact O-CB 3.19Å; I275-N279 PolarHBondContact O-N 3.09Å; I275-N279 PolarHBondContact O-ND2 3.41Å; L276-N279 PolarHBondContact O-N 2.93Å; L277-N279 PolarHBondContact O-N 3.08Å
280S92.1Very high83.8Confident15 Ų1539.1 Ų39.111%0.10522%0.218CC..THydrogen-bonded Turntrans-83.5-3.7178.576.40000115.4Y229 L276 L277 L278 H282 K345Y229-S280 PolarHBondContact OH-N 2.73Å; L276-S280 PolarHBondContact O-N 2.9Å; L277-S280 PolarHBondContact O-N 2.92Å; L277-S280 VanDerWaalsContact O-N 3.17Å; L277-S280 PolarHBondContact O-OG 2.83Å; L278-S280 PolarHBondContact O-N 3.07Å; S280-H282 PolarHBondContact O-CE1 3.46Å; S280-H282 VanDerWaalsContact O-CE1 3.25Å; S280-H282 PolarHBondContact O-ND1 3.44Å; S280-K345 PolarHBondContact O-NZ 3.34Å; S280-K345 WeakPolarHBondContact OG-CD 3.2Å
281V93Very high80.5Confident1 Ų145 Ų451%0.00625%0.251CS..  trans-79.4133.3-179.91670000111.1L278 F283 D342 K345 I346 R401L278-V281 WeakPolarHBondContact O-CB 3.49Å; L278-V281 PolarHBondContact O-N 3.18Å; L278-V281 VanDerWaalsContact O-N 3.1Å; V281-F283 HydrophobicContact CG1-CE1 4.37Å; V281-F283 HydrophobicContact CG1-CE2 4.33Å; V281-F283 HydrophobicContact CG1-CZ 4.08Å; V281-D342 HydrophobicContact CG1-CB 4.26Å; V281-K345 HydrophobicContact CG2-CB 4.19Å; V281-I346 HydrophobicContact CB-CG1 4.48Å; V281-I346 HydrophobicContact CG1-CD1 3.82Å; V281-I346 HydrophobicContact CG1-CG1 4.12Å; V281-I346 HydrophobicContact CG2-CD1 4.19Å; V281-I346 HydrophobicContact CG2-CG1 3.55Å; V281-R401 PolarHBondContact O-NH1 2.84Å
282H91.3Very high77.4Confident69 Ų6950.6 Ų50.632%0.31928%0.279SS..  trans-111.7145.3175-58.774.3000111S280 D342S280-H282 PolarHBondContact O-CE1 3.46Å; S280-H282 VanDerWaalsContact O-CE1 3.25Å; S280-H282 PolarHBondContact O-ND1 3.44Å; H282-D342 PolarHBondContact N-OD2 2.95Å
283F93.1Very high74.3Confident17 Ų1757.2 Ų57.28%0.07532%0.315CS..EExtended strand (participates in β ladder)trans-109.2133.4174.5-61.4-77.5000109V281 I338 F368 L369 V394 A397 R398 R401V281-F283 HydrophobicContact CG1-CE1 4.37Å; V281-F283 HydrophobicContact CG1-CE2 4.33Å; V281-F283 HydrophobicContact CG1-CZ 4.08Å; F283-I338 HydrophobicContact CD1-CD1 4.37Å; F283-I338 HydrophobicContact CD1-CG1 3.83Å; F283-I338 HydrophobicContact CE1-CD1 3.95Å; F283-I338 HydrophobicContact CE1-CG1 3.92Å; F283-F368 HydrophobicContact CE1-CB 4.08Å; F283-F368 HydrophobicContact CZ-CB 4.1Å; F283-L369 HydrophobicContact CD1-CD2 4.11Å; F283-L369 HydrophobicContact CE1-CD2 4.27Å; F283-V394 HydrophobicContact CB-CG1 4.13Å; F283-A397 HydrophobicContact CB-CB 4.44Å; F283-A397 HydrophobicContact CD1-CB 3.64Å; F283-A397 HydrophobicContact CD2-CB 4.07Å; F283-A397 HydrophobicContact CE1-CB 3.8Å; F283-A397 HydrophobicContact CE2-CB 4.2Å; F283-A397 WeakPolarHBondContact CE2-O 3.3Å; F283-A397 HydrophobicContact CG-CB 3.79Å; F283-A397 HydrophobicContact CZ-CB 4.08Å; F283-R398 HydrophobicContact CD2-CB 4.14Å; F283-R401 HydrophobicContact CE2-CB 3.87Å; F283-R401 HydrophobicContact CE2-CG 4.4Å; F283-R401 HydrophobicContact CZ-CB 4.09Å
284I90.6Very high71.6Confident73 Ų7363.3 Ų63.337%0.37435%0.347SS..EExtended strand (participates in β ladder)trans-116.3154.6-172.1-52.9169.5000108.9A336 S337I284-A336 CarbonylContact O-C 3.57Å; I284-A336 WeakPolarHBondContact O-CA 3.48Å; I284-S337 PolarHBondContact N-O 3.03Å; I284-S337 PolarHBondContact O-N 3.42Å; I284-S337 PolarHBondContact O-OG 3.2Å
285S87.1Confident68.5Low10 Ų1072.2 Ų72.27%0.0739%0.388CS..EExtended strand (participates in β ladder)trans-69.7139.5171.5173.70000111E287 S334S285-E287 PolarHBondContact O-N 3.36Å; S285-E287 PolarHBondContact OG-N 3.48Å; S285-S334 WeakPolarHBondContact CA-OG 3.35Å; S285-S334 WeakPolarHBondContact CB-OG 3.31Å; S285-S334 VanDerWaalsContact OG-CB 3.27Å; S285-S334 WeakPolarHBondContact OG-CB 3.02Å; S285-S334 PolarHBondContact OG-OG 2.87Å
286M76.9Confident65.5Low85 Ų8579.7 Ų79.742%0.41942%0.423SS..G310 helixtrans-69.3-5.4178.8-167.7156.7164.400114.8S288 C289 L335M286-S288 PolarHBondContact O-N 2.83Å; M286-C289 PolarHBondContact O-N 3.28Å; M286-L335 HydrophobicContact CB-CB 4.26Å; M286-L335 PolarHBondContact N-O 3.11Å
287E60.4Low62.6Low166 Ų16686.3 Ų86.378%0.77646%0.457SS*.G310 helixtrans-64.76-176.1-70.2-176.9161.600116S285S285-E287 PolarHBondContact O-N 3.36Å; S285-E287 PolarHBondContact OG-N 3.48Å
288S45.2Very low59.4Low105 Ų10592.5 Ų92.573%0.73449%0.49SS*.G310 helixtrans-94.8-0.6173.6-49.20000115.1M286M286-S288 PolarHBondContact O-N 2.83Å
289C34.7Very low56.3Low96 Ų9698.1 Ų98.165%0.64953%0.53SS*.SBendtrans-138.4130.8176.2-67.10000111.6M286 N291M286-C289 PolarHBondContact O-N 3.28Å; C289-N291 PolarHBondContact O-N 2.97Å
290V33.7Very low53.3Low132 Ų132101.9 Ų101.980%0.856%0.556SS**  trans-48.5134.8176.2178.70000110.5I292V290-I292 PolarHBondContact O-N 3.36Å
291N27.1Very low50.1Low162 Ų162111.4 Ų111.487%0.86659%0.592SS**  trans-34.9106.1177.1-66.1-40.9000112.8C289C289-N291 PolarHBondContact O-N 2.97Å
292I32.3Very low46.9Very low118 Ų118119.4 Ų119.461%0.60563%0.633SS**  trans-106.8117.8163-61.3172.3000106.4V290 L294V290-I292 PolarHBondContact O-N 3.36Å; I292-L294 PolarHBondContact O-N 2.79Å
293D30.3Very low44Very low139 Ų139122.2 Ų122.274%0.74366%0.658SS**  trans-54.7127.3174.3-94.6-38.1000110.7H295 Q296D293-H295 PolarHBondContact O-N 3.2Å; D293-Q296 PolarHBondContact O-N 3.41Å
294L39.4Very low40.6Very low129 Ų129126.2 Ų126.268%0.67569%0.688SS**THydrogen-bonded Turntrans-57.7-6.4-174.8-81.6148.8000115.3I292I292-L294 PolarHBondContact O-N 2.79Å
295H33.5Very low37.5Very low187 Ų187130.2 Ų130.287%0.86671%0.71SS**THydrogen-bonded Turntrans-89.7-2.1177.9-84.7-73.4000114.9D293D293-H295 PolarHBondContact O-N 3.2Å
296Q33.1Very low34.5Very low157 Ų157135.1 Ų135.173%0.73474%0.744SS**  trans-113.115.8-177.2-71-170.31.100116D293 N298D293-Q296 PolarHBondContact O-N 3.41Å; Q296-N298 PolarHBondContact O-N 2.87Å
297I34.9Very low32.1Very low139 Ų139137 Ų13771%0.71376%0.763SS**  trans-76.773.9166.2-52.5177.9000108.7
298N28.2Very low30.4Very low135 Ų135135 Ų13572%0.72277%0.766SS**  trans-85.8136156.7-86.2-18000108.2Q296 S300Q296-N298 PolarHBondContact O-N 2.87Å; N298-S300 VanDerWaalsContact C-N 3.25Å; N298-S300 PolarHBondContact O-N 2.73Å
299S30.9Very low29.5Very low120 Ų120139 Ų13984%0.83977%0.772SS**SBendtrans-63.247.9-168.3-1770000117
300S30.9Very low29Very low85 Ų85139.2 Ų139.259%0.59478%0.775SS**  trans-144.522.3-176.868.30000117.8N298N298-S300 VanDerWaalsContact C-N 3.25Å; N298-S300 PolarHBondContact O-N 2.73Å
301Y26.5Very low28.7Very low215 Ų215138.2 Ų138.284%0.84377%0.774SS**  trans-12778.7171.4-69.5-78.5000111.8
302L25.7Very low28.6Very low168 Ų168139.6 Ų139.688%0.8877%0.772SS**  trans-71122.4148.7-85102000107.4S304L302-S304 PolarHBondContact O-N 3Å
303P28.7Very low28.4Very low129 Ų129142 Ų14284%0.83879%0.786SS**  trans-72.3104.2178.127.1-29.5000109.7N305P303-N305 PolarHBondContact O-N 3.27Å
304S23.3Very low28.1Very low100 Ų100142.4 Ų142.470%0.69979%0.788SS**  trans-67.1120.1162.5570000109.7L302L302-S304 PolarHBondContact O-N 3Å
305N25Very low27.6Very low157 Ų157143.4 Ų143.484%0.8479%0.794SS**  trans45.390.6152.3-62.4-13.3000117.1P303P303-N305 PolarHBondContact O-N 3.27Å
306S23.6Very low27.4Very low114 Ų114143.3 Ų143.380%0.79779%0.794SS**  trans-138.2105.5152.9-57.10000108.4C308S306-C308 PolarHBondContact O-N 3.2Å
307P27Very low27.1Very low124 Ų124144.5 Ų144.581%0.80580%0.799SS**  trans-70.1118.7-17626.8-30.6000109.8H309P307-H309 PolarHBondContact O-N 3.25Å
308C25.1Very low26.7Very low125 Ų125143.2 Ų143.285%0.84579%0.794SS**  trans-57.5122.2174.750.80000110.3S306 S310S306-C308 PolarHBondContact O-N 3.2Å; C308-S310 PolarHBondContact O-N 3.33Å; C308-S310 VanDerWaalsContact O-N 3.11Å
309H24.7Very low26.6Very low187 Ų187146.1 Ų146.187%0.86680%0.796SS**  trans-52.5113.8179.3-103.7-80000111.5P307 S311P307-H309 PolarHBondContact O-N 3.25Å; H309-S311 PolarHBondContact O-N 3.35Å
310S24.7Very low26.4Very low102 Ų102149.1 Ų149.171%0.71380%0.797SS**  trans-63.494165.556.50000110.4C308 K312C308-S310 PolarHBondContact O-N 3.33Å; C308-S310 VanDerWaalsContact O-N 3.11Å; S310-K312 PolarHBondContact O-N 2.94Å
311S27.8Very low26.3Very low110 Ų110150.3 Ų150.377%0.76980%0.796SS**  trans-79.2101.3158.857.80000108.4H309 L313H309-S311 PolarHBondContact O-N 3.35Å; S311-L313 PolarHBondContact O-N 3.43Å
312K24.5Very low26.2Very low192 Ų192146.5 Ų146.584%0.83579%0.786SS**  trans-51112171.1-64.3169.9178.2176.10110.4S310S310-K312 PolarHBondContact O-N 2.94Å
313L28.3Very low26.5Very low169 Ų169144 Ų14489%0.88577%0.769SS**  trans-134.2106.7157.1-100.1159000108.4S311 N315S311-L313 PolarHBondContact O-N 3.43Å; L313-N315 PolarHBondContact O-N 2.97Å
314N24.5Very low26.5Very low147 Ų147145 Ų14579%0.78676%0.763SS**  trans-51.1122.2169.9-69.2-27.8000109.8
315N28.3Very low26.9Very low150 Ų150147.6 Ų147.680%0.80276%0.764SS**  trans-170.975.9143.2-90.4-18.5000108.8L313 Q317L313-N315 PolarHBondContact O-N 2.97Å; N315-Q317 PolarHBondContact O-N 2.73Å
316Q30.1Very low27.4Very low184 Ų184148.3 Ų148.386%0.8676%0.755SS**THydrogen-bonded Turntrans-6684.8158-72.9176.8-18.100108
317Q27Very low28.4Very low182 Ų182145.3 Ų145.385%0.8573%0.729SS**THydrogen-bonded Turntrans-171.35.1157.5-108.316528.200116.7N315N315-Q317 PolarHBondContact O-N 2.73Å
318N25.5Very low29.4Very low113 Ų113146.8 Ų146.860%0.60472%0.719SS**  trans-126.242.4178.9-81.1-31.5000114.1H320N318-H320 VanDerWaalsContact C-N 3.31Å; N318-H320 PolarHBondContact O-N 3.22Å
319Y27.7Very low30.5Very low196 Ų196145.5 Ų145.577%0.76971%0.712SS**THydrogen-bonded Turntrans-75.2-10.1179-101.1-86.6000115
320H26.5Very low32.1Very low183 Ų183138 Ų13885%0.84768%0.684SS**THydrogen-bonded Turntrans-96.2-16.6-179.8-87.2-39.2000116.2N318N318-H320 VanDerWaalsContact C-N 3.31Å; N318-H320 PolarHBondContact O-N 3.22Å
321N26.9Very low34.5Very low110 Ų110137 Ų13759%0.58867%0.671SS**THydrogen-bonded Turntrans-106.2-3.1-175.9-74.3-17.3000115.3
322Q26.4Very low36.8Very low135 Ų135135.6 Ų135.663%0.63166%0.659SS**THydrogen-bonded Turntrans-90.2-6-178.6-71.4-173.3-9.800115.3Q324Q322-Q324 VanDerWaalsContact C-N 3.35Å
323H30.1Very low39.5Very low114 Ų114129.7 Ų129.753%0.52865%0.646SS.*THydrogen-bonded Turntrans-79.3-15.5173-83.1-80.4000113.7
324Q30Very low42.3Very low151 Ų151122.3 Ų122.371%0.70661%0.609SS**THydrogen-bonded Turntrans-75.7-28.5178.8-70.4-1779.500113Q322Q322-Q324 VanDerWaalsContact C-N 3.35Å
325E31.5Very low45.4Very low155 Ų155119.4 Ų119.472%0.72459%0.593SS**THydrogen-bonded Turntrans-94.2-22.3-173.3-69.8-171.6158.200114.8Q327E325-Q327 VanDerWaalsContact C-N 3.31Å; E325-Q327 PolarHBondContact O-N 2.71Å
326R35.3Very low48.3Very low172 Ų172112.8 Ų112.865%0.64956%0.559SS**G310 helixtrans-71.8-18.3-179.2-80.2-158-71.3-138.8-2114.9Y328R326-Y328 PolarHBondContact O-N 2.93Å
327Q44.3Very low51.3Low51 Ų51105.7 Ų105.724%0.23853%0.529CS..G310 helixtrans-69.6-13.4-177.7-71.3-170.4-19.400113.9E325E325-Q327 VanDerWaalsContact C-N 3.31Å; E325-Q327 PolarHBondContact O-N 2.71Å
328Y48Very low54.4Low155 Ų15598 Ų9861%0.60849%0.494SS*.G310 helixtrans-138.618.9-175.7-65.1-79.3000114.2R326 G330R326-Y328 PolarHBondContact O-N 2.93Å; Y328-G330 PolarHBondContact O-N 2.6Å
329S48.4Very low57.5Low98 Ų9894.2 Ų94.269%0.68548%0.476SS*.  trans-80.219.2-169.166.60000116
330G58.2Low60.4Low28 Ų2889.5 Ų89.529%0.28947%0.471SS..SBendtrans-127.9145.4179.800000112.3Y328 P332Y328-G330 PolarHBondContact O-N 2.6Å; G330-P332 WeakPolarHBondContact O-CD 3.46Å
331D76.3Confident63.4Low83 Ų8386 Ų8644%0.44446%0.458SS..  trans-58.2118174.4175.512000110A333 S334D331-A333 PolarHBondContact O-N 3.41Å; D331-A333 VanDerWaalsContact O-N 3.1Å; D331-A333 PolarHBondContact OD1-N 2.98Å; D331-S334 WeakPolarHBondContact O-CB 3.27Å; D331-S334 PolarHBondContact O-N 2.78Å; D331-S334 PolarHBondContact O-OG 2.63Å
332P75.9Confident66.5Low79 Ų7981.1 Ų81.151%0.51343%0.432SS..THydrogen-bonded Turntrans-61.1-19.9-179.425.1-35.7000114.1G330 T393 S395G330-P332 WeakPolarHBondContact O-CD 3.46Å; P332-T393 PolarHBondContact O-OG1 2.96Å; P332-S395 WeakPolarHBondContact O-CB 3.44Å; P332-S395 PolarHBondContact O-N 2.81Å; P332-S395 VanDerWaalsContact O-N 3.16Å
333A81.2Confident69.7Low68 Ų6877.9 Ų77.956%0.56242%0.419SS*.THydrogen-bonded Turntrans-88.3-14.1177.600000113.7D331 T393D331-A333 PolarHBondContact O-N 3.41Å; D331-A333 VanDerWaalsContact O-N 3.1Å; D331-A333 PolarHBondContact OD1-N 2.98Å; A333-T393 WeakPolarHBondContact O-CG2 3.45Å
334S86.6Confident72.6Confident14 Ų1478.9 Ų78.910%0.09842%0.424CS..SBendtrans-68.4158.4176.968.60000112.5S285 D331 T393 V394S285-S334 WeakPolarHBondContact CA-OG 3.35Å; S285-S334 WeakPolarHBondContact CB-OG 3.31Å; S285-S334 VanDerWaalsContact OG-CB 3.27Å; S285-S334 WeakPolarHBondContact OG-CB 3.02Å; S285-S334 PolarHBondContact OG-OG 2.87Å; D331-S334 WeakPolarHBondContact O-CB 3.27Å; D331-S334 PolarHBondContact O-N 2.78Å; D331-S334 PolarHBondContact O-OG 2.63Å; S334-T393 CarbonylContact O-C 3.43Å; S334-T393 WeakPolarHBondContact O-CA 3.43Å; S334-T393 VanDerWaalsContact O-CB 3.26Å; S334-T393 WeakPolarHBondContact O-CB 3.42Å; S334-V394 PolarHBondContact O-N 2.87Å
335L89Confident75.7Confident87 Ų8774.6 Ų74.646%0.45540%0.403SS..BIsolated β-bridgetrans-62.4133.9173.1-70.7175.6000110.6M286 A391M286-L335 HydrophobicContact CB-CB 4.26Å; M286-L335 PolarHBondContact N-O 3.11Å; L335-A391 HydrophobicContact CD2-CB 3.77Å
336A90.4Very high78.7Confident11 Ų1167.3 Ų67.39%0.09137%0.368CS..EExtended strand (participates in β ladder)trans-78.1139.4-178.700000112.3I284 L369 C392 V394 A397I284-A336 CarbonylContact O-C 3.57Å; I284-A336 WeakPolarHBondContact O-CA 3.48Å; A336-L369 HydrophobicContact CB-CD2 3.63Å; A336-C392 WeakPolarHBondContact CB-O 3.29Å; A336-C392 PolarHBondContact N-O 2.86Å; A336-V394 HydrophobicContact CB-CG2 4.25Å; A336-A397 HydrophobicContact CB-CB 3.76Å
337S91.1Very high81.5Confident34 Ų3460.2 Ų60.224%0.23834%0.344CS..EExtended strand (participates in β ladder)trans-127.1166.9164.267.60000109.7I284I284-S337 PolarHBondContact N-O 3.03Å; I284-S337 PolarHBondContact O-N 3.42Å; I284-S337 PolarHBondContact O-OG 3.2Å
338I92.2Very high83.9Confident22 Ų2260 Ų6011%0.11334%0.344CS..EExtended strand (participates in β ladder)trans-124.5137.4-179.1-53.2170.5000107.6F283 D342 I343 I346 P365 L369F283-I338 HydrophobicContact CD1-CD1 4.37Å; F283-I338 HydrophobicContact CD1-CG1 3.83Å; F283-I338 HydrophobicContact CE1-CD1 3.95Å; F283-I338 HydrophobicContact CE1-CG1 3.92Å; I338-D342 HydrophobicContact CG2-CB 3.49Å; I338-D342 VanDerWaalsContact CG2-CB 3.49Å; I338-I343 HydrophobicContact CB-CG1 3.96Å; I338-I343 HydrophobicContact CG2-CG1 3.75Å; I338-I346 HydrophobicContact CD1-CD1 3.7Å; I338-I346 HydrophobicContact CG2-CD1 4.09Å; I338-P365 HydrophobicContact CD1-CB 4.15Å; I338-L369 HydrophobicContact CD1-CD1 3.94Å; I338-L369 HydrophobicContact CD1-CD2 3.98Å; I338-L369 HydrophobicContact CD1-CG 3.8Å; I338-L369 HydrophobicContact CG1-CD1 4.06Å; I338-L369 HydrophobicContact CG1-CD2 3.87Å; I338-L369 HydrophobicContact CG1-CG 4.13Å
339S91.3Very high86.2Confident32 Ų3252.7 Ų52.722%0.22432%0.315CS..  trans-66.8157.6174.973.20000111.6D341 D342 I343S339-D341 VanDerWaalsContact C-N 3.27Å; S339-D341 PolarHBondContact O-N 2.96Å; S339-D342 PolarHBondContact O-N 3.16Å; S339-D342 VanDerWaalsContact OG-CB 3.3Å; S339-D342 WeakPolarHBondContact OG-CB 3.19Å; S339-D342 PolarHBondContact OG-N 2.87Å; S339-D342 VanDerWaalsContact OG-N 3.11Å; S339-D342 PolarHBondContact OG-OD2 3.23Å; S339-I343 WeakPolarHBondContact O-CG1 3.45Å; S339-I343 PolarHBondContact O-N 3.28Å
340C88.9Confident88.4Confident97 Ų9748 Ų4866%0.65528%0.283SS*.Hα-helixtrans-57.2-41.5176.1-64.70000112.3I343 Q344C340-I343 WeakPolarHBondContact O-CB 3.26Å; C340-I343 PolarHBondContact O-N 3.07Å; C340-Q344 PolarHBondContact O-N 2.98Å
341D88.5Confident90.1Very high109 Ų10951.4 Ų51.458%0.58329%0.289SS*.Hα-helixtrans-65-41.1179.1-60.4-10.3000111.2S339 Q344 K345S339-D341 VanDerWaalsContact C-N 3.27Å; S339-D341 PolarHBondContact O-N 2.96Å; D341-Q344 WeakPolarHBondContact O-CB 3.25Å; D341-Q344 PolarHBondContact O-N 3.31Å; D341-K345 WeakPolarHBondContact O-CG 3.41Å; D341-K345 PolarHBondContact O-N 2.92Å
342D92.2Very high91Very high9 Ų948.1 Ų48.15%0.04827%0.272CS..Hα-helixtrans-72.7-30.9177.8-68.7-43.8000112.5V281 H282 I338 S339 Q344 K345 I346V281-D342 HydrophobicContact CG1-CB 4.26Å; H282-D342 PolarHBondContact N-OD2 2.95Å; I338-D342 HydrophobicContact CG2-CB 3.49Å; I338-D342 VanDerWaalsContact CG2-CB 3.49Å; S339-D342 PolarHBondContact O-N 3.16Å; S339-D342 VanDerWaalsContact OG-CB 3.3Å; S339-D342 WeakPolarHBondContact OG-CB 3.19Å; S339-D342 PolarHBondContact OG-N 2.87Å; S339-D342 VanDerWaalsContact OG-N 3.11Å; S339-D342 PolarHBondContact OG-OD2 3.23Å; D342-Q344 VanDerWaalsContact C-N 3.28Å; D342-Q344 PolarHBondContact O-N 3.29Å; D342-K345 PolarHBondContact O-N 3.37Å; D342-K345 IonicContact OD1-NZ 2.77Å; D342-K345 PolarHBondContact OD1-NZ 3.13Å; D342-I346 WeakPolarHBondContact O-CG1 3.47Å; D342-I346 PolarHBondContact O-N 2.8Å
343I93.4Very high91.8Very high67 Ų6744.6 Ų44.634%0.34425%0.249SC..Hα-helixtrans-58.9-42.7170.7-73.9168.7000110.2I338 S339 C340 K345 I346 T347 P365I338-I343 HydrophobicContact CB-CG1 3.96Å; I338-I343 HydrophobicContact CG2-CG1 3.75Å; S339-I343 WeakPolarHBondContact O-CG1 3.45Å; S339-I343 PolarHBondContact O-N 3.28Å; C340-I343 WeakPolarHBondContact O-CB 3.26Å; C340-I343 PolarHBondContact O-N 3.07Å; I343-K345 PolarHBondContact O-N 2.83Å; I343-I346 PolarHBondContact O-N 3.44Å; I343-T347 VanDerWaalsContact O-CB 3.32Å; I343-T347 WeakPolarHBondContact O-CB 3.13Å; I343-T347 PolarHBondContact O-N 3.49Å; I343-T347 PolarHBondContact O-OG1 3.5Å; I343-P365 HydrophobicContact CG1-CB 4.47Å; I343-P365 HydrophobicContact CG2-CG 4.16Å
344Q92.4Very high92.3Very high135 Ų13543.3 Ų43.363%0.63124%0.242SC*.Hα-helixtrans-62.8-41.8177.6-67.9177.5-0.200111.6C340 D341 D342 T347 M348C340-Q344 PolarHBondContact O-N 2.98Å; D341-Q344 WeakPolarHBondContact O-CB 3.25Å; D341-Q344 PolarHBondContact O-N 3.31Å; D342-Q344 VanDerWaalsContact C-N 3.28Å; D342-Q344 PolarHBondContact O-N 3.29Å; Q344-T347 PolarHBondContact O-N 3.27Å; Q344-M348 WeakPolarHBondContact O-CB 3.16Å; Q344-M348 PolarHBondContact O-N 3.01Å
345K93.6Very high92.6Very high61 Ų6142.8 Ų42.827%0.26524%0.238SC..Hα-helixtrans-61.9-45176.5-62.2171.1-167.6165.60112.5L277 S280 V281 D341 D342 I343 M348 A349L277-K345 HydrophobicContact CD2-CB 4.27Å; L277-K345 HydrophobicContact CD2-CG 4.44Å; S280-K345 PolarHBondContact O-NZ 3.34Å; S280-K345 WeakPolarHBondContact OG-CD 3.2Å; V281-K345 HydrophobicContact CG2-CB 4.19Å; D341-K345 WeakPolarHBondContact O-CG 3.41Å; D341-K345 PolarHBondContact O-N 2.92Å; D342-K345 PolarHBondContact O-N 3.37Å; D342-K345 IonicContact OD1-NZ 2.77Å; D342-K345 PolarHBondContact OD1-NZ 3.13Å; I343-K345 PolarHBondContact O-N 2.83Å; K345-M348 PolarHBondContact O-N 2.69Å; K345-A349 WeakPolarHBondContact O-CB 3.21Å; K345-A349 PolarHBondContact O-N 3.03Å
346I95Very high92.6Very high1 Ų140.4 Ų40.41%0.00523%0.228CC..Hα-helixtrans-66.2-42.5177.7-61.5166.3000110.6L278 V281 I338 D342 I343 M348 A349 G350 F364 P365 F368L278-I346 HydrophobicContact CD2-CG1 4.39Å; V281-I346 HydrophobicContact CB-CG1 4.48Å; V281-I346 HydrophobicContact CG1-CD1 3.82Å; V281-I346 HydrophobicContact CG1-CG1 4.12Å; V281-I346 HydrophobicContact CG2-CD1 4.19Å; V281-I346 HydrophobicContact CG2-CG1 3.55Å; I338-I346 HydrophobicContact CD1-CD1 3.7Å; I338-I346 HydrophobicContact CG2-CD1 4.09Å; D342-I346 WeakPolarHBondContact O-CG1 3.47Å; D342-I346 PolarHBondContact O-N 2.8Å; I343-I346 PolarHBondContact O-N 3.44Å; I346-M348 VanDerWaalsContact C-N 3.31Å; I346-M348 PolarHBondContact O-N 3.45Å; I346-A349 WeakPolarHBondContact O-CB 3.28Å; I346-A349 PolarHBondContact O-N 3.43Å; I346-G350 PolarHBondContact O-N 2.8Å; I346-F364 HydrophobicContact CG2-CD1 3.53Å; I346-F364 HydrophobicContact CG2-CE1 3.79Å; I346-F364 HydrophobicContact CG2-CG 4.22Å; I346-F364 VanDerWaalsContact O-CD1 3.32Å; I346-F364 WeakPolarHBondContact O-CD1 3.47Å; I346-P365 HydrophobicContact CB-CB 4.48Å; I346-P365 HydrophobicContact CB-CG 4.13Å; I346-P365 HydrophobicContact CD1-CB 4.24Å; I346-P365 HydrophobicContact CG2-CB 4.22Å; I346-P365 HydrophobicContact CG2-CG 3.92Å; I346-F368 HydrophobicContact CG2-CD2 4.02Å; I346-F368 HydrophobicContact CG2-CE2 3.79Å
347T95Very high92.6Very high23 Ų2345.1 Ų45.114%0.14125%0.252CS..Hα-helixtrans-59.7-44.5176.6-55.80000110.3I343 Q344 A349 G350 K351 L361I343-T347 VanDerWaalsContact O-CB 3.32Å; I343-T347 WeakPolarHBondContact O-CB 3.13Å; I343-T347 PolarHBondContact O-N 3.49Å; I343-T347 PolarHBondContact O-OG1 3.5Å; Q344-T347 PolarHBondContact O-N 3.27Å; T347-A349 PolarHBondContact O-N 2.81Å; T347-G350 PolarHBondContact O-N 3.47Å; T347-K351 PolarHBondContact O-N 3.22Å; T347-L361 HydrophobicContact CG2-CD1 4.41Å; T347-L361 HydrophobicContact CG2-CD2 3.99Å; T347-L361 HydrophobicContact CG2-CG 3.82Å; T347-L361 WeakPolarHBondContact O-CD1 3.43Å
348M94.4Very high92.5Very high48 Ų4845.3 Ų45.324%0.23626%0.258CS..Hα-helixtrans-62.7-42.9175-173.957.717900112.2Q221 L277 Q344 K345 I346 G350 K351 L352Q221-M348 WeakPolarHBondContact O-CE 3.41Å; L277-M348 HydrophobicContact CD1-CB 4.11Å; L277-M348 HydrophobicContact CD1-CG 3.85Å; Q344-M348 WeakPolarHBondContact O-CB 3.16Å; Q344-M348 PolarHBondContact O-N 3.01Å; K345-M348 PolarHBondContact O-N 2.69Å; I346-M348 VanDerWaalsContact C-N 3.31Å; I346-M348 PolarHBondContact O-N 3.45Å; M348-G350 VanDerWaalsContact C-N 3.3Å; M348-G350 PolarHBondContact O-N 3.48Å; M348-K351 WeakPolarHBondContact O-CB 3.3Å; M348-K351 PolarHBondContact O-N 2.93Å; M348-K351 HydrophobicContact SD-CD 4.45Å; M348-L352 HydrophobicContact CE-CD1 4.42Å; M348-L352 HydrophobicContact CE-CD2 4.13Å; M348-L352 HydrophobicContact CE-CG 4.24Å; M348-L352 WeakPolarHBondContact O-CG 3.44Å; M348-L352 PolarHBondContact O-N 3.48Å
349A95.4Very high92.2Very high0 Ų052.1 Ų52.10%029%0.29CS..Hα-helixtrans-59.3-41.3173.800000111.9V274 L277 L278 K345 I346 T347 K351 L352 L353V274-A349 HydrophobicContact CG1-CB 4.28Å; V274-A349 HydrophobicContact CG2-CB 4.43Å; V274-A349 WeakPolarHBondContact CG2-O 3.33Å; L277-A349 HydrophobicContact CB-CB 4.19Å; L277-A349 HydrophobicContact CD1-CB 4.2Å; L278-A349 HydrophobicContact CD2-CB 4.14Å; L278-A349 HydrophobicContact CG-CB 4.17Å; K345-A349 WeakPolarHBondContact O-CB 3.21Å; K345-A349 PolarHBondContact O-N 3.03Å; I346-A349 WeakPolarHBondContact O-CB 3.28Å; I346-A349 PolarHBondContact O-N 3.43Å; T347-A349 PolarHBondContact O-N 2.81Å; A349-K351 PolarHBondContact O-N 3.4Å; A349-L352 PolarHBondContact O-N 3.15Å; A349-L353 WeakPolarHBondContact O-CG 3.36Å; A349-L353 PolarHBondContact O-N 3.31Å
350G95.3Very high92.2Very high0 Ų053.9 Ų53.90%030%0.296CS..Hα-helixtrans-60.7-43.1174.500000112.9I346 T347 M348 L352 L353 G354 I355I346-G350 PolarHBondContact O-N 2.8Å; T347-G350 PolarHBondContact O-N 3.47Å; M348-G350 VanDerWaalsContact C-N 3.3Å; M348-G350 PolarHBondContact O-N 3.48Å; G350-L352 PolarHBondContact O-N 3.47Å; G350-L353 WeakPolarHBondContact O-CB 3.44Å; G350-L353 PolarHBondContact O-N 2.88Å; G350-G354 PolarHBondContact O-N 3.38Å; G350-I355 WeakPolarHBondContact O-CB 3.5Å; G350-I355 WeakPolarHBondContact O-CG1 3.48Å; G350-I355 PolarHBondContact O-N 2.93Å
351K94.2Very high92.3Very high99 Ų9949.6 Ų49.643%0.4327%0.267SS..Hα-helixtrans-62.7-43.2177.1-176.1175-173.6115.10111.6T347 M348 A349 L353 G354 D357 L361T347-K351 PolarHBondContact O-N 3.22Å; M348-K351 WeakPolarHBondContact O-CB 3.3Å; M348-K351 PolarHBondContact O-N 2.93Å; M348-K351 HydrophobicContact SD-CD 4.45Å; A349-K351 PolarHBondContact O-N 3.4Å; K351-L353 VanDerWaalsContact C-N 3.32Å; K351-L353 PolarHBondContact O-N 3.36Å; K351-G354 PolarHBondContact O-N 3.32Å; K351-D357 VanDerWaalsContact NZ-CG 3.29Å; K351-D357 IonicContact NZ-OD1 2.85Å; K351-D357 PolarHBondContact NZ-OD1 3.1Å; K351-D357 IonicContact NZ-OD2 2.88Å; K351-D357 PolarHBondContact NZ-OD2 2.92Å; K351-L361 HydrophobicContact CB-CD1 4.25Å; K351-L361 HydrophobicContact CB-CD2 4.26Å
352L94.4Very high92.4Very high14 Ų1450.8 Ų50.87%0.07327%0.269CS..Hα-helixtrans-66.6-32.3177.1-67.6176.7000113F222 K270 V274 L277 M348 A349 G350 G354 I701F222-L352 HydrophobicContact CD1-CD2 4.18Å; K270-L352 HydrophobicContact CB-CB 4.4Å; K270-L352 HydrophobicContact CD-CD2 4.37Å; K270-L352 HydrophobicContact CG-CD2 4.13Å; V274-L352 HydrophobicContact CG2-CB 3.6Å; V274-L352 HydrophobicContact CG2-CD1 4.32Å; L277-L352 HydrophobicContact CD1-CD1 3.91Å; M348-L352 HydrophobicContact CE-CD1 4.42Å; M348-L352 HydrophobicContact CE-CD2 4.13Å; M348-L352 HydrophobicContact CE-CG 4.24Å; M348-L352 WeakPolarHBondContact O-CG 3.44Å; M348-L352 PolarHBondContact O-N 3.48Å; A349-L352 PolarHBondContact O-N 3.15Å; G350-L352 PolarHBondContact O-N 3.47Å; L352-G354 PolarHBondContact O-N 2.92Å; L352-I701 WeakPolarHBondContact O-CD1 3.37Å
353L94.1Very high92.4Very high5 Ų552 Ų523%0.02628%0.278CS..THydrogen-bonded Turntrans-68.4-10.7171.2-74.7170.3000113.4L271 V274 A349 G350 K351 F364 F404 V674 C678 I701L271-L353 HydrophobicContact CD1-CD2 4.33Å; V274-L353 HydrophobicContact CG1-CD1 4.04Å; V274-L353 HydrophobicContact CG1-CD2 4.07Å; V274-L353 HydrophobicContact CG1-CG 3.97Å; V274-L353 HydrophobicContact CG2-CD2 4.18Å; V274-L353 HydrophobicContact CG2-CG 3.85Å; A349-L353 WeakPolarHBondContact O-CG 3.36Å; A349-L353 PolarHBondContact O-N 3.31Å; G350-L353 WeakPolarHBondContact O-CB 3.44Å; G350-L353 PolarHBondContact O-N 2.88Å; K351-L353 VanDerWaalsContact C-N 3.32Å; K351-L353 PolarHBondContact O-N 3.36Å; L353-F364 HydrophobicContact CD1-CE1 4.38Å; L353-F364 HydrophobicContact CD1-CZ 4.03Å; L353-F404 HydrophobicContact CD1-CE1 4.25Å; L353-F404 HydrophobicContact CD1-CZ 4.16Å; L353-V674 HydrophobicContact CB-CG1 4.49Å; L353-V674 HydrophobicContact CD1-CG1 4.23Å; L353-C678 PolarHBondContact O-SG 3.15Å; L353-I701 HydrophobicContact CD2-CG2 3.96Å
354G91.3Very high92.4Very high41 Ų4148.9 Ų48.942%0.42326%0.262SS..THydrogen-bonded Turntrans91.316.9179.700000114.3G350 K351 L352G350-G354 PolarHBondContact O-N 3.38Å; K351-G354 PolarHBondContact O-N 3.32Å; L352-G354 PolarHBondContact O-N 2.92Å
355I92.1Very high92.5Very high4 Ų442.9 Ų42.92%0.02124%0.235CC..PPolyproline II helixtrans-68.1127.3171.2-58.2174.4000108G350 L360 L361 F364 W673 V674G350-I355 WeakPolarHBondContact O-CB 3.5Å; G350-I355 WeakPolarHBondContact O-CG1 3.48Å; G350-I355 PolarHBondContact O-N 2.93Å; I355-L360 HydrophobicContact CG2-CB 4.33Å; I355-L361 HydrophobicContact CB-CD1 3.98Å; I355-L361 HydrophobicContact CG2-CB 4.14Å; I355-L361 HydrophobicContact CG2-CD1 4.03Å; I355-F364 HydrophobicContact CD1-CB 4.27Å; I355-F364 HydrophobicContact CD1-CD1 4.19Å; I355-F364 HydrophobicContact CD1-CD2 4.06Å; I355-F364 HydrophobicContact CD1-CE2 4.42Å; I355-F364 HydrophobicContact CD1-CG 3.93Å; I355-W673 HydrophobicContact CD1-CH2 4.46Å; I355-W673 HydrophobicContact CD1-CZ3 3.85Å; I355-V674 HydrophobicContact CD1-CG2 4.49Å
356P90.1Very high92.4Very high37 Ų3744.1 Ų44.124%0.2424%0.241CC..PPolyproline II helixtrans-63.7141.4-177.725.7-34.4000111.6L360 L361 S677 T681P356-L360 HydrophobicContact CG-CD1 4.18Å; P356-L361 WeakPolarHBondContact O-CB 3.43Å; P356-S677 WeakPolarHBondContact CD-O 3.39Å; P356-T681 HydrophobicContact CB-CG2 4.05Å; P356-T681 HydrophobicContact CG-CG2 4.11Å
357D88.6Confident92.3Very high110 Ų11044.7 Ų44.759%0.58824%0.244SC*.THydrogen-bonded Turntrans-55.9139.5173.9-69-33.3000109.8K351 L361K351-D357 VanDerWaalsContact NZ-CG 3.29Å; K351-D357 IonicContact NZ-OD1 2.85Å; K351-D357 PolarHBondContact NZ-OD1 3.1Å; K351-D357 IonicContact NZ-OD2 2.88Å; K351-D357 PolarHBondContact NZ-OD2 2.92Å; D357-L361 WeakPolarHBondContact OD1-CD2 3.32Å
358G89.2Confident92.2Very high37 Ų3743.7 Ų43.738%0.38124%0.238SC..THydrogen-bonded Turntrans133.1-160.6-177.700000113.3L360 L361 H362G358-L360 VanDerWaalsContact C-N 3.26Å; G358-L360 PolarHBondContact O-N 3.35Å; G358-L361 PolarHBondContact O-N 3.18Å; G358-H362 PolarHBondContact O-CD2 2.85Å; G358-H362 PolarHBondContact O-N 2.98Å
359E87.5Confident92.1Very high165 Ų16542.4 Ų42.477%0.77123%0.232SC*.Hα-helixtrans-59.1-35.7-177.7-65.6-174.6174.100112.9H362 S363E359-H362 PolarHBondContact O-N 2.9Å; E359-S363 WeakPolarHBondContact O-CB 2.96Å; E359-S363 PolarHBondContact O-N 3.44Å
360L89.5Confident91.7Very high69 Ų6943.2 Ų43.236%0.36124%0.237SC..Hα-helixtrans-59.7-50.8177.2-73.2174.4000111.2I355 P356 G358 H362 S363 F364 W673I355-L360 HydrophobicContact CG2-CB 4.33Å; P356-L360 HydrophobicContact CG-CD1 4.18Å; G358-L360 VanDerWaalsContact C-N 3.26Å; G358-L360 PolarHBondContact O-N 3.35Å; L360-H362 VanDerWaalsContact C-N 3.33Å; L360-H362 PolarHBondContact O-N 3.44Å; L360-S363 PolarHBondContact O-N 2.74Å; L360-S363 PolarHBondContact O-OG 2.81Å; L360-F364 PolarHBondContact O-N 2.85Å; L360-W673 HydrophobicContact CD2-CZ2 4.38Å; L360-W673 WeakPolarHBondContact O-CH2 3.38Å
361L92.2Very high91.1Very high7 Ų747.9 Ų47.94%0.03725%0.254CS..Hα-helixtrans-59.3-43.9178.5-175.464.2000112T347 K351 I355 P356 D357 G358 S363 F364T347-L361 HydrophobicContact CG2-CD1 4.41Å; T347-L361 HydrophobicContact CG2-CD2 3.99Å; T347-L361 HydrophobicContact CG2-CG 3.82Å; T347-L361 WeakPolarHBondContact O-CD1 3.43Å; K351-L361 HydrophobicContact CB-CD1 4.25Å; K351-L361 HydrophobicContact CB-CD2 4.26Å; I355-L361 HydrophobicContact CB-CD1 3.98Å; I355-L361 HydrophobicContact CG2-CB 4.14Å; I355-L361 HydrophobicContact CG2-CD1 4.03Å; P356-L361 WeakPolarHBondContact O-CB 3.43Å; D357-L361 WeakPolarHBondContact OD1-CD2 3.32Å; G358-L361 PolarHBondContact O-N 3.18Å; L361-S363 PolarHBondContact O-N 3.46Å; L361-F364 WeakPolarHBondContact O-CB 3.3Å; L361-F364 PolarHBondContact O-N 3.35Å
362H90.8Very high90.4Very high135 Ų13546.4 Ų46.463%0.62525%0.251SS*.Hα-helixtrans-67.4-21.1177.4-72-62.4000113.7G358 E359 L360 P365G358-H362 PolarHBondContact O-CD2 2.85Å; G358-H362 PolarHBondContact O-N 2.98Å; E359-H362 PolarHBondContact O-N 2.9Å; L360-H362 VanDerWaalsContact C-N 3.33Å; L360-H362 PolarHBondContact O-N 3.44Å; H362-P365 WeakPolarHBondContact O-CD 3.5Å
363S91.9Very high89.4Confident35 Ų3547.4 Ų47.425%0.24526%0.258CS..Hα-helixtrans-84.5-9.7175.579.10000114.1E359 L360 L361 Q366 Q367 W673E359-S363 WeakPolarHBondContact O-CB 2.96Å; E359-S363 PolarHBondContact O-N 3.44Å; L360-S363 PolarHBondContact O-N 2.74Å; L360-S363 PolarHBondContact O-OG 2.81Å; L361-S363 PolarHBondContact O-N 3.46Å; S363-Q366 WeakPolarHBondContact O-CB 3.37Å; S363-Q366 PolarHBondContact O-N 2.84Å; S363-Q367 WeakPolarHBondContact O-CG 3.29Å; S363-Q367 PolarHBondContact O-N 3.39Å; S363-Q367 PolarHBondContact O-NE2 2.87Å; S363-Q367 VanDerWaalsContact O-NE2 3.16Å; S363-W673 WeakPolarHBondContact OG-CZ2 3.44Å
364F94.4Very high88.2Confident0 Ų053.2 Ų53.20%029%0.285CS..Hα-helixtrans-61.6-43.8-178.7-177.3-134.7000113.7I346 L353 I355 L360 L361 Q366 Q367 F368 F404 L670 W673 V674I346-F364 HydrophobicContact CG2-CD1 3.53Å; I346-F364 HydrophobicContact CG2-CE1 3.79Å; I346-F364 HydrophobicContact CG2-CG 4.22Å; I346-F364 VanDerWaalsContact O-CD1 3.32Å; I346-F364 WeakPolarHBondContact O-CD1 3.47Å; L353-F364 HydrophobicContact CD1-CE1 4.38Å; L353-F364 HydrophobicContact CD1-CZ 4.03Å; I355-F364 HydrophobicContact CD1-CB 4.27Å; I355-F364 HydrophobicContact CD1-CD1 4.19Å; I355-F364 HydrophobicContact CD1-CD2 4.06Å; I355-F364 HydrophobicContact CD1-CE2 4.42Å; I355-F364 HydrophobicContact CD1-CG 3.93Å; L360-F364 PolarHBondContact O-N 2.85Å; L361-F364 WeakPolarHBondContact O-CB 3.3Å; L361-F364 PolarHBondContact O-N 3.35Å; F364-Q366 VanDerWaalsContact C-N 3.26Å; F364-Q366 PolarHBondContact O-N 2.69Å; F364-Q367 WeakPolarHBondContact O-CB 3.36Å; F364-Q367 PolarHBondContact O-N 2.67Å; F364-F368 HydrophobicContact CD1-CE2 4.47Å; F364-F368 HydrophobicContact CD2-CE2 4.19Å; F364-F368 AromaticContact CE1-CE2 3.97Å; F364-F368 HydrophobicContact CE1-CE2 3.97Å; F364-F368 AromaticContact CE2-CE2 3.67Å; F364-F368 HydrophobicContact CE2-CE2 3.67Å; F364-F368 HydrophobicContact CE2-CZ 4.15Å; F364-F368 AromaticContact CZ-CE2 3.55Å; F364-F368 HydrophobicContact CZ-CE2 3.55Å; F364-F368 AromaticContact CZ-CZ 3.86Å; F364-F368 HydrophobicContact CZ-CZ 3.86Å; F364-F404 HydrophobicContact CZ-CE1 4.27Å; F364-F404 HydrophobicContact CZ-CZ 4.48Å; F364-L670 HydrophobicContact CD2-CD1 4.43Å; F364-L670 HydrophobicContact CE2-CD1 3.93Å; F364-W673 HydrophobicContact CB-CH2 4.13Å; F364-W673 HydrophobicContact CB-CZ3 4.06Å; F364-W673 HydrophobicContact CD2-CE3 4.16Å; F364-W673 HydrophobicContact CD2-CH2 4.44Å; F364-W673 AromaticContact CD2-CZ3 3.57Å; F364-W673 HydrophobicContact CD2-CZ3 3.57Å; F364-W673 HydrophobicContact CE2-CZ3 4.43Å; F364-W673 HydrophobicContact CG-CZ3 4.19Å; F364-V674 HydrophobicContact CD2-CG2 4.28Å; F364-V674 HydrophobicContact CE2-CG2 3.59Å; F364-V674 HydrophobicContact CZ-CG2 4.26Å
365P94.5Very high87Confident9 Ų953.2 Ų53.26%0.05828%0.28CS..Hα-helixtrans-54.4-40.1172-24.933.6000113.4I338 I343 I346 H362 Q367 F368I338-P365 HydrophobicContact CD1-CB 4.15Å; I343-P365 HydrophobicContact CG1-CB 4.47Å; I343-P365 HydrophobicContact CG2-CG 4.16Å; I346-P365 HydrophobicContact CB-CB 4.48Å; I346-P365 HydrophobicContact CB-CG 4.13Å; I346-P365 HydrophobicContact CD1-CB 4.24Å; I346-P365 HydrophobicContact CG2-CB 4.22Å; I346-P365 HydrophobicContact CG2-CG 3.92Å; H362-P365 WeakPolarHBondContact O-CD 3.5Å; P365-Q367 PolarHBondContact O-N 3.25Å; P365-F368 PolarHBondContact O-N 3.19Å; P365-F368 VanDerWaalsContact O-N 3.11Å
366Q91.4Very high85.5Confident87 Ų8754.7 Ų54.741%0.40730%0.297SS..Hα-helixtrans-64.5-24.7178.5-170.761.123.300112.5S363 F364 F368 L369 T370S363-Q366 WeakPolarHBondContact O-CB 3.37Å; S363-Q366 PolarHBondContact O-N 2.84Å; F364-Q366 VanDerWaalsContact C-N 3.26Å; F364-Q366 PolarHBondContact O-N 2.69Å; Q366-F368 VanDerWaalsContact C-N 3.26Å; Q366-F368 PolarHBondContact O-N 3Å; Q366-L369 PolarHBondContact O-N 3.05Å; Q366-L369 VanDerWaalsContact O-N 3.16Å; Q366-T370 HydrophobicContact CG-CG2 4.28Å; Q366-T370 WeakPolarHBondContact O-CG2 3.47Å; Q366-T370 PolarHBondContact O-N 3.01Å; Q366-T370 PolarHBondContact O-OG1 2.95Å
367Q91.9Very high83.8Confident14 Ų1456.6 Ų56.67%0.06531%0.311CS..Hα-helixtrans-68.8-24.5176.7-52.2-49.2-47.200112.6S363 F364 P365 T370 Q400 H669 L670 W673S363-Q367 WeakPolarHBondContact O-CG 3.29Å; S363-Q367 PolarHBondContact O-N 3.39Å; S363-Q367 PolarHBondContact O-NE2 2.87Å; S363-Q367 VanDerWaalsContact O-NE2 3.16Å; F364-Q367 WeakPolarHBondContact O-CB 3.36Å; F364-Q367 PolarHBondContact O-N 2.67Å; P365-Q367 PolarHBondContact O-N 3.25Å; Q367-T370 VanDerWaalsContact O-O 3.1Å; Q367-Q400 PolarHBondContact O-NE2 2.83Å; Q367-H669 PolarHBondContact OE1-CE1 2.69Å; Q367-H669 VanDerWaalsContact OE1-CE1 3.22Å; Q367-L670 HydrophobicContact CB-CD1 3.44Å; Q367-L670 VanDerWaalsContact CB-CD1 3.44Å; Q367-L670 HydrophobicContact CG-CD1 4.41Å; Q367-W673 HydrophobicContact CG-CD2 3.75Å; Q367-W673 HydrophobicContact CG-CE3 3.83Å; Q367-W673 HydrophobicContact CG-CG 4.32Å; Q367-W673 HydrophobicContact CG-CH2 4.24Å; Q367-W673 HydrophobicContact CG-CZ2 4.16Å; Q367-W673 HydrophobicContact CG-CZ3 4.07Å
368F92.7Very high82.1Confident1 Ų154.5 Ų54.50%0.00430%0.3CS..Hα-helixtrans-80-20.4172.6-69.4-86000113L278 F283 I346 F364 P365 Q366 R401 F404 L670L278-F368 HydrophobicContact CD1-CZ 4.44Å; L278-F368 HydrophobicContact CD2-CE2 4.26Å; L278-F368 HydrophobicContact CD2-CZ 3.85Å; F283-F368 HydrophobicContact CE1-CB 4.08Å; F283-F368 HydrophobicContact CZ-CB 4.1Å; I346-F368 HydrophobicContact CG2-CD2 4.02Å; I346-F368 HydrophobicContact CG2-CE2 3.79Å; F364-F368 HydrophobicContact CD1-CE2 4.47Å; F364-F368 HydrophobicContact CD2-CE2 4.19Å; F364-F368 AromaticContact CE1-CE2 3.97Å; F364-F368 HydrophobicContact CE1-CE2 3.97Å; F364-F368 AromaticContact CE2-CE2 3.67Å; F364-F368 HydrophobicContact CE2-CE2 3.67Å; F364-F368 HydrophobicContact CE2-CZ 4.15Å; F364-F368 AromaticContact CZ-CE2 3.55Å; F364-F368 HydrophobicContact CZ-CE2 3.55Å; F364-F368 AromaticContact CZ-CZ 3.86Å; F364-F368 HydrophobicContact CZ-CZ 3.86Å; P365-F368 PolarHBondContact O-N 3.19Å; P365-F368 VanDerWaalsContact O-N 3.11Å; Q366-F368 VanDerWaalsContact C-N 3.26Å; Q366-F368 PolarHBondContact O-N 3Å; F368-R401 HydrophobicContact CD1-CB 4.05Å; F368-R401 HydrophobicContact CE1-CB 4.19Å; F368-R401 HydrophobicContact CE1-CG 4.5Å; F368-F404 HydrophobicContact CE1-CB 4.36Å; F368-F404 HydrophobicContact CE1-CD1 4.16Å; F368-F404 HydrophobicContact CE1-CG 4.44Å; F368-F404 AromaticContact CZ-CD1 3.97Å; F368-F404 HydrophobicContact CZ-CD1 3.97Å; F368-F404 HydrophobicContact CZ-CE1 4.28Å; F368-L670 HydrophobicContact CD1-CD2 3.93Å; F368-L670 HydrophobicContact CE1-CD2 3.45Å; F368-L670 VanDerWaalsContact CE1-CD2 3.45Å; F368-L670 HydrophobicContact CE2-CD2 4.45Å; F368-L670 HydrophobicContact CZ-CD2 3.76Å
369L92.2Very high80.4Confident22 Ų2255.4 Ų55.412%0.11530%0.3CS..SBendtrans-91.4-2.8176.6-60.5-177.7000113.1F283 A336 I338 Q366 A391 C392 A397F283-L369 HydrophobicContact CD1-CD2 4.11Å; F283-L369 HydrophobicContact CE1-CD2 4.27Å; A336-L369 HydrophobicContact CB-CD2 3.63Å; I338-L369 HydrophobicContact CD1-CD1 3.94Å; I338-L369 HydrophobicContact CD1-CD2 3.98Å; I338-L369 HydrophobicContact CD1-CG 3.8Å; I338-L369 HydrophobicContact CG1-CD1 4.06Å; I338-L369 HydrophobicContact CG1-CD2 3.87Å; I338-L369 HydrophobicContact CG1-CG 4.13Å; Q366-L369 PolarHBondContact O-N 3.05Å; Q366-L369 VanDerWaalsContact O-N 3.16Å; L369-A391 CarbonylContact O-C 3.59Å; L369-A391 WeakPolarHBondContact O-CA 3.32Å; L369-C392 PolarHBondContact O-N 3.42Å; L369-A397 HydrophobicContact CD2-CB 4.38Å
370T87.4Confident78.8Confident17 Ų1753 Ų5310%0.10429%0.289CS..EExtended strand (participates in β ladder)trans-125.3134.9-177.355.60000111.6Q366 Q367 C390 Q400Q366-T370 HydrophobicContact CG-CG2 4.28Å; Q366-T370 WeakPolarHBondContact O-CG2 3.47Å; Q366-T370 PolarHBondContact O-N 3.01Å; Q366-T370 PolarHBondContact O-OG1 2.95Å; Q367-T370 VanDerWaalsContact O-O 3.1Å; T370-C390 WeakPolarHBondContact CA-O 3.37Å; T370-Q400 PolarHBondContact O-NE2 3.33Å; T370-Q400 PolarHBondContact O-OE1 2.86Å
371R82.8Confident77.1Confident97 Ų9758.7 Ų58.737%0.36631%0.314SS..EExtended strand (participates in β ladder)trans-117.4140.9172.663.2-179.5-173165.41.7110.3V373 C390 Q396R371-V373 HydrophobicContact CG-CG2 4.06Å; R371-C390 HydrophobicContact CG-CB 3.83Å; R371-C390 PolarHBondContact N-O 2.93Å; R371-C390 PolarHBondContact O-N 3.03Å; R371-Q396 VanDerWaalsContact NH1-NE2 3.15Å
372L79.5Confident75.1Confident69 Ų6961.4 Ų61.436%0.36133%0.333SS..EExtended strand (participates in β ladder)trans-86.9119.5167.1-67.7-170.2000109.4T387 K389 H669L372-T387 HydrophobicContact CB-CG2 4Å; L372-T387 HydrophobicContact CD1-CG2 4.08Å; L372-T387 HydrophobicContact CD2-CG2 4.14Å; L372-T387 HydrophobicContact CG-CG2 4.32Å; L372-K389 HydrophobicContact CD2-CB 4.43Å; L372-K389 HydrophobicContact CD2-CD 4.37Å; L372-K389 HydrophobicContact CD2-CG 3.38Å; L372-H669 HydrophobicContact CB-CB 4.44Å; L372-H669 HydrophobicContact CD1-CB 3.91Å; L372-H669 WeakPolarHBondContact CD1-CD2 3.37Å; L372-H669 HydrophobicContact CG-CB 4.04Å; L372-H669 VanDerWaalsContact CG-CD2 3.5Å; L372-H669 WeakPolarHBondContact CG-CD2 3.5Å
373V73.6Confident73.4Confident35 Ų3564.1 Ų64.121%0.21234%0.343CS..EExtended strand (participates in β ladder)trans-105.9126.4173.2-173.50000108.1R371 T387 Y388 C390R371-V373 HydrophobicContact CG-CG2 4.06Å; V373-T387 WeakPolarHBondContact O-CA 3.46Å; V373-Y388 HydrophobicContact CB-CD1 4.35Å; V373-Y388 HydrophobicContact CB-CE1 3.76Å; V373-Y388 HydrophobicContact CB-CE2 4.03Å; V373-Y388 HydrophobicContact CG1-CE1 3.79Å; V373-Y388 HydrophobicContact CG1-CE2 4.46Å; V373-Y388 VanDerWaalsContact CG1-OH 3.29Å; V373-Y388 WeakPolarHBondContact CG1-OH 3.45Å; V373-Y388 PolarHBondContact N-O 3.21Å; V373-Y388 VanDerWaalsContact O-CD1 3.23Å; V373-Y388 WeakPolarHBondContact O-CD1 3.46Å; V373-Y388 WeakPolarHBondContact O-CE1 3.2Å; V373-Y388 PolarHBondContact O-N 3.22Å; V373-C390 HydrophobicContact CG2-CB 4.38Å
374Q69.2Low71.7Confident127 Ų12772.2 Ų72.259%0.59337%0.368SS*.EExtended strand (participates in β ladder)trans-93.2117.7171.3-66.8-177.1-14.200108.2T387Q374-T387 HydrophobicContact CG-CG2 4.34Å
375A64.8Low70.3Confident40 Ų4076.9 Ų76.933%0.33139%0.391SS..EExtended strand (participates in β ladder)trans-118.6134.1170.100000109.4T386 Y388A375-T386 PolarHBondContact N-O 2.84Å; A375-T386 PolarHBondContact O-N 2.78Å; A375-T386 VanDerWaalsContact O-O 3.1Å; A375-T386 PolarHBondContact O-OG1 3.47Å; A375-T386 VanDerWaalsContact O-OG1 3.14Å; A375-Y388 HydrophobicContact CB-CD1 4.46Å; A375-Y388 HydrophobicContact CB-CE1 3.65Å
376G62.4Low69.4Low36 Ų3679.6 Ų79.637%0.37141%0.408SS..  trans-161143177.300000109.5
377S53.6Low68.7Low76 Ų7679.1 Ų79.153%0.53141%0.41SS..  trans-78.6135.5171.8-172.90000109.2S379S377-S379 PolarHBondContact O-N 3.2Å; S377-S379 PolarHBondContact OG-N 3.01Å; S377-S379 PolarHBondContact OG-OG 3.32Å
378N53.1Low68.1Low67 Ų6783.7 Ų83.736%0.35843%0.428SS..  trans-84.79.5173.1-83.578.4000113.3I723 R724 S725N378-I723 PolarHBondContact ND2-O 3.32Å; N378-R724 WeakPolarHBondContact ND2-CA 3.39Å; N378-S725 WeakPolarHBondContact CB-OG 3.4Å; N378-S725 PolarHBondContact ND2-N 3.07Å; N378-S725 PolarHBondContact OD1-OG 3.12Å
379S52.8Low67.6Low55 Ų5590.4 Ų90.439%0.38546%0.457SS..SBendtrans-63.2141.3174730000110.1S377 Q381 S382S377-S379 PolarHBondContact O-N 3.2Å; S377-S379 PolarHBondContact OG-N 3.01Å; S377-S379 PolarHBondContact OG-OG 3.32Å; S379-Q381 PolarHBondContact O-N 3.41Å; S379-S382 PolarHBondContact O-N 3.49Å; S379-S382 PolarHBondContact OG-N 2.95Å
380H53.4Low67.2Low115 Ų11590.7 Ų90.753%0.53246%0.461SS..THydrogen-bonded Turntrans-59.2-18.8-179.7-72.510.2000113.3R728H380-R728 PolarHBondContact CD2-NH1 2.97Å; H380-R728 PolarHBondContact NE2-NH1 3.23Å
381Q55.3Low67.2Low189 Ų18992.2 Ų92.288%0.88348%0.475SS*.THydrogen-bonded Turntrans-92.2-18.8-177.7-71176.4-8.200114.3S379S379-Q381 PolarHBondContact O-N 3.41Å
382S50.4Low67.4Low63 Ų6387.7 Ų87.744%0.44146%0.458SS..  trans-127.785.5-179.1-91.20000112.2S379 R384S379-S382 PolarHBondContact O-N 3.49Å; S379-S382 PolarHBondContact OG-N 2.95Å; S382-R384 PolarHBondContact O-N 3.5Å
383K54.7Low67.9Low192 Ų19285.7 Ų85.784%0.83545%0.449SS*.  trans-75.97.8171.7-71.3-178.9-178.3171.50114.2M385K383-M385 PolarHBondContact O-N 3.3Å
384R54.6Low68.6Low206 Ų20684.6 Ų84.678%0.77744%0.443SS*.  trans-75.997.3-177.1-165.5176.4-178.3-175.6-0.2109.6S382 T386S382-R384 PolarHBondContact O-N 3.5Å; R384-T386 HydrophobicContact CG-CG2 4.25Å
385M65.1Low69.5Low98 Ų9881.7 Ų81.748%0.48344%0.436SS..  trans-78.8119.5166.6-162.887.577.200108K383K383-M385 PolarHBondContact O-N 3.3Å
386T75.8Confident70.5Confident66 Ų6682.1 Ų82.141%0.40543%0.431SS..EExtended strand (participates in β ladder)trans-102.6133.1172.356.20000109.1A375 R384A375-T386 PolarHBondContact N-O 2.84Å; A375-T386 PolarHBondContact O-N 2.78Å; A375-T386 VanDerWaalsContact O-O 3.1Å; A375-T386 PolarHBondContact O-OG1 3.47Å; A375-T386 VanDerWaalsContact O-OG1 3.14Å; R384-T386 HydrophobicContact CG-CG2 4.25Å
387T76.4Confident71.9Confident76 Ų7680.4 Ų80.447%0.46641%0.413SS..EExtended strand (participates in β ladder)trans-106.3124.4170.9-56.10000107.3L372 V373 Q374L372-T387 HydrophobicContact CB-CG2 4Å; L372-T387 HydrophobicContact CD1-CG2 4.08Å; L372-T387 HydrophobicContact CD2-CG2 4.14Å; L372-T387 HydrophobicContact CG-CG2 4.32Å; V373-T387 WeakPolarHBondContact O-CA 3.46Å; Q374-T387 HydrophobicContact CG-CG2 4.34Å
388Y80.8Confident73.7Confident110 Ų11080.2 Ų80.243%0.43140%0.401SS..EExtended strand (participates in β ladder)trans-126.8151.6178.661.6-76.5000110.4V373 A375 C390V373-Y388 HydrophobicContact CB-CD1 4.35Å; V373-Y388 HydrophobicContact CB-CE1 3.76Å; V373-Y388 HydrophobicContact CB-CE2 4.03Å; V373-Y388 HydrophobicContact CG1-CE1 3.79Å; V373-Y388 HydrophobicContact CG1-CE2 4.46Å; V373-Y388 VanDerWaalsContact CG1-OH 3.29Å; V373-Y388 WeakPolarHBondContact CG1-OH 3.45Å; V373-Y388 PolarHBondContact N-O 3.21Å; V373-Y388 VanDerWaalsContact O-CD1 3.23Å; V373-Y388 WeakPolarHBondContact O-CD1 3.46Å; V373-Y388 WeakPolarHBondContact O-CE1 3.2Å; V373-Y388 PolarHBondContact O-N 3.22Å; A375-Y388 HydrophobicContact CB-CD1 4.46Å; A375-Y388 HydrophobicContact CB-CE1 3.65Å; Y388-C390 WeakPolarHBondContact CD2-SG 3.22Å; Y388-C390 WeakPolarHBondContact CE2-SG 3.43Å
389K80.8Confident75.4Confident142 Ų14279.4 Ų79.462%0.61740%0.395SS*.EExtended strand (participates in β ladder)trans-88.3130.8176.4-74.7177.7178.7-170.50109.1L372L372-K389 HydrophobicContact CD2-CB 4.43Å; L372-K389 HydrophobicContact CD2-CD 4.37Å; L372-K389 HydrophobicContact CD2-CG 3.38Å
390C85Confident77.1Confident28 Ų2878 Ų7819%0.18938%0.383CS..EExtended strand (participates in β ladder)trans-119.5146.7170.2-65.10000110.3T370 R371 V373 Y388T370-C390 WeakPolarHBondContact CA-O 3.37Å; R371-C390 HydrophobicContact CG-CB 3.83Å; R371-C390 PolarHBondContact N-O 2.93Å; R371-C390 PolarHBondContact O-N 3.03Å; V373-C390 HydrophobicContact CG2-CB 4.38Å; Y388-C390 WeakPolarHBondContact CD2-SG 3.22Å; Y388-C390 WeakPolarHBondContact CE2-SG 3.43Å
391A87.9Confident79.1Confident49 Ų4973.5 Ų73.541%0.40536%0.361SS..EExtended strand (participates in β ladder)trans-66143.4164.500000110.4L335 L369L335-A391 HydrophobicContact CD2-CB 3.77Å; L369-A391 CarbonylContact O-C 3.59Å; L369-A391 WeakPolarHBondContact O-CA 3.32Å
392C87.2Confident80.9Confident2 Ų265.8 Ų65.81%0.01433%0.326CS..PPolyproline II helixtrans-87.1145.5177.9-69.40000111A336 L369 Q396 A397 Q400A336-C392 WeakPolarHBondContact CB-O 3.29Å; A336-C392 PolarHBondContact N-O 2.86Å; L369-C392 PolarHBondContact O-N 3.42Å; C392-Q396 HydrophobicContact CB-CB 3.98Å; C392-A397 HydrophobicContact CB-CB 4.11Å; C392-Q400 PolarHBondContact SG-OE1 3.37Å
393T89.1Confident82.9Confident28 Ų2863.4 Ų63.417%0.17231%0.309CS..BIsolated β-bridgetrans-73.8165.3162.271.70000110.8P332 A333 S334 S395 Q396 A397P332-T393 PolarHBondContact O-OG1 2.96Å; A333-T393 WeakPolarHBondContact O-CG2 3.45Å; S334-T393 CarbonylContact O-C 3.43Å; S334-T393 WeakPolarHBondContact O-CA 3.43Å; S334-T393 VanDerWaalsContact O-CB 3.26Å; S334-T393 WeakPolarHBondContact O-CB 3.42Å; T393-S395 VanDerWaalsContact C-N 3.28Å; T393-S395 PolarHBondContact O-N 3.18Å; T393-Q396 VanDerWaalsContact N-OE1 3.15Å; T393-Q396 PolarHBondContact O-N 2.87Å; T393-Q396 WeakPolarHBondContact OG1-CG 3.48Å; T393-Q396 PolarHBondContact OG1-N 3.18Å; T393-A397 PolarHBondContact O-N 2.78Å
394V88.7Confident84.7Confident12 Ų1254.3 Ų54.37%0.07327%0.269CS..Hα-helixtrans-52.9-46.2177.2175.10000111.5F283 S334 A336 Q396 A397 R398F283-V394 HydrophobicContact CB-CG1 4.13Å; S334-V394 PolarHBondContact O-N 2.87Å; A336-V394 HydrophobicContact CB-CG2 4.25Å; V394-Q396 PolarHBondContact O-N 3.08Å; V394-A397 PolarHBondContact O-N 2.7Å; V394-R398 WeakPolarHBondContact O-CB 3.37Å; V394-R398 PolarHBondContact O-N 3.27Å
395S86.7Confident86.7Confident65 Ų6544.5 Ų44.546%0.45523%0.232SC..Hα-helixtrans-62.9-41.5177-174.90000112.5P332 T393 R398 E399P332-S395 WeakPolarHBondContact O-CB 3.44Å; P332-S395 PolarHBondContact O-N 2.81Å; P332-S395 VanDerWaalsContact O-N 3.16Å; T393-S395 VanDerWaalsContact C-N 3.28Å; T393-S395 PolarHBondContact O-N 3.18Å; S395-R398 PolarHBondContact O-N 3.01Å; S395-E399 WeakPolarHBondContact O-CB 3.35Å; S395-E399 PolarHBondContact O-N 3.14Å
396Q87.6Confident88.1Confident49 Ų4942.2 Ų42.223%0.22922%0.22CC..Hα-helixtrans-68.4-40.5179.2-70.3168.73.100112.4R371 C392 T393 V394 E399 Q400R371-Q396 VanDerWaalsContact NH1-NE2 3.15Å; C392-Q396 HydrophobicContact CB-CB 3.98Å; T393-Q396 VanDerWaalsContact N-OE1 3.15Å; T393-Q396 PolarHBondContact O-N 2.87Å; T393-Q396 WeakPolarHBondContact OG1-CG 3.48Å; T393-Q396 PolarHBondContact OG1-N 3.18Å; V394-Q396 PolarHBondContact O-N 3.08Å; Q396-E399 PolarHBondContact O-N 3.12Å; Q396-Q400 VanDerWaalsContact O-CB 3.29Å; Q396-Q400 WeakPolarHBondContact O-CB 3.46Å; Q396-Q400 PolarHBondContact O-N 3.24Å
397A90.7Very high88.9Confident0 Ų039.4 Ų39.40%020%0.203CC..Hα-helixtrans-64.2-41.9176.700000111.1F283 A336 L369 C392 T393 V394 Q400 R401F283-A397 HydrophobicContact CB-CB 4.44Å; F283-A397 HydrophobicContact CD1-CB 3.64Å; F283-A397 HydrophobicContact CD2-CB 4.07Å; F283-A397 HydrophobicContact CE1-CB 3.8Å; F283-A397 HydrophobicContact CE2-CB 4.2Å; F283-A397 WeakPolarHBondContact CE2-O 3.3Å; F283-A397 HydrophobicContact CG-CB 3.79Å; F283-A397 HydrophobicContact CZ-CB 4.08Å; A336-A397 HydrophobicContact CB-CB 3.76Å; L369-A397 HydrophobicContact CD2-CB 4.38Å; C392-A397 HydrophobicContact CB-CB 4.11Å; T393-A397 PolarHBondContact O-N 2.78Å; V394-A397 PolarHBondContact O-N 2.7Å; A397-Q400 PolarHBondContact O-N 3.42Å; A397-R401 WeakPolarHBondContact O-CB 3.48Å; A397-R401 PolarHBondContact O-N 2.75Å
398R91.2Very high89.7Confident73 Ų7335.8 Ų35.828%0.27518%0.181SC..Hα-helixtrans-60.8-48.8172.5-179.4179.9-88.4162.4-7.3111.8F283 V394 S395 Q400 R401 D402F283-R398 HydrophobicContact CD2-CB 4.14Å; V394-R398 WeakPolarHBondContact O-CB 3.37Å; V394-R398 PolarHBondContact O-N 3.27Å; S395-R398 PolarHBondContact O-N 3.01Å; R398-Q400 VanDerWaalsContact C-N 3.31Å; R398-Q400 PolarHBondContact O-N 3.17Å; R398-R401 WeakPolarHBondContact O-CB 3.42Å; R398-R401 PolarHBondContact O-N 3.06Å; R398-D402 WeakPolarHBondContact O-CB 3.48Å; R398-D402 PolarHBondContact O-N 3.33Å
399E88.4Confident90.5Very high50 Ų5030.6 Ų30.623%0.23416%0.16CC..Hα-helixtrans-59-43.1177.1-173.1-176.3-170.800111.3S395 Q396 D402 C403 R665S395-E399 WeakPolarHBondContact O-CB 3.35Å; S395-E399 PolarHBondContact O-N 3.14Å; Q396-E399 PolarHBondContact O-N 3.12Å; E399-D402 PolarHBondContact O-N 2.86Å; E399-C403 VanDerWaalsContact O-CB 3.28Å; E399-C403 WeakPolarHBondContact O-CB 3.28Å; E399-C403 PolarHBondContact O-N 3.26Å; E399-C403 PolarHBondContact O-SG 3.01Å; E399-R665 VanDerWaalsContact CD-NH1 3.32Å; E399-R665 WeakPolarHBondContact OE1-CD 3.21Å; E399-R665 IonicContact OE1-CZ 2.7Å; E399-R665 IonicContact OE1-NE 2.75Å; E399-R665 IonicContact OE1-NH1 3.45Å; E399-R665 PolarHBondContact OE1-NH1 3.09Å; E399-R665 IonicContact OE2-NH1 3.53Å; E399-R665 PolarHBondContact OE2-NH1 3.08Å
400Q90.3Very high91.1Very high25 Ų2524.4 Ų24.412%0.11713%0.134CC..Hα-helixtrans-63.3-43.6178.7-176.4163.8-13.600112.2Q367 T370 C392 Q396 A397 R398 F404 P667 L670Q367-Q400 PolarHBondContact O-NE2 2.83Å; T370-Q400 PolarHBondContact O-NE2 3.33Å; T370-Q400 PolarHBondContact O-OE1 2.86Å; C392-Q400 PolarHBondContact SG-OE1 3.37Å; Q396-Q400 VanDerWaalsContact O-CB 3.29Å; Q396-Q400 WeakPolarHBondContact O-CB 3.46Å; Q396-Q400 PolarHBondContact O-N 3.24Å; A397-Q400 PolarHBondContact O-N 3.42Å; R398-Q400 VanDerWaalsContact C-N 3.31Å; R398-Q400 PolarHBondContact O-N 3.17Å; Q400-F404 WeakPolarHBondContact O-CB 3.45Å; Q400-F404 PolarHBondContact O-N 3.43Å; Q400-P667 HydrophobicContact CG-CB 4.43Å; Q400-L670 HydrophobicContact CG-CD2 4.45Å
401R94.3Very high91.6Very high20 Ų2023.1 Ų23.18%0.07513%0.125CC..Hα-helixtrans-58-50.3171.5176.4-155.666.8167.69.1111.5L278 V281 F283 F368 A397 R398 C403 F404 V405L278-R401 VanDerWaalsContact O-CD 3.29Å; L278-R401 WeakPolarHBondContact O-CD 3.38Å; V281-R401 PolarHBondContact O-NH1 2.84Å; F283-R401 HydrophobicContact CE2-CB 3.87Å; F283-R401 HydrophobicContact CE2-CG 4.4Å; F283-R401 HydrophobicContact CZ-CB 4.09Å; F368-R401 HydrophobicContact CD1-CB 4.05Å; F368-R401 HydrophobicContact CE1-CB 4.19Å; F368-R401 HydrophobicContact CE1-CG 4.5Å; A397-R401 WeakPolarHBondContact O-CB 3.48Å; A397-R401 PolarHBondContact O-N 2.75Å; R398-R401 WeakPolarHBondContact O-CB 3.42Å; R398-R401 PolarHBondContact O-N 3.06Å; R401-C403 PolarHBondContact O-N 3.15Å; R401-F404 WeakPolarHBondContact O-CB 3.09Å; R401-F404 PolarHBondContact O-N 3Å; R401-F404 VanDerWaalsContact O-N 3.12Å; R401-V405 PolarHBondContact O-N 2.86Å
402D93.4Very high91.9Very high27 Ų2720.8 Ų20.814%0.14411%0.106CC..Hα-helixtrans-64.6-42.8-176.4-67.6-4.1000111.7V194 R398 E399 F404 V405 K406V194-D402 HydrophobicContact CG1-CB 4.21Å; V194-D402 WeakPolarHBondContact CG1-OD1 3.46Å; V194-D402 HydrophobicContact CG2-CB 4.04Å; R398-D402 WeakPolarHBondContact O-CB 3.48Å; R398-D402 PolarHBondContact O-N 3.33Å; E399-D402 PolarHBondContact O-N 2.86Å; D402-F404 VanDerWaalsContact C-N 3.27Å; D402-F404 PolarHBondContact O-N 3.08Å; D402-V405 PolarHBondContact O-N 3.44Å; D402-K406 WeakPolarHBondContact O-CB 3.29Å; D402-K406 WeakPolarHBondContact O-CD 3.36Å; D402-K406 WeakPolarHBondContact O-CG 3.44Å; D402-K406 PolarHBondContact O-N 2.89Å
403C91.7Very high92.4Very high14 Ų1420.7 Ų20.710%0.09511%0.106CC..Hα-helixtrans-61.8-35.8174.3-74.90000111.7E399 R401 S407 R665 P667E399-C403 VanDerWaalsContact O-CB 3.28Å; E399-C403 WeakPolarHBondContact O-CB 3.28Å; E399-C403 PolarHBondContact O-N 3.26Å; E399-C403 PolarHBondContact O-SG 3.01Å; R401-C403 PolarHBondContact O-N 3.15Å; C403-S407 WeakPolarHBondContact O-CB 3.48Å; C403-S407 PolarHBondContact O-N 3.32Å; C403-S407 PolarHBondContact O-OG 2.88Å; C403-R665 WeakPolarHBondContact CB-O 2.95Å; C403-R665 PolarHBondContact SG-O 3.18Å; C403-P667 HydrophobicContact CB-CG 4.22Å
404F94.2Very high92.6Very high0 Ų022 Ų220%011%0.109CC..Hα-helixtrans-68.9-49177.2-174.1-110.4000111.3L278 L353 F364 F368 Q400 R401 D402 K406 S407 L408 P667 L670 L671 V674L278-F404 HydrophobicContact CD1-CD1 3.7Å; L278-F404 HydrophobicContact CD1-CE1 3.82Å; L353-F404 HydrophobicContact CD1-CE1 4.25Å; L353-F404 HydrophobicContact CD1-CZ 4.16Å; F364-F404 HydrophobicContact CZ-CE1 4.27Å; F364-F404 HydrophobicContact CZ-CZ 4.48Å; F368-F404 HydrophobicContact CE1-CB 4.36Å; F368-F404 HydrophobicContact CE1-CD1 4.16Å; F368-F404 HydrophobicContact CE1-CG 4.44Å; F368-F404 AromaticContact CZ-CD1 3.97Å; F368-F404 HydrophobicContact CZ-CD1 3.97Å; F368-F404 HydrophobicContact CZ-CE1 4.28Å; Q400-F404 WeakPolarHBondContact O-CB 3.45Å; Q400-F404 PolarHBondContact O-N 3.43Å; R401-F404 WeakPolarHBondContact O-CB 3.09Å; R401-F404 PolarHBondContact O-N 3Å; R401-F404 VanDerWaalsContact O-N 3.12Å; D402-F404 VanDerWaalsContact C-N 3.27Å; D402-F404 PolarHBondContact O-N 3.08Å; F404-K406 PolarHBondContact O-N 3.17Å; F404-S407 WeakPolarHBondContact O-CB 3.39Å; F404-S407 PolarHBondContact O-N 3.46Å; F404-S407 VanDerWaalsContact O-N 3.14Å; F404-L408 HydrophobicContact CD1-CD1 3.94Å; F404-L408 HydrophobicContact CE1-CD1 3.52Å; F404-L408 HydrophobicContact CE1-CG 4.28Å; F404-L408 HydrophobicContact CZ-CD1 3.88Å; F404-L408 HydrophobicContact CZ-CD2 4.39Å; F404-L408 HydrophobicContact CZ-CG 4.3Å; F404-L408 WeakPolarHBondContact O-CG 3.38Å; F404-L408 PolarHBondContact O-N 3.49Å; F404-P667 HydrophobicContact CB-CG 3.85Å; F404-P667 HydrophobicContact CD2-CG 4.08Å; F404-P667 HydrophobicContact CG-CG 4.48Å; F404-L670 HydrophobicContact CB-CD2 3.74Å; F404-L670 HydrophobicContact CD1-CD2 4.1Å; F404-L670 HydrophobicContact CD2-CB 4.27Å; F404-L670 HydrophobicContact CD2-CD2 3.44Å; F404-L670 VanDerWaalsContact CD2-CD2 3.44Å; F404-L670 HydrophobicContact CD2-CG 3.69Å; F404-L670 HydrophobicContact CE2-CD2 4.01Å; F404-L670 HydrophobicContact CE2-CG 3.81Å; F404-L670 HydrophobicContact CG-CD2 3.49Å; F404-L670 VanDerWaalsContact CG-CD2 3.49Å; F404-L670 HydrophobicContact CG-CG 4.23Å; F404-L670 HydrophobicContact CZ-CG 4.46Å; F404-L671 HydrophobicContact CD2-CD2 3.9Å; F404-L671 HydrophobicContact CD2-CG 4.11Å; F404-L671 HydrophobicContact CE2-CD2 3.64Å; F404-L671 HydrophobicContact CE2-CG 4.13Å; F404-V674 HydrophobicContact CE2-CG2 4.33Å; F404-V674 HydrophobicContact CZ-CG2 4.06Å
405V95.4Very high92.8Very high0 Ų022.6 Ų22.60%011%0.111CC..Hα-helixtrans-57.2-48.6175.11680000111.5A193 V194 I275 L278 R401 D402 S407 L408 Y409A193-V405 HydrophobicContact CB-CG1 4.29Å; A193-V405 VanDerWaalsContact O-CG1 3.32Å; A193-V405 WeakPolarHBondContact O-CG1 3.45Å; V194-V405 HydrophobicContact CG2-CB 4.12Å; V194-V405 HydrophobicContact CG2-CG1 3.85Å; I275-V405 HydrophobicContact CG1-CG1 4.41Å; I275-V405 HydrophobicContact CG2-CG1 3.65Å; L278-V405 HydrophobicContact CB-CG2 3.79Å; L278-V405 HydrophobicContact CD1-CG2 4.07Å; R401-V405 PolarHBondContact O-N 2.86Å; D402-V405 PolarHBondContact O-N 3.44Å; V405-S407 VanDerWaalsContact C-N 3.29Å; V405-S407 PolarHBondContact O-N 3.35Å; V405-L408 PolarHBondContact O-N 3.01Å; V405-Y409 WeakPolarHBondContact O-CB 3.47Å; V405-Y409 PolarHBondContact O-N 3.32Å
406K93.9Very high93.2Very high50 Ų5020 Ų2022%0.2179%0.092CC..Hα-helixtrans-57.6-41.5176-73.3165.9-173.9165.70111.9K190 V194 D402 F404 N410K190-K406 HydrophobicContact CB-CB 4.2Å; K190-K406 HydrophobicContact CB-CG 4.14Å; V194-K406 HydrophobicContact CG2-CD 4.46Å; V194-K406 HydrophobicContact CG2-CG 3.92Å; D402-K406 WeakPolarHBondContact O-CB 3.29Å; D402-K406 WeakPolarHBondContact O-CD 3.36Å; D402-K406 WeakPolarHBondContact O-CG 3.44Å; D402-K406 PolarHBondContact O-N 2.89Å; F404-K406 PolarHBondContact O-N 3.17Å; K406-N410 WeakPolarHBondContact O-CB 3.39Å; K406-N410 PolarHBondContact O-N 2.71Å
407S92.6Very high93.5Very high7 Ų717.9 Ų17.95%0.0498%0.082CC..Hα-helixtrans-67.3-43.4-179.4-59.20000112.2C403 F404 V405 S411 L666C403-S407 WeakPolarHBondContact O-CB 3.48Å; C403-S407 PolarHBondContact O-N 3.32Å; C403-S407 PolarHBondContact O-OG 2.88Å; F404-S407 WeakPolarHBondContact O-CB 3.39Å; F404-S407 PolarHBondContact O-N 3.46Å; F404-S407 VanDerWaalsContact O-N 3.14Å; V405-S407 VanDerWaalsContact C-N 3.29Å; V405-S407 PolarHBondContact O-N 3.35Å; S407-S411 WeakPolarHBondContact O-CB 3.23Å; S407-S411 PolarHBondContact O-N 3.22Å; S407-S411 VanDerWaalsContact O-N 3.08Å; S407-S411 PolarHBondContact O-OG 3.46Å; S407-L666 VanDerWaalsContact OG-CD2 3.26Å; S407-L666 WeakPolarHBondContact OG-CD2 3.48Å
408L94.7Very high93.6Very high1 Ų121.1 Ų21.11%0.00510%0.1CC..Hα-helixtrans-62.8-51.1176-70.4-179.4000111L271 V274 F404 V405 S411 L412 L671 L705L271-L408 HydrophobicContact CD1-CB 4.34Å; L271-L408 HydrophobicContact CD1-CD1 4.21Å; L271-L408 HydrophobicContact CD1-CD2 4.46Å; V274-L408 HydrophobicContact CG1-CD1 4.07Å; F404-L408 HydrophobicContact CD1-CD1 3.94Å; F404-L408 HydrophobicContact CE1-CD1 3.52Å; F404-L408 HydrophobicContact CE1-CG 4.28Å; F404-L408 HydrophobicContact CZ-CD1 3.88Å; F404-L408 HydrophobicContact CZ-CD2 4.39Å; F404-L408 HydrophobicContact CZ-CG 4.3Å; F404-L408 WeakPolarHBondContact O-CG 3.38Å; F404-L408 PolarHBondContact O-N 3.49Å; V405-L408 PolarHBondContact O-N 3.01Å; L408-S411 PolarHBondContact O-N 2.74Å; L408-L412 WeakPolarHBondContact O-CB 3.5Å; L408-L412 PolarHBondContact O-N 3.14Å; L408-L671 HydrophobicContact CD2-CD2 4.38Å; L408-L705 HydrophobicContact CD2-CD2 3.82Å
409Y96.9Very high93.5Very high0 Ų019.1 Ų19.10%09%0.094CC..Hα-helixtrans-65.6-42.7-178.4-168.4-97.1000112.7L150 L188 A193 F204 V206 F207 I275 V405 S411 L412 F413L150-Y409 VanDerWaalsContact C-OH 3.3Å; L150-Y409 WeakPolarHBondContact CA-OH 3.4Å; L150-Y409 PolarHBondContact O-OH 2.99Å; L188-Y409 HydrophobicContact CD2-CD1 4.17Å; L188-Y409 HydrophobicContact CD2-CE1 4.19Å; A193-Y409 HydrophobicContact CB-CD1 3.79Å; A193-Y409 HydrophobicContact CB-CD2 4.26Å; A193-Y409 HydrophobicContact CB-CG 3.61Å; F204-Y409 WeakPolarHBondContact CB-OH 3.47Å; F204-Y409 HydrophobicContact CD1-CE1 4.48Å; F204-Y409 AromaticContact CD2-CD1 3.97Å; F204-Y409 HydrophobicContact CD2-CD1 3.97Å; F204-Y409 AromaticContact CD2-CE1 3.19Å; F204-Y409 HydrophobicContact CD2-CE1 3.19Å; F204-Y409 HydrophobicContact CD2-CE2 4.33Å; F204-Y409 AromaticContact CD2-CZ 3.39Å; F204-Y409 WeakPolarHBondContact CD2-OH 3.38Å; F204-Y409 HydrophobicContact CE1-CE1 4.5Å; F204-Y409 AromaticContact CE2-CD1 3.75Å; F204-Y409 HydrophobicContact CE2-CD1 3.75Å; F204-Y409 AromaticContact CE2-CE1 3.22Å; F204-Y409 HydrophobicContact CE2-CE1 3.22Å; F204-Y409 AromaticContact CE2-CZ 3.96Å; F204-Y409 AromaticContact CG-CE1 3.87Å; F204-Y409 HydrophobicContact CG-CE1 3.87Å; F204-Y409 AromaticContact CG-CZ 3.78Å; F204-Y409 VanDerWaalsContact CG-OH 3.26Å; F204-Y409 WeakPolarHBondContact CG-OH 3.34Å; F204-Y409 AromaticContact CZ-CE1 3.93Å; F204-Y409 HydrophobicContact CZ-CE1 3.93Å; V206-Y409 HydrophobicContact CG1-CE2 4.08Å; V206-Y409 WeakPolarHBondContact CG1-OH 3.43Å; F207-Y409 HydrophobicContact CE1-CD2 4.36Å; F207-Y409 HydrophobicContact CE1-CE2 4.25Å; F207-Y409 HydrophobicContact CE2-CD2 4.15Å; F207-Y409 AromaticContact CE2-CE2 3.72Å; F207-Y409 HydrophobicContact CE2-CE2 3.72Å; F207-Y409 AromaticContact CZ-CD2 3.48Å; F207-Y409 HydrophobicContact CZ-CD2 3.48Å; F207-Y409 VanDerWaalsContact CZ-CD2 3.48Å; F207-Y409 AromaticContact CZ-CE2 3.38Å; F207-Y409 HydrophobicContact CZ-CE2 3.38Å; F207-Y409 HydrophobicContact CZ-CG 4.39Å; I275-Y409 HydrophobicContact CD1-CD2 3.81Å; I275-Y409 HydrophobicContact CD1-CG 4.41Å; V405-Y409 WeakPolarHBondContact O-CB 3.47Å; V405-Y409 PolarHBondContact O-N 3.32Å; Y409-S411 VanDerWaalsContact C-N 3.28Å; Y409-S411 PolarHBondContact O-N 3.49Å; Y409-L412 HydrophobicContact CD2-CD2 4.4Å; Y409-L412 WeakPolarHBondContact O-CB 3.43Å; Y409-L412 PolarHBondContact O-N 3.18Å; Y409-F413 WeakPolarHBondContact O-CB 3.18Å; Y409-F413 PolarHBondContact O-N 2.93Å
410N94.4Very high93.8Very high12 Ų1216.9 Ų16.96%0.0648%0.084CC..Hα-helixtrans-59.8-42.2176.6-175.878.8000111.3K190 K406 F413 H414K190-N410 HydrophobicContact CD-CB 4.1Å; K190-N410 VanDerWaalsContact CE-OD1 3.24Å; K190-N410 WeakPolarHBondContact CE-OD1 3.46Å; K190-N410 HydrophobicContact CG-CB 4.31Å; K406-N410 WeakPolarHBondContact O-CB 3.39Å; K406-N410 PolarHBondContact O-N 2.71Å; N410-F413 PolarHBondContact O-N 2.99Å; N410-H414 PolarHBondContact O-CD2 3.15Å; N410-H414 PolarHBondContact O-N 2.91Å
411S93.7Very high93.9Very high1 Ų116.6 Ų16.61%0.0078%0.083CC..Hα-helixtrans-70.5-36.5178.5-60.10000112.3S407 L408 Y409 F415 I704 H707 A708S407-S411 WeakPolarHBondContact O-CB 3.23Å; S407-S411 PolarHBondContact O-N 3.22Å; S407-S411 VanDerWaalsContact O-N 3.08Å; S407-S411 PolarHBondContact O-OG 3.46Å; L408-S411 PolarHBondContact O-N 2.74Å; Y409-S411 VanDerWaalsContact C-N 3.28Å; Y409-S411 PolarHBondContact O-N 3.49Å; S411-F415 WeakPolarHBondContact O-CB 3.4Å; S411-F415 PolarHBondContact O-N 3.02Å; S411-I704 WeakPolarHBondContact CB-O 3.24Å; S411-H707 PolarHBondContact OG-ND1 2.97Å; S411-A708 WeakPolarHBondContact OG-CA 3.49Å; S411-A708 VanDerWaalsContact OG-CB 3.27Å; S411-A708 WeakPolarHBondContact OG-CB 3.43Å; S411-A708 PolarHBondContact OG-N 3.4Å
412L95.5Very high93.7Very high0 Ų020.9 Ų20.90%011%0.107CC..Hα-helixtrans-58.2-52.1170171.861000111F268 L271 L272 L408 Y409 H414 F415 M416 I704F268-L412 HydrophobicContact CD2-CD1 3.87Å; F268-L412 HydrophobicContact CD2-CD2 4.22Å; F268-L412 HydrophobicContact CE2-CD1 4.18Å; F268-L412 HydrophobicContact CE2-CD2 4Å; L271-L412 HydrophobicContact CD2-CB 3.89Å; L271-L412 HydrophobicContact CD2-CD1 4.16Å; L271-L412 HydrophobicContact CD2-CD2 3.99Å; L271-L412 HydrophobicContact CD2-CG 4.22Å; L272-L412 HydrophobicContact CD2-CD2 4.34Å; L408-L412 WeakPolarHBondContact O-CB 3.5Å; L408-L412 PolarHBondContact O-N 3.14Å; Y409-L412 HydrophobicContact CD2-CD2 4.4Å; Y409-L412 WeakPolarHBondContact O-CB 3.43Å; Y409-L412 PolarHBondContact O-N 3.18Å; L412-H414 PolarHBondContact O-N 3.41Å; L412-F415 PolarHBondContact O-N 3.39Å; L412-M416 HydrophobicContact CD1-CG 4.1Å; L412-M416 VanDerWaalsContact O-CG 3.27Å; L412-M416 WeakPolarHBondContact O-CG 3.11Å; L412-M416 PolarHBondContact O-N 3.32Å; L412-I704 HydrophobicContact CB-CD1 4Å; L412-I704 HydrophobicContact CD1-CD1 3.65Å; L412-I704 HydrophobicContact CG-CD1 4.42Å
413F96.6Very high93.5Very high1 Ų121.1 Ų21.10%0.00411%0.108CC..Hα-helixtrans-59.6-48.3-178.3-179.8-87.9000111.8L147 L150 F164 I185 L188 Y409 N410 M416 V417L147-F413 HydrophobicContact CD2-CE2 4.37Å; L147-F413 HydrophobicContact CD2-CZ 4.21Å; L150-F413 HydrophobicContact CB-CD2 3.8Å; L150-F413 HydrophobicContact CB-CE2 4.21Å; F164-F413 HydrophobicContact CB-CZ 4.48Å; F164-F413 HydrophobicContact CD1-CE2 4.37Å; F164-F413 HydrophobicContact CD1-CZ 4.12Å; F164-F413 HydrophobicContact CD2-CZ 4.14Å; F164-F413 HydrophobicContact CE1-CZ 4.45Å; F164-F413 HydrophobicContact CE2-CZ 4.42Å; F164-F413 AromaticContact CG-CZ 3.97Å; F164-F413 HydrophobicContact CG-CZ 3.97Å; I185-F413 HydrophobicContact CB-CE1 4.29Å; I185-F413 HydrophobicContact CG1-CE1 4.09Å; I185-F413 HydrophobicContact CG1-CZ 4.43Å; I185-F413 HydrophobicContact CG2-CE1 3.7Å; I185-F413 HydrophobicContact CG2-CZ 4.15Å; L188-F413 HydrophobicContact CD1-CD1 4.37Å; L188-F413 HydrophobicContact CD1-CD2 4.11Å; L188-F413 HydrophobicContact CD1-CE1 4.37Å; L188-F413 HydrophobicContact CD1-CE2 4.12Å; L188-F413 HydrophobicContact CD1-CG 4.25Å; L188-F413 HydrophobicContact CD1-CZ 4.25Å; L188-F413 HydrophobicContact CD2-CB 3.74Å; L188-F413 HydrophobicContact CD2-CD1 3.87Å; L188-F413 HydrophobicContact CD2-CD2 4.24Å; L188-F413 HydrophobicContact CD2-CG 3.67Å; Y409-F413 WeakPolarHBondContact O-CB 3.18Å; Y409-F413 PolarHBondContact O-N 2.93Å; N410-F413 PolarHBondContact O-N 2.99Å; F413-M416 PolarHBondContact O-N 2.88Å; F413-V417 HydrophobicContact CD1-CG2 4.27Å; F413-V417 HydrophobicContact CE1-CG2 3.85Å; F413-V417 HydrophobicContact CZ-CG2 4.21Å; F413-V417 WeakPolarHBondContact O-CG2 3.37Å; F413-V417 PolarHBondContact O-N 3.25Å; F413-V417 VanDerWaalsContact O-N 3.09Å
414H93.8Very high93.5Very high55 Ų5520.4 Ų20.426%0.25510%0.103SC..Hα-helixtrans-64.8-39.7177.4-81.2-68000112.9N410 L412 M416 V417 D418N410-H414 PolarHBondContact O-CD2 3.15Å; N410-H414 PolarHBondContact O-N 2.91Å; L412-H414 PolarHBondContact O-N 3.41Å; H414-M416 VanDerWaalsContact C-N 3.29Å; H414-M416 PolarHBondContact O-N 3.2Å; H414-V417 WeakPolarHBondContact O-CB 3.1Å; H414-V417 PolarHBondContact O-N 2.87Å; H414-D418 PolarHBondContact O-N 3.45Å
415F92.8Very high92.7Very high24 Ų2423.8 Ų23.811%0.10512%0.121CC..Hα-helixtrans-58.9-41.8174.5174-92.1000111.9S411 L412 V417 D418 L419 L700 L703 I704S411-F415 WeakPolarHBondContact O-CB 3.4Å; S411-F415 PolarHBondContact O-N 3.02Å; L412-F415 PolarHBondContact O-N 3.39Å; F415-V417 VanDerWaalsContact C-N 3.35Å; F415-D418 PolarHBondContact O-N 2.78Å; F415-L419 HydrophobicContact CD1-CD1 4.01Å; F415-L419 HydrophobicContact CD1-CG 4.19Å; F415-L419 HydrophobicContact CE1-CD1 3.22Å; F415-L419 HydrophobicContact CE1-CD2 4.26Å; F415-L419 HydrophobicContact CE1-CG 3.61Å; F415-L419 HydrophobicContact CE2-CD2 4.41Å; F415-L419 HydrophobicContact CE2-CG 4.34Å; F415-L419 HydrophobicContact CZ-CD1 3.67Å; F415-L419 HydrophobicContact CZ-CD2 3.87Å; F415-L419 HydrophobicContact CZ-CG 3.71Å; F415-L419 WeakPolarHBondContact O-CG 3.48Å; F415-L419 PolarHBondContact O-N 2.97Å; F415-L700 HydrophobicContact CD1-CD1 3.36Å; F415-L700 HydrophobicContact CE1-CD1 2.99Å; F415-L700 HydrophobicContact CE1-CG 4.49Å; F415-L700 HydrophobicContact CE2-CD1 4.38Å; F415-L700 HydrophobicContact CG-CD1 4.19Å; F415-L700 HydrophobicContact CZ-CD1 3.58Å; F415-L703 HydrophobicContact CD2-CB 4.36Å; F415-L703 HydrophobicContact CE2-CB 4.07Å; F415-L703 HydrophobicContact CE2-CD1 3.71Å; F415-L703 HydrophobicContact CE2-CG 4.49Å; F415-L703 HydrophobicContact CZ-CD1 4.07Å; F415-I704 HydrophobicContact CB-CG1 4.37Å; F415-I704 HydrophobicContact CG-CG1 4.45Å
416M94.3Very high91.9Very high10 Ų1025.6 Ų25.65%0.04913%0.129CC..Hα-helixtrans-65.1-38.9176.9-65.7-62-69.700111.9V146 L150 F255 I260 L412 F413 H414 L419 I420V146-M416 HydrophobicContact CG1-CE 3.88Å; L150-M416 HydrophobicContact CD1-CB 4.01Å; L150-M416 HydrophobicContact CD1-CE 4.4Å; L150-M416 HydrophobicContact CD1-CG 3.75Å; F255-M416 HydrophobicContact CD1-CE 4Å; F255-M416 HydrophobicContact CE1-CE 3.19Å; F255-M416 HydrophobicContact CZ-CE 3.68Å; I260-M416 HydrophobicContact CD1-CE 3.63Å; I260-M416 HydrophobicContact CD1-SD 4.5Å; L412-M416 HydrophobicContact CD1-CG 4.1Å; L412-M416 VanDerWaalsContact O-CG 3.27Å; L412-M416 WeakPolarHBondContact O-CG 3.11Å; L412-M416 PolarHBondContact O-N 3.32Å; F413-M416 PolarHBondContact O-N 2.88Å; H414-M416 VanDerWaalsContact C-N 3.29Å; H414-M416 PolarHBondContact O-N 3.2Å; M416-L419 PolarHBondContact O-N 3.15Å; M416-L419 HydrophobicContact SD-CD1 4.29Å; M416-I420 WeakPolarHBondContact O-CD1 2.93Å; M416-I420 WeakPolarHBondContact O-CG1 3.43Å; M416-I420 PolarHBondContact O-N 3.24Å; M416-I420 VanDerWaalsContact O-N 3.08Å
417V94.7Very high90.9Very high5 Ų530 Ų303%0.0316%0.155CC..Hα-helixtrans-63.6-42.3173.4170.70000111.4L147 L183 I185 F413 H414 F415 I420 N421L147-V417 HydrophobicContact CD2-CG2 3.93Å; L183-V417 HydrophobicContact CD2-CG1 4.19Å; L183-V417 HydrophobicContact CD2-CG2 4.42Å; L183-V417 HydrophobicContact CG-CG1 4.48Å; I185-V417 HydrophobicContact CD1-CG2 4.48Å; I185-V417 HydrophobicContact CG1-CB 4.49Å; I185-V417 HydrophobicContact CG1-CG1 3.94Å; I185-V417 HydrophobicContact CG1-CG2 3.73Å; F413-V417 HydrophobicContact CD1-CG2 4.27Å; F413-V417 HydrophobicContact CE1-CG2 3.85Å; F413-V417 HydrophobicContact CZ-CG2 4.21Å; F413-V417 WeakPolarHBondContact O-CG2 3.37Å; F413-V417 PolarHBondContact O-N 3.25Å; F413-V417 VanDerWaalsContact O-N 3.09Å; H414-V417 WeakPolarHBondContact O-CB 3.1Å; H414-V417 PolarHBondContact O-N 2.87Å; F415-V417 VanDerWaalsContact C-N 3.35Å; V417-I420 PolarHBondContact O-N 3.41Å; V417-N421 WeakPolarHBondContact O-CB 2.88Å; V417-N421 PolarHBondContact O-N 3.35Å; V417-N421 PolarHBondContact O-ND2 3.4Å
418D92Very high89.9Confident69 Ų6935.2 Ų35.237%0.36918%0.182SC..Hα-helixtrans-66.7-39.1177.8-70.4-19.9000111.6H414 F415 I420 N421 N422H414-D418 PolarHBondContact O-N 3.45Å; F415-D418 PolarHBondContact O-N 2.78Å; D418-I420 VanDerWaalsContact C-N 3.33Å; D418-I420 PolarHBondContact O-N 2.5Å; D418-N421 PolarHBondContact O-N 3.38Å; D418-N422 WeakPolarHBondContact O-CB 3.41Å; D418-N422 PolarHBondContact O-N 2.71Å; D418-N422 PolarHBondContact O-ND2 3.12Å; D418-N422 PolarHBondContact O-OD1 2.86Å
419L91Very high88.7Confident30 Ų3039 Ų3916%0.15721%0.206CC..Hα-helixtrans-58.8-44.2171.9-78.3-173.1000112.1F415 M416 Q423F415-L419 HydrophobicContact CD1-CD1 4.01Å; F415-L419 HydrophobicContact CD1-CG 4.19Å; F415-L419 HydrophobicContact CE1-CD1 3.22Å; F415-L419 HydrophobicContact CE1-CD2 4.26Å; F415-L419 HydrophobicContact CE1-CG 3.61Å; F415-L419 HydrophobicContact CE2-CD2 4.41Å; F415-L419 HydrophobicContact CE2-CG 4.34Å; F415-L419 HydrophobicContact CZ-CD1 3.67Å; F415-L419 HydrophobicContact CZ-CD2 3.87Å; F415-L419 HydrophobicContact CZ-CG 3.71Å; F415-L419 WeakPolarHBondContact O-CG 3.48Å; F415-L419 PolarHBondContact O-N 2.97Å; M416-L419 PolarHBondContact O-N 3.15Å; M416-L419 HydrophobicContact SD-CD1 4.29Å; L419-Q423 WeakPolarHBondContact O-CG 3.49Å; L419-Q423 PolarHBondContact O-N 3.11Å
420I93.5Very high87.7Confident3 Ų347.7 Ų47.72%0.01525%0.246CC..Hα-helixtrans-62.6-49.1175.4-68159.7000109.6T139 V146 L258 M416 V417 D418 N422 Q423 L424T139-I420 HydrophobicContact CG2-CG2 4.44Å; V146-I420 HydrophobicContact CG1-CD1 4.29Å; L258-I420 HydrophobicContact CD1-CG1 4.12Å; M416-I420 WeakPolarHBondContact O-CD1 2.93Å; M416-I420 WeakPolarHBondContact O-CG1 3.43Å; M416-I420 PolarHBondContact O-N 3.24Å; M416-I420 VanDerWaalsContact O-N 3.08Å; V417-I420 PolarHBondContact O-N 3.41Å; D418-I420 VanDerWaalsContact C-N 3.33Å; D418-I420 PolarHBondContact O-N 2.5Å; I420-N422 VanDerWaalsContact C-N 3.33Å; I420-N422 PolarHBondContact O-N 3.01Å; I420-Q423 WeakPolarHBondContact O-CB 3.48Å; I420-Q423 PolarHBondContact O-N 3.01Å; I420-L424 HydrophobicContact CG2-CD1 3.9Å; I420-L424 HydrophobicContact CG2-CG 4.33Å; I420-L424 WeakPolarHBondContact O-CG 3.31Å; I420-L424 PolarHBondContact O-N 3.36Å
421N93.1Very high86.8Confident20 Ų2049.9 Ų49.911%0.10727%0.272CS..Hα-helixtrans-60.1-39.2-179.7-80.4-33.3000113.4L183 V417 D418 Q423 L424L183-N421 WeakPolarHBondContact CB-OD1 3.02Å; L183-N421 PolarHBondContact N-OD1 3.5Å; L183-N421 PolarHBondContact O-ND2 3.09Å; L183-N421 PolarHBondContact O-OD1 3.16Å; V417-N421 WeakPolarHBondContact O-CB 2.88Å; V417-N421 PolarHBondContact O-N 3.35Å; V417-N421 PolarHBondContact O-ND2 3.4Å; D418-N421 PolarHBondContact O-N 3.38Å; N421-Q423 PolarHBondContact O-N 3Å; N421-L424 PolarHBondContact O-N 2.68Å; N421-L424 VanDerWaalsContact O-N 3.09Å
422N90.4Very high86.2Confident109 Ų10951.8 Ų51.858%0.58328%0.284SS*.Hα-helixtrans-62.1-28.6175.8-69.1-19.4000112.1D418 I420D418-N422 WeakPolarHBondContact O-CB 3.41Å; D418-N422 PolarHBondContact O-N 2.71Å; D418-N422 PolarHBondContact O-ND2 3.12Å; D418-N422 PolarHBondContact O-OD1 2.86Å; I420-N422 VanDerWaalsContact C-N 3.33Å; I420-N422 PolarHBondContact O-N 3.01Å
423Q89.3Confident85.6Confident32 Ų3254.2 Ų54.215%0.1530%0.298CS..Hα-helixtrans-84-17.5177-70.5-178.215.400113.5F135 T139 L258 L419 I420 N421 N425F135-Q423 HydrophobicContact CE1-CB 3.53Å; F135-Q423 HydrophobicContact CE1-CG 3.8Å; F135-Q423 WeakPolarHBondContact CE1-O 3.33Å; F135-Q423 HydrophobicContact CZ-CB 3.94Å; F135-Q423 HydrophobicContact CZ-CG 3.81Å; T139-Q423 HydrophobicContact CG2-CB 3.81Å; L258-Q423 PolarHBondContact O-NE2 3.5Å; L258-Q423 PolarHBondContact O-OE1 2.93Å; L419-Q423 WeakPolarHBondContact O-CG 3.49Å; L419-Q423 PolarHBondContact O-N 3.11Å; I420-Q423 WeakPolarHBondContact O-CB 3.48Å; I420-Q423 PolarHBondContact O-N 3.01Å; N421-Q423 PolarHBondContact O-N 3Å; Q423-N425 VanDerWaalsContact C-N 3.28Å; Q423-N425 PolarHBondContact O-N 2.89Å
424L90.1Very high85.4Confident0 Ų054.5 Ų54.50%030%0.3CS..THydrogen-bonded Turntrans-87.19.3179.2-64.5175.7000113.8I136 T139 L140 A180 A181 I420 N421 F426I136-L424 HydrophobicContact CG2-CD2 4.07Å; T139-L424 HydrophobicContact CG2-CD2 3.54Å; T139-L424 HydrophobicContact CG2-CG 4.02Å; L140-L424 HydrophobicContact CD2-CD1 3.75Å; L140-L424 HydrophobicContact CD2-CD2 3.68Å; L140-L424 HydrophobicContact CD2-CG 4.39Å; L140-L424 HydrophobicContact CG-CD2 3.59Å; A180-L424 WeakPolarHBondContact CA-O 3.47Å; A181-L424 HydrophobicContact CB-CB 4.23Å; A181-L424 HydrophobicContact CB-CD1 4.13Å; A181-L424 HydrophobicContact CB-CD2 4.28Å; A181-L424 HydrophobicContact CB-CG 4.45Å; A181-L424 PolarHBondContact N-O 3.22Å; A181-L424 WeakPolarHBondContact O-CB 3.49Å; I420-L424 HydrophobicContact CG2-CD1 3.9Å; I420-L424 HydrophobicContact CG2-CG 4.33Å; I420-L424 WeakPolarHBondContact O-CG 3.31Å; I420-L424 PolarHBondContact O-N 3.36Å; N421-L424 PolarHBondContact O-N 2.68Å; N421-L424 VanDerWaalsContact O-N 3.09Å; L424-F426 PolarHBondContact O-N 3.27Å; L424-F426 VanDerWaalsContact O-N 3.11Å
425N79.1Confident85.4Confident71 Ų7152.6 Ų52.638%0.3829%0.291SS..THydrogen-bonded Turntrans52.630.2173-70.1-24.7000115.3I136 Q423 D427 N428I136-N425 HydrophobicContact CD1-CB 4.41Å; Q423-N425 VanDerWaalsContact C-N 3.28Å; Q423-N425 PolarHBondContact O-N 2.89Å; N425-D427 PolarHBondContact O-N 3.15Å; N425-N428 PolarHBondContact O-N 3.47Å; N425-N428 VanDerWaalsContact O-N 3.15Å
426F77.4Confident85.6Confident38 Ų3851.4 Ų51.417%0.16729%0.286CS..THydrogen-bonded Turntrans-61.7-29.2-175.7-170.5-98.5000114.2L171 K182 L424 N428 T429L171-F426 HydrophobicContact CD1-CD2 3.71Å; L171-F426 HydrophobicContact CD1-CE2 3.57Å; L171-F426 HydrophobicContact CD1-CZ 4.48Å; L171-F426 HydrophobicContact CG-CD2 4.47Å; L171-F426 HydrophobicContact CG-CE2 4.21Å; K182-F426 HydrophobicContact CB-CB 4.36Å; K182-F426 HydrophobicContact CB-CD2 3.37Å; K182-F426 HydrophobicContact CB-CE2 3.65Å; K182-F426 HydrophobicContact CB-CG 3.83Å; K182-F426 HydrophobicContact CB-CZ 4.36Å; K182-F426 HydrophobicContact CD-CD1 3.8Å; K182-F426 HydrophobicContact CD-CD2 4.03Å; K182-F426 HydrophobicContact CD-CE1 3.7Å; K182-F426 HydrophobicContact CD-CE2 3.9Å; K182-F426 HydrophobicContact CD-CG 3.95Å; K182-F426 HydrophobicContact CD-CZ 3.75Å; K182-F426 HydrophobicContact CG-CD2 4.32Å; K182-F426 HydrophobicContact CG-CE2 4.45Å; K182-F426 HydrophobicContact CG-CG 4.42Å; L424-F426 PolarHBondContact O-N 3.27Å; L424-F426 VanDerWaalsContact O-N 3.11Å; F426-N428 PolarHBondContact O-N 3.15Å; F426-T429 VanDerWaalsContact O-CG2 3.3Å; F426-T429 WeakPolarHBondContact O-CG2 3.4Å
427D73.1Confident85.7Confident142 Ų14251 Ų5176%0.75928%0.284SS*.THydrogen-bonded Turntrans-71-21.3-179.2-62.6-30.3000112.7N425 T429N425-D427 PolarHBondContact O-N 3.15Å; D427-T429 PolarHBondContact O-N 2.92Å
428N71.7Confident85.9Confident117 Ų11750.7 Ų50.763%0.62628%0.283SS*.  trans-93.675.6177.4-71.7-12.8000110.4N425 F426 E430N425-N428 PolarHBondContact O-N 3.47Å; N425-N428 VanDerWaalsContact O-N 3.15Å; F426-N428 PolarHBondContact O-N 3.15Å; N428-E430 PolarHBondContact O-N 3.45Å
429T70.2Confident86.1Confident81 Ų8147.5 Ų47.550%0.49727%0.265SS..  trans-82.117.9179.461.80000114L171 F426 D427 G431 V432L171-T429 HydrophobicContact CD1-CG2 4.35Å; F426-T429 VanDerWaalsContact O-CG2 3.3Å; F426-T429 WeakPolarHBondContact O-CG2 3.4Å; D427-T429 PolarHBondContact O-N 2.92Å; T429-G431 PolarHBondContact O-N 2.8Å; T429-V432 WeakPolarHBondContact O-CG2 3.37Å; T429-V432 PolarHBondContact O-N 2.83Å
430E74.7Confident86.3Confident181 Ų18146.2 Ų46.285%0.84626%0.259SS*.THydrogen-bonded Turntrans-64.9125.9179.6-68.9-170.7172.900111N428 V432N428-E430 PolarHBondContact O-N 3.45Å; E430-V432 VanDerWaalsContact C-N 3.25Å; E430-V432 PolarHBondContact O-N 2.94Å
431G76.4Confident86.2Confident59 Ų5946.5 Ų46.561%0.60826%0.26SS*.THydrogen-bonded Turntrans78.8-0.4179.100000115.4T429T429-G431 PolarHBondContact O-N 2.8Å
432V80.8Confident85.8Confident41 Ų4145.9 Ų45.925%0.24826%0.257CS..EExtended strand (participates in β ladder)trans-64.9134.2171.9178.20000109.6L171 V179 T429 E430L171-V432 HydrophobicContact CB-CG1 3.9Å; L171-V432 HydrophobicContact CB-CG2 4.03Å; L171-V432 HydrophobicContact CD1-CG1 4.32Å; L171-V432 HydrophobicContact CD1-CG2 4.16Å; L171-V432 HydrophobicContact CD2-CG1 4.15Å; L171-V432 HydrophobicContact CG-CG1 4.35Å; V179-V432 HydrophobicContact CG2-CG2 3.62Å; T429-V432 WeakPolarHBondContact O-CG2 3.37Å; T429-V432 PolarHBondContact O-N 2.83Å; E430-V432 VanDerWaalsContact C-N 3.25Å; E430-V432 PolarHBondContact O-N 2.94Å
433V82.9Confident85.7Confident51 Ų5140.9 Ų40.931%0.30923%0.231SC..EExtended strand (participates in β ladder)trans-117.9-36.7-179.7-171.20000111.4Y172 R174Y172-V433 PolarHBondContact O-N 3.47Å; R174-V433 HydrophobicContact CB-CG2 4.21Å; R174-V433 HydrophobicContact CG-CG2 3.3Å
434S91.6Very high85.7Confident7 Ų740.3 Ų40.35%0.04923%0.228CC..EExtended strand (participates in β ladder)trans-152.4150.1-165.1620000111.2L87 Y172L87-S434 WeakPolarHBondContact CD2-OG 3.48Å; L87-S434 VanDerWaalsContact CG-OG 3.28Å; L87-S434 WeakPolarHBondContact CG-OG 2.96Å; Y172-S434 PolarHBondContact N-O 3.46Å; Y172-S434 PolarHBondContact O-N 3.2Å
435E94.1Very high85.5Confident14 Ų1440.6 Ų40.67%0.06523%0.229CC..EExtended strand (participates in β ladder)trans-118.1138.4-176.7178.6178.1165.400112L87 N93 Q94 R169 L170 L171 H801L87-E435 WeakPolarHBondContact CD1-O 3.47Å; N93-E435 CarbonylContact C-O 3.59Å; N93-E435 VanDerWaalsContact CA-O 3.3Å; N93-E435 WeakPolarHBondContact CA-O 3.43Å; N93-E435 HydrophobicContact CB-CB 4.2Å; N93-E435 WeakPolarHBondContact CB-O 3.25Å; N93-E435 PolarHBondContact OD1-N 2.85Å; Q94-E435 PolarHBondContact N-O 2.88Å; R169-E435 WeakPolarHBondContact CB-OE1 3.27Å; R169-E435 VanDerWaalsContact CG-OE1 3.32Å; R169-E435 WeakPolarHBondContact CG-OE1 3.46Å; R169-E435 IonicContact CZ-OE1 3.85Å; R169-E435 IonicContact CZ-OE2 3.42Å; R169-E435 IonicContact NE-OE1 2.93Å; R169-E435 PolarHBondContact NE-OE1 2.78Å; R169-E435 IonicContact NE-OE2 3Å; R169-E435 IonicContact NH2-OE1 2.71Å; R169-E435 PolarHBondContact NH2-OE1 2.93Å; R169-E435 IonicContact NH2-OE2 2.6Å; R169-E435 PolarHBondContact NH2-OE2 3.49Å; L170-E435 WeakPolarHBondContact O-CA 3.24Å; L171-E435 HydrophobicContact CD2-CB 3.93Å; L171-E435 HydrophobicContact CD2-CG 3.9Å; E435-H801 IonicContact OE1-NE2 3.77Å
436L96.5Very high85.9Confident0 Ų040 Ų400%023%0.23CC..EExtended strand (participates in β ladder)trans-117.2115.8167.7-168.9161.4000109.6C83 L84 Q94 L117 L170 Y172 I438C83-L436 HydrophobicContact CB-CD1 3.82Å; L84-L436 HydrophobicContact CD2-CD1 4.29Å; Q94-L436 HydrophobicContact CB-CG 4.46Å; Q94-L436 CarbonylContact O-C 3.58Å; Q94-L436 VanDerWaalsContact O-CA 3.29Å; Q94-L436 WeakPolarHBondContact O-CA 3.27Å; L117-L436 HydrophobicContact CD1-CD1 4.16Å; L117-L436 HydrophobicContact CD1-CD2 3.87Å; L117-L436 HydrophobicContact CD2-CD1 4.21Å; L170-L436 HydrophobicContact CB-CB 4.43Å; L170-L436 WeakPolarHBondContact CB-O 3.39Å; L170-L436 HydrophobicContact CD1-CD2 4.42Å; L170-L436 PolarHBondContact N-O 3.02Å; L170-L436 PolarHBondContact O-N 2.81Å; Y172-L436 HydrophobicContact CD2-CB 4.29Å; Y172-L436 HydrophobicContact CE2-CB 3.83Å; Y172-L436 HydrophobicContact CE2-CD1 4.48Å; L436-I438 HydrophobicContact CD2-CD1 4.42Å; L436-I438 HydrophobicContact CD2-CG1 3.78Å
437G97.2Very high86.2Confident0 Ų039.9 Ų39.90%023%0.231CC..EExtended strand (participates in β ladder)trans-95.2140.6175.800000113.1Q94 S95 I96 I168Q94-G437 PolarHBondContact O-N 3.49Å; S95-G437 CarbonylContact C-O 3.55Å; S95-G437 WeakPolarHBondContact CA-O 3.06Å; S95-G437 WeakPolarHBondContact OG-CA 3.25Å; I96-G437 PolarHBondContact N-O 3.14Å; I168-G437 CarbonylContact O-C 3.53Å; I168-G437 WeakPolarHBondContact O-CA 3.3Å
438I97.9Very high86.7Confident0 Ų038.7 Ų38.70%023%0.225CC..EExtended strand (participates in β ladder)trans-121.8116170-50.5168.2000107.8I98 T110 I113 L114 L117 Y167 I168 L170 L436I98-I438 HydrophobicContact CD1-CG2 3.92Å; T110-I438 HydrophobicContact CG2-CG2 3.92Å; I113-I438 HydrophobicContact CG2-CD1 3.84Å; I113-I438 HydrophobicContact CG2-CG1 4.42Å; L114-I438 HydrophobicContact CD1-CD1 4.37Å; L117-I438 HydrophobicContact CD1-CD1 3.91Å; Y167-I438 WeakPolarHBondContact CA-O 3.5Å; I168-I438 HydrophobicContact CB-CB 4.37Å; I168-I438 PolarHBondContact N-O 3.28Å; I168-I438 PolarHBondContact O-N 2.63Å; L170-I438 HydrophobicContact CD1-CD1 4.1Å; L436-I438 HydrophobicContact CD2-CD1 4.42Å; L436-I438 HydrophobicContact CD2-CG1 3.78Å
439L97.4Very high87.4Confident1 Ų137.6 Ų37.61%0.00522%0.222CC..EExtended strand (participates in β ladder)trans-106.7115.4-178.6-177.464.7000110.8I96 I97 I98 Y167 L441 L464 L794 L798I96-L439 PolarHBondContact O-N 3.19Å; I97-L439 HydrophobicContact CG1-CB 4.34Å; I97-L439 HydrophobicContact CG1-CD2 4.27Å; I97-L439 HydrophobicContact CG2-CD2 4.27Å; I98-L439 PolarHBondContact N-O 3.12Å; Y167-L439 HydrophobicContact CD2-CB 3.89Å; Y167-L439 HydrophobicContact CD2-CD1 3.99Å; Y167-L439 HydrophobicContact CE2-CB 4.4Å; Y167-L439 HydrophobicContact CG-CD1 4.26Å; L439-L441 HydrophobicContact CD1-CD1 3.94Å; L439-L441 HydrophobicContact CD1-CD2 4.04Å; L439-L441 HydrophobicContact CD1-CG 3.65Å; L439-L441 HydrophobicContact CD2-CD1 3.79Å; L439-L441 HydrophobicContact CD2-CG 4.23Å; L439-L441 HydrophobicContact CG-CD1 4.01Å; L439-L441 HydrophobicContact CG-CG 3.88Å; L439-L464 HydrophobicContact CD2-CD2 3.89Å; L439-L794 HydrophobicContact CD1-CD1 4.13Å; L439-L794 HydrophobicContact CD1-CD2 3.69Å; L439-L794 HydrophobicContact CD2-CD1 4.44Å; L439-L794 HydrophobicContact CD2-CD2 3.89Å; L439-L794 HydrophobicContact CD2-CG 4.45Å; L439-L794 HydrophobicContact CG-CD2 4.48Å; L439-L798 HydrophobicContact CD2-CD1 3.85Å
440D95.7Very high88.4Confident4 Ų433.9 Ų33.92%0.02120%0.199CC..EExtended strand (participates in β ladder)trans-118.697.7173.1-179.622.2000108.8T110 K166T110-D440 HydrophobicContact CG2-CB 4.11Å; T110-D440 WeakPolarHBondContact OG1-CB 3.39Å; K166-D440 HydrophobicContact CG-CB 3.95Å; K166-D440 PolarHBondContact N-O 3.29Å; K166-D440 IonicContact NZ-OD2 2.74Å; K166-D440 PolarHBondContact NZ-OD2 3.44Å; K166-D440 PolarHBondContact O-N 2.89Å
441L89.7Confident89.3Confident9 Ų926 Ų265%0.04716%0.164CC..PPolyproline II helixtrans-102.4169.9177.2-71.5175.5000111.1K106 Y186 L439 L464 L794K106-L441 WeakPolarHBondContact CE-O 3.38Å; Y186-L441 HydrophobicContact CD2-CD2 4.25Å; Y186-L441 HydrophobicContact CG-CD2 4.43Å; L439-L441 HydrophobicContact CD1-CD1 3.94Å; L439-L441 HydrophobicContact CD1-CD2 4.04Å; L439-L441 HydrophobicContact CD1-CG 3.65Å; L439-L441 HydrophobicContact CD2-CD1 3.79Å; L439-L441 HydrophobicContact CD2-CG 4.23Å; L439-L441 HydrophobicContact CG-CD1 4.01Å; L439-L441 HydrophobicContact CG-CG 3.88Å; L441-L464 HydrophobicContact CB-CD1 3.98Å; L441-L464 HydrophobicContact CD1-CD1 3.41Å; L441-L464 VanDerWaalsContact CD1-CD1 3.41Å; L441-L464 HydrophobicContact CD1-CD2 3.82Å; L441-L464 HydrophobicContact CD1-CG 3.94Å; L441-L464 HydrophobicContact CG-CD1 4.27Å; L441-L794 HydrophobicContact CD1-CD2 4.05Å
442F86.4Confident90.2Very high7 Ų723.4 Ų23.43%0.03114%0.136CC..PPolyproline II helixtrans-49.7145.9175.8-50.6-87000111.9F164 Y186 L187 I457 N461F164-F442 VanDerWaalsContact C-CZ 3.44Å; F164-F442 VanDerWaalsContact CA-CE1 3.44Å; F164-F442 VanDerWaalsContact CA-CZ 3.48Å; Y186-F442 WeakPolarHBondContact O-CZ 3.42Å; L187-F442 HydrophobicContact CB-CE2 4.18Å; L187-F442 HydrophobicContact CB-CZ 3.98Å; L187-F442 HydrophobicContact CD2-CE2 4.37Å; L187-F442 HydrophobicContact CD2-CZ 4.32Å; L187-F442 HydrophobicContact CG-CZ 4.39Å; L187-F442 WeakPolarHBondContact O-CZ 3.44Å; F442-I457 HydrophobicContact CB-CB 4.32Å; F442-I457 HydrophobicContact CB-CG1 4.11Å; F442-I457 HydrophobicContact CB-CG2 3.51Å; F442-I457 HydrophobicContact CD1-CD1 3.85Å; F442-I457 HydrophobicContact CD1-CG1 3.84Å; F442-I457 HydrophobicContact CD2-CG1 4.07Å; F442-I457 HydrophobicContact CE1-CD1 4.28Å; F442-I457 HydrophobicContact CE1-CG1 4.24Å; F442-I457 HydrophobicContact CE2-CG1 4.5Å; F442-I457 HydrophobicContact CG-CB 4.42Å; F442-I457 HydrophobicContact CG-CD1 4.21Å; F442-I457 HydrophobicContact CG-CG1 3.74Å; F442-I457 HydrophobicContact CG-CG2 4.11Å; F442-N461 PolarHBondContact O-OD1 3.11Å
443G87.7Confident90.7Very high4 Ų422.5 Ų22.54%0.04113%0.129CC..PPolyproline II helixtrans-73.2160167.200000111.6G100 K106 E445 I457 N461G100-G443 WeakPolarHBondContact O-CA 3.47Å; K106-G443 VanDerWaalsContact NZ-CA 3.31Å; G443-E445 WeakPolarHBondContact O-CG 3.4Å; G443-E445 PolarHBondContact O-N 3.12Å; G443-I457 WeakPolarHBondContact O-CG2 3.37Å; G443-N461 VanDerWaalsContact C-ND2 3.3Å; G443-N461 PolarHBondContact O-ND2 3.02Å; G443-N461 VanDerWaalsContact O-ND2 3.13Å
444F89.5Confident91.2Very high20 Ų2020.6 Ų20.69%0.08812%0.117CC..BIsolated β-bridgetrans-59.9131166.3-174-94.3000109.5S102 N458 N461 H646 Y647 G648 V651S102-F444 PolarHBondContact N-O 2.76Å; F444-N458 WeakPolarHBondContact CD2-OD1 3.41Å; F444-N458 HydrophobicContact CE2-CB 4.34Å; F444-N461 WeakPolarHBondContact CA-ND2 3.45Å; F444-N461 HydrophobicContact CD2-CB 4.36Å; F444-N461 PolarHBondContact N-ND2 2.72Å; F444-H646 HydrophobicContact CE2-CB 3.58Å; F444-H646 AromaticContact CE2-CG 3.92Å; F444-H646 HydrophobicContact CZ-CB 3.72Å; F444-Y647 HydrophobicContact CD2-CE1 4.2Å; F444-G648 WeakPolarHBondContact CE1-O 3.46Å; F444-V651 HydrophobicContact CE1-CG2 4.2Å; F444-V651 HydrophobicContact CZ-CG2 3.66Å
445E85.5Confident91.5Very high5 Ų520.3 Ų20.32%0.02311%0.114CC..  trans-124.7133.8-176.7-56.3-158136.400111.6R163 G443 Q454 I457 N458R163-E445 IonicContact CZ-OE1 3.59Å; R163-E445 IonicContact CZ-OE2 3.6Å; R163-E445 IonicContact NH1-OE1 2.67Å; R163-E445 PolarHBondContact NH1-OE1 2.83Å; R163-E445 IonicContact NH1-OE2 3.43Å; R163-E445 PolarHBondContact NH1-OE2 3.26Å; R163-E445 IonicContact NH2-OE1 2.54Å; R163-E445 IonicContact NH2-OE2 3.05Å; R163-E445 PolarHBondContact NH2-OE2 3.48Å; G443-E445 WeakPolarHBondContact O-CG 3.4Å; G443-E445 PolarHBondContact O-N 3.12Å; E445-Q454 HydrophobicContact CB-CG 4.41Å; E445-I457 HydrophobicContact CG-CG2 4.3Å; E445-N458 PolarHBondContact N-OD1 2.84Å; E445-N458 VanDerWaalsContact N-OD1 3.16Å; E445-N458 PolarHBondContact O-ND2 2.73Å; E445-N458 PolarHBondContact O-OD1 2.85Å
446C86.7Confident91.5Very high60 Ų6019.6 Ų19.641%0.40511%0.111SC..  trans-136.699.3167.8-171.60000107.3F157 V651F157-C446 WeakPolarHBondContact CE2-O 3.44Å; C446-V651 HydrophobicContact CB-CG2 4.2Å
447L85.4Confident91.4Very high34 Ų3419.6 Ų19.618%0.17811%0.111CC..  trans-93.1171.3176.8-54.2178.5000110.1F157 V449 N450 Q454F157-L447 HydrophobicContact CD2-CD2 4.12Å; F157-L447 HydrophobicContact CE2-CD2 3.64Å; F157-L447 HydrophobicContact CZ-CD2 4.36Å; L447-V449 PolarHBondContact O-N 3.3Å; L447-N450 PolarHBondContact N-OD1 3.19Å; L447-N450 PolarHBondContact O-ND2 3.31Å; L447-Q454 HydrophobicContact CD1-CG 4.09Å; L447-Q454 HydrophobicContact CG-CG 4.43Å
448D83.7Confident91.3Very high118 Ų11819.6 Ų19.663%0.63111%0.111SC*.SBendtrans-58.9-39.3172.7-56.9-43.7000111.8Q156Q156-D448 PolarHBondContact NE2-OD2 3.16Å
449V85.5Confident91.2Very high93 Ų9319.6 Ų19.656%0.56411%0.111SC*.SBendtrans-127.2104.1175.8-174.70000109.2L447L447-V449 PolarHBondContact O-N 3.3Å
450N92.1Very high91.1Very high3 Ų319.7 Ų19.72%0.01611%0.112CC..BIsolated β-bridgetrans-92.3128176.3-55.2-77000110L447 Q454 V651 T652 Y653 S654L447-N450 PolarHBondContact N-OD1 3.19Å; L447-N450 PolarHBondContact O-ND2 3.31Å; N450-Q454 HydrophobicContact CB-CB 3.99Å; N450-Q454 HydrophobicContact CB-CG 4.3Å; N450-V651 HydrophobicContact CB-CG1 3.99Å; N450-V651 WeakPolarHBondContact ND2-CG1 3.39Å; N450-T652 WeakPolarHBondContact CB-O 3.37Å; N450-T652 PolarHBondContact ND2-O 3.31Å; N450-Y653 HydrophobicContact CB-CD1 3.55Å; N450-Y653 HydrophobicContact CB-CE1 3.81Å; N450-Y653 HydrophobicContact CB-CG 4.33Å; N450-Y653 WeakPolarHBondContact O-CA 3Å; N450-S654 PolarHBondContact O-N 3.08Å
451S92.8Very high91Very high16 Ų1619.6 Ų19.611%0.11211%0.112CC..  trans-114.9-166.5178.7-1620000111.2E453 Q454 Y455 K661S451-E453 PolarHBondContact O-N 2.98Å; S451-Q454 VanDerWaalsContact N-OE1 3.12Å; S451-Q454 PolarHBondContact O-N 3.15Å; S451-Y455 PolarHBondContact O-N 2.96Å; S451-K661 PolarHBondContact OG-NZ 2.72Å
452F94.8Very high91.2Very high5 Ų519.2 Ų19.22%0.02211%0.109CC..Hα-helixtrans-56.3-35.1-176.9176.4-102.2000113.5Y455 C456 L539 F658 K661 N662 V783 F784F452-Y455 WeakPolarHBondContact O-CB 3.43Å; F452-Y455 PolarHBondContact O-N 2.76Å; F452-C456 PolarHBondContact O-N 2.95Å; F452-C456 PolarHBondContact O-SG 3.03Å; F452-L539 HydrophobicContact CD2-CD2 4.35Å; F452-L539 HydrophobicContact CE2-CD2 4.1Å; F452-F658 HydrophobicContact CB-CD1 4.15Å; F452-F658 HydrophobicContact CB-CD2 4.21Å; F452-F658 HydrophobicContact CB-CE1 4.19Å; F452-F658 HydrophobicContact CB-CE2 4.23Å; F452-F658 HydrophobicContact CB-CG 4.18Å; F452-F658 HydrophobicContact CB-CZ 4.24Å; F452-F658 AromaticContact CD2-CD1 3.69Å; F452-F658 HydrophobicContact CD2-CD1 3.69Å; F452-F658 AromaticContact CD2-CE1 3.92Å; F452-F658 HydrophobicContact CD2-CE1 3.92Å; F452-F658 HydrophobicContact CD2-CG 4.35Å; F452-F658 HydrophobicContact CG-CD1 4.41Å; F452-K661 HydrophobicContact CB-CB 4.08Å; F452-K661 HydrophobicContact CB-CD 3.81Å; F452-K661 HydrophobicContact CD1-CB 3.72Å; F452-K661 HydrophobicContact CE1-CB 4.44Å; F452-K661 HydrophobicContact CG-CB 4.01Å; F452-N662 HydrophobicContact CD2-CB 4.4Å; F452-N662 HydrophobicContact CE2-CB 3.75Å; F452-N662 HydrophobicContact CZ-CB 3.85Å; F452-N662 VanDerWaalsContact CZ-OD1 3.29Å; F452-N662 WeakPolarHBondContact CZ-OD1 3.42Å; F452-V783 HydrophobicContact CE1-CB 3.74Å; F452-V783 HydrophobicContact CE1-CG1 3.75Å; F452-V783 HydrophobicContact CE1-CG2 4.43Å; F452-V783 HydrophobicContact CZ-CB 3.85Å; F452-V783 HydrophobicContact CZ-CG1 4.17Å; F452-F784 HydrophobicContact CE2-CB 4.03Å; F452-F784 HydrophobicContact CZ-CB 3.9Å
453E92.2Very high91.6Very high22 Ų2220.5 Ų20.510%0.10311%0.114CC..Hα-helixtrans-66.1-47.2178.5-61.575.7-166.700111.2E189 P191 S451 Y455 C456 I457 K661E189-E453 HydrophobicContact CG-CB 4.13Å; E189-E453 HydrophobicContact CG-CG 4.14Å; P191-E453 WeakPolarHBondContact CG-OE1 3.48Å; S451-E453 PolarHBondContact O-N 2.98Å; E453-Y455 VanDerWaalsContact C-N 3.25Å; E453-Y455 PolarHBondContact O-N 2.71Å; E453-C456 PolarHBondContact O-N 2.84Å; E453-I457 WeakPolarHBondContact O-CG1 2.99Å; E453-I457 PolarHBondContact O-N 2.93Å; E453-K661 VanDerWaalsContact OE1-CD 3.26Å; E453-K661 WeakPolarHBondContact OE1-CD 3.26Å; E453-K661 WeakPolarHBondContact OE1-CE 3.3Å; E453-K661 IonicContact OE1-NZ 3.15Å; E453-K661 PolarHBondContact OE1-NZ 2.92Å; E453-K661 IonicContact OE2-NZ 2.66Å; E453-K661 PolarHBondContact OE2-NZ 2.71Å
454Q93.5Very high91.9Very high11 Ų1120.7 Ų20.75%0.05111%0.114CC..Hα-helixtrans-61.5-36.4174-75.866.546.800111.2E445 L447 N450 S451 I457 N458 Y653E445-Q454 HydrophobicContact CB-CG 4.41Å; L447-Q454 HydrophobicContact CD1-CG 4.09Å; L447-Q454 HydrophobicContact CG-CG 4.43Å; N450-Q454 HydrophobicContact CB-CB 3.99Å; N450-Q454 HydrophobicContact CB-CG 4.3Å; S451-Q454 VanDerWaalsContact N-OE1 3.12Å; S451-Q454 PolarHBondContact O-N 3.15Å; Q454-I457 PolarHBondContact O-N 3.2Å; Q454-N458 VanDerWaalsContact O-CB 3.31Å; Q454-N458 WeakPolarHBondContact O-CB 3.01Å; Q454-N458 PolarHBondContact O-N 2.67Å; Q454-N458 PolarHBondContact O-ND2 3.06Å; Q454-Y653 HydrophobicContact CB-CE1 4.09Å
455Y96.5Very high92.1Very high0 Ų019.8 Ų19.80%011%0.11CC..Hα-helixtrans-62-43.4176.2-176.2-103.1000111.9S451 F452 E453 Y459 I532 N535 F642 V644 Y653 F658 F784S451-Y455 PolarHBondContact O-N 2.96Å; F452-Y455 WeakPolarHBondContact O-CB 3.43Å; F452-Y455 PolarHBondContact O-N 2.76Å; E453-Y455 VanDerWaalsContact C-N 3.25Å; E453-Y455 PolarHBondContact O-N 2.71Å; Y455-Y459 WeakPolarHBondContact O-CB 3.46Å; Y455-Y459 PolarHBondContact O-N 2.81Å; Y455-I532 HydrophobicContact CE1-CG2 4.14Å; Y455-I532 HydrophobicContact CE2-CG1 4.49Å; Y455-I532 HydrophobicContact CE2-CG2 4.27Å; Y455-I532 WeakPolarHBondContact OH-CG2 3.12Å; Y455-I532 PolarHBondContact OH-O 2.95Å; Y455-N535 PolarHBondContact OH-ND2 3.32Å; Y455-F642 HydrophobicContact CD2-CE2 4.08Å; Y455-F642 HydrophobicContact CD2-CZ 4.07Å; Y455-F642 AromaticContact CE2-CE2 3.82Å; Y455-F642 HydrophobicContact CE2-CE2 3.82Å; Y455-F642 HydrophobicContact CE2-CZ 4.05Å; Y455-V644 HydrophobicContact CE2-CG2 4.19Å; Y455-Y653 HydrophobicContact CD2-CD1 4.33Å; Y455-Y653 HydrophobicContact CD2-CD2 4.28Å; Y455-Y653 HydrophobicContact CD2-CE1 4.14Å; Y455-Y653 HydrophobicContact CD2-CE2 4.07Å; Y455-Y653 HydrophobicContact CD2-CG 4.4Å; Y455-Y653 AromaticContact CD2-CZ 3.99Å; Y455-Y653 HydrophobicContact CG-CE1 4.48Å; Y455-F658 HydrophobicContact CD1-CE1 4.07Å; Y455-F658 AromaticContact CG-CE1 3.95Å; Y455-F658 HydrophobicContact CG-CE1 3.95Å; Y455-F658 HydrophobicContact CG-CZ 4.24Å; Y455-F784 HydrophobicContact CD1-CD2 4.13Å; Y455-F784 AromaticContact CD1-CE2 3.98Å; Y455-F784 HydrophobicContact CD1-CE2 3.98Å; Y455-F784 HydrophobicContact CE1-CD2 4.08Å; Y455-F784 AromaticContact CE1-CE2 3.72Å; Y455-F784 HydrophobicContact CE1-CE2 3.72Å; Y455-F784 HydrophobicContact CE1-CZ 4.41Å
456C95.7Very high92.3Very high0 Ų021.7 Ų21.70%012%0.119CC..Hα-helixtrans-64.3-48.9173.6-63.50000111.5L187 F452 E453 N458 Y459 A460 F787L187-C456 HydrophobicContact CD2-CB 3.67Å; F452-C456 PolarHBondContact O-N 2.95Å; F452-C456 PolarHBondContact O-SG 3.03Å; E453-C456 PolarHBondContact O-N 2.84Å; C456-N458 VanDerWaalsContact C-N 3.34Å; C456-N458 PolarHBondContact O-N 3.31Å; C456-Y459 WeakPolarHBondContact O-CB 3.22Å; C456-Y459 PolarHBondContact O-N 3.39Å; C456-Y459 VanDerWaalsContact O-N 3.17Å; C456-A460 PolarHBondContact O-N 3.31Å; C456-F787 HydrophobicContact CB-CD1 3.87Å; C456-F787 HydrophobicContact CB-CE1 3.9Å; C456-F787 WeakPolarHBondContact O-CE1 3.35Å
457I93.4Very high92.5Very high0 Ų019 Ų190%010%0.101CC..Hα-helixtrans-56.1-49178.9-73.4168.7000111.1L187 F442 G443 E445 E453 Q454 Y459 A460 N461L187-I457 HydrophobicContact CD2-CG1 4.42Å; F442-I457 HydrophobicContact CB-CB 4.32Å; F442-I457 HydrophobicContact CB-CG1 4.11Å; F442-I457 HydrophobicContact CB-CG2 3.51Å; F442-I457 HydrophobicContact CD1-CD1 3.85Å; F442-I457 HydrophobicContact CD1-CG1 3.84Å; F442-I457 HydrophobicContact CD2-CG1 4.07Å; F442-I457 HydrophobicContact CE1-CD1 4.28Å; F442-I457 HydrophobicContact CE1-CG1 4.24Å; F442-I457 HydrophobicContact CE2-CG1 4.5Å; F442-I457 HydrophobicContact CG-CB 4.42Å; F442-I457 HydrophobicContact CG-CD1 4.21Å; F442-I457 HydrophobicContact CG-CG1 3.74Å; F442-I457 HydrophobicContact CG-CG2 4.11Å; G443-I457 WeakPolarHBondContact O-CG2 3.37Å; E445-I457 HydrophobicContact CG-CG2 4.3Å; E453-I457 WeakPolarHBondContact O-CG1 2.99Å; E453-I457 PolarHBondContact O-N 2.93Å; Q454-I457 PolarHBondContact O-N 3.2Å; I457-Y459 VanDerWaalsContact C-N 3.33Å; I457-Y459 PolarHBondContact O-N 2.88Å; I457-A460 PolarHBondContact O-N 2.9Å; I457-N461 PolarHBondContact O-N 3.37Å; I457-N461 PolarHBondContact O-ND2 3.15Å; I457-N461 VanDerWaalsContact O-ND2 3.09Å
458N95.1Very high92.9Very high0 Ų017.5 Ų17.50%09%0.093CC..Hα-helixtrans-68.3-33-179.4-70.9-23000111.7F444 E445 Q454 C456 N461 E462 Y653F444-N458 WeakPolarHBondContact CD2-OD1 3.41Å; F444-N458 HydrophobicContact CE2-CB 4.34Å; E445-N458 PolarHBondContact N-OD1 2.84Å; E445-N458 VanDerWaalsContact N-OD1 3.16Å; E445-N458 PolarHBondContact O-ND2 2.73Å; E445-N458 PolarHBondContact O-OD1 2.85Å; Q454-N458 VanDerWaalsContact O-CB 3.31Å; Q454-N458 WeakPolarHBondContact O-CB 3.01Å; Q454-N458 PolarHBondContact O-N 2.67Å; Q454-N458 PolarHBondContact O-ND2 3.06Å; C456-N458 VanDerWaalsContact C-N 3.34Å; C456-N458 PolarHBondContact O-N 3.31Å; N458-N461 PolarHBondContact O-N 3.49Å; N458-E462 VanDerWaalsContact O-CG 3.3Å; N458-E462 WeakPolarHBondContact O-CG 3.39Å; N458-E462 PolarHBondContact O-N 3.21Å; N458-Y653 WeakPolarHBondContact CB-OH 3.17Å; N458-Y653 PolarHBondContact ND2-OH 2.89Å
459Y96.3Very high93.2Very high0 Ų011.9 Ų11.90%06%0.063CC..Hα-helixtrans-58.4-46.4169.3172.8-104.8000112.6Y455 C456 I457 N461 E462 R463 V529 I532 E533 F784 F787 K788Y455-Y459 WeakPolarHBondContact O-CB 3.46Å; Y455-Y459 PolarHBondContact O-N 2.81Å; C456-Y459 WeakPolarHBondContact O-CB 3.22Å; C456-Y459 PolarHBondContact O-N 3.39Å; C456-Y459 VanDerWaalsContact O-N 3.17Å; I457-Y459 VanDerWaalsContact C-N 3.33Å; I457-Y459 PolarHBondContact O-N 2.88Å; Y459-N461 VanDerWaalsContact C-N 3.33Å; Y459-N461 PolarHBondContact O-N 2.91Å; Y459-E462 WeakPolarHBondContact O-CB 3.23Å; Y459-E462 PolarHBondContact O-N 2.96Å; Y459-R463 HydrophobicContact CD1-CG 4.34Å; Y459-R463 HydrophobicContact CD2-CG 4.29Å; Y459-R463 HydrophobicContact CE1-CG 3.85Å; Y459-R463 HydrophobicContact CE2-CG 3.82Å; Y459-R463 WeakPolarHBondContact O-CG 3.3Å; Y459-R463 PolarHBondContact O-N 2.98Å; Y459-R463 WeakPolarHBondContact OH-CD 3.48Å; Y459-V529 HydrophobicContact CE2-CG1 4.14Å; Y459-I532 HydrophobicContact CD2-CB 4.23Å; Y459-I532 HydrophobicContact CD2-CG2 3.46Å; Y459-I532 VanDerWaalsContact CD2-CG2 3.46Å; Y459-I532 HydrophobicContact CE2-CG2 4.28Å; Y459-I532 HydrophobicContact CG-CG2 4.08Å; Y459-E533 HydrophobicContact CE2-CG 3.76Å; Y459-E533 PolarHBondContact OH-OE1 3.31Å; Y459-F784 HydrophobicContact CD1-CE2 4.29Å; Y459-F784 HydrophobicContact CD1-CZ 4.05Å; Y459-F784 HydrophobicContact CD2-CZ 4.12Å; Y459-F784 HydrophobicContact CE1-CZ 4.37Å; Y459-F784 HydrophobicContact CE2-CZ 4.41Å; Y459-F784 HydrophobicContact CG-CE2 4.12Å; Y459-F784 AromaticContact CG-CZ 3.91Å; Y459-F784 HydrophobicContact CG-CZ 3.91Å; Y459-F787 HydrophobicContact CD1-CE1 4.29Å; Y459-K788 HydrophobicContact CE1-CB 4.13Å; Y459-K788 HydrophobicContact CE1-CG 4.07Å; Y459-K788 WeakPolarHBondContact OH-CE 3.36Å; Y459-K788 WeakPolarHBondContact OH-CG 3.38Å
460A95Very high93.2Very high2 Ų211.5 Ų11.52%0.0175%0.051CC..Hα-helixtrans-62.5-41.6176.900000111.8C456 I457 E462 R463 L464 F787 V791C456-A460 PolarHBondContact O-N 3.31Å; I457-A460 PolarHBondContact O-N 2.9Å; A460-E462 VanDerWaalsContact C-N 3.34Å; A460-E462 PolarHBondContact O-N 2.73Å; A460-R463 PolarHBondContact O-N 3.48Å; A460-R463 VanDerWaalsContact O-N 3.17Å; A460-L464 WeakPolarHBondContact O-CG 3.44Å; A460-L464 PolarHBondContact O-N 3.02Å; A460-F787 HydrophobicContact CB-CE1 4Å; A460-F787 HydrophobicContact CB-CZ 3.67Å; A460-V791 HydrophobicContact CB-CG2 4.21Å
461N93.8Very high92.9Very high3 Ų313.2 Ų13.22%0.0166%0.06CC..Hα-helixtrans-60.3-42.2174.3-76.2-55.4000112.3F442 G443 F444 I457 N458 Y459 R463 L464 H465 Y647F442-N461 PolarHBondContact O-OD1 3.11Å; G443-N461 VanDerWaalsContact C-ND2 3.3Å; G443-N461 PolarHBondContact O-ND2 3.02Å; G443-N461 VanDerWaalsContact O-ND2 3.13Å; F444-N461 WeakPolarHBondContact CA-ND2 3.45Å; F444-N461 HydrophobicContact CD2-CB 4.36Å; F444-N461 PolarHBondContact N-ND2 2.72Å; I457-N461 PolarHBondContact O-N 3.37Å; I457-N461 PolarHBondContact O-ND2 3.15Å; I457-N461 VanDerWaalsContact O-ND2 3.09Å; N458-N461 PolarHBondContact O-N 3.49Å; Y459-N461 VanDerWaalsContact C-N 3.33Å; Y459-N461 PolarHBondContact O-N 2.91Å; N461-R463 PolarHBondContact O-N 3.39Å; N461-L464 PolarHBondContact O-N 3.45Å; N461-H465 VanDerWaalsContact O-CB 3.31Å; N461-H465 WeakPolarHBondContact O-CB 3.39Å; N461-H465 PolarHBondContact O-N 2.74Å; N461-Y647 HydrophobicContact CB-CE1 4.02Å
462E94.7Very high92.5Very high0 Ų012.8 Ų12.80%06%0.058CC..Hα-helixtrans-59.6-45.2173.1-68.4-62.7153.700111.4N458 Y459 A460 L464 H465 Q466 N525 V529 I532 H646 Y647N458-E462 VanDerWaalsContact O-CG 3.3Å; N458-E462 WeakPolarHBondContact O-CG 3.39Å; N458-E462 PolarHBondContact O-N 3.21Å; Y459-E462 WeakPolarHBondContact O-CB 3.23Å; Y459-E462 PolarHBondContact O-N 2.96Å; A460-E462 VanDerWaalsContact C-N 3.34Å; A460-E462 PolarHBondContact O-N 2.73Å; E462-L464 PolarHBondContact O-N 3.47Å; E462-H465 PolarHBondContact O-N 2.94Å; E462-Q466 WeakPolarHBondContact O-CB 3.47Å; E462-Q466 PolarHBondContact O-N 3.4Å; E462-N525 WeakPolarHBondContact CA-ND2 3.31Å; E462-N525 PolarHBondContact O-ND2 3.45Å; E462-N525 WeakPolarHBondContact OE2-CB 3.18Å; E462-N525 PolarHBondContact OE2-ND2 3.39Å; E462-V529 HydrophobicContact CB-CG2 3.83Å; E462-I532 HydrophobicContact CG-CD1 4.02Å; E462-H646 WeakPolarHBondContact CG-ND1 3.34Å; E462-H646 WeakPolarHBondContact OE1-CA 3.43Å; E462-H646 WeakPolarHBondContact OE1-CB 2.94Å; E462-H646 IonicContact OE1-CG 3.27Å; E462-H646 VanDerWaalsContact OE1-CG 3.32Å; E462-H646 IonicContact OE1-ND1 3.63Å; E462-H646 PolarHBondContact OE1-ND1 3.01Å; E462-Y647 WeakPolarHBondContact OE1-CD1 3.38Å; E462-Y647 PolarHBondContact OE1-N 2.65Å
463R94.4Very high91.9Very high35 Ų3512.6 Ų12.613%0.1326%0.057CC..Hα-helixtrans-64.6-38.6179.7-66.4-73.4-71.31142112.7Y459 A460 N461 T467 V791 D792 L795Y459-R463 HydrophobicContact CD1-CG 4.34Å; Y459-R463 HydrophobicContact CD2-CG 4.29Å; Y459-R463 HydrophobicContact CE1-CG 3.85Å; Y459-R463 HydrophobicContact CE2-CG 3.82Å; Y459-R463 WeakPolarHBondContact O-CG 3.3Å; Y459-R463 PolarHBondContact O-N 2.98Å; Y459-R463 WeakPolarHBondContact OH-CD 3.48Å; A460-R463 PolarHBondContact O-N 3.48Å; A460-R463 VanDerWaalsContact O-N 3.17Å; N461-R463 PolarHBondContact O-N 3.39Å; R463-T467 PolarHBondContact O-N 3.16Å; R463-T467 VanDerWaalsContact O-N 3.14Å; R463-T467 PolarHBondContact O-OG1 3.46Å; R463-V791 HydrophobicContact CB-CG1 4.05Å; R463-V791 HydrophobicContact CG-CG1 4.24Å; R463-D792 IonicContact CZ-OD1 3.4Å; R463-D792 IonicContact NE-OD1 2.92Å; R463-D792 PolarHBondContact NE-OD1 3.27Å; R463-D792 IonicContact NH2-OD1 2.66Å; R463-D792 PolarHBondContact NH2-OD1 3.46Å; R463-L795 HydrophobicContact CB-CD1 3.75Å; R463-L795 VanDerWaalsContact CZ-CD1 3.45Å; R463-L795 VanDerWaalsContact NH2-CD1 3.34Å
464L93.2Very high91.3Very high7 Ų713.5 Ų13.54%0.0376%0.064CC..Hα-helixtrans-66.8-42.7173-66.9172.2000111.9I97 T99 L439 L441 A460 N461 E462 Q466 T467 F468 L795I97-L464 HydrophobicContact CG2-CD2 4.44Å; T99-L464 HydrophobicContact CG2-CB 4.46Å; T99-L464 HydrophobicContact CG2-CD1 3.88Å; L439-L464 HydrophobicContact CD2-CD2 3.89Å; L441-L464 HydrophobicContact CB-CD1 3.98Å; L441-L464 HydrophobicContact CD1-CD1 3.41Å; L441-L464 VanDerWaalsContact CD1-CD1 3.41Å; L441-L464 HydrophobicContact CD1-CD2 3.82Å; L441-L464 HydrophobicContact CD1-CG 3.94Å; L441-L464 HydrophobicContact CG-CD1 4.27Å; A460-L464 WeakPolarHBondContact O-CG 3.44Å; A460-L464 PolarHBondContact O-N 3.02Å; N461-L464 PolarHBondContact O-N 3.45Å; E462-L464 PolarHBondContact O-N 3.47Å; L464-Q466 VanDerWaalsContact C-N 3.34Å; L464-Q466 PolarHBondContact O-N 2.77Å; L464-T467 WeakPolarHBondContact O-CB 3.36Å; L464-T467 PolarHBondContact O-N 2.97Å; L464-F468 PolarHBondContact O-N 3.23Å; L464-L795 HydrophobicContact CD2-CD2 4.19Å
465H92.8Very high90.7Very high1 Ų116 Ų161%0.0058%0.078CC..Hα-helixtrans-61.2-43.6176.6-177.568.2000111.4N461 E462 T467 F468 M469 C523 Y647 S840N461-H465 VanDerWaalsContact O-CB 3.31Å; N461-H465 WeakPolarHBondContact O-CB 3.39Å; N461-H465 PolarHBondContact O-N 2.74Å; E462-H465 PolarHBondContact O-N 2.94Å; H465-T467 VanDerWaalsContact C-N 3.27Å; H465-T467 PolarHBondContact O-N 3.49Å; H465-F468 PolarHBondContact O-N 2.87Å; H465-M469 WeakPolarHBondContact NE2-CG 3.35Å; H465-M469 WeakPolarHBondContact O-CG 3.25Å; H465-M469 PolarHBondContact O-N 3.49Å; H465-C523 PolarHBondContact NE2-O 3.45Å; H465-Y647 HydrophobicContact CB-CD1 3.75Å; H465-Y647 HydrophobicContact CB-CE1 3.79Å; H465-Y647 HydrophobicContact CB-CG 4.23Å; H465-Y647 AromaticContact CD2-CG 3.82Å; H465-Y647 AromaticContact CG-CD1 3.83Å; H465-Y647 AromaticContact CG-CG 3.79Å; H465-S840 PolarHBondContact CE1-O 2.66Å
466Q91.2Very high89.8Confident45 Ų4516.9 Ų16.921%0.219%0.085CC..Hα-helixtrans-57.4-42.3174.2-168.4-178.536.800111.6E462 L464 R470 N525 T526E462-Q466 WeakPolarHBondContact O-CB 3.47Å; E462-Q466 PolarHBondContact O-N 3.4Å; L464-Q466 VanDerWaalsContact C-N 3.34Å; L464-Q466 PolarHBondContact O-N 2.77Å; Q466-R470 WeakPolarHBondContact O-CB 3.44Å; Q466-R470 PolarHBondContact O-N 3.35Å; Q466-N525 WeakPolarHBondContact CA-OD1 3.23Å; Q466-N525 VanDerWaalsContact CB-OD1 3.29Å; Q466-N525 WeakPolarHBondContact CB-OD1 3.42Å; Q466-T526 PolarHBondContact NE2-OG1 3.17Å; Q466-T526 VanDerWaalsContact NE2-OG1 3.17Å
467T90.9Very high88.6Confident5 Ų519.2 Ų19.23%0.0319%0.094CC..Hα-helixtrans-67.5-43.4178.5-61.40000111.9R463 L464 H465 R470 I471 L795 L803R463-T467 PolarHBondContact O-N 3.16Å; R463-T467 VanDerWaalsContact O-N 3.14Å; R463-T467 PolarHBondContact O-OG1 3.46Å; L464-T467 WeakPolarHBondContact O-CB 3.36Å; L464-T467 PolarHBondContact O-N 2.97Å; H465-T467 VanDerWaalsContact C-N 3.27Å; H465-T467 PolarHBondContact O-N 3.49Å; T467-R470 PolarHBondContact O-N 3.46Å; T467-I471 HydrophobicContact CG2-CD1 3.93Å; T467-I471 WeakPolarHBondContact O-CG1 3.3Å; T467-I471 PolarHBondContact O-N 2.68Å; T467-L795 HydrophobicContact CG2-CD2 4.35Å; T467-L795 WeakPolarHBondContact OG1-CD2 3.38Å; T467-L803 HydrophobicContact CG2-CD1 4.12Å
468F92.5Very high87.8Confident1 Ų122 Ų220%0.00411%0.111CC..Hα-helixtrans-59.6-51.2173.6169.8-98.1000111.6I42 L464 H465 R470 I471 A472 F805 L842 A845I42-F468 HydrophobicContact CD1-CE2 3.77Å; I42-F468 HydrophobicContact CD1-CZ 4.06Å; I42-F468 HydrophobicContact CG1-CE2 4.19Å; I42-F468 HydrophobicContact CG2-CE2 4.36Å; L464-F468 PolarHBondContact O-N 3.23Å; H465-F468 PolarHBondContact O-N 2.87Å; F468-R470 VanDerWaalsContact C-N 3.29Å; F468-R470 PolarHBondContact O-N 3.26Å; F468-I471 PolarHBondContact O-N 2.72Å; F468-I471 VanDerWaalsContact O-N 3.11Å; F468-A472 HydrophobicContact CD2-CB 4.24Å; F468-A472 HydrophobicContact CE1-CB 4.29Å; F468-A472 HydrophobicContact CE2-CB 3.95Å; F468-A472 HydrophobicContact CZ-CB 3.98Å; F468-A472 VanDerWaalsContact O-CB 3.28Å; F468-A472 WeakPolarHBondContact O-CB 3.39Å; F468-A472 PolarHBondContact O-N 2.98Å; F468-F805 HydrophobicContact CB-CD1 4.39Å; F468-F805 HydrophobicContact CB-CE1 4Å; F468-F805 HydrophobicContact CB-CZ 4.35Å; F468-F805 HydrophobicContact CD2-CB 4.19Å; F468-F805 AromaticContact CD2-CD1 3.74Å; F468-F805 HydrophobicContact CD2-CD1 3.74Å; F468-F805 AromaticContact CD2-CD2 3.95Å; F468-F805 HydrophobicContact CD2-CD2 3.95Å; F468-F805 HydrophobicContact CD2-CE1 4.03Å; F468-F805 HydrophobicContact CD2-CE2 4.24Å; F468-F805 AromaticContact CD2-CG 3.68Å; F468-F805 HydrophobicContact CD2-CG 3.68Å; F468-F805 HydrophobicContact CD2-CZ 4.27Å; F468-F805 HydrophobicContact CE2-CB 4.27Å; F468-F805 HydrophobicContact CE2-CD2 4.4Å; F468-F805 HydrophobicContact CE2-CG 4.18Å; F468-L842 HydrophobicContact CZ-CD2 4.33Å; F468-A845 HydrophobicContact CE1-CB 4.4Å; F468-A845 HydrophobicContact CZ-CB 4.11Å
469M89.9Confident87Confident1 Ų125 Ų251%0.00513%0.125CC..Hα-helixtrans-60.1-41.7179.8-70.1-55-54.200111.3H465 I471 V473 T474 L520 C523 Y524 A844H465-M469 WeakPolarHBondContact NE2-CG 3.35Å; H465-M469 WeakPolarHBondContact O-CG 3.25Å; H465-M469 PolarHBondContact O-N 3.49Å; M469-I471 VanDerWaalsContact C-N 3.34Å; M469-I471 PolarHBondContact O-N 2.89Å; M469-V473 HydrophobicContact CE-CB 4.12Å; M469-V473 HydrophobicContact CE-CG2 3.58Å; M469-V473 WeakPolarHBondContact O-CA 3.29Å; M469-V473 VanDerWaalsContact O-CB 3.25Å; M469-V473 WeakPolarHBondContact O-CB 3.46Å; M469-V473 PolarHBondContact O-N 3.12Å; M469-T474 PolarHBondContact O-N 3.21Å; M469-T474 VanDerWaalsContact O-N 3.13Å; M469-L520 HydrophobicContact CE-CD2 4.17Å; M469-C523 HydrophobicContact CE-CB 3.42Å; M469-C523 VanDerWaalsContact CE-CB 3.42Å; M469-C523 HydrophobicContact SD-CB 3.98Å; M469-Y524 HydrophobicContact CB-CE1 4.46Å; M469-A844 HydrophobicContact CE-CB 4.37Å
470R87.2Confident86Confident85 Ų8525.7 Ų25.732%0.32113%0.129SC..Iπ-helixtrans-58.4-45174.6-179.317959.588.4-1.6111.9Q466 T467 F468 T474 N475 N799Q466-R470 WeakPolarHBondContact O-CB 3.44Å; Q466-R470 PolarHBondContact O-N 3.35Å; T467-R470 PolarHBondContact O-N 3.46Å; F468-R470 VanDerWaalsContact C-N 3.29Å; F468-R470 PolarHBondContact O-N 3.26Å; R470-T474 CarbonylContact O-C 3.37Å; R470-T474 WeakPolarHBondContact O-CA 3.39Å; R470-T474 VanDerWaalsContact O-CB 3.31Å; R470-T474 WeakPolarHBondContact O-CB 3.31Å; R470-T474 PolarHBondContact O-N 2.89Å; R470-N475 WeakPolarHBondContact O-CB 3.44Å; R470-N475 VanDerWaalsContact O-CG 3.25Å; R470-N475 PolarHBondContact O-N 3.37Å; R470-N475 PolarHBondContact O-OD1 3.03Å; R470-N799 PolarHBondContact NH2-OD1 3.08Å
471I85.3Confident85.2Confident38 Ų3832.3 Ų32.320%0.19516%0.159CC..Iπ-helixtrans-80.5-48.9-174.7-68.5167.6000112.1T467 F468 M469 V473 L803 F805T467-I471 HydrophobicContact CG2-CD1 3.93Å; T467-I471 WeakPolarHBondContact O-CG1 3.3Å; T467-I471 PolarHBondContact O-N 2.68Å; F468-I471 PolarHBondContact O-N 2.72Å; F468-I471 VanDerWaalsContact O-N 3.11Å; M469-I471 VanDerWaalsContact C-N 3.34Å; M469-I471 PolarHBondContact O-N 2.89Å; I471-V473 VanDerWaalsContact C-N 3.34Å; I471-L803 HydrophobicContact CD1-CB 4.11Å; I471-L803 HydrophobicContact CD1-CD1 3.22Å; I471-L803 HydrophobicContact CD1-CG 3.95Å; I471-F805 HydrophobicContact CB-CE2 4.24Å; I471-F805 HydrophobicContact CB-CZ 4.39Å; I471-F805 HydrophobicContact CD1-CE2 4.49Å; I471-F805 HydrophobicContact CD1-CZ 4.09Å; I471-F805 HydrophobicContact CG2-CE2 3.97Å
472A83.9Confident84.4Confident8 Ų838.1 Ų38.17%0.06619%0.186CC..Iπ-helixtrans-72.7-28.1-176.300000112.9I42 F468 A845I42-A472 HydrophobicContact CD1-CB 3.9Å; F468-A472 HydrophobicContact CD2-CB 4.24Å; F468-A472 HydrophobicContact CE1-CB 4.29Å; F468-A472 HydrophobicContact CE2-CB 3.95Å; F468-A472 HydrophobicContact CZ-CB 3.98Å; F468-A472 VanDerWaalsContact O-CB 3.28Å; F468-A472 WeakPolarHBondContact O-CB 3.39Å; F468-A472 PolarHBondContact O-N 2.98Å; A472-A845 HydrophobicContact CB-CB 4.2Å
473V81.6Confident83.8Confident0 Ų038.9 Ų38.90%019%0.19CC..Iπ-helixtrans-115.8-64-176.6176.90000112.2M469 I471 N475 A476 W477 L520 A845 V848M469-V473 HydrophobicContact CE-CB 4.12Å; M469-V473 HydrophobicContact CE-CG2 3.58Å; M469-V473 WeakPolarHBondContact O-CA 3.29Å; M469-V473 VanDerWaalsContact O-CB 3.25Å; M469-V473 WeakPolarHBondContact O-CB 3.46Å; M469-V473 PolarHBondContact O-N 3.12Å; I471-V473 VanDerWaalsContact C-N 3.34Å; V473-N475 PolarHBondContact O-N 3.24Å; V473-A476 PolarHBondContact O-N 3.31Å; V473-W477 PolarHBondContact O-N 3.01Å; V473-L520 HydrophobicContact CB-CD2 4.46Å; V473-L520 HydrophobicContact CG1-CD1 3.93Å; V473-L520 HydrophobicContact CG1-CD2 3.55Å; V473-L520 HydrophobicContact CG1-CG 4.42Å; V473-L520 HydrophobicContact CG2-CD2 4.4Å; V473-A845 HydrophobicContact CG2-CB 4.37Å; V473-V848 HydrophobicContact CB-CG1 4.47Å; V473-V848 HydrophobicContact CB-CG2 4.13Å; V473-V848 HydrophobicContact CG1-CB 4.29Å; V473-V848 HydrophobicContact CG1-CG1 4.22Å; V473-V848 HydrophobicContact CG1-CG2 3.42Å; V473-V848 VanDerWaalsContact CG1-CG2 3.42Å; V473-V848 HydrophobicContact CG2-CB 4.3Å; V473-V848 HydrophobicContact CG2-CG2 3.93Å
474T80Confident82.7Confident42 Ų4238.7 Ų38.726%0.25820%0.198SC..Iπ-helixtrans-63.4-48.5-170.4-45.50000112.1M469 R470 A476 W477 V478 Y524M469-T474 PolarHBondContact O-N 3.21Å; M469-T474 VanDerWaalsContact O-N 3.13Å; R470-T474 CarbonylContact O-C 3.37Å; R470-T474 WeakPolarHBondContact O-CA 3.39Å; R470-T474 VanDerWaalsContact O-CB 3.31Å; R470-T474 WeakPolarHBondContact O-CB 3.31Å; R470-T474 PolarHBondContact O-N 2.89Å; T474-A476 VanDerWaalsContact C-N 3.32Å; T474-A476 PolarHBondContact O-N 3.48Å; T474-W477 PolarHBondContact O-N 3.45Å; T474-V478 HydrophobicContact CG2-CG2 4.14Å; T474-V478 WeakPolarHBondContact O-CB 3.41Å; T474-V478 VanDerWaalsContact O-CG2 3.27Å; T474-V478 WeakPolarHBondContact O-CG2 3.21Å; T474-V478 PolarHBondContact O-N 2.91Å; T474-Y524 WeakPolarHBondContact OG1-CE1 3.4Å; T474-Y524 PolarHBondContact OG1-OH 3.42Å
475N81.5Confident81.8Confident63 Ų6339 Ų3934%0.33720%0.2SC..Hα-helixtrans-65.5-36.5-177.4-735.1000111.7R470 V473 W477 V478 E479R470-N475 WeakPolarHBondContact O-CB 3.44Å; R470-N475 VanDerWaalsContact O-CG 3.25Å; R470-N475 PolarHBondContact O-N 3.37Å; R470-N475 PolarHBondContact O-OD1 3.03Å; V473-N475 PolarHBondContact O-N 3.24Å; N475-W477 VanDerWaalsContact C-N 3.27Å; N475-W477 PolarHBondContact O-N 3.33Å; N475-V478 PolarHBondContact O-N 3.02Å; N475-E479 WeakPolarHBondContact O-CB 3.37Å; N475-E479 PolarHBondContact O-N 2.86Å
476A76.6Confident80.3Confident19 Ų1942 Ų4216%0.15722%0.221CC..Hα-helixtrans-59.2-39.517900000111.6V473 T474 L480 V848 T852V473-A476 PolarHBondContact O-N 3.31Å; T474-A476 VanDerWaalsContact C-N 3.32Å; T474-A476 PolarHBondContact O-N 3.48Å; A476-L480 WeakPolarHBondContact O-CG 3.16Å; A476-L480 PolarHBondContact O-N 3.5Å; A476-V848 HydrophobicContact CB-CG1 4.18Å; A476-T852 HydrophobicContact CB-CG2 4.08Å
477W72.2Confident78.5Confident49 Ų4942.9 Ų42.919%0.18623%0.227CC..Hα-helixtrans-81.5-40.4175.4-68.3-16.5000114.4V473 T474 N475 E479 L480 E481 L516 L520 V848 S851V473-W477 PolarHBondContact O-N 3.01Å; T474-W477 PolarHBondContact O-N 3.45Å; N475-W477 VanDerWaalsContact C-N 3.27Å; N475-W477 PolarHBondContact O-N 3.33Å; W477-E479 PolarHBondContact O-N 3.44Å; W477-L480 PolarHBondContact O-N 2.97Å; W477-L480 VanDerWaalsContact O-N 3.12Å; W477-E481 PolarHBondContact O-N 2.85Å; W477-L516 HydrophobicContact CH2-CB 4.45Å; W477-L516 HydrophobicContact CH2-CD2 3.22Å; W477-L516 HydrophobicContact CH2-CG 3.54Å; W477-L516 HydrophobicContact CZ2-CD2 3.12Å; W477-L516 HydrophobicContact CZ2-CG 3.82Å; W477-L516 HydrophobicContact CZ3-CD2 4.43Å; W477-L520 HydrophobicContact CH2-CD1 3.14Å; W477-L520 HydrophobicContact CH2-CG 4.38Å; W477-L520 HydrophobicContact CZ2-CD1 4.21Å; W477-L520 HydrophobicContact CZ3-CD1 3.33Å; W477-V848 HydrophobicContact CH2-CG2 4.12Å; W477-V848 HydrophobicContact CZ2-CB 4.21Å; W477-V848 HydrophobicContact CZ2-CG1 4.18Å; W477-V848 HydrophobicContact CZ2-CG2 3.39Å; W477-S851 PolarHBondContact NE1-OG 3.19Å
478V76.2Confident76.5Confident57 Ų5747.8 Ų47.835%0.34525%0.249SC..Hα-helixtrans-57-40.8176.7168.80000109.4T474 N475 E481 E482T474-V478 HydrophobicContact CG2-CG2 4.14Å; T474-V478 WeakPolarHBondContact O-CB 3.41Å; T474-V478 VanDerWaalsContact O-CG2 3.27Å; T474-V478 WeakPolarHBondContact O-CG2 3.21Å; T474-V478 PolarHBondContact O-N 2.91Å; N475-V478 PolarHBondContact O-N 3.02Å; V478-E481 PolarHBondContact O-N 3.45Å; V478-E482 HydrophobicContact CG1-CG 4.25Å; V478-E482 WeakPolarHBondContact O-CB 3.41Å; V478-E482 VanDerWaalsContact O-CG 3.27Å; V478-E482 WeakPolarHBondContact O-CG 3.48Å; V478-E482 PolarHBondContact O-N 3.25Å
479E78Confident74.4Confident63 Ų6348.3 Ų48.329%0.29425%0.253SS..Hα-helixtrans-64-43.6176.2-174.2171.3-16600112.4N475 W477 E481 E482 E483 K856N475-E479 WeakPolarHBondContact O-CB 3.37Å; N475-E479 PolarHBondContact O-N 2.86Å; W477-E479 PolarHBondContact O-N 3.44Å; E479-E481 VanDerWaalsContact C-N 3.32Å; E479-E481 PolarHBondContact O-N 3.33Å; E479-E482 PolarHBondContact O-N 2.91Å; E479-E483 WeakPolarHBondContact O-CB 3.12Å; E479-E483 VanDerWaalsContact O-CG 3.28Å; E479-E483 WeakPolarHBondContact O-CG 3.48Å; E479-E483 PolarHBondContact O-N 3.23Å; E479-K856 WeakPolarHBondContact OE1-CD 3.35Å; E479-K856 IonicContact OE1-NZ 2.8Å; E479-K856 PolarHBondContact OE1-NZ 3.39Å; E479-K856 IonicContact OE2-NZ 2.75Å; E479-K856 PolarHBondContact OE2-NZ 3.06Å
480L76.3Confident72.4Confident16 Ų1648.7 Ų48.78%0.08426%0.256CS..Hα-helixtrans-61.9-40.6175.2-69.9174.7000112.1A476 W477 E483 G484 L485 T852 Y853A476-L480 WeakPolarHBondContact O-CG 3.16Å; A476-L480 PolarHBondContact O-N 3.5Å; W477-L480 PolarHBondContact O-N 2.97Å; W477-L480 VanDerWaalsContact O-N 3.12Å; L480-E483 CarbonylContact O-C 3.49Å; L480-E483 PolarHBondContact O-N 2.89Å; L480-G484 PolarHBondContact O-N 3.08Å; L480-G484 VanDerWaalsContact O-N 3.15Å; L480-L485 HydrophobicContact CD2-CB 4.42Å; L480-L485 HydrophobicContact CD2-CD1 3.96Å; L480-L485 PolarHBondContact O-N 3.45Å; L480-T852 HydrophobicContact CD1-CG2 3.78Å; L480-Y853 HydrophobicContact CD2-CD2 3.82Å; L480-Y853 HydrophobicContact CD2-CE2 4.25Å
481E76.2Confident70.3Confident140 Ų14047.4 Ų47.465%0.65426%0.255SS*.Hα-helixtrans-67.4-41.3176.8-172.7174.1-17000111.8W477 V478 E479 E483 G484W477-E481 PolarHBondContact O-N 2.85Å; V478-E481 PolarHBondContact O-N 3.45Å; E479-E481 VanDerWaalsContact C-N 3.32Å; E479-E481 PolarHBondContact O-N 3.33Å; E481-E483 VanDerWaalsContact C-N 3.29Å; E481-E483 PolarHBondContact O-N 3.38Å; E481-G484 PolarHBondContact O-N 3.01Å
482E78.6Confident68.3Low126 Ų12651.8 Ų51.859%0.58928%0.279SS*.Hα-helixtrans-62.4-36.9173.7-78.1-179.3175.700112V478 E479 G484 R972V478-E482 HydrophobicContact CG1-CG 4.25Å; V478-E482 WeakPolarHBondContact O-CB 3.41Å; V478-E482 VanDerWaalsContact O-CG 3.27Å; V478-E482 WeakPolarHBondContact O-CG 3.48Å; V478-E482 PolarHBondContact O-N 3.25Å; E479-E482 PolarHBondContact O-N 2.91Å; E482-G484 PolarHBondContact O-N 3.03Å; E482-R972 VanDerWaalsContact O-CD 3.29Å; E482-R972 WeakPolarHBondContact O-CD 3.46Å; E482-R972 PolarHBondContact O-NH1 2.93Å
483E81.7Confident66.4Low16 Ų1655.1 Ų55.18%0.07530%0.295CS..THydrogen-bonded Turntrans-77.3-2.2174.3-71.6-66.312700113.1E479 L480 E481 L485 G971 R972 T973 C974 H976E479-E483 WeakPolarHBondContact O-CB 3.12Å; E479-E483 VanDerWaalsContact O-CG 3.28Å; E479-E483 WeakPolarHBondContact O-CG 3.48Å; E479-E483 PolarHBondContact O-N 3.23Å; L480-E483 CarbonylContact O-C 3.49Å; L480-E483 PolarHBondContact O-N 2.89Å; E481-E483 VanDerWaalsContact C-N 3.29Å; E481-E483 PolarHBondContact O-N 3.38Å; E483-L485 VanDerWaalsContact C-N 3.27Å; E483-L485 HydrophobicContact CB-CG 4.28Å; E483-L485 PolarHBondContact O-N 3.24Å; E483-G971 CarbonylContact O-C 3.48Å; E483-G971 WeakPolarHBondContact O-CA 3.43Å; E483-G971 VanDerWaalsContact OE2-CA 3.31Å; E483-G971 WeakPolarHBondContact OE2-CA 3.35Å; E483-R972 PolarHBondContact O-N 3.12Å; E483-R972 PolarHBondContact OE2-N 2.9Å; E483-T973 WeakPolarHBondContact OE1-CB 3.37Å; E483-T973 PolarHBondContact OE1-N 3.11Å; E483-T973 PolarHBondContact OE1-OG1 3Å; E483-T973 PolarHBondContact OE2-N 2.86Å; E483-C974 PolarHBondContact OE2-N 3.21Å; E483-H976 IonicContact OE2-CE1 3.34Å
484G71.8Confident64.3Low30 Ų3060.5 Ų60.531%0.30932%0.323SS..THydrogen-bonded Turntrans72.918.517700000114L480 E481 E482L480-G484 PolarHBondContact O-N 3.08Å; L480-G484 VanDerWaalsContact O-N 3.15Å; E481-G484 PolarHBondContact O-N 3.01Å; E482-G484 PolarHBondContact O-N 3.03Å
485L74Confident62.1Low15 Ų1564 Ų648%0.07935%0.346CS..  trans-89.1112.9176.5-58.3-176.1000108.9L480 E483 Y853 H968 F970 H976L480-L485 HydrophobicContact CD2-CB 4.42Å; L480-L485 HydrophobicContact CD2-CD1 3.96Å; L480-L485 PolarHBondContact O-N 3.45Å; E483-L485 VanDerWaalsContact C-N 3.27Å; E483-L485 HydrophobicContact CB-CG 4.28Å; E483-L485 PolarHBondContact O-N 3.24Å; L485-Y853 HydrophobicContact CD1-CD2 4.2Å; L485-Y853 HydrophobicContact CD1-CE2 3.79Å; L485-H968 VanDerWaalsContact CD2-O 3.29Å; L485-H968 WeakPolarHBondContact CD2-O 3.45Å; L485-F970 WeakPolarHBondContact CD2-O 3.38Å; L485-H976 HydrophobicContact CD1-CB 4.19Å; L485-H976 WeakPolarHBondContact CD1-ND1 3.31Å
486S60.2Low59.6Low63 Ų6366.8 Ų66.844%0.44137%0.366SS..  trans-76139.6176.656.70000111.1Q488 S489S486-Q488 PolarHBondContact O-N 3.16Å; S486-S489 PolarHBondContact O-N 2.97Å; S486-S489 PolarHBondContact O-OG 2.73Å
487L54.5Low57.4Low63 Ų6372.7 Ų72.733%0.3340%0.395SS..THydrogen-bonded Turntrans-49-28.6176.1-160.481.8000113.9S489 V490 N491L487-S489 PolarHBondContact O-N 3.13Å; L487-V490 WeakPolarHBondContact O-CB 3.4Å; L487-V490 PolarHBondContact O-N 2.96Å; L487-N491 PolarHBondContact O-N 2.78Å
488Q47.8Very low55.4Low108 Ų10876.8 Ų76.851%0.50543%0.426SS..Hα-helixtrans-54.4-31.9173.1-80.4172.8-3.300113.9S486 V490 I509S486-Q488 PolarHBondContact O-N 3.16Å; Q488-V490 PolarHBondContact O-N 3.35Å; Q488-I509 HydrophobicContact CG-CD1 3.96Å; Q488-I509 HydrophobicContact CG-CG2 4.32Å
489S48.1Very low53.4Low13 Ų1380.7 Ų80.79%0.09145%0.45CS..Hα-helixtrans-69.7-18.5177.759.10000113.4S486 L487 Y853S486-S489 PolarHBondContact O-N 2.97Å; S486-S489 PolarHBondContact O-OG 2.73Å; L487-S489 PolarHBondContact O-N 3.13Å; S489-Y853 PolarHBondContact OG-OH 3.49Å
490V48.5Very low51Low9 Ų983.3 Ų83.36%0.05547%0.47CS..Hα-helixtrans-92.3-35.2-178.3-177.90000111.4L487 Q488 N492 L493 S851 Y853L487-V490 WeakPolarHBondContact O-CB 3.4Å; L487-V490 PolarHBondContact O-N 2.96Å; Q488-V490 PolarHBondContact O-N 3.35Å; V490-N492 PolarHBondContact O-N 2.73Å; V490-L493 HydrophobicContact CB-CD1 4.19Å; V490-L493 HydrophobicContact CG1-CD1 3.78Å; V490-L493 WeakPolarHBondContact O-CA 3.36Å; V490-L493 WeakPolarHBondContact O-CB 3.32Å; V490-L493 WeakPolarHBondContact O-CD1 3.5Å; V490-L493 WeakPolarHBondContact O-CG 3.23Å; V490-L493 PolarHBondContact O-N 3.34Å; V490-S851 VanDerWaalsContact CG1-C 3.45Å; V490-S851 WeakPolarHBondContact CG1-O 3.46Å; V490-S851 WeakPolarHBondContact CG2-O 3.44Å; V490-Y853 HydrophobicContact CG2-CE2 4.34Å
491N42.9Very low48.7Very low57 Ų5788 Ų8831%0.30550%0.5SS..Hα-helixtrans-63.8-25-179.1-77.5-5000113.5L487 L493 L494L487-N491 PolarHBondContact O-N 2.78Å; N491-L493 PolarHBondContact O-N 2.91Å; N491-L493 VanDerWaalsContact O-N 3.15Å; N491-L494 PolarHBondContact O-N 2.98Å
492N43.9Very low46.6Very low130 Ų13085.9 Ų85.970%0.69551%0.507SS*.THydrogen-bonded Turntrans-67.7-4.6170.4-67.7-8000113.5V490V490-N492 PolarHBondContact O-N 2.73Å
493L44.3Very low44.2Very low78 Ų7884.2 Ų84.241%0.40851%0.514SS..THydrogen-bonded Turntrans-90.1-16.4178.7-59.1166.8000113.7V490 N491 P495 Y853 T978V490-L493 HydrophobicContact CB-CD1 4.19Å; V490-L493 HydrophobicContact CG1-CD1 3.78Å; V490-L493 WeakPolarHBondContact O-CA 3.36Å; V490-L493 WeakPolarHBondContact O-CB 3.32Å; V490-L493 WeakPolarHBondContact O-CD1 3.5Å; V490-L493 WeakPolarHBondContact O-CG 3.23Å; V490-L493 PolarHBondContact O-N 3.34Å; N491-L493 PolarHBondContact O-N 2.91Å; N491-L493 VanDerWaalsContact O-N 3.15Å; L493-P495 WeakPolarHBondContact O-CD 3.32Å; L493-Y853 HydrophobicContact CD1-CE1 4.46Å; L493-T978 HydrophobicContact CD1-CG2 4.36Å; L493-T978 HydrophobicContact CD2-CG2 3.55Å
494L37.1Very low41.6Very low113 Ų11386.9 Ų86.959%0.59254%0.535SS*.SBendtrans-76.6124.2176.5-131.680.3000108.1N491 T496N491-L494 PolarHBondContact O-N 2.98Å; L494-T496 PolarHBondContact O-N 3.36Å
495P33.6Very low39.9Very low115 Ų11590.2 Ų90.275%0.74755%0.548SS*.  trans-59107.4171.5-16.428.6000107.7L493 D497L493-P495 WeakPolarHBondContact O-CD 3.32Å; P495-D497 PolarHBondContact O-N 3.13Å; P495-D497 VanDerWaalsContact O-N 3.14Å
496T29.7Very low37.8Very low122 Ų12295.5 Ų95.575%0.74858%0.582SS**  trans-67.4112.3169.951.10000106.4L494 T498L494-T496 PolarHBondContact O-N 3.36Å; T496-T498 PolarHBondContact O-N 2.98Å
497D29.2Very low36.4Very low144 Ų14498.6 Ų98.677%0.7759%0.593SS**  trans-48.2116.3170.7-75.9-33.5000108.6P495 T499P495-D497 PolarHBondContact O-N 3.13Å; P495-D497 VanDerWaalsContact O-N 3.14Å; D497-T499 PolarHBondContact O-N 3.08Å
498T32Very low35.8Very low134 Ų13498.6 Ų98.682%0.82260%0.596SS**THydrogen-bonded Turntrans-61.395.7176.745.20000108.3T496T496-T498 PolarHBondContact O-N 2.98Å
499T33Very low35.5Very low140 Ų14097.9 Ų97.986%0.85960%0.595SS**THydrogen-bonded Turntrans177.66.2153.929.60000115.4D497D497-T499 PolarHBondContact O-N 3.08Å
500T28.1Very low35.1Very low118 Ų118104.5 Ų104.572%0.72463%0.629SS**SBendtrans-111.5123.6169.14.20000111.4
501T27.4Very low34.9Very low113 Ų113109 Ų10969%0.69365%0.649SS**  trans-55.2135.3-173.740.40000112.4A503 S504T501-A503 PolarHBondContact O-N 3.45Å; T501-S504 PolarHBondContact O-N 2.85Å
502A31.8Very low34.9Very low97 Ų97111 Ų11180%0.80265%0.653SS**THydrogen-bonded Turntrans-57.1-1-174.200000116.6
503A29.1Very low35.1Very low90 Ų90111 Ų11174%0.74465%0.647SS**THydrogen-bonded Turntrans-88.7-8.8-177.400000114.6T501T501-A503 PolarHBondContact O-N 3.45Å
504S27.4Very low35.3Very low73 Ų73110.5 Ų110.551%0.5165%0.649SS.*SBendtrans-105.45.717964.40000115.1T501 T506T501-S504 PolarHBondContact O-N 2.85Å; S504-T506 VanDerWaalsContact C-N 3.33Å; S504-T506 PolarHBondContact O-N 3.39Å
505V35.6Very low35.8Very low99 Ų99112.7 Ų112.760%0.665%0.649SS**G310 helixtrans-86.62.2-175.8-175.70000113.2N507V505-N507 PolarHBondContact O-N 3.28Å
506T30.2Very low36.5Very low126 Ų126107.8 Ų107.877%0.77362%0.616SS**G310 helixtrans-74.3-4.5175.448.30000114.4S504S504-T506 VanDerWaalsContact C-N 3.33Å; S504-T506 PolarHBondContact O-N 3.39Å
507N31.4Very low37.8Very low128 Ų128105.6 Ų105.668%0.68460%0.6SS**G310 helixtrans-104.220.2-170.7-78.8-3.4000117V505V505-N507 PolarHBondContact O-N 3.28Å
508T41.6Very low39Very low64 Ų64104.2 Ų104.239%0.39359%0.592SS.*SBendtrans-131.713.2-169.855.50000118.7
509I40.4Very low40.1Very low93 Ų93100.7 Ų100.748%0.47757%0.573SS.*Hα-helixtrans-91.8-41.1175.9-61.1167.5000111.5Q488 E511Q488-I509 HydrophobicContact CG-CD1 3.96Å; Q488-I509 HydrophobicContact CG-CG2 4.32Å; I509-E511 VanDerWaalsContact C-N 3.27Å; I509-E511 PolarHBondContact O-N 3.01Å
510D40.1Very low41.4Very low151 Ų15194.1 Ų94.181%0.80753%0.533SS*.Hα-helixtrans-73.8-15.8179.8-68.6-24.8000113.2P514D510-P514 WeakPolarHBondContact O-CD 3.21Å; D510-P514 WeakPolarHBondContact O-CG 3.36Å
511E44.5Very low43Very low103 Ų10395 Ų9548%0.48153%0.528SS..Hα-helixtrans-93.4-25.2176.6-78.3-163.9160.700114.6I509 P514 R515I509-E511 VanDerWaalsContact C-N 3.27Å; I509-E511 PolarHBondContact O-N 3.01Å; E511-P514 WeakPolarHBondContact O-CD 3.17Å; E511-P514 WeakPolarHBondContact O-CG 3.24Å; E511-R515 VanDerWaalsContact O-CB 3.3Å; E511-R515 WeakPolarHBondContact O-CB 3.37Å; E511-R515 PolarHBondContact O-N 2.64Å; E511-R515 IonicContact OE2-CZ 3.95Å; E511-R515 IonicContact OE2-NH1 2.93Å; E511-R515 PolarHBondContact OE2-NH1 3.25Å
512Y43.6Very low44.6Very low100 Ų10098.5 Ų98.539%0.39253%0.534SS..Hα-helixtrans-73.5-47.4-169.7-123.3-88.3000112.8R515 L516Y512-R515 PolarHBondContact O-N 2.93Å; Y512-L516 VanDerWaalsContact O-CB 3.23Å; Y512-L516 WeakPolarHBondContact O-CB 3.45Å; Y512-L516 PolarHBondContact O-N 3.44Å
513K47.1Very low46.3Very low130 Ų13094.6 Ų94.657%0.56550%0.501SS*.Hα-helixtrans-58.9-48.3175.3-171.8171-178.7173.60111.9L516 D517K513-L516 PolarHBondContact O-N 3.39Å; K513-D517 WeakPolarHBondContact O-CB 3.47Å; K513-D517 PolarHBondContact O-N 3.04Å
514P47.9Very low48.5Very low67 Ų6793.9 Ų93.944%0.43548%0.48SS..Hα-helixtrans-69-33.717620.7-28.4000114.5D510 E511 L516 D517 L518D510-P514 WeakPolarHBondContact O-CD 3.21Å; D510-P514 WeakPolarHBondContact O-CG 3.36Å; E511-P514 WeakPolarHBondContact O-CD 3.17Å; E511-P514 WeakPolarHBondContact O-CG 3.24Å; P514-L516 VanDerWaalsContact C-N 3.3Å; P514-L516 PolarHBondContact O-N 3.46Å; P514-D517 PolarHBondContact O-N 3.09Å; P514-L518 WeakPolarHBondContact O-CB 3.45Å; P514-L518 PolarHBondContact O-N 2.87Å
515R47.9Very low51.3Low160 Ų16090.8 Ų90.860%0.60446%0.457SS*.Hα-helixtrans-60.2-43172.1-95.1-168.7164.898.60.4111.7E511 Y512 L518 S519E511-R515 VanDerWaalsContact O-CB 3.3Å; E511-R515 WeakPolarHBondContact O-CB 3.37Å; E511-R515 PolarHBondContact O-N 2.64Å; E511-R515 IonicContact OE2-CZ 3.95Å; E511-R515 IonicContact OE2-NH1 2.93Å; E511-R515 PolarHBondContact OE2-NH1 3.25Å; Y512-R515 PolarHBondContact O-N 2.93Å; R515-L518 WeakPolarHBondContact O-CB 3.25Å; R515-L518 PolarHBondContact O-N 3.38Å; R515-S519 PolarHBondContact O-N 3.47Å; R515-S519 PolarHBondContact O-OG 3.44Å
516L49.3Very low53.8Low11 Ų1188.1 Ų88.16%0.05844%0.441CS..Hα-helixtrans-74.2-39-178.8-160.565.3000111.2W477 Y512 K513 P514 L518 S519 L520 E847W477-L516 HydrophobicContact CH2-CB 4.45Å; W477-L516 HydrophobicContact CH2-CD2 3.22Å; W477-L516 HydrophobicContact CH2-CG 3.54Å; W477-L516 HydrophobicContact CZ2-CD2 3.12Å; W477-L516 HydrophobicContact CZ2-CG 3.82Å; W477-L516 HydrophobicContact CZ3-CD2 4.43Å; Y512-L516 VanDerWaalsContact O-CB 3.23Å; Y512-L516 WeakPolarHBondContact O-CB 3.45Å; Y512-L516 PolarHBondContact O-N 3.44Å; K513-L516 PolarHBondContact O-N 3.39Å; P514-L516 VanDerWaalsContact C-N 3.3Å; P514-L516 PolarHBondContact O-N 3.46Å; L516-L518 VanDerWaalsContact C-N 3.25Å; L516-L518 PolarHBondContact O-N 2.91Å; L516-S519 PolarHBondContact O-N 2.87Å; L516-L520 HydrophobicContact CG-CD1 4.42Å; L516-L520 WeakPolarHBondContact O-CB 3.37Å; L516-L520 WeakPolarHBondContact O-CG 3.4Å; L516-L520 PolarHBondContact O-N 3.27Å; L516-E847 HydrophobicContact CD1-CG 3.73Å; L516-E847 WeakPolarHBondContact CD1-OE1 3.49Å
517D55.3Low56.6Low76 Ų7688.9 Ų88.941%0.40644%0.436SS..Hα-helixtrans-57.3-40.1168.8-72.3-27.1000110.6K513 P514 L520 E521K513-D517 WeakPolarHBondContact O-CB 3.47Å; K513-D517 PolarHBondContact O-N 3.04Å; P514-D517 PolarHBondContact O-N 3.09Å; D517-L520 PolarHBondContact O-N 3.17Å; D517-E521 VanDerWaalsContact O-CB 3.3Å; D517-E521 WeakPolarHBondContact O-CB 3.41Å; D517-E521 PolarHBondContact O-N 3.35Å
518L55.8Low59.6Low116 Ų11683.4 Ų83.461%0.60741%0.407SS*.Hα-helixtrans-68.6-41177.4-152.584.3000113P514 R515 L516P514-L518 WeakPolarHBondContact O-CB 3.45Å; P514-L518 PolarHBondContact O-N 2.87Å; R515-L518 WeakPolarHBondContact O-CB 3.25Å; R515-L518 PolarHBondContact O-N 3.38Å; L516-L518 VanDerWaalsContact C-N 3.25Å; L516-L518 PolarHBondContact O-N 2.91Å
519S53.7Low62Low60 Ų6080.6 Ų80.642%0.4239%0.389SS..Hα-helixtrans-66.2-40.2173.6-74.10000111.6R515 L516R515-S519 PolarHBondContact O-N 3.47Å; R515-S519 PolarHBondContact O-OG 3.44Å; L516-S519 PolarHBondContact O-N 2.87Å
520L60.4Low64.6Low2 Ų282.1 Ų82.11%0.0139%0.393CS..Hα-helixtrans-74-31179.1-73.9176.2000113.9M469 V473 W477 L516 D517 K522 C523 Y524 A844 V848M469-L520 HydrophobicContact CE-CD2 4.17Å; V473-L520 HydrophobicContact CB-CD2 4.46Å; V473-L520 HydrophobicContact CG1-CD1 3.93Å; V473-L520 HydrophobicContact CG1-CD2 3.55Å; V473-L520 HydrophobicContact CG1-CG 4.42Å; V473-L520 HydrophobicContact CG2-CD2 4.4Å; W477-L520 HydrophobicContact CH2-CD1 3.14Å; W477-L520 HydrophobicContact CH2-CG 4.38Å; W477-L520 HydrophobicContact CZ2-CD1 4.21Å; W477-L520 HydrophobicContact CZ3-CD1 3.33Å; L516-L520 HydrophobicContact CG-CD1 4.42Å; L516-L520 WeakPolarHBondContact O-CB 3.37Å; L516-L520 WeakPolarHBondContact O-CG 3.4Å; L516-L520 PolarHBondContact O-N 3.27Å; D517-L520 PolarHBondContact O-N 3.17Å; L520-K522 PolarHBondContact O-N 3.14Å; L520-K522 VanDerWaalsContact O-N 3.15Å; L520-C523 CarbonylContact O-C 3.55Å; L520-C523 WeakPolarHBondContact O-CA 3.35Å; L520-C523 PolarHBondContact O-N 2.77Å; L520-Y524 HydrophobicContact CB-CD2 4Å; L520-Y524 HydrophobicContact CB-CE2 3.67Å; L520-Y524 HydrophobicContact CD1-CE2 4.27Å; L520-Y524 HydrophobicContact CG-CE2 4.44Å; L520-Y524 WeakPolarHBondContact O-CD2 3.34Å; L520-Y524 PolarHBondContact O-N 2.89Å; L520-A844 HydrophobicContact CD2-CB 4.01Å; L520-V848 HydrophobicContact CD2-CG2 4.47Å
521E62.6Low67.1Low136 Ų13675.4 Ų75.464%0.63636%0.358SS*.Hα-helixtrans-54.4-34.6176.9-167.6-179.118000110.9D517D517-E521 VanDerWaalsContact O-CB 3.3Å; D517-E521 WeakPolarHBondContact O-CB 3.41Å; D517-E521 PolarHBondContact O-N 3.35Å
522K62Low69.6Low186 Ų18670.5 Ų70.581%0.80934%0.335SS*.Hα-helixtrans-70.5-32.6174.5-65.9-178.5-179.31750113.7L520L520-K522 PolarHBondContact O-N 3.14Å; L520-K522 VanDerWaalsContact O-N 3.15Å
523C65.6Low72Confident16 Ų1667.8 Ų67.811%0.10833%0.326CS..Hα-helixtrans-83-25.4-179.8-61.10000112.4H465 M469 L520 N525H465-C523 PolarHBondContact NE2-O 3.45Å; M469-C523 HydrophobicContact CE-CB 3.42Å; M469-C523 VanDerWaalsContact CE-CB 3.42Å; M469-C523 HydrophobicContact SD-CB 3.98Å; L520-C523 CarbonylContact O-C 3.55Å; L520-C523 WeakPolarHBondContact O-CA 3.35Å; L520-C523 PolarHBondContact O-N 2.77Å; C523-N525 PolarHBondContact O-N 3.02Å
524Y75.5Confident74.3Confident75 Ų7564.4 Ų64.429%0.29432%0.316SS..  trans-76.1105176.4-73.7-59.4000111.5M469 T474 L520 T526M469-Y524 HydrophobicContact CB-CE1 4.46Å; T474-Y524 WeakPolarHBondContact OG1-CE1 3.4Å; T474-Y524 PolarHBondContact OG1-OH 3.42Å; L520-Y524 HydrophobicContact CB-CD2 4Å; L520-Y524 HydrophobicContact CB-CE2 3.67Å; L520-Y524 HydrophobicContact CD1-CE2 4.27Å; L520-Y524 HydrophobicContact CG-CE2 4.44Å; L520-Y524 WeakPolarHBondContact O-CD2 3.34Å; L520-Y524 PolarHBondContact O-N 2.89Å; Y524-T526 VanDerWaalsContact C-N 3.33Å; Y524-T526 PolarHBondContact O-N 3.46Å
525N87.7Confident76.6Confident7 Ų761.2 Ų61.24%0.03730%0.296CS..  trans-89.513-179.266.9-18.3000114.7E462 Q466 C523 H527 T528 V529E462-N525 WeakPolarHBondContact CA-ND2 3.31Å; E462-N525 PolarHBondContact O-ND2 3.45Å; E462-N525 WeakPolarHBondContact OE2-CB 3.18Å; E462-N525 PolarHBondContact OE2-ND2 3.39Å; Q466-N525 WeakPolarHBondContact CA-OD1 3.23Å; Q466-N525 VanDerWaalsContact CB-OD1 3.29Å; Q466-N525 WeakPolarHBondContact CB-OD1 3.42Å; C523-N525 PolarHBondContact O-N 3.02Å; N525-H527 PolarHBondContact O-N 3.29Å; N525-T528 PolarHBondContact O-N 2.92Å; N525-V529 PolarHBondContact O-N 3.32Å
526T88.1Confident78.8Confident44 Ų4453.6 Ų53.627%0.2727%0.267SS..Hα-helixtrans-55.5-37.9-176.2-630000112.6Q466 Y524 K530Q466-T526 PolarHBondContact NE2-OG1 3.17Å; Q466-T526 VanDerWaalsContact NE2-OG1 3.17Å; Y524-T526 VanDerWaalsContact C-N 3.33Å; Y524-T526 PolarHBondContact O-N 3.46Å; T526-K530 HydrophobicContact CG2-CD 4.42Å; T526-K530 WeakPolarHBondContact O-CG 3.45Å; T526-K530 PolarHBondContact O-N 2.77Å; T526-K530 VanDerWaalsContact O-N 3.14Å
527H89.2Confident80.8Confident142 Ų14257.4 Ų57.466%0.65729%0.287SS*.Hα-helixtrans-67.9-40.7176.2-68.1-72.8000112.2N525 K530 A531N525-H527 PolarHBondContact O-N 3.29Å; H527-K530 PolarHBondContact O-N 3.39Å; H527-A531 VanDerWaalsContact O-CB 3.3Å; H527-A531 WeakPolarHBondContact O-CB 3.42Å; H527-A531 PolarHBondContact O-N 3.48Å
528T92.6Very high82.6Confident13 Ų1354.7 Ų54.78%0.0827%0.273CS..Hα-helixtrans-65.5-43.9176.9-61.80000111.6N525 K530 A531 I532 S589 V644 K645N525-T528 PolarHBondContact O-N 2.92Å; T528-K530 PolarHBondContact O-N 2.91Å; T528-A531 PolarHBondContact O-N 2.92Å; T528-I532 HydrophobicContact CG2-CD1 3.93Å; T528-I532 HydrophobicContact CG2-CG1 4.48Å; T528-I532 VanDerWaalsContact O-CG1 3.31Å; T528-I532 WeakPolarHBondContact O-CG1 3.41Å; T528-I532 PolarHBondContact O-N 3.48Å; T528-S589 WeakPolarHBondContact CA-OG 3.35Å; T528-S589 PolarHBondContact N-OG 3.49Å; T528-S589 WeakPolarHBondContact OG1-CB 3.39Å; T528-S589 PolarHBondContact OG1-OG 3.13Å; T528-V644 HydrophobicContact CG2-CG1 4.01Å; T528-K645 VanDerWaalsContact CG2-O 3.29Å; T528-K645 WeakPolarHBondContact CG2-O 3.46Å; T528-K645 PolarHBondContact OG1-O 3.42Å; T528-K645 VanDerWaalsContact OG1-O 3.08Å
529V93.8Very high84.4Confident4 Ų449.2 Ų49.22%0.02424%0.244CC..Hα-helixtrans-57.8-50.9175.21740000110.9Y459 E462 N525 A531 I532 E533Y459-V529 HydrophobicContact CE2-CG1 4.14Å; E462-V529 HydrophobicContact CB-CG2 3.83Å; N525-V529 PolarHBondContact O-N 3.32Å; V529-A531 VanDerWaalsContact C-N 3.3Å; V529-A531 PolarHBondContact O-N 3.43Å; V529-I532 PolarHBondContact O-N 3.29Å; V529-E533 WeakPolarHBondContact O-CG 3.45Å; V529-E533 PolarHBondContact O-N 3Å
530K93.4Very high86.1Confident125 Ų12547.7 Ų47.754%0.54323%0.23SC..Hα-helixtrans-62.3-36.7178-73178.8179.7179.40112.7T526 H527 T528 E533 T534T526-K530 HydrophobicContact CG2-CD 4.42Å; T526-K530 WeakPolarHBondContact O-CG 3.45Å; T526-K530 PolarHBondContact O-N 2.77Å; T526-K530 VanDerWaalsContact O-N 3.14Å; H527-K530 PolarHBondContact O-N 3.39Å; T528-K530 PolarHBondContact O-N 2.91Å; K530-E533 PolarHBondContact O-N 3.44Å; K530-T534 WeakPolarHBondContact O-CB 3.19Å; K530-T534 PolarHBondContact O-N 2.87Å; K530-T534 PolarHBondContact O-OG1 2.83Å
531A94.1Very high87.3Confident10 Ų1051.8 Ų51.88%0.08325%0.25CC..Hα-helixtrans-65.7-43.6175.900000111.5H527 T528 V529 T534 N535 F583 I590H527-A531 VanDerWaalsContact O-CB 3.3Å; H527-A531 WeakPolarHBondContact O-CB 3.42Å; H527-A531 PolarHBondContact O-N 3.48Å; T528-A531 PolarHBondContact O-N 2.92Å; V529-A531 VanDerWaalsContact C-N 3.3Å; V529-A531 PolarHBondContact O-N 3.43Å; A531-T534 PolarHBondContact O-N 2.84Å; A531-N535 WeakPolarHBondContact O-CB 3.49Å; A531-N535 PolarHBondContact O-N 3.4Å; A531-F583 HydrophobicContact CB-CE1 3.87Å; A531-F583 HydrophobicContact CB-CZ 4.47Å; A531-F583 WeakPolarHBondContact O-CZ 3.42Å; A531-I590 HydrophobicContact CB-CD1 3.98Å; A531-I590 HydrophobicContact CB-CG1 3.99Å; A531-I590 WeakPolarHBondContact O-CD1 3.39Å
532I96.1Very high88.5Confident0 Ų045.3 Ų45.30%022%0.219CC..Hα-helixtrans-60-47.6174.9-70.6165.5000110.5Y455 Y459 E462 T528 V529 T534 N535 A536 V644 F784Y455-I532 HydrophobicContact CE1-CG2 4.14Å; Y455-I532 HydrophobicContact CE2-CG1 4.49Å; Y455-I532 HydrophobicContact CE2-CG2 4.27Å; Y455-I532 WeakPolarHBondContact OH-CG2 3.12Å; Y455-I532 PolarHBondContact OH-O 2.95Å; Y459-I532 HydrophobicContact CD2-CB 4.23Å; Y459-I532 HydrophobicContact CD2-CG2 3.46Å; Y459-I532 VanDerWaalsContact CD2-CG2 3.46Å; Y459-I532 HydrophobicContact CE2-CG2 4.28Å; Y459-I532 HydrophobicContact CG-CG2 4.08Å; E462-I532 HydrophobicContact CG-CD1 4.02Å; T528-I532 HydrophobicContact CG2-CD1 3.93Å; T528-I532 HydrophobicContact CG2-CG1 4.48Å; T528-I532 VanDerWaalsContact O-CG1 3.31Å; T528-I532 WeakPolarHBondContact O-CG1 3.41Å; T528-I532 PolarHBondContact O-N 3.48Å; V529-I532 PolarHBondContact O-N 3.29Å; I532-T534 VanDerWaalsContact C-N 3.34Å; I532-T534 PolarHBondContact O-N 3.24Å; I532-N535 PolarHBondContact O-N 3.35Å; I532-A536 WeakPolarHBondContact O-CB 3.21Å; I532-A536 PolarHBondContact O-N 3.28Å; I532-V644 HydrophobicContact CD1-CG1 4.08Å; I532-V644 HydrophobicContact CG1-CG1 3.96Å; I532-F784 HydrophobicContact CG2-CE2 4.38Å; I532-F784 HydrophobicContact CG2-CZ 4.02Å
533E95Very high89.7Confident44 Ų4436.7 Ų36.721%0.20618%0.183CC..Hα-helixtrans-62.3-41.4177.9-68.7177.1170.200112.3Y459 V529 K530 A536 N537 K788Y459-E533 HydrophobicContact CE2-CG 3.76Å; Y459-E533 PolarHBondContact OH-OE1 3.31Å; V529-E533 WeakPolarHBondContact O-CG 3.45Å; V529-E533 PolarHBondContact O-N 3Å; K530-E533 PolarHBondContact O-N 3.44Å; E533-A536 PolarHBondContact O-N 3.5Å; E533-N537 PolarHBondContact O-N 3.5Å; E533-N537 PolarHBondContact O-ND2 2.78Å; E533-K788 HydrophobicContact CG-CD 4.42Å; E533-K788 WeakPolarHBondContact OE1-CE 3.43Å; E533-K788 IonicContact OE1-NZ 2.69Å
534T94.5Very high90.2Very high58 Ų5839.6 Ų39.636%0.35620%0.197SC..Hα-helixtrans-62.6-46175.4-56.90000110.7K530 A531 I532 A536 N537 L538 V582 F583K530-T534 WeakPolarHBondContact O-CB 3.19Å; K530-T534 PolarHBondContact O-N 2.87Å; K530-T534 PolarHBondContact O-OG1 2.83Å; A531-T534 PolarHBondContact O-N 2.84Å; I532-T534 VanDerWaalsContact C-N 3.34Å; I532-T534 PolarHBondContact O-N 3.24Å; T534-A536 VanDerWaalsContact C-N 3.33Å; T534-A536 PolarHBondContact O-N 3.42Å; T534-N537 WeakPolarHBondContact O-CB 3.44Å; T534-N537 PolarHBondContact O-N 3.03Å; T534-L538 WeakPolarHBondContact O-CG 3.22Å; T534-L538 PolarHBondContact O-N 3.12Å; T534-V582 HydrophobicContact CG2-CG1 4.11Å; T534-F583 HydrophobicContact CG2-CZ 4.28Å
535N95.5Very high89.9Confident0 Ų037.9 Ų37.90%019%0.192CC..Hα-helixtrans-63.8-38.4178.3-172.144.2000112.6Y455 A531 I532 L538 L539 W575 I579 F583 I590Y455-N535 PolarHBondContact OH-ND2 3.32Å; A531-N535 WeakPolarHBondContact O-CB 3.49Å; A531-N535 PolarHBondContact O-N 3.4Å; I532-N535 PolarHBondContact O-N 3.35Å; N535-L538 WeakPolarHBondContact O-CB 3.31Å; N535-L538 PolarHBondContact O-N 3.47Å; N535-L539 PolarHBondContact O-N 3.04Å; N535-W575 WeakPolarHBondContact ND2-CZ2 3.49Å; N535-W575 PolarHBondContact O-NE1 2.85Å; N535-W575 PolarHBondContact OD1-NE1 3.26Å; N535-I579 VanDerWaalsContact OD1-CD1 3.26Å; N535-I579 WeakPolarHBondContact OD1-CD1 3.37Å; N535-I579 WeakPolarHBondContact OD1-CG1 3.01Å; N535-F583 HydrophobicContact CB-CE2 3.92Å; N535-F583 HydrophobicContact CB-CZ 3.97Å; N535-I590 HydrophobicContact CB-CD1 3.64Å
536A94.1Very high88.4Confident1 Ų144.6 Ų44.61%0.00823%0.228CC..Hα-helixtrans-65.1-40.6173.100000111.9I532 E533 T534 L538 L539 E540 F784I532-A536 WeakPolarHBondContact O-CB 3.21Å; I532-A536 PolarHBondContact O-N 3.28Å; E533-A536 PolarHBondContact O-N 3.5Å; T534-A536 VanDerWaalsContact C-N 3.33Å; T534-A536 PolarHBondContact O-N 3.42Å; A536-L538 VanDerWaalsContact C-N 3.29Å; A536-L538 PolarHBondContact O-N 2.94Å; A536-L539 CarbonylContact O-C 3.57Å; A536-L539 WeakPolarHBondContact O-CA 3.16Å; A536-L539 VanDerWaalsContact O-CB 3.28Å; A536-L539 WeakPolarHBondContact O-CB 3.27Å; A536-L539 PolarHBondContact O-N 3.41Å; A536-E540 WeakPolarHBondContact O-CG 3.5Å; A536-E540 PolarHBondContact O-N 2.99Å; A536-F784 HydrophobicContact CB-CD1 3.37Å; A536-F784 HydrophobicContact CB-CD2 4.43Å; A536-F784 HydrophobicContact CB-CE1 3.22Å; A536-F784 HydrophobicContact CB-CE2 4.32Å; A536-F784 HydrophobicContact CB-CG 4Å; A536-F784 HydrophobicContact CB-CZ 3.74Å
537N92.8Very high86.7Confident90 Ų9049.9 Ų49.948%0.48124%0.243SC..Hα-helixtrans-61.5-37.9174.1-66.8-27.2000111.9E533 T534 L539 E540 E541E533-N537 PolarHBondContact O-N 3.5Å; E533-N537 PolarHBondContact O-ND2 2.78Å; T534-N537 WeakPolarHBondContact O-CB 3.44Å; T534-N537 PolarHBondContact O-N 3.03Å; N537-L539 VanDerWaalsContact C-N 3.3Å; N537-L539 PolarHBondContact O-N 3.37Å; N537-E540 PolarHBondContact O-N 2.85Å; N537-E541 PolarHBondContact O-N 3.31Å
538L93.1Very high84.5Confident20 Ų2049.1 Ų49.111%0.10525%0.248CC..Hα-helixtrans-62.1-39.7171.8-61.5174.8000111.3T534 N535 A536 E541 V542 K578 V582 F583T534-L538 WeakPolarHBondContact O-CG 3.22Å; T534-L538 PolarHBondContact O-N 3.12Å; N535-L538 WeakPolarHBondContact O-CB 3.31Å; N535-L538 PolarHBondContact O-N 3.47Å; A536-L538 VanDerWaalsContact C-N 3.29Å; A536-L538 PolarHBondContact O-N 2.94Å; L538-E541 WeakPolarHBondContact O-CB 3.49Å; L538-E541 PolarHBondContact O-N 2.8Å; L538-V542 WeakPolarHBondContact O-CG2 3.36Å; L538-V542 PolarHBondContact O-N 3.19Å; L538-V542 VanDerWaalsContact O-N 3.1Å; L538-K578 HydrophobicContact CD1-CB 4.27Å; L538-K578 HydrophobicContact CD2-CB 4.34Å; L538-K578 HydrophobicContact CD2-CD 4.49Å; L538-V582 HydrophobicContact CD1-CB 4.17Å; L538-V582 HydrophobicContact CD1-CG1 4.48Å; L538-V582 HydrophobicContact CD1-CG2 3.94Å; L538-V582 HydrophobicContact CD2-CG2 4.25Å; L538-F583 HydrophobicContact CD1-CE2 4.31Å
539L92.6Very high82Confident1 Ų154.4 Ų54.41%0.00527%0.272CS..Hα-helixtrans-64.4-38.8174.5-178.763.9000112F452 N535 A536 N537 E541 V542 C543 W575 F658 V659 N662F452-L539 HydrophobicContact CD2-CD2 4.35Å; F452-L539 HydrophobicContact CE2-CD2 4.1Å; N535-L539 PolarHBondContact O-N 3.04Å; A536-L539 CarbonylContact O-C 3.57Å; A536-L539 WeakPolarHBondContact O-CA 3.16Å; A536-L539 VanDerWaalsContact O-CB 3.28Å; A536-L539 WeakPolarHBondContact O-CB 3.27Å; A536-L539 PolarHBondContact O-N 3.41Å; N537-L539 VanDerWaalsContact C-N 3.3Å; N537-L539 PolarHBondContact O-N 3.37Å; L539-E541 VanDerWaalsContact C-N 3.31Å; L539-E541 PolarHBondContact O-N 2.81Å; L539-V542 HydrophobicContact CD1-CG2 4.34Å; L539-V542 WeakPolarHBondContact O-CG2 3.15Å; L539-C543 WeakPolarHBondContact O-CB 3.35Å; L539-C543 PolarHBondContact O-N 3.01Å; L539-C543 PolarHBondContact O-SG 3.07Å; L539-W575 HydrophobicContact CB-CD2 4.35Å; L539-W575 HydrophobicContact CB-CZ2 3.85Å; L539-W575 HydrophobicContact CD1-CD2 3.85Å; L539-W575 HydrophobicContact CD1-CE3 3.88Å; L539-W575 HydrophobicContact CD1-CG 4.41Å; L539-W575 HydrophobicContact CD1-CH2 4.29Å; L539-W575 HydrophobicContact CD1-CZ2 4.23Å; L539-W575 HydrophobicContact CD1-CZ3 4.11Å; L539-W575 HydrophobicContact CD2-CH2 4.36Å; L539-W575 HydrophobicContact CD2-CZ2 4.33Å; L539-W575 HydrophobicContact CG-CZ2 4.36Å; L539-F658 HydrophobicContact CD1-CB 4.23Å; L539-F658 HydrophobicContact CD2-CD1 3.97Å; L539-V659 HydrophobicContact CD1-CG2 3.85Å; L539-N662 HydrophobicContact CD2-CB 3.93Å; L539-N662 HydrophobicContact CG-CB 4.41Å
540E88.9Confident79Confident27 Ų2760.7 Ų60.713%0.12631%0.305CS..Hα-helixtrans-64.4-38.2174.7-63.6-167.616200111.5A536 N537 C543 L544 T782A536-E540 WeakPolarHBondContact O-CG 3.5Å; A536-E540 PolarHBondContact O-N 2.99Å; N537-E540 PolarHBondContact O-N 2.85Å; E540-C543 WeakPolarHBondContact O-CB 3.42Å; E540-C543 PolarHBondContact O-N 3Å; E540-L544 PolarHBondContact O-N 2.81Å; E540-T782 HydrophobicContact CG-CG2 3.96Å; E540-T782 PolarHBondContact OE1-OG1 3.41Å
541E86.6Confident76.4Confident89 Ų8960.7 Ų60.742%0.41632%0.316SS..Hα-helixtrans-64.6-47.2177.6-164.6-164.8134.900112.2N537 L538 L539 C543 L544 L545 K578N537-E541 PolarHBondContact O-N 3.31Å; L538-E541 WeakPolarHBondContact O-CB 3.49Å; L538-E541 PolarHBondContact O-N 2.8Å; L539-E541 VanDerWaalsContact C-N 3.31Å; L539-E541 PolarHBondContact O-N 2.81Å; E541-C543 VanDerWaalsContact C-N 3.31Å; E541-C543 PolarHBondContact O-N 2.91Å; E541-L544 WeakPolarHBondContact O-CB 3.29Å; E541-L544 PolarHBondContact O-N 3.28Å; E541-L545 WeakPolarHBondContact O-CG 3.39Å; E541-L545 PolarHBondContact O-N 2.87Å; E541-K578 VanDerWaalsContact CD-NZ 3.3Å; E541-K578 IonicContact OE1-NZ 3.5Å; E541-K578 PolarHBondContact OE1-NZ 2.83Å; E541-K578 IonicContact OE2-NZ 2.64Å
542V88.2Confident73.3Confident0 Ų065.9 Ų65.90%034%0.342CS..Hα-helixtrans-67.1-29.9173.4-92.80000113.4L538 L539 L544 L545 R571 D574 W575L538-V542 WeakPolarHBondContact O-CG2 3.36Å; L538-V542 PolarHBondContact O-N 3.19Å; L538-V542 VanDerWaalsContact O-N 3.1Å; L539-V542 HydrophobicContact CD1-CG2 4.34Å; L539-V542 WeakPolarHBondContact O-CG2 3.15Å; V542-L544 VanDerWaalsContact C-N 3.27Å; V542-L544 PolarHBondContact O-N 3.27Å; V542-L545 HydrophobicContact CG1-CD1 4.31Å; V542-L545 PolarHBondContact O-N 2.99Å; V542-R571 WeakPolarHBondContact CG1-O 3.39Å; V542-D574 HydrophobicContact CG1-CB 3.75Å; V542-D574 WeakPolarHBondContact CG1-OD2 3.35Å; V542-W575 HydrophobicContact CB-CB 4.44Å; V542-W575 HydrophobicContact CG1-CB 4.24Å; V542-W575 HydrophobicContact CG2-CB 3.59Å; V542-W575 HydrophobicContact CG2-CG 3.78Å
543C86.2Confident70.3Confident5 Ų571.4 Ų71.43%0.03438%0.38CS..Hα-helixtrans-64.3-32.9171.3-72.40000112.2L539 E540 E541 L663 L780L539-C543 WeakPolarHBondContact O-CB 3.35Å; L539-C543 PolarHBondContact O-N 3.01Å; L539-C543 PolarHBondContact O-SG 3.07Å; E540-C543 WeakPolarHBondContact O-CB 3.42Å; E540-C543 PolarHBondContact O-N 3Å; E541-C543 VanDerWaalsContact C-N 3.31Å; E541-C543 PolarHBondContact O-N 2.91Å; C543-L663 HydrophobicContact CB-CD2 3.83Å; C543-L663 HydrophobicContact CB-CG 4.18Å; C543-L780 HydrophobicContact CB-CD1 3.84Å
544L75.8Confident67.2Low77 Ų7774.2 Ų74.240%0.40341%0.405SS..Hα-helixtrans-72.7-28.2175.6-83168.3000113.4E540 E541 V542 N546 L780E540-L544 PolarHBondContact O-N 2.81Å; E541-L544 WeakPolarHBondContact O-CB 3.29Å; E541-L544 PolarHBondContact O-N 3.28Å; V542-L544 VanDerWaalsContact C-N 3.27Å; V542-L544 PolarHBondContact O-N 3.27Å; L544-N546 PolarHBondContact O-N 3.27Å; L544-L780 HydrophobicContact CB-CD1 4.22Å; L544-L780 HydrophobicContact CD2-CD1 3.61Å; L544-L780 HydrophobicContact CD2-CD2 3.86Å; L544-L780 HydrophobicContact CD2-CG 3.39Å; L544-L780 HydrophobicContact CG-CD1 3.43Å; L544-L780 VanDerWaalsContact CG-CD1 3.43Å; L544-L780 HydrophobicContact CG-CG 3.72Å
545L70.6Confident64.1Low39 Ų3979.7 Ų79.720%0.20443%0.428CS..  trans-75.693-176.8-69.5170.4000110.4E541 V542 R547E541-L545 WeakPolarHBondContact O-CG 3.39Å; E541-L545 PolarHBondContact O-N 2.87Å; V542-L545 HydrophobicContact CG1-CD1 4.31Å; V542-L545 PolarHBondContact O-N 2.99Å; L545-R547 PolarHBondContact O-N 2.8Å
546N55.7Low60.9Low147 Ų14788.6 Ų88.679%0.78647%0.467SS*.  trans-73.541.2163-83.6-10.8000111.9L544 V548L544-N546 PolarHBondContact O-N 3.27Å; N546-V548 PolarHBondContact O-N 2.94Å
547R52Low57.9Low155 Ų15596.2 Ų96.259%0.58551%0.507SS*.  trans-75.397.6170.2-70.3-172.2-167.1163.66.6107.2L545 H549L545-R547 PolarHBondContact O-N 2.8Å; R547-H549 PolarHBondContact O-N 2.95Å
548V42Very low54.8Low126 Ų12696.4 Ų96.476%0.76452%0.516SS*.  trans-63.187.9153.9-175.40000104.8N546 N550N546-V548 PolarHBondContact O-N 2.94Å; V548-N550 VanDerWaalsContact C-N 3.32Å; V548-N550 PolarHBondContact O-N 2.89Å
549H40.4Very low51.8Low125 Ų125100.4 Ų100.458%0.57955%0.545SS*.  trans-61.3109.6160.2-92-73000104.6R547 V551R547-H549 PolarHBondContact O-N 2.95Å; H549-V551 VanDerWaalsContact C-N 3.29Å; H549-V551 PolarHBondContact O-N 3.04Å
550N32.1Very low48.6Very low135 Ų135106.8 Ų106.872%0.72258%0.584SS**  trans-47.1105.8161.8-82.7-27.8000105.4V548 N552V548-N550 VanDerWaalsContact C-N 3.32Å; V548-N550 PolarHBondContact O-N 2.89Å; N550-N552 PolarHBondContact O-N 3.24Å
551V38.2Very low45.7Very low126 Ų126111.3 Ų111.376%0.76461%0.614SS**  trans-59.9103.4165.9-1720000102.7H549 S553H549-V551 VanDerWaalsContact C-N 3.29Å; H549-V551 PolarHBondContact O-N 3.04Å; V551-S553 PolarHBondContact O-N 3.42Å
552N29.3Very low42.9Very low118 Ų118111.7 Ų111.763%0.63163%0.626SS**  trans-51.4118.7176.5-77.3-19.9000106N550 S554 M555N550-N552 PolarHBondContact O-N 3.24Å; N552-S554 PolarHBondContact O-N 2.7Å; N552-M555 PolarHBondContact O-N 2.97Å
553S32.3Very low40.3Very low116 Ų116118.3 Ų118.381%0.81167%0.672SS**THydrogen-bonded Turntrans-60.79.2179.1-164.50000113.3V551V551-S553 PolarHBondContact O-N 3.42Å
554S30.5Very low37.7Very low103 Ų103122.7 Ų122.772%0.7270%0.703SS**THydrogen-bonded Turntrans-97.7-8.4177.863.90000114.6N552 K556N552-S554 PolarHBondContact O-N 2.7Å; S554-K556 PolarHBondContact O-N 3.03Å
555M29.3Very low36Very low173 Ų173125.5 Ų125.585%0.85272%0.718SS**  trans-8862.7160.6-89.8179.880.300109.4N552 L557N552-M555 PolarHBondContact O-N 2.97Å; M555-L557 PolarHBondContact O-N 3.48Å
556K28.6Very low35.2Very low188 Ų188131.3 Ų131.382%0.81774%0.744SS**  trans-60.1107.7158.2-84.8-177.1175.8-179.80106.7S554 S558S554-K556 PolarHBondContact O-N 3.03Å; K556-S558 PolarHBondContact O-N 2.92Å; K556-S558 VanDerWaalsContact O-N 3.15Å
557L31.5Very low35.9Very low160 Ų160132.5 Ų132.584%0.83875%0.75SS**  trans-52.5115.7178.5-165.968.2000109.2M555 S559M555-L557 PolarHBondContact O-N 3.48Å; L557-S559 PolarHBondContact O-N 3.48Å; L557-S559 VanDerWaalsContact O-N 3.07Å
558S26.8Very low37.1Very low95 Ų95126.3 Ų126.366%0.66473%0.728SS**  trans-57.7110.9164.351.40000107.7K556 T560K556-S558 PolarHBondContact O-N 2.92Å; K556-S558 VanDerWaalsContact O-N 3.15Å; S558-T560 PolarHBondContact O-N 2.77Å
559S29.9Very low39Very low103 Ų103122.1 Ų122.172%0.7270%0.701SS**SBendtrans-52.3105.917050.30000109.7L557L557-S559 PolarHBondContact O-N 3.48Å; L557-S559 VanDerWaalsContact O-N 3.07Å
560T26.8Very low41.1Very low136 Ų136119.2 Ų119.283%0.83469%0.694SS**  trans145.964.3158.547.10000111.8S558S558-T560 PolarHBondContact O-N 2.77Å
561V27.9Very low43.7Very low122 Ų122114.5 Ų114.574%0.73967%0.666SS**SBendtrans-137129.9158-175.80000108.7
562S27.1Very low46.2Very low97 Ų97108.8 Ų108.868%0.67863%0.631SS**  trans-45.6145.4-168.6-48.20000116.6S564S562-S564 VanDerWaalsContact C-N 3.26Å; S562-S564 PolarHBondContact O-N 3.17Å
563S34.4Very low49.1Very low138 Ų138106.3 Ų106.397%0.96562%0.617SS**THydrogen-bonded Turntrans-64.336.7-167.7-38.30000118.3
564S31.2Very low51.8Low97 Ų97103.3 Ų103.368%0.67859%0.592SS**THydrogen-bonded Turntrans-136.4-1.3-178.265.80000117S562 Q566S562-S564 VanDerWaalsContact C-N 3.26Å; S562-S564 PolarHBondContact O-N 3.17Å; S564-Q566 PolarHBondContact O-N 3.39Å
565N40Very low54.8Low137 Ų13798.4 Ų98.473%0.73356%0.558SS**  trans-93.689.4177.8-71.6-6.5000110.2L567N565-L567 PolarHBondContact O-N 3.07Å; N565-L567 VanDerWaalsContact O-N 3.1Å
566Q53.6Low57.7Low161 Ų16190.3 Ų90.375%0.75252%0.518SS*.PPolyproline II helixtrans-54.9116.9160.7-75.7179-7.200107.6S564 L568S564-Q566 PolarHBondContact O-N 3.39Å; Q566-L568 PolarHBondContact O-N 3.09Å; Q566-L568 VanDerWaalsContact O-N 3.17Å
567L69.6Low60.6Low172 Ų17285.4 Ų85.490%0.90150%0.5SS*.PPolyproline II helixtrans-59.5118.9177.6-16689.1000108.4N565N565-L567 PolarHBondContact O-N 3.07Å; N565-L567 VanDerWaalsContact O-N 3.1Å
568L77.7Confident63.4Low24 Ų2479.1 Ų79.113%0.12647%0.467CS..PPolyproline II helixtrans-57.3152.5176.5-74.1165.9000111.3Q566 E572 L573 I576 D640Q566-L568 PolarHBondContact O-N 3.09Å; Q566-L568 VanDerWaalsContact O-N 3.17Å; L568-E572 WeakPolarHBondContact CD2-OE2 3.3Å; L568-L573 HydrophobicContact CB-CD2 4.17Å; L568-L573 HydrophobicContact CB-CG 4.25Å; L568-L573 HydrophobicContact CD1-CD2 3.82Å; L568-I576 HydrophobicContact CD1-CD1 4.09Å; L568-D640 HydrophobicContact CD1-CB 3.75Å
569D81Confident66.5Low38 Ų3874.7 Ų74.720%0.20344%0.435CS..PPolyproline II helixtrans-59.7136.2171.2-170.6-49.6000109.4R571 E572 L573D569-R571 PolarHBondContact O-N 3.13Å; D569-R571 VanDerWaalsContact OD1-CB 3.28Å; D569-R571 WeakPolarHBondContact OD1-CB 3.18Å; D569-R571 WeakPolarHBondContact OD1-CG 3.3Å; D569-R571 IonicContact OD1-CZ 3.93Å; D569-R571 PolarHBondContact OD1-N 3.31Å; D569-R571 IonicContact OD1-NE 3.32Å; D569-R571 PolarHBondContact OD1-NE 3.03Å; D569-R571 IonicContact OD2-CZ 2.89Å; D569-R571 VanDerWaalsContact OD2-CZ 3.31Å; D569-R571 IonicContact OD2-NE 2.89Å; D569-R571 PolarHBondContact OD2-NE 3.3Å; D569-R571 VanDerWaalsContact OD2-NE 3.15Å; D569-R571 IonicContact OD2-NH2 2.73Å; D569-R571 PolarHBondContact OD2-NH2 3.2Å; D569-E572 HydrophobicContact CB-CB 4.13Å; D569-E572 HydrophobicContact CB-CG 3.87Å; D569-E572 PolarHBondContact N-OE2 3.23Å; D569-E572 VanDerWaalsContact N-OE2 3.09Å; D569-E572 WeakPolarHBondContact O-CA 3.37Å; D569-E572 VanDerWaalsContact O-CB 3.28Å; D569-E572 WeakPolarHBondContact O-CB 3.24Å; D569-E572 PolarHBondContact O-N 3.45Å; D569-L573 PolarHBondContact O-N 3.07Å; D569-L573 VanDerWaalsContact O-N 3.12Å
570P84.5Confident69.3Low64 Ų6474.3 Ų74.342%0.41642%0.421SS..Hα-helixtrans-52.1-30.6174.2-28.235.1000114.2L573 D574P570-L573 PolarHBondContact O-N 3.33Å; P570-D574 PolarHBondContact O-N 3.44Å; P570-D574 VanDerWaalsContact O-N 3.12Å
571R88.1Confident72.2Confident36 Ų3671.7 Ų71.714%0.13641%0.408CS..Hα-helixtrans-72.2-31.6175.7-60.4172.8-67.3165.64.3112.4V542 D569 W575 V659V542-R571 WeakPolarHBondContact CG1-O 3.39Å; D569-R571 PolarHBondContact O-N 3.13Å; D569-R571 VanDerWaalsContact OD1-CB 3.28Å; D569-R571 WeakPolarHBondContact OD1-CB 3.18Å; D569-R571 WeakPolarHBondContact OD1-CG 3.3Å; D569-R571 IonicContact OD1-CZ 3.93Å; D569-R571 PolarHBondContact OD1-N 3.31Å; D569-R571 IonicContact OD1-NE 3.32Å; D569-R571 PolarHBondContact OD1-NE 3.03Å; D569-R571 IonicContact OD2-CZ 2.89Å; D569-R571 VanDerWaalsContact OD2-CZ 3.31Å; D569-R571 IonicContact OD2-NE 2.89Å; D569-R571 PolarHBondContact OD2-NE 3.3Å; D569-R571 VanDerWaalsContact OD2-NE 3.15Å; D569-R571 IonicContact OD2-NH2 2.73Å; D569-R571 PolarHBondContact OD2-NH2 3.2Å; R571-W575 WeakPolarHBondContact O-CB 3.4Å; R571-W575 PolarHBondContact O-N 3.37Å; R571-V659 HydrophobicContact CB-CG1 4.42Å; R571-V659 HydrophobicContact CB-CG2 4.23Å
572E91.1Very high75.1Confident6 Ų669 Ų693%0.02839%0.391CS..Hα-helixtrans-69.6-36.4173.4-74.9168.617300111L568 D569 W575 I576 V655 G657 F658 V659L568-E572 WeakPolarHBondContact CD2-OE2 3.3Å; D569-E572 HydrophobicContact CB-CB 4.13Å; D569-E572 HydrophobicContact CB-CG 3.87Å; D569-E572 PolarHBondContact N-OE2 3.23Å; D569-E572 VanDerWaalsContact N-OE2 3.09Å; D569-E572 WeakPolarHBondContact O-CA 3.37Å; D569-E572 VanDerWaalsContact O-CB 3.28Å; D569-E572 WeakPolarHBondContact O-CB 3.24Å; D569-E572 PolarHBondContact O-N 3.45Å; E572-W575 WeakPolarHBondContact O-CB 3.44Å; E572-W575 PolarHBondContact O-N 3.02Å; E572-I576 WeakPolarHBondContact O-CG1 3.39Å; E572-I576 PolarHBondContact O-N 3.02Å; E572-V655 HydrophobicContact CB-CG1 3.68Å; E572-V655 HydrophobicContact CG-CG1 3.95Å; E572-G657 VanDerWaalsContact OE1-CA 3.29Å; E572-G657 WeakPolarHBondContact OE1-CA 3.3Å; E572-G657 PolarHBondContact OE1-N 3.4Å; E572-F658 PolarHBondContact OE1-N 3.39Å; E572-V659 HydrophobicContact CG-CB 4.21Å; E572-V659 HydrophobicContact CG-CG2 3.62Å
573L89.2Confident78.1Confident66 Ų6665.7 Ų65.735%0.34637%0.365SS..Hα-helixtrans-64-46172.4-64.2173.8000111.9L568 D569 P570 W575 I576 D577 P638L568-L573 HydrophobicContact CB-CD2 4.17Å; L568-L573 HydrophobicContact CB-CG 4.25Å; L568-L573 HydrophobicContact CD1-CD2 3.82Å; D569-L573 PolarHBondContact O-N 3.07Å; D569-L573 VanDerWaalsContact O-N 3.12Å; P570-L573 PolarHBondContact O-N 3.33Å; L573-W575 VanDerWaalsContact C-N 3.25Å; L573-W575 PolarHBondContact O-N 3.17Å; L573-I576 PolarHBondContact O-N 3.39Å; L573-D577 PolarHBondContact O-N 3.08Å; L573-P638 HydrophobicContact CD2-CB 4.46Å
574D88.8Confident80.3Confident53 Ų5364 Ų6428%0.28335%0.349SS..Hα-helixtrans-59.8-38.1174.1-174.852.5000111.4V542 P570 D577 K578V542-D574 HydrophobicContact CG1-CB 3.75Å; V542-D574 WeakPolarHBondContact CG1-OD2 3.35Å; P570-D574 PolarHBondContact O-N 3.44Å; P570-D574 VanDerWaalsContact O-N 3.12Å; D574-D577 PolarHBondContact O-N 3.31Å; D574-K578 WeakPolarHBondContact O-CG 3.4Å; D574-K578 PolarHBondContact O-N 3.36Å; D574-K578 WeakPolarHBondContact OD2-CE 3.46Å; D574-K578 IonicContact OD2-NZ 3.35Å; D574-K578 PolarHBondContact OD2-NZ 2.89Å; D574-K578 VanDerWaalsContact OD2-NZ 3.16Å
575W92.9Very high82.5Confident0 Ų063.4 Ų63.40%034%0.341CS..Hα-helixtrans-63.8-46.2176-172.536.1000112.1N535 L539 V542 R571 E572 L573 D577 K578 I579 F642 V655 F658N535-W575 WeakPolarHBondContact ND2-CZ2 3.49Å; N535-W575 PolarHBondContact O-NE1 2.85Å; N535-W575 PolarHBondContact OD1-NE1 3.26Å; L539-W575 HydrophobicContact CB-CD2 4.35Å; L539-W575 HydrophobicContact CB-CZ2 3.85Å; L539-W575 HydrophobicContact CD1-CD2 3.85Å; L539-W575 HydrophobicContact CD1-CE3 3.88Å; L539-W575 HydrophobicContact CD1-CG 4.41Å; L539-W575 HydrophobicContact CD1-CH2 4.29Å; L539-W575 HydrophobicContact CD1-CZ2 4.23Å; L539-W575 HydrophobicContact CD1-CZ3 4.11Å; L539-W575 HydrophobicContact CD2-CH2 4.36Å; L539-W575 HydrophobicContact CD2-CZ2 4.33Å; L539-W575 HydrophobicContact CG-CZ2 4.36Å; V542-W575 HydrophobicContact CB-CB 4.44Å; V542-W575 HydrophobicContact CG1-CB 4.24Å; V542-W575 HydrophobicContact CG2-CB 3.59Å; V542-W575 HydrophobicContact CG2-CG 3.78Å; R571-W575 WeakPolarHBondContact O-CB 3.4Å; R571-W575 PolarHBondContact O-N 3.37Å; E572-W575 WeakPolarHBondContact O-CB 3.44Å; E572-W575 PolarHBondContact O-N 3.02Å; L573-W575 VanDerWaalsContact C-N 3.25Å; L573-W575 PolarHBondContact O-N 3.17Å; W575-D577 VanDerWaalsContact C-N 3.27Å; W575-D577 PolarHBondContact O-N 3.45Å; W575-K578 WeakPolarHBondContact O-CB 3.4Å; W575-K578 PolarHBondContact O-N 3.04Å; W575-K578 VanDerWaalsContact O-N 3.16Å; W575-I579 HydrophobicContact CD2-CD1 4.05Å; W575-I579 HydrophobicContact CG-CD1 4.38Å; W575-I579 HydrophobicContact CZ2-CD1 4.09Å; W575-I579 WeakPolarHBondContact O-CG1 3.06Å; W575-I579 PolarHBondContact O-N 3.31Å; W575-F642 AromaticContact CH2-CE1 3.63Å; W575-F642 HydrophobicContact CH2-CE1 3.63Å; W575-F642 AromaticContact CH2-CZ 3.96Å; W575-F642 HydrophobicContact CH2-CZ 3.96Å; W575-F642 HydrophobicContact CZ2-CE1 4.5Å; W575-F642 HydrophobicContact CZ3-CE1 4Å; W575-V655 HydrophobicContact CE3-CG1 3.81Å; W575-V655 HydrophobicContact CZ3-CG1 3.96Å; W575-V655 HydrophobicContact CZ3-CG2 4.36Å; W575-F658 HydrophobicContact CE3-CB 4.36Å; W575-F658 HydrophobicContact CH2-CB 4.28Å; W575-F658 AromaticContact CH2-CD1 3.31Å; W575-F658 HydrophobicContact CH2-CD1 3.31Å; W575-F658 AromaticContact CH2-CE1 3.74Å; W575-F658 HydrophobicContact CH2-CE1 3.74Å; W575-F658 AromaticContact CH2-CG 3.9Å; W575-F658 HydrophobicContact CH2-CG 3.9Å; W575-F658 HydrophobicContact CZ2-CD1 4.43Å; W575-F658 HydrophobicContact CZ3-CB 3.64Å; W575-F658 AromaticContact CZ3-CD1 3.54Å; W575-F658 HydrophobicContact CZ3-CD1 3.54Å; W575-F658 HydrophobicContact CZ3-CD2 4.4Å; W575-F658 HydrophobicContact CZ3-CE1 4.28Å; W575-F658 AromaticContact CZ3-CG 3.6Å; W575-F658 HydrophobicContact CZ3-CG 3.6Å
576I91Very high83.8Confident3 Ų362.5 Ų62.52%0.01534%0.343CS..Hα-helixtrans-57.4-42.7175.5-73.3158.8000110.7L568 E572 L573 I579 K580 L592 C639 V655L568-I576 HydrophobicContact CD1-CD1 4.09Å; E572-I576 WeakPolarHBondContact O-CG1 3.39Å; E572-I576 PolarHBondContact O-N 3.02Å; L573-I576 PolarHBondContact O-N 3.39Å; I576-I579 WeakPolarHBondContact O-CB 3.49Å; I576-I579 PolarHBondContact O-N 2.86Å; I576-K580 WeakPolarHBondContact O-CG 3.44Å; I576-K580 PolarHBondContact O-N 3.45Å; I576-L592 HydrophobicContact CG2-CD1 4.42Å; I576-L592 HydrophobicContact CG2-CD2 4.1Å; I576-C639 WeakPolarHBondContact CD1-O 3.28Å; I576-V655 HydrophobicContact CD1-CB 4.15Å; I576-V655 HydrophobicContact CD1-CG1 3.93Å; I576-V655 HydrophobicContact CD1-CG2 4Å; I576-V655 HydrophobicContact CG1-CB 4.47Å; I576-V655 HydrophobicContact CG1-CG1 4.14Å; I576-V655 HydrophobicContact CG1-CG2 3.89Å
577D89.6Confident84.6Confident85 Ų8561.9 Ų61.946%0.45535%0.345SS..Hα-helixtrans-68.4-35179-71-21.5000112.3L573 D574 W575 K580 S581L573-D577 PolarHBondContact O-N 3.08Å; D574-D577 PolarHBondContact O-N 3.31Å; W575-D577 VanDerWaalsContact C-N 3.27Å; W575-D577 PolarHBondContact O-N 3.45Å; D577-K580 WeakPolarHBondContact O-CB 3.34Å; D577-K580 PolarHBondContact O-N 2.98Å; D577-K580 IonicContact OD1-NZ 2.97Å; D577-K580 PolarHBondContact OD1-NZ 3.03Å; D577-S581 PolarHBondContact O-N 3.25Å; D577-S581 VanDerWaalsContact O-N 3.08Å
578K90.8Very high85.3Confident29 Ų2954.5 Ų54.513%0.12631%0.308CS..Hα-helixtrans-63.8-42.6169.1-71.1178.2-169.8177.80112L538 E541 D574 W575 K580 S581 V582L538-K578 HydrophobicContact CD1-CB 4.27Å; L538-K578 HydrophobicContact CD2-CB 4.34Å; L538-K578 HydrophobicContact CD2-CD 4.49Å; E541-K578 VanDerWaalsContact CD-NZ 3.3Å; E541-K578 IonicContact OE1-NZ 3.5Å; E541-K578 PolarHBondContact OE1-NZ 2.83Å; E541-K578 IonicContact OE2-NZ 2.64Å; D574-K578 WeakPolarHBondContact O-CG 3.4Å; D574-K578 PolarHBondContact O-N 3.36Å; D574-K578 WeakPolarHBondContact OD2-CE 3.46Å; D574-K578 IonicContact OD2-NZ 3.35Å; D574-K578 PolarHBondContact OD2-NZ 2.89Å; D574-K578 VanDerWaalsContact OD2-NZ 3.16Å; W575-K578 WeakPolarHBondContact O-CB 3.4Å; W575-K578 PolarHBondContact O-N 3.04Å; W575-K578 VanDerWaalsContact O-N 3.16Å; K578-K580 VanDerWaalsContact C-N 3.34Å; K578-K580 PolarHBondContact O-N 2.65Å; K578-S581 PolarHBondContact O-N 2.94Å; K578-S581 VanDerWaalsContact O-N 3.09Å; K578-S581 PolarHBondContact O-OG 3.42Å; K578-V582 WeakPolarHBondContact O-CG2 3.31Å; K578-V582 PolarHBondContact O-N 2.88Å
579I91.1Very high85.8Confident2 Ų254.2 Ų54.21%0.0131%0.307CS..Hα-helixtrans-57.4-47.1174.2-67.9171.7000110.4N535 W575 I576 S581 V582 F583 I590 L592 F642N535-I579 VanDerWaalsContact OD1-CD1 3.26Å; N535-I579 WeakPolarHBondContact OD1-CD1 3.37Å; N535-I579 WeakPolarHBondContact OD1-CG1 3.01Å; W575-I579 HydrophobicContact CD2-CD1 4.05Å; W575-I579 HydrophobicContact CG-CD1 4.38Å; W575-I579 HydrophobicContact CZ2-CD1 4.09Å; W575-I579 WeakPolarHBondContact O-CG1 3.06Å; W575-I579 PolarHBondContact O-N 3.31Å; I576-I579 WeakPolarHBondContact O-CB 3.49Å; I576-I579 PolarHBondContact O-N 2.86Å; I579-S581 PolarHBondContact O-N 3.22Å; I579-V582 PolarHBondContact O-N 3.33Å; I579-F583 HydrophobicContact CB-CD2 4.44Å; I579-F583 HydrophobicContact CG2-CD2 3.9Å; I579-F583 PolarHBondContact O-N 3.38Å; I579-I590 HydrophobicContact CG2-CG2 4.39Å; I579-L592 HydrophobicContact CB-CD2 4.49Å; I579-L592 HydrophobicContact CG2-CD1 4.24Å; I579-L592 HydrophobicContact CG2-CD2 3.89Å; I579-L592 HydrophobicContact CG2-CG 3.9Å; I579-F642 HydrophobicContact CD1-CD1 4.43Å
580K88.8Confident86.3Confident95 Ų9552.4 Ų52.441%0.41330%0.298SS..Hα-helixtrans-53.6-43.2174.8-70.9173.5-166.5149.90111.6I576 D577 K578 T584 L592I576-K580 WeakPolarHBondContact O-CG 3.44Å; I576-K580 PolarHBondContact O-N 3.45Å; D577-K580 WeakPolarHBondContact O-CB 3.34Å; D577-K580 PolarHBondContact O-N 2.98Å; D577-K580 IonicContact OD1-NZ 2.97Å; D577-K580 PolarHBondContact OD1-NZ 3.03Å; K578-K580 VanDerWaalsContact C-N 3.34Å; K578-K580 PolarHBondContact O-N 2.65Å; K580-T584 WeakPolarHBondContact O-CG2 3.21Å; K580-L592 HydrophobicContact CB-CD1 4.01Å; K580-L592 HydrophobicContact CD-CD1 3.98Å; K580-L592 HydrophobicContact CG-CD1 2.98Å; K580-L592 HydrophobicContact CG-CG 4.46Å
581S87.8Confident86.5Confident80 Ų8051.5 Ų51.556%0.55929%0.293SS*.Hα-helixtrans-74.4-36.2-174.975.50000113.6D577 K578 I579 T584D577-S581 PolarHBondContact O-N 3.25Å; D577-S581 VanDerWaalsContact O-N 3.08Å; K578-S581 PolarHBondContact O-N 2.94Å; K578-S581 VanDerWaalsContact O-N 3.09Å; K578-S581 PolarHBondContact O-OG 3.42Å; I579-S581 PolarHBondContact O-N 3.22Å; S581-T584 WeakPolarHBondContact O-CG2 3.13Å
582V89.2Confident86.5Confident65 Ų6551.7 Ų51.739%0.39430%0.296SS..Hα-helixtrans-86.7-41.6-174.4173.50000111.7T534 L538 K578 I579 T584T534-V582 HydrophobicContact CG2-CG1 4.11Å; L538-V582 HydrophobicContact CD1-CB 4.17Å; L538-V582 HydrophobicContact CD1-CG1 4.48Å; L538-V582 HydrophobicContact CD1-CG2 3.94Å; L538-V582 HydrophobicContact CD2-CG2 4.25Å; K578-V582 WeakPolarHBondContact O-CG2 3.31Å; K578-V582 PolarHBondContact O-N 2.88Å; I579-V582 PolarHBondContact O-N 3.33Å; V582-T584 PolarHBondContact O-N 3.12Å
583F90.2Very high86.1Confident28 Ų2854.5 Ų54.512%0.12331%0.307CS..  trans-99.562.7-175.2-60-72.9000112A531 T534 N535 L538 I579 C588 I590A531-F583 HydrophobicContact CB-CE1 3.87Å; A531-F583 HydrophobicContact CB-CZ 4.47Å; A531-F583 WeakPolarHBondContact O-CZ 3.42Å; T534-F583 HydrophobicContact CG2-CZ 4.28Å; N535-F583 HydrophobicContact CB-CE2 3.92Å; N535-F583 HydrophobicContact CB-CZ 3.97Å; L538-F583 HydrophobicContact CD1-CE2 4.31Å; I579-F583 HydrophobicContact CB-CD2 4.44Å; I579-F583 HydrophobicContact CG2-CD2 3.9Å; I579-F583 PolarHBondContact O-N 3.38Å; F583-C588 HydrophobicContact CB-CB 4.26Å; F583-C588 HydrophobicContact CD1-CB 4.44Å; F583-I590 WeakPolarHBondContact CB-O 3.24Å; F583-I590 HydrophobicContact CD1-CB 4.05Å; F583-I590 HydrophobicContact CD2-CB 4.2Å; F583-I590 HydrophobicContact CD2-CG2 4.1Å; F583-I590 HydrophobicContact CE1-CB 4.19Å; F583-I590 HydrophobicContact CE1-CD1 4.3Å; F583-I590 HydrophobicContact CE1-CG1 4.47Å; F583-I590 HydrophobicContact CE2-CB 4.32Å; F583-I590 HydrophobicContact CE2-CD1 4.29Å; F583-I590 HydrophobicContact CE2-CG2 4.28Å; F583-I590 HydrophobicContact CG-CB 4.05Å; F583-I590 HydrophobicContact CG-CG2 4.36Å; F583-I590 HydrophobicContact CZ-CB 4.32Å; F583-I590 HydrophobicContact CZ-CD1 3.92Å
584T79.7Confident85.5Confident102 Ų10255 Ų5563%0.62631%0.31SS*.  trans-92.4-20.4-17650.80000114.6K580 S581 V582K580-T584 WeakPolarHBondContact O-CG2 3.21Å; S581-T584 WeakPolarHBondContact O-CG2 3.13Å; V582-T584 PolarHBondContact O-N 3.12Å
585T77Confident83.9Confident85 Ų8556.2 Ų56.252%0.52132%0.317SS..SBendtrans-75.2143-175.655.60000112.3N587 C588T585-N587 PolarHBondContact O-N 3.49Å; T585-N587 VanDerWaalsContact O-N 3.08Å; T585-C588 WeakPolarHBondContact O-CB 3.31Å; T585-C588 PolarHBondContact O-N 3.39Å; T585-C588 PolarHBondContact O-SG 3.24Å; T585-C588 VanDerWaalsContact O-SG 3.36Å; T585-C588 PolarHBondContact OG1-SG 3.3Å
586P68Low82Confident119 Ų11963.5 Ų63.577%0.77335%0.35SS*.THydrogen-bonded Turntrans-60.8-24.7-175.121.2-32000113.9
587N71Confident80Confident147 Ų14769.8 Ų69.879%0.78638%0.383SS*.THydrogen-bonded Turntrans-100.117.9178.5-67.3-2.2000113.3T585 S589T585-N587 PolarHBondContact O-N 3.49Å; T585-N587 VanDerWaalsContact O-N 3.08Å; N587-S589 PolarHBondContact O-N 3.47Å
588C83.3Confident78Confident18 Ų1870.3 Ų70.312%0.12239%0.389CS..  trans-59.2140.3172.6-80.40000111.2F583 T585 I590 K645F583-C588 HydrophobicContact CB-CB 4.26Å; F583-C588 HydrophobicContact CD1-CB 4.44Å; T585-C588 WeakPolarHBondContact O-CB 3.31Å; T585-C588 PolarHBondContact O-N 3.39Å; T585-C588 PolarHBondContact O-SG 3.24Å; T585-C588 VanDerWaalsContact O-SG 3.36Å; T585-C588 PolarHBondContact OG1-SG 3.3Å; C588-I590 WeakPolarHBondContact CB-O 3.4Å; C588-I590 PolarHBondContact O-N 2.98Å; C588-K645 PolarHBondContact O-NZ 2.84Å; C588-K645 VanDerWaalsContact O-NZ 3.13Å
589S88.3Confident75.1Confident17 Ų1779 Ų7912%0.11942%0.421CS..SBendtrans-69.5-18.7170.4-58.90000112.8T528 N587 V644 K645T528-S589 WeakPolarHBondContact CA-OG 3.35Å; T528-S589 PolarHBondContact N-OG 3.49Å; T528-S589 WeakPolarHBondContact OG1-CB 3.39Å; T528-S589 PolarHBondContact OG1-OG 3.13Å; N587-S589 PolarHBondContact O-N 3.47Å; S589-V644 CarbonylContact O-C 3.48Å; S589-V644 WeakPolarHBondContact O-CA 3.4Å; S589-K645 PolarHBondContact O-N 3.31Å
590I91.8Very high72.1Confident0 Ų083.4 Ų83.40%045%0.452CS..EExtended strand (participates in β ladder)trans-121.1132.9176.5-58.9-176000108.3A531 N535 I579 F583 C588 F642 I643 V644A531-I590 HydrophobicContact CB-CD1 3.98Å; A531-I590 HydrophobicContact CB-CG1 3.99Å; A531-I590 WeakPolarHBondContact O-CD1 3.39Å; N535-I590 HydrophobicContact CB-CD1 3.64Å; I579-I590 HydrophobicContact CG2-CG2 4.39Å; F583-I590 WeakPolarHBondContact CB-O 3.24Å; F583-I590 HydrophobicContact CD1-CB 4.05Å; F583-I590 HydrophobicContact CD2-CB 4.2Å; F583-I590 HydrophobicContact CD2-CG2 4.1Å; F583-I590 HydrophobicContact CE1-CB 4.19Å; F583-I590 HydrophobicContact CE1-CD1 4.3Å; F583-I590 HydrophobicContact CE1-CG1 4.47Å; F583-I590 HydrophobicContact CE2-CB 4.32Å; F583-I590 HydrophobicContact CE2-CD1 4.29Å; F583-I590 HydrophobicContact CE2-CG2 4.28Å; F583-I590 HydrophobicContact CG-CB 4.05Å; F583-I590 HydrophobicContact CG-CG2 4.36Å; F583-I590 HydrophobicContact CZ-CB 4.32Å; F583-I590 HydrophobicContact CZ-CD1 3.92Å; C588-I590 WeakPolarHBondContact CB-O 3.4Å; C588-I590 PolarHBondContact O-N 2.98Å; I590-F642 HydrophobicContact CG2-CD2 4.18Å; I590-I643 VanDerWaalsContact CA-O 3.3Å; I590-I643 WeakPolarHBondContact CA-O 3.44Å; I590-V644 HydrophobicContact CD1-CG2 4.29Å; I590-V644 HydrophobicContact CG1-CB 4.49Å; I590-V644 HydrophobicContact CG1-CG1 4.19Å; I590-V644 HydrophobicContact CG1-CG2 4.06Å
591C89.4Confident69.4Low46 Ų4684.4 Ų84.431%0.31147%0.468SS..EExtended strand (participates in β ladder)trans-143161.6172.564.90000110F642 I643C591-F642 CarbonylContact O-C 3.52Å; C591-F642 WeakPolarHBondContact O-CA 3.41Å; C591-I643 PolarHBondContact N-O 3.43Å; C591-I643 PolarHBondContact O-N 3.49Å
592L88.2Confident66.5Low40 Ų4091.9 Ų91.921%0.20948%0.484CS..EExtended strand (participates in β ladder)trans-81.7151.3174.8-71.6161.5000111I576 I579 K580 D594 F642I576-L592 HydrophobicContact CG2-CD1 4.42Å; I576-L592 HydrophobicContact CG2-CD2 4.1Å; I579-L592 HydrophobicContact CB-CD2 4.49Å; I579-L592 HydrophobicContact CG2-CD1 4.24Å; I579-L592 HydrophobicContact CG2-CD2 3.89Å; I579-L592 HydrophobicContact CG2-CG 3.9Å; K580-L592 HydrophobicContact CB-CD1 4.01Å; K580-L592 HydrophobicContact CD-CD1 3.98Å; K580-L592 HydrophobicContact CG-CD1 2.98Å; K580-L592 HydrophobicContact CG-CG 4.46Å; L592-D594 PolarHBondContact O-N 3.1Å; L592-F642 HydrophobicContact CD2-CB 4.04Å
593Y82.3Confident63.5Low64 Ų6497.1 Ų97.125%0.25151%0.506SS..  trans-73.5115.2178.3-168-89000109.7D595 C639 R641 I643 T652Y593-D595 VanDerWaalsContact CE1-OD1 3.32Å; Y593-D595 WeakPolarHBondContact CE1-OD1 3.39Å; Y593-C639 PolarHBondContact O-SG 3.23Å; Y593-R641 WeakPolarHBondContact CB-O 3.43Å; Y593-R641 HydrophobicContact CG-CB 4.21Å; Y593-R641 PolarHBondContact N-O 3.23Å; Y593-I643 HydrophobicContact CD2-CD1 3.78Å; Y593-I643 HydrophobicContact CD2-CG1 3.99Å; Y593-I643 HydrophobicContact CE2-CD1 4.43Å; Y593-T652 HydrophobicContact CD2-CG2 3.65Å; Y593-T652 HydrophobicContact CE2-CG2 4.14Å; Y593-T652 HydrophobicContact CG-CG2 4.44Å
594D75.6Confident60.7Low76 Ų76102.2 Ų102.241%0.40654%0.539SS..  trans-105113.6174.4-169.4-10.4000110.2L592 Q596 I597L592-D594 PolarHBondContact O-N 3.1Å; D594-Q596 PolarHBondContact O-N 3.5Å; D594-Q596 VanDerWaalsContact O-N 3.16Å; D594-Q596 WeakPolarHBondContact OD1-CB 3.08Å; D594-Q596 PolarHBondContact OD1-N 3.29Å; D594-I597 HydrophobicContact CB-CD1 3.93Å; D594-I597 HydrophobicContact CB-CG1 4.08Å; D594-I597 PolarHBondContact O-N 3.24Å
595D56.6Low58.3Low80 Ų80104.8 Ų104.843%0.42855%0.549SS..Hα-helixtrans-56.8-26.8176.1-77.1-35.2000112.7Y593 I597Y593-D595 VanDerWaalsContact CE1-OD1 3.32Å; Y593-D595 WeakPolarHBondContact CE1-OD1 3.39Å; D595-I597 VanDerWaalsContact C-N 3.35Å; D595-I597 PolarHBondContact O-N 3.43Å
596Q51.4Low56.2Low152 Ų152106.4 Ų106.471%0.7156%0.561SS**Hα-helixtrans-74-24.3-175.7-60.2-171.724.300113.2D594D594-Q596 PolarHBondContact O-N 3.5Å; D594-Q596 VanDerWaalsContact O-N 3.16Å; D594-Q596 WeakPolarHBondContact OD1-CB 3.08Å; D594-Q596 PolarHBondContact OD1-N 3.29Å
597I50.4Low54.2Low136 Ų136110.2 Ų110.270%0.69757%0.566SS**Hα-helixtrans-76.9-27.2-178.3-59.7176.5000111.3D594 D595D594-I597 HydrophobicContact CB-CD1 3.93Å; D594-I597 HydrophobicContact CB-CG1 4.08Å; D594-I597 PolarHBondContact O-N 3.24Å; D595-I597 VanDerWaalsContact C-N 3.35Å; D595-I597 PolarHBondContact O-N 3.43Å
598V46.2Very low52.2Low95 Ų95113.3 Ų113.358%0.57657%0.572SS**Hα-helixtrans-88.5-21.8-175.2-175.90000112.8
599R31.5Very low49.5Very low213 Ų213120.7 Ų120.780%0.80461%0.605SS**SBendtrans-949.4-171.3-69.7-170.1-178.9-162.62.2116.9
600S27.9Very low46.5Very low94 Ų94125.9 Ų125.966%0.65764%0.636SS**  trans-128.192.5175.981.60000116
601P31.5Very low43.4Very low115 Ų115134.2 Ų134.275%0.74767%0.674SS**  trans-99.593137.73.416000107M603P601-M603 PolarHBondContact O-N 3.02Å; P601-M603 VanDerWaalsContact O-N 3.08Å
602R28.2Very low40.3Very low238 Ų238138 Ų13890%0.89870%0.702SS**  trans-61.1115.7173-169.7176.2-172.4174.51.5108T604R602-T604 PolarHBondContact O-N 3.19Å
603M25.3Very low37.3Very low175 Ų175140.9 Ų140.986%0.86272%0.721SS**  trans-42.2112.7178.8-59.4-174.574.900112.8P601P601-M603 PolarHBondContact O-N 3.02Å; P601-M603 VanDerWaalsContact O-N 3.08Å
604T30.7Very low34.7Very low134 Ų134141.6 Ų141.682%0.82274%0.735SS**  trans-12499.2153.456.20000107.9R602R602-T604 PolarHBondContact O-N 3.19Å
605N30.5Very low32.2Very low157 Ų157143.7 Ų143.784%0.8476%0.755SS**  trans38.4120.4165.1-71-15.4000120.5K607N605-K607 PolarHBondContact O-N 3.42Å
606P33.1Very low30.7Very low119 Ų119146.9 Ų146.977%0.77377%0.767SS**  trans-91.6105-17435.3-29.6000111.8
607K25.1Very low29.4Very low199 Ų199146.1 Ų146.187%0.86577%0.772SS**  trans-154.390.6156.4-69-165.9-178.4176.70110.3N605N605-K607 PolarHBondContact O-N 3.42Å
608K28.1Very low28.1Very low211 Ų211146.1 Ų146.192%0.91777%0.772SS**SBendtrans163.3114.4142.7-89.3165.8-176-172.90111.2
609H27.7Very low26.9Very low174 Ų174148.9 Ų148.981%0.80678%0.784SS**  trans21.8106.1158.3-85.9-75.8000121Q611H609-Q611 PolarHBondContact O-N 3.13Å
610T25.6Very low26.7Very low125 Ų125147.5 Ų147.577%0.76778%0.784SS**  22.193.1125.355.30000118
611Q26.4Very low26.4Very low175 Ų175152 Ų15282%0.81880%0.795SS**  trans-135.3101148.4-78.7-175.4-7.100108.5H609 T613H609-Q611 PolarHBondContact O-N 3.13Å; Q611-T613 PolarHBondContact O-N 3.34Å
612S23.3Very low26.1Very low127 Ų127152.2 Ų152.289%0.88879%0.794SS**  trans-70.6100.8167.241.70000108.6
613T25.5Very low26Very low99 Ų99149 Ų14961%0.60779%0.792SS**  trans-132.2131.3171.638.80000109.5Q611Q611-T613 PolarHBondContact O-N 3.34Å
614S27.6Very low26Very low79 Ų79145.7 Ų145.755%0.55279%0.786SS**  trans21.6121.6138.1165.60000116.2H616S614-H616 PolarHBondContact O-CD2 3.34Å; S614-H616 PolarHBondContact O-N 3.15Å
615C24.4Very low25.6Very low121 Ų121149.3 Ų149.382%0.81879%0.791SS**  trans-50.386.8176.150.30000113.4V617C615-V617 PolarHBondContact O-N 3.31Å
616H24.1Very low25.5Very low146 Ų146147.5 Ų147.568%0.67679%0.79SS**  trans-80.5112.8169.8-84.3-69.4000110.4S614 I618S614-H616 PolarHBondContact O-CD2 3.34Å; S614-H616 PolarHBondContact O-N 3.15Å; H616-I618 PolarHBondContact O-N 3.35Å; H616-I618 VanDerWaalsContact O-N 3.07Å
617V23.9Very low25.1Very low137 Ų137147 Ų14783%0.8379%0.79SS**  trans-67.898163179.50000107.4C615 N619C615-V617 PolarHBondContact O-N 3.31Å; V617-N619 PolarHBondContact O-N 2.92Å
618I24.3Very low25.4Very low135 Ų135144 Ų14469%0.69279%0.79SS**  trans-76.6112.6176.8-64.2174.1000109H616 K620H616-I618 PolarHBondContact O-N 3.35Å; H616-I618 VanDerWaalsContact O-N 3.07Å; I618-K620 HydrophobicContact CG2-CG 4.42Å; I618-K620 PolarHBondContact O-N 3.45Å
619N21.2Very low25.3Very low154 Ų154138.1 Ų138.182%0.82478%0.776SS**  trans-59.3111.9164.2-77.5-21.2000109.9V617V617-N619 PolarHBondContact O-N 2.92Å
620K26.9Very low25.3Very low184 Ų184136.6 Ų136.680%0.878%0.78SS**  trans-112.698.1163.4-92.7-176176.4177.70110.4I618 T622I618-K620 HydrophobicContact CG2-CG 4.42Å; I618-K620 PolarHBondContact O-N 3.45Å; K620-T622 PolarHBondContact O-N 2.96Å
621Q21.7Very low25.5Very low189 Ų189140.5 Ų140.588%0.88379%0.786SS**  trans-71101.5149.8-71.9175-4.800107.8
622T25.3Very low25.6Very low119 Ų119141.8 Ų141.873%0.7379%0.789SS**  trans-150.4115.514941.90000110.1K620 S624K620-T622 PolarHBondContact O-N 2.96Å; T622-S624 PolarHBondContact O-N 3.16Å
623I24.8Very low25.6Very low170 Ų170142.7 Ų142.787%0.87279%0.789SS**  trans-69.8114.1173.2-64.6160.1000108.1
624S26.2Very low25.7Very low105 Ų105143.7 Ų143.773%0.73480%0.799SS**  trans-155.3111.4153.459.50000110T622 S626T622-S624 PolarHBondContact O-N 3.16Å; S624-S626 PolarHBondContact O-N 3.44Å
625K22.9Very low26Very low210 Ų210145.2 Ų145.291%0.91381%0.81SS**  trans-56.3124.8171.3-63.8166.1177.1174.40109.8
626S28.3Very low26.9Very low119 Ų119148.9 Ų148.983%0.83281%0.812SS**  trans-138.5136.4156.1580000110.4S624S624-S626 PolarHBondContact O-N 3.44Å
627S24.4Very low28.1Very low110 Ų110145.6 Ų145.677%0.76981%0.805SS**  trans-66.1157.9-165.4-65.20000115.1S629S627-S629 PolarHBondContact O-N 2.8Å
628P31.1Very low29.7Very low134 Ų134143.3 Ų143.387%0.8779%0.793SS**  trans-83.1112.4-17232.1-31.1000111.4
629S26.8Very low32Very low89 Ų89138.3 Ų138.362%0.62277%0.77SS**  trans-124.1103.8163.953.60000110.7S627 F631S627-S629 PolarHBondContact O-N 2.8Å; S629-F631 PolarHBondContact O-N 3.09Å
630T26.7Very low35Very low142 Ų142134.2 Ų134.287%0.87175%0.748SS**  trans3777.5145.857.90000117.3
631F29.7Very low38.1Very low207 Ų207127.9 Ų127.991%0.90872%0.719SS**  trans-88.5120.4161.4-86.7-87.2000110.8S629S629-F631 PolarHBondContact O-N 3.09Å
632K27.7Very low41.6Very low202 Ų202118.9 Ų118.988%0.87868%0.677SS**  trans-48.8136.3176.2-68.9170.5175.7176.70111.5C634K632-C634 PolarHBondContact O-N 3.08Å
633T25.3Very low44.9Very low145 Ų145114.8 Ų114.889%0.8965%0.65SS**  trans-62.789.6177.650.80000111S635T633-S635 PolarHBondContact O-N 3.29Å
634C26.2Very low48.2Very low120 Ų120106.7 Ų106.781%0.81161%0.609SS**  trans-77.3120.7165.4-152.50000107.8K632 K636K632-C634 PolarHBondContact O-N 3.08Å; C634-K636 PolarHBondContact O-N 3.45Å; C634-K636 VanDerWaalsContact O-N 3.08Å
635S34.1Very low51.3Low111 Ų111105.8 Ų105.878%0.77659%0.591SS**  trans-40.1108.7176.5156.90000111.8T633 S637T633-S635 PolarHBondContact O-N 3.29Å; S635-S637 PolarHBondContact O-N 3.36Å
636K43.2Very low54.6Low198 Ų19896.3 Ų96.386%0.86155%0.551SS**  trans-67.2100.9172.6-69.4178178.9177.30108.4C634C634-K636 PolarHBondContact O-N 3.45Å; C634-K636 VanDerWaalsContact O-N 3.08Å
637S48.8Very low57.5Low77 Ų7792.3 Ų92.354%0.53852%0.517SS..PPolyproline II helixtrans-57136.7157.840.70000108S635 C639S635-S637 PolarHBondContact O-N 3.36Å; S637-C639 PolarHBondContact O-N 2.92Å
638P57.6Low60.5Low90 Ų9088.2 Ų88.258%0.58449%0.492SS*.PPolyproline II helixtrans-61.3122.5172.324.3-30.6000108.5L573 D640L573-P638 HydrophobicContact CD2-CB 4.46Å; P638-D640 PolarHBondContact O-N 3.33Å
639C72.6Confident63.1Low29 Ų2983.3 Ų83.320%0.19647%0.466CS..PPolyproline II helixtrans-60117.4171.1171.10000109.2I576 Y593 S637 R641I576-C639 WeakPolarHBondContact CD1-O 3.28Å; Y593-C639 PolarHBondContact O-SG 3.23Å; S637-C639 PolarHBondContact O-N 2.92Å; C639-R641 PolarHBondContact SG-O 3.38Å
640D86.1Confident66.2Low68 Ų6882.4 Ų82.436%0.36446%0.46SS..  trans-101.112.3-176.468.1-38.5000113L568 P638 V655L568-D640 HydrophobicContact CD1-CB 3.75Å; P638-D640 PolarHBondContact O-N 3.33Å; D640-V655 WeakPolarHBondContact O-CB 3.34Å; D640-V655 WeakPolarHBondContact O-CG2 3.26Å; D640-V655 PolarHBondContact O-N 3.29Å
641R91.9Very high69.3Low51 Ų5175.7 Ų75.719%0.19242%0.419CS..EExtended strand (participates in β ladder)trans-139.9147.5-170.6-6217381.283.6-0.9112Y593 C639 T652 Y653Y593-R641 WeakPolarHBondContact CB-O 3.43Å; Y593-R641 HydrophobicContact CG-CB 4.21Å; Y593-R641 PolarHBondContact N-O 3.23Å; C639-R641 PolarHBondContact SG-O 3.38Å; R641-T652 HydrophobicContact CB-CG2 4.03Å; R641-T652 VanDerWaalsContact NE-CG2 3.29Å; R641-Y653 WeakPolarHBondContact CA-O 3.44Å; R641-Y653 WeakPolarHBondContact CB-O 3.47Å
642F94Very high72.4Confident0 Ų067.3 Ų67.30%038%0.384CS..EExtended strand (participates in β ladder)trans-129.5152.5170.566.8-87.2000110.6Y455 W575 I579 I590 C591 L592 V644 Y653 V655 F658Y455-F642 HydrophobicContact CD2-CE2 4.08Å; Y455-F642 HydrophobicContact CD2-CZ 4.07Å; Y455-F642 AromaticContact CE2-CE2 3.82Å; Y455-F642 HydrophobicContact CE2-CE2 3.82Å; Y455-F642 HydrophobicContact CE2-CZ 4.05Å; W575-F642 AromaticContact CH2-CE1 3.63Å; W575-F642 HydrophobicContact CH2-CE1 3.63Å; W575-F642 AromaticContact CH2-CZ 3.96Å; W575-F642 HydrophobicContact CH2-CZ 3.96Å; W575-F642 HydrophobicContact CZ2-CE1 4.5Å; W575-F642 HydrophobicContact CZ3-CE1 4Å; I579-F642 HydrophobicContact CD1-CD1 4.43Å; I590-F642 HydrophobicContact CG2-CD2 4.18Å; C591-F642 CarbonylContact O-C 3.52Å; C591-F642 WeakPolarHBondContact O-CA 3.41Å; L592-F642 HydrophobicContact CD2-CB 4.04Å; F642-V644 HydrophobicContact CD2-CG2 3.82Å; F642-V644 HydrophobicContact CE2-CG2 3.65Å; F642-Y653 HydrophobicContact CD2-CD2 4.15Å; F642-Y653 AromaticContact CE2-CD2 3.62Å; F642-Y653 HydrophobicContact CE2-CD2 3.62Å; F642-Y653 HydrophobicContact CE2-CE2 4.47Å; F642-Y653 AromaticContact CE2-CG 3.98Å; F642-Y653 HydrophobicContact CE2-CG 3.98Å; F642-Y653 HydrophobicContact CZ-CD2 4.07Å; F642-Y653 AromaticContact CZ-CG 3.93Å; F642-Y653 HydrophobicContact CZ-CG 3.93Å; F642-Y653 PolarHBondContact N-O 2.99Å; F642-Y653 VanDerWaalsContact N-O 3.1Å; F642-Y653 PolarHBondContact O-N 3.43Å; F642-V655 HydrophobicContact CD1-CG2 3.73Å; F642-V655 HydrophobicContact CE1-CG2 4.12Å; F642-F658 HydrophobicContact CE1-CE1 4.27Å; F642-F658 HydrophobicContact CE1-CE2 4.49Å; F642-F658 HydrophobicContact CE1-CZ 4.08Å; F642-F658 AromaticContact CZ-CE1 3.99Å; F642-F658 HydrophobicContact CZ-CE1 3.99Å; F642-F658 AromaticContact CZ-CZ 3.89Å; F642-F658 HydrophobicContact CZ-CZ 3.89Å
643I94.1Very high75.7Confident33 Ų3357.7 Ų57.717%0.16934%0.342CS..EExtended strand (participates in β ladder)trans-109.1134.6179.7-58.1171000108.1I590 C591 Y593 V651 T652I590-I643 VanDerWaalsContact CA-O 3.3Å; I590-I643 WeakPolarHBondContact CA-O 3.44Å; C591-I643 PolarHBondContact N-O 3.43Å; C591-I643 PolarHBondContact O-N 3.49Å; Y593-I643 HydrophobicContact CD2-CD1 3.78Å; Y593-I643 HydrophobicContact CD2-CG1 3.99Å; Y593-I643 HydrophobicContact CE2-CD1 4.43Å; I643-V651 WeakPolarHBondContact CA-O 3.16Å; I643-T652 HydrophobicContact CG1-CG2 4.24Å
644V95.3Very high79Confident0 Ų051.6 Ų51.60%031%0.306CS..EExtended strand (participates in β ladder)trans-114.8128.3168.1-173.70000108.8Y455 T528 I532 S589 I590 F642 H646 S650 V651 Y653Y455-V644 HydrophobicContact CE2-CG2 4.19Å; T528-V644 HydrophobicContact CG2-CG1 4.01Å; I532-V644 HydrophobicContact CD1-CG1 4.08Å; I532-V644 HydrophobicContact CG1-CG1 3.96Å; S589-V644 CarbonylContact O-C 3.48Å; S589-V644 WeakPolarHBondContact O-CA 3.4Å; I590-V644 HydrophobicContact CD1-CG2 4.29Å; I590-V644 HydrophobicContact CG1-CB 4.49Å; I590-V644 HydrophobicContact CG1-CG1 4.19Å; I590-V644 HydrophobicContact CG1-CG2 4.06Å; F642-V644 HydrophobicContact CD2-CG2 3.82Å; F642-V644 HydrophobicContact CE2-CG2 3.65Å; V644-H646 WeakPolarHBondContact CB-NE2 3.25Å; V644-H646 WeakPolarHBondContact CG1-NE2 3.47Å; V644-H646 PolarHBondContact O-CD2 2.9Å; V644-H646 PolarHBondContact O-N 3.49Å; V644-H646 VanDerWaalsContact O-N 3.13Å; V644-S650 WeakPolarHBondContact O-CA 3.3Å; V644-V651 PolarHBondContact N-O 2.97Å; V644-V651 PolarHBondContact O-N 2.74Å; V644-Y653 HydrophobicContact CB-CD2 4.48Å; V644-Y653 HydrophobicContact CB-CE2 3.89Å; V644-Y653 HydrophobicContact CG2-CD2 3.82Å; V644-Y653 HydrophobicContact CG2-CE2 3.57Å
645K91.7Very high82.2Confident86 Ų8645.9 Ų45.937%0.37427%0.267SS..EExtended strand (participates in β ladder)trans-82.182.2174.9-62.9176.1-176161.30109.2T528 C588 S589T528-K645 VanDerWaalsContact CG2-O 3.29Å; T528-K645 WeakPolarHBondContact CG2-O 3.46Å; T528-K645 PolarHBondContact OG1-O 3.42Å; T528-K645 VanDerWaalsContact OG1-O 3.08Å; C588-K645 PolarHBondContact O-NZ 2.84Å; C588-K645 VanDerWaalsContact O-NZ 3.13Å; S589-K645 PolarHBondContact O-N 3.31Å
646H92.5Very high84.8Confident12 Ų1242.7 Ų42.76%0.05625%0.245CC..EExtended strand (participates in β ladder)trans-75.3162.2175.9-69.9-78.9000112.1F444 E462 V644 G648 G649 Y653F444-H646 HydrophobicContact CE2-CB 3.58Å; F444-H646 AromaticContact CE2-CG 3.92Å; F444-H646 HydrophobicContact CZ-CB 3.72Å; E462-H646 WeakPolarHBondContact CG-ND1 3.34Å; E462-H646 WeakPolarHBondContact OE1-CA 3.43Å; E462-H646 WeakPolarHBondContact OE1-CB 2.94Å; E462-H646 IonicContact OE1-CG 3.27Å; E462-H646 VanDerWaalsContact OE1-CG 3.32Å; E462-H646 IonicContact OE1-ND1 3.63Å; E462-H646 PolarHBondContact OE1-ND1 3.01Å; V644-H646 WeakPolarHBondContact CB-NE2 3.25Å; V644-H646 WeakPolarHBondContact CG1-NE2 3.47Å; V644-H646 PolarHBondContact O-CD2 2.9Å; V644-H646 PolarHBondContact O-N 3.49Å; V644-H646 VanDerWaalsContact O-N 3.13Å; H646-G648 PolarHBondContact O-N 2.76Å; H646-G649 VanDerWaalsContact CB-O 3.3Å; H646-G649 WeakPolarHBondContact CB-O 3.31Å; H646-G649 PolarHBondContact N-O 2.9Å; H646-G649 PolarHBondContact O-N 3.31Å; H646-G649 VanDerWaalsContact O-N 3.15Å; H646-Y653 AromaticContact NE2-CE2 3.58Å; H646-Y653 AromaticContact NE2-CZ 3.6Å; H646-Y653 PolarHBondContact NE2-OH 3.43Å
647Y88.7Confident86.9Confident35 Ų3534 Ų3414%0.13721%0.212CC..THydrogen-bonded Turntrans-59.2-35.5173.281.3-96.4000111.2F444 N461 E462 H465 G649 N839F444-Y647 HydrophobicContact CD2-CE1 4.2Å; N461-Y647 HydrophobicContact CB-CE1 4.02Å; E462-Y647 WeakPolarHBondContact OE1-CD1 3.38Å; E462-Y647 PolarHBondContact OE1-N 2.65Å; H465-Y647 HydrophobicContact CB-CD1 3.75Å; H465-Y647 HydrophobicContact CB-CE1 3.79Å; H465-Y647 HydrophobicContact CB-CG 4.23Å; H465-Y647 AromaticContact CD2-CG 3.82Å; H465-Y647 AromaticContact CG-CD1 3.83Å; H465-Y647 AromaticContact CG-CG 3.79Å; Y647-G649 PolarHBondContact O-N 3.48Å; Y647-N839 VanDerWaalsContact CD2-O 3.25Å; Y647-N839 WeakPolarHBondContact CD2-O 3.48Å; Y647-N839 VanDerWaalsContact O-CB 3.31Å; Y647-N839 WeakPolarHBondContact O-CB 3.49Å
648G86.1Confident89.1Confident23 Ų2330.3 Ų30.324%0.23719%0.186CC..THydrogen-bonded Turntrans-79.73.6-179.600000114.9F444 H646F444-G648 WeakPolarHBondContact CE1-O 3.46Å; H646-G648 PolarHBondContact O-N 2.76Å
649G86.8Confident90.6Very high31 Ų3126 Ų2632%0.3216%0.158SC..EExtended strand (participates in β ladder)trans118.2166-175.400000112.9H646 Y647 V651H646-G649 VanDerWaalsContact CB-O 3.3Å; H646-G649 WeakPolarHBondContact CB-O 3.31Å; H646-G649 PolarHBondContact N-O 2.9Å; H646-G649 PolarHBondContact O-N 3.31Å; H646-G649 VanDerWaalsContact O-N 3.15Å; Y647-G649 PolarHBondContact O-N 3.48Å; G649-V651 PolarHBondContact O-N 3.28Å
650S90.8Very high91.2Very high71 Ų7127.1 Ų27.150%0.49716%0.164SC..EExtended strand (participates in β ladder)trans-74.1127179.6-64.80000111V644V644-S650 WeakPolarHBondContact O-CA 3.3Å
651V93Very high91.4Very high1 Ų126.8 Ų26.81%0.00616%0.159CC..EExtended strand (participates in β ladder)trans-113.3130.9179.6-176.10000109.2F444 C446 N450 I643 V644 G649 Y653F444-V651 HydrophobicContact CE1-CG2 4.2Å; F444-V651 HydrophobicContact CZ-CG2 3.66Å; C446-V651 HydrophobicContact CB-CG2 4.2Å; N450-V651 HydrophobicContact CB-CG1 3.99Å; N450-V651 WeakPolarHBondContact ND2-CG1 3.39Å; I643-V651 WeakPolarHBondContact CA-O 3.16Å; V644-V651 PolarHBondContact N-O 2.97Å; V644-V651 PolarHBondContact O-N 2.74Å; G649-V651 PolarHBondContact O-N 3.28Å; V651-Y653 HydrophobicContact CB-CE2 3.83Å; V651-Y653 HydrophobicContact CG1-CD2 4.35Å; V651-Y653 HydrophobicContact CG1-CE1 3.95Å; V651-Y653 HydrophobicContact CG1-CE2 3.77Å
652T95Very high91.3Very high30 Ų3024.4 Ų24.418%0.18415%0.15CC..EExtended strand (participates in β ladder)trans-97.8122.5175.7-53.20000109.9N450 Y593 R641 I643N450-T652 WeakPolarHBondContact CB-O 3.37Å; N450-T652 PolarHBondContact ND2-O 3.31Å; Y593-T652 HydrophobicContact CD2-CG2 3.65Å; Y593-T652 HydrophobicContact CE2-CG2 4.14Å; Y593-T652 HydrophobicContact CG-CG2 4.44Å; R641-T652 HydrophobicContact CB-CG2 4.03Å; R641-T652 VanDerWaalsContact NE-CG2 3.29Å; I643-T652 HydrophobicContact CG1-CG2 4.24Å
653Y96.1Very high90.9Very high0 Ų026.2 Ų26.20%016%0.16CC..EExtended strand (participates in β ladder)trans-104.1137.6179.2-62.2-84.2000111.1N450 Q454 Y455 N458 R641 F642 V644 H646 V651 F658N450-Y653 HydrophobicContact CB-CD1 3.55Å; N450-Y653 HydrophobicContact CB-CE1 3.81Å; N450-Y653 HydrophobicContact CB-CG 4.33Å; N450-Y653 WeakPolarHBondContact O-CA 3Å; Q454-Y653 HydrophobicContact CB-CE1 4.09Å; Y455-Y653 HydrophobicContact CD2-CD1 4.33Å; Y455-Y653 HydrophobicContact CD2-CD2 4.28Å; Y455-Y653 HydrophobicContact CD2-CE1 4.14Å; Y455-Y653 HydrophobicContact CD2-CE2 4.07Å; Y455-Y653 HydrophobicContact CD2-CG 4.4Å; Y455-Y653 AromaticContact CD2-CZ 3.99Å; Y455-Y653 HydrophobicContact CG-CE1 4.48Å; N458-Y653 WeakPolarHBondContact CB-OH 3.17Å; N458-Y653 PolarHBondContact ND2-OH 2.89Å; R641-Y653 WeakPolarHBondContact CA-O 3.44Å; R641-Y653 WeakPolarHBondContact CB-O 3.47Å; F642-Y653 HydrophobicContact CD2-CD2 4.15Å; F642-Y653 AromaticContact CE2-CD2 3.62Å; F642-Y653 HydrophobicContact CE2-CD2 3.62Å; F642-Y653 HydrophobicContact CE2-CE2 4.47Å; F642-Y653 AromaticContact CE2-CG 3.98Å; F642-Y653 HydrophobicContact CE2-CG 3.98Å; F642-Y653 HydrophobicContact CZ-CD2 4.07Å; F642-Y653 AromaticContact CZ-CG 3.93Å; F642-Y653 HydrophobicContact CZ-CG 3.93Å; F642-Y653 PolarHBondContact N-O 2.99Å; F642-Y653 VanDerWaalsContact N-O 3.1Å; F642-Y653 PolarHBondContact O-N 3.43Å; V644-Y653 HydrophobicContact CB-CD2 4.48Å; V644-Y653 HydrophobicContact CB-CE2 3.89Å; V644-Y653 HydrophobicContact CG2-CD2 3.82Å; V644-Y653 HydrophobicContact CG2-CE2 3.57Å; H646-Y653 AromaticContact NE2-CE2 3.58Å; H646-Y653 AromaticContact NE2-CZ 3.6Å; H646-Y653 PolarHBondContact NE2-OH 3.43Å; V651-Y653 HydrophobicContact CB-CE2 3.83Å; V651-Y653 HydrophobicContact CG1-CD2 4.35Å; V651-Y653 HydrophobicContact CG1-CE1 3.95Å; V651-Y653 HydrophobicContact CG1-CE2 3.77Å; Y653-F658 HydrophobicContact CD1-CZ 4.4Å
654S94.3Very high90Very high17 Ų1726.4 Ų26.412%0.11916%0.161CC..EExtended strand (participates in β ladder)trans-84.5127.6169178.20000109.7N450 S656 F658N450-S654 PolarHBondContact O-N 3.08Å; S654-S656 PolarHBondContact O-N 2.89Å; S654-F658 WeakPolarHBondContact O-CD2 3.42Å; S654-F658 WeakPolarHBondContact O-CE2 3.39Å
655V93Very high89Confident0 Ų031.8 Ų31.80%018%0.181CC..  trans-68-22.8-179.2174.80000112.2E572 W575 I576 D640 F642 G657 F658E572-V655 HydrophobicContact CB-CG1 3.68Å; E572-V655 HydrophobicContact CG-CG1 3.95Å; W575-V655 HydrophobicContact CE3-CG1 3.81Å; W575-V655 HydrophobicContact CZ3-CG1 3.96Å; W575-V655 HydrophobicContact CZ3-CG2 4.36Å; I576-V655 HydrophobicContact CD1-CB 4.15Å; I576-V655 HydrophobicContact CD1-CG1 3.93Å; I576-V655 HydrophobicContact CD1-CG2 4Å; I576-V655 HydrophobicContact CG1-CB 4.47Å; I576-V655 HydrophobicContact CG1-CG1 4.14Å; I576-V655 HydrophobicContact CG1-CG2 3.89Å; D640-V655 WeakPolarHBondContact O-CB 3.34Å; D640-V655 WeakPolarHBondContact O-CG2 3.26Å; D640-V655 PolarHBondContact O-N 3.29Å; F642-V655 HydrophobicContact CD1-CG2 3.73Å; F642-V655 HydrophobicContact CE1-CG2 4.12Å; V655-G657 PolarHBondContact O-N 3.41Å; V655-F658 WeakPolarHBondContact O-CB 3.41Å; V655-F658 WeakPolarHBondContact O-CD2 3.43Å; V655-F658 PolarHBondContact O-N 3.39Å; V655-F658 VanDerWaalsContact O-N 3.1Å
656S89.8Confident88.3Confident45 Ų4530 Ų3032%0.31518%0.176SC..THydrogen-bonded Turntrans-54123.7-176.9-178.50000112.6S654 F658S654-S656 PolarHBondContact O-N 2.89Å; S656-F658 VanDerWaalsContact C-N 3.31Å; S656-F658 PolarHBondContact O-N 2.67Å
657G88Confident87.7Confident15 Ų1530.2 Ų30.216%0.15518%0.178CC..THydrogen-bonded Turntrans79.62.8176.400000114.9E572 V655 V659 T660 K661E572-G657 VanDerWaalsContact OE1-CA 3.29Å; E572-G657 WeakPolarHBondContact OE1-CA 3.3Å; E572-G657 PolarHBondContact OE1-N 3.4Å; V655-G657 PolarHBondContact O-N 3.41Å; G657-V659 VanDerWaalsContact C-N 3.32Å; G657-V659 PolarHBondContact O-N 3.35Å; G657-T660 PolarHBondContact O-N 2.72Å; G657-T660 PolarHBondContact O-OG1 3.39Å; G657-T660 VanDerWaalsContact O-OG1 3.05Å; G657-K661 WeakPolarHBondContact O-CB 3.3Å; G657-K661 WeakPolarHBondContact O-CD 3.43Å; G657-K661 WeakPolarHBondContact O-CG 3.44Å; G657-K661 PolarHBondContact O-N 2.81Å
658F93.2Very high87.3Confident0 Ų031 Ų310%019%0.186CC..Hα-helixtrans-60.1-42.8179.4-98-110.1000112F452 Y455 L539 E572 W575 F642 Y653 S654 V655 S656 N662F452-F658 HydrophobicContact CB-CD1 4.15Å; F452-F658 HydrophobicContact CB-CD2 4.21Å; F452-F658 HydrophobicContact CB-CE1 4.19Å; F452-F658 HydrophobicContact CB-CE2 4.23Å; F452-F658 HydrophobicContact CB-CG 4.18Å; F452-F658 HydrophobicContact CB-CZ 4.24Å; F452-F658 AromaticContact CD2-CD1 3.69Å; F452-F658 HydrophobicContact CD2-CD1 3.69Å; F452-F658 AromaticContact CD2-CE1 3.92Å; F452-F658 HydrophobicContact CD2-CE1 3.92Å; F452-F658 HydrophobicContact CD2-CG 4.35Å; F452-F658 HydrophobicContact CG-CD1 4.41Å; Y455-F658 HydrophobicContact CD1-CE1 4.07Å; Y455-F658 AromaticContact CG-CE1 3.95Å; Y455-F658 HydrophobicContact CG-CE1 3.95Å; Y455-F658 HydrophobicContact CG-CZ 4.24Å; L539-F658 HydrophobicContact CD1-CB 4.23Å; L539-F658 HydrophobicContact CD2-CD1 3.97Å; E572-F658 PolarHBondContact OE1-N 3.39Å; W575-F658 HydrophobicContact CE3-CB 4.36Å; W575-F658 HydrophobicContact CH2-CB 4.28Å; W575-F658 AromaticContact CH2-CD1 3.31Å; W575-F658 HydrophobicContact CH2-CD1 3.31Å; W575-F658 AromaticContact CH2-CE1 3.74Å; W575-F658 HydrophobicContact CH2-CE1 3.74Å; W575-F658 AromaticContact CH2-CG 3.9Å; W575-F658 HydrophobicContact CH2-CG 3.9Å; W575-F658 HydrophobicContact CZ2-CD1 4.43Å; W575-F658 HydrophobicContact CZ3-CB 3.64Å; W575-F658 AromaticContact CZ3-CD1 3.54Å; W575-F658 HydrophobicContact CZ3-CD1 3.54Å; W575-F658 HydrophobicContact CZ3-CD2 4.4Å; W575-F658 HydrophobicContact CZ3-CE1 4.28Å; W575-F658 AromaticContact CZ3-CG 3.6Å; W575-F658 HydrophobicContact CZ3-CG 3.6Å; F642-F658 HydrophobicContact CE1-CE1 4.27Å; F642-F658 HydrophobicContact CE1-CE2 4.49Å; F642-F658 HydrophobicContact CE1-CZ 4.08Å; F642-F658 AromaticContact CZ-CE1 3.99Å; F642-F658 HydrophobicContact CZ-CE1 3.99Å; F642-F658 AromaticContact CZ-CZ 3.89Å; F642-F658 HydrophobicContact CZ-CZ 3.89Å; Y653-F658 HydrophobicContact CD1-CZ 4.4Å; S654-F658 WeakPolarHBondContact O-CD2 3.42Å; S654-F658 WeakPolarHBondContact O-CE2 3.39Å; V655-F658 WeakPolarHBondContact O-CB 3.41Å; V655-F658 WeakPolarHBondContact O-CD2 3.43Å; V655-F658 PolarHBondContact O-N 3.39Å; V655-F658 VanDerWaalsContact O-N 3.1Å; S656-F658 VanDerWaalsContact C-N 3.31Å; S656-F658 PolarHBondContact O-N 2.67Å; F658-N662 WeakPolarHBondContact O-CB 3.44Å; F658-N662 PolarHBondContact O-N 3.07Å
659V90.5Very high87.3Confident0 Ų031.8 Ų31.80%018%0.184CC..Hα-helixtrans-68.6-45.9-177.7173.70000111L539 R571 E572 G657 N662 L663L539-V659 HydrophobicContact CD1-CG2 3.85Å; R571-V659 HydrophobicContact CB-CG1 4.42Å; R571-V659 HydrophobicContact CB-CG2 4.23Å; E572-V659 HydrophobicContact CG-CB 4.21Å; E572-V659 HydrophobicContact CG-CG2 3.62Å; G657-V659 VanDerWaalsContact C-N 3.32Å; G657-V659 PolarHBondContact O-N 3.35Å; V659-N662 PolarHBondContact O-N 3.35Å; V659-L663 HydrophobicContact CG1-CD1 4.05Å; V659-L663 WeakPolarHBondContact O-CG 3.39Å; V659-L663 PolarHBondContact O-N 3.29Å; V659-L663 VanDerWaalsContact O-N 3.14Å
660T84.9Confident87.3Confident52 Ų5230.3 Ų30.332%0.31917%0.169SC..Hα-helixtrans-65.6-42.1-179.753.90000111.6G657G657-T660 PolarHBondContact O-N 2.72Å; G657-T660 PolarHBondContact O-OG1 3.39Å; G657-T660 VanDerWaalsContact O-OG1 3.05Å
661K89.2Confident87.2Confident61 Ų6127 Ų2727%0.26515%0.145SC..Hα-helixtrans-67-39.7176.9-69.1171.7171.1-160.20112.6S451 F452 E453 G657 L663 D664 V783S451-K661 PolarHBondContact OG-NZ 2.72Å; F452-K661 HydrophobicContact CB-CB 4.08Å; F452-K661 HydrophobicContact CB-CD 3.81Å; F452-K661 HydrophobicContact CD1-CB 3.72Å; F452-K661 HydrophobicContact CE1-CB 4.44Å; F452-K661 HydrophobicContact CG-CB 4.01Å; E453-K661 VanDerWaalsContact OE1-CD 3.26Å; E453-K661 WeakPolarHBondContact OE1-CD 3.26Å; E453-K661 WeakPolarHBondContact OE1-CE 3.3Å; E453-K661 IonicContact OE1-NZ 3.15Å; E453-K661 PolarHBondContact OE1-NZ 2.92Å; E453-K661 IonicContact OE2-NZ 2.66Å; E453-K661 PolarHBondContact OE2-NZ 2.71Å; G657-K661 WeakPolarHBondContact O-CB 3.3Å; G657-K661 WeakPolarHBondContact O-CD 3.43Å; G657-K661 WeakPolarHBondContact O-CG 3.44Å; G657-K661 PolarHBondContact O-N 2.81Å; K661-L663 PolarHBondContact O-N 2.86Å; K661-D664 PolarHBondContact O-N 3.38Å; K661-V783 WeakPolarHBondContact O-CG2 3.37Å
662N91.4Very high86.9Confident0 Ų029.3 Ų29.30%016%0.159CC..Hα-helixtrans-72.6-26.6-179.6-167.641.4000113.6F452 L539 F658 V659 D664 T782 V783 F784F452-N662 HydrophobicContact CD2-CB 4.4Å; F452-N662 HydrophobicContact CE2-CB 3.75Å; F452-N662 HydrophobicContact CZ-CB 3.85Å; F452-N662 VanDerWaalsContact CZ-OD1 3.29Å; F452-N662 WeakPolarHBondContact CZ-OD1 3.42Å; L539-N662 HydrophobicContact CD2-CB 3.93Å; L539-N662 HydrophobicContact CG-CB 4.41Å; F658-N662 WeakPolarHBondContact O-CB 3.44Å; F658-N662 PolarHBondContact O-N 3.07Å; V659-N662 PolarHBondContact O-N 3.35Å; N662-D664 VanDerWaalsContact C-N 3.32Å; N662-T782 WeakPolarHBondContact O-CA 3.37Å; N662-T782 WeakPolarHBondContact OD1-CB 3.28Å; N662-V783 PolarHBondContact O-N 3.03Å; N662-V783 PolarHBondContact OD1-N 3.31Å; N662-F784 WeakPolarHBondContact OD1-CB 3.17Å; N662-F784 PolarHBondContact OD1-N 3.36Å
663L84.3Confident86.7Confident39 Ų3929.8 Ų29.820%0.20416%0.158CC..Hα-helixtrans-73.3-17.7176.7-78.9171.2000114.2C543 V659 K661 R665 L780C543-L663 HydrophobicContact CB-CD2 3.83Å; C543-L663 HydrophobicContact CB-CG 4.18Å; V659-L663 HydrophobicContact CG1-CD1 4.05Å; V659-L663 WeakPolarHBondContact O-CG 3.39Å; V659-L663 PolarHBondContact O-N 3.29Å; V659-L663 VanDerWaalsContact O-N 3.14Å; K661-L663 PolarHBondContact O-N 2.86Å; L663-R665 HydrophobicContact CB-CG 4.45Å; L663-R665 PolarHBondContact O-N 2.89Å; L663-L780 HydrophobicContact CD2-CD1 4.37Å
664D75.3Confident86.4Confident37 Ų3729.8 Ų29.820%0.19816%0.158CC..THydrogen-bonded Turntrans43.755.7-177.2-148.311.6000113.6K190 K661 N662 L666 V783K190-D664 IonicContact NZ-OD1 3.63Å; K190-D664 PolarHBondContact NZ-OD1 2.98Å; K190-D664 IonicContact NZ-OD2 2.67Å; K190-D664 PolarHBondContact NZ-OD2 3.29Å; K661-D664 PolarHBondContact O-N 3.38Å; N662-D664 VanDerWaalsContact C-N 3.32Å; D664-L666 PolarHBondContact O-N 3.27Å; D664-L666 VanDerWaalsContact O-N 3.17Å; D664-V783 HydrophobicContact CB-CG2 3.46Å; D664-V783 VanDerWaalsContact CB-CG2 3.46Å
665R75.6Confident86.1Confident113 Ų11331.5 Ų31.543%0.42616%0.163SC..  trans-58.5124.1-177-74.2175.1170.2-169.7-1.4110.9E399 C403 L663E399-R665 VanDerWaalsContact CD-NH1 3.32Å; E399-R665 WeakPolarHBondContact OE1-CD 3.21Å; E399-R665 IonicContact OE1-CZ 2.7Å; E399-R665 IonicContact OE1-NE 2.75Å; E399-R665 IonicContact OE1-NH1 3.45Å; E399-R665 PolarHBondContact OE1-NH1 3.09Å; E399-R665 IonicContact OE2-NH1 3.53Å; E399-R665 PolarHBondContact OE2-NH1 3.08Å; C403-R665 WeakPolarHBondContact CB-O 2.95Å; C403-R665 PolarHBondContact SG-O 3.18Å; L663-R665 HydrophobicContact CB-CG 4.45Å; L663-R665 PolarHBondContact O-N 2.89Å
666L76.3Confident85.9Confident48 Ų4835.4 Ų35.425%0.25118%0.184SC..  trans-105.3131.4176.3-67.4163.2000109.3S407 D664 V668 I712S407-L666 VanDerWaalsContact OG-CD2 3.26Å; S407-L666 WeakPolarHBondContact OG-CD2 3.48Å; D664-L666 PolarHBondContact O-N 3.27Å; D664-L666 VanDerWaalsContact O-N 3.17Å; L666-V668 HydrophobicContact CB-CG2 4.4Å; L666-V668 PolarHBondContact O-N 3.02Å; L666-I712 HydrophobicContact CB-CD1 4.11Å; L666-I712 HydrophobicContact CB-CG1 3.93Å; L666-I712 HydrophobicContact CD1-CB 4.48Å; L666-I712 HydrophobicContact CD1-CD1 4.47Å; L666-I712 HydrophobicContact CD1-CG1 3.47Å; L666-I712 VanDerWaalsContact CD1-CG1 3.47Å; L666-I712 HydrophobicContact CG-CG1 4.19Å
667P79.5Confident85.8Confident16 Ų1633.5 Ų33.510%0.10417%0.171CC..  trans-8367.8-17835.7-32.7000109.8Q400 C403 F404 H669 L670 L671Q400-P667 HydrophobicContact CG-CB 4.43Å; C403-P667 HydrophobicContact CB-CG 4.22Å; F404-P667 HydrophobicContact CB-CG 3.85Å; F404-P667 HydrophobicContact CD2-CG 4.08Å; F404-P667 HydrophobicContact CG-CG 4.48Å; P667-H669 VanDerWaalsContact C-N 3.3Å; P667-H669 PolarHBondContact O-N 3.22Å; P667-L670 HydrophobicContact CB-CB 4.09Å; P667-L670 WeakPolarHBondContact O-CB 3.33Å; P667-L670 PolarHBondContact O-N 3.45Å; P667-L671 HydrophobicContact CG-CD1 4.35Å; P667-L671 HydrophobicContact CG-CG 4.41Å; P667-L671 PolarHBondContact O-N 3.21Å
668V80.8Confident85.6Confident51 Ų5134.1 Ų34.131%0.30917%0.173SC..Hα-helixtrans-53.3-46-171.5-174.40000111.9L666 L670 L671 T672 I712L666-V668 HydrophobicContact CB-CG2 4.4Å; L666-V668 PolarHBondContact O-N 3.02Å; V668-L670 VanDerWaalsContact C-N 3.33Å; V668-L670 PolarHBondContact O-N 3.06Å; V668-L671 PolarHBondContact O-N 3.13Å; V668-T672 VanDerWaalsContact O-CB 3.29Å; V668-T672 WeakPolarHBondContact O-CB 3.42Å; V668-T672 PolarHBondContact O-N 3.06Å; V668-T672 PolarHBondContact O-OG1 3.34Å; V668-I712 HydrophobicContact CB-CD1 4.33Å; V668-I712 HydrophobicContact CG1-CD1 4.35Å; V668-I712 HydrophobicContact CG1-CG2 4.23Å; V668-I712 HydrophobicContact CG2-CD1 3.86Å; V668-I712 HydrophobicContact CG2-CG1 4.28Å; V668-I712 HydrophobicContact CG2-CG2 3.77Å
669H84.9Confident84.7Confident41 Ų4137 Ų3719%0.1919%0.19CC..Hα-helixtrans-57.2-46.1177.2168.4-108.1000112Q367 L372 P667 T672 W673Q367-H669 PolarHBondContact OE1-CE1 2.69Å; Q367-H669 VanDerWaalsContact OE1-CE1 3.22Å; L372-H669 HydrophobicContact CB-CB 4.44Å; L372-H669 HydrophobicContact CD1-CB 3.91Å; L372-H669 WeakPolarHBondContact CD1-CD2 3.37Å; L372-H669 HydrophobicContact CG-CB 4.04Å; L372-H669 VanDerWaalsContact CG-CD2 3.5Å; L372-H669 WeakPolarHBondContact CG-CD2 3.5Å; P667-H669 VanDerWaalsContact C-N 3.3Å; P667-H669 PolarHBondContact O-N 3.22Å; H669-T672 PolarHBondContact O-N 2.65Å; H669-W673 WeakPolarHBondContact O-CB 3.39Å; H669-W673 PolarHBondContact O-N 3.48Å
670L88.1Confident83.1Confident0 Ų041.5 Ų41.50%022%0.218CC..Hα-helixtrans-68.5-44.1-177.1-173.262.6000111.2F364 Q367 F368 Q400 F404 P667 V668 W673 V674F364-L670 HydrophobicContact CD2-CD1 4.43Å; F364-L670 HydrophobicContact CE2-CD1 3.93Å; Q367-L670 HydrophobicContact CB-CD1 3.44Å; Q367-L670 VanDerWaalsContact CB-CD1 3.44Å; Q367-L670 HydrophobicContact CG-CD1 4.41Å; F368-L670 HydrophobicContact CD1-CD2 3.93Å; F368-L670 HydrophobicContact CE1-CD2 3.45Å; F368-L670 VanDerWaalsContact CE1-CD2 3.45Å; F368-L670 HydrophobicContact CE2-CD2 4.45Å; F368-L670 HydrophobicContact CZ-CD2 3.76Å; Q400-L670 HydrophobicContact CG-CD2 4.45Å; F404-L670 HydrophobicContact CB-CD2 3.74Å; F404-L670 HydrophobicContact CD1-CD2 4.1Å; F404-L670 HydrophobicContact CD2-CB 4.27Å; F404-L670 HydrophobicContact CD2-CD2 3.44Å; F404-L670 VanDerWaalsContact CD2-CD2 3.44Å; F404-L670 HydrophobicContact CD2-CG 3.69Å; F404-L670 HydrophobicContact CE2-CD2 4.01Å; F404-L670 HydrophobicContact CE2-CG 3.81Å; F404-L670 HydrophobicContact CG-CD2 3.49Å; F404-L670 VanDerWaalsContact CG-CD2 3.49Å; F404-L670 HydrophobicContact CG-CG 4.23Å; F404-L670 HydrophobicContact CZ-CG 4.46Å; P667-L670 HydrophobicContact CB-CB 4.09Å; P667-L670 WeakPolarHBondContact O-CB 3.33Å; P667-L670 PolarHBondContact O-N 3.45Å; V668-L670 VanDerWaalsContact C-N 3.33Å; V668-L670 PolarHBondContact O-N 3.06Å; L670-W673 PolarHBondContact O-N 3.36Å; L670-V674 VanDerWaalsContact O-CG2 3.27Å; L670-V674 WeakPolarHBondContact O-CG2 3.4Å; L670-V674 PolarHBondContact O-N 3.4Å
671L88.4Confident81.4Confident0 Ų043.5 Ų43.50%023%0.23CC..Hα-helixtrans-62.7-43.6175.8-72.4164.8000111.9F404 L408 P667 V668 K675 L705 A708 L709 I712F404-L671 HydrophobicContact CD2-CD2 3.9Å; F404-L671 HydrophobicContact CD2-CG 4.11Å; F404-L671 HydrophobicContact CE2-CD2 3.64Å; F404-L671 HydrophobicContact CE2-CG 4.13Å; L408-L671 HydrophobicContact CD2-CD2 4.38Å; P667-L671 HydrophobicContact CG-CD1 4.35Å; P667-L671 HydrophobicContact CG-CG 4.41Å; P667-L671 PolarHBondContact O-N 3.21Å; V668-L671 PolarHBondContact O-N 3.13Å; L671-K675 WeakPolarHBondContact O-CB 3.28Å; L671-K675 PolarHBondContact O-N 3.21Å; L671-L705 HydrophobicContact CD2-CD2 4.09Å; L671-A708 HydrophobicContact CD1-CB 4.16Å; L671-A708 HydrophobicContact CD2-CB 4.05Å; L671-L709 HydrophobicContact CB-CD2 3.74Å; L671-L709 HydrophobicContact CB-CG 4.18Å; L671-I712 HydrophobicContact CD1-CD1 3.69Å
672T87.3Confident79.3Confident50 Ų5046.8 Ų46.831%0.30725%0.25SC..Hα-helixtrans-64.4-46.8177.8-520000110.1V668 H669 V674 K675 D676V668-T672 VanDerWaalsContact O-CB 3.29Å; V668-T672 WeakPolarHBondContact O-CB 3.42Å; V668-T672 PolarHBondContact O-N 3.06Å; V668-T672 PolarHBondContact O-OG1 3.34Å; H669-T672 PolarHBondContact O-N 2.65Å; T672-V674 PolarHBondContact O-N 2.91Å; T672-K675 PolarHBondContact O-N 3.02Å; T672-D676 WeakPolarHBondContact O-CB 3.45Å; T672-D676 PolarHBondContact O-N 2.71Å
673W89.9Confident76.8Confident41 Ų4154 Ų5416%0.15529%0.288CS..Hα-helixtrans-61.4-42.8179.5-17591.9000112.3I355 L360 S363 F364 Q367 H669 L670 D676 S677I355-W673 HydrophobicContact CD1-CH2 4.46Å; I355-W673 HydrophobicContact CD1-CZ3 3.85Å; L360-W673 HydrophobicContact CD2-CZ2 4.38Å; L360-W673 WeakPolarHBondContact O-CH2 3.38Å; S363-W673 WeakPolarHBondContact OG-CZ2 3.44Å; F364-W673 HydrophobicContact CB-CH2 4.13Å; F364-W673 HydrophobicContact CB-CZ3 4.06Å; F364-W673 HydrophobicContact CD2-CE3 4.16Å; F364-W673 HydrophobicContact CD2-CH2 4.44Å; F364-W673 AromaticContact CD2-CZ3 3.57Å; F364-W673 HydrophobicContact CD2-CZ3 3.57Å; F364-W673 HydrophobicContact CE2-CZ3 4.43Å; F364-W673 HydrophobicContact CG-CZ3 4.19Å; Q367-W673 HydrophobicContact CG-CD2 3.75Å; Q367-W673 HydrophobicContact CG-CE3 3.83Å; Q367-W673 HydrophobicContact CG-CG 4.32Å; Q367-W673 HydrophobicContact CG-CH2 4.24Å; Q367-W673 HydrophobicContact CG-CZ2 4.16Å; Q367-W673 HydrophobicContact CG-CZ3 4.07Å; H669-W673 WeakPolarHBondContact O-CB 3.39Å; H669-W673 PolarHBondContact O-N 3.48Å; L670-W673 PolarHBondContact O-N 3.36Å; W673-D676 PolarHBondContact O-N 2.92Å; W673-S677 VanDerWaalsContact O-CB 3.26Å; W673-S677 WeakPolarHBondContact O-CB 3.11Å; W673-S677 PolarHBondContact O-N 2.92Å; W673-S677 PolarHBondContact O-OG 3.31Å
674V90.3Very high74.6Confident0 Ų055.8 Ų55.80%032%0.316CS..Hα-helixtrans-64.3-46176171.80000110.4L353 I355 F364 F404 L670 T672 D676 S677 C678 L705L353-V674 HydrophobicContact CB-CG1 4.49Å; L353-V674 HydrophobicContact CD1-CG1 4.23Å; I355-V674 HydrophobicContact CD1-CG2 4.49Å; F364-V674 HydrophobicContact CD2-CG2 4.28Å; F364-V674 HydrophobicContact CE2-CG2 3.59Å; F364-V674 HydrophobicContact CZ-CG2 4.26Å; F404-V674 HydrophobicContact CE2-CG2 4.33Å; F404-V674 HydrophobicContact CZ-CG2 4.06Å; L670-V674 VanDerWaalsContact O-CG2 3.27Å; L670-V674 WeakPolarHBondContact O-CG2 3.4Å; L670-V674 PolarHBondContact O-N 3.4Å; T672-V674 PolarHBondContact O-N 2.91Å; V674-D676 PolarHBondContact O-N 3.15Å; V674-S677 PolarHBondContact O-N 3.02Å; V674-C678 PolarHBondContact O-N 3Å; V674-C678 PolarHBondContact O-SG 3.3Å; V674-L705 HydrophobicContact CG1-CD1 3.83Å; V674-L705 HydrophobicContact CG1-CD2 4.06Å
675K88Confident72.8Confident52 Ų5261.3 Ų61.323%0.22635%0.346CS..Hα-helixtrans-57.4-50.8176.8174.9178.7167.8174.90111.4L671 T672 S677 C678 T679 Y702 N706 L709L671-K675 WeakPolarHBondContact O-CB 3.28Å; L671-K675 PolarHBondContact O-N 3.21Å; T672-K675 PolarHBondContact O-N 3.02Å; K675-S677 VanDerWaalsContact C-N 3.31Å; K675-S677 PolarHBondContact O-N 2.85Å; K675-C678 PolarHBondContact O-N 2.83Å; K675-T679 WeakPolarHBondContact O-CG2 3.44Å; K675-T679 PolarHBondContact O-N 2.96Å; K675-T679 PolarHBondContact O-OG1 3.35Å; K675-Y702 HydrophobicContact CG-CE2 4.17Å; K675-N706 WeakPolarHBondContact CD-OD1 3.39Å; K675-N706 WeakPolarHBondContact CE-OD1 3.4Å; K675-N706 PolarHBondContact NZ-OD1 3.26Å; K675-L709 HydrophobicContact CB-CD1 3.97Å; K675-L709 HydrophobicContact CD-CD1 3.33Å; K675-L709 HydrophobicContact CG-CD1 4.27Å
676D87.4Confident70.9Confident83 Ų8364 Ų6444%0.44437%0.369SS..Hα-helixtrans-60.2-44.6-179.1-66-14000110.3T672 W673 V674 C678 T679 T680T672-D676 WeakPolarHBondContact O-CB 3.45Å; T672-D676 PolarHBondContact O-N 2.71Å; W673-D676 PolarHBondContact O-N 2.92Å; V674-D676 PolarHBondContact O-N 3.15Å; D676-C678 VanDerWaalsContact C-N 3.27Å; D676-C678 PolarHBondContact O-N 3.07Å; D676-T679 PolarHBondContact O-N 3.43Å; D676-T679 VanDerWaalsContact O-N 3.08Å; D676-T679 PolarHBondContact O-OG1 3.5Å; D676-T680 WeakPolarHBondContact O-CG2 3.29Å; D676-T680 PolarHBondContact O-N 3.23Å
677S87.7Confident68.8Low5 Ų565.3 Ų65.34%0.03538%0.382CS..Hα-helixtrans-63.7-27.7178.6-580000113.8P356 W673 V674 K675 T680P356-S677 WeakPolarHBondContact CD-O 3.39Å; W673-S677 VanDerWaalsContact O-CB 3.26Å; W673-S677 WeakPolarHBondContact O-CB 3.11Å; W673-S677 PolarHBondContact O-N 2.92Å; W673-S677 PolarHBondContact O-OG 3.31Å; V674-S677 PolarHBondContact O-N 3.02Å; K675-S677 VanDerWaalsContact C-N 3.31Å; K675-S677 PolarHBondContact O-N 2.85Å; S677-T680 PolarHBondContact O-OG1 2.9Å
678C84Confident66.8Low28 Ų2871.2 Ų71.219%0.18942%0.42CS..Hα-helixtrans-81.6-19.6175.4-64.40000113.1L353 V674 K675 D676L353-C678 PolarHBondContact O-SG 3.15Å; V674-C678 PolarHBondContact O-N 3Å; V674-C678 PolarHBondContact O-SG 3.3Å; K675-C678 PolarHBondContact O-N 2.83Å; D676-C678 VanDerWaalsContact C-N 3.27Å; D676-C678 PolarHBondContact O-N 3.07Å
679T74.2Confident64.2Low59 Ų5973 Ų7336%0.36243%0.432SS..Hα-helixtrans-93.1-18.6-176550000115.1K675 D676 T681 Y702K675-T679 WeakPolarHBondContact O-CG2 3.44Å; K675-T679 PolarHBondContact O-N 2.96Å; K675-T679 PolarHBondContact O-OG1 3.35Å; D676-T679 PolarHBondContact O-N 3.43Å; D676-T679 VanDerWaalsContact O-N 3.08Å; D676-T679 PolarHBondContact O-OG1 3.5Å; T679-T681 PolarHBondContact O-N 3.24Å; T679-Y702 HydrophobicContact CG2-CE2 3.65Å
680T57.6Low61.8Low95 Ų9579.3 Ų79.358%0.58347%0.465SS*.THydrogen-bonded Turntrans-70.66.6-172.245.20000115.6D676 S677D676-T680 WeakPolarHBondContact O-CG2 3.29Å; D676-T680 PolarHBondContact O-N 3.23Å; S677-T680 PolarHBondContact O-OG1 2.9Å
681T49.1Very low59Low95 Ų9585 Ų8558%0.58350%0.499SS*.THydrogen-bonded Turntrans-103.41.2-17953.50000115P356 T679P356-T681 HydrophobicContact CB-CG2 4.05Å; P356-T681 HydrophobicContact CG-CG2 4.11Å; T679-T681 PolarHBondContact O-N 3.24Å
682L44.8Very low56.1Low130 Ų13091.5 Ų91.568%0.68153%0.534SS*.SBendtrans-113.5124.8171.6-66.7166.9000109
683D39.2Very low53.6Low151 Ų15198.5 Ų98.581%0.80756%0.563SS**  trans88.965.1171.8-49.7-23.7000117.6
684G38Very low51Low77 Ų77103.1 Ų103.179%0.79459%0.591SS**  trans-78.37.1152.800000114.6
685N38.5Very low48.8Very low152 Ų152109.9 Ų109.981%0.81363%0.627SS**SBendtrans-114.1107178.4-81.3-11.1000111.7S687N685-S687 PolarHBondContact O-N 2.85Å; N685-S687 VanDerWaalsContact O-N 3.12Å
686N35.9Very low46.6Very low171 Ų171112.7 Ų112.791%0.91465%0.653SS**  trans-43106.4170.5-63-43000113.3
687S30.3Very low44.8Very low75 Ų75112.4 Ų112.452%0.52466%0.658SS.*  trans-179.3123.4142.5175.50000110.1N685 T689N685-S687 PolarHBondContact O-N 2.85Å; N685-S687 VanDerWaalsContact O-N 3.12Å; S687-T689 PolarHBondContact O-N 2.7Å; S687-T689 VanDerWaalsContact OG-CG2 3.3Å; S687-T689 WeakPolarHBondContact OG-CG2 3.48Å; S687-T689 PolarHBondContact OG-OG1 3.17Å
688P38.7Very low43.9Very low139 Ų139115.1 Ų115.190%0.90368%0.677SS**  trans-78.971.7171.634.4-30.8000108.6
689T26.9Very low44Very low90 Ų90116 Ų11655%0.55268%0.683SS**  trans-104.7120.5172.436.70000109S687 T691S687-T689 PolarHBondContact O-N 2.7Å; S687-T689 VanDerWaalsContact OG-CG2 3.3Å; S687-T689 WeakPolarHBondContact OG-CG2 3.48Å; S687-T689 PolarHBondContact OG-OG1 3.17Å; T689-T691 PolarHBondContact O-N 3.47Å; T689-T691 PolarHBondContact O-OG1 3.34Å
690I33.3Very low44.6Very low173 Ų173113.3 Ų113.389%0.88767%0.667SS**  trans-43.895.1172.8-59.8163.3000109.5
691T28.9Very low46Very low118 Ų118109 Ų10972%0.72464%0.64SS**  trans-119.696.9173.351.70000109.4T689T689-T691 PolarHBondContact O-N 3.47Å; T689-T691 PolarHBondContact O-OG1 3.34Å
692N28.8Very low47.9Very low137 Ų137108.4 Ų108.473%0.73363%0.627SS**  trans35.5112.6142.4-70-18.7000118.1N694N692-N694 PolarHBondContact O-N 2.96Å
693H34.4Very low49.9Very low198 Ų198104.4 Ų104.492%0.91761%0.607SS**SBendtrans-52.221.4169.4-100.5-62.8000118
694N36.3Very low52.3Low138 Ų13897.3 Ų97.374%0.73857%0.568SS**  trans-108.734.4-174.9-72.2-2.4000113.7N692 S696N692-N694 PolarHBondContact O-N 2.96Å; N694-S696 VanDerWaalsContact C-N 3.26Å; N694-S696 PolarHBondContact O-N 3.26Å
695N44.1Very low54.7Low141 Ų14193.7 Ų93.775%0.75453%0.531SS*.  trans-68.694.3161-79-5.1000107.8S697N695-S697 PolarHBondContact O-N 3.47Å
696S40Very low57Low111 Ų11187.7 Ų87.778%0.77650%0.499SS*.  trans-36.8124.1172.5-66.20000111.9N694N694-S696 VanDerWaalsContact C-N 3.26Å; N694-S696 PolarHBondContact O-N 3.26Å
697S51.4Low59.4Low78 Ų7881.7 Ų81.755%0.54547%0.465SS..  trans56.779.1161.6-47.40000114.6N695 S699N695-S697 PolarHBondContact O-N 3.47Å; S697-S699 PolarHBondContact O-N 3.47Å
698S68.5Low62Low62 Ų6278.2 Ų78.243%0.43444%0.441SS..  trans-45.1117.2163.234.40000110.1L700 L703S698-L700 PolarHBondContact O-N 2.63Å; S698-L703 VanDerWaalsContact O-CD1 3.3Å; S698-L703 WeakPolarHBondContact O-CD1 3.24Å; S698-L703 WeakPolarHBondContact OG-CD2 3.41Å
699S84.5Confident64.1Low45 Ų4572.4 Ų72.432%0.31540%0.402SS..  trans-47.1137.9179.2142.90000110.4E267 S697 I701 Y702 L703E267-S699 VanDerWaalsContact CD-OG 3.31Å; E267-S699 WeakPolarHBondContact OE1-CA 3.43Å; E267-S699 WeakPolarHBondContact OE1-CB 3.41Å; E267-S699 PolarHBondContact OE1-OG 2.71Å; E267-S699 WeakPolarHBondContact OE2-CB 3.34Å; E267-S699 PolarHBondContact OE2-OG 2.95Å; S697-S699 PolarHBondContact O-N 3.47Å; S699-I701 VanDerWaalsContact C-N 3.26Å; S699-I701 PolarHBondContact O-N 2.97Å; S699-I701 PolarHBondContact OG-N 3.09Å; S699-Y702 WeakPolarHBondContact O-CB 3.46Å; S699-Y702 PolarHBondContact O-N 2.76Å; S699-Y702 PolarHBondContact OG-N 3.23Å; S699-L703 PolarHBondContact O-N 3.14Å
700L87.5Confident66.6Low4 Ų471.7 Ų71.72%0.02140%0.395CS..Hα-helixtrans-51-46.3177.8172.964.9000111.7K264 E267 F268 F415 S698 Y702 L703 I704K264-L700 WeakPolarHBondContact O-CD2 3.48Å; E267-L700 HydrophobicContact CB-CB 3.76Å; E267-L700 HydrophobicContact CB-CD2 3.94Å; E267-L700 HydrophobicContact CB-CG 4.33Å; E267-L700 VanDerWaalsContact CD-N 3.29Å; E267-L700 HydrophobicContact CG-CB 4.41Å; E267-L700 PolarHBondContact OE1-N 3.48Å; E267-L700 WeakPolarHBondContact OE2-CA 3.22Å; E267-L700 WeakPolarHBondContact OE2-CB 3.44Å; E267-L700 PolarHBondContact OE2-N 3.27Å; F268-L700 HydrophobicContact CB-CD2 3.97Å; F415-L700 HydrophobicContact CD1-CD1 3.36Å; F415-L700 HydrophobicContact CE1-CD1 2.99Å; F415-L700 HydrophobicContact CE1-CG 4.49Å; F415-L700 HydrophobicContact CE2-CD1 4.38Å; F415-L700 HydrophobicContact CG-CD1 4.19Å; F415-L700 HydrophobicContact CZ-CD1 3.58Å; S698-L700 PolarHBondContact O-N 2.63Å; L700-Y702 VanDerWaalsContact C-N 3.34Å; L700-Y702 PolarHBondContact O-N 2.92Å; L700-L703 WeakPolarHBondContact O-CB 3.35Å; L700-L703 PolarHBondContact O-N 3.45Å; L700-I704 HydrophobicContact CD1-CD1 3.68Å; L700-I704 HydrophobicContact CD1-CG1 4.12Å; L700-I704 HydrophobicContact CD2-CD1 4.4Å; L700-I704 HydrophobicContact CG-CD1 3.7Å; L700-I704 HydrophobicContact CG-CG1 4.46Å; L700-I704 WeakPolarHBondContact O-CB 3.48Å; L700-I704 VanDerWaalsContact O-CG1 3.23Å; L700-I704 WeakPolarHBondContact O-CG1 3.26Å; L700-I704 PolarHBondContact O-N 2.98Å
701I88Confident68.4Low4 Ų465.2 Ų65.22%0.02136%0.364CS..Hα-helixtrans-61.4-44.3178.9-65.5173000110.6E267 K270 L352 L353 S699 L703 I704 L705E267-I701 HydrophobicContact CB-CG1 4.34Å; E267-I701 PolarHBondContact OE2-N 3.42Å; K270-I701 HydrophobicContact CB-CD1 4.07Å; K270-I701 HydrophobicContact CD-CD1 4.48Å; L352-I701 WeakPolarHBondContact O-CD1 3.37Å; L353-I701 HydrophobicContact CD2-CG2 3.96Å; S699-I701 VanDerWaalsContact C-N 3.26Å; S699-I701 PolarHBondContact O-N 2.97Å; S699-I701 PolarHBondContact OG-N 3.09Å; I701-L703 VanDerWaalsContact C-N 3.35Å; I701-L703 PolarHBondContact O-N 3.14Å; I701-I704 PolarHBondContact O-N 3.5Å; I701-L705 HydrophobicContact CG2-CD1 4.05Å; I701-L705 HydrophobicContact CG2-CG 4.47Å; I701-L705 WeakPolarHBondContact O-CG 3.49Å; I701-L705 PolarHBondContact O-N 3.45Å
702Y87.9Confident70.1Confident82 Ų8259.9 Ų59.932%0.32233%0.331SS..Hα-helixtrans-62.9-40.8176.5-175.8-106.8000112K675 T679 S699 L700 L705 N706K675-Y702 HydrophobicContact CG-CE2 4.17Å; T679-Y702 HydrophobicContact CG2-CE2 3.65Å; S699-Y702 WeakPolarHBondContact O-CB 3.46Å; S699-Y702 PolarHBondContact O-N 2.76Å; S699-Y702 PolarHBondContact OG-N 3.23Å; L700-Y702 VanDerWaalsContact C-N 3.34Å; L700-Y702 PolarHBondContact O-N 2.92Å; Y702-L705 PolarHBondContact O-N 3.4Å; Y702-N706 WeakPolarHBondContact CD1-ND2 3.49Å; Y702-N706 WeakPolarHBondContact CE1-ND2 3.21Å; Y702-N706 VanDerWaalsContact CZ-ND2 3.26Å; Y702-N706 WeakPolarHBondContact O-CB 3.33Å; Y702-N706 PolarHBondContact O-N 2.93Å; Y702-N706 PolarHBondContact O-ND2 3.41Å
703L87.3Confident71.7Confident47 Ų4758.4 Ų58.425%0.24632%0.321CS..Hα-helixtrans-63-41.2174.4-72.1173.7000112.2F415 S698 S699 L700 I701 N706 H707F415-L703 HydrophobicContact CD2-CB 4.36Å; F415-L703 HydrophobicContact CE2-CB 4.07Å; F415-L703 HydrophobicContact CE2-CD1 3.71Å; F415-L703 HydrophobicContact CE2-CG 4.49Å; F415-L703 HydrophobicContact CZ-CD1 4.07Å; S698-L703 VanDerWaalsContact O-CD1 3.3Å; S698-L703 WeakPolarHBondContact O-CD1 3.24Å; S698-L703 WeakPolarHBondContact OG-CD2 3.41Å; S699-L703 PolarHBondContact O-N 3.14Å; L700-L703 WeakPolarHBondContact O-CB 3.35Å; L700-L703 PolarHBondContact O-N 3.45Å; I701-L703 VanDerWaalsContact C-N 3.35Å; I701-L703 PolarHBondContact O-N 3.14Å; L703-N706 PolarHBondContact O-N 3.37Å; L703-H707 VanDerWaalsContact O-CB 3.28Å; L703-H707 WeakPolarHBondContact O-CB 3.36Å; L703-H707 PolarHBondContact O-N 3.39Å
704I89.4Confident73Confident1 Ų156 Ų561%0.00531%0.308CS..Hα-helixtrans-66.9-42.4177.9-71.6171000111.1L271 S411 L412 F415 L700 I701 H707 A708L271-I704 HydrophobicContact CD2-CD1 3.3Å; L271-I704 HydrophobicContact CD2-CG1 4.47Å; L271-I704 HydrophobicContact CD2-CG2 4.01Å; S411-I704 WeakPolarHBondContact CB-O 3.24Å; L412-I704 HydrophobicContact CB-CD1 4Å; L412-I704 HydrophobicContact CD1-CD1 3.65Å; L412-I704 HydrophobicContact CG-CD1 4.42Å; F415-I704 HydrophobicContact CB-CG1 4.37Å; F415-I704 HydrophobicContact CG-CG1 4.45Å; L700-I704 HydrophobicContact CD1-CD1 3.68Å; L700-I704 HydrophobicContact CD1-CG1 4.12Å; L700-I704 HydrophobicContact CD2-CD1 4.4Å; L700-I704 HydrophobicContact CG-CD1 3.7Å; L700-I704 HydrophobicContact CG-CG1 4.46Å; L700-I704 WeakPolarHBondContact O-CB 3.48Å; L700-I704 VanDerWaalsContact O-CG1 3.23Å; L700-I704 WeakPolarHBondContact O-CG1 3.26Å; L700-I704 PolarHBondContact O-N 2.98Å; I701-I704 PolarHBondContact O-N 3.5Å; I704-H707 PolarHBondContact O-N 2.81Å; I704-A708 WeakPolarHBondContact O-CB 3.46Å; I704-A708 PolarHBondContact O-N 2.94Å
705L88.6Confident73.7Confident2 Ų251.7 Ų51.71%0.0128%0.283CS..Hα-helixtrans-63.3-43.2174.7-72.8169.8000111.6L408 L671 V674 I701 Y702 A708 L709L408-L705 HydrophobicContact CD2-CD2 3.82Å; L671-L705 HydrophobicContact CD2-CD2 4.09Å; V674-L705 HydrophobicContact CG1-CD1 3.83Å; V674-L705 HydrophobicContact CG1-CD2 4.06Å; I701-L705 HydrophobicContact CG2-CD1 4.05Å; I701-L705 HydrophobicContact CG2-CG 4.47Å; I701-L705 WeakPolarHBondContact O-CG 3.49Å; I701-L705 PolarHBondContact O-N 3.45Å; Y702-L705 PolarHBondContact O-N 3.4Å; L705-A708 PolarHBondContact O-N 3.27Å; L705-L709 WeakPolarHBondContact O-CG 3.37Å; L705-L709 PolarHBondContact O-N 2.92Å
706N87.1Confident73.8Confident25 Ų2549.6 Ų49.613%0.13427%0.269CS..Hα-helixtrans-63.9-45.8174.4-76.3-44.1000111.8K675 Y702 L703 A708 L709 D710K675-N706 WeakPolarHBondContact CD-OD1 3.39Å; K675-N706 WeakPolarHBondContact CE-OD1 3.4Å; K675-N706 PolarHBondContact NZ-OD1 3.26Å; Y702-N706 WeakPolarHBondContact CD1-ND2 3.49Å; Y702-N706 WeakPolarHBondContact CE1-ND2 3.21Å; Y702-N706 VanDerWaalsContact CZ-ND2 3.26Å; Y702-N706 WeakPolarHBondContact O-CB 3.33Å; Y702-N706 PolarHBondContact O-N 2.93Å; Y702-N706 PolarHBondContact O-ND2 3.41Å; L703-N706 PolarHBondContact O-N 3.37Å; N706-A708 VanDerWaalsContact C-N 3.28Å; N706-A708 PolarHBondContact O-N 3.2Å; N706-L709 CarbonylContact O-C 3.54Å; N706-L709 PolarHBondContact O-N 3.37Å; N706-L709 VanDerWaalsContact O-N 3.07Å; N706-D710 WeakPolarHBondContact O-CB 3.31Å; N706-D710 PolarHBondContact O-N 3.44Å
707H85.2Confident73.7Confident45 Ų4550.1 Ų50.121%0.20826%0.26CS..Hα-helixtrans-59.3-41.2177.3-178.5-83.3000111.3S411 L703 I704 L709 D710 T711S411-H707 PolarHBondContact OG-ND1 2.97Å; L703-H707 VanDerWaalsContact O-CB 3.28Å; L703-H707 WeakPolarHBondContact O-CB 3.36Å; L703-H707 PolarHBondContact O-N 3.39Å; I704-H707 PolarHBondContact O-N 2.81Å; H707-L709 VanDerWaalsContact C-N 3.34Å; H707-L709 PolarHBondContact O-N 3.28Å; H707-D710 PolarHBondContact O-N 3.32Å; H707-T711 PolarHBondContact O-N 3.04Å; H707-T711 PolarHBondContact O-OG1 3.02Å
708A84.6Confident73.1Confident2 Ų255 Ų552%0.01727%0.271CS..Hα-helixtrans-60.8-41.2174.300000112.1S411 L671 I704 L705 N706 T711 I712S411-A708 WeakPolarHBondContact OG-CA 3.49Å; S411-A708 VanDerWaalsContact OG-CB 3.27Å; S411-A708 WeakPolarHBondContact OG-CB 3.43Å; S411-A708 PolarHBondContact OG-N 3.4Å; L671-A708 HydrophobicContact CD1-CB 4.16Å; L671-A708 HydrophobicContact CD2-CB 4.05Å; I704-A708 WeakPolarHBondContact O-CB 3.46Å; I704-A708 PolarHBondContact O-N 2.94Å; L705-A708 PolarHBondContact O-N 3.27Å; N706-A708 VanDerWaalsContact C-N 3.28Å; N706-A708 PolarHBondContact O-N 3.2Å; A708-T711 WeakPolarHBondContact CA-OG1 3.4Å; A708-T711 PolarHBondContact O-OG1 3.3Å; A708-T711 VanDerWaalsContact O-OG1 3.06Å; A708-I712 WeakPolarHBondContact O-CD1 3.45Å; A708-I712 WeakPolarHBondContact O-CG1 3.47Å; A708-I712 PolarHBondContact O-N 3.41Å
709L83.4Confident71.4Confident17 Ų1754.4 Ų54.49%0.08927%0.267CS..Hα-helixtrans-73.3-34.9176.2-71.2167.1000113.1L671 K675 L705 N706 H707 I712 M713L671-L709 HydrophobicContact CB-CD2 3.74Å; L671-L709 HydrophobicContact CB-CG 4.18Å; K675-L709 HydrophobicContact CB-CD1 3.97Å; K675-L709 HydrophobicContact CD-CD1 3.33Å; K675-L709 HydrophobicContact CG-CD1 4.27Å; L705-L709 WeakPolarHBondContact O-CG 3.37Å; L705-L709 PolarHBondContact O-N 2.92Å; N706-L709 CarbonylContact O-C 3.54Å; N706-L709 PolarHBondContact O-N 3.37Å; N706-L709 VanDerWaalsContact O-N 3.07Å; H707-L709 VanDerWaalsContact C-N 3.34Å; H707-L709 PolarHBondContact O-N 3.28Å; L709-I712 HydrophobicContact CD2-CD1 4.02Å; L709-I712 CarbonylContact O-C 3.6Å; L709-I712 WeakPolarHBondContact O-CA 3.4Å; L709-I712 VanDerWaalsContact O-CB 3.24Å; L709-I712 WeakPolarHBondContact O-CB 3.45Å; L709-I712 PolarHBondContact O-N 2.77Å; L709-I712 VanDerWaalsContact O-N 3.13Å; L709-M713 WeakPolarHBondContact O-CG 3.39Å; L709-M713 PolarHBondContact O-N 3.42Å
710D79.7Confident68.8Low76 Ų7655.1 Ų55.141%0.40627%0.273SS..Hα-helixtrans-71-35.8177.5-75.9-16.4000111.4N706 H707 I712 M713 K714N706-D710 WeakPolarHBondContact O-CB 3.31Å; N706-D710 PolarHBondContact O-N 3.44Å; H707-D710 PolarHBondContact O-N 3.32Å; D710-I712 PolarHBondContact O-N 2.93Å; D710-M713 PolarHBondContact O-N 2.84Å; D710-K714 WeakPolarHBondContact O-CB 3.41Å; D710-K714 WeakPolarHBondContact O-CG 3.03Å; D710-K714 PolarHBondContact O-N 2.89Å
711T70.5Confident66.1Low36 Ų3657.3 Ų57.322%0.22129%0.291CS..Hα-helixtrans-57.4-43.8168.610.30000109.5H707 A708 K714 H715H707-T711 PolarHBondContact O-N 3.04Å; H707-T711 PolarHBondContact O-OG1 3.02Å; A708-T711 WeakPolarHBondContact CA-OG1 3.4Å; A708-T711 PolarHBondContact O-OG1 3.3Å; A708-T711 VanDerWaalsContact O-OG1 3.06Å; T711-K714 PolarHBondContact O-N 2.76Å; T711-H715 WeakPolarHBondContact O-CB 3.41Å; T711-H715 PolarHBondContact O-CD2 2.86Å; T711-H715 PolarHBondContact O-N 3.16Å
712I64.9Low63.2Low7 Ų763 Ų634%0.03632%0.318CS..Hα-helixtrans-60.8-48.8173.9-62.5158.3000111.7L666 V668 L671 A708 L709 D710 K714 H715 Q716L666-I712 HydrophobicContact CB-CD1 4.11Å; L666-I712 HydrophobicContact CB-CG1 3.93Å; L666-I712 HydrophobicContact CD1-CB 4.48Å; L666-I712 HydrophobicContact CD1-CD1 4.47Å; L666-I712 HydrophobicContact CD1-CG1 3.47Å; L666-I712 VanDerWaalsContact CD1-CG1 3.47Å; L666-I712 HydrophobicContact CG-CG1 4.19Å; V668-I712 HydrophobicContact CB-CD1 4.33Å; V668-I712 HydrophobicContact CG1-CD1 4.35Å; V668-I712 HydrophobicContact CG1-CG2 4.23Å; V668-I712 HydrophobicContact CG2-CD1 3.86Å; V668-I712 HydrophobicContact CG2-CG1 4.28Å; V668-I712 HydrophobicContact CG2-CG2 3.77Å; L671-I712 HydrophobicContact CD1-CD1 3.69Å; A708-I712 WeakPolarHBondContact O-CD1 3.45Å; A708-I712 WeakPolarHBondContact O-CG1 3.47Å; A708-I712 PolarHBondContact O-N 3.41Å; L709-I712 HydrophobicContact CD2-CD1 4.02Å; L709-I712 CarbonylContact O-C 3.6Å; L709-I712 WeakPolarHBondContact O-CA 3.4Å; L709-I712 VanDerWaalsContact O-CB 3.24Å; L709-I712 WeakPolarHBondContact O-CB 3.45Å; L709-I712 PolarHBondContact O-N 2.77Å; L709-I712 VanDerWaalsContact O-N 3.13Å; D710-I712 PolarHBondContact O-N 2.93Å; I712-K714 PolarHBondContact O-N 3.42Å; I712-H715 CarbonylContact O-C 3.51Å; I712-H715 WeakPolarHBondContact O-CA 3.21Å; I712-H715 WeakPolarHBondContact O-CB 3.34Å; I712-H715 PolarHBondContact O-N 3.05Å; I712-H715 VanDerWaalsContact O-N 3.12Å; I712-Q716 HydrophobicContact CG2-CG 4.22Å; I712-Q716 WeakPolarHBondContact O-CG 3.18Å; I712-Q716 PolarHBondContact O-N 3.25Å
713M62.3Low60.4Low106 Ų10663.8 Ų63.852%0.52233%0.327SS..Hα-helixtrans-64.7-38.1-177.8-69.1-172.184.200112.2L709 D710 H715 Q716 M717L709-M713 WeakPolarHBondContact O-CG 3.39Å; L709-M713 PolarHBondContact O-N 3.42Å; D710-M713 PolarHBondContact O-N 2.84Å; M713-H715 VanDerWaalsContact C-N 3.34Å; M713-Q716 PolarHBondContact O-N 3.01Å; M713-M717 VanDerWaalsContact O-CB 3.3Å; M713-M717 WeakPolarHBondContact O-CB 3.39Å; M713-M717 VanDerWaalsContact O-CG 3.24Å; M713-M717 WeakPolarHBondContact O-CG 3.31Å; M713-M717 PolarHBondContact O-N 3.02Å
714K61.3Low57.6Low148 Ų14867.5 Ų67.564%0.64334%0.337SS*.Hα-helixtrans-64.9-38.2172.3-72.1173.9-177.4171.70111.6D710 T711 I712 K718D710-K714 WeakPolarHBondContact O-CB 3.41Å; D710-K714 WeakPolarHBondContact O-CG 3.03Å; D710-K714 PolarHBondContact O-N 2.89Å; T711-K714 PolarHBondContact O-N 2.76Å; I712-K714 PolarHBondContact O-N 3.42Å; K714-K718 PolarHBondContact O-N 3.45Å
715H51.6Low54.6Low47 Ų4769.6 Ų69.622%0.21835%0.352CS..Hα-helixtrans-68.5-34.6173.9-67.1-43.6000112.8T711 I712 M713 S719 N781T711-H715 WeakPolarHBondContact O-CB 3.41Å; T711-H715 PolarHBondContact O-CD2 2.86Å; T711-H715 PolarHBondContact O-N 3.16Å; I712-H715 CarbonylContact O-C 3.51Å; I712-H715 WeakPolarHBondContact O-CA 3.21Å; I712-H715 WeakPolarHBondContact O-CB 3.34Å; I712-H715 PolarHBondContact O-N 3.05Å; I712-H715 VanDerWaalsContact O-N 3.12Å; M713-H715 VanDerWaalsContact C-N 3.34Å; H715-S719 PolarHBondContact O-OG 3.12Å; H715-S719 VanDerWaalsContact O-OG 3.07Å; H715-N781 PolarHBondContact CE1-ND2 3.46Å; H715-N781 VanDerWaalsContact CG-ND2 3.32Å; H715-N781 VanDerWaalsContact ND1-CG 3.3Å; H715-N781 PolarHBondContact ND1-ND2 3.14Å; H715-N781 PolarHBondContact ND1-OD1 3.1Å
716Q45.8Very low51.9Low97 Ų9774.9 Ų74.945%0.45339%0.386SS..Hα-helixtrans-77.5-38.9175.3-72.7-173.51.900112.4I712 M713 K718 S719 S720I712-Q716 HydrophobicContact CG2-CG 4.22Å; I712-Q716 WeakPolarHBondContact O-CG 3.18Å; I712-Q716 PolarHBondContact O-N 3.25Å; M713-Q716 PolarHBondContact O-N 3.01Å; Q716-K718 PolarHBondContact O-N 2.88Å; Q716-S719 WeakPolarHBondContact CA-OG 3.46Å; Q716-S719 CarbonylContact O-C 3.57Å; Q716-S719 WeakPolarHBondContact O-CA 3.35Å; Q716-S719 PolarHBondContact O-N 3.05Å; Q716-S719 PolarHBondContact O-OG 3.47Å; Q716-S720 WeakPolarHBondContact O-CA 3.36Å; Q716-S720 VanDerWaalsContact O-CB 3.25Å; Q716-S720 WeakPolarHBondContact O-CB 3.43Å; Q716-S720 PolarHBondContact O-N 2.92Å
717M37.7Very low49Very low121 Ų12181.3 Ų81.360%0.59642%0.42SS*.Hα-helixtrans-68.3-36-178.3-74.8-68.1137.400112.5M713 S719 S720M713-M717 VanDerWaalsContact O-CB 3.3Å; M713-M717 WeakPolarHBondContact O-CB 3.39Å; M713-M717 VanDerWaalsContact O-CG 3.24Å; M713-M717 WeakPolarHBondContact O-CG 3.31Å; M713-M717 PolarHBondContact O-N 3.02Å; M717-S719 PolarHBondContact O-N 2.94Å; M717-S720 WeakPolarHBondContact CA-OG 3.49Å; M717-S720 PolarHBondContact O-N 2.94Å; M717-S720 PolarHBondContact O-OG 2.91Å
718K38.8Very low46.1Very low180 Ų18087.4 Ų87.478%0.78344%0.441SS*.THydrogen-bonded Turntrans-65.7-21.7169.3-72.1-176.2179.3-179.20113.3K714 Q716K714-K718 PolarHBondContact O-N 3.45Å; Q716-K718 PolarHBondContact O-N 2.88Å
719S33.9Very low43.2Very low50 Ų5095.9 Ų95.935%0.3548%0.48SS..THydrogen-bonded Turntrans-103.90.5173.961.20000114.1H715 Q716 M717 A721H715-S719 PolarHBondContact O-OG 3.12Å; H715-S719 VanDerWaalsContact O-OG 3.07Å; Q716-S719 WeakPolarHBondContact CA-OG 3.46Å; Q716-S719 CarbonylContact O-C 3.57Å; Q716-S719 WeakPolarHBondContact O-CA 3.35Å; Q716-S719 PolarHBondContact O-N 3.05Å; Q716-S719 PolarHBondContact O-OG 3.47Å; M717-S719 PolarHBondContact O-N 2.94Å; S719-A721 PolarHBondContact O-N 3.02Å
720S29Very low40.5Very low61 Ų61101.4 Ų101.443%0.42751%0.509SS..  trans-81.56.8-172.7720000114.1Q716 M717 Q722Q716-S720 WeakPolarHBondContact O-CA 3.36Å; Q716-S720 VanDerWaalsContact O-CB 3.25Å; Q716-S720 WeakPolarHBondContact O-CB 3.43Å; Q716-S720 PolarHBondContact O-N 2.92Å; M717-S720 WeakPolarHBondContact CA-OG 3.49Å; M717-S720 PolarHBondContact O-N 2.94Å; M717-S720 PolarHBondContact O-OG 2.91Å; S720-Q722 PolarHBondContact O-N 3.36Å
721A31.2Very low37.9Very low50 Ų50104.3 Ų104.341%0.41352%0.524SS..SBendtrans-6180.8146.300000107.9S719S719-A721 PolarHBondContact O-N 3.02Å
722Q28.2Very low35.7Very low122 Ų122109.6 Ų109.657%0.5755%0.551SS**  trans23.5112.2176.1-63.4-175.1-12.900115.2S720 R724S720-Q722 PolarHBondContact O-N 3.36Å; Q722-R724 VanDerWaalsContact C-N 3.25Å; Q722-R724 HydrophobicContact CB-CG 4.16Å; Q722-R724 PolarHBondContact O-N 3.33Å
723I28.3Very low33.8Very low100 Ų100116.5 Ų116.551%0.51359%0.588SS.*  trans-47.987.2165.9-59.1172.1000109.5N378N378-I723 PolarHBondContact ND2-O 3.32Å
724R27.5Very low32.2Very low124 Ų124119.1 Ų119.147%0.46860%0.604SS.*  trans-115.2110178.8-75.1-168.4-174.6-149.74110.4N378 Q722 R778N378-R724 WeakPolarHBondContact ND2-CA 3.39Å; Q722-R724 VanDerWaalsContact C-N 3.25Å; Q722-R724 HydrophobicContact CB-CG 4.16Å; Q722-R724 PolarHBondContact O-N 3.33Å; R724-R778 WeakPolarHBondContact O-CD 3.43Å; R724-R778 PolarHBondContact O-NE 3.46Å; R724-R778 PolarHBondContact O-NH1 3.2Å
725S28.1Very low30.6Very low45 Ų45119.2 Ų119.232%0.31561%0.612SS.*  trans-51.8152.5177.665.10000112.2N378 L727N378-S725 WeakPolarHBondContact CB-OG 3.4Å; N378-S725 PolarHBondContact ND2-N 3.07Å; N378-S725 PolarHBondContact OD1-OG 3.12Å; S725-L727 PolarHBondContact O-N 2.95Å
726P31.3Very low29.3Very low113 Ų113125 Ų12573%0.73464%0.639SS**SBendtrans-71.611.9-164.9-13.729.4000117.1
727L25.1Very low28.3Very low161 Ų161127.7 Ų127.784%0.84365%0.653SS**  trans-109.180.1-173.3-69.4168.4000111.8S725S725-L727 PolarHBondContact O-N 2.95Å
728R26.2Very low27.6Very low173 Ų173127.7 Ų127.765%0.65366%0.656SS**  trans-164.1101.6143.6-155.5172.5176.4-176.30.6111.1H380H380-R728 PolarHBondContact CD2-NH1 2.97Å; H380-R728 PolarHBondContact NE2-NH1 3.23Å
729Q22.7Very low27.1Very low179 Ų179126 Ų12684%0.83665%0.651SS**  trans-91163.9147.1-79.3-173.3-22.300108.5
730I25.7Very low26.7Very low134 Ų134130.7 Ų130.769%0.68767%0.671SS**  trans94.3109.6161.5-47.3178.9000115.8
731N25Very low26.7Very low137 Ų137133.2 Ų133.273%0.73369%0.689SS**  trans12.2134.1138.2-67-8000117.2
732N25.5Very low26.5Very low147 Ų147136.6 Ų136.679%0.78671%0.709SS**  -164138.1107.8-91.1-10.8000110.1
733N25.5Very low26.4Very low152 Ų152142.5 Ų142.581%0.81373%0.726SS**  trans-50.2130.2154.3-59.2-28.5000107.6
734D27.4Very low26.2Very low161 Ų161147.2 Ų147.286%0.86174%0.742SS**  trans-158.2109.4141.8-89.5-32.6000107
735D27.9Very low26.1Very low149 Ų149149.1 Ų149.180%0.79776%0.761SS**  trans-54162.7157.8-70.2-54.7000110.3
736Q25.1Very low25.9Very low169 Ų169155.2 Ų155.279%0.7979%0.79SS**  trans103.2118.5158.9-53.9-169.515.800117.8
737M24.5Very low25.6Very low153 Ų153154.9 Ų154.975%0.75479%0.79SS**  trans66.2137.5153.6-51.5-52.2178.700117.2
738D24.1Very low25.6Very low121 Ų121152.7 Ų152.765%0.64779%0.789SS**  cis-166.4152.3-2-120-24.5000107.8
739H26.5Very low25.6Very low146 Ų146150.9 Ų150.968%0.67679%0.791SS**  trans36.5115.4152-73.2-66.5000123.2
740N26Very low25.9Very low147 Ų147149 Ų14979%0.78679%0.791SS**  57.597124.6-62-16.1000119.1
741S28.7Very low25.8Very low114 Ų114148.5 Ų148.580%0.79779%0.79SS**  -176.1147.2114.9-165.60000110
742C27.3Very low25.8Very low122 Ų122149.4 Ų149.482%0.82480%0.795SS**  trans78.447.4174.2-58.10000117.8
743R25.4Very low25.7Very low245 Ų245150.1 Ų150.193%0.92580%0.798SS**  trans-80.898.7138.5-80.4-176.7179177.30.7108.4
744K25.5Very low25.8Very low199 Ų199148.4 Ų148.487%0.86580%0.798SS**  trans-167.3130.4156-101.7164.8-169.1-172.60106.2
745L24.6Very low25.6Very low164 Ų164143.9 Ų143.986%0.85979%0.79SS**SBendtrans97.931.4-175.4-51.9173.2000117.9
746N23.9Very low25.5Very low173 Ų173147.9 Ų147.993%0.92580%0.795SS**SBendtrans-131.661.4154.6-89.6-14.6000109.4
747S24.9Very low25.6Very low106 Ų106147.8 Ų147.874%0.74180%0.8SS**  trans-163.663.6169.964.30000112.7
748S24.5Very low25.6Very low115 Ų115149.4 Ų149.480%0.80481%0.806SS**  trans-152.679.6161.7-47.80000106.7
749I27Very low25.8Very low136 Ų136152.1 Ų152.170%0.69781%0.814SS**  37.7114.7113.3-56.1172.5000113.9N751I749-N751 HydrophobicContact CG2-CB 4.04Å
750V28.9Very low25.6Very low140 Ų140153 Ų15385%0.84882%0.824SS**  trans-127.287.8130.9-174.50000107
751N24.1Very low25.7Very low122 Ų122151.8 Ų151.865%0.65282%0.822SS**  trans-56.5133.4150.9-81.9-21.4000107.7I749 N753I749-N751 HydrophobicContact CG2-CB 4.04Å; N751-N753 PolarHBondContact O-N 3.37Å
752N25.5Very low25.4Very low157 Ų157153.2 Ų153.284%0.8482%0.82SS**  trans-52.1107168.9-65.3-23.5000110
753N22Very low25.5Very low162 Ų162153.7 Ų153.787%0.86682%0.815SS**  trans-123.378.6164.8-90.60.4000109.2N751N751-N753 PolarHBondContact O-N 3.37Å
754S28.2Very low25.5Very low116 Ų116147.7 Ų147.781%0.81181%0.81SS**  trans-154.583.3147.657.90000103.4
755G23.1Very low25.6Very low66 Ų66143 Ų14368%0.6879%0.794SS**  91.694.273.200000107.2
756Y25.5Very low25.7Very low232 Ų232138.7 Ų138.791%0.9178%0.777SS**  trans73.484.3174.3-62.9-86.3000117.9
757D27.7Very low26Very low167 Ų167136 Ų13689%0.89377%0.769SS**  -162.890.1130-94.8-25.9000109.5H759D757-H759 PolarHBondContact O-N 2.87Å
758Q24.3Very low26.1Very low187 Ų187135.9 Ų135.987%0.87476%0.764SS**  trans-8591.3171.8-75.8-178-2.500109.5
759H27.5Very low26.2Very low179 Ų179134.4 Ų134.483%0.82975%0.747SS**  trans-136.285.3151.7-85.4-66.5000109.4D757 V761D757-H759 PolarHBondContact O-N 2.87Å; H759-V761 PolarHBondContact O-N 3.16Å
760N23.2Very low26.2Very low163 Ų163133.7 Ų133.787%0.87275%0.745SS**  trans-55.997.4167.5-93.2-22.9000109.9
761V27.9Very low26.1Very low122 Ų122137.3 Ų137.374%0.73974%0.743SS**  trans-90.9109.5160.8-177.40000107.2H759 N763H759-V761 PolarHBondContact O-N 3.16Å; V761-N763 PolarHBondContact O-N 3.01Å
762N23.5Very low26.4Very low144 Ų144137.4 Ų137.477%0.7774%0.743SS**  trans-53.497.4175.9-69-32.2000111.2S764N762-S764 VanDerWaalsContact C-N 3.32Å; N762-S764 PolarHBondContact O-N 3.03Å
763N29.1Very low26.6Very low133 Ų133136.6 Ų136.671%0.71174%0.739SS**  trans-79.883.7167.9-95-16.2000109.8V761 I765V761-N763 PolarHBondContact O-N 3.01Å; N763-I765 HydrophobicContact CB-CD1 4.09Å; N763-I765 HydrophobicContact CB-CG1 4.16Å; N763-I765 PolarHBondContact O-N 2.77Å
764S23.8Very low27.1Very low118 Ų118132.3 Ų132.383%0.82573%0.726SS**  trans-70.974155.459.20000109N762N762-S764 VanDerWaalsContact C-N 3.32Å; N762-S764 PolarHBondContact O-N 3.03Å
765I29.4Very low27.1Very low101 Ų101132 Ų13252%0.51872%0.716SS.*  trans-96.3121.8169.6-62.8171.7000107.2N763N763-I765 HydrophobicContact CB-CD1 4.09Å; N763-I765 HydrophobicContact CB-CG1 4.16Å; N763-I765 PolarHBondContact O-N 2.77Å
766S25.6Very low27.8Very low73 Ų73135.3 Ų135.351%0.5172%0.717SS.*  trans-47.2149-175.430.70000114.8T768 N769S766-T768 PolarHBondContact O-N 2.8Å; S766-N769 PolarHBondContact O-N 3.33Å
767P29.4Very low28.4Very low116 Ų116129.2 Ų129.275%0.75371%0.705SS**THydrogen-bonded Turntrans-67.4-2.7-167.1-15.329.3000115.6
768T27.9Very low29.4Very low105 Ų105126.4 Ų126.464%0.64468%0.681SS**THydrogen-bonded Turntrans-79.1-23.6-177.348.20000113.5S766S766-T768 PolarHBondContact O-N 2.8Å
769N26.6Very low30.7Very low84 Ų84126.7 Ų126.745%0.44967%0.674SS.*SBendtrans-88.2-12.9-178.8-79.4-10000114.7S766 R771 L772S766-N769 PolarHBondContact O-N 3.33Å; N769-R771 VanDerWaalsContact C-N 3.3Å; N769-R771 PolarHBondContact O-N 3.45Å; N769-L772 PolarHBondContact O-N 2.77Å
770N27.5Very low32.5Very low121 Ų121121 Ų12165%0.64765%0.65SS**Hα-helixtrans-73.8-19.3177.1-81.7-3.1000113.6
771R26.5Very low34.9Very low215 Ų215115.3 Ų115.381%0.81162%0.62SS**Hα-helixtrans-78-22176.4-78.9-173.3174.6-177.2-1.2113.9N769N769-R771 VanDerWaalsContact C-N 3.3Å; N769-R771 PolarHBondContact O-N 3.45Å
772L30.2Very low37.8Very low125 Ų125109.6 Ų109.665%0.65459%0.585SS**Hα-helixtrans-92-24.6179.1-73.9167.7000113.3N769N769-L772 PolarHBondContact O-N 2.77Å
773N29.8Very low40.9Very low139 Ų139103.9 Ų103.974%0.74356%0.555SS**Hα-helixtrans-87.3-15.8178.3-72.6-9.4000114.2
774A32.8Very low44Very low73 Ų7397.8 Ų97.860%0.60352%0.522SS*.SBendtrans-84.4-16.5178.200000113.8N776A774-N776 PolarHBondContact O-N 3.07Å
775N28.8Very low47.2Very low110 Ų11092.8 Ų92.859%0.58849%0.49SS*.SBendtrans-86.4110.6173.3-69.8-16.1000107.8T777N775-T777 PolarHBondContact O-N 3.46Å
776N36.1Very low50.1Low134 Ų13490.8 Ų90.872%0.71748%0.48SS*.  trans-52.467.3169.9-74.2-40.3000112.1A774 R778A774-N776 PolarHBondContact O-N 3.07Å; N776-R778 PolarHBondContact O-N 3.42Å; N776-R778 VanDerWaalsContact O-N 3.12Å
777T39.1Very low53.3Low105 Ų10587.8 Ų87.864%0.64446%0.458SS*.  trans-69.2108.5170.448.60000105.7N775 R779N775-T777 PolarHBondContact O-N 3.46Å; T777-R779 VanDerWaalsContact C-N 3.3Å; T777-R779 PolarHBondContact O-N 3.12Å
778R47.8Very low56.4Low107 Ų10784.7 Ų84.740%0.40443%0.432SS..  trans-58.890.2178.8-70.117479.5-156.30.3108.9R724 N776 L780R724-R778 WeakPolarHBondContact O-CD 3.43Å; R724-R778 PolarHBondContact O-NE 3.46Å; R724-R778 PolarHBondContact O-NH1 3.2Å; N776-R778 PolarHBondContact O-N 3.42Å; N776-R778 VanDerWaalsContact O-N 3.12Å; R778-L780 PolarHBondContact O-N 3.01Å
779R52.8Low59.5Low193 Ų19382.3 Ų82.373%0.72842%0.42SS*.  trans-70.7122.7169-66.8-171.171.8-167.5-0107.6T777T777-R779 VanDerWaalsContact C-N 3.3Å; T777-R779 PolarHBondContact O-N 3.12Å
780L64.7Low62.7Low61 Ų6179.7 Ų79.732%0.31941%0.409SS..  trans-61.7141.5169-77.8176.5000109C543 L544 L663 R778 T782C543-L780 HydrophobicContact CB-CD1 3.84Å; L544-L780 HydrophobicContact CB-CD1 4.22Å; L544-L780 HydrophobicContact CD2-CD1 3.61Å; L544-L780 HydrophobicContact CD2-CD2 3.86Å; L544-L780 HydrophobicContact CD2-CG 3.39Å; L544-L780 HydrophobicContact CG-CD1 3.43Å; L544-L780 VanDerWaalsContact CG-CD1 3.43Å; L544-L780 HydrophobicContact CG-CG 3.72Å; L663-L780 HydrophobicContact CD2-CD1 4.37Å; R778-L780 PolarHBondContact O-N 3.01Å; L780-T782 VanDerWaalsContact C-N 3.35Å; L780-T782 HydrophobicContact CB-CG2 3.66Å; L780-T782 HydrophobicContact CD1-CG2 4.38Å; L780-T782 PolarHBondContact O-N 3.09Å; L780-T782 VanDerWaalsContact O-N 3.16Å
781N73.5Confident65.8Low43 Ų4374.1 Ų74.123%0.2338%0.379CS..  trans-81.287.4165.8179.983.4000108H715 N786H715-N781 PolarHBondContact CE1-ND2 3.46Å; H715-N781 VanDerWaalsContact CG-ND2 3.32Å; H715-N781 VanDerWaalsContact ND1-CG 3.3Å; H715-N781 PolarHBondContact ND1-ND2 3.14Å; H715-N781 PolarHBondContact ND1-OD1 3.1Å; N781-N786 VanDerWaalsContact CG-ND2 3.25Å; N781-N786 PolarHBondContact ND2-ND2 2.96Å; N781-N786 PolarHBondContact OD1-ND2 3.37Å; N781-N786 PolarHBondContact OD1-OD1 3.48Å
782T88.6Confident69Low1 Ų165.4 Ų65.41%0.00635%0.348CS..  trans-94154.5178.860.40000110.9E540 N662 L780 F784 G785 N786E540-T782 HydrophobicContact CG-CG2 3.96Å; E540-T782 PolarHBondContact OE1-OG1 3.41Å; N662-T782 WeakPolarHBondContact O-CA 3.37Å; N662-T782 WeakPolarHBondContact OD1-CB 3.28Å; L780-T782 VanDerWaalsContact C-N 3.35Å; L780-T782 HydrophobicContact CB-CG2 3.66Å; L780-T782 HydrophobicContact CD1-CG2 4.38Å; L780-T782 PolarHBondContact O-N 3.09Å; L780-T782 VanDerWaalsContact O-N 3.16Å; T782-F784 VanDerWaalsContact C-N 3.34Å; T782-G785 PolarHBondContact O-N 2.94Å; T782-G785 WeakPolarHBondContact OG1-CA 3.41Å; T782-G785 PolarHBondContact OG1-N 3.31Å; T782-N786 WeakPolarHBondContact O-CB 3.36Å; T782-N786 VanDerWaalsContact O-CG 3.31Å; T782-N786 PolarHBondContact O-N 2.93Å; T782-N786 PolarHBondContact O-ND2 2.9Å
783V89.5Confident72.1Confident25 Ų2565.5 Ų65.515%0.15235%0.346CS..Hα-helixtrans-60-48175.2-178.10000110.1L187 F452 K661 N662 D664 N786 F787L187-V783 HydrophobicContact CD1-CG1 4.19Å; F452-V783 HydrophobicContact CE1-CB 3.74Å; F452-V783 HydrophobicContact CE1-CG1 3.75Å; F452-V783 HydrophobicContact CE1-CG2 4.43Å; F452-V783 HydrophobicContact CZ-CB 3.85Å; F452-V783 HydrophobicContact CZ-CG1 4.17Å; K661-V783 WeakPolarHBondContact O-CG2 3.37Å; N662-V783 PolarHBondContact O-N 3.03Å; N662-V783 PolarHBondContact OD1-N 3.31Å; D664-V783 HydrophobicContact CB-CG2 3.46Å; D664-V783 VanDerWaalsContact CB-CG2 3.46Å; V783-N786 PolarHBondContact O-N 2.87Å; V783-F787 WeakPolarHBondContact O-CB 3.43Å; V783-F787 PolarHBondContact O-N 3.23Å
784F93.5Very high75.1Confident4 Ų459 Ų592%0.01831%0.311CS..Hα-helixtrans-64.9-44.5-178.9-173.4-85.7000111.5F452 Y455 Y459 I532 A536 N662 T782 N786 F787 K788F452-F784 HydrophobicContact CE2-CB 4.03Å; F452-F784 HydrophobicContact CZ-CB 3.9Å; Y455-F784 HydrophobicContact CD1-CD2 4.13Å; Y455-F784 AromaticContact CD1-CE2 3.98Å; Y455-F784 HydrophobicContact CD1-CE2 3.98Å; Y455-F784 HydrophobicContact CE1-CD2 4.08Å; Y455-F784 AromaticContact CE1-CE2 3.72Å; Y455-F784 HydrophobicContact CE1-CE2 3.72Å; Y455-F784 HydrophobicContact CE1-CZ 4.41Å; Y459-F784 HydrophobicContact CD1-CE2 4.29Å; Y459-F784 HydrophobicContact CD1-CZ 4.05Å; Y459-F784 HydrophobicContact CD2-CZ 4.12Å; Y459-F784 HydrophobicContact CE1-CZ 4.37Å; Y459-F784 HydrophobicContact CE2-CZ 4.41Å; Y459-F784 HydrophobicContact CG-CE2 4.12Å; Y459-F784 AromaticContact CG-CZ 3.91Å; Y459-F784 HydrophobicContact CG-CZ 3.91Å; I532-F784 HydrophobicContact CG2-CE2 4.38Å; I532-F784 HydrophobicContact CG2-CZ 4.02Å; A536-F784 HydrophobicContact CB-CD1 3.37Å; A536-F784 HydrophobicContact CB-CD2 4.43Å; A536-F784 HydrophobicContact CB-CE1 3.22Å; A536-F784 HydrophobicContact CB-CE2 4.32Å; A536-F784 HydrophobicContact CB-CG 4Å; A536-F784 HydrophobicContact CB-CZ 3.74Å; N662-F784 WeakPolarHBondContact OD1-CB 3.17Å; N662-F784 PolarHBondContact OD1-N 3.36Å; T782-F784 VanDerWaalsContact C-N 3.34Å; F784-N786 PolarHBondContact O-N 3.48Å; F784-F787 PolarHBondContact O-N 2.93Å; F784-K788 HydrophobicContact CD1-CB 4.41Å; F784-K788 HydrophobicContact CE1-CB 4.19Å; F784-K788 HydrophobicContact CE1-CD 4.24Å; F784-K788 VanDerWaalsContact O-CB 3.23Å; F784-K788 WeakPolarHBondContact O-CB 3.49Å; F784-K788 PolarHBondContact O-N 3.07Å
785G91.4Very high78.1Confident14 Ų1455.7 Ų55.714%0.14428%0.283CS..Hα-helixtrans-61.8-42.3179.700000112.6T782 S789T782-G785 PolarHBondContact O-N 2.94Å; T782-G785 WeakPolarHBondContact OG1-CA 3.41Å; T782-G785 PolarHBondContact OG1-N 3.31Å; G785-S789 WeakPolarHBondContact O-CB 3.46Å; G785-S789 PolarHBondContact O-N 3.3Å
786N90.9Very high81.1Confident59 Ų5955.1 Ų55.132%0.31628%0.28SS..Hα-helixtrans-65.7-45.6173.9-75.3-26.3000112.1N781 T782 V783 F784 S789 S790N781-N786 VanDerWaalsContact CG-ND2 3.25Å; N781-N786 PolarHBondContact ND2-ND2 2.96Å; N781-N786 PolarHBondContact OD1-ND2 3.37Å; N781-N786 PolarHBondContact OD1-OD1 3.48Å; T782-N786 WeakPolarHBondContact O-CB 3.36Å; T782-N786 VanDerWaalsContact O-CG 3.31Å; T782-N786 PolarHBondContact O-N 2.93Å; T782-N786 PolarHBondContact O-ND2 2.9Å; V783-N786 PolarHBondContact O-N 2.87Å; F784-N786 PolarHBondContact O-N 3.48Å; N786-S789 PolarHBondContact O-N 3.46Å; N786-S790 PolarHBondContact O-N 3.43Å
787F92.8Very high83.7Confident9 Ų950.6 Ų50.64%0.03926%0.258CS..Hα-helixtrans-61.7-48.3178.7178-113.3000111.4L187 C456 Y459 A460 V783 F784 S789 S790 V791L187-F787 HydrophobicContact CB-CD2 3.55Å; L187-F787 HydrophobicContact CB-CE2 3.43Å; L187-F787 VanDerWaalsContact CB-CE2 3.43Å; L187-F787 HydrophobicContact CB-CZ 4.34Å; L187-F787 HydrophobicContact CD1-CD2 4.21Å; L187-F787 HydrophobicContact CD1-CG 4.45Å; L187-F787 HydrophobicContact CD2-CD1 4.5Å; L187-F787 HydrophobicContact CD2-CD2 4.02Å; L187-F787 HydrophobicContact CD2-CE1 4.28Å; L187-F787 HydrophobicContact CD2-CE2 3.74Å; L187-F787 HydrophobicContact CD2-CG 4.35Å; L187-F787 HydrophobicContact CD2-CZ 3.85Å; L187-F787 HydrophobicContact CG-CD2 4.15Å; L187-F787 HydrophobicContact CG-CE2 4.13Å; C456-F787 HydrophobicContact CB-CD1 3.87Å; C456-F787 HydrophobicContact CB-CE1 3.9Å; C456-F787 WeakPolarHBondContact O-CE1 3.35Å; Y459-F787 HydrophobicContact CD1-CE1 4.29Å; A460-F787 HydrophobicContact CB-CE1 4Å; A460-F787 HydrophobicContact CB-CZ 3.67Å; V783-F787 WeakPolarHBondContact O-CB 3.43Å; V783-F787 PolarHBondContact O-N 3.23Å; F784-F787 PolarHBondContact O-N 2.93Å; F787-S789 VanDerWaalsContact C-N 3.34Å; F787-S789 PolarHBondContact O-N 2.87Å; F787-S790 PolarHBondContact O-N 3.41Å; F787-S790 PolarHBondContact O-OG 3.39Å; F787-V791 HydrophobicContact CD1-CG2 4.41Å; F787-V791 HydrophobicContact CD2-CG2 4.25Å; F787-V791 HydrophobicContact CE1-CG2 3.96Å; F787-V791 HydrophobicContact CE2-CG2 3.83Å; F787-V791 HydrophobicContact CZ-CG2 3.71Å; F787-V791 WeakPolarHBondContact O-CG2 3.44Å; F787-V791 PolarHBondContact O-N 3.44Å
788K94.1Very high86.3Confident51 Ų5145.6 Ų45.622%0.22223%0.228CC..Hα-helixtrans-52.6-51.2173175.3178-166.2-54.40111.4Y459 E533 F784 S790 V791 D792Y459-K788 HydrophobicContact CE1-CB 4.13Å; Y459-K788 HydrophobicContact CE1-CG 4.07Å; Y459-K788 WeakPolarHBondContact OH-CE 3.36Å; Y459-K788 WeakPolarHBondContact OH-CG 3.38Å; E533-K788 HydrophobicContact CG-CD 4.42Å; E533-K788 WeakPolarHBondContact OE1-CE 3.43Å; E533-K788 IonicContact OE1-NZ 2.69Å; F784-K788 HydrophobicContact CD1-CB 4.41Å; F784-K788 HydrophobicContact CE1-CB 4.19Å; F784-K788 HydrophobicContact CE1-CD 4.24Å; F784-K788 VanDerWaalsContact O-CB 3.23Å; F784-K788 WeakPolarHBondContact O-CB 3.49Å; F784-K788 PolarHBondContact O-N 3.07Å; K788-S790 VanDerWaalsContact C-N 3.26Å; K788-S790 PolarHBondContact O-N 3.02Å; K788-V791 PolarHBondContact O-N 2.9Å; K788-D792 IonicContact NZ-OD2 3.56Å; K788-D792 PolarHBondContact NZ-OD2 3.06Å; K788-D792 PolarHBondContact O-N 2.9Å
789S92.9Very high88.2Confident55 Ų5544.1 Ų44.139%0.38523%0.227SC..Hα-helixtrans-59.1-37.9178.3-174.10000112.3G785 N786 F787 Q793G785-S789 WeakPolarHBondContact O-CB 3.46Å; G785-S789 PolarHBondContact O-N 3.3Å; N786-S789 PolarHBondContact O-N 3.46Å; F787-S789 VanDerWaalsContact C-N 3.34Å; F787-S789 PolarHBondContact O-N 2.87Å; S789-Q793 WeakPolarHBondContact O-CB 3.3Å; S789-Q793 WeakPolarHBondContact O-CG 3.41Å; S789-Q793 PolarHBondContact O-N 2.8Å
790S93.2Very high89.9Confident30 Ų3041.2 Ų41.221%0.2123%0.226CC..Hα-helixtrans-70.1-37.6177.972.50000112.8N786 F787 K788 L794N786-S790 PolarHBondContact O-N 3.43Å; F787-S790 PolarHBondContact O-N 3.41Å; F787-S790 PolarHBondContact O-OG 3.39Å; K788-S790 VanDerWaalsContact C-N 3.26Å; K788-S790 PolarHBondContact O-N 3.02Å; S790-L794 WeakPolarHBondContact O-CB 3.44Å; S790-L794 PolarHBondContact O-N 3.43Å
791V93.6Very high91.3Very high4 Ų439.1 Ų39.12%0.02422%0.215CC..Hα-helixtrans-68.3-42.1175.2172.40000110.7A460 R463 F787 K788 L794 L795A460-V791 HydrophobicContact CB-CG2 4.21Å; R463-V791 HydrophobicContact CB-CG1 4.05Å; R463-V791 HydrophobicContact CG-CG1 4.24Å; F787-V791 HydrophobicContact CD1-CG2 4.41Å; F787-V791 HydrophobicContact CD2-CG2 4.25Å; F787-V791 HydrophobicContact CE1-CG2 3.96Å; F787-V791 HydrophobicContact CE2-CG2 3.83Å; F787-V791 HydrophobicContact CZ-CG2 3.71Å; F787-V791 WeakPolarHBondContact O-CG2 3.44Å; F787-V791 PolarHBondContact O-N 3.44Å; K788-V791 PolarHBondContact O-N 2.9Å; V791-L794 WeakPolarHBondContact O-CB 3.46Å; V791-L794 PolarHBondContact O-N 3.1Å; V791-L795 HydrophobicContact CG1-CD1 3.9Å; V791-L795 HydrophobicContact CG1-CG 4.49Å; V791-L795 VanDerWaalsContact O-CG 3.3Å; V791-L795 WeakPolarHBondContact O-CG 3.46Å; V791-L795 PolarHBondContact O-N 2.82Å
792D93.6Very high92.2Very high31 Ų3139.6 Ų39.617%0.16622%0.218CC..Hα-helixtrans-63.1-44.7176.6-71.8-27.2000111.1R463 K788 L794 L795 D796R463-D792 IonicContact CZ-OD1 3.4Å; R463-D792 IonicContact NE-OD1 2.92Å; R463-D792 PolarHBondContact NE-OD1 3.27Å; R463-D792 IonicContact NH2-OD1 2.66Å; R463-D792 PolarHBondContact NH2-OD1 3.46Å; K788-D792 IonicContact NZ-OD2 3.56Å; K788-D792 PolarHBondContact NZ-OD2 3.06Å; K788-D792 PolarHBondContact O-N 2.9Å; D792-L794 VanDerWaalsContact C-N 3.34Å; D792-L794 PolarHBondContact O-N 3.36Å; D792-L795 PolarHBondContact O-N 3.14Å; D792-D796 WeakPolarHBondContact O-CB 3.23Å; D792-D796 VanDerWaalsContact O-CG 3.28Å; D792-D796 PolarHBondContact O-N 3.16Å
793Q93.9Very high92.6Very high128 Ų12840 Ų4060%0.59822%0.22SC*.Hα-helixtrans-60.5-40.5174.7-75.9171.51.100113S789 D796 C797S789-Q793 WeakPolarHBondContact O-CB 3.3Å; S789-Q793 WeakPolarHBondContact O-CG 3.41Å; S789-Q793 PolarHBondContact O-N 2.8Å; Q793-D796 PolarHBondContact O-N 3.13Å; Q793-C797 WeakPolarHBondContact O-CB 3.48Å; Q793-C797 PolarHBondContact O-N 2.68Å
794L94.6Very high92.9Very high3 Ų339.1 Ų39.12%0.01621%0.214CC..Hα-helixtrans-61-47.3174.4168.564000110.9Y167 Y186 L439 L441 S790 V791 D792 D796 C797 L798Y167-L794 HydrophobicContact CD1-CD1 3.94Å; Y167-L794 HydrophobicContact CD2-CD1 4.24Å; Y167-L794 HydrophobicContact CE1-CD1 4.25Å; Y167-L794 HydrophobicContact CG-CD1 3.92Å; Y186-L794 HydrophobicContact CE1-CB 3.99Å; Y186-L794 HydrophobicContact CE1-CD2 4.2Å; Y186-L794 HydrophobicContact CE2-CD2 4.22Å; L439-L794 HydrophobicContact CD1-CD1 4.13Å; L439-L794 HydrophobicContact CD1-CD2 3.69Å; L439-L794 HydrophobicContact CD2-CD1 4.44Å; L439-L794 HydrophobicContact CD2-CD2 3.89Å; L439-L794 HydrophobicContact CD2-CG 4.45Å; L439-L794 HydrophobicContact CG-CD2 4.48Å; L441-L794 HydrophobicContact CD1-CD2 4.05Å; S790-L794 WeakPolarHBondContact O-CB 3.44Å; S790-L794 PolarHBondContact O-N 3.43Å; V791-L794 WeakPolarHBondContact O-CB 3.46Å; V791-L794 PolarHBondContact O-N 3.1Å; D792-L794 VanDerWaalsContact C-N 3.34Å; D792-L794 PolarHBondContact O-N 3.36Å; L794-D796 VanDerWaalsContact C-N 3.35Å; L794-D796 PolarHBondContact O-N 3.2Å; L794-C797 WeakPolarHBondContact O-CB 3.45Å; L794-C797 PolarHBondContact O-N 3.42Å; L794-L798 HydrophobicContact CD1-CD1 4Å; L794-L798 HydrophobicContact CD1-CG 4.18Å; L794-L798 HydrophobicContact CG-CD1 4.06Å; L794-L798 VanDerWaalsContact O-CG 3.29Å; L794-L798 WeakPolarHBondContact O-CG 3.49Å; L794-L798 PolarHBondContact O-N 3.47Å
795L93.8Very high93Very high3 Ų339.1 Ų39.12%0.01621%0.214CC..Hα-helixtrans-67.7-35.4-179.1-69.2170.1000112.3R463 L464 T467 V791 D792 L798 N799R463-L795 HydrophobicContact CB-CD1 3.75Å; R463-L795 VanDerWaalsContact CZ-CD1 3.45Å; R463-L795 VanDerWaalsContact NH2-CD1 3.34Å; L464-L795 HydrophobicContact CD2-CD2 4.19Å; T467-L795 HydrophobicContact CG2-CD2 4.35Å; T467-L795 WeakPolarHBondContact OG1-CD2 3.38Å; V791-L795 HydrophobicContact CG1-CD1 3.9Å; V791-L795 HydrophobicContact CG1-CG 4.49Å; V791-L795 VanDerWaalsContact O-CG 3.3Å; V791-L795 WeakPolarHBondContact O-CG 3.46Å; V791-L795 PolarHBondContact O-N 2.82Å; D792-L795 PolarHBondContact O-N 3.14Å; L795-L798 HydrophobicContact CD2-CD1 4.28Å; L795-L798 PolarHBondContact O-N 2.88Å; L795-N799 PolarHBondContact O-N 2.89Å; L795-N799 PolarHBondContact O-ND2 3.3Å
796D92.5Very high93.3Very high98 Ų9838.4 Ų38.452%0.52421%0.207SC..Hα-helixtrans-64.2-41.6172.8-71.2-21.1000111.5D792 Q793 L794 N799D792-D796 WeakPolarHBondContact O-CB 3.23Å; D792-D796 VanDerWaalsContact O-CG 3.28Å; D792-D796 PolarHBondContact O-N 3.16Å; Q793-D796 PolarHBondContact O-N 3.13Å; L794-D796 VanDerWaalsContact C-N 3.35Å; L794-D796 PolarHBondContact O-N 3.2Å; D796-N799 PolarHBondContact O-N 3.27Å
797C91.5Very high93.5Very high39 Ų3936.1 Ų36.126%0.26419%0.193SC..Hα-helixtrans-59.3-47.5172.2-1760000111.1Q793 L794 N799 N800 H801Q793-C797 WeakPolarHBondContact O-CB 3.48Å; Q793-C797 PolarHBondContact O-N 2.68Å; L794-C797 WeakPolarHBondContact O-CB 3.45Å; L794-C797 PolarHBondContact O-N 3.42Å; C797-N799 VanDerWaalsContact C-N 3.29Å; C797-N799 PolarHBondContact O-N 2.87Å; C797-N800 PolarHBondContact O-N 3.39Å; C797-H801 PolarHBondContact O-CE1 3.31Å; C797-H801 PolarHBondContact O-ND1 3.36Å
798L92.6Very high93.7Very high0 Ų035.9 Ų35.90%019%0.193CC..Hα-helixtrans-66.2-26179.8-70.1173000113.7S95 I97 Y167 L439 L794 L795 N800 H801 L803S95-L798 WeakPolarHBondContact OG-CD2 3.29Å; I97-L798 HydrophobicContact CD1-CD1 3.93Å; I97-L798 HydrophobicContact CG1-CD1 4.48Å; Y167-L798 HydrophobicContact CE2-CD2 4.11Å; L439-L798 HydrophobicContact CD2-CD1 3.85Å; L794-L798 HydrophobicContact CD1-CD1 4Å; L794-L798 HydrophobicContact CD1-CG 4.18Å; L794-L798 HydrophobicContact CG-CD1 4.06Å; L794-L798 VanDerWaalsContact O-CG 3.29Å; L794-L798 WeakPolarHBondContact O-CG 3.49Å; L794-L798 PolarHBondContact O-N 3.47Å; L795-L798 HydrophobicContact CD2-CD1 4.28Å; L795-L798 PolarHBondContact O-N 2.88Å; L798-N800 PolarHBondContact O-N 2.91Å; L798-H801 WeakPolarHBondContact O-CB 3.23Å; L798-H801 PolarHBondContact O-N 3.43Å; L798-L803 HydrophobicContact CB-CD1 4.3Å; L798-L803 HydrophobicContact CB-CD2 4.11Å; L798-L803 HydrophobicContact CD2-CD2 3.99Å; L798-L803 WeakPolarHBondContact O-CD2 3.45Å
799N89.1Confident93.7Very high75 Ų7533.7 Ų33.740%0.40118%0.184SC..Hα-helixtrans-62.9-23176.5-74.1-32.3000113.3R470 L795 D796 C797 H801R470-N799 PolarHBondContact NH2-OD1 3.08Å; L795-N799 PolarHBondContact O-N 2.89Å; L795-N799 PolarHBondContact O-ND2 3.3Å; D796-N799 PolarHBondContact O-N 3.27Å; C797-N799 VanDerWaalsContact C-N 3.29Å; C797-N799 PolarHBondContact O-N 2.87Å; N799-H801 VanDerWaalsContact C-N 3.32Å
800N88.4Confident93.6Very high132 Ų13232.1 Ų32.171%0.70617%0.169SC*.THydrogen-bonded Turntrans-89.22.8175.3-62.3-27.8000113.1C797 L798C797-N800 PolarHBondContact O-N 3.39Å; L798-N800 PolarHBondContact O-N 2.91Å
801H93.6Very high93.5Very high17 Ų1730.9 Ų30.98%0.07916%0.16CC..EExtended strand (participates in β ladder)trans-110.2150-179.4-6664.4000110.8N93 Q94 S95 E435 C797 L798 N799 L803N93-H801 WeakPolarHBondContact CB-CD2 3.45Å; N93-H801 VanDerWaalsContact CB-NE2 3.33Å; N93-H801 WeakPolarHBondContact CB-NE2 3.41Å; N93-H801 CarbonylContact O-C 3.41Å; N93-H801 VanDerWaalsContact O-CA 3.29Å; N93-H801 WeakPolarHBondContact O-CA 3.46Å; Q94-H801 PolarHBondContact O-CD2 2.77Å; S95-H801 PolarHBondContact OG-CD2 2.56Å; E435-H801 IonicContact OE1-NE2 3.77Å; C797-H801 PolarHBondContact O-CE1 3.31Å; C797-H801 PolarHBondContact O-ND1 3.36Å; L798-H801 WeakPolarHBondContact O-CB 3.23Å; L798-H801 PolarHBondContact O-N 3.43Å; N799-H801 VanDerWaalsContact C-N 3.32Å; H801-L803 HydrophobicContact CB-CD2 3.81Å; H801-L803 PolarHBondContact O-N 2.89Å
802N93.1Very high93Very high54 Ų5432 Ų3229%0.28917%0.166SC..EExtended strand (participates in β ladder)trans-71.4121161.1-73.5-10.5000108.6N93 Q94 S95 Y804N93-N802 PolarHBondContact O-N 3.35Å; Q94-N802 CarbonylContact C-O 3.58Å; Q94-N802 PolarHBondContact NE2-ND2 3.24Å; Q94-N802 PolarHBondContact OE1-ND2 3.42Å; S95-N802 PolarHBondContact N-O 2.87Å; N802-Y804 HydrophobicContact CB-CE2 4.31Å
803L95.4Very high92.2Very high9 Ų934 Ų345%0.04718%0.177CC..EExtended strand (participates in β ladder)trans-100.7132.3-173.2-56-170.8000112.6S95 I97 T467 I471 L798 H801 F805S95-L803 WeakPolarHBondContact O-CA 3.49Å; I97-L803 HydrophobicContact CD1-CB 4.47Å; I97-L803 HydrophobicContact CD1-CD1 3.78Å; I97-L803 HydrophobicContact CD1-CD2 4.2Å; I97-L803 HydrophobicContact CD1-CG 4.37Å; T467-L803 HydrophobicContact CG2-CD1 4.12Å; I471-L803 HydrophobicContact CD1-CB 4.11Å; I471-L803 HydrophobicContact CD1-CD1 3.22Å; I471-L803 HydrophobicContact CD1-CG 3.95Å; L798-L803 HydrophobicContact CB-CD1 4.3Å; L798-L803 HydrophobicContact CB-CD2 4.11Å; L798-L803 HydrophobicContact CD2-CD2 3.99Å; L798-L803 WeakPolarHBondContact O-CD2 3.45Å; H801-L803 HydrophobicContact CB-CD2 3.81Å; H801-L803 PolarHBondContact O-N 2.89Å; L803-F805 HydrophobicContact CB-CE2 3.99Å; L803-F805 HydrophobicContact CB-CZ 4Å; L803-F805 HydrophobicContact CD1-CZ 4.3Å
804Y96.1Very high90.8Very high6 Ų629.1 Ų29.12%0.02416%0.156CC..EExtended strand (participates in β ladder)trans-116.1141.7172.6-64-94.5000108.9N41 M79 E82 C83 Q86 S95 I96 I97 N802N41-Y804 HydrophobicContact CB-CD1 4.13Å; N41-Y804 HydrophobicContact CB-CE1 4.47Å; N41-Y804 CarbonylContact O-C 3.52Å; N41-Y804 WeakPolarHBondContact O-CA 3.49Å; M79-Y804 HydrophobicContact SD-CD1 3.44Å; M79-Y804 WeakPolarHBondContact SD-CD1 3.45Å; M79-Y804 HydrophobicContact SD-CE1 4.43Å; M79-Y804 HydrophobicContact SD-CG 3.93Å; E82-Y804 HydrophobicContact CG-CE1 3.93Å; C83-Y804 WeakPolarHBondContact SG-CD2 3.46Å; Q86-Y804 WeakPolarHBondContact CG-OH 3.38Å; S95-Y804 PolarHBondContact O-N 2.88Å; I96-Y804 CarbonylContact C-O 3.48Å; I96-Y804 WeakPolarHBondContact CA-O 3.43Å; I97-Y804 PolarHBondContact N-O 2.99Å; N802-Y804 HydrophobicContact CB-CE2 4.31Å
805F96.9Very high88.8Confident4 Ų433.8 Ų33.82%0.01819%0.189CC..EExtended strand (participates in β ladder)trans-120.4130-174.6-63.1-84.6000111.1N41 I42 L43 M79 I97 F468 I471 L803N41-F805 PolarHBondContact O-N 2.66Å; I42-F805 CarbonylContact C-O 3.45Å; I42-F805 WeakPolarHBondContact CA-O 3.37Å; I42-F805 HydrophobicContact CG1-CB 4.39Å; I42-F805 HydrophobicContact CG1-CD2 4.48Å; I42-F805 HydrophobicContact CG2-CB 4.4Å; L43-F805 PolarHBondContact N-O 3.35Å; M79-F805 WeakPolarHBondContact CE-O 3.42Å; I97-F805 HydrophobicContact CB-CD1 3.9Å; I97-F805 HydrophobicContact CB-CE1 4.11Å; I97-F805 HydrophobicContact CD1-CD1 4.43Å; I97-F805 HydrophobicContact CD1-CE1 3.77Å; I97-F805 HydrophobicContact CD1-CZ 4.31Å; I97-F805 HydrophobicContact CG1-CE1 4.47Å; I97-F805 HydrophobicContact CG2-CD1 4.15Å; I97-F805 HydrophobicContact CG2-CE1 4.28Å; I97-F805 WeakPolarHBondContact O-CA 3.39Å; F468-F805 HydrophobicContact CB-CD1 4.39Å; F468-F805 HydrophobicContact CB-CE1 4Å; F468-F805 HydrophobicContact CB-CZ 4.35Å; F468-F805 HydrophobicContact CD2-CB 4.19Å; F468-F805 AromaticContact CD2-CD1 3.74Å; F468-F805 HydrophobicContact CD2-CD1 3.74Å; F468-F805 AromaticContact CD2-CD2 3.95Å; F468-F805 HydrophobicContact CD2-CD2 3.95Å; F468-F805 HydrophobicContact CD2-CE1 4.03Å; F468-F805 HydrophobicContact CD2-CE2 4.24Å; F468-F805 AromaticContact CD2-CG 3.68Å; F468-F805 HydrophobicContact CD2-CG 3.68Å; F468-F805 HydrophobicContact CD2-CZ 4.27Å; F468-F805 HydrophobicContact CE2-CB 4.27Å; F468-F805 HydrophobicContact CE2-CD2 4.4Å; F468-F805 HydrophobicContact CE2-CG 4.18Å; I471-F805 HydrophobicContact CB-CE2 4.24Å; I471-F805 HydrophobicContact CB-CZ 4.39Å; I471-F805 HydrophobicContact CD1-CE2 4.49Å; I471-F805 HydrophobicContact CD1-CZ 4.09Å; I471-F805 HydrophobicContact CG2-CE2 3.97Å; L803-F805 HydrophobicContact CB-CE2 3.99Å; L803-F805 HydrophobicContact CB-CZ 4Å; L803-F805 HydrophobicContact CD1-CZ 4.3Å
806I97Very high86.5Confident0 Ų036.8 Ų36.80%022%0.221CC..EExtended strand (participates in β ladder)trans-109.8116166.5-59.1173.7000107.4L43 V76 M79 I96 I97 I98 T99 I113L43-I806 HydrophobicContact CB-CG1 4.34Å; L43-I806 HydrophobicContact CD2-CG1 4.45Å; L43-I806 CarbonylContact O-C 3.58Å; L43-I806 VanDerWaalsContact O-CA 3.3Å; L43-I806 WeakPolarHBondContact O-CA 3.4Å; V76-I806 HydrophobicContact CG1-CD1 4.08Å; M79-I806 HydrophobicContact CE-CG1 4.07Å; I96-I806 HydrophobicContact CG2-CD1 3.63Å; I96-I806 HydrophobicContact CG2-CG1 4Å; I97-I806 PolarHBondContact O-N 3.14Å; I98-I806 HydrophobicContact CG1-CB 4.19Å; I98-I806 HydrophobicContact CG1-CD1 4.17Å; I98-I806 HydrophobicContact CG2-CB 4.36Å; I98-I806 HydrophobicContact CG2-CG2 4.42Å; T99-I806 PolarHBondContact N-O 3Å; I113-I806 HydrophobicContact CD1-CD1 3.37Å
807R95.6Very high83.9Confident10 Ų1039.6 Ų39.64%0.03823%0.233CC..EExtended strand (participates in β ladder)trans-100.6101178.1-68.7-65.9-169.4175.120.1108.9I42 L43 L44 S45 T99 L842I42-R807 HydrophobicContact CG2-CG 4.36Å; L43-R807 PolarHBondContact O-N 3.19Å; L44-R807 WeakPolarHBondContact CA-O 3.13Å; S45-R807 PolarHBondContact N-O 2.93Å; T99-R807 VanDerWaalsContact CB-NH1 3.3Å; T99-R807 VanDerWaalsContact OG1-CD 3.26Å; T99-R807 WeakPolarHBondContact OG1-CD 3.44Å; T99-R807 PolarHBondContact OG1-NH1 3.13Å; R807-L842 HydrophobicContact CB-CD1 3.99Å; R807-L842 HydrophobicContact CB-CD2 4.21Å; R807-L842 HydrophobicContact CB-CG 4.47Å; R807-L842 HydrophobicContact CG-CD1 4.35Å; R807-L842 HydrophobicContact CG-CD2 3.89Å; R807-L842 HydrophobicContact CG-CG 4.3Å
808C95.7Very high81Confident5 Ų545.4 Ų45.43%0.03426%0.261CS..EExtended strand (participates in β ladder)trans-80.1126.4177.5-66.30000110.4S45 T99 G100 S104 K106S45-C808 CarbonylContact O-C 3.53Å; S45-C808 VanDerWaalsContact O-CA 3.27Å; S45-C808 WeakPolarHBondContact O-CA 3.27Å; T99-C808 PolarHBondContact O-N 3.03Å; G100-C808 VanDerWaalsContact CA-O 3.3Å; G100-C808 WeakPolarHBondContact CA-O 3.24Å; S104-C808 WeakPolarHBondContact O-CB 3.44Å; S104-C808 WeakPolarHBondContact OG-CB 3.49Å; K106-C808 HydrophobicContact CG-CB 3.97Å
809I94.5Very high78.1Confident4 Ų449.7 Ų49.72%0.02129%0.29CS..EExtended strand (participates in β ladder)trans-115.1134.2-178.4-60.9174.8000108.4L44 S45 I46 N47 I833 L837 L842L44-I809 HydrophobicContact CD2-CD1 4.07Å; L44-I809 HydrophobicContact CG-CD1 4.43Å; S45-I809 PolarHBondContact O-N 2.89Å; I46-I809 WeakPolarHBondContact CA-O 3.31Å; I46-I809 HydrophobicContact CG1-CB 4.25Å; N47-I809 PolarHBondContact N-O 3.27Å; I809-I833 HydrophobicContact CG2-CG1 4.32Å; I809-L837 HydrophobicContact CD1-CD2 3.62Å; I809-L837 HydrophobicContact CD1-CG 4.48Å; I809-L842 HydrophobicContact CD1-CD1 4.32Å
810R91Very high75.4Confident23 Ų2352.9 Ų52.99%0.08731%0.313CS..  trans-88.9131.3172.6-174-178.8-178.4113.42.3109.6S102 F157 D812 Y832 Q836S102-R810 PolarHBondContact O-NH1 2.78Å; F157-R810 PolarHBondContact O-NH1 3Å; F157-R810 PolarHBondContact O-NH2 2.93Å; R810-D812 VanDerWaalsContact C-N 3.32Å; R810-D812 VanDerWaalsContact CD-O 3.3Å; R810-D812 WeakPolarHBondContact CD-O 3.48Å; R810-D812 WeakPolarHBondContact CG-O 3.41Å; R810-D812 PolarHBondContact NE-O 3.4Å; R810-D812 IonicContact NE-OD1 3.27Å; R810-D812 PolarHBondContact O-N 2.97Å; R810-Y832 HydrophobicContact CB-CE1 3.98Å; R810-Y832 HydrophobicContact CG-CE1 4.19Å; R810-Q836 PolarHBondContact O-NE2 2.81Å
811P90.2Very high72.7Confident3 Ų351.2 Ų51.22%0.01931%0.307CS..SBendtrans-70.8-22-174.527.7-36.7000114.6Y29 I46 N47 K49 I828 D829Y29-P811 HydrophobicContact CE2-CB 4.24Å; I46-P811 HydrophobicContact CG2-CB 4.14Å; N47-P811 WeakPolarHBondContact O-CD 3.21Å; N47-P811 WeakPolarHBondContact O-CG 3.34Å; K49-P811 HydrophobicContact CD-CG 4.23Å; K49-P811 HydrophobicContact CG-CG 4.22Å; P811-I828 HydrophobicContact CB-CD1 4.35Å; P811-I828 HydrophobicContact CB-CG1 3.61Å; P811-D829 PolarHBondContact O-N 2.66Å
812D84.1Confident69.7Low28 Ų2857.1 Ų57.115%0.1534%0.338CS..SBendtrans-150.3163.7-172.466.6-18.2000113.4K49 R810 Y832K49-D812 WeakPolarHBondContact CE-OD1 3.31Å; K49-D812 IonicContact NZ-OD1 2.85Å; K49-D812 PolarHBondContact NZ-OD1 2.93Å; K49-D812 IonicContact NZ-OD2 2.65Å; K49-D812 PolarHBondContact NZ-OD2 3.09Å; R810-D812 VanDerWaalsContact C-N 3.32Å; R810-D812 VanDerWaalsContact CD-O 3.3Å; R810-D812 WeakPolarHBondContact CD-O 3.48Å; R810-D812 WeakPolarHBondContact CG-O 3.41Å; R810-D812 PolarHBondContact NE-O 3.4Å; R810-D812 IonicContact NE-OD1 3.27Å; R810-D812 PolarHBondContact O-N 2.97Å; D812-Y832 VanDerWaalsContact C-CD1 3.41Å; D812-Y832 WeakPolarHBondContact O-CD1 3.29Å; D812-Y832 WeakPolarHBondContact O-CE1 3.27Å
813L76.5Confident67.2Low73 Ų7362.8 Ų62.838%0.38237%0.368SS..  trans-65148.7172.4-93.385.3000111.1S815 D829 Y832L813-S815 PolarHBondContact O-N 2.8Å; L813-D829 VanDerWaalsContact CD1-OD2 3.24Å; L813-D829 WeakPolarHBondContact CD1-OD2 3.44Å; L813-Y832 HydrophobicContact CD1-CD1 4.25Å; L813-Y832 HydrophobicContact CD1-CD2 3.47Å; L813-Y832 VanDerWaalsContact CD1-CD2 3.47Å; L813-Y832 HydrophobicContact CD1-CE2 4.22Å; L813-Y832 HydrophobicContact CD1-CG 3.5Å; L813-Y832 VanDerWaalsContact CD1-CG 3.5Å; L813-Y832 HydrophobicContact CG-CD2 4.07Å; L813-Y832 HydrophobicContact CG-CE2 4.33Å; L813-Y832 HydrophobicContact CG-CG 4.33Å
814P63.8Low64.4Low26 Ų2666.1 Ų66.117%0.16939%0.392CS..  trans-61.2132.5171.122.1-28.3000111.2F157 G816F157-P814 HydrophobicContact CB-CB 4.26Å; F157-P814 HydrophobicContact CD1-CB 3.1Å; F157-P814 HydrophobicContact CD1-CG 3.34Å; F157-P814 HydrophobicContact CE1-CB 3.57Å; F157-P814 HydrophobicContact CE1-CG 3.33Å; F157-P814 HydrophobicContact CG-CB 3.94Å; F157-P814 HydrophobicContact CG-CG 4.12Å; F157-P814 HydrophobicContact CZ-CG 4.13Å; P814-G816 PolarHBondContact O-N 3.34Å
815S53.4Low61.8Low100 Ų10073.1 Ų73.170%0.69943%0.429SS*.THydrogen-bonded Turntrans-64.721.7-176.6-49.50000115.9L813L813-S815 PolarHBondContact O-N 2.8Å
816G44.6Very low59.8Low67 Ų6777.2 Ų77.269%0.69146%0.458SS*.THydrogen-bonded Turntrans-94.5-15.417800000115.5P814P814-G816 PolarHBondContact O-N 3.34Å
817M38.1Very low58.5Low156 Ų15683 Ų8377%0.76849%0.488SS*.SBendtrans-96.192.6171.4-88.8167.277.300109.6C819M817-C819 PolarHBondContact O-N 3.01Å
818N31.8Very low58Low161 Ų16183.8 Ų83.886%0.86149%0.493SS*.SBendtrans54.654.8161.9-58.8-15.9000117.3
819C30.7Very low57.7Low90 Ų9085.9 Ų85.961%0.60850%0.503SS*.  trans-13776.6162-115.10000111.9M817 T821M817-C819 PolarHBondContact O-N 3.01Å; C819-T821 PolarHBondContact O-N 3Å; C819-T821 VanDerWaalsContact O-N 3.1Å
820T32.3Very low57.6Low143 Ų14391.5 Ų91.588%0.87753%0.525SS*.  trans-7960.916051.70000109.7
821T31.4Very low57.5Low96 Ų9695.4 Ų95.459%0.58955%0.547SS*.  trans-157.8114168.4360000111.7C819C819-T821 PolarHBondContact O-N 3Å; C819-T821 VanDerWaalsContact O-N 3.1Å
822I31.9Very low57.6Low142 Ų14297.5 Ų97.573%0.72856%0.555SS**  trans83.1114.7141.7-55.1163.5000116.5S824I822-S824 PolarHBondContact O-N 3.42Å
823N39.4Very low58Low172 Ų17296.1 Ų96.192%0.9255%0.548SS*.  trans-38.5100.2150-73.9-21.3000111.2
824S37.3Very low58.7Low79 Ų7995.9 Ų95.955%0.55255%0.545SS*.  trans-152.3126.5162.660.20000111.7I822I822-S824 PolarHBondContact O-N 3.42Å
825L41.7Very low60Low153 Ų15398.1 Ų98.180%0.80156%0.555SS**SBendtrans-23.3132.5163.4-96.756.3000115.1I827L825-I827 PolarHBondContact O-N 2.93Å
826S55Low61.8Low90 Ų9094.3 Ų94.363%0.62953%0.526SS*.  trans49.340.9141.671.90000118.3I828S826-I828 VanDerWaalsContact C-N 3.32Å; S826-I828 PolarHBondContact O-N 3.4Å
827I70.4Confident64.1Low122 Ų12291.1 Ų91.163%0.62649%0.494SS*.  trans-74.894.9165.6-55.9176.3000107.4L825L825-I827 PolarHBondContact O-N 2.93Å
828I84.6Confident66.5Low26 Ų2688.2 Ų88.213%0.13348%0.481CS..  trans-66.4129.8164.1-107.4-175.2000108I26 Y29 P811 S826 I833I26-I828 HydrophobicContact CB-CG2 4.48Å; I26-I828 HydrophobicContact CD1-CG2 3.86Å; I26-I828 HydrophobicContact CG1-CD1 4.41Å; I26-I828 HydrophobicContact CG1-CG2 3.72Å; I26-I828 HydrophobicContact CG2-CG2 4.08Å; Y29-I828 HydrophobicContact CD1-CD1 3.14Å; Y29-I828 HydrophobicContact CD1-CG1 3.84Å; Y29-I828 HydrophobicContact CD2-CD1 3.97Å; Y29-I828 HydrophobicContact CE1-CD1 3.68Å; Y29-I828 HydrophobicContact CE1-CG1 3.86Å; Y29-I828 HydrophobicContact CE2-CD1 4.41Å; Y29-I828 HydrophobicContact CG-CD1 3.28Å; Y29-I828 HydrophobicContact CG-CG1 4.32Å; P811-I828 HydrophobicContact CB-CD1 4.35Å; P811-I828 HydrophobicContact CB-CG1 3.61Å; S826-I828 VanDerWaalsContact C-N 3.32Å; S826-I828 PolarHBondContact O-N 3.4Å; I828-I833 HydrophobicContact CD1-CD1 3.91Å; I828-I833 HydrophobicContact CG1-CD1 4.05Å; I828-I833 HydrophobicContact CG2-CD1 3.92Å
829D89.4Confident69.2Low49 Ų4983.4 Ų83.426%0.26246%0.455SS..  trans-92.7108.1172.3-175.5-21.8000109.4P811 L813 N831 Y832 I833P811-D829 PolarHBondContact O-N 2.66Å; L813-D829 VanDerWaalsContact CD1-OD2 3.24Å; L813-D829 WeakPolarHBondContact CD1-OD2 3.44Å; D829-N831 VanDerWaalsContact C-N 3.33Å; D829-N831 PolarHBondContact O-N 2.64Å; D829-N831 PolarHBondContact OD1-N 3.27Å; D829-Y832 PolarHBondContact O-N 3.06Å; D829-Y832 PolarHBondContact OD1-N 2.67Å; D829-Y832 VanDerWaalsContact OD1-N 3.12Å; D829-I833 WeakPolarHBondContact O-CG1 3.34Å; D829-I833 PolarHBondContact O-N 3.43Å
830R91.1Very high71.9Confident123 Ų12380 Ų8046%0.46443%0.432SS..Hα-helixtrans-58.4-43.7-179.9-56.9-155.7169.1-158.8-6.2112.7V22 I26 Y832 I833 Q834V22-R830 HydrophobicContact CG1-CB 4.45Å; I26-R830 HydrophobicContact CD1-CB 4.2Å; I26-R830 HydrophobicContact CD1-CG 3.54Å; R830-Y832 VanDerWaalsContact C-N 3.34Å; R830-I833 PolarHBondContact O-N 3.31Å; R830-Q834 WeakPolarHBondContact O-CB 3.49Å; R830-Q834 PolarHBondContact O-N 2.99Å
831N90.8Very high74.5Confident105 Ų10573.1 Ų73.156%0.56139%0.39SS*.Hα-helixtrans-69.8-39.6-175.7-66-25.8000109.7D829 Q834 D835D829-N831 VanDerWaalsContact C-N 3.33Å; D829-N831 PolarHBondContact O-N 2.64Å; D829-N831 PolarHBondContact OD1-N 3.27Å; N831-Q834 WeakPolarHBondContact O-CB 3.34Å; N831-Q834 PolarHBondContact O-N 3.29Å; N831-D835 PolarHBondContact O-N 3.44Å
832Y90.6Very high77.4Confident46 Ų4668.8 Ų68.818%0.1836%0.363CS..Hα-helixtrans-67.3-37.2177.9-171.7-121.2000113.7R810 D812 L813 D829 R830 Q836R810-Y832 HydrophobicContact CB-CE1 3.98Å; R810-Y832 HydrophobicContact CG-CE1 4.19Å; D812-Y832 VanDerWaalsContact C-CD1 3.41Å; D812-Y832 WeakPolarHBondContact O-CD1 3.29Å; D812-Y832 WeakPolarHBondContact O-CE1 3.27Å; L813-Y832 HydrophobicContact CD1-CD1 4.25Å; L813-Y832 HydrophobicContact CD1-CD2 3.47Å; L813-Y832 VanDerWaalsContact CD1-CD2 3.47Å; L813-Y832 HydrophobicContact CD1-CE2 4.22Å; L813-Y832 HydrophobicContact CD1-CG 3.5Å; L813-Y832 VanDerWaalsContact CD1-CG 3.5Å; L813-Y832 HydrophobicContact CG-CD2 4.07Å; L813-Y832 HydrophobicContact CG-CE2 4.33Å; L813-Y832 HydrophobicContact CG-CG 4.33Å; D829-Y832 PolarHBondContact O-N 3.06Å; D829-Y832 PolarHBondContact OD1-N 2.67Å; D829-Y832 VanDerWaalsContact OD1-N 3.12Å; R830-Y832 VanDerWaalsContact C-N 3.34Å; Y832-Q836 WeakPolarHBondContact O-CG 3.26Å; Y832-Q836 PolarHBondContact O-N 2.97Å; Y832-Q836 VanDerWaalsContact O-N 3.1Å; Y832-Q836 PolarHBondContact O-NE2 2.76Å; Y832-Q836 VanDerWaalsContact O-NE2 3.14Å
833I92.6Very high80.1Confident0 Ų063.2 Ų63.20%034%0.335CS..Hα-helixtrans-64.3-46.3171.5-68.9175000109.7I26 I809 I828 D829 R830 D835 Q836 L837I26-I833 HydrophobicContact CG1-CD1 4.31Å; I809-I833 HydrophobicContact CG2-CG1 4.32Å; I828-I833 HydrophobicContact CD1-CD1 3.91Å; I828-I833 HydrophobicContact CG1-CD1 4.05Å; I828-I833 HydrophobicContact CG2-CD1 3.92Å; D829-I833 WeakPolarHBondContact O-CG1 3.34Å; D829-I833 PolarHBondContact O-N 3.43Å; R830-I833 PolarHBondContact O-N 3.31Å; I833-D835 VanDerWaalsContact C-N 3.34Å; I833-D835 PolarHBondContact O-N 2.85Å; I833-Q836 PolarHBondContact O-N 3.44Å; I833-L837 HydrophobicContact CG2-CD1 3.97Å; I833-L837 HydrophobicContact CG2-CG 4.27Å; I833-L837 VanDerWaalsContact O-CG 3.31Å; I833-L837 WeakPolarHBondContact O-CG 3.22Å; I833-L837 PolarHBondContact O-N 3.19Å
834Q92.5Very high82.3Confident68 Ų6855.5 Ų55.532%0.31830%0.295SS..Hα-helixtrans-57-46.9178.1-179.1173.7-37.700112.2V18 V22 R830 N831 Q836 L837 L838V18-Q834 HydrophobicContact CG1-CG 3.61Å; V22-Q834 HydrophobicContact CG2-CB 3.94Å; V22-Q834 HydrophobicContact CG2-CG 4.39Å; R830-Q834 WeakPolarHBondContact O-CB 3.49Å; R830-Q834 PolarHBondContact O-N 2.99Å; N831-Q834 WeakPolarHBondContact O-CB 3.34Å; N831-Q834 PolarHBondContact O-N 3.29Å; Q834-Q836 VanDerWaalsContact C-N 3.34Å; Q834-Q836 PolarHBondContact O-N 2.91Å; Q834-L837 PolarHBondContact O-N 3.25Å; Q834-L838 WeakPolarHBondContact O-CB 3.13Å; Q834-L838 PolarHBondContact O-N 2.85Å
835D89.5Confident84.7Confident73 Ų7351.8 Ų51.839%0.3927%0.268SS..Hα-helixtrans-62.5-40.8178.6-73.3-17.6000111.6N831 I833 L838 N839N831-D835 PolarHBondContact O-N 3.44Å; I833-D835 VanDerWaalsContact C-N 3.34Å; I833-D835 PolarHBondContact O-N 2.85Å; D835-L838 PolarHBondContact O-N 3.28Å; D835-N839 VanDerWaalsContact O-CB 3.25Å; D835-N839 WeakPolarHBondContact O-CB 3.26Å; D835-N839 VanDerWaalsContact O-CG 3.23Å; D835-N839 PolarHBondContact O-N 2.93Å; D835-N839 PolarHBondContact O-ND2 3.17Å
836Q92.4Very high87Confident19 Ų1944.7 Ų44.79%0.08923%0.232CC..Hα-helixtrans-64-42.7174.8-76.9174.996.500112.2T101 R810 Y832 I833 Q834 L838 S840T101-Q836 HydrophobicContact CG2-CG 4.41Å; T101-Q836 PolarHBondContact OG1-OE1 3.19Å; R810-Q836 PolarHBondContact O-NE2 2.81Å; Y832-Q836 WeakPolarHBondContact O-CG 3.26Å; Y832-Q836 PolarHBondContact O-N 2.97Å; Y832-Q836 VanDerWaalsContact O-N 3.1Å; Y832-Q836 PolarHBondContact O-NE2 2.76Å; Y832-Q836 VanDerWaalsContact O-NE2 3.14Å; I833-Q836 PolarHBondContact O-N 3.44Å; Q834-Q836 VanDerWaalsContact C-N 3.34Å; Q834-Q836 PolarHBondContact O-N 2.91Å; Q836-L838 VanDerWaalsContact C-N 3.35Å; Q836-S840 WeakPolarHBondContact O-CB 3.34Å; Q836-S840 PolarHBondContact O-N 2.97Å; Q836-S840 PolarHBondContact O-OG 3.05Å
837L92.5Very high88.3Confident1 Ų144.5 Ų44.51%0.00522%0.221CC..Hα-helixtrans-64.2-39.6177.8-68.6173.2000112.1V21 V22 L25 L44 I809 I833 Q834 S840 L842 L843V21-L837 HydrophobicContact CG1-CD1 4.09Å; V22-L837 HydrophobicContact CG2-CD1 3.77Å; L25-L837 HydrophobicContact CD1-CD1 3.85Å; L25-L837 HydrophobicContact CD1-CD2 3.99Å; L25-L837 HydrophobicContact CD1-CG 4.48Å; L44-L837 HydrophobicContact CD2-CD2 4.04Å; I809-L837 HydrophobicContact CD1-CD2 3.62Å; I809-L837 HydrophobicContact CD1-CG 4.48Å; I833-L837 HydrophobicContact CG2-CD1 3.97Å; I833-L837 HydrophobicContact CG2-CG 4.27Å; I833-L837 VanDerWaalsContact O-CG 3.31Å; I833-L837 WeakPolarHBondContact O-CG 3.22Å; I833-L837 PolarHBondContact O-N 3.19Å; Q834-L837 PolarHBondContact O-N 3.25Å; L837-S840 PolarHBondContact O-OG 3.22Å; L837-L842 HydrophobicContact CD2-CB 4.27Å; L837-L842 HydrophobicContact CD2-CD1 3.66Å; L837-L842 PolarHBondContact O-N 3.43Å; L837-L843 HydrophobicContact CB-CD1 4.29Å; L837-L843 HydrophobicContact CB-CD2 4.27Å; L837-L843 HydrophobicContact CB-CG 4.02Å; L837-L843 PolarHBondContact O-N 2.81Å
838L88.9Confident88.8Confident95 Ų9538.7 Ų38.750%0.49719%0.191SC..Hα-helixtrans-67.4-55.1177.3-177.467.9000111.1Q834 D835 Q836 S840 G841 L843Q834-L838 WeakPolarHBondContact O-CB 3.13Å; Q834-L838 PolarHBondContact O-N 2.85Å; D835-L838 PolarHBondContact O-N 3.28Å; Q836-L838 VanDerWaalsContact C-N 3.35Å; L838-S840 PolarHBondContact O-N 3.49Å; L838-G841 PolarHBondContact O-N 3.41Å; L838-L843 HydrophobicContact CB-CD1 4.12Å; L838-L843 HydrophobicContact CD1-CD1 4.14Å
839N87.2Confident88.8Confident59 Ų5939.1 Ų39.132%0.31619%0.193SC..Hα-helixtrans-67.8-36.8-173.4-69.9-15.3000112.1Y647 D835 G841Y647-N839 VanDerWaalsContact CD2-O 3.25Å; Y647-N839 WeakPolarHBondContact CD2-O 3.48Å; Y647-N839 VanDerWaalsContact O-CB 3.31Å; Y647-N839 WeakPolarHBondContact O-CB 3.49Å; D835-N839 VanDerWaalsContact O-CB 3.25Å; D835-N839 WeakPolarHBondContact O-CB 3.26Å; D835-N839 VanDerWaalsContact O-CG 3.23Å; D835-N839 PolarHBondContact O-N 2.93Å; D835-N839 PolarHBondContact O-ND2 3.17Å; N839-G841 PolarHBondContact O-N 3.1Å; N839-G841 VanDerWaalsContact O-N 3.12Å
840S88.5Confident88.4Confident18 Ų1840.4 Ų40.413%0.12619%0.194CC..THydrogen-bonded Turntrans-68.9-5.8177.862.20000114.8H465 Q836 L837 L838 L842H465-S840 PolarHBondContact CE1-O 2.66Å; Q836-S840 WeakPolarHBondContact O-CB 3.34Å; Q836-S840 PolarHBondContact O-N 2.97Å; Q836-S840 PolarHBondContact O-OG 3.05Å; L837-S840 PolarHBondContact O-OG 3.22Å; L838-S840 PolarHBondContact O-N 3.49Å; S840-L842 PolarHBondContact O-N 2.97Å; S840-L842 WeakPolarHBondContact OG-CD1 3.38Å; S840-L842 WeakPolarHBondContact OG-CG 3.36Å
841G87.1Confident87.6Confident0 Ų035.6 Ų35.60%018%0.179CC..THydrogen-bonded Turntrans74.79.1-175.900000114.1L838 N839 L843 A844 A845L838-G841 PolarHBondContact O-N 3.41Å; N839-G841 PolarHBondContact O-N 3.1Å; N839-G841 VanDerWaalsContact O-N 3.12Å; G841-L843 PolarHBondContact O-N 3.21Å; G841-A844 PolarHBondContact O-N 3.35Å; G841-A845 WeakPolarHBondContact O-CB 3.36Å; G841-A845 PolarHBondContact O-N 3.15Å
842L91.7Very high86.9Confident5 Ų531.7 Ų31.73%0.02616%0.159CC..Hα-helixtrans-64.1-38.8179.3-80.4172.1000112.4L38 I42 L44 F468 R807 I809 L837 S840 A845 L846L38-L842 HydrophobicContact CD2-CD2 3.61Å; I42-L842 HydrophobicContact CG2-CD2 4.11Å; L44-L842 HydrophobicContact CD1-CD2 3.92Å; L44-L842 HydrophobicContact CD2-CD1 4.05Å; L44-L842 HydrophobicContact CG-CD1 4.04Å; L44-L842 HydrophobicContact CG-CD2 4.32Å; F468-L842 HydrophobicContact CZ-CD2 4.33Å; R807-L842 HydrophobicContact CB-CD1 3.99Å; R807-L842 HydrophobicContact CB-CD2 4.21Å; R807-L842 HydrophobicContact CB-CG 4.47Å; R807-L842 HydrophobicContact CG-CD1 4.35Å; R807-L842 HydrophobicContact CG-CD2 3.89Å; R807-L842 HydrophobicContact CG-CG 4.3Å; I809-L842 HydrophobicContact CD1-CD1 4.32Å; L837-L842 HydrophobicContact CD2-CB 4.27Å; L837-L842 HydrophobicContact CD2-CD1 3.66Å; L837-L842 PolarHBondContact O-N 3.43Å; S840-L842 PolarHBondContact O-N 2.97Å; S840-L842 WeakPolarHBondContact OG-CD1 3.38Å; S840-L842 WeakPolarHBondContact OG-CG 3.36Å; L842-A845 PolarHBondContact O-N 3.05Å; L842-L846 WeakPolarHBondContact O-CB 3.07Å; L842-L846 PolarHBondContact O-N 2.81Å
843L89.9Confident86.5Confident25 Ų2530.5 Ų30.513%0.13116%0.155CC..Hα-helixtrans-67.6-39.7176.6-63.6176.9000112V18 V21 L837 L838 G841 L846 E847V18-L843 HydrophobicContact CG1-CD1 3.9Å; V18-L843 HydrophobicContact CG2-CD1 3.97Å; V21-L843 HydrophobicContact CG1-CD2 4.33Å; L837-L843 HydrophobicContact CB-CD1 4.29Å; L837-L843 HydrophobicContact CB-CD2 4.27Å; L837-L843 HydrophobicContact CB-CG 4.02Å; L837-L843 PolarHBondContact O-N 2.81Å; L838-L843 HydrophobicContact CB-CD1 4.12Å; L838-L843 HydrophobicContact CD1-CD1 4.14Å; G841-L843 PolarHBondContact O-N 3.21Å; L843-L846 WeakPolarHBondContact O-CB 3.5Å; L843-L846 PolarHBondContact O-N 2.84Å; L843-E847 PolarHBondContact O-N 3.23Å
844A85.1Confident85.7Confident10 Ų1033.3 Ų33.38%0.08317%0.166CC..Hα-helixtrans-66.2-42.2174.600000111.6M469 L520 G841 L846 E847 V848M469-A844 HydrophobicContact CE-CB 4.37Å; L520-A844 HydrophobicContact CD2-CB 4.01Å; G841-A844 PolarHBondContact O-N 3.35Å; A844-L846 VanDerWaalsContact C-N 3.32Å; A844-L846 PolarHBondContact O-N 3.41Å; A844-E847 PolarHBondContact O-N 2.86Å; A844-V848 WeakPolarHBondContact O-CG2 3.27Å; A844-V848 PolarHBondContact O-N 2.82Å
845A88.1Confident85.1Confident0 Ų030.6 Ų30.60%016%0.155CC..Hα-helixtrans-61.4-40173.500000111.8L38 I42 F468 A472 V473 G841 L842 V848 L849L38-A845 HydrophobicContact CD2-CB 4.23Å; I42-A845 HydrophobicContact CD1-CB 4.47Å; F468-A845 HydrophobicContact CE1-CB 4.4Å; F468-A845 HydrophobicContact CZ-CB 4.11Å; A472-A845 HydrophobicContact CB-CB 4.2Å; V473-A845 HydrophobicContact CG2-CB 4.37Å; G841-A845 WeakPolarHBondContact O-CB 3.36Å; G841-A845 PolarHBondContact O-N 3.15Å; L842-A845 PolarHBondContact O-N 3.05Å; A845-V848 PolarHBondContact O-N 3.09Å; A845-L849 VanDerWaalsContact O-CB 3.26Å; A845-L849 WeakPolarHBondContact O-CB 3.43Å; A845-L849 WeakPolarHBondContact O-CG 3.39Å; A845-L849 PolarHBondContact O-N 3.31Å
846L88.8Confident84.9Confident5 Ų532.2 Ų32.23%0.02616%0.159CC..Hα-helixtrans-61.3-46.4174.9176.863.5000112.2L10 L11 P16 V21 L38 L842 L843 A844 R850L10-L846 HydrophobicContact CB-CD1 3.91Å; L11-L846 HydrophobicContact CD2-CD1 3.79Å; P16-L846 HydrophobicContact CB-CD2 3.85Å; V21-L846 HydrophobicContact CG2-CD2 3.64Å; L38-L846 HydrophobicContact CD1-CB 3.88Å; L38-L846 HydrophobicContact CD1-CD1 3.5Å; L38-L846 HydrophobicContact CD1-CG 4.28Å; L842-L846 WeakPolarHBondContact O-CB 3.07Å; L842-L846 PolarHBondContact O-N 2.81Å; L843-L846 WeakPolarHBondContact O-CB 3.5Å; L843-L846 PolarHBondContact O-N 2.84Å; A844-L846 VanDerWaalsContact C-N 3.32Å; A844-L846 PolarHBondContact O-N 3.41Å; L846-R850 HydrophobicContact CD1-CG 4.33Å; L846-R850 WeakPolarHBondContact O-CB 3.17Å; L846-R850 VanDerWaalsContact O-CG 3.28Å; L846-R850 WeakPolarHBondContact O-CG 3.4Å; L846-R850 PolarHBondContact O-N 2.92Å
847E83.6Confident84.5Confident86 Ų8632.9 Ų32.940%0.40216%0.161SC..Hα-helixtrans-61-45.8177.9-167.6172.3-169.600111.3L516 L843 A844 S851L516-E847 HydrophobicContact CD1-CG 3.73Å; L516-E847 WeakPolarHBondContact CD1-OE1 3.49Å; L843-E847 PolarHBondContact O-N 3.23Å; A844-E847 PolarHBondContact O-N 2.86Å; E847-S851 PolarHBondContact O-N 2.83Å
848V80.8Confident84.2Confident0 Ų035.2 Ų35.20%018%0.175CC..Hα-helixtrans-64.5-50.4177.61700000111.8V473 A476 W477 L520 A844 A845 R850 S851 T852V473-V848 HydrophobicContact CB-CG1 4.47Å; V473-V848 HydrophobicContact CB-CG2 4.13Å; V473-V848 HydrophobicContact CG1-CB 4.29Å; V473-V848 HydrophobicContact CG1-CG1 4.22Å; V473-V848 HydrophobicContact CG1-CG2 3.42Å; V473-V848 VanDerWaalsContact CG1-CG2 3.42Å; V473-V848 HydrophobicContact CG2-CB 4.3Å; V473-V848 HydrophobicContact CG2-CG2 3.93Å; A476-V848 HydrophobicContact CB-CG1 4.18Å; W477-V848 HydrophobicContact CH2-CG2 4.12Å; W477-V848 HydrophobicContact CZ2-CB 4.21Å; W477-V848 HydrophobicContact CZ2-CG1 4.18Å; W477-V848 HydrophobicContact CZ2-CG2 3.39Å; L520-V848 HydrophobicContact CD2-CG2 4.47Å; A844-V848 WeakPolarHBondContact O-CG2 3.27Å; A844-V848 PolarHBondContact O-N 2.82Å; A845-V848 PolarHBondContact O-N 3.09Å; V848-R850 VanDerWaalsContact C-N 3.25Å; V848-R850 PolarHBondContact O-N 2.82Å; V848-S851 CarbonylContact O-C 3.22Å; V848-S851 WeakPolarHBondContact O-CA 3.47Å; V848-S851 WeakPolarHBondContact O-CB 3.28Å; V848-S851 PolarHBondContact O-N 2.85Å; V848-S851 PolarHBondContact O-OG 3.43Å; V848-T852 HydrophobicContact CG1-CG2 4.37Å; V848-T852 WeakPolarHBondContact O-CG2 3.46Å; V848-T852 PolarHBondContact O-N 3.12Å
849L84Confident84.2Confident34 Ų3430.8 Ų30.818%0.17815%0.152CC..Hα-helixtrans-64.6-30.7-176.8-71.8171.9000112.2L11 L38 I42 A845 S851 T852L11-L849 HydrophobicContact CD2-CB 3.83Å; L38-L849 HydrophobicContact CD1-CD1 4.35Å; L38-L849 HydrophobicContact CG-CD1 4.08Å; I42-L849 HydrophobicContact CD1-CD1 4.09Å; A845-L849 VanDerWaalsContact O-CB 3.26Å; A845-L849 WeakPolarHBondContact O-CB 3.43Å; A845-L849 WeakPolarHBondContact O-CG 3.39Å; A845-L849 PolarHBondContact O-N 3.31Å; L849-S851 VanDerWaalsContact C-N 3.32Å; L849-T852 WeakPolarHBondContact CA-OG1 3.23Å; L849-T852 PolarHBondContact O-N 2.92Å; L849-T852 VanDerWaalsContact O-N 3.16Å; L849-T852 PolarHBondContact O-OG1 3.06Å
850R79.8Confident84.1Confident77 Ų7734.3 Ų34.329%0.29116%0.164SC..Hα-helixtrans-68.4-32.3170.9-74.6-178.272.3101-7.7113.3L11 L13 S14 L846 V848 T852L11-R850 HydrophobicContact CD2-CG 3.61Å; L11-R850 PolarHBondContact O-NH1 2.76Å; L13-R850 PolarHBondContact O-NH1 3.02Å; L13-R850 PolarHBondContact O-NH2 2.85Å; S14-R850 PolarHBondContact O-NH2 2.98Å; L846-R850 HydrophobicContact CD1-CG 4.33Å; L846-R850 WeakPolarHBondContact O-CB 3.17Å; L846-R850 VanDerWaalsContact O-CG 3.28Å; L846-R850 WeakPolarHBondContact O-CG 3.4Å; L846-R850 PolarHBondContact O-N 2.92Å; V848-R850 VanDerWaalsContact C-N 3.25Å; V848-R850 PolarHBondContact O-N 2.82Å; R850-T852 PolarHBondContact O-N 2.87Å
851S75.5Confident83.9Confident21 Ų2138 Ų3815%0.14718%0.179CC..THydrogen-bonded Turntrans-78.47.5172.4750000113.3W477 V490 E847 V848 L849W477-S851 PolarHBondContact NE1-OG 3.19Å; V490-S851 VanDerWaalsContact CG1-C 3.45Å; V490-S851 WeakPolarHBondContact CG1-O 3.46Å; V490-S851 WeakPolarHBondContact CG2-O 3.44Å; E847-S851 PolarHBondContact O-N 2.83Å; V848-S851 CarbonylContact O-C 3.22Å; V848-S851 WeakPolarHBondContact O-CA 3.47Å; V848-S851 WeakPolarHBondContact O-CB 3.28Å; V848-S851 PolarHBondContact O-N 2.85Å; V848-S851 PolarHBondContact O-OG 3.43Å; L849-S851 VanDerWaalsContact C-N 3.32Å
852T76.8Confident83.9Confident23 Ų2338 Ų3814%0.14118%0.179CC..SBendtrans-119.6164.3179.268.60000110.8A476 L480 V848 L849 R850A476-T852 HydrophobicContact CB-CG2 4.08Å; L480-T852 HydrophobicContact CD1-CG2 3.78Å; V848-T852 HydrophobicContact CG1-CG2 4.37Å; V848-T852 WeakPolarHBondContact O-CG2 3.46Å; V848-T852 PolarHBondContact O-N 3.12Å; L849-T852 WeakPolarHBondContact CA-OG1 3.23Å; L849-T852 PolarHBondContact O-N 2.92Å; L849-T852 VanDerWaalsContact O-N 3.16Å; L849-T852 PolarHBondContact O-OG1 3.06Å; R850-T852 PolarHBondContact O-N 2.87Å
853Y80.4Confident83.6Confident21 Ų2138.8 Ų38.88%0.08218%0.184CC..  trans-75.1145.4174.8-66.5-80.7000111.2L480 L485 S489 V490 L493 H968 Q969 H976 T978L480-Y853 HydrophobicContact CD2-CD2 3.82Å; L480-Y853 HydrophobicContact CD2-CE2 4.25Å; L485-Y853 HydrophobicContact CD1-CD2 4.2Å; L485-Y853 HydrophobicContact CD1-CE2 3.79Å; S489-Y853 PolarHBondContact OG-OH 3.49Å; V490-Y853 HydrophobicContact CG2-CE2 4.34Å; L493-Y853 HydrophobicContact CD1-CE1 4.46Å; Y853-H968 PolarHBondContact OH-O 3.48Å; Y853-Q969 HydrophobicContact CE1-CB 4.22Å; Y853-Q969 HydrophobicContact CE1-CG 3.71Å; Y853-H976 HydrophobicContact CD1-CB 4.04Å; Y853-H976 HydrophobicContact CD2-CB 3.47Å; Y853-H976 VanDerWaalsContact CD2-CB 3.47Å; Y853-H976 AromaticContact CD2-CD2 4Å; Y853-H976 AromaticContact CD2-CG 3.96Å; Y853-H976 HydrophobicContact CE2-CB 4.09Å; Y853-H976 HydrophobicContact CG-CB 3.45Å; Y853-H976 VanDerWaalsContact CG-CB 3.45Å; Y853-T978 HydrophobicContact CD1-CG2 4.17Å; Y853-T978 HydrophobicContact CE1-CG2 4.26Å
854Y77Confident83.3Confident59 Ų5941.9 Ų41.923%0.23120%0.2CC..SBendtrans-70.6-41.1-174.4177.6-97.3000112.9L977 K979 F982Y854-L977 PolarHBondContact N-O 3.5Å; Y854-K979 HydrophobicContact CD1-CB 4.34Å; Y854-K979 HydrophobicContact CD1-CG 4.21Å; Y854-K979 HydrophobicContact CD2-CB 3.97Å; Y854-K979 HydrophobicContact CD2-CD 3.73Å; Y854-K979 HydrophobicContact CD2-CG 3.78Å; Y854-K979 HydrophobicContact CE1-CG 4.41Å; Y854-K979 HydrophobicContact CE2-CD 3.79Å; Y854-K979 HydrophobicContact CE2-CG 4.01Å; Y854-K979 HydrophobicContact CG-CB 3.77Å; Y854-K979 HydrophobicContact CG-CD 4.35Å; Y854-K979 HydrophobicContact CG-CG 3.88Å; Y854-F982 HydrophobicContact CD1-CB 3.86Å; Y854-F982 AromaticContact CD1-CD1 3.86Å; Y854-F982 HydrophobicContact CD1-CD1 3.86Å; Y854-F982 HydrophobicContact CD1-CD2 4.41Å; Y854-F982 AromaticContact CD1-CG 3.76Å; Y854-F982 HydrophobicContact CD1-CG 3.76Å; Y854-F982 HydrophobicContact CE1-CB 4.34Å; Y854-F982 AromaticContact CE1-CD1 3.45Å; Y854-F982 HydrophobicContact CE1-CD1 3.45Å; Y854-F982 VanDerWaalsContact CE1-CD1 3.45Å; Y854-F982 HydrophobicContact CE1-CD2 4.46Å; Y854-F982 AromaticContact CE1-CE1 3.88Å; Y854-F982 HydrophobicContact CE1-CE1 3.88Å; Y854-F982 AromaticContact CE1-CG 3.81Å; Y854-F982 HydrophobicContact CE1-CG 3.81Å
855A79.5Confident83.2Confident12 Ų1244.2 Ų44.210%0.09921%0.209CC..EExtended strand (participates in β ladder)trans-132.2147.6-179.800000110.6Y857 H976 L977 F982A855-Y857 HydrophobicContact CB-CE2 4.32Å; A855-H976 CarbonylContact O-C 3.54Å; A855-H976 WeakPolarHBondContact O-CA 3.48Å; A855-L977 HydrophobicContact CB-CB 4.36Å; A855-L977 PolarHBondContact N-O 2.81Å; A855-L977 VanDerWaalsContact N-O 3.15Å; A855-L977 PolarHBondContact O-N 3.08Å; A855-F982 HydrophobicContact CB-CB 4.25Å; A855-F982 HydrophobicContact CB-CD2 3.32Å; A855-F982 HydrophobicContact CB-CE2 3.96Å; A855-F982 HydrophobicContact CB-CG 3.99Å
856K84.9Confident83.1Confident106 Ų10644.2 Ų44.246%0.46121%0.209SC..EExtended strand (participates in β ladder)trans-131.1144.4174.964.2-179.8179178.60109.7E479 I975E479-K856 WeakPolarHBondContact OE1-CD 3.35Å; E479-K856 IonicContact OE1-NZ 2.8Å; E479-K856 PolarHBondContact OE1-NZ 3.39Å; E479-K856 IonicContact OE2-NZ 2.75Å; E479-K856 PolarHBondContact OE2-NZ 3.06Å; K856-I975 WeakPolarHBondContact CA-O 3.48Å
857Y84Confident82.8Confident34 Ų3451.6 Ų51.613%0.13324%0.237CC..EExtended strand (participates in β ladder)trans-138.3136.6173.8-67.6-75000109.6A855 E861 F862 Q865 Y866 C974 I975 L977 F982A855-Y857 HydrophobicContact CB-CE2 4.32Å; Y857-E861 HydrophobicContact CD1-CB 4.15Å; Y857-F862 AromaticContact CD2-CD2 3.75Å; Y857-F862 HydrophobicContact CD2-CD2 3.75Å; Y857-F862 HydrophobicContact CD2-CE2 4.42Å; Y857-F862 HydrophobicContact CE2-CD2 4.49Å; Y857-F862 HydrophobicContact CG-CB 4.4Å; Y857-F862 HydrophobicContact CG-CD2 4.1Å; Y857-Q865 PolarHBondContact OH-NE2 3.33Å; Y857-Q865 PolarHBondContact OH-OE1 2.99Å; Y857-Y866 HydrophobicContact CD2-CE2 4.28Å; Y857-Y866 AromaticContact CE2-CE2 3.79Å; Y857-Y866 HydrophobicContact CE2-CE2 3.79Å; Y857-Y866 PolarHBondContact OH-OH 3.39Å; Y857-C974 CarbonylContact O-C 3.54Å; Y857-C974 WeakPolarHBondContact O-CA 3.44Å; Y857-C974 VanDerWaalsContact O-CB 3.28Å; Y857-C974 WeakPolarHBondContact O-CB 3.42Å; Y857-I975 PolarHBondContact N-O 3.1Å; Y857-I975 PolarHBondContact O-N 2.83Å; Y857-L977 HydrophobicContact CD2-CD1 3.9Å; Y857-L977 HydrophobicContact CE2-CD1 3.82Å; Y857-F982 HydrophobicContact CE2-CD2 4.38Å; Y857-F982 HydrophobicContact CE2-CE2 4.4Å; Y857-F982 WeakPolarHBondContact OH-CE2 3.46Å
858T87.7Confident82.6Confident50 Ų5048.3 Ų48.331%0.30722%0.223SC..EExtended strand (participates in β ladder)trans-57.8149159.164.40000108.5K860 E861 F862T858-K860 PolarHBondContact O-N 3.16Å; T858-K860 VanDerWaalsContact O-N 3.14Å; T858-E861 WeakPolarHBondContact CB-OE2 3.35Å; T858-E861 WeakPolarHBondContact CG2-OE2 3.42Å; T858-E861 PolarHBondContact N-OE2 3.48Å; T858-E861 PolarHBondContact O-N 3.27Å; T858-E861 WeakPolarHBondContact OG1-CB 3.47Å; T858-E861 WeakPolarHBondContact OG1-CG 3.45Å; T858-E861 PolarHBondContact OG1-N 3.23Å; T858-E861 PolarHBondContact OG1-OE2 2.91Å; T858-F862 PolarHBondContact O-N 3.4Å
859Y86.9Confident82.3Confident1 Ų148.3 Ų48.30%0.00422%0.223CC..Hα-helixtrans-57.3-35.2-179.9-60.3-68.5000112.2F862 I863 I920 Q923 Q924 V927 F970 G971 T973 C974 I975Y859-F862 PolarHBondContact O-N 3.19Å; Y859-I863 WeakPolarHBondContact O-CB 3.09Å; Y859-I863 WeakPolarHBondContact O-CD1 3.21Å; Y859-I863 WeakPolarHBondContact O-CG1 3.11Å; Y859-I863 PolarHBondContact O-N 3.25Å; Y859-I920 HydrophobicContact CD2-CG2 3.99Å; Y859-I920 HydrophobicContact CE2-CG2 4.09Å; Y859-Q923 HydrophobicContact CG-CB 4.38Å; Y859-Q924 HydrophobicContact CD1-CG 4.03Å; Y859-Q924 HydrophobicContact CD2-CG 3.6Å; Y859-Q924 HydrophobicContact CE1-CG 3.64Å; Y859-Q924 HydrophobicContact CE2-CG 3.15Å; Y859-Q924 VanDerWaalsContact CE2-NE2 3.3Å; Y859-Q924 HydrophobicContact CG-CG 4.01Å; Y859-Q924 WeakPolarHBondContact OH-CG 3.22Å; Y859-Q924 PolarHBondContact OH-NE2 3.1Å; Y859-V927 HydrophobicContact CD1-CB 4.24Å; Y859-V927 HydrophobicContact CD1-CG2 3.99Å; Y859-F970 AromaticContact CE1-CD1 3.78Å; Y859-F970 HydrophobicContact CE1-CD1 3.78Å; Y859-F970 HydrophobicContact CE1-CE1 4.15Å; Y859-G971 PolarHBondContact OH-O 3.19Å; Y859-T973 WeakPolarHBondContact CD2-O 3.28Å; Y859-T973 WeakPolarHBondContact CE2-O 3.25Å; Y859-T973 PolarHBondContact N-O 3.23Å; Y859-C974 PolarHBondContact OH-O 2.95Å; Y859-I975 HydrophobicContact CD1-CB 4.36Å; Y859-I975 HydrophobicContact CE1-CB 3.96Å
860K85.9Confident81.6Confident133 Ų13352.1 Ų52.158%0.57824%0.235SC*.Hα-helixtrans-60.6-47.9173.5-175.1-177176.7-172.50112.7T858 I863 N864T858-K860 PolarHBondContact O-N 3.16Å; T858-K860 VanDerWaalsContact O-N 3.14Å; K860-I863 PolarHBondContact O-N 3.1Å; K860-N864 VanDerWaalsContact O-CG 3.29Å; K860-N864 PolarHBondContact O-N 3.42Å; K860-N864 PolarHBondContact O-ND2 3.4Å
861E84.8Confident80.8Confident96 Ų9653.2 Ų53.245%0.44924%0.243SC..Hα-helixtrans-64.2-45.1177.9-74.9158.5166.100111.4Y857 T858 I863 N864 Q865Y857-E861 HydrophobicContact CD1-CB 4.15Å; T858-E861 WeakPolarHBondContact CB-OE2 3.35Å; T858-E861 WeakPolarHBondContact CG2-OE2 3.42Å; T858-E861 PolarHBondContact N-OE2 3.48Å; T858-E861 PolarHBondContact O-N 3.27Å; T858-E861 WeakPolarHBondContact OG1-CB 3.47Å; T858-E861 WeakPolarHBondContact OG1-CG 3.45Å; T858-E861 PolarHBondContact OG1-N 3.23Å; T858-E861 PolarHBondContact OG1-OE2 2.91Å; E861-I863 VanDerWaalsContact C-N 3.3Å; E861-I863 PolarHBondContact O-N 2.98Å; E861-N864 PolarHBondContact O-N 3.1Å; E861-N864 VanDerWaalsContact O-N 3.11Å; E861-Q865 VanDerWaalsContact O-CB 3.32Å; E861-Q865 WeakPolarHBondContact O-CB 3.44Å; E861-Q865 PolarHBondContact O-N 3.08Å
862F87.1Confident79.9Confident0 Ų055.2 Ų55.20%025%0.252CS..Hα-helixtrans-57.1-46.5178.4-168.7-97.6000111Y857 T858 Y859 Q865 Y866 V927 M930 L931 I975 L977 L985Y857-F862 AromaticContact CD2-CD2 3.75Å; Y857-F862 HydrophobicContact CD2-CD2 3.75Å; Y857-F862 HydrophobicContact CD2-CE2 4.42Å; Y857-F862 HydrophobicContact CE2-CD2 4.49Å; Y857-F862 HydrophobicContact CG-CB 4.4Å; Y857-F862 HydrophobicContact CG-CD2 4.1Å; T858-F862 PolarHBondContact O-N 3.4Å; Y859-F862 PolarHBondContact O-N 3.19Å; F862-Q865 PolarHBondContact O-N 3.3Å; F862-Y866 HydrophobicContact CD1-CD2 4.37Å; F862-Y866 AromaticContact CD2-CD2 3.42Å; F862-Y866 HydrophobicContact CD2-CD2 3.42Å; F862-Y866 VanDerWaalsContact CD2-CD2 3.42Å; F862-Y866 AromaticContact CD2-CE2 3.69Å; F862-Y866 HydrophobicContact CD2-CE2 3.69Å; F862-Y866 HydrophobicContact CE1-CD2 4.35Å; F862-Y866 AromaticContact CE2-CD2 3.33Å; F862-Y866 HydrophobicContact CE2-CD2 3.33Å; F862-Y866 AromaticContact CE2-CE2 3.56Å; F862-Y866 HydrophobicContact CE2-CE2 3.56Å; F862-Y866 HydrophobicContact CE2-CG 4.22Å; F862-Y866 AromaticContact CG-CD2 3.96Å; F862-Y866 HydrophobicContact CG-CD2 3.96Å; F862-Y866 AromaticContact CZ-CD2 3.84Å; F862-Y866 HydrophobicContact CZ-CD2 3.84Å; F862-Y866 HydrophobicContact CZ-CE2 4.41Å; F862-Y866 HydrophobicContact CZ-CG 4.33Å; F862-Y866 WeakPolarHBondContact O-CB 3.3Å; F862-Y866 WeakPolarHBondContact O-CD2 3.29Å; F862-Y866 PolarHBondContact O-N 2.93Å; F862-V927 HydrophobicContact CB-CG2 4.45Å; F862-V927 HydrophobicContact CD1-CB 4.25Å; F862-V927 HydrophobicContact CD1-CG1 3.57Å; F862-V927 HydrophobicContact CD1-CG2 3.71Å; F862-V927 HydrophobicContact CE1-CG1 3.63Å; F862-V927 HydrophobicContact CE1-CG2 4.49Å; F862-V927 HydrophobicContact CG-CG1 4.47Å; F862-V927 HydrophobicContact CG-CG2 4.48Å; F862-M930 HydrophobicContact CD1-CE 3.76Å; F862-M930 HydrophobicContact CE1-CE 3.24Å; F862-M930 HydrophobicContact CZ-CE 4.13Å; F862-L931 HydrophobicContact CE1-CD1 4.47Å; F862-L931 HydrophobicContact CE1-CD2 4.2Å; F862-L931 HydrophobicContact CE1-CG 4.28Å; F862-L931 HydrophobicContact CZ-CD2 3.97Å; F862-L931 HydrophobicContact CZ-CG 4.45Å; F862-I975 HydrophobicContact CB-CG2 3.93Å; F862-I975 HydrophobicContact CD1-CG2 4.37Å; F862-I975 HydrophobicContact CD2-CG2 3.57Å; F862-I975 HydrophobicContact CE2-CG2 4.18Å; F862-I975 HydrophobicContact CG-CG2 3.69Å; F862-L977 HydrophobicContact CE2-CD1 4Å; F862-L977 HydrophobicContact CE2-CD2 4.46Å; F862-L985 HydrophobicContact CE2-CD1 4.03Å; F862-L985 HydrophobicContact CZ-CD1 4.05Å
863I85.5Confident78.6Confident22 Ų2257.1 Ų57.111%0.11326%0.261CS..Hα-helixtrans-59.4-50.4175.3-68.7169.4000110.5Y859 K860 E861 Q865 Y866 R867 Q923 F926 V927Y859-I863 WeakPolarHBondContact O-CB 3.09Å; Y859-I863 WeakPolarHBondContact O-CD1 3.21Å; Y859-I863 WeakPolarHBondContact O-CG1 3.11Å; Y859-I863 PolarHBondContact O-N 3.25Å; K860-I863 PolarHBondContact O-N 3.1Å; E861-I863 VanDerWaalsContact C-N 3.3Å; E861-I863 PolarHBondContact O-N 2.98Å; I863-Q865 VanDerWaalsContact C-N 3.26Å; I863-Q865 PolarHBondContact O-N 2.96Å; I863-Y866 PolarHBondContact O-N 3.22Å; I863-R867 WeakPolarHBondContact O-CA 3.42Å; I863-R867 WeakPolarHBondContact O-CB 3.38Å; I863-R867 WeakPolarHBondContact O-CG 3.29Å; I863-R867 PolarHBondContact O-N 3.26Å; I863-Q923 HydrophobicContact CD1-CB 4Å; I863-Q923 HydrophobicContact CD1-CG 4.16Å; I863-F926 HydrophobicContact CB-CE1 4.49Å; I863-F926 HydrophobicContact CD1-CB 4.22Å; I863-F926 HydrophobicContact CD1-CD1 3.56Å; I863-F926 HydrophobicContact CD1-CE1 4.3Å; I863-F926 HydrophobicContact CD1-CG 4.19Å; I863-F926 HydrophobicContact CG1-CD1 3.57Å; I863-F926 HydrophobicContact CG1-CE1 3.97Å; I863-F926 HydrophobicContact CG2-CD1 4.2Å; I863-F926 HydrophobicContact CG2-CE1 3.85Å; I863-V927 HydrophobicContact CD1-CG2 4.07Å; I863-V927 HydrophobicContact CG1-CG2 3.67Å
864N84.1Confident77Confident89 Ų8961.3 Ų61.348%0.47629%0.291SS..Hα-helixtrans-59.6-38.8-178.9-74.6-22.4000112.5K860 E861K860-N864 VanDerWaalsContact O-CG 3.29Å; K860-N864 PolarHBondContact O-N 3.42Å; K860-N864 PolarHBondContact O-ND2 3.4Å; E861-N864 PolarHBondContact O-N 3.1Å; E861-N864 VanDerWaalsContact O-N 3.11Å
865Q82.7Confident75.4Confident59 Ų5965.7 Ų65.728%0.27631%0.313SS..Hα-helixtrans-81-35-175.3-166.7-173.118.400113.4Y857 E861 F862 I863 K989Y857-Q865 PolarHBondContact OH-NE2 3.33Å; Y857-Q865 PolarHBondContact OH-OE1 2.99Å; E861-Q865 VanDerWaalsContact O-CB 3.32Å; E861-Q865 WeakPolarHBondContact O-CB 3.44Å; E861-Q865 PolarHBondContact O-N 3.08Å; F862-Q865 PolarHBondContact O-N 3.3Å; I863-Q865 VanDerWaalsContact C-N 3.26Å; I863-Q865 PolarHBondContact O-N 2.96Å; Q865-K989 WeakPolarHBondContact O-CD 3.37Å; Q865-K989 WeakPolarHBondContact O-CE 3.26Å; Q865-K989 PolarHBondContact O-NZ 3.46Å
866Y84.8Confident73.7Confident0 Ų067.5 Ų67.50%032%0.324CS..Hα-helixtrans-118.83.4-169.9-63.3-67.7000114.8Y857 F862 I863 V868 F869 L985 K989Y857-Y866 HydrophobicContact CD2-CE2 4.28Å; Y857-Y866 AromaticContact CE2-CE2 3.79Å; Y857-Y866 HydrophobicContact CE2-CE2 3.79Å; Y857-Y866 PolarHBondContact OH-OH 3.39Å; F862-Y866 HydrophobicContact CD1-CD2 4.37Å; F862-Y866 AromaticContact CD2-CD2 3.42Å; F862-Y866 HydrophobicContact CD2-CD2 3.42Å; F862-Y866 VanDerWaalsContact CD2-CD2 3.42Å; F862-Y866 AromaticContact CD2-CE2 3.69Å; F862-Y866 HydrophobicContact CD2-CE2 3.69Å; F862-Y866 HydrophobicContact CE1-CD2 4.35Å; F862-Y866 AromaticContact CE2-CD2 3.33Å; F862-Y866 HydrophobicContact CE2-CD2 3.33Å; F862-Y866 AromaticContact CE2-CE2 3.56Å; F862-Y866 HydrophobicContact CE2-CE2 3.56Å; F862-Y866 HydrophobicContact CE2-CG 4.22Å; F862-Y866 AromaticContact CG-CD2 3.96Å; F862-Y866 HydrophobicContact CG-CD2 3.96Å; F862-Y866 AromaticContact CZ-CD2 3.84Å; F862-Y866 HydrophobicContact CZ-CD2 3.84Å; F862-Y866 HydrophobicContact CZ-CE2 4.41Å; F862-Y866 HydrophobicContact CZ-CG 4.33Å; F862-Y866 WeakPolarHBondContact O-CB 3.3Å; F862-Y866 WeakPolarHBondContact O-CD2 3.29Å; F862-Y866 PolarHBondContact O-N 2.93Å; I863-Y866 PolarHBondContact O-N 3.22Å; Y866-V868 PolarHBondContact O-N 3.33Å; Y866-F869 HydrophobicContact CD1-CD2 4.38Å; Y866-F869 AromaticContact CD1-CE2 3.33Å; Y866-F869 HydrophobicContact CD1-CE2 3.33Å; Y866-F869 AromaticContact CD1-CZ 3.5Å; Y866-F869 HydrophobicContact CD1-CZ 3.5Å; Y866-F869 HydrophobicContact CE1-CE2 4.29Å; Y866-F869 HydrophobicContact CE1-CZ 4.25Å; Y866-F869 HydrophobicContact CG-CD2 4.43Å; Y866-F869 AromaticContact CG-CE2 3.72Å; Y866-F869 HydrophobicContact CG-CE2 3.72Å; Y866-F869 HydrophobicContact CG-CZ 4.32Å; Y866-F869 WeakPolarHBondContact O-CB 3.47Å; Y866-F869 VanDerWaalsContact O-CD2 3.29Å; Y866-F869 WeakPolarHBondContact O-CD2 3.5Å; Y866-F869 WeakPolarHBondContact O-CG 3.16Å; Y866-F869 PolarHBondContact O-N 3.41Å; Y866-L985 HydrophobicContact CD1-CB 4.36Å; Y866-L985 HydrophobicContact CE1-CB 3.82Å; Y866-K989 HydrophobicContact CD1-CB 4.36Å; Y866-K989 HydrophobicContact CD1-CD 4.02Å; Y866-K989 HydrophobicContact CE1-CB 4.45Å; Y866-K989 HydrophobicContact CE1-CD 4.04Å
867R82.8Confident71.7Confident160 Ų16064.6 Ų64.660%0.60432%0.316SS*.G310 helixtrans-51.8-19173.758.3-178.2-175.1177.32.2115I863 F869 W870I863-R867 WeakPolarHBondContact O-CA 3.42Å; I863-R867 WeakPolarHBondContact O-CB 3.38Å; I863-R867 WeakPolarHBondContact O-CG 3.29Å; I863-R867 PolarHBondContact O-N 3.26Å; R867-F869 PolarHBondContact O-N 3.48Å; R867-W870 VanDerWaalsContact O-CB 3.29Å; R867-W870 WeakPolarHBondContact O-CB 3.42Å; R867-W870 PolarHBondContact O-N 3.08Å; R867-W870 VanDerWaalsContact O-N 3.13Å
868V78.7Confident69.9Low18 Ų1865.6 Ų65.611%0.10933%0.332CS..G310 helixtrans-56.7-31174.872.80000111.9Y866 W870 Q871 K989 M992Y866-V868 PolarHBondContact O-N 3.33Å; V868-W870 PolarHBondContact O-N 3.26Å; V868-Q871 WeakPolarHBondContact O-CB 3.45Å; V868-Q871 PolarHBondContact O-N 3.29Å; V868-Q871 VanDerWaalsContact O-N 3.08Å; V868-K989 HydrophobicContact CG1-CG 4.14Å; V868-M992 HydrophobicContact CG1-CB 4.37Å; V868-M992 HydrophobicContact CG1-SD 4.2Å; V868-M992 HydrophobicContact CG2-CB 3.87Å; V868-M992 HydrophobicContact CG2-CE 4.08Å; V868-M992 HydrophobicContact CG2-SD 4.27Å; V868-M992 WeakPolarHBondContact O-CE 3.48Å
869F75.6Confident67.9Low0 Ų069.8 Ų69.80%035%0.352CS..G310 helixtrans-64-20.4179-56.9-30.5000113.6Y866 R867 Q871 L872 M930 L935 L985 L988 K989 M992Y866-F869 HydrophobicContact CD1-CD2 4.38Å; Y866-F869 AromaticContact CD1-CE2 3.33Å; Y866-F869 HydrophobicContact CD1-CE2 3.33Å; Y866-F869 AromaticContact CD1-CZ 3.5Å; Y866-F869 HydrophobicContact CD1-CZ 3.5Å; Y866-F869 HydrophobicContact CE1-CE2 4.29Å; Y866-F869 HydrophobicContact CE1-CZ 4.25Å; Y866-F869 HydrophobicContact CG-CD2 4.43Å; Y866-F869 AromaticContact CG-CE2 3.72Å; Y866-F869 HydrophobicContact CG-CE2 3.72Å; Y866-F869 HydrophobicContact CG-CZ 4.32Å; Y866-F869 WeakPolarHBondContact O-CB 3.47Å; Y866-F869 VanDerWaalsContact O-CD2 3.29Å; Y866-F869 WeakPolarHBondContact O-CD2 3.5Å; Y866-F869 WeakPolarHBondContact O-CG 3.16Å; Y866-F869 PolarHBondContact O-N 3.41Å; R867-F869 PolarHBondContact O-N 3.48Å; F869-Q871 PolarHBondContact O-N 3.17Å; F869-Q871 VanDerWaalsContact O-N 3.1Å; F869-L872 HydrophobicContact CB-CD1 4.18Å; F869-L872 HydrophobicContact CD1-CD1 4.35Å; F869-L872 WeakPolarHBondContact O-CB 3.28Å; F869-L872 PolarHBondContact O-N 3.49Å; F869-L872 VanDerWaalsContact O-N 3.12Å; F869-M930 HydrophobicContact CB-CG 4.36Å; F869-M930 HydrophobicContact CB-SD 3.7Å; F869-M930 HydrophobicContact CD2-CE 4.14Å; F869-M930 HydrophobicContact CD2-SD 3.62Å; F869-M930 HydrophobicContact CG-SD 4.16Å; F869-L935 HydrophobicContact CB-CD2 4.14Å; F869-L935 HydrophobicContact CD1-CD2 4.17Å; F869-L935 HydrophobicContact CD2-CD2 4.09Å; F869-L935 HydrophobicContact CD2-CG 4.49Å; F869-L935 HydrophobicContact CG-CD2 3.88Å; F869-L985 HydrophobicContact CD2-CD2 4.41Å; F869-L985 HydrophobicContact CE2-CB 4.36Å; F869-L985 HydrophobicContact CE2-CD2 3.66Å; F869-L985 HydrophobicContact CZ-CB 4.39Å; F869-L985 HydrophobicContact CZ-CD2 4.26Å; F869-L985 WeakPolarHBondContact CZ-O 3.32Å; F869-L988 HydrophobicContact CD1-CD2 3.39Å; F869-L988 HydrophobicContact CE1-CB 4.2Å; F869-L988 HydrophobicContact CE1-CD2 3.23Å; F869-L988 HydrophobicContact CE1-CG 4.29Å; F869-L988 HydrophobicContact CG-CD2 4.41Å; F869-L988 HydrophobicContact CZ-CB 4.48Å; F869-L988 HydrophobicContact CZ-CD2 4.13Å; F869-K989 HydrophobicContact CE1-CB 3.9Å; F869-K989 HydrophobicContact CZ-CB 3.86Å; F869-M992 HydrophobicContact CD1-SD 3.6Å; F869-M992 HydrophobicContact CE1-SD 4.23Å
870W69.3Low65.9Low113 Ų11377 Ų7743%0.42839%0.386SS..G310 helixtrans-58.3-24.8172.7-168.2-97000112.7R867 V868 L872 F926 I929R867-W870 VanDerWaalsContact O-CB 3.29Å; R867-W870 WeakPolarHBondContact O-CB 3.42Å; R867-W870 PolarHBondContact O-N 3.08Å; R867-W870 VanDerWaalsContact O-N 3.13Å; V868-W870 PolarHBondContact O-N 3.26Å; W870-L872 VanDerWaalsContact C-N 3.33Å; W870-L872 PolarHBondContact O-N 3.43Å; W870-F926 HydrophobicContact CE3-CE2 4.4Å; W870-F926 HydrophobicContact CE3-CZ 4.31Å; W870-F926 HydrophobicContact CZ3-CE2 4.35Å; W870-I929 HydrophobicContact CH2-CG2 4.15Å; W870-I929 HydrophobicContact CZ3-CG2 3.79Å
871Q63.1Low64.1Low100 Ų10073 Ų7347%0.46737%0.371SS..G310 helixtrans-80.9-5.5-179.3-60.4-179.4-15.100114.6V868 F869 N873 M992 N996V868-Q871 WeakPolarHBondContact O-CB 3.45Å; V868-Q871 PolarHBondContact O-N 3.29Å; V868-Q871 VanDerWaalsContact O-N 3.08Å; F869-Q871 PolarHBondContact O-N 3.17Å; F869-Q871 VanDerWaalsContact O-N 3.1Å; Q871-N873 VanDerWaalsContact C-N 3.25Å; Q871-N873 PolarHBondContact O-N 3.02Å; Q871-M992 HydrophobicContact CB-CE 3.91Å; Q871-N996 PolarHBondContact OE1-ND2 3.09Å; Q871-N996 VanDerWaalsContact OE1-ND2 3.13Å
872L55.6Low62.5Low64 Ų6474.3 Ų74.334%0.33538%0.378SS..G310 helixtrans-69.3-27.6178.6-72.8161.6000111.6F869 W870 G934 L935 L988 M992F869-L872 HydrophobicContact CB-CD1 4.18Å; F869-L872 HydrophobicContact CD1-CD1 4.35Å; F869-L872 WeakPolarHBondContact O-CB 3.28Å; F869-L872 PolarHBondContact O-N 3.49Å; F869-L872 VanDerWaalsContact O-N 3.12Å; W870-L872 VanDerWaalsContact C-N 3.33Å; W870-L872 PolarHBondContact O-N 3.43Å; L872-G934 WeakPolarHBondContact CB-O 3.49Å; L872-G934 WeakPolarHBondContact CD1-O 3.17Å; L872-L935 HydrophobicContact CD1-CD2 3.73Å; L872-L988 HydrophobicContact CD1-CD2 3.87Å; L872-M992 HydrophobicContact CD1-SD 3.88Å; L872-M992 HydrophobicContact CD2-CE 3.96Å; L872-M992 HydrophobicContact CD2-CG 4.5Å; L872-M992 HydrophobicContact CD2-SD 3.88Å; L872-M992 HydrophobicContact CG-CE 3.73Å; L872-M992 HydrophobicContact CG-SD 3.69Å
873N50.5Low60.9Low62 Ų6282.9 Ų82.933%0.33242%0.418SS..  trans-122.592.9171.7-99.8-30.6000110.8Q871 H875 L933Q871-N873 VanDerWaalsContact C-N 3.25Å; Q871-N873 PolarHBondContact O-N 3.02Å; N873-H875 PolarHBondContact O-N 2.57Å; N873-L933 PolarHBondContact ND2-O 2.87Å
874P46Very low59.4Low110 Ų11085.1 Ų85.171%0.71443%0.433SS*.SBendtrans-65.1-15.7171.626.5-32.7000112.7
875H43.4Very low57.9Low150 Ų15082.5 Ų82.569%0.69442%0.418SS*.  trans-119.592.1166.9-66.4-72.5000108.2N873 P877N873-H875 PolarHBondContact O-N 2.57Å; H875-P877 WeakPolarHBondContact O-CD 3.18Å
876P44.5Very low56.7Low50 Ų5085 Ų8533%0.32543%0.428SS..  trans-56.8125.8144.827.8-28.9000103.9A878P876-A878 PolarHBondContact O-N 3.48Å
877P42.8Very low55.5Low45 Ų4588.5 Ų88.529%0.29245%0.453SS..  trans-69.775.7175.829.7-32.8000107.1H875 N879 Q880 L881H875-P877 WeakPolarHBondContact O-CD 3.18Å; P877-N879 PolarHBondContact O-N 3.21Å; P877-Q880 HydrophobicContact CB-CB 3.71Å; P877-Q880 HydrophobicContact CB-CG 4.03Å; P877-Q880 HydrophobicContact CG-CB 4.44Å; P877-Q880 CarbonylContact O-C 3.52Å; P877-Q880 PolarHBondContact O-N 3.32Å; P877-L881 HydrophobicContact CG-CD2 4.4Å; P877-L881 HydrophobicContact CG-CG 4.42Å; P877-L881 WeakPolarHBondContact O-CG 2.96Å; P877-L881 PolarHBondContact O-N 2.87Å
878A46.2Very low54.4Low56 Ų5683.3 Ų83.346%0.46344%0.437SS..THydrogen-bonded Turntrans-59.3-20.6175.400000110.9P876 L1151P876-A878 PolarHBondContact O-N 3.48Å; A878-L1151 HydrophobicContact CB-CD1 4.17Å
879N44.9Very low53.6Low137 Ų13783.4 Ų83.473%0.73344%0.437SS*.THydrogen-bonded Turntrans-93.5-8.5172.2-66.8-7000114.6P877P877-N879 PolarHBondContact O-N 3.21Å
880Q45.5Very low53Low152 Ų15286 Ų8671%0.7145%0.451SS*.THydrogen-bonded Turntrans-127-0.8177.7-40.6174.9-50.400115P877 M882P877-Q880 HydrophobicContact CB-CB 3.71Å; P877-Q880 HydrophobicContact CB-CG 4.03Å; P877-Q880 HydrophobicContact CG-CB 4.44Å; P877-Q880 CarbonylContact O-C 3.52Å; P877-Q880 PolarHBondContact O-N 3.32Å; Q880-M882 VanDerWaalsContact C-N 3.33Å; Q880-M882 PolarHBondContact O-N 2.93Å
881L47.7Very low52.6Low50 Ų5083.5 Ų83.526%0.26245%0.45SS..SBendtrans-61104.9162.7-68.5175.4000105.9P877 E885 L933P877-L881 HydrophobicContact CG-CD2 4.4Å; P877-L881 HydrophobicContact CG-CG 4.42Å; P877-L881 WeakPolarHBondContact O-CG 2.96Å; P877-L881 PolarHBondContact O-N 2.87Å; L881-E885 VanDerWaalsContact CA-OE2 3.27Å; L881-E885 WeakPolarHBondContact CA-OE2 3.36Å; L881-E885 WeakPolarHBondContact CD2-OE2 3.45Å; L881-L933 HydrophobicContact CD1-CD1 4.29Å; L881-L933 HydrophobicContact CD2-CD2 4.07Å
882M52.2Low52.6Low123 Ų12379.1 Ų79.161%0.60643%0.429SS*.  trans-58.6151176.7-72.9-91.3-69.400108.5Q880 T884 E885 F886Q880-M882 VanDerWaalsContact C-N 3.33Å; Q880-M882 PolarHBondContact O-N 2.93Å; M882-T884 VanDerWaalsContact CB-OG1 3.22Å; M882-T884 WeakPolarHBondContact CB-OG1 3.24Å; M882-T884 PolarHBondContact O-N 3.25Å; M882-E885 HydrophobicContact CB-CG 4.06Å; M882-E885 PolarHBondContact O-N 2.97Å; M882-F886 PolarHBondContact O-N 3.14Å
883E53.9Low53Low180 Ų18077.8 Ų77.884%0.84142%0.42SS*.Hα-helixtrans-51.3-28.4174.6-165.4170.5-172.100111.8S887E883-S887 VanDerWaalsContact O-CB 3.26Å; E883-S887 WeakPolarHBondContact O-CB 3.43Å; E883-S887 PolarHBondContact O-N 2.96Å
884T52.1Low53.5Low70 Ų7079.4 Ų79.443%0.42943%0.428SS..Hα-helixtrans-64.6-40.8172.953.40000113.9M882 S887 L888M882-T884 VanDerWaalsContact CB-OG1 3.22Å; M882-T884 WeakPolarHBondContact CB-OG1 3.24Å; M882-T884 PolarHBondContact O-N 3.25Å; T884-S887 PolarHBondContact O-N 3.42Å; T884-L888 WeakPolarHBondContact O-CB 3.4Å; T884-L888 PolarHBondContact O-N 2.96Å
885E53.5Low54.1Low33 Ų3377 Ų7715%0.15441%0.406CS..Hα-helixtrans-70.9-39.8-179-48.1-165.3151.200111.2L881 M882 L888 L889 I940L881-E885 VanDerWaalsContact CA-OE2 3.27Å; L881-E885 WeakPolarHBondContact CA-OE2 3.36Å; L881-E885 WeakPolarHBondContact CD2-OE2 3.45Å; M882-E885 HydrophobicContact CB-CG 4.06Å; M882-E885 PolarHBondContact O-N 2.97Å; E885-L888 PolarHBondContact O-N 3.21Å; E885-L889 WeakPolarHBondContact O-CB 3.47Å; E885-L889 PolarHBondContact O-N 3.32Å; E885-I940 HydrophobicContact CB-CD1 4.07Å; E885-I940 HydrophobicContact CB-CG2 4.05Å; E885-I940 HydrophobicContact CG-CB 4.24Å; E885-I940 HydrophobicContact CG-CD1 4.04Å; E885-I940 HydrophobicContact CG-CG2 3.46Å; E885-I940 VanDerWaalsContact CG-CG2 3.46Å; E885-I940 VanDerWaalsContact OE1-CB 3.31Å; E885-I940 WeakPolarHBondContact OE1-CB 3.43Å; E885-I940 WeakPolarHBondContact OE1-CG2 3.43Å; E885-I940 WeakPolarHBondContact OE2-CD1 2.86Å
886F57.4Low54.8Low111 Ų11170.6 Ų70.649%0.48738%0.377SS..Hα-helixtrans-68.5-38174.7-155.7-96.2000111.4M882 N890M882-F886 PolarHBondContact O-N 3.14Å; F886-N890 WeakPolarHBondContact CD1-ND2 3.42Å; F886-N890 WeakPolarHBondContact CE1-ND2 3.35Å; F886-N890 VanDerWaalsContact O-CB 3.26Å; F886-N890 WeakPolarHBondContact O-CB 3.21Å; F886-N890 VanDerWaalsContact O-CG 3.28Å; F886-N890 PolarHBondContact O-N 3.45Å; F886-N890 PolarHBondContact O-ND2 3.21Å
887S58.8Low55.4Low75 Ų7570.6 Ų70.652%0.52437%0.374SS..Hα-helixtrans-63-43.2173.1-175.60000112E883 T884 N890 S891E883-S887 VanDerWaalsContact O-CB 3.26Å; E883-S887 WeakPolarHBondContact O-CB 3.43Å; E883-S887 PolarHBondContact O-N 2.96Å; T884-S887 PolarHBondContact O-N 3.42Å; S887-N890 PolarHBondContact O-N 3.47Å; S887-S891 VanDerWaalsContact O-CB 3.28Å; S887-S891 WeakPolarHBondContact O-CB 3.35Å; S887-S891 PolarHBondContact O-N 2.93Å
888L60.8Low56Low50 Ų5075.3 Ų75.326%0.26239%0.392SS..Hα-helixtrans-62.7-48.2176.1-168.879.5000111.4T884 E885 N890 S891 W892 C943T884-L888 WeakPolarHBondContact O-CB 3.4Å; T884-L888 PolarHBondContact O-N 2.96Å; E885-L888 PolarHBondContact O-N 3.21Å; L888-N890 PolarHBondContact O-N 2.71Å; L888-S891 WeakPolarHBondContact O-CB 3.32Å; L888-S891 PolarHBondContact O-N 3.01Å; L888-W892 HydrophobicContact CD1-CZ2 4.49Å; L888-W892 HydrophobicContact CD2-CH2 3.99Å; L888-W892 HydrophobicContact CD2-CZ2 3.52Å; L888-W892 HydrophobicContact CG-CD2 4.41Å; L888-W892 HydrophobicContact CG-CZ2 3.88Å; L888-W892 VanDerWaalsContact O-CG 3.28Å; L888-W892 PolarHBondContact O-N 3.23Å; L888-C943 HydrophobicContact CD2-CB 4.35Å
889L61.8Low56.3Low21 Ų2175.9 Ų75.911%0.1139%0.387CS..Hα-helixtrans-62.7-41.1177.5-17080.4000111.8E885 W892 Y893 L928 I929 T932E885-L889 WeakPolarHBondContact O-CB 3.47Å; E885-L889 PolarHBondContact O-N 3.32Å; L889-W892 HydrophobicContact CD1-CE3 4.33Å; L889-W892 PolarHBondContact O-N 3.5Å; L889-Y893 WeakPolarHBondContact O-CB 3.41Å; L889-Y893 PolarHBondContact O-N 2.86Å; L889-L928 HydrophobicContact CD1-CD2 4.08Å; L889-L928 HydrophobicContact CD1-CG 4.18Å; L889-I929 HydrophobicContact CD2-CG1 3.87Å; L889-T932 HydrophobicContact CD1-CG2 4.44Å
890N61.9Low56.1Low55 Ų5576.4 Ų76.429%0.29439%0.39SS..Hα-helixtrans-65.3-39.9174-80.2-24.6000111.8F886 S887 L888 W892 Y893 L894F886-N890 WeakPolarHBondContact CD1-ND2 3.42Å; F886-N890 WeakPolarHBondContact CE1-ND2 3.35Å; F886-N890 VanDerWaalsContact O-CB 3.26Å; F886-N890 WeakPolarHBondContact O-CB 3.21Å; F886-N890 VanDerWaalsContact O-CG 3.28Å; F886-N890 PolarHBondContact O-N 3.45Å; F886-N890 PolarHBondContact O-ND2 3.21Å; S887-N890 PolarHBondContact O-N 3.47Å; L888-N890 PolarHBondContact O-N 2.71Å; N890-W892 VanDerWaalsContact C-N 3.34Å; N890-Y893 PolarHBondContact O-N 3.01Å; N890-L894 WeakPolarHBondContact O-CB 3.32Å; N890-L894 WeakPolarHBondContact O-CG 3.46Å; N890-L894 PolarHBondContact O-N 3Å
891S62.4Low56.1Low59 Ų5974.4 Ų74.441%0.41338%0.376SS..Hα-helixtrans-60.7-44.1174.2-178.20000111S887 L888 L894 K895S887-S891 VanDerWaalsContact O-CB 3.28Å; S887-S891 WeakPolarHBondContact O-CB 3.35Å; S887-S891 PolarHBondContact O-N 2.93Å; L888-S891 WeakPolarHBondContact O-CB 3.32Å; L888-S891 PolarHBondContact O-N 3.01Å; S891-L894 PolarHBondContact O-N 3.43Å; S891-K895 WeakPolarHBondContact O-CB 3.4Å; S891-K895 PolarHBondContact O-N 2.97Å
892W62.7Low55.7Low9 Ų976 Ų763%0.03439%0.391CS..Hα-helixtrans-63.1-43.6174.2-66.2-7.8000112.5L888 L889 N890 K895 L896 T932 I938 F964 I967L888-W892 HydrophobicContact CD1-CZ2 4.49Å; L888-W892 HydrophobicContact CD2-CH2 3.99Å; L888-W892 HydrophobicContact CD2-CZ2 3.52Å; L888-W892 HydrophobicContact CG-CD2 4.41Å; L888-W892 HydrophobicContact CG-CZ2 3.88Å; L888-W892 VanDerWaalsContact O-CG 3.28Å; L888-W892 PolarHBondContact O-N 3.23Å; L889-W892 HydrophobicContact CD1-CE3 4.33Å; L889-W892 PolarHBondContact O-N 3.5Å; N890-W892 VanDerWaalsContact C-N 3.34Å; W892-K895 PolarHBondContact O-N 3.5Å; W892-L896 WeakPolarHBondContact O-CG 3.35Å; W892-L896 PolarHBondContact O-N 2.89Å; W892-T932 HydrophobicContact CZ3-CG2 4.05Å; W892-I938 HydrophobicContact CH2-CD1 3.57Å; W892-I938 HydrophobicContact CH2-CG1 4.16Å; W892-I938 HydrophobicContact CZ3-CD1 3.44Å; W892-I938 VanDerWaalsContact CZ3-CD1 3.44Å; W892-I938 HydrophobicContact CZ3-CG1 4.33Å; W892-F964 HydrophobicContact CH2-CD2 4.16Å; W892-F964 HydrophobicContact CH2-CE2 4.09Å; W892-F964 HydrophobicContact CH2-CZ 4.45Å; W892-F964 HydrophobicContact CZ2-CD2 4.1Å; W892-F964 HydrophobicContact CZ2-CE2 4.2Å; W892-I967 HydrophobicContact CD2-CD1 4.27Å; W892-I967 HydrophobicContact CG-CD1 4.18Å
893Y64Low55Low35 Ų3577.1 Ų77.114%0.13741%0.405CS..Hα-helixtrans-63.8-43.4175.7180-113000112.3L889 N890 K895 L896 I897 Q921 Q925L889-Y893 WeakPolarHBondContact O-CB 3.41Å; L889-Y893 PolarHBondContact O-N 2.86Å; N890-Y893 PolarHBondContact O-N 3.01Å; Y893-K895 VanDerWaalsContact C-N 3.3Å; Y893-K895 PolarHBondContact O-N 2.93Å; Y893-L896 WeakPolarHBondContact O-CB 3.4Å; Y893-L896 PolarHBondContact O-N 2.82Å; Y893-I897 HydrophobicContact CD1-CD1 3.56Å; Y893-I897 HydrophobicContact CD2-CD1 4.34Å; Y893-I897 HydrophobicContact CE1-CD1 3.13Å; Y893-I897 HydrophobicContact CE1-CG1 4.24Å; Y893-I897 HydrophobicContact CE2-CD1 3.97Å; Y893-I897 HydrophobicContact CE2-CG1 4.25Å; Y893-I897 HydrophobicContact CG-CD1 4.16Å; Y893-I897 WeakPolarHBondContact O-CG1 3.42Å; Y893-I897 PolarHBondContact O-N 3.43Å; Y893-Q921 PolarHBondContact OH-O 2.85Å; Y893-Q925 HydrophobicContact CD2-CB 4.04Å; Y893-Q925 HydrophobicContact CD2-CG 4.08Å; Y893-Q925 HydrophobicContact CE2-CB 3.6Å; Y893-Q925 HydrophobicContact CE2-CG 4.02Å
894L60.2Low54.1Low96 Ų9672.7 Ų72.750%0.50339%0.394SS..Hα-helixtrans-61.8-38.8174.7-73.9171.7000111.1N890 S891 I897 Q898N890-L894 WeakPolarHBondContact O-CB 3.32Å; N890-L894 WeakPolarHBondContact O-CG 3.46Å; N890-L894 PolarHBondContact O-N 3Å; S891-L894 PolarHBondContact O-N 3.43Å; L894-I897 PolarHBondContact O-N 2.94Å; L894-Q898 VanDerWaalsContact O-CB 3.32Å; L894-Q898 WeakPolarHBondContact O-CB 3.49Å; L894-Q898 WeakPolarHBondContact O-CG 3.4Å; L894-Q898 PolarHBondContact O-N 3.33Å
895K58.9Low53.4Low59 Ų5978.7 Ų78.726%0.25741%0.414SS..Hα-helixtrans-68-39.5175.7-160.2172.3-166.1160.90112.6S891 W892 Y893 I897 Q898 L899S891-K895 WeakPolarHBondContact O-CB 3.4Å; S891-K895 PolarHBondContact O-N 2.97Å; W892-K895 PolarHBondContact O-N 3.5Å; Y893-K895 VanDerWaalsContact C-N 3.3Å; Y893-K895 PolarHBondContact O-N 2.93Å; K895-I897 VanDerWaalsContact C-N 3.34Å; K895-Q898 CarbonylContact O-C 3.6Å; K895-Q898 PolarHBondContact O-N 3.22Å; K895-L899 PolarHBondContact O-N 2.94Å
896L59.2Low52.4Low16 Ų1688.1 Ų88.18%0.08445%0.448CS..Hα-helixtrans-62.2-40.2171.6-76171.4000111.8W892 Y893 Q898 L899 L928 I967 F970W892-L896 WeakPolarHBondContact O-CG 3.35Å; W892-L896 PolarHBondContact O-N 2.89Å; Y893-L896 WeakPolarHBondContact O-CB 3.4Å; Y893-L896 PolarHBondContact O-N 2.82Å; L896-Q898 VanDerWaalsContact C-N 3.34Å; L896-L899 HydrophobicContact CD2-CD1 3.93Å; L896-L899 WeakPolarHBondContact O-CB 3.4Å; L896-L899 PolarHBondContact O-N 3.12Å; L896-L928 HydrophobicContact CD1-CD1 4.3Å; L896-L928 HydrophobicContact CD1-CD2 3.88Å; L896-I967 HydrophobicContact CD2-CG2 3.77Å; L896-I967 HydrophobicContact CG-CG2 4.28Å; L896-F970 HydrophobicContact CD1-CD1 4.35Å; L896-F970 HydrophobicContact CD1-CG 4.3Å; L896-F970 HydrophobicContact CD2-CB 3.51Å; L896-F970 HydrophobicContact CD2-CD2 4.25Å; L896-F970 HydrophobicContact CD2-CG 3.89Å
897I57.3Low51.3Low51 Ų5188.2 Ų88.226%0.26246%0.458SS..Hα-helixtrans-68.5-34.5174-67.9163.8000111.6Y893 L894 K895 L899Y893-I897 HydrophobicContact CD1-CD1 3.56Å; Y893-I897 HydrophobicContact CD2-CD1 4.34Å; Y893-I897 HydrophobicContact CE1-CD1 3.13Å; Y893-I897 HydrophobicContact CE1-CG1 4.24Å; Y893-I897 HydrophobicContact CE2-CD1 3.97Å; Y893-I897 HydrophobicContact CE2-CG1 4.25Å; Y893-I897 HydrophobicContact CG-CD1 4.16Å; Y893-I897 WeakPolarHBondContact O-CG1 3.42Å; Y893-I897 PolarHBondContact O-N 3.43Å; L894-I897 PolarHBondContact O-N 2.94Å; K895-I897 VanDerWaalsContact C-N 3.34Å; I897-L899 VanDerWaalsContact C-N 3.31Å
898Q54.9Low50.5Low144 Ų14493.4 Ų93.467%0.67347%0.474SS*.Hα-helixtrans-77.7-7.8178.2-76176.68.600114L894 K895 L896 N900L894-Q898 VanDerWaalsContact O-CB 3.32Å; L894-Q898 WeakPolarHBondContact O-CB 3.49Å; L894-Q898 WeakPolarHBondContact O-CG 3.4Å; L894-Q898 PolarHBondContact O-N 3.33Å; K895-Q898 CarbonylContact O-C 3.6Å; K895-Q898 PolarHBondContact O-N 3.22Å; L896-Q898 VanDerWaalsContact C-N 3.34Å; Q898-N900 PolarHBondContact O-N 3.44Å
899L51.9Low49.4Very low68 Ų6897 Ų9736%0.35649%0.493SS..SBendtrans-51.7112.1169-72.5173.1000108.3K895 L896 I897 R901K895-L899 PolarHBondContact O-N 2.94Å; L896-L899 HydrophobicContact CD2-CD1 3.93Å; L896-L899 WeakPolarHBondContact O-CB 3.4Å; L896-L899 PolarHBondContact O-N 3.12Å; I897-L899 VanDerWaalsContact C-N 3.31Å; L899-R901 PolarHBondContact O-N 3.45Å
900N41Very low48.4Very low147 Ų147105.1 Ų105.179%0.78653%0.527SS*.  trans-37.397.5-168.9-79.1-33.3000112.9Q898 S902 R972Q898-N900 PolarHBondContact O-N 3.44Å; N900-S902 PolarHBondContact O-N 3.12Å; N900-R972 PolarHBondContact O-NH2 3.39Å
901R45.8Very low47.2Very low111 Ų111110.4 Ų110.442%0.41956%0.555SS.*  trans-71.379.3161.7-69-176.3179.2-171.7-4.3106.4L899 T903 E917L899-R901 PolarHBondContact O-N 3.45Å; R901-T903 PolarHBondContact O-N 3.03Å; R901-E917 IonicContact CZ-OE2 2.7Å; R901-E917 IonicContact NH1-OE2 2.71Å; R901-E917 PolarHBondContact NH1-OE2 3.43Å
902S39.3Very low45.9Very low83 Ų83117.8 Ų117.858%0.5857%0.574SS**  trans-51.5113.5176.6176.60000108.3N900 S904N900-S902 PolarHBondContact O-N 3.12Å; S902-S904 PolarHBondContact O-N 3.42Å
903T37.1Very low44.9Very low146 Ų146124.6 Ų124.690%0.89660%0.599SS**  trans-7359174.152.60000109.2R901R901-T903 PolarHBondContact O-N 3.03Å
904S34.7Very low43.9Very low88 Ų88129.8 Ų129.862%0.61563%0.625SS**  trans-92.8104.5178.4170.10000108.8S902S902-S904 PolarHBondContact O-N 3.42Å
905K38.3Very low43.4Very low195 Ų195129.8 Ų129.885%0.84863%0.629SS**SBendtrans73.390.6165.4-61-179.6-178173.10118.8
906R32.7Very low43.1Very low231 Ų231129.6 Ų129.687%0.87264%0.635SS**  81.9109127.1-114.7-164.9160.3145.1-5.8121
907T34.5Very low43Very low114 Ų114132.1 Ų132.170%0.69965%0.646SS**  51.5124.2128.352.40000122.6
908Q41.3Very low43.5Very low183 Ų183131.8 Ų131.886%0.85565%0.649SS**  trans85.841.4150.9-64.8-160.915.100121.6
909L38.4Very low44.4Very low126 Ų126127.9 Ų127.966%0.6663%0.634SS**  trans-137.856.8158.2-77.1173.4000112.3L911L909-L911 PolarHBondContact O-N 2.89Å
910K40.9Very low45.6Very low192 Ų192127 Ų12784%0.83563%0.63SS**THydrogen-bonded Turntrans-70.4-21.9-174.6-96.5-174.2173.4-174.50115.6
911L36.2Very low47.2Very low165 Ų165122.1 Ų122.186%0.86460%0.602SS**THydrogen-bonded Turntrans-95.7-18.2-172.5-90152.2000115.8L909L909-L911 PolarHBondContact O-N 2.89Å
912R35.2Very low48.6Very low215 Ų215121.5 Ų121.581%0.81160%0.604SS**THydrogen-bonded Turntrans-96.9-14.3-179-157.7171.4-179.3149.8-1113.7
913R41.1Very low50.6Low152 Ų152120.1 Ų120.157%0.57459%0.588SS**Hα-helixtrans-79.3-33-177.9-79.5-175171.3159.3-2.1113.9T915 S916 E917R913-T915 PolarHBondContact O-N 3.26Å; R913-S916 PolarHBondContact O-N 3.38Å; R913-S916 PolarHBondContact O-OG 3.06Å; R913-E917 VanDerWaalsContact O-CB 3.28Å; R913-E917 WeakPolarHBondContact O-CB 3.33Å; R913-E917 WeakPolarHBondContact O-CG 3.46Å; R913-E917 PolarHBondContact O-N 3.34Å
914E43.8Very low52.6Low143 Ų143114 Ų11467%0.66855%0.55SS*.Hα-helixtrans-61.8-41.3-173.9-69.8-178.8173.600112.6S918E914-S918 VanDerWaalsContact O-CB 3.23Å; E914-S918 WeakPolarHBondContact O-CB 3.45Å; E914-S918 PolarHBondContact O-N 2.97Å; E914-S918 PolarHBondContact O-OG 3.39Å
915T49Very low54.5Low97 Ų97112.8 Ų112.860%0.59553%0.534SS*.Hα-helixtrans-69.8-45178.856.10000112.4R913 S918 T919R913-T915 PolarHBondContact O-N 3.26Å; T915-S918 PolarHBondContact O-N 3.09Å; T915-S918 PolarHBondContact O-OG 3.45Å; T915-T919 WeakPolarHBondContact O-CG2 3.12Å; T915-T919 PolarHBondContact O-N 3Å; T915-T919 VanDerWaalsContact O-N 3.13Å; T915-T919 PolarHBondContact O-OG1 3.41Å
916S52.9Low56.4Low55 Ų55105.8 Ų105.839%0.38550%0.504SS..Hα-helixtrans-69.2-42.2-179.855.10000112.2R913 S918 T919 I920R913-S916 PolarHBondContact O-N 3.38Å; R913-S916 PolarHBondContact O-OG 3.06Å; S916-S918 VanDerWaalsContact C-N 3.34Å; S916-S918 PolarHBondContact O-N 2.93Å; S916-T919 PolarHBondContact O-N 3.18Å; S916-T919 PolarHBondContact O-OG1 3.37Å; S916-I920 WeakPolarHBondContact O-CG1 3.46Å; S916-I920 PolarHBondContact O-N 3.48Å; S916-I920 VanDerWaalsContact O-N 3.08Å
917E57.8Low58.7Low69 Ų6994.8 Ų94.832%0.32246%0.462SS..Hα-helixtrans-64.1-40.9177.2-72.4-175.9-160.300111.2R901 R913 T919 I920 Q921R901-E917 IonicContact CZ-OE2 2.7Å; R901-E917 IonicContact NH1-OE2 2.71Å; R901-E917 PolarHBondContact NH1-OE2 3.43Å; R913-E917 VanDerWaalsContact O-CB 3.28Å; R913-E917 WeakPolarHBondContact O-CB 3.33Å; R913-E917 WeakPolarHBondContact O-CG 3.46Å; R913-E917 PolarHBondContact O-N 3.34Å; E917-T919 VanDerWaalsContact C-N 3.33Å; E917-T919 PolarHBondContact O-N 3.06Å; E917-I920 PolarHBondContact O-N 2.86Å; E917-Q921 WeakPolarHBondContact O-CB 3.26Å; E917-Q921 VanDerWaalsContact O-CG 3.27Å; E917-Q921 WeakPolarHBondContact O-CG 3.35Å; E917-Q921 PolarHBondContact O-N 3.5Å
918S66.3Low60.7Low44 Ų4489.5 Ų89.531%0.30843%0.43SS..Hα-helixtrans-61.8-39.3175.7720000112.4E914 T915 S916 Q921 Q922E914-S918 VanDerWaalsContact O-CB 3.23Å; E914-S918 WeakPolarHBondContact O-CB 3.45Å; E914-S918 PolarHBondContact O-N 2.97Å; E914-S918 PolarHBondContact O-OG 3.39Å; T915-S918 PolarHBondContact O-N 3.09Å; T915-S918 PolarHBondContact O-OG 3.45Å; S916-S918 VanDerWaalsContact C-N 3.34Å; S916-S918 PolarHBondContact O-N 2.93Å; S918-Q921 PolarHBondContact O-N 2.9Å; S918-Q922 VanDerWaalsContact O-CG 3.25Å; S918-Q922 WeakPolarHBondContact O-CG 3.45Å; S918-Q922 PolarHBondContact O-N 2.91Å
919T75.6Confident62.2Low61 Ų6182.5 Ų82.537%0.37440%0.398SS..Hα-helixtrans-67.6-40.8177.756.50000112.6T915 S916 E917 Q922 Q923T915-T919 WeakPolarHBondContact O-CG2 3.12Å; T915-T919 PolarHBondContact O-N 3Å; T915-T919 VanDerWaalsContact O-N 3.13Å; T915-T919 PolarHBondContact O-OG1 3.41Å; S916-T919 PolarHBondContact O-N 3.18Å; S916-T919 PolarHBondContact O-OG1 3.37Å; E917-T919 VanDerWaalsContact C-N 3.33Å; E917-T919 PolarHBondContact O-N 3.06Å; T919-Q922 PolarHBondContact O-N 3.27Å; T919-Q923 VanDerWaalsContact O-CG 3.24Å; T919-Q923 WeakPolarHBondContact O-CG 3.26Å; T919-Q923 PolarHBondContact O-N 2.85Å
920I75.6Confident64Low51 Ų5176.5 Ų76.526%0.26237%0.366SS..Hα-helixtrans-65.2-43.9176.9-67.7168.9000109.8Y859 S916 E917 Q922 Q923 Q924 R972Y859-I920 HydrophobicContact CD2-CG2 3.99Å; Y859-I920 HydrophobicContact CE2-CG2 4.09Å; S916-I920 WeakPolarHBondContact O-CG1 3.46Å; S916-I920 PolarHBondContact O-N 3.48Å; S916-I920 VanDerWaalsContact O-N 3.08Å; E917-I920 PolarHBondContact O-N 2.86Å; I920-Q922 VanDerWaalsContact C-N 3.33Å; I920-Q922 PolarHBondContact O-N 3.27Å; I920-Q923 PolarHBondContact O-N 3.08Å; I920-Q923 VanDerWaalsContact O-N 3.14Å; I920-Q924 HydrophobicContact CG2-CG 4.47Å; I920-Q924 WeakPolarHBondContact O-CB 3.27Å; I920-Q924 WeakPolarHBondContact O-CG 3.44Å; I920-Q924 PolarHBondContact O-N 3.01Å; I920-R972 WeakPolarHBondContact CG2-O 3.49Å
921Q74.5Confident65.5Low43 Ų4367.7 Ų67.720%0.20133%0.329CS..Hα-helixtrans-59.7-39.7175.9-79.4175-1700113Y893 E917 S918 Q924 Q925Y893-Q921 PolarHBondContact OH-O 2.85Å; E917-Q921 WeakPolarHBondContact O-CB 3.26Å; E917-Q921 VanDerWaalsContact O-CG 3.27Å; E917-Q921 WeakPolarHBondContact O-CG 3.35Å; E917-Q921 PolarHBondContact O-N 3.5Å; S918-Q921 PolarHBondContact O-N 2.9Å; Q921-Q924 WeakPolarHBondContact O-CB 3.5Å; Q921-Q925 WeakPolarHBondContact O-CB 3.4Å; Q921-Q925 PolarHBondContact O-N 3.34Å
922Q75.1Confident67Low99 Ų9960.5 Ų60.546%0.46329%0.291SS..Hα-helixtrans-66.3-40.8174.3-74.3171.13.400111.7S918 T919 I920 Q925 F926S918-Q922 VanDerWaalsContact O-CG 3.25Å; S918-Q922 WeakPolarHBondContact O-CG 3.45Å; S918-Q922 PolarHBondContact O-N 2.91Å; T919-Q922 PolarHBondContact O-N 3.27Å; I920-Q922 VanDerWaalsContact C-N 3.33Å; I920-Q922 PolarHBondContact O-N 3.27Å; Q922-Q925 PolarHBondContact O-N 2.54Å; Q922-F926 WeakPolarHBondContact O-CB 3.2Å; Q922-F926 PolarHBondContact O-N 2.99Å
923Q81.1Confident68.3Low54 Ų5452.1 Ų52.125%0.25226%0.262SS..Hα-helixtrans-67.2-41.8177-67.2167.81100111.4Y859 I863 T919 I920 Q925 F926 V927Y859-Q923 HydrophobicContact CG-CB 4.38Å; I863-Q923 HydrophobicContact CD1-CB 4Å; I863-Q923 HydrophobicContact CD1-CG 4.16Å; T919-Q923 VanDerWaalsContact O-CG 3.24Å; T919-Q923 WeakPolarHBondContact O-CG 3.26Å; T919-Q923 PolarHBondContact O-N 2.85Å; I920-Q923 PolarHBondContact O-N 3.08Å; I920-Q923 VanDerWaalsContact O-N 3.14Å; Q923-Q925 VanDerWaalsContact C-N 3.34Å; Q923-Q925 PolarHBondContact O-N 2.65Å; Q923-F926 PolarHBondContact O-N 3.36Å; Q923-V927 WeakPolarHBondContact O-CG2 3.41Å; Q923-V927 PolarHBondContact O-N 2.85Å
924Q79.3Confident69.2Low17 Ų1745 Ų458%0.07924%0.237CC..Hα-helixtrans-53.4-51171.5-82.9175-26.300111.5Y859 I920 Q921 F926 V927 L928 G971 R972Y859-Q924 HydrophobicContact CD1-CG 4.03Å; Y859-Q924 HydrophobicContact CD2-CG 3.6Å; Y859-Q924 HydrophobicContact CE1-CG 3.64Å; Y859-Q924 HydrophobicContact CE2-CG 3.15Å; Y859-Q924 VanDerWaalsContact CE2-NE2 3.3Å; Y859-Q924 HydrophobicContact CG-CG 4.01Å; Y859-Q924 WeakPolarHBondContact OH-CG 3.22Å; Y859-Q924 PolarHBondContact OH-NE2 3.1Å; I920-Q924 HydrophobicContact CG2-CG 4.47Å; I920-Q924 WeakPolarHBondContact O-CB 3.27Å; I920-Q924 WeakPolarHBondContact O-CG 3.44Å; I920-Q924 PolarHBondContact O-N 3.01Å; Q921-Q924 WeakPolarHBondContact O-CB 3.5Å; Q924-F926 VanDerWaalsContact C-N 3.32Å; Q924-F926 PolarHBondContact O-N 3.17Å; Q924-V927 PolarHBondContact O-N 3.1Å; Q924-L928 PolarHBondContact O-N 3.44Å; Q924-G971 PolarHBondContact NE2-O 3.12Å; Q924-R972 PolarHBondContact NE2-O 2.94Å
925Q75.5Confident70.1Confident63 Ų6339.7 Ų39.729%0.29421%0.213SC..Hα-helixtrans-59.1-45.5178.1-166.5-177.41300111.2Y893 Q921 Q922 Q923 V927 L928 I929Y893-Q925 HydrophobicContact CD2-CB 4.04Å; Y893-Q925 HydrophobicContact CD2-CG 4.08Å; Y893-Q925 HydrophobicContact CE2-CB 3.6Å; Y893-Q925 HydrophobicContact CE2-CG 4.02Å; Q921-Q925 WeakPolarHBondContact O-CB 3.4Å; Q921-Q925 PolarHBondContact O-N 3.34Å; Q922-Q925 PolarHBondContact O-N 2.54Å; Q923-Q925 VanDerWaalsContact C-N 3.34Å; Q923-Q925 PolarHBondContact O-N 2.65Å; Q925-V927 PolarHBondContact O-N 3.04Å; Q925-L928 PolarHBondContact O-N 2.75Å; Q925-I929 HydrophobicContact CG-CD1 3.99Å; Q925-I929 VanDerWaalsContact O-CG1 3.23Å; Q925-I929 WeakPolarHBondContact O-CG1 3.34Å; Q925-I929 PolarHBondContact O-N 3.4Å
926F77.9Confident70.5Confident47 Ų4740.2 Ų40.221%0.20621%0.212CC..Hα-helixtrans-63.4-41.7178.8-175.5-87000112.3I863 W870 Q922 Q923 Q924 I929 M930I863-F926 HydrophobicContact CB-CE1 4.49Å; I863-F926 HydrophobicContact CD1-CB 4.22Å; I863-F926 HydrophobicContact CD1-CD1 3.56Å; I863-F926 HydrophobicContact CD1-CE1 4.3Å; I863-F926 HydrophobicContact CD1-CG 4.19Å; I863-F926 HydrophobicContact CG1-CD1 3.57Å; I863-F926 HydrophobicContact CG1-CE1 3.97Å; I863-F926 HydrophobicContact CG2-CD1 4.2Å; I863-F926 HydrophobicContact CG2-CE1 3.85Å; W870-F926 HydrophobicContact CE3-CE2 4.4Å; W870-F926 HydrophobicContact CE3-CZ 4.31Å; W870-F926 HydrophobicContact CZ3-CE2 4.35Å; Q922-F926 WeakPolarHBondContact O-CB 3.2Å; Q922-F926 PolarHBondContact O-N 2.99Å; Q923-F926 PolarHBondContact O-N 3.36Å; Q924-F926 VanDerWaalsContact C-N 3.32Å; Q924-F926 PolarHBondContact O-N 3.17Å; F926-I929 PolarHBondContact O-N 3.21Å; F926-M930 HydrophobicContact CE1-CB 4.43Å; F926-M930 VanDerWaalsContact O-CB 3.23Å; F926-M930 WeakPolarHBondContact O-CB 3.37Å; F926-M930 PolarHBondContact O-N 2.74Å
927V80.8Confident70.6Confident0 Ų041.1 Ų41.10%021%0.212CC..Hα-helixtrans-63.1-44.2175.9170.60000111.2Y859 F862 I863 Q923 Q924 Q925 M930 L931 F970 I975Y859-V927 HydrophobicContact CD1-CB 4.24Å; Y859-V927 HydrophobicContact CD1-CG2 3.99Å; F862-V927 HydrophobicContact CB-CG2 4.45Å; F862-V927 HydrophobicContact CD1-CB 4.25Å; F862-V927 HydrophobicContact CD1-CG1 3.57Å; F862-V927 HydrophobicContact CD1-CG2 3.71Å; F862-V927 HydrophobicContact CE1-CG1 3.63Å; F862-V927 HydrophobicContact CE1-CG2 4.49Å; F862-V927 HydrophobicContact CG-CG1 4.47Å; F862-V927 HydrophobicContact CG-CG2 4.48Å; I863-V927 HydrophobicContact CD1-CG2 4.07Å; I863-V927 HydrophobicContact CG1-CG2 3.67Å; Q923-V927 WeakPolarHBondContact O-CG2 3.41Å; Q923-V927 PolarHBondContact O-N 2.85Å; Q924-V927 PolarHBondContact O-N 3.1Å; Q925-V927 PolarHBondContact O-N 3.04Å; V927-M930 PolarHBondContact O-N 2.96Å; V927-L931 HydrophobicContact CG1-CD1 4.02Å; V927-L931 HydrophobicContact CG1-CG 4.45Å; V927-L931 WeakPolarHBondContact O-CG 3.5Å; V927-L931 PolarHBondContact O-N 3.47Å; V927-F970 HydrophobicContact CB-CE1 4.29Å; V927-F970 HydrophobicContact CG1-CE1 3.94Å; V927-F970 HydrophobicContact CG1-CZ 4.02Å; V927-I975 HydrophobicContact CG1-CD1 3.66Å
928L77.5Confident70.1Confident4 Ų438.3 Ų38.32%0.02120%0.199CC..Hα-helixtrans-59.1-48.4175.5-17867.4000111.4L889 L896 Q924 Q925 M930 L931 T932 F970L889-L928 HydrophobicContact CD1-CD2 4.08Å; L889-L928 HydrophobicContact CD1-CG 4.18Å; L896-L928 HydrophobicContact CD1-CD1 4.3Å; L896-L928 HydrophobicContact CD1-CD2 3.88Å; Q924-L928 PolarHBondContact O-N 3.44Å; Q925-L928 PolarHBondContact O-N 2.75Å; L928-M930 VanDerWaalsContact C-N 3.32Å; L928-M930 PolarHBondContact O-N 2.92Å; L928-L931 PolarHBondContact O-N 3.05Å; L928-T932 HydrophobicContact CD1-CG2 4.13Å; L928-T932 HydrophobicContact CG-CG2 4.45Å; L928-T932 WeakPolarHBondContact O-CB 3.4Å; L928-T932 VanDerWaalsContact O-CG2 3.26Å; L928-T932 WeakPolarHBondContact O-CG2 3.39Å; L928-T932 PolarHBondContact O-N 3.3Å; L928-T932 PolarHBondContact O-OG1 3.33Å; L928-F970 HydrophobicContact CB-CE1 4.26Å; L928-F970 HydrophobicContact CB-CZ 4.05Å; L928-F970 HydrophobicContact CD1-CE2 4.22Å; L928-F970 HydrophobicContact CD1-CZ 4.03Å
929I72.7Confident69Low35 Ų3540.4 Ų40.418%0.17921%0.212CC..Hα-helixtrans-60.9-43.8177.4-67.7166.6000110.7W870 L889 Q925 F926 L931 T932 L933 G934W870-I929 HydrophobicContact CH2-CG2 4.15Å; W870-I929 HydrophobicContact CZ3-CG2 3.79Å; L889-I929 HydrophobicContact CD2-CG1 3.87Å; Q925-I929 HydrophobicContact CG-CD1 3.99Å; Q925-I929 VanDerWaalsContact O-CG1 3.23Å; Q925-I929 WeakPolarHBondContact O-CG1 3.34Å; Q925-I929 PolarHBondContact O-N 3.4Å; F926-I929 PolarHBondContact O-N 3.21Å; I929-L931 PolarHBondContact O-N 3.05Å; I929-T932 WeakPolarHBondContact CA-OG1 3.16Å; I929-T932 PolarHBondContact O-N 3.08Å; I929-T932 PolarHBondContact O-OG1 3.43Å; I929-L933 HydrophobicContact CG2-CB 4.35Å; I929-L933 HydrophobicContact CG2-CD1 3.74Å; I929-L933 HydrophobicContact CG2-CG 4.15Å; I929-L933 WeakPolarHBondContact O-CA 3.36Å; I929-L933 WeakPolarHBondContact O-CB 3.4Å; I929-L933 PolarHBondContact O-N 3.48Å; I929-G934 PolarHBondContact O-N 3.08Å
930M74.9Confident67.5Low0 Ų038.9 Ų38.90%020%0.201CC..Iπ-helixtrans-65-41-178.6-175.2-86.2-8400111.7F862 F869 F926 V927 L928 G934 L935F862-M930 HydrophobicContact CD1-CE 3.76Å; F862-M930 HydrophobicContact CE1-CE 3.24Å; F862-M930 HydrophobicContact CZ-CE 4.13Å; F869-M930 HydrophobicContact CB-CG 4.36Å; F869-M930 HydrophobicContact CB-SD 3.7Å; F869-M930 HydrophobicContact CD2-CE 4.14Å; F869-M930 HydrophobicContact CD2-SD 3.62Å; F869-M930 HydrophobicContact CG-SD 4.16Å; F926-M930 HydrophobicContact CE1-CB 4.43Å; F926-M930 VanDerWaalsContact O-CB 3.23Å; F926-M930 WeakPolarHBondContact O-CB 3.37Å; F926-M930 PolarHBondContact O-N 2.74Å; V927-M930 PolarHBondContact O-N 2.96Å; L928-M930 VanDerWaalsContact C-N 3.32Å; L928-M930 PolarHBondContact O-N 2.92Å; M930-G934 CarbonylContact O-C 3.43Å; M930-G934 WeakPolarHBondContact O-CA 3.33Å; M930-G934 PolarHBondContact O-N 3.17Å; M930-L935 PolarHBondContact O-N 2.85Å
931L73.8Confident65.9Low8 Ų843.6 Ų43.64%0.04223%0.227CC..Iπ-helixtrans-69-39.2174.9-71.3175.6000112.4F862 V927 L928 I929 L935 L937 I966 F970 I975 L985F862-L931 HydrophobicContact CE1-CD1 4.47Å; F862-L931 HydrophobicContact CE1-CD2 4.2Å; F862-L931 HydrophobicContact CE1-CG 4.28Å; F862-L931 HydrophobicContact CZ-CD2 3.97Å; F862-L931 HydrophobicContact CZ-CG 4.45Å; V927-L931 HydrophobicContact CG1-CD1 4.02Å; V927-L931 HydrophobicContact CG1-CG 4.45Å; V927-L931 WeakPolarHBondContact O-CG 3.5Å; V927-L931 PolarHBondContact O-N 3.47Å; L928-L931 PolarHBondContact O-N 3.05Å; I929-L931 PolarHBondContact O-N 3.05Å; L931-L935 HydrophobicContact CD2-CD1 3.74Å; L931-L935 WeakPolarHBondContact O-CB 3.29Å; L931-L937 WeakPolarHBondContact O-CD1 3.28Å; L931-I966 HydrophobicContact CD1-CG2 4.36Å; L931-F970 HydrophobicContact CD1-CE2 4.48Å; L931-F970 HydrophobicContact CD1-CZ 4.19Å; L931-I975 HydrophobicContact CD1-CD1 3.62Å; L931-L985 HydrophobicContact CD2-CD2 4.23Å
932T66.9Low64.4Low13 Ų1345.3 Ų45.38%0.0824%0.243CC..Iπ-helixtrans-79.6-57.3-176.551.70000112.7L889 W892 L928 I929 N936 L937 I938L889-T932 HydrophobicContact CD1-CG2 4.44Å; W892-T932 HydrophobicContact CZ3-CG2 4.05Å; L928-T932 HydrophobicContact CD1-CG2 4.13Å; L928-T932 HydrophobicContact CG-CG2 4.45Å; L928-T932 WeakPolarHBondContact O-CB 3.4Å; L928-T932 VanDerWaalsContact O-CG2 3.26Å; L928-T932 WeakPolarHBondContact O-CG2 3.39Å; L928-T932 PolarHBondContact O-N 3.3Å; L928-T932 PolarHBondContact O-OG1 3.33Å; I929-T932 WeakPolarHBondContact CA-OG1 3.16Å; I929-T932 PolarHBondContact O-N 3.08Å; I929-T932 PolarHBondContact O-OG1 3.43Å; T932-N936 VanDerWaalsContact O-CA 3.29Å; T932-N936 WeakPolarHBondContact O-CA 3.42Å; T932-N936 PolarHBondContact O-N 3.5Å; T932-L937 PolarHBondContact O-N 3.04Å; T932-I938 HydrophobicContact CG2-CD1 3.82Å; T932-I938 HydrophobicContact CG2-CG1 4.45Å
933L63Low62.8Low39 Ų3941.5 Ų41.520%0.20423%0.228CC..Iπ-helixtrans-84.8-33.6-177.7-59.4-174000113.4N873 L881 I929N873-L933 PolarHBondContact ND2-O 2.87Å; L881-L933 HydrophobicContact CD1-CD1 4.29Å; L881-L933 HydrophobicContact CD2-CD2 4.07Å; I929-L933 HydrophobicContact CG2-CB 4.35Å; I929-L933 HydrophobicContact CG2-CD1 3.74Å; I929-L933 HydrophobicContact CG2-CG 4.15Å; I929-L933 WeakPolarHBondContact O-CA 3.36Å; I929-L933 WeakPolarHBondContact O-CB 3.4Å; I929-L933 PolarHBondContact O-N 3.48Å
934G60.2Low60.7Low4 Ų442.1 Ų42.14%0.04124%0.237CC..Iπ-helixtrans-73.4-46-179.200000112.1L872 I929 M930L872-G934 WeakPolarHBondContact CB-O 3.49Å; L872-G934 WeakPolarHBondContact CD1-O 3.17Å; I929-G934 PolarHBondContact O-N 3.08Å; M930-G934 CarbonylContact O-C 3.43Å; M930-G934 WeakPolarHBondContact O-CA 3.33Å; M930-G934 PolarHBondContact O-N 3.17Å
935L62.3Low58.8Low30 Ų3049.4 Ų49.416%0.15727%0.271CS..THydrogen-bonded Turntrans-89.3-5.5176.9-61.2172.7000113.7F869 L872 M930 L931 L937 L985 L988F869-L935 HydrophobicContact CB-CD2 4.14Å; F869-L935 HydrophobicContact CD1-CD2 4.17Å; F869-L935 HydrophobicContact CD2-CD2 4.09Å; F869-L935 HydrophobicContact CD2-CG 4.49Å; F869-L935 HydrophobicContact CG-CD2 3.88Å; L872-L935 HydrophobicContact CD1-CD2 3.73Å; M930-L935 PolarHBondContact O-N 2.85Å; L931-L935 HydrophobicContact CD2-CD1 3.74Å; L931-L935 WeakPolarHBondContact O-CB 3.29Å; L935-L937 VanDerWaalsContact C-N 3.28Å; L935-L937 HydrophobicContact CB-CD1 4.41Å; L935-L937 HydrophobicContact CB-CG 3.98Å; L935-L937 HydrophobicContact CD1-CD1 4.35Å; L935-L937 PolarHBondContact O-N 3.3Å; L935-L985 HydrophobicContact CD1-CD2 3.63Å; L935-L988 HydrophobicContact CD2-CD1 3.89Å; L935-L988 HydrophobicContact CD2-CD2 3.89Å
936N57.8Low57.2Low109 Ų10949.4 Ų49.458%0.58327%0.273SS*.THydrogen-bonded Turntrans53.342.9-175.7-161.146.7000112.7T932 I938T932-N936 VanDerWaalsContact O-CA 3.29Å; T932-N936 WeakPolarHBondContact O-CA 3.42Å; T932-N936 PolarHBondContact O-N 3.5Å; N936-I938 PolarHBondContact O-N 3.05Å; N936-I938 VanDerWaalsContact O-N 3.14Å
937L54.9Low55.4Low73 Ų7352.2 Ų52.238%0.38230%0.298SS..  trans-68.9-5179.7-72.1173.6000113.2L931 T932 L935 I966L931-L937 WeakPolarHBondContact O-CD1 3.28Å; T932-L937 PolarHBondContact O-N 3.04Å; L935-L937 VanDerWaalsContact C-N 3.28Å; L935-L937 HydrophobicContact CB-CD1 4.41Å; L935-L937 HydrophobicContact CB-CG 3.98Å; L935-L937 HydrophobicContact CD1-CD1 4.35Å; L935-L937 PolarHBondContact O-N 3.3Å; L937-I966 HydrophobicContact CD1-CD1 3.87Å
938I46.3Very low53.4Low10 Ų1058 Ų585%0.05133%0.333CS..  trans-124.5115.6-179.8-39.5163.6000109.4W892 T932 N936 I940 F964W892-I938 HydrophobicContact CH2-CD1 3.57Å; W892-I938 HydrophobicContact CH2-CG1 4.16Å; W892-I938 HydrophobicContact CZ3-CD1 3.44Å; W892-I938 VanDerWaalsContact CZ3-CD1 3.44Å; W892-I938 HydrophobicContact CZ3-CG1 4.33Å; T932-I938 HydrophobicContact CG2-CD1 3.82Å; T932-I938 HydrophobicContact CG2-CG1 4.45Å; N936-I938 PolarHBondContact O-N 3.05Å; N936-I938 VanDerWaalsContact O-N 3.14Å; I938-I940 HydrophobicContact CB-CG1 3.81Å; I938-I940 HydrophobicContact CD1-CG1 4.47Å; I938-I940 HydrophobicContact CG2-CB 4.19Å; I938-I940 HydrophobicContact CG2-CG1 3.5Å; I938-I940 VanDerWaalsContact CG2-CG1 3.5Å; I938-I940 PolarHBondContact O-N 3.5Å; I938-F964 HydrophobicContact CG1-CE1 4.28Å; I938-F964 HydrophobicContact CG1-CZ 4.26Å; I938-F964 HydrophobicContact CG2-CZ 4.21Å
939P43.3Very low51.4Low89 Ų8963.7 Ų63.758%0.57836%0.363SS*.  trans-77.694.5149.429.3-24.4000107.1N941 S942P939-N941 PolarHBondContact O-N 3.4Å; P939-S942 PolarHBondContact O-N 3Å; P939-S942 PolarHBondContact O-OG 3.35Å
940I44.6Very low49.7Very low29 Ų2966.2 Ų66.215%0.14938%0.377CS..G310 helixtrans-62.5-14.5-171.2-55.6160.9000112.5E885 I938 S942 C943E885-I940 HydrophobicContact CB-CD1 4.07Å; E885-I940 HydrophobicContact CB-CG2 4.05Å; E885-I940 HydrophobicContact CG-CB 4.24Å; E885-I940 HydrophobicContact CG-CD1 4.04Å; E885-I940 HydrophobicContact CG-CG2 3.46Å; E885-I940 VanDerWaalsContact CG-CG2 3.46Å; E885-I940 VanDerWaalsContact OE1-CB 3.31Å; E885-I940 WeakPolarHBondContact OE1-CB 3.43Å; E885-I940 WeakPolarHBondContact OE1-CG2 3.43Å; E885-I940 WeakPolarHBondContact OE2-CD1 2.86Å; I938-I940 HydrophobicContact CB-CG1 3.81Å; I938-I940 HydrophobicContact CD1-CG1 4.47Å; I938-I940 HydrophobicContact CG2-CB 4.19Å; I938-I940 HydrophobicContact CG2-CG1 3.5Å; I938-I940 VanDerWaalsContact CG2-CG1 3.5Å; I938-I940 PolarHBondContact O-N 3.5Å; I940-S942 VanDerWaalsContact C-N 3.28Å; I940-S942 PolarHBondContact O-N 3.31Å; I940-C943 PolarHBondContact O-N 3.06Å
941N42.6Very low48.2Very low149 Ų14976 Ų7680%0.79742%0.419SS*.G310 helixtrans-60.7-25.5176.2-73.2-4.1000114.9P939P939-N941 PolarHBondContact O-N 3.4Å
942S42.6Very low46.7Very low79 Ų7980.4 Ų80.455%0.55244%0.443SS*.G310 helixtrans-87-20.9-179.250.80000114.7P939 I940P939-S942 PolarHBondContact O-N 3Å; P939-S942 PolarHBondContact O-OG 3.35Å; I940-S942 VanDerWaalsContact C-N 3.28Å; I940-S942 PolarHBondContact O-N 3.31Å
943C40.5Very low45.7Very low19 Ų1986.5 Ų86.513%0.12848%0.475CS..G310 helixtrans-81.9-13.5-178.8-700000113.9L888 I940 E945 I946L888-C943 HydrophobicContact CD2-CB 4.35Å; I940-C943 PolarHBondContact O-N 3.06Å; C943-E945 PolarHBondContact O-N 2.94Å; C943-I946 PolarHBondContact O-N 3.43Å
944C38.3Very low44.9Very low67 Ų6788.1 Ų88.145%0.45349%0.49SS..G310 helixtrans-65.8-23.7-177.8-78.20000113.5I946 S947C944-I946 VanDerWaalsContact C-N 3.31Å; C944-I946 PolarHBondContact O-N 3Å; C944-S947 PolarHBondContact O-OG 3.49Å
945E38.6Very low44.2Very low170 Ų17091.1 Ų91.179%0.79451%0.505SS*.G310 helixtrans-73.8-18.1178.3-71.4-171.5163.500113.8C943C943-E945 PolarHBondContact O-N 2.94Å
946I41.4Very low43.4Very low64 Ų6492.6 Ų92.633%0.32851%0.512SS..G310 helixtrans-89.1-22.8-173.4-58.2172.1000112.3C943 C944 V948 L949 E963C943-I946 PolarHBondContact O-N 3.43Å; C944-I946 VanDerWaalsContact C-N 3.31Å; C944-I946 PolarHBondContact O-N 3Å; I946-V948 PolarHBondContact O-N 3.25Å; I946-L949 PolarHBondContact O-N 3Å; I946-E963 WeakPolarHBondContact CD1-OE1 3.2Å
947S40.1Very low42.7Very low106 Ų10689.5 Ų89.574%0.74150%0.499SS*.G310 helixtrans-62.8-12.6-178.766.90000114.9C944C944-S947 PolarHBondContact O-OG 3.49Å
948V39.1Very low42.3Very low120 Ų12091.1 Ų91.173%0.72751%0.508SS*.G310 helixtrans-98.3-15.6-177.4-177.40000113I946I946-V948 PolarHBondContact O-N 3.25Å
949L35.8Very low42.1Very low124 Ų12494.6 Ų94.665%0.64952%0.524SS*.SBendtrans-128.782.9-173-67.8169000111.5I946I946-L949 PolarHBondContact O-N 3Å
950N37Very low42.1Very low88 Ų8891.4 Ų91.447%0.47150%0.502SS..  trans162.1124.3130.3-81.3-16.4000111.3D952N950-D952 VanDerWaalsContact C-N 3.29Å; N950-D952 PolarHBondContact O-N 3.36Å
951K43.4Very low42.2Very low206 Ų20690.7 Ų90.790%0.89650%0.501SS*.  trans-85.26.3178.2-89.1-179174.6176.10113.8
952D41.6Very low42.4Very low100 Ų10089.5 Ų89.554%0.53550%0.498SS..  trans-99.7102.3179.2-64.4-27000109.9N950 S954 D955N950-D952 VanDerWaalsContact C-N 3.29Å; N950-D952 PolarHBondContact O-N 3.36Å; D952-S954 PolarHBondContact O-N 2.9Å; D952-D955 PolarHBondContact O-N 3.23Å; D952-D955 VanDerWaalsContact O-N 3.11Å
953N46Very low42.6Very low141 Ų14190 Ų9075%0.75449%0.492SS*.THydrogen-bonded Turntrans-57.9-16.2-175.2-76.1-30.5000114.4
954S47.7Very low43.2Very low74 Ų7491.1 Ų91.152%0.51750%0.495SS..THydrogen-bonded Turntrans-76.7-30.7177.153.30000113.8D952 S957D952-S954 PolarHBondContact O-N 2.9Å; S954-S957 PolarHBondContact O-OG 3.37Å
955D45Very low44Very low66 Ų6691.6 Ų91.635%0.35350%0.497SS..Hα-helixtrans-81.8-28.7-173.1-73.5-8.3000112.1D952 S957 N958 Q959D952-D955 PolarHBondContact O-N 3.23Å; D952-D955 VanDerWaalsContact O-N 3.11Å; D955-S957 VanDerWaalsContact C-N 3.28Å; D955-S957 PolarHBondContact O-N 3.49Å; D955-N958 PolarHBondContact O-N 3.34Å; D955-N958 VanDerWaalsContact O-N 3.12Å; D955-Q959 PolarHBondContact O-N 2.99Å
956I45Very low45.3Very low62 Ų6285.4 Ų85.432%0.31847%0.469SS..Hα-helixtrans-63.8-32.9176.1-61.7169.6000111.1I960I956-I960 HydrophobicContact CG2-CD1 3.45Å; I956-I960 VanDerWaalsContact CG2-CD1 3.45Å; I956-I960 HydrophobicContact CG2-CG1 4.1Å; I956-I960 VanDerWaalsContact O-CB 3.23Å; I956-I960 WeakPolarHBondContact O-CB 3.37Å; I956-I960 WeakPolarHBondContact O-CD1 3.49Å; I956-I960 WeakPolarHBondContact O-CG1 3.49Å; I956-I960 PolarHBondContact O-N 3.03Å
957S43.9Very low46.1Very low44 Ų4483 Ų8331%0.30846%0.457SS..Hα-helixtrans-63.4-44.6170.524.30000113.5S954 D955 A961S954-S957 PolarHBondContact O-OG 3.37Å; D955-S957 VanDerWaalsContact C-N 3.28Å; D955-S957 PolarHBondContact O-N 3.49Å; S957-A961 WeakPolarHBondContact O-CB 3.49Å; S957-A961 PolarHBondContact O-N 3.41Å
958N44.9Very low47.4Very low107 Ų10781 Ų8157%0.57244%0.435SS*.Hα-helixtrans-72.2-40-178.2-68.4-19.3000111D955 A961 V962D955-N958 PolarHBondContact O-N 3.34Å; D955-N958 VanDerWaalsContact O-N 3.12Å; N958-A961 PolarHBondContact O-N 3.23Å; N958-V962 WeakPolarHBondContact O-CB 3.4Å; N958-V962 WeakPolarHBondContact O-CG2 3.17Å; N958-V962 PolarHBondContact O-N 3.48Å
959Q42.5Very low49.1Very low82 Ų8275.5 Ų75.538%0.38340%0.402SS..Hα-helixtrans-64.1-46174.5-81.9177.5-25.300112.5D955 A961 V962 E963D955-Q959 PolarHBondContact O-N 2.99Å; Q959-A961 VanDerWaalsContact C-N 3.32Å; Q959-A961 PolarHBondContact O-N 2.97Å; Q959-V962 PolarHBondContact O-N 3.38Å; Q959-E963 PolarHBondContact O-N 3.38Å
960I44.1Very low51.3Low22 Ų2269.7 Ų69.711%0.11337%0.371CS..Hα-helixtrans-65.5-36.3176.3-67.3172.9000111.4I956 V962 E963 F964 I967I956-I960 HydrophobicContact CG2-CD1 3.45Å; I956-I960 VanDerWaalsContact CG2-CD1 3.45Å; I956-I960 HydrophobicContact CG2-CG1 4.1Å; I956-I960 VanDerWaalsContact O-CB 3.23Å; I956-I960 WeakPolarHBondContact O-CB 3.37Å; I956-I960 WeakPolarHBondContact O-CD1 3.49Å; I956-I960 WeakPolarHBondContact O-CG1 3.49Å; I956-I960 PolarHBondContact O-N 3.03Å; I960-V962 VanDerWaalsContact C-N 3.32Å; I960-E963 PolarHBondContact O-N 2.92Å; I960-F964 PolarHBondContact O-N 2.81Å; I960-I967 HydrophobicContact CG2-CD1 3.66Å
961A45.3Very low53.4Low15 Ų1565.7 Ų65.712%0.12435%0.351CS..Hα-helixtrans-63.1-38.8175.700000112.3S957 N958 Q959 H968S957-A961 WeakPolarHBondContact O-CB 3.49Å; S957-A961 PolarHBondContact O-N 3.41Å; N958-A961 PolarHBondContact O-N 3.23Å; Q959-A961 VanDerWaalsContact C-N 3.32Å; Q959-A961 PolarHBondContact O-N 2.97Å; A961-H968 WeakPolarHBondContact CB-NE2 3.4Å
962V47.2Very low55.1Low123 Ų12360.2 Ų60.275%0.74533%0.325SS*.Hα-helixtrans-71.7-39.7176.6171.90000111.1N958 Q959 I960N958-V962 WeakPolarHBondContact O-CB 3.4Å; N958-V962 WeakPolarHBondContact O-CG2 3.17Å; N958-V962 PolarHBondContact O-N 3.48Å; Q959-V962 PolarHBondContact O-N 3.38Å; I960-V962 VanDerWaalsContact C-N 3.32Å
963E46.4Very low57Low90 Ų9058.4 Ų58.442%0.42132%0.317SS..Hα-helixtrans-77.7-35.3-179.3-73.3-171.5164.700113.7I946 Q959 I960I946-E963 WeakPolarHBondContact CD1-OE1 3.2Å; Q959-E963 PolarHBondContact O-N 3.38Å; I960-E963 PolarHBondContact O-N 2.92Å
964F53.6Low58.9Low43 Ų4352.2 Ų52.219%0.18928%0.284CS..  trans-139.782.3-176.4-70.3-79.2000113.1W892 I938 I960 I966 I967W892-F964 HydrophobicContact CH2-CD2 4.16Å; W892-F964 HydrophobicContact CH2-CE2 4.09Å; W892-F964 HydrophobicContact CH2-CZ 4.45Å; W892-F964 HydrophobicContact CZ2-CD2 4.1Å; W892-F964 HydrophobicContact CZ2-CE2 4.2Å; I938-F964 HydrophobicContact CG1-CE1 4.28Å; I938-F964 HydrophobicContact CG1-CZ 4.26Å; I938-F964 HydrophobicContact CG2-CZ 4.21Å; I960-F964 PolarHBondContact O-N 2.81Å; F964-I966 PolarHBondContact O-N 3.16Å; F964-I967 HydrophobicContact CB-CD1 4.39Å; F964-I967 PolarHBondContact O-N 3.08Å
965P56.5Low60.7Low76 Ų7648.7 Ų48.749%0.49426%0.26SS..G310 helixtrans-61.9-16.7-179.721.6-32000114.3I967 H968P965-I967 VanDerWaalsContact C-N 3.26Å; P965-I967 PolarHBondContact O-N 3.47Å; P965-H968 PolarHBondContact O-N 2.97Å
966I64Low62.6Low40 Ų4045.9 Ų45.921%0.20525%0.245CC..G310 helixtrans-59.6-33177.9-76.4167.8000112.6L931 L937 F964 H968 Q969 F970 Q981L931-I966 HydrophobicContact CD1-CG2 4.36Å; L937-I966 HydrophobicContact CD1-CD1 3.87Å; F964-I966 PolarHBondContact O-N 3.16Å; I966-H968 PolarHBondContact O-N 3.32Å; I966-Q969 WeakPolarHBondContact O-CB 3.37Å; I966-Q969 WeakPolarHBondContact O-CG 3.45Å; I966-Q969 PolarHBondContact O-N 2.94Å; I966-F970 HydrophobicContact CG2-CE2 3.85Å; I966-F970 WeakPolarHBondContact O-CD2 3.33Å; I966-Q981 VanDerWaalsContact CG1-NE2 3.34Å
967I59.4Low64.3Low15 Ų1543.1 Ų43.18%0.07723%0.23CC..G310 helixtrans-61.2-35.2-178.2-68.9173.1000111W892 L896 I960 F964 P965 Q969 F970W892-I967 HydrophobicContact CD2-CD1 4.27Å; W892-I967 HydrophobicContact CG-CD1 4.18Å; L896-I967 HydrophobicContact CD2-CG2 3.77Å; L896-I967 HydrophobicContact CG-CG2 4.28Å; I960-I967 HydrophobicContact CG2-CD1 3.66Å; F964-I967 HydrophobicContact CB-CD1 4.39Å; F964-I967 PolarHBondContact O-N 3.08Å; P965-I967 VanDerWaalsContact C-N 3.26Å; P965-I967 PolarHBondContact O-N 3.47Å; I967-Q969 PolarHBondContact O-N 3.22Å; I967-Q969 VanDerWaalsContact O-N 3.1Å; I967-F970 PolarHBondContact O-N 3.44Å
968H66.3Low65.9Low63 Ų6341.9 Ų41.929%0.29222%0.221SC..G310 helixtrans-73.65177.8-70.1-75.3000114.5L485 Y853 A961 P965 I966L485-H968 VanDerWaalsContact CD2-O 3.29Å; L485-H968 WeakPolarHBondContact CD2-O 3.45Å; Y853-H968 PolarHBondContact OH-O 3.48Å; A961-H968 WeakPolarHBondContact CB-NE2 3.4Å; P965-H968 PolarHBondContact O-N 2.97Å; I966-H968 PolarHBondContact O-N 3.32Å
969Q76.5Confident67.1Low4 Ų438.4 Ų38.42%0.01920%0.201CC..G310 helixtrans-110.7-7.9-179.1-43.5177.9-36.800112.2Y853 I966 I967 G971 H976 Q981Y853-Q969 HydrophobicContact CE1-CB 4.22Å; Y853-Q969 HydrophobicContact CE1-CG 3.71Å; I966-Q969 WeakPolarHBondContact O-CB 3.37Å; I966-Q969 WeakPolarHBondContact O-CG 3.45Å; I966-Q969 PolarHBondContact O-N 2.94Å; I967-Q969 PolarHBondContact O-N 3.22Å; I967-Q969 VanDerWaalsContact O-N 3.1Å; Q969-G971 PolarHBondContact O-N 3.13Å; Q969-H976 HydrophobicContact CB-CB 4.45Å; Q969-H976 WeakPolarHBondContact CB-O 3.41Å; Q969-H976 PolarHBondContact O-N 3.47Å; Q969-H976 PolarHBondContact O-ND1 2.93Å; Q969-Q981 VanDerWaalsContact CD-OE1 3.27Å; Q969-Q981 VanDerWaalsContact OE1-CD 3.3Å
970F80.2Confident68.4Low2 Ų238.4 Ų38.41%0.00921%0.21CC..BIsolated β-bridgetrans-76.2108.2169.9-78-102.9000108.8L485 Y859 L896 V927 L928 L931 I966 I967 I975L485-F970 WeakPolarHBondContact CD2-O 3.38Å; Y859-F970 AromaticContact CE1-CD1 3.78Å; Y859-F970 HydrophobicContact CE1-CD1 3.78Å; Y859-F970 HydrophobicContact CE1-CE1 4.15Å; L896-F970 HydrophobicContact CD1-CD1 4.35Å; L896-F970 HydrophobicContact CD1-CG 4.3Å; L896-F970 HydrophobicContact CD2-CB 3.51Å; L896-F970 HydrophobicContact CD2-CD2 4.25Å; L896-F970 HydrophobicContact CD2-CG 3.89Å; V927-F970 HydrophobicContact CB-CE1 4.29Å; V927-F970 HydrophobicContact CG1-CE1 3.94Å; V927-F970 HydrophobicContact CG1-CZ 4.02Å; L928-F970 HydrophobicContact CB-CE1 4.26Å; L928-F970 HydrophobicContact CB-CZ 4.05Å; L928-F970 HydrophobicContact CD1-CE2 4.22Å; L928-F970 HydrophobicContact CD1-CZ 4.03Å; L931-F970 HydrophobicContact CD1-CE2 4.48Å; L931-F970 HydrophobicContact CD1-CZ 4.19Å; I966-F970 HydrophobicContact CG2-CE2 3.85Å; I966-F970 WeakPolarHBondContact O-CD2 3.33Å; I967-F970 PolarHBondContact O-N 3.44Å; F970-I975 HydrophobicContact CE1-CD1 4.27Å; F970-I975 HydrophobicContact CE2-CD1 4.05Å; F970-I975 HydrophobicContact CZ-CD1 3.9Å
971G81Confident70Confident4 Ų439.1 Ų39.14%0.04121%0.213CC..  trans-77.7-164.8170.200000112.5E483 Y859 Q924 Q969 C974E483-G971 CarbonylContact O-C 3.48Å; E483-G971 WeakPolarHBondContact O-CA 3.43Å; E483-G971 VanDerWaalsContact OE2-CA 3.31Å; E483-G971 WeakPolarHBondContact OE2-CA 3.35Å; Y859-G971 PolarHBondContact OH-O 3.19Å; Q924-G971 PolarHBondContact NE2-O 3.12Å; Q969-G971 PolarHBondContact O-N 3.13Å; G971-C974 VanDerWaalsContact CA-O 3.3Å; G971-C974 WeakPolarHBondContact CA-O 3.44Å; G971-C974 PolarHBondContact N-O 3.16Å
972R80Confident71.6Confident92 Ų9238.8 Ų38.835%0.34721%0.209SC..SBendtrans-78.8-36.7175.4-69.3-175-174.1143.4-1.8112.2E482 E483 N900 I920 Q924E482-R972 VanDerWaalsContact O-CD 3.29Å; E482-R972 WeakPolarHBondContact O-CD 3.46Å; E482-R972 PolarHBondContact O-NH1 2.93Å; E483-R972 PolarHBondContact O-N 3.12Å; E483-R972 PolarHBondContact OE2-N 2.9Å; N900-R972 PolarHBondContact O-NH2 3.39Å; I920-R972 WeakPolarHBondContact CG2-O 3.49Å; Q924-R972 PolarHBondContact NE2-O 2.94Å
973T80.9Confident72.9Confident61 Ų6137.2 Ų37.237%0.37419%0.193SC..SBendtrans-124.8-19.5-176.274.50000113.3E483 Y859E483-T973 WeakPolarHBondContact OE1-CB 3.37Å; E483-T973 PolarHBondContact OE1-N 3.11Å; E483-T973 PolarHBondContact OE1-OG1 3Å; E483-T973 PolarHBondContact OE2-N 2.86Å; Y859-T973 WeakPolarHBondContact CD2-O 3.28Å; Y859-T973 WeakPolarHBondContact CE2-O 3.25Å; Y859-T973 PolarHBondContact N-O 3.23Å
974C86Confident74.5Confident11 Ų1138 Ų387%0.07420%0.197CC..EExtended strand (participates in β ladder)trans-129.6151.8-174.7-640000112.5E483 Y857 Y859 G971 H976E483-C974 PolarHBondContact OE2-N 3.21Å; Y857-C974 CarbonylContact O-C 3.54Å; Y857-C974 WeakPolarHBondContact O-CA 3.44Å; Y857-C974 VanDerWaalsContact O-CB 3.28Å; Y857-C974 WeakPolarHBondContact O-CB 3.42Å; Y859-C974 PolarHBondContact OH-O 2.95Å; G971-C974 VanDerWaalsContact CA-O 3.3Å; G971-C974 WeakPolarHBondContact CA-O 3.44Å; G971-C974 PolarHBondContact N-O 3.16Å; C974-H976 PolarHBondContact O-ND1 3.43Å
975I85.8Confident75.8Confident0 Ų036.4 Ų36.40%019%0.19CC..EExtended strand (participates in β ladder)trans-93.8134.5163-172.4165.4000109K856 Y857 Y859 F862 V927 L931 F970 L977K856-I975 WeakPolarHBondContact CA-O 3.48Å; Y857-I975 PolarHBondContact N-O 3.1Å; Y857-I975 PolarHBondContact O-N 2.83Å; Y859-I975 HydrophobicContact CD1-CB 4.36Å; Y859-I975 HydrophobicContact CE1-CB 3.96Å; F862-I975 HydrophobicContact CB-CG2 3.93Å; F862-I975 HydrophobicContact CD1-CG2 4.37Å; F862-I975 HydrophobicContact CD2-CG2 3.57Å; F862-I975 HydrophobicContact CE2-CG2 4.18Å; F862-I975 HydrophobicContact CG-CG2 3.69Å; V927-I975 HydrophobicContact CG1-CD1 3.66Å; L931-I975 HydrophobicContact CD1-CD1 3.62Å; F970-I975 HydrophobicContact CE1-CD1 4.27Å; F970-I975 HydrophobicContact CE2-CD1 4.05Å; F970-I975 HydrophobicContact CZ-CD1 3.9Å; I975-L977 HydrophobicContact CD1-CD2 4.48Å; I975-L977 HydrophobicContact CG1-CD2 4.38Å
976H84Confident76.9Confident7 Ų733.6 Ų33.63%0.03217%0.171CC..EExtended strand (participates in β ladder)trans-106.7144.6179.1-60.867.9000109E483 L485 Y853 A855 Q969 C974E483-H976 IonicContact OE2-CE1 3.34Å; L485-H976 HydrophobicContact CD1-CB 4.19Å; L485-H976 WeakPolarHBondContact CD1-ND1 3.31Å; Y853-H976 HydrophobicContact CD1-CB 4.04Å; Y853-H976 HydrophobicContact CD2-CB 3.47Å; Y853-H976 VanDerWaalsContact CD2-CB 3.47Å; Y853-H976 AromaticContact CD2-CD2 4Å; Y853-H976 AromaticContact CD2-CG 3.96Å; Y853-H976 HydrophobicContact CE2-CB 4.09Å; Y853-H976 HydrophobicContact CG-CB 3.45Å; Y853-H976 VanDerWaalsContact CG-CB 3.45Å; A855-H976 CarbonylContact O-C 3.54Å; A855-H976 WeakPolarHBondContact O-CA 3.48Å; Q969-H976 HydrophobicContact CB-CB 4.45Å; Q969-H976 WeakPolarHBondContact CB-O 3.41Å; Q969-H976 PolarHBondContact O-N 3.47Å; Q969-H976 PolarHBondContact O-ND1 2.93Å; C974-H976 PolarHBondContact O-ND1 3.43Å
977L81.4Confident77.6Confident4 Ų435.8 Ų35.82%0.02119%0.187CC..EExtended strand (participates in β ladder)trans-131.6136.1-175.3-59.4169.4000109.3Y854 A855 Y857 F862 I975 Q981 F982 L985Y854-L977 PolarHBondContact N-O 3.5Å; A855-L977 HydrophobicContact CB-CB 4.36Å; A855-L977 PolarHBondContact N-O 2.81Å; A855-L977 VanDerWaalsContact N-O 3.15Å; A855-L977 PolarHBondContact O-N 3.08Å; Y857-L977 HydrophobicContact CD2-CD1 3.9Å; Y857-L977 HydrophobicContact CE2-CD1 3.82Å; F862-L977 HydrophobicContact CE2-CD1 4Å; F862-L977 HydrophobicContact CE2-CD2 4.46Å; I975-L977 HydrophobicContact CD1-CD2 4.48Å; I975-L977 HydrophobicContact CG1-CD2 4.38Å; L977-Q981 HydrophobicContact CB-CB 4.42Å; L977-Q981 HydrophobicContact CD2-CB 4.45Å; L977-F982 HydrophobicContact CB-CB 4.36Å; L977-F982 HydrophobicContact CD1-CD2 4.49Å; L977-L985 HydrophobicContact CD1-CD1 3.86Å; L977-L985 HydrophobicContact CD2-CD1 3.9Å
978T77.2Confident78.6Confident18 Ų1836.9 Ų36.911%0.1119%0.192CC..  trans-67.5163166.169.50000109.8L493 Y853 S980 Q981 F982L493-T978 HydrophobicContact CD1-CG2 4.36Å; L493-T978 HydrophobicContact CD2-CG2 3.55Å; Y853-T978 HydrophobicContact CD1-CG2 4.17Å; Y853-T978 HydrophobicContact CE1-CG2 4.26Å; T978-S980 VanDerWaalsContact C-N 3.32Å; T978-S980 PolarHBondContact O-N 2.87Å; T978-S980 PolarHBondContact OG1-OG 2.63Å; T978-S980 VanDerWaalsContact OG1-OG 3.1Å; T978-Q981 PolarHBondContact O-N 2.97Å; T978-Q981 WeakPolarHBondContact OG1-CB 3.46Å; T978-Q981 VanDerWaalsContact OG1-CD 3.29Å; T978-Q981 WeakPolarHBondContact OG1-CG 3.24Å; T978-Q981 PolarHBondContact OG1-N 2.93Å; T978-Q981 PolarHBondContact OG1-OE1 2.92Å; T978-Q981 VanDerWaalsContact OG1-OE1 3.1Å; T978-F982 WeakPolarHBondContact O-CB 3.42Å; T978-F982 PolarHBondContact O-N 2.85Å
979K69.7Low79.4Confident35 Ų3536.2 Ų36.215%0.15219%0.189CC..Hα-helixtrans-59.3-43.3178.8-168.3165.2-172.51680112.2D9 D12 Y854 Q981 F982 Q983D9-K979 IonicContact OD2-NZ 3.94Å; D9-K979 PolarHBondContact OD2-NZ 3.01Å; D12-K979 VanDerWaalsContact OD1-CD 3.27Å; D12-K979 WeakPolarHBondContact OD1-CD 3.39Å; D12-K979 WeakPolarHBondContact OD1-CE 3.19Å; D12-K979 IonicContact OD1-NZ 2.69Å; D12-K979 PolarHBondContact OD1-NZ 3.21Å; D12-K979 IonicContact OD2-NZ 2.61Å; D12-K979 PolarHBondContact OD2-NZ 2.85Å; Y854-K979 HydrophobicContact CD1-CB 4.34Å; Y854-K979 HydrophobicContact CD1-CG 4.21Å; Y854-K979 HydrophobicContact CD2-CB 3.97Å; Y854-K979 HydrophobicContact CD2-CD 3.73Å; Y854-K979 HydrophobicContact CD2-CG 3.78Å; Y854-K979 HydrophobicContact CE1-CG 4.41Å; Y854-K979 HydrophobicContact CE2-CD 3.79Å; Y854-K979 HydrophobicContact CE2-CG 4.01Å; Y854-K979 HydrophobicContact CG-CB 3.77Å; Y854-K979 HydrophobicContact CG-CD 4.35Å; Y854-K979 HydrophobicContact CG-CG 3.88Å; K979-Q981 PolarHBondContact O-N 3.31Å; K979-F982 PolarHBondContact O-N 3.47Å; K979-Q983 WeakPolarHBondContact O-CB 3.34Å; K979-Q983 VanDerWaalsContact O-CG 3.29Å; K979-Q983 WeakPolarHBondContact O-CG 3.32Å; K979-Q983 PolarHBondContact O-N 3.37Å
980S71.2Confident79.6Confident81 Ų8139.2 Ų39.257%0.56620%0.203SC*.Hα-helixtrans-63-42.517858.20000112.2T978 H984T978-S980 VanDerWaalsContact C-N 3.32Å; T978-S980 PolarHBondContact O-N 2.87Å; T978-S980 PolarHBondContact OG1-OG 2.63Å; T978-S980 VanDerWaalsContact OG1-OG 3.1Å; S980-H984 VanDerWaalsContact O-CB 3.24Å; S980-H984 WeakPolarHBondContact O-CB 3.33Å; S980-H984 PolarHBondContact O-N 3.05Å
981Q77.6Confident79.7Confident37 Ų3745.9 Ų45.917%0.17323%0.232CC..Hα-helixtrans-64.9-46.8175.8-70.8168.2-30.200111.5I966 Q969 L977 T978 K979 Q983 H984 L985I966-Q981 VanDerWaalsContact CG1-NE2 3.34Å; Q969-Q981 VanDerWaalsContact CD-OE1 3.27Å; Q969-Q981 VanDerWaalsContact OE1-CD 3.3Å; L977-Q981 HydrophobicContact CB-CB 4.42Å; L977-Q981 HydrophobicContact CD2-CB 4.45Å; T978-Q981 PolarHBondContact O-N 2.97Å; T978-Q981 WeakPolarHBondContact OG1-CB 3.46Å; T978-Q981 VanDerWaalsContact OG1-CD 3.29Å; T978-Q981 WeakPolarHBondContact OG1-CG 3.24Å; T978-Q981 PolarHBondContact OG1-N 2.93Å; T978-Q981 PolarHBondContact OG1-OE1 2.92Å; T978-Q981 VanDerWaalsContact OG1-OE1 3.1Å; K979-Q981 PolarHBondContact O-N 3.31Å; Q981-Q983 VanDerWaalsContact C-N 3.35Å; Q981-Q983 PolarHBondContact O-N 3.42Å; Q981-H984 PolarHBondContact O-N 3.21Å; Q981-L985 WeakPolarHBondContact O-CB 3.43Å; Q981-L985 VanDerWaalsContact O-CG 3.26Å; Q981-L985 WeakPolarHBondContact O-CG 3.43Å; Q981-L985 PolarHBondContact O-N 3.49Å
982F78.9Confident79.7Confident9 Ų945.7 Ų45.74%0.03923%0.23CC..Hα-helixtrans-57.1-48177.2173.6-88.4000111.7W71 Y854 A855 Y857 L977 T978 K979 L985 T986W71-F982 HydrophobicContact CH2-CE1 4.1Å; W71-F982 AromaticContact CH2-CZ 3.58Å; W71-F982 HydrophobicContact CH2-CZ 3.58Å; W71-F982 HydrophobicContact CZ2-CE1 4.38Å; W71-F982 HydrophobicContact CZ2-CZ 4.02Å; Y854-F982 HydrophobicContact CD1-CB 3.86Å; Y854-F982 AromaticContact CD1-CD1 3.86Å; Y854-F982 HydrophobicContact CD1-CD1 3.86Å; Y854-F982 HydrophobicContact CD1-CD2 4.41Å; Y854-F982 AromaticContact CD1-CG 3.76Å; Y854-F982 HydrophobicContact CD1-CG 3.76Å; Y854-F982 HydrophobicContact CE1-CB 4.34Å; Y854-F982 AromaticContact CE1-CD1 3.45Å; Y854-F982 HydrophobicContact CE1-CD1 3.45Å; Y854-F982 VanDerWaalsContact CE1-CD1 3.45Å; Y854-F982 HydrophobicContact CE1-CD2 4.46Å; Y854-F982 AromaticContact CE1-CE1 3.88Å; Y854-F982 HydrophobicContact CE1-CE1 3.88Å; Y854-F982 AromaticContact CE1-CG 3.81Å; Y854-F982 HydrophobicContact CE1-CG 3.81Å; A855-F982 HydrophobicContact CB-CB 4.25Å; A855-F982 HydrophobicContact CB-CD2 3.32Å; A855-F982 HydrophobicContact CB-CE2 3.96Å; A855-F982 HydrophobicContact CB-CG 3.99Å; Y857-F982 HydrophobicContact CE2-CD2 4.38Å; Y857-F982 HydrophobicContact CE2-CE2 4.4Å; Y857-F982 WeakPolarHBondContact OH-CE2 3.46Å; L977-F982 HydrophobicContact CB-CB 4.36Å; L977-F982 HydrophobicContact CD1-CD2 4.49Å; T978-F982 WeakPolarHBondContact O-CB 3.42Å; T978-F982 PolarHBondContact O-N 2.85Å; K979-F982 PolarHBondContact O-N 3.47Å; F982-L985 PolarHBondContact O-N 3.35Å; F982-T986 WeakPolarHBondContact O-CB 3.32Å; F982-T986 PolarHBondContact O-N 3.45Å; F982-T986 PolarHBondContact O-OG1 3.38Å
983Q75.1Confident80Confident90 Ų9045 Ų4542%0.42123%0.233SC..Hα-helixtrans-63.4-42.7177.7-73.7175.1-11.500111.5K979 Q981 T986 T987K979-Q983 WeakPolarHBondContact O-CB 3.34Å; K979-Q983 VanDerWaalsContact O-CG 3.29Å; K979-Q983 WeakPolarHBondContact O-CG 3.32Å; K979-Q983 PolarHBondContact O-N 3.37Å; Q981-Q983 VanDerWaalsContact C-N 3.35Å; Q981-Q983 PolarHBondContact O-N 3.42Å; Q983-T986 PolarHBondContact O-N 3.07Å; Q983-T987 WeakPolarHBondContact O-CB 3.23Å; Q983-T987 PolarHBondContact O-N 2.92Å; Q983-T987 PolarHBondContact O-OG1 3.1Å
984H78.4Confident80.2Confident107 Ų10746.4 Ų46.450%0.49524%0.238SC..Hα-helixtrans-61.7-49.6177.6-176.269.5000111.7S980 Q981 T986 T987 L988S980-H984 VanDerWaalsContact O-CB 3.24Å; S980-H984 WeakPolarHBondContact O-CB 3.33Å; S980-H984 PolarHBondContact O-N 3.05Å; Q981-H984 PolarHBondContact O-N 3.21Å; H984-T986 VanDerWaalsContact C-N 3.33Å; H984-T986 PolarHBondContact O-N 3.16Å; H984-T987 PolarHBondContact O-N 3.48Å; H984-L988 VanDerWaalsContact O-CB 3.31Å; H984-L988 WeakPolarHBondContact O-CB 3.49Å; H984-L988 PolarHBondContact O-N 3.34Å
985L80.8Confident80.1Confident9 Ų951.1 Ų51.15%0.04725%0.254CS..Hα-helixtrans-61.2-42.5177.3-67.3171.4000111.2F862 Y866 F869 L931 L935 L977 Q981 F982 L988 K989F862-L985 HydrophobicContact CE2-CD1 4.03Å; F862-L985 HydrophobicContact CZ-CD1 4.05Å; Y866-L985 HydrophobicContact CD1-CB 4.36Å; Y866-L985 HydrophobicContact CE1-CB 3.82Å; F869-L985 HydrophobicContact CD2-CD2 4.41Å; F869-L985 HydrophobicContact CE2-CB 4.36Å; F869-L985 HydrophobicContact CE2-CD2 3.66Å; F869-L985 HydrophobicContact CZ-CB 4.39Å; F869-L985 HydrophobicContact CZ-CD2 4.26Å; F869-L985 WeakPolarHBondContact CZ-O 3.32Å; L931-L985 HydrophobicContact CD2-CD2 4.23Å; L935-L985 HydrophobicContact CD1-CD2 3.63Å; L977-L985 HydrophobicContact CD1-CD1 3.86Å; L977-L985 HydrophobicContact CD2-CD1 3.9Å; Q981-L985 WeakPolarHBondContact O-CB 3.43Å; Q981-L985 VanDerWaalsContact O-CG 3.26Å; Q981-L985 WeakPolarHBondContact O-CG 3.43Å; Q981-L985 PolarHBondContact O-N 3.49Å; F982-L985 PolarHBondContact O-N 3.35Å; L985-L988 PolarHBondContact O-N 3.29Å; L985-K989 VanDerWaalsContact O-CB 3.26Å; L985-K989 WeakPolarHBondContact O-CB 3.47Å; L985-K989 PolarHBondContact O-N 2.91Å
986T80.2Confident80Confident16 Ų1653.1 Ų53.110%0.09827%0.265CS..Hα-helixtrans-64.1-47.7179.2-57.70000111.6F982 Q983 H984 L988 K989 E990F982-T986 WeakPolarHBondContact O-CB 3.32Å; F982-T986 PolarHBondContact O-N 3.45Å; F982-T986 PolarHBondContact O-OG1 3.38Å; Q983-T986 PolarHBondContact O-N 3.07Å; H984-T986 VanDerWaalsContact C-N 3.33Å; H984-T986 PolarHBondContact O-N 3.16Å; T986-L988 VanDerWaalsContact C-N 3.33Å; T986-L988 PolarHBondContact O-N 3.03Å; T986-K989 WeakPolarHBondContact O-CB 3.25Å; T986-K989 PolarHBondContact O-N 3.21Å; T986-E990 WeakPolarHBondContact CG2-OE1 3.44Å; T986-E990 WeakPolarHBondContact O-CG 3.27Å; T986-E990 PolarHBondContact O-N 3.28Å
987T79.2Confident80.2Confident87 Ų8755.8 Ų55.853%0.53428%0.282SS..Hα-helixtrans-59.4-44176.9-53.70000111.5Q983 H984 E990 F991Q983-T987 WeakPolarHBondContact O-CB 3.23Å; Q983-T987 PolarHBondContact O-N 2.92Å; Q983-T987 PolarHBondContact O-OG1 3.1Å; H984-T987 PolarHBondContact O-N 3.48Å; T987-E990 PolarHBondContact O-N 2.99Å; T987-F991 WeakPolarHBondContact O-CB 3.23Å; T987-F991 PolarHBondContact O-N 3.36Å
988L80Confident80.5Confident37 Ų3762.5 Ų62.519%0.19431%0.311CS..Hα-helixtrans-66.7-39.9179.3-161150.1000111.3F869 L872 L935 H984 L985 T986 F991 M992F869-L988 HydrophobicContact CD1-CD2 3.39Å; F869-L988 HydrophobicContact CE1-CB 4.2Å; F869-L988 HydrophobicContact CE1-CD2 3.23Å; F869-L988 HydrophobicContact CE1-CG 4.29Å; F869-L988 HydrophobicContact CG-CD2 4.41Å; F869-L988 HydrophobicContact CZ-CB 4.48Å; F869-L988 HydrophobicContact CZ-CD2 4.13Å; L872-L988 HydrophobicContact CD1-CD2 3.87Å; L935-L988 HydrophobicContact CD2-CD1 3.89Å; L935-L988 HydrophobicContact CD2-CD2 3.89Å; H984-L988 VanDerWaalsContact O-CB 3.31Å; H984-L988 WeakPolarHBondContact O-CB 3.49Å; H984-L988 PolarHBondContact O-N 3.34Å; L985-L988 PolarHBondContact O-N 3.29Å; T986-L988 VanDerWaalsContact C-N 3.33Å; T986-L988 PolarHBondContact O-N 3.03Å; L988-F991 WeakPolarHBondContact O-CB 3.38Å; L988-F991 PolarHBondContact O-N 3.4Å; L988-M992 HydrophobicContact CD2-CG 4.13Å; L988-M992 HydrophobicContact CD2-SD 3.91Å; L988-M992 WeakPolarHBondContact O-CG 3.4Å; L988-M992 PolarHBondContact O-N 3.22Å
989K82.6Confident80.9Confident49 Ų4965 Ų6521%0.21333%0.326CS..Hα-helixtrans-61.1-49.6174.6175.8-175.6171.1-177.50111.2Q865 Y866 V868 F869 L985 T986 F991 M992 L993Q865-K989 WeakPolarHBondContact O-CD 3.37Å; Q865-K989 WeakPolarHBondContact O-CE 3.26Å; Q865-K989 PolarHBondContact O-NZ 3.46Å; Y866-K989 HydrophobicContact CD1-CB 4.36Å; Y866-K989 HydrophobicContact CD1-CD 4.02Å; Y866-K989 HydrophobicContact CE1-CB 4.45Å; Y866-K989 HydrophobicContact CE1-CD 4.04Å; V868-K989 HydrophobicContact CG1-CG 4.14Å; F869-K989 HydrophobicContact CE1-CB 3.9Å; F869-K989 HydrophobicContact CZ-CB 3.86Å; L985-K989 VanDerWaalsContact O-CB 3.26Å; L985-K989 WeakPolarHBondContact O-CB 3.47Å; L985-K989 PolarHBondContact O-N 2.91Å; T986-K989 WeakPolarHBondContact O-CB 3.25Å; T986-K989 PolarHBondContact O-N 3.21Å; K989-F991 VanDerWaalsContact C-N 3.3Å; K989-F991 PolarHBondContact O-N 3.47Å; K989-M992 PolarHBondContact O-N 3.24Å; K989-M992 VanDerWaalsContact O-N 3.16Å; K989-L993 HydrophobicContact CD-CD1 4.49Å; K989-L993 HydrophobicContact CG-CD1 3.94Å; K989-L993 HydrophobicContact CG-CG 4.3Å; K989-L993 WeakPolarHBondContact O-CB 3.48Å; K989-L993 WeakPolarHBondContact O-CG 3.37Å; K989-L993 PolarHBondContact O-N 2.71Å
990E82.2Confident81.8Confident67 Ų6768.9 Ų68.931%0.31335%0.347SS..Hα-helixtrans-58-44.3177.1-76.7168.9-155.200111.4T986 T987 M992 L993 N994T986-E990 WeakPolarHBondContact CG2-OE1 3.44Å; T986-E990 WeakPolarHBondContact O-CG 3.27Å; T986-E990 PolarHBondContact O-N 3.28Å; T987-E990 PolarHBondContact O-N 2.99Å; E990-M992 VanDerWaalsContact C-N 3.34Å; E990-M992 PolarHBondContact O-N 3.38Å; E990-L993 PolarHBondContact O-N 3.17Å; E990-N994 VanDerWaalsContact O-CB 3.23Å; E990-N994 WeakPolarHBondContact O-CB 3.47Å; E990-N994 VanDerWaalsContact O-CG 3.28Å; E990-N994 PolarHBondContact O-N 3.49Å; E990-N994 PolarHBondContact O-ND2 3.5Å
991F82.7Confident82.8Confident142 Ų14269.4 Ų69.462%0.62334%0.341SS*.Hα-helixtrans-57-46.6174.7177-96.2000112T987 L988 K989 N994 R995T987-F991 WeakPolarHBondContact O-CB 3.23Å; T987-F991 PolarHBondContact O-N 3.36Å; L988-F991 WeakPolarHBondContact O-CB 3.38Å; L988-F991 PolarHBondContact O-N 3.4Å; K989-F991 VanDerWaalsContact C-N 3.3Å; K989-F991 PolarHBondContact O-N 3.47Å; F991-N994 PolarHBondContact O-N 3.19Å; F991-R995 PolarHBondContact O-N 3.2Å
992M80.3Confident83.6Confident1 Ų177.1 Ų77.11%0.00537%0.368CS..Hα-helixtrans-67.1-43178.4-71.4-16576.800113.2V868 F869 Q871 L872 L988 K989 E990 N994 R995 N996V868-M992 HydrophobicContact CG1-CB 4.37Å; V868-M992 HydrophobicContact CG1-SD 4.2Å; V868-M992 HydrophobicContact CG2-CB 3.87Å; V868-M992 HydrophobicContact CG2-CE 4.08Å; V868-M992 HydrophobicContact CG2-SD 4.27Å; V868-M992 WeakPolarHBondContact O-CE 3.48Å; F869-M992 HydrophobicContact CD1-SD 3.6Å; F869-M992 HydrophobicContact CE1-SD 4.23Å; Q871-M992 HydrophobicContact CB-CE 3.91Å; L872-M992 HydrophobicContact CD1-SD 3.88Å; L872-M992 HydrophobicContact CD2-CE 3.96Å; L872-M992 HydrophobicContact CD2-CG 4.5Å; L872-M992 HydrophobicContact CD2-SD 3.88Å; L872-M992 HydrophobicContact CG-CE 3.73Å; L872-M992 HydrophobicContact CG-SD 3.69Å; L988-M992 HydrophobicContact CD2-CG 4.13Å; L988-M992 HydrophobicContact CD2-SD 3.91Å; L988-M992 WeakPolarHBondContact O-CG 3.4Å; L988-M992 PolarHBondContact O-N 3.22Å; K989-M992 PolarHBondContact O-N 3.24Å; K989-M992 VanDerWaalsContact O-N 3.16Å; E990-M992 VanDerWaalsContact C-N 3.34Å; E990-M992 PolarHBondContact O-N 3.38Å; M992-N994 VanDerWaalsContact C-N 3.35Å; M992-R995 WeakPolarHBondContact O-CB 3.4Å; M992-R995 PolarHBondContact O-N 3.07Å; M992-N996 PolarHBondContact O-N 3.35Å
993L85Confident84.2Confident77 Ų7782.6 Ų82.640%0.40339%0.392SS..Hα-helixtrans-61.7-45175.4-71.3177.2000110.4K989 E990 R995 N996 V997K989-L993 HydrophobicContact CD-CD1 4.49Å; K989-L993 HydrophobicContact CG-CD1 3.94Å; K989-L993 HydrophobicContact CG-CG 4.3Å; K989-L993 WeakPolarHBondContact O-CB 3.48Å; K989-L993 WeakPolarHBondContact O-CG 3.37Å; K989-L993 PolarHBondContact O-N 2.71Å; E990-L993 PolarHBondContact O-N 3.17Å; L993-R995 VanDerWaalsContact C-N 3.33Å; L993-R995 PolarHBondContact O-N 2.99Å; L993-N996 PolarHBondContact O-N 2.99Å; L993-N996 VanDerWaalsContact O-N 3.12Å; L993-V997 WeakPolarHBondContact O-CB 3.5Å; L993-V997 VanDerWaalsContact O-CG2 3.27Å; L993-V997 WeakPolarHBondContact O-CG2 3.43Å; L993-V997 PolarHBondContact O-N 3.37Å
994N85.7Confident85Confident91 Ų9184.5 Ų84.549%0.48740%0.399SS..Hα-helixtrans-60.3-40.1175.9-80.4-34.7000112.5E990 F991 M992 K998E990-N994 VanDerWaalsContact O-CB 3.23Å; E990-N994 WeakPolarHBondContact O-CB 3.47Å; E990-N994 VanDerWaalsContact O-CG 3.28Å; E990-N994 PolarHBondContact O-N 3.49Å; E990-N994 PolarHBondContact O-ND2 3.5Å; F991-N994 PolarHBondContact O-N 3.19Å; M992-N994 VanDerWaalsContact C-N 3.35Å; N994-K998 WeakPolarHBondContact O-CB 3.33Å; N994-K998 VanDerWaalsContact O-CG 3.27Å; N994-K998 WeakPolarHBondContact O-CG 3.49Å; N994-K998 PolarHBondContact O-N 2.9Å
995R83.4Confident85.6Confident109 Ų10985.7 Ų85.741%0.41140%0.403SS..Hα-helixtrans-59.5-48.4172.5-173.2-177.275.2173.12.4111F991 M992 L993 K998 V999F991-R995 PolarHBondContact O-N 3.2Å; M992-R995 WeakPolarHBondContact O-CB 3.4Å; M992-R995 PolarHBondContact O-N 3.07Å; L993-R995 VanDerWaalsContact C-N 3.33Å; L993-R995 PolarHBondContact O-N 2.99Å; R995-K998 PolarHBondContact O-N 3.4Å; R995-V999 WeakPolarHBondContact O-CG2 3.26Å; R995-V999 PolarHBondContact O-N 2.74Å; R995-V999 VanDerWaalsContact O-N 3.14Å
996N83.7Confident86.1Confident42 Ų4292.4 Ų92.423%0.22543%0.428CS..Hα-helixtrans-66.4-41.5-179-69.6-11.1000112Q871 M992 L993 K998 V999 I1000Q871-N996 PolarHBondContact OE1-ND2 3.09Å; Q871-N996 VanDerWaalsContact OE1-ND2 3.13Å; M992-N996 PolarHBondContact O-N 3.35Å; L993-N996 PolarHBondContact O-N 2.99Å; L993-N996 VanDerWaalsContact O-N 3.12Å; N996-K998 PolarHBondContact O-N 3.4Å; N996-V999 WeakPolarHBondContact O-CB 3.22Å; N996-V999 PolarHBondContact O-N 2.86Å; N996-I1000 WeakPolarHBondContact O-CG1 3.07Å; N996-I1000 PolarHBondContact O-N 3.13Å
997V88.6Confident86.7Confident63 Ų6395.5 Ų95.538%0.38245%0.449SS..Hα-helixtrans-59.5-45.5174.2169.50000110.8L993 V999 I1000 Q1001L993-V997 WeakPolarHBondContact O-CB 3.5Å; L993-V997 VanDerWaalsContact O-CG2 3.27Å; L993-V997 WeakPolarHBondContact O-CG2 3.43Å; L993-V997 PolarHBondContact O-N 3.37Å; V997-V999 VanDerWaalsContact C-N 3.29Å; V997-V999 PolarHBondContact O-N 3.16Å; V997-I1000 PolarHBondContact O-N 3.44Å; V997-Q1001 HydrophobicContact CG1-CG 4.18Å; V997-Q1001 WeakPolarHBondContact O-CB 3.4Å; V997-Q1001 VanDerWaalsContact O-CG 3.28Å; V997-Q1001 WeakPolarHBondContact O-CG 3.42Å; V997-Q1001 PolarHBondContact O-N 3.31Å
998K88Confident87.2Confident145 Ų14595.5 Ų95.563%0.6345%0.446SS*.Hα-helixtrans-59.6-38.6176.1-75.2173.4-178.2179.10112.3N994 R995 N996 R1002N994-K998 WeakPolarHBondContact O-CB 3.33Å; N994-K998 VanDerWaalsContact O-CG 3.27Å; N994-K998 WeakPolarHBondContact O-CG 3.49Å; N994-K998 PolarHBondContact O-N 2.9Å; R995-K998 PolarHBondContact O-N 3.4Å; N996-K998 PolarHBondContact O-N 3.4Å; K998-R1002 WeakPolarHBondContact O-CB 3.1Å; K998-R1002 PolarHBondContact O-N 3.25Å
999V86.7Confident87.7Confident71 Ų71101.6 Ų101.643%0.4347%0.47SS..Hα-helixtrans-63.5-50.5174.6174.40000110.5R995 N996 V997 Q1001 R1002 F1003R995-V999 WeakPolarHBondContact O-CG2 3.26Å; R995-V999 PolarHBondContact O-N 2.74Å; R995-V999 VanDerWaalsContact O-N 3.14Å; N996-V999 WeakPolarHBondContact O-CB 3.22Å; N996-V999 PolarHBondContact O-N 2.86Å; V997-V999 VanDerWaalsContact C-N 3.29Å; V997-V999 PolarHBondContact O-N 3.16Å; V999-Q1001 PolarHBondContact O-N 2.82Å; V999-R1002 WeakPolarHBondContact O-CB 3.45Å; V999-R1002 PolarHBondContact O-N 3.45Å; V999-R1002 VanDerWaalsContact O-N 3.16Å; V999-F1003 HydrophobicContact CG1-CD2 3.84Å; V999-F1003 HydrophobicContact CG1-CE2 3.76Å; V999-F1003 VanDerWaalsContact O-CD2 3.29Å; V999-F1003 WeakPolarHBondContact O-CD2 3.41Å; V999-F1003 PolarHBondContact O-N 3.47Å
1000I88.5Confident88Confident116 Ų116104 Ų10460%0.59548%0.482SS*.Hα-helixtrans-57.8-48.1178-65.6166.7000110.8N996 V997 R1002 F1003 F1004N996-I1000 WeakPolarHBondContact O-CG1 3.07Å; N996-I1000 PolarHBondContact O-N 3.13Å; V997-I1000 PolarHBondContact O-N 3.44Å; I1000-R1002 VanDerWaalsContact C-N 3.31Å; I1000-R1002 PolarHBondContact O-N 2.98Å; I1000-F1003 PolarHBondContact O-N 2.99Å; I1000-F1004 WeakPolarHBondContact O-CB 3.41Å; I1000-F1004 PolarHBondContact O-N 3.18Å
1001Q91.9Very high88.3Confident93 Ų93107.8 Ų107.844%0.43550%0.498SS..Hα-helixtrans-59.8-39.1177.6-73.1176.8-7.300112.3V997 V999 F1004 K1005V997-Q1001 HydrophobicContact CG1-CG 4.18Å; V997-Q1001 WeakPolarHBondContact O-CB 3.4Å; V997-Q1001 VanDerWaalsContact O-CG 3.28Å; V997-Q1001 WeakPolarHBondContact O-CG 3.42Å; V997-Q1001 PolarHBondContact O-N 3.31Å; V999-Q1001 PolarHBondContact O-N 2.82Å; Q1001-F1004 PolarHBondContact O-N 3.19Å; Q1001-K1005 WeakPolarHBondContact O-CB 3.48Å; Q1001-K1005 VanDerWaalsContact O-CG 3.26Å; Q1001-K1005 WeakPolarHBondContact O-CG 3.39Å; Q1001-K1005 PolarHBondContact O-N 3.38Å
1002R92.9Very high88.7Confident198 Ų198104.8 Ų104.875%0.74749%0.491SS*.Hα-helixtrans-62.2-46.5175.8-179.3-178.2176.6-175.60.1111.4K998 V999 I1000 R1006K998-R1002 WeakPolarHBondContact O-CB 3.1Å; K998-R1002 PolarHBondContact O-N 3.25Å; V999-R1002 WeakPolarHBondContact O-CB 3.45Å; V999-R1002 PolarHBondContact O-N 3.45Å; V999-R1002 VanDerWaalsContact O-N 3.16Å; I1000-R1002 VanDerWaalsContact C-N 3.31Å; I1000-R1002 PolarHBondContact O-N 2.98Å; R1002-R1006 WeakPolarHBondContact O-CB 3.32Å; R1002-R1006 PolarHBondContact O-N 3.3Å
1003F91.8Very high89.1Confident125 Ų125106.8 Ų106.855%0.54851%0.507SS..Hα-helixtrans-64.5-44.3176.6-82.5-79.4000111.7V999 I1000 R1006 C1007V999-F1003 HydrophobicContact CG1-CD2 3.84Å; V999-F1003 HydrophobicContact CG1-CE2 3.76Å; V999-F1003 VanDerWaalsContact O-CD2 3.29Å; V999-F1003 WeakPolarHBondContact O-CD2 3.41Å; V999-F1003 PolarHBondContact O-N 3.47Å; I1000-F1003 PolarHBondContact O-N 2.99Å; F1003-R1006 WeakPolarHBondContact O-CB 3.5Å; F1003-R1006 PolarHBondContact O-N 3.2Å; F1003-C1007 PolarHBondContact O-N 2.85Å; F1003-C1007 PolarHBondContact O-SG 3Å; F1003-C1007 VanDerWaalsContact O-SG 3.37Å
1004F91.8Very high89.4Confident129 Ų129106.4 Ų106.457%0.56651%0.508SS*.Hα-helixtrans-61.2-48.8177.9-178-105.8000112.6I1000 Q1001 R1006 C1007 L1008I1000-F1004 WeakPolarHBondContact O-CB 3.41Å; I1000-F1004 PolarHBondContact O-N 3.18Å; Q1001-F1004 PolarHBondContact O-N 3.19Å; F1004-R1006 VanDerWaalsContact C-N 3.27Å; F1004-R1006 PolarHBondContact O-N 2.92Å; F1004-C1007 WeakPolarHBondContact O-CB 3.5Å; F1004-C1007 PolarHBondContact O-N 3.34Å; F1004-C1007 VanDerWaalsContact O-N 3.14Å; F1004-L1008 HydrophobicContact CD1-CD1 4.01Å; F1004-L1008 HydrophobicContact CE1-CD1 3.5Å; F1004-L1008 VanDerWaalsContact CE1-CD1 3.5Å; F1004-L1008 HydrophobicContact CE1-CG 4.22Å; F1004-L1008 HydrophobicContact CZ-CD1 3.93Å; F1004-L1008 HydrophobicContact CZ-CD2 4.48Å; F1004-L1008 HydrophobicContact CZ-CG 4.28Å; F1004-L1008 PolarHBondContact O-N 3.32Å
1005K92Very high89.6Confident132 Ų132105.4 Ų105.457%0.57451%0.508SS*.Hα-helixtrans-60.4-36.6175.5-73.3176.3-179.7179.90111.9Q1001 L1008 K1009Q1001-K1005 WeakPolarHBondContact O-CB 3.48Å; Q1001-K1005 VanDerWaalsContact O-CG 3.26Å; Q1001-K1005 WeakPolarHBondContact O-CG 3.39Å; Q1001-K1005 PolarHBondContact O-N 3.38Å; K1005-L1008 PolarHBondContact O-N 3.32Å; K1005-K1009 PolarHBondContact O-N 3.09Å
1006R91.7Very high90Very high150 Ų150109 Ų10957%0.56652%0.521SS*.Hα-helixtrans-64.1-45.1174.2179177.1177.7177.61.7111.4R1002 F1003 F1004 L1008 K1009 H1010R1002-R1006 WeakPolarHBondContact O-CB 3.32Å; R1002-R1006 PolarHBondContact O-N 3.3Å; F1003-R1006 WeakPolarHBondContact O-CB 3.5Å; F1003-R1006 PolarHBondContact O-N 3.2Å; F1004-R1006 VanDerWaalsContact C-N 3.27Å; F1004-R1006 PolarHBondContact O-N 2.92Å; R1006-L1008 PolarHBondContact O-N 2.51Å; R1006-K1009 PolarHBondContact O-N 2.91Å; R1006-H1010 PolarHBondContact NE-NE2 3.1Å; R1006-H1010 PolarHBondContact O-CD2 3.28Å; R1006-H1010 VanDerWaalsContact O-CD2 3.23Å; R1006-H1010 PolarHBondContact O-N 2.76Å
1007C91.1Very high90.3Very high82 Ų82112.5 Ų112.555%0.55454%0.539SS*.Hα-helixtrans-60.3-43175.8-68.60000112.2F1003 F1004 K1009 H1010 K1011F1003-C1007 PolarHBondContact O-N 2.85Å; F1003-C1007 PolarHBondContact O-SG 3Å; F1003-C1007 VanDerWaalsContact O-SG 3.37Å; F1004-C1007 WeakPolarHBondContact O-CB 3.5Å; F1004-C1007 PolarHBondContact O-N 3.34Å; F1004-C1007 VanDerWaalsContact O-N 3.14Å; C1007-K1009 PolarHBondContact O-N 3.23Å; C1007-H1010 PolarHBondContact O-N 3.03Å; C1007-K1011 PolarHBondContact O-N 3.18Å
1008L90.8Very high90.5Very high87 Ų87113.9 Ų113.946%0.45554%0.541SS..Hα-helixtrans-61.4-43.7175.5-71.6176.3000112.5F1004 K1005 R1006 K1011 V1012F1004-L1008 HydrophobicContact CD1-CD1 4.01Å; F1004-L1008 HydrophobicContact CE1-CD1 3.5Å; F1004-L1008 VanDerWaalsContact CE1-CD1 3.5Å; F1004-L1008 HydrophobicContact CE1-CG 4.22Å; F1004-L1008 HydrophobicContact CZ-CD1 3.93Å; F1004-L1008 HydrophobicContact CZ-CD2 4.48Å; F1004-L1008 HydrophobicContact CZ-CG 4.28Å; F1004-L1008 PolarHBondContact O-N 3.32Å; K1005-L1008 PolarHBondContact O-N 3.32Å; R1006-L1008 PolarHBondContact O-N 2.51Å; L1008-K1011 WeakPolarHBondContact O-CB 3.38Å; L1008-K1011 PolarHBondContact O-N 3.17Å; L1008-V1012 PolarHBondContact O-N 3.48Å; L1008-V1012 VanDerWaalsContact O-N 3.1Å
1009K90.4Very high90.7Very high165 Ų165113.2 Ų113.272%0.71754%0.54SS*.Hα-helixtrans-63-41.4175.5-76.5-171.4177.1-172.10112.3K1005 R1006 C1007 K1011 V1012 A1013K1005-K1009 PolarHBondContact O-N 3.09Å; R1006-K1009 PolarHBondContact O-N 2.91Å; C1007-K1009 PolarHBondContact O-N 3.23Å; K1009-K1011 VanDerWaalsContact C-N 3.32Å; K1009-K1011 PolarHBondContact O-N 3.25Å; K1009-V1012 PolarHBondContact O-N 3.35Å; K1009-A1013 WeakPolarHBondContact O-CB 3.28Å; K1009-A1013 PolarHBondContact O-N 3.45Å
1010H89Confident91Very high99 Ų99117.3 Ų117.346%0.45855%0.548SS..Hα-helixtrans-61.6-39.8174.8-80.2-62.3000111.9R1006 C1007 A1013 T1014R1006-H1010 PolarHBondContact NE-NE2 3.1Å; R1006-H1010 PolarHBondContact O-CD2 3.28Å; R1006-H1010 VanDerWaalsContact O-CD2 3.23Å; R1006-H1010 PolarHBondContact O-N 2.76Å; C1007-H1010 PolarHBondContact O-N 3.03Å; H1010-A1013 PolarHBondContact O-N 3.3Å; H1010-T1014 WeakPolarHBondContact O-CB 3.07Å; H1010-T1014 PolarHBondContact O-N 3.09Å; H1010-T1014 PolarHBondContact O-OG1 2.73Å
1011K88.5Confident91.1Very high147 Ų147118.1 Ų118.164%0.63954%0.543SS*.Hα-helixtrans-60.6-48.1175.5-168.3176-179.4178.60111.8C1007 L1008 K1009 T1014 C1015C1007-K1011 PolarHBondContact O-N 3.18Å; L1008-K1011 WeakPolarHBondContact O-CB 3.38Å; L1008-K1011 PolarHBondContact O-N 3.17Å; K1009-K1011 VanDerWaalsContact C-N 3.32Å; K1009-K1011 PolarHBondContact O-N 3.25Å; K1011-T1014 PolarHBondContact O-N 3.44Å; K1011-C1015 PolarHBondContact O-N 2.83Å; K1011-C1015 PolarHBondContact O-SG 3.38Å; K1011-C1015 VanDerWaalsContact O-SG 3.35Å
1012V90Very high91.1Very high79 Ų79122 Ų12248%0.47955%0.554SS.*Hα-helixtrans-63.6-44177.5175.50000112L1008 K1009 T1014 C1015 R1016L1008-V1012 PolarHBondContact O-N 3.48Å; L1008-V1012 VanDerWaalsContact O-N 3.1Å; K1009-V1012 PolarHBondContact O-N 3.35Å; V1012-T1014 VanDerWaalsContact C-N 3.32Å; V1012-T1014 PolarHBondContact O-N 2.69Å; V1012-C1015 PolarHBondContact O-N 2.95Å; V1012-R1016 WeakPolarHBondContact O-CG 3.46Å; V1012-R1016 PolarHBondContact O-N 2.97Å
1013A90.3Very high91Very high43 Ų43119.6 Ų119.636%0.35555%0.549SS..Hα-helixtrans-61.4-41.917700000111.5K1009 H1010 R1016 I1017K1009-A1013 WeakPolarHBondContact O-CB 3.28Å; K1009-A1013 PolarHBondContact O-N 3.45Å; H1010-A1013 PolarHBondContact O-N 3.3Å; A1013-R1016 PolarHBondContact O-N 2.98Å; A1013-I1017 VanDerWaalsContact O-CG1 3.27Å; A1013-I1017 WeakPolarHBondContact O-CG1 3.38Å; A1013-I1017 PolarHBondContact O-N 3.46Å
1014T90.8Very high90.8Very high68 Ų68115.6 Ų115.642%0.41753%0.533SS..Hα-helixtrans-60.8-45.8176.2-54.30000111H1010 K1011 V1012 R1016 I1017 Q1018H1010-T1014 WeakPolarHBondContact O-CB 3.07Å; H1010-T1014 PolarHBondContact O-N 3.09Å; H1010-T1014 PolarHBondContact O-OG1 2.73Å; K1011-T1014 PolarHBondContact O-N 3.44Å; V1012-T1014 VanDerWaalsContact C-N 3.32Å; V1012-T1014 PolarHBondContact O-N 2.69Å; T1014-R1016 VanDerWaalsContact C-N 3.34Å; T1014-R1016 PolarHBondContact O-N 3.21Å; T1014-I1017 PolarHBondContact O-N 3.43Å; T1014-Q1018 HydrophobicContact CG2-CG 4.46Å; T1014-Q1018 WeakPolarHBondContact O-CB 3.49Å; T1014-Q1018 VanDerWaalsContact O-CG 3.27Å; T1014-Q1018 WeakPolarHBondContact O-CG 3.35Å; T1014-Q1018 PolarHBondContact O-N 3.22Å
1015C90.1Very high90.6Very high70 Ų70113.4 Ų113.447%0.47353%0.527SS..Hα-helixtrans-60.2-40.8175.3-66.10000112.6K1011 V1012 Q1018 H1019K1011-C1015 PolarHBondContact O-N 2.83Å; K1011-C1015 PolarHBondContact O-SG 3.38Å; K1011-C1015 VanDerWaalsContact O-SG 3.35Å; V1012-C1015 PolarHBondContact O-N 2.95Å; C1015-Q1018 PolarHBondContact O-N 2.96Å; C1015-H1019 WeakPolarHBondContact O-CB 3.32Å; C1015-H1019 PolarHBondContact O-N 2.92Å
1016R91.2Very high90.3Very high186 Ų186111.9 Ų111.970%0.70253%0.525SS*.Hα-helixtrans-65.4-44.8176.7-72.9179.3178.4-179.5-2.5112.2V1012 A1013 T1014 Q1018 H1019 W1020V1012-R1016 WeakPolarHBondContact O-CG 3.46Å; V1012-R1016 PolarHBondContact O-N 2.97Å; A1013-R1016 PolarHBondContact O-N 2.98Å; T1014-R1016 VanDerWaalsContact C-N 3.34Å; T1014-R1016 PolarHBondContact O-N 3.21Å; R1016-Q1018 VanDerWaalsContact C-N 3.34Å; R1016-H1019 PolarHBondContact O-N 2.91Å; R1016-W1020 WeakPolarHBondContact O-CB 3.2Å; R1016-W1020 PolarHBondContact O-N 2.61Å
1017I90.9Very high89.8Confident115 Ų115109.3 Ų109.359%0.5952%0.516SS*.Hα-helixtrans-61.5-44.9176.5-67.9164.9000109.9A1013 T1014 H1019 W1020 W1021A1013-I1017 VanDerWaalsContact O-CG1 3.27Å; A1013-I1017 WeakPolarHBondContact O-CG1 3.38Å; A1013-I1017 PolarHBondContact O-N 3.46Å; T1014-I1017 PolarHBondContact O-N 3.43Å; I1017-H1019 PolarHBondContact O-N 2.97Å; I1017-W1020 PolarHBondContact O-N 3.1Å; I1017-W1021 VanDerWaalsContact O-CB 3.27Å; I1017-W1021 WeakPolarHBondContact O-CB 3.48Å; I1017-W1021 PolarHBondContact O-N 3.1Å
1018Q93.1Very high89.4Confident92 Ų92113 Ų11343%0.4352%0.518SS..Hα-helixtrans-61.7-42.6176-74.1176.2-7.600112.3T1014 C1015 R1016 W1021 R1022T1014-Q1018 HydrophobicContact CG2-CG 4.46Å; T1014-Q1018 WeakPolarHBondContact O-CB 3.49Å; T1014-Q1018 VanDerWaalsContact O-CG 3.27Å; T1014-Q1018 WeakPolarHBondContact O-CG 3.35Å; T1014-Q1018 PolarHBondContact O-N 3.22Å; C1015-Q1018 PolarHBondContact O-N 2.96Å; R1016-Q1018 VanDerWaalsContact C-N 3.34Å; Q1018-W1021 PolarHBondContact O-N 3.02Å; Q1018-R1022 WeakPolarHBondContact O-CB 3.25Å; Q1018-R1022 VanDerWaalsContact O-CG 3.27Å; Q1018-R1022 WeakPolarHBondContact O-CG 3.36Å; Q1018-R1022 PolarHBondContact O-N 3.15Å
1019H91.6Very high88.8Confident131 Ų131115.8 Ų115.861%0.60653%0.526SS*.Hα-helixtrans-61.4-48.8175.917787.6000111.7C1015 R1016 I1017 W1021 R1022 K1023C1015-H1019 WeakPolarHBondContact O-CB 3.32Å; C1015-H1019 PolarHBondContact O-N 2.92Å; R1016-H1019 PolarHBondContact O-N 2.91Å; I1017-H1019 PolarHBondContact O-N 2.97Å; H1019-W1021 VanDerWaalsContact C-N 3.34Å; H1019-W1021 PolarHBondContact O-N 3.04Å; H1019-R1022 PolarHBondContact O-N 3.07Å; H1019-K1023 PolarHBondContact O-N 2.88Å
1020W92.4Very high88.2Confident156 Ų156111.8 Ų111.859%0.59151%0.512SS*.Hα-helixtrans-62.4-41.9178.1-175.181.1000112R1016 I1017 R1022 K1023 I1024R1016-W1020 WeakPolarHBondContact O-CB 3.2Å; R1016-W1020 PolarHBondContact O-N 2.61Å; I1017-W1020 PolarHBondContact O-N 3.1Å; W1020-R1022 PolarHBondContact O-N 3.04Å; W1020-K1023 WeakPolarHBondContact O-CB 3.44Å; W1020-K1023 PolarHBondContact O-N 2.85Å; W1020-K1023 VanDerWaalsContact O-N 3.16Å; W1020-I1024 HydrophobicContact CD2-CD1 3.77Å; W1020-I1024 HydrophobicContact CD2-CG1 4.39Å; W1020-I1024 HydrophobicContact CE3-CD1 3.62Å; W1020-I1024 HydrophobicContact CH2-CD1 3.2Å; W1020-I1024 HydrophobicContact CZ2-CD1 3.35Å; W1020-I1024 HydrophobicContact CZ2-CG1 4.42Å; W1020-I1024 HydrophobicContact CZ3-CD1 3.33Å; W1020-I1024 PolarHBondContact O-N 2.87Å
1021W90.9Very high87.5Confident133 Ų133109.5 Ų109.550%0.50451%0.505SS..Hα-helixtrans-62-43.4175.9-171.7-106000112.2I1017 Q1018 H1019 K1023 I1024 L1025I1017-W1021 VanDerWaalsContact O-CB 3.27Å; I1017-W1021 WeakPolarHBondContact O-CB 3.48Å; I1017-W1021 PolarHBondContact O-N 3.1Å; Q1018-W1021 PolarHBondContact O-N 3.02Å; H1019-W1021 VanDerWaalsContact C-N 3.34Å; H1019-W1021 PolarHBondContact O-N 3.04Å; W1021-K1023 VanDerWaalsContact C-N 3.32Å; W1021-K1023 PolarHBondContact O-N 3.28Å; W1021-I1024 PolarHBondContact O-N 2.84Å; W1021-L1025 WeakPolarHBondContact O-CG 3.3Å; W1021-L1025 PolarHBondContact O-N 3.2Å
1022R92.2Very high86.5Confident175 Ų175106.7 Ų106.766%0.6650%0.504SS*.Hα-helixtrans-61-39.3173.3-72.3173.3-170.9175.33.9111.8Q1018 H1019 W1020 L1025 N1026Q1018-R1022 WeakPolarHBondContact O-CB 3.25Å; Q1018-R1022 VanDerWaalsContact O-CG 3.27Å; Q1018-R1022 WeakPolarHBondContact O-CG 3.36Å; Q1018-R1022 PolarHBondContact O-N 3.15Å; H1019-R1022 PolarHBondContact O-N 3.07Å; W1020-R1022 PolarHBondContact O-N 3.04Å; R1022-L1025 PolarHBondContact O-N 2.98Å; R1022-N1026 WeakPolarHBondContact O-CB 3.41Å; R1022-N1026 PolarHBondContact O-N 2.87Å
1023K89.7Confident85.4Confident148 Ų148106.4 Ų106.464%0.64351%0.505SS*.Hα-helixtrans-62.7-44.1175.3-167.2177.7-178.61780111.6H1019 W1020 W1021 N1026 Y1027H1019-K1023 PolarHBondContact O-N 2.88Å; W1020-K1023 WeakPolarHBondContact O-CB 3.44Å; W1020-K1023 PolarHBondContact O-N 2.85Å; W1020-K1023 VanDerWaalsContact O-N 3.16Å; W1021-K1023 VanDerWaalsContact C-N 3.32Å; W1021-K1023 PolarHBondContact O-N 3.28Å; K1023-N1026 PolarHBondContact O-N 3.39Å; K1023-Y1027 WeakPolarHBondContact O-CB 3.22Å; K1023-Y1027 PolarHBondContact O-N 3.36Å
1024I88.6Confident83.6Confident40 Ų40110.3 Ų110.321%0.20552%0.516CS..Hα-helixtrans-63.5-45.3175.1-73.7-178.5000111.7W1020 W1021 N1026 Y1027 R1028W1020-I1024 HydrophobicContact CD2-CD1 3.77Å; W1020-I1024 HydrophobicContact CD2-CG1 4.39Å; W1020-I1024 HydrophobicContact CE3-CD1 3.62Å; W1020-I1024 HydrophobicContact CH2-CD1 3.2Å; W1020-I1024 HydrophobicContact CZ2-CD1 3.35Å; W1020-I1024 HydrophobicContact CZ2-CG1 4.42Å; W1020-I1024 HydrophobicContact CZ3-CD1 3.33Å; W1020-I1024 PolarHBondContact O-N 2.87Å; W1021-I1024 PolarHBondContact O-N 2.84Å; I1024-N1026 VanDerWaalsContact C-N 3.26Å; I1024-N1026 PolarHBondContact O-N 3.15Å; I1024-Y1027 PolarHBondContact O-N 2.63Å; I1024-R1028 HydrophobicContact CG2-CG 4.35Å; I1024-R1028 WeakPolarHBondContact O-CB 3.35Å; I1024-R1028 WeakPolarHBondContact O-CG 3.37Å; I1024-R1028 PolarHBondContact O-N 3.16Å
1025L87.4Confident81.8Confident84 Ų84111.3 Ų111.344%0.4452%0.523SS..Hα-helixtrans-60.4-40.5177.1-74.4175.5000111W1021 R1022 R1028 K1029W1021-L1025 WeakPolarHBondContact O-CG 3.3Å; W1021-L1025 PolarHBondContact O-N 3.2Å; R1022-L1025 PolarHBondContact O-N 2.98Å; L1025-R1028 PolarHBondContact O-N 3.13Å; L1025-K1029 WeakPolarHBondContact O-CB 3.36Å; L1025-K1029 PolarHBondContact O-N 3.39Å
1026N86Confident80Confident99 Ų99116 Ų11653%0.52954%0.543SS..Hα-helixtrans-66.3-43.1176.4-153.411.4000111.7R1022 K1023 I1024 R1028 K1029 I1030R1022-N1026 WeakPolarHBondContact O-CB 3.41Å; R1022-N1026 PolarHBondContact O-N 2.87Å; K1023-N1026 PolarHBondContact O-N 3.39Å; I1024-N1026 VanDerWaalsContact C-N 3.26Å; I1024-N1026 PolarHBondContact O-N 3.15Å; N1026-R1028 PolarHBondContact O-N 3Å; N1026-K1029 WeakPolarHBondContact O-CB 3.34Å; N1026-K1029 PolarHBondContact O-N 3.45Å; N1026-I1030 WeakPolarHBondContact O-CG1 2.83Å; N1026-I1030 PolarHBondContact O-N 2.79Å
1027Y81.2Confident77.8Confident97 Ų97112.7 Ų112.738%0.3854%0.535SS..Hα-helixtrans-60.2-46.2174.8-164.7-89.8000111.7K1023 I1024 K1029 I1030 V1031 L1045K1023-Y1027 WeakPolarHBondContact O-CB 3.22Å; K1023-Y1027 PolarHBondContact O-N 3.36Å; I1024-Y1027 PolarHBondContact O-N 2.63Å; Y1027-K1029 VanDerWaalsContact C-N 3.3Å; Y1027-K1029 PolarHBondContact O-N 3.39Å; Y1027-I1030 PolarHBondContact O-N 3.13Å; Y1027-V1031 HydrophobicContact CD1-CG2 3.86Å; Y1027-V1031 HydrophobicContact CE1-CG2 3.65Å; Y1027-V1031 VanDerWaalsContact O-CG2 3.31Å; Y1027-V1031 WeakPolarHBondContact O-CG2 2.91Å; Y1027-V1031 PolarHBondContact O-N 3.27Å; Y1027-L1045 HydrophobicContact CE2-CD1 3.91Å
1028R82.7Confident75.6Confident158 Ų158108.8 Ų108.860%0.59652%0.518SS*.Hα-helixtrans-61.3-39.5174.8-75.3-178.6173.4179.8-2111.9I1024 L1025 N1026 V1031 S1032I1024-R1028 HydrophobicContact CG2-CG 4.35Å; I1024-R1028 WeakPolarHBondContact O-CB 3.35Å; I1024-R1028 WeakPolarHBondContact O-CG 3.37Å; I1024-R1028 PolarHBondContact O-N 3.16Å; L1025-R1028 PolarHBondContact O-N 3.13Å; N1026-R1028 PolarHBondContact O-N 3Å; R1028-V1031 PolarHBondContact O-N 2.86Å; R1028-S1032 WeakPolarHBondContact O-CB 3.29Å; R1028-S1032 PolarHBondContact O-N 3.15Å; R1028-S1032 PolarHBondContact O-OG 2.69Å
1029K78.6Confident73.6Confident147 Ų147111.1 Ų111.164%0.63953%0.532SS*.Hα-helixtrans-62.9-47.2176.3-154.8177.1-175.2-175.40110.9L1025 N1026 Y1027 S1032 S1033L1025-K1029 WeakPolarHBondContact O-CB 3.36Å; L1025-K1029 PolarHBondContact O-N 3.39Å; N1026-K1029 WeakPolarHBondContact O-CB 3.34Å; N1026-K1029 PolarHBondContact O-N 3.45Å; Y1027-K1029 VanDerWaalsContact C-N 3.3Å; Y1027-K1029 PolarHBondContact O-N 3.39Å; K1029-S1032 WeakPolarHBondContact CA-OG 3.48Å; K1029-S1032 PolarHBondContact O-N 3.23Å; K1029-S1032 PolarHBondContact O-OG 2.89Å; K1029-S1033 WeakPolarHBondContact O-CB 3.48Å; K1029-S1033 PolarHBondContact O-N 3.35Å; K1029-S1033 PolarHBondContact O-OG 3.32Å
1030I76.7Confident71.5Confident80 Ų80110 Ų11041%0.4153%0.531SS..Hα-helixtrans-59-48.1175.5-67.4164.7000111.3N1026 Y1027 S1032 S1033 H1034N1026-I1030 WeakPolarHBondContact O-CG1 2.83Å; N1026-I1030 PolarHBondContact O-N 2.79Å; Y1027-I1030 PolarHBondContact O-N 3.13Å; I1030-S1032 VanDerWaalsContact C-N 3.3Å; I1030-S1032 PolarHBondContact O-N 2.93Å; I1030-S1033 WeakPolarHBondContact CA-OG 3.4Å; I1030-S1033 PolarHBondContact O-N 3.19Å; I1030-S1033 PolarHBondContact O-OG 3.44Å; I1030-S1033 VanDerWaalsContact O-OG 3.08Å; I1030-H1034 PolarHBondContact O-N 3.39Å
1031V74.1Confident69.2Low51 Ų51105.9 Ų105.931%0.30952%0.52SS..Hα-helixtrans-61.8-39.4177.2172.60000111.1Y1027 R1028 H1034 P1035Y1027-V1031 HydrophobicContact CD1-CG2 3.86Å; Y1027-V1031 HydrophobicContact CE1-CG2 3.65Å; Y1027-V1031 VanDerWaalsContact O-CG2 3.31Å; Y1027-V1031 WeakPolarHBondContact O-CG2 2.91Å; Y1027-V1031 PolarHBondContact O-N 3.27Å; R1028-V1031 PolarHBondContact O-N 2.86Å; V1031-H1034 CarbonylContact O-C 3.58Å; V1031-P1035 VanDerWaalsContact O-CA 3.3Å; V1031-P1035 WeakPolarHBondContact O-CA 3.4Å; V1031-P1035 VanDerWaalsContact O-N 3.1Å
1032S69Low67Low89 Ų89103.7 Ų103.762%0.62252%0.521SS*.Hα-helixtrans-72.3-33.2177.768.90000113.7R1028 K1029 I1030R1028-S1032 WeakPolarHBondContact O-CB 3.29Å; R1028-S1032 PolarHBondContact O-N 3.15Å; R1028-S1032 PolarHBondContact O-OG 2.69Å; K1029-S1032 WeakPolarHBondContact CA-OG 3.48Å; K1029-S1032 PolarHBondContact O-N 3.23Å; K1029-S1032 PolarHBondContact O-OG 2.89Å; I1030-S1032 VanDerWaalsContact C-N 3.3Å; I1030-S1032 PolarHBondContact O-N 2.93Å
1033S65.4Low64.8Low72 Ų7298.5 Ų98.550%0.50351%0.511SS..Hα-helixtrans-81.4-25.3177.755.40000112.9K1029 I1030K1029-S1033 WeakPolarHBondContact O-CB 3.48Å; K1029-S1033 PolarHBondContact O-N 3.35Å; K1029-S1033 PolarHBondContact O-OG 3.32Å; I1030-S1033 WeakPolarHBondContact CA-OG 3.4Å; I1030-S1033 PolarHBondContact O-N 3.19Å; I1030-S1033 PolarHBondContact O-OG 3.44Å; I1030-S1033 VanDerWaalsContact O-OG 3.08Å
1034H53.1Low62.6Low125 Ų12594.1 Ų94.158%0.57950%0.5SS*.  trans-140.973.8177-70.9-61.9000111.7I1030 V1031 L1036 H1037I1030-H1034 PolarHBondContact O-N 3.39Å; V1031-H1034 CarbonylContact O-C 3.58Å; H1034-L1036 PolarHBondContact O-N 3.49Å; H1034-L1036 VanDerWaalsContact O-N 3.13Å; H1034-H1037 HydrophobicContact CB-CB 4.26Å; H1034-H1037 PolarHBondContact O-N 3.02Å; H1034-H1037 VanDerWaalsContact O-N 3.16Å
1035P53.7Low60.2Low89 Ų8997.1 Ų97.158%0.57852%0.515SS*.THydrogen-bonded Turntrans-63.4-1817823.9-32.8000113.2V1031 S1038V1031-P1035 VanDerWaalsContact O-CA 3.3Å; V1031-P1035 WeakPolarHBondContact O-CA 3.4Å; V1031-P1035 VanDerWaalsContact O-N 3.1Å; P1035-S1038 PolarHBondContact O-OG 3.25Å; P1035-S1038 VanDerWaalsContact O-OG 3.13Å
1036L51.9Low58Low170 Ų17096.8 Ų96.889%0.8952%0.52SS*.THydrogen-bonded Turntrans-87-13.1179.4-77.3155.5000113.8H1034H1034-L1036 PolarHBondContact O-N 3.49Å; H1034-L1036 VanDerWaalsContact O-N 3.13Å
1037H43.8Very low55.7Low115 Ų11598.2 Ų98.253%0.53253%0.528SS..THydrogen-bonded Turntrans-103.3-4-179.3-134.2-56.1000114.1H1034 I1039 N1040H1034-H1037 HydrophobicContact CB-CB 4.26Å; H1034-H1037 PolarHBondContact O-N 3.02Å; H1034-H1037 VanDerWaalsContact O-N 3.16Å; H1037-I1039 VanDerWaalsContact C-N 3.25Å; H1037-I1039 PolarHBondContact O-N 2.99Å; H1037-N1040 PolarHBondContact O-N 3.27Å
1038S45Very low53.3Low34 Ų34100.3 Ų100.324%0.23855%0.546CS..Hα-helixtrans-68.7-18.5-178.452.20000114.2P1035 V1042P1035-S1038 PolarHBondContact O-OG 3.25Å; P1035-S1038 VanDerWaalsContact O-OG 3.13Å; S1038-V1042 WeakPolarHBondContact O-CG2 3.48Å
1039I51.6Low51Low141 Ų141100.1 Ų100.172%0.72356%0.556SS**Hα-helixtrans-75.4-35.1175.9-64.7174000111.1H1037H1037-I1039 VanDerWaalsContact C-N 3.25Å; H1037-I1039 PolarHBondContact O-N 2.99Å
1040N47.7Very low48.7Very low107 Ų10799.7 Ų99.757%0.57256%0.561SS**Hα-helixtrans-82.6-12.9-178.8-76-10.4000114.5H1037 S1043H1037-N1040 PolarHBondContact O-N 3.27Å; N1040-S1043 PolarHBondContact O-OG 2.85Å
1041L44.2Very low46.5Very low70 Ų70101.8 Ų101.837%0.36658%0.578SS.*Hα-helixtrans-90.4-24.7176.8-113.8148.4000112.7S1043 S1044 L1045L1041-S1043 VanDerWaalsContact C-N 3.27Å; L1041-S1043 PolarHBondContact O-N 2.97Å; L1041-S1044 PolarHBondContact O-N 3.33Å; L1041-S1044 PolarHBondContact O-OG 3.06Å; L1041-L1045 PolarHBondContact O-N 3.41Å
1042V45Very low44.3Very low86 Ų86105.8 Ų105.852%0.52160%0.596SS.*Hα-helixtrans-67.8-32.2172.81750000110.5S1038 S1044 L1045 S1046S1038-V1042 WeakPolarHBondContact O-CG2 3.48Å; V1042-S1044 VanDerWaalsContact C-N 3.34Å; V1042-S1044 PolarHBondContact O-N 3.33Å; V1042-L1045 PolarHBondContact O-N 3.48Å; V1042-S1046 PolarHBondContact O-N 2.91Å; V1042-S1046 PolarHBondContact O-OG 3.12Å
1043S45.9Very low42.3Very low66 Ų66109.7 Ų109.746%0.46261%0.61SS.*Hα-helixtrans-70.4-25.1172.549.70000114.1N1040 L1041 S1046N1040-S1043 PolarHBondContact O-OG 2.85Å; L1041-S1043 VanDerWaalsContact C-N 3.27Å; L1041-S1043 PolarHBondContact O-N 2.97Å; S1043-S1046 PolarHBondContact O-OG 3.18Å
1044S43.3Very low40.5Very low57 Ų57116.6 Ų116.640%0.39963%0.625SS.*Hα-helixtrans-83.3-28.6172.163.90000112.5L1041 V1042 S1046 N1047L1041-S1044 PolarHBondContact O-N 3.33Å; L1041-S1044 PolarHBondContact O-OG 3.06Å; V1042-S1044 VanDerWaalsContact C-N 3.34Å; V1042-S1044 PolarHBondContact O-N 3.33Å; S1044-S1046 VanDerWaalsContact C-N 3.31Å; S1044-S1046 PolarHBondContact O-N 2.9Å; S1044-N1047 PolarHBondContact O-N 2.77Å
1045L38.8Very low39.9Very low102 Ų102116 Ų11653%0.53463%0.633SS.*Hα-helixtrans-73.9-19.9176.4-79.9158.2000113.7Y1027 L1041 V1042 N1047Y1027-L1045 HydrophobicContact CE2-CD1 3.91Å; L1041-L1045 PolarHBondContact O-N 3.41Å; V1042-L1045 PolarHBondContact O-N 3.48Å; L1045-N1047 VanDerWaalsContact C-N 3.32Å
1046S41.4Very low38.5Very low78 Ų78116.3 Ų116.355%0.54563%0.629SS.*THydrogen-bonded Turntrans-77.2-12.4173.541.70000114.4V1042 S1043 S1044V1042-S1046 PolarHBondContact O-N 2.91Å; V1042-S1046 PolarHBondContact O-OG 3.12Å; S1043-S1046 PolarHBondContact O-OG 3.18Å; S1044-S1046 VanDerWaalsContact C-N 3.31Å; S1044-S1046 PolarHBondContact O-N 2.9Å
1047N36.1Very low37.3Very low129 Ų129113.6 Ų113.669%0.6962%0.616SS**SBendtrans-106.8-3.9-175.7-82.73.4000115.7S1044 L1045 N1049S1044-N1047 PolarHBondContact O-N 2.77Å; L1045-N1047 VanDerWaalsContact C-N 3.32Å; N1047-N1049 PolarHBondContact O-N 3.37Å
1048D32.3Very low36.4Very low141 Ų141115.5 Ų115.575%0.75463%0.625SS**THydrogen-bonded Turntrans-101.751176.4-73.2-14.2000111.8
1049N33.9Very low35.6Very low153 Ų153124.6 Ų124.682%0.81866%0.656SS**THydrogen-bonded Turntrans-98.9-3167.1-97.6-11.1000113.4N1047N1047-N1049 PolarHBondContact O-N 3.37Å
1050D30.7Very low34.3Very low139 Ų139124.1 Ų124.174%0.74366%0.659SS**SBendtrans-110.6124.8175.6-74.8-35.2000110.3
1051T28.9Very low33.1Very low124 Ų124127 Ų12776%0.76167%0.674SS**SBendtrans104.197.2160.471.20000119.2
1052I28.2Very low32.1Very low134 Ų134131.6 Ų131.669%0.68770%0.699SS**  91.794.3127.9-58.7163.8000116.6R1054I1052-R1054 HydrophobicContact CG2-CB 4.04Å; I1052-R1054 HydrophobicContact CG2-CG 3.78Å; I1052-R1054 PolarHBondContact O-N 3.15Å
1053D28.2Very low31Very low172 Ų172132.3 Ų132.392%0.9271%0.708SS**  trans-42.697.9134.6-85.9-40.6000110.7
1054R25.8Very low29.9Very low216 Ų216134.2 Ų134.282%0.81572%0.721SS**  trans-133.5123.8148.6-89.3-168.7-179.8179.12.2109.6I1052I1052-R1054 HydrophobicContact CG2-CB 4.04Å; I1052-R1054 HydrophobicContact CG2-CG 3.78Å; I1052-R1054 PolarHBondContact O-N 3.15Å
1055P41.7Very low28.8Very low113 Ų113137 Ų13773%0.73474%0.739SS**  trans-81.6139.6178.234.5-29.7000108.1
1056D24.8Very low28Very low96 Ų96140.4 Ų140.451%0.51375%0.752SS.*  trans-168.4120.7149.7-98.2-21.3000113.1
1057N25.9Very low27.1Very low113 Ų113141.2 Ų141.260%0.60476%0.758SS**  trans62.1127.1130.2-61.9-24.9000121.4
1058E25.5Very low26.4Very low154 Ų154143.4 Ų143.472%0.7277%0.769SS**  trans70.5120.6148.3-66.5171.117000115.9
1059Y27.8Very low26.3Very low226 Ų226141.5 Ų141.589%0.88676%0.764SS**  -166.3134.9118.4-94.7-68.7000111
1060T24.9Very low25.6Very low131 Ų131142.6 Ų142.680%0.80476%0.764SS**  trans-66.3147.5-171.426.70000113.8
1061L21.7Very low25.2Very low168 Ų168142.5 Ų142.588%0.8876%0.762SS**  trans-60.8129.2165.6-73.6120.6000109.6
1062N24.2Very low24.7Very low165 Ų165141 Ų14188%0.88276%0.757SS**  trans-142.7133.4142.4-97.4-18.4000110.9
1063S22.1Very low24.4Very low102 Ų102139.2 Ų139.271%0.71376%0.756SS**  trans-79.3168.9-177.144.80000113.1
1064S22.4Very low24.2Very low106 Ų106138.2 Ų138.274%0.74175%0.751SS**  trans92.7106.5158.269.90000119.2
1065C20Very low24Very low114 Ų114135.2 Ų135.277%0.7775%0.75SS**  50134.4122.4-57.50000123
1066H22.6Very low23.3Very low174 Ų174135 Ų13581%0.80675%0.749SS**  trans86.9108.8149.6-74-63.6000121.3
1067S21.5Very low23.2Very low96 Ų96135.9 Ų135.967%0.67176%0.758SS**  trans56.6118.6133.256.40000123.1
1068L20.8Very low23.2Very low175 Ų175137.4 Ų137.492%0.91676%0.764SS**  trans74.2152.4140.1-71.3161.4000119.5
1069P30.4Very low23.2Very low101 Ų101137.1 Ų137.166%0.65677%0.766SS**  trans-109.7158.7-147.340-30000113.9
1070E20.1Very low22.8Very low175 Ų175133.9 Ų133.982%0.81876%0.757SS**  trans174.4141.5136.3-101.3174.8-169.700113.6
1071I21.4Very low22.8Very low137 Ų137133.8 Ų133.870%0.70376%0.756SS**  trans76105.2142-59.5164.7000121
1072S19.5Very low22.8Very low94 Ų94134.9 Ų134.966%0.65776%0.757SS**  trans32.7134.4137.870.40000124.7
1073S21.2Very low23Very low96 Ų96132.9 Ų132.967%0.67176%0.756SS**  trans81129.6131.2670000122.1
1074N24Very low23.1Very low151 Ų151135.7 Ų135.781%0.80776%0.758SS**  trans103.9109.3150.6-61.3-20.8000119.9
1075L21.5Very low23.2Very low153 Ų153140 Ų14080%0.80177%0.766SS**  trans-2.7164.5138.6-10677.1000119.1
1076P28.3Very low23.6Very low109 Ų109139.4 Ų139.471%0.70877%0.769SS**  cis-143.8160.915.332-7.6000119.7
1077T21.6Very low23.8Very low113 Ų113141 Ų14169%0.69377%0.774SS**  trans21.7135.9131.1-22.50000123.2
1078I25.8Very low24Very low145 Ų145145.9 Ų145.974%0.74478%0.783SS**  172.3116.1116.7-86164.2000114.5
1079I25.3Very low24.2Very low149 Ų149143.7 Ų143.776%0.76478%0.777SS**  trans77.1109.3142-57.7174.3000122.9
1080K20.3Very low24.1Very low157 Ų157145.7 Ų145.768%0.68379%0.787SS**  trans-83.8151.7148.6-65.8175.1171-176.90110.4
1081T23.4Very low24.3Very low130 Ų130147 Ų14780%0.79879%0.793SS**  trans179.2149.2135.531.20000112.2
1082Q23.1Very low24.5Very low190 Ų190145.4 Ų145.489%0.88880%0.795SS**  trans93.779.7169-54.2-170.56.100118.2
1083S27.3Very low24.7Very low123 Ų123148.5 Ų148.586%0.8680%0.803SS**  trans-172.154.2134680000112
1084E23.9Very low25Very low162 Ų162152.8 Ų152.876%0.75782%0.817SS**  trans-112.189.3163.7-88.1-147.7131.400108.4
1085E26.3Very low25Very low196 Ų196151.2 Ų151.292%0.91682%0.818SS**SBendtrans-155.3-4.5159.5-120.6169.4-162.800116.1
1086A26.5Very low25.2Very low102 Ų102149.7 Ų149.784%0.84382%0.82SS**SBendtrans-99.95.1-174.300000116.7
1087K26.8Very low25.2Very low206 Ų206150.1 Ų150.190%0.89682%0.823SS**SBendtrans-113.912.2-170.6-77.1-175.2-179.9171.70117.1
1088K25.7Very low25.5Very low199 Ų199151.1 Ų151.187%0.86583%0.832SS**SBendtrans-99.48.5-174.9-91.9-175.21801740118.3
1089T25.9Very low25.4Very low130 Ų130149.8 Ų149.880%0.79884%0.835SS**SBendtrans-116.37-172.1-34.40000116.8
1090V27.9Very low25.4Very low143 Ų143148.3 Ų148.387%0.86784%0.835SS**SBendtrans-119.31.7-173.8-172.70000115.1
1091Q25.6Very low25.7Very low201 Ų201146.8 Ų146.894%0.93984%0.841SS**SBendtrans-10416.9-171.3-115.7176.1-2.400117.2
1092S24.7Very low25.9Very low105 Ų105146.4 Ų146.473%0.73484%0.841SS**SBendtrans-115.314.6-17569.10000117
1093L24.5Very low26Very low159 Ų159143.1 Ų143.183%0.83284%0.836SS**SBendtrans-134.484.2178-78.7158.4000110.4
1094L26.9Very low25.8Very low186 Ų186143.5 Ų143.597%0.97483%0.834SS**  trans170.279.2150.2-91.2145.6000109.4
1095S23.2Very low25.8Very low117 Ų117144 Ų14482%0.81884%0.841SS**  trans-137.1112.7168.657.60000109.8
1096S26.4Very low25.8Very low121 Ų121139.5 Ų139.585%0.84683%0.828SS**  trans-154.3151.3154.759.20000110.5
1097P28.2Very low25.5Very low119 Ų119139.7 Ų139.777%0.77382%0.823SS**PPolyproline II helixtrans-103.9165.3-148.237.3-30.2000115.1
1098P27.4Very low25.3Very low134 Ų134135.9 Ų135.987%0.8782%0.822SS**PPolyproline II helixtrans-91.1139.6-172.534.2-31.4000114.1
1099S23.5Very low25.1Very low116 Ų116130 Ų13081%0.81182%0.819SS**PPolyproline II helixtrans-101.2156.6175.552.20000112.9
1100P26.3Very low25Very low118 Ų118132.8 Ų132.877%0.76682%0.822SS**PPolyproline II helixtrans-96.4164.7-159.137.1-33.3000114.9
1101P26.9Very low24.8Very low125 Ų125131 Ų13181%0.81282%0.816SS**PPolyproline II helixtrans-94.1146.7-169.535.8-31.7000113.8
1102P26.9Very low24.8Very low122 Ų122131.5 Ų131.579%0.79282%0.816SS**PPolyproline II helixtrans-98.9167.6175.737.4-31.3000113.8
1103P25.3Very low24.9Very low122 Ų122134.3 Ų134.379%0.79282%0.823SS**  trans-104.4166.7-15338.6-32.2000116.3
1104T22.5Very low24.9Very low131 Ų131134 Ų13480%0.80482%0.822SS**  trans-78.8138.9-177.445.40000115.3
1105L24.6Very low24.8Very low173 Ų173132.1 Ų132.191%0.90681%0.813SS**  trans-152162.5156.9-98.9121000111.7
1106P26.1Very low24.7Very low101 Ų101137.7 Ų137.766%0.65682%0.816SS**  trans-118.5170.2-145.842.1-32.9000117.2
1107S20.9Very low24.7Very low105 Ų105138.2 Ų138.273%0.73482%0.816SS**  trans79.5131.9142.766.50000122.6
1108S21.4Very low24.6Very low126 Ų126138.2 Ų138.288%0.88181%0.814SS**  trans97.1127.1151.675.40000119.4
1109G22.6Very low24.8Very low76 Ų76142.4 Ų142.478%0.78482%0.815SS**  trans114.389.6152.200000118.6
1110E23.5Very low24.8Very low188 Ų188146.2 Ų146.288%0.87982%0.82SS**  trans39.7107.9140.6-64-178.1167.300122.4
1111S23.3Very low24.7Very low106 Ų106148.1 Ų148.174%0.74182%0.818SS**  trans18.3101.913757.90000121
1112F24.9Very low24.7Very low212 Ų212150.3 Ų150.393%0.9382%0.817SS**  trans-142.8140.8131.7-109.1-85.3000110.2
1113N26.9Very low24.9Very low164 Ų164153 Ų15388%0.87782%0.822SS**PPolyproline II helixtrans-66.3146.7-156.3-92.4-37.8000117
1114N25.9Very low25Very low153 Ų153154.3 Ų154.382%0.81882%0.822SS**PPolyproline II helixtrans-67.2142.7-171.2-75-42.7000116.5
1115N24.6Very low25.2Very low146 Ų146152.4 Ų152.478%0.78181%0.814SS**PPolyproline II helixtrans-66.8129.3150.4-80.8-32.4000111.4
1116W21.6Very low25.5Very low234 Ų234156.4 Ų156.489%0.88682%0.817SS**  trans32.397.7142.5-66.962.4000118.8
1117P26.6Very low25.5Very low131 Ų131162.7 Ų162.785%0.85183%0.828SS**  trans-94.8101.4165.832.5-24.6000111.4
1118T25.5Very low25.7Very low119 Ų119163.1 Ų163.173%0.7383%0.83SS**  trans-79113.4150.928.20000107.8
1119Y30.7Very low25.9Very low223 Ų223164.7 Ų164.788%0.87583%0.828SS**  trans-178.9102.2142.1-93.5-65.4000109.5
1120Q23.9Very low26.1Very low196 Ų196165.9 Ų165.992%0.91682%0.821SS**  trans-73.1123.9175.6-71175.4-26.500110.8
1121H23.5Very low26.2Very low158 Ų158164.6 Ų164.673%0.73182%0.819SS**  trans-142.648.6175.8-121.5-64000114.6
1122H27.9Very low26.5Very low170 Ų170166.4 Ų166.479%0.78782%0.819SS**  trans-138.587.5171.9-48.6-63.5000113.5
1123I30.6Very low26.6Very low178 Ų178163.2 Ų163.291%0.91381%0.811SS**  trans-125.573.6144.7-56.3178.8000106
1124L28Very low26.5Very low151 Ų151166 Ų16679%0.79181%0.811SS**  trans-82.7132.1165.8-85164.4000108.6
1125S26.2Very low26.7Very low91 Ų91166.8 Ų166.864%0.63681%0.809SS**  trans-60.3154-177.175.90000112.9R1127S1125-R1127 PolarHBondContact O-N 3.17Å
1126R30.9Very low26.9Very low256 Ų256167.3 Ų167.397%0.96681%0.807SS**THydrogen-bonded Turntrans-55.519.4178.9-88.2-175.6173.6-178-2.2117.3
1127R26.3Very low27.3Very low233 Ų233163.6 Ų163.688%0.87980%0.804SS**THydrogen-bonded Turntrans-103.13.5178.5-81.9-170.3176.1177.1-0.4115.9S1125S1125-R1127 PolarHBondContact O-N 3.17Å
1128C24.6Very low27.4Very low115 Ų115164.6 Ų164.678%0.77780%0.803SS**  trans-114.380.8170.1-64.80000110.4P1130C1128-P1130 WeakPolarHBondContact O-CD 3.49Å
1129L25Very low27.8Very low159 Ų159166 Ų16683%0.83281%0.806SS**  trans-88.2112155.7-85.2162.9000106.6I1131L1129-I1131 PolarHBondContact O-N 2.85Å
1130P27.1Very low28Very low100 Ų100163 Ų16365%0.64980%0.804SS**  trans-68.6128170.3-9.125000108.5C1128 I1132C1128-P1130 WeakPolarHBondContact O-CD 3.49Å; P1130-I1132 HydrophobicContact CB-CG1 4.49Å; P1130-I1132 PolarHBondContact O-N 2.9Å
1131I26.8Very low28.5Very low162 Ų162158.3 Ų158.383%0.83179%0.793SS**  trans-65.8100165.9-61.5165.6000105.8L1129 N1133L1129-I1131 PolarHBondContact O-N 2.85Å; I1131-N1133 PolarHBondContact O-N 3.32Å
1132I29.5Very low29Very low144 Ų144157.5 Ų157.574%0.73879%0.794SS**  trans-82.8109179.7-64.1173.3000107.8P1130P1130-I1132 HydrophobicContact CB-CG1 4.49Å; P1130-I1132 PolarHBondContact O-N 2.9Å
1133N26.7Very low29.2Very low145 Ų145157.9 Ų157.978%0.77579%0.794SS**  trans-61.8129.5172.4-85.6-20.9000110.8I1131 H1135I1131-N1133 PolarHBondContact O-N 3.32Å; N1133-H1135 PolarHBondContact O-N 2.79Å
1134Y25.5Very low29.4Very low221 Ų221156.4 Ų156.487%0.86778%0.783SS**  trans-60.1125.2169.8-82.3-97.2000110.8
1135H29.7Very low29.6Very low170 Ų170153.2 Ų153.279%0.78777%0.773SS**  trans-159.7122.2140.4-95-65000110.5N1133N1133-H1135 PolarHBondContact O-N 2.79Å
1136H29.1Very low29.9Very low157 Ų157152.8 Ų152.873%0.72777%0.766SS**SBendtrans53.397.4156.4-65.3-70000119.6
1137N29.8Very low29.9Very low156 Ų156143.9 Ų143.983%0.83474%0.74SS**  179.4138.686.7-100.3-21000110.5
1138N29.1Very low30Very low152 Ų152139.4 Ų139.481%0.81373%0.733SS**  trans-61.3150-173.4-75.7-33.8000113.3
1139N33.6Very low30.2Very low150 Ų150140.6 Ų140.680%0.80273%0.732SS**SBendtrans80.172.6162.2-56.7-20.2000117.7
1140L34.4Very low30.5Very low158 Ų158142 Ų14283%0.82773%0.728SS**SBendtrans-161.2-2.9141-133.173.8000116.7
1141S34.6Very low30.6Very low99 Ų99142 Ų14269%0.69272%0.721SS**G310 helixtrans-85.4-9.3-171.458.30000116.4
1142N33.7Very low30.6Very low141 Ų141140.4 Ų140.475%0.75471%0.713SS**G310 helixtrans-86.9-2.6-179.5-83.8-7.4000115.4
1143K32.8Very low30.6Very low178 Ų178138.3 Ų138.377%0.77471%0.709SS**G310 helixtrans-94.4-11.6176.1-83.2-173.2175.3-178.40114.9V1147K1143-V1147 WeakPolarHBondContact O-CG2 2.9Å
1144Q33.1Very low31.1Very low146 Ų146140.7 Ų140.768%0.68271%0.708SS**Hα-helixtrans-89.1-25-175.6-74.1-178.1-13.600114.7
1145S32.4Very low31.6Very low84 Ų84133.4 Ų133.459%0.58769%0.689SS**Hα-helixtrans-82.3-25.6177.275.20000113.5
1146V32.4Very low31.7Very low82 Ų82130 Ų13050%0.49767%0.674SS.*Hα-helixtrans-76.1-29.6-178.9-178.90000111.9N1149V1146-N1149 PolarHBondContact O-N 3.25Å
1147V30.7Very low31.9Very low69 Ų69128.7 Ų128.742%0.41867%0.666SS.*Hα-helixtrans-77.5-28.5-177.9177.50000112.5K1143 N1149 Y1150 L1151K1143-V1147 WeakPolarHBondContact O-CG2 2.9Å; V1147-N1149 PolarHBondContact O-N 3.02Å; V1147-Y1150 PolarHBondContact O-N 3.5Å; V1147-Y1150 VanDerWaalsContact O-N 3.1Å; V1147-L1151 HydrophobicContact CG1-CD1 3.91Å
1148L29.9Very low32.1Very low139 Ų139127.1 Ų127.173%0.72866%0.658SS**THydrogen-bonded Turntrans-62.9-24.5175.7-137.290.6000112.5
1149N29.3Very low32.4Very low140 Ų140126.7 Ų126.775%0.74965%0.65SS**THydrogen-bonded Turntrans-79.5-18177.7-76.7-33000113.9V1146 V1147V1146-N1149 PolarHBondContact O-N 3.25Å; V1147-N1149 PolarHBondContact O-N 3.02Å
1150Y30.8Very low32.4Very low190 Ų190123.5 Ų123.575%0.74563%0.633SS**THydrogen-bonded Turntrans-95.1-9.4-179.1-82.7-78.9000114.3V1147V1147-Y1150 PolarHBondContact O-N 3.5Å; V1147-Y1150 VanDerWaalsContact O-N 3.1Å
1151L29.2Very low32.5Very low98 Ų98119.7 Ų119.751%0.51361%0.612SS.*SBendtrans-109.622.3-170.9-74.7165.9000115A878 V1147 P1153A878-L1151 HydrophobicContact CB-CD1 4.17Å; V1147-L1151 HydrophobicContact CG1-CD1 3.91Å; L1151-P1153 WeakPolarHBondContact O-CD 3.27Å
1152I26.4Very low32.6Very low130 Ų130121.6 Ų121.667%0.66761%0.608SS**  trans-109.278.9159.1-53.4177.6000109Y1154I1152-Y1154 PolarHBondContact O-N 3.34Å
1153P30.3Very low32.8Very low99 Ų99121 Ų12164%0.64360%0.599SS**  trans-75.698168.9-10.228.3000110.5L1151 S1155L1151-P1153 WeakPolarHBondContact O-CD 3.27Å; P1153-S1155 PolarHBondContact O-N 3.21Å; P1153-S1155 VanDerWaalsContact O-N 3.11Å
1154Y36.7Very low32.9Very low196 Ų196118.5 Ų118.577%0.76959%0.589SS**SBend67.93122-92.7-81.2000124.5I1152I1152-Y1154 PolarHBondContact O-N 3.34Å
1155S36.2Very low33.3Very low67 Ų67117.2 Ų117.247%0.46958%0.583SS.*SBendtrans-95.8-24.9169.262.50000114.9P1153P1153-S1155 PolarHBondContact O-N 3.21Å; P1153-S1155 VanDerWaalsContact O-N 3.11Å
1156H32.1Very low33.8Very low100 Ų100117.6 Ų117.646%0.46358%0.582SS.*SBendtrans-119.7-6.4-171.5-75.7-62.8000116.1N1158 H1159 I1160H1156-N1158 PolarHBondContact O-N 3.01Å; H1156-H1159 PolarHBondContact O-N 3.19Å; H1156-I1160 HydrophobicContact CB-CD1 3.69Å; H1156-I1160 HydrophobicContact CB-CG1 4.08Å; H1156-I1160 VanDerWaalsContact O-CB 3.24Å; H1156-I1160 WeakPolarHBondContact O-CB 3.4Å; H1156-I1160 WeakPolarHBondContact O-CG1 3.36Å; H1156-I1160 PolarHBondContact O-N 2.8Å
1157K31.6Very low34Very low129 Ų129116.6 Ų116.656%0.56157%0.573SS**Hα-helixtrans-62.2-41.4-178-149.7-173.3-176.1-178.90112.1H1159 L1161K1157-H1159 PolarHBondContact O-N 3.41Å; K1157-L1161 HydrophobicContact CD-CD1 4.08Å; K1157-L1161 HydrophobicContact CG-CD1 3.66Å; K1157-L1161 HydrophobicContact CG-CG 4.07Å; K1157-L1161 WeakPolarHBondContact O-CA 3.47Å; K1157-L1161 WeakPolarHBondContact O-CB 3.42Å; K1157-L1161 VanDerWaalsContact O-CG 3.26Å; K1157-L1161 WeakPolarHBondContact O-CG 3.35Å; K1157-L1161 PolarHBondContact O-N 3.06Å
1158N35.4Very low34.3Very low123 Ų123120.2 Ų120.266%0.65859%0.585SS**Hα-helixtrans-71.8-32-179.3-75.5-7.7000113.8H1156 K1162H1156-N1158 PolarHBondContact O-N 3.01Å; N1158-K1162 WeakPolarHBondContact O-CB 3.38Å; N1158-K1162 WeakPolarHBondContact O-CG 3.4Å; N1158-K1162 PolarHBondContact O-N 3.23Å; N1158-K1162 VanDerWaalsContact O-N 3.09Å
1159H35.3Very low35Very low142 Ų142118.1 Ų118.166%0.65758%0.58SS**Hα-helixtrans-84.8-36.8177.4-89.4-76.7000113H1156 K1157 F1163H1156-H1159 PolarHBondContact O-N 3.19Å; K1157-H1159 PolarHBondContact O-N 3.41Å; H1159-F1163 WeakPolarHBondContact O-CB 3.47Å; H1159-F1163 PolarHBondContact O-N 2.79Å
1160I34.2Very low35.7Very low84 Ų84114.3 Ų114.343%0.43156%0.562SS.*Hα-helixtrans-73.5-40.6176.4-67.6179.7000110.1H1156 F1163 F1164H1156-I1160 HydrophobicContact CB-CD1 3.69Å; H1156-I1160 HydrophobicContact CB-CG1 4.08Å; H1156-I1160 VanDerWaalsContact O-CB 3.24Å; H1156-I1160 WeakPolarHBondContact O-CB 3.4Å; H1156-I1160 WeakPolarHBondContact O-CG1 3.36Å; H1156-I1160 PolarHBondContact O-N 2.8Å; I1160-F1163 PolarHBondContact O-N 3.02Å; I1160-F1164 HydrophobicContact CG2-CD2 3.5Å; I1160-F1164 VanDerWaalsContact CG2-CD2 3.5Å; I1160-F1164 HydrophobicContact CG2-CE2 3.61Å; I1160-F1164 WeakPolarHBondContact O-CB 3.33Å; I1160-F1164 VanDerWaalsContact O-CD2 3.23Å; I1160-F1164 WeakPolarHBondContact O-CD2 3.47Å; I1160-F1164 PolarHBondContact O-N 2.92Å
1161L35.4Very low36Very low77 Ų77112 Ų11240%0.40356%0.555SS.*Hα-helixtrans-65.7-44.1171.4-72.5175.1000111.3K1157 F1163 F1164 E1165K1157-L1161 HydrophobicContact CD-CD1 4.08Å; K1157-L1161 HydrophobicContact CG-CD1 3.66Å; K1157-L1161 HydrophobicContact CG-CG 4.07Å; K1157-L1161 WeakPolarHBondContact O-CA 3.47Å; K1157-L1161 WeakPolarHBondContact O-CB 3.42Å; K1157-L1161 VanDerWaalsContact O-CG 3.26Å; K1157-L1161 WeakPolarHBondContact O-CG 3.35Å; K1157-L1161 PolarHBondContact O-N 3.06Å; L1161-F1163 VanDerWaalsContact C-N 3.29Å; L1161-F1163 PolarHBondContact O-N 3.34Å; L1161-F1164 CarbonylContact O-C 3.57Å; L1161-F1164 PolarHBondContact O-N 2.85Å; L1161-E1165 VanDerWaalsContact O-CB 3.26Å; L1161-E1165 WeakPolarHBondContact O-CB 3.32Å; L1161-E1165 VanDerWaalsContact O-CG 3.28Å; L1161-E1165 WeakPolarHBondContact O-CG 3.48Å; L1161-E1165 PolarHBondContact O-N 3.34Å
1162K37.2Very low36.8Very low139 Ų139109.2 Ų109.260%0.60455%0.55SS*.Hα-helixtrans-60.6-39.2172.7-85.5-175.2172.2-1770112.5N1158 E1165 T1166N1158-K1162 WeakPolarHBondContact O-CB 3.38Å; N1158-K1162 WeakPolarHBondContact O-CG 3.4Å; N1158-K1162 PolarHBondContact O-N 3.23Å; N1158-K1162 VanDerWaalsContact O-N 3.09Å; K1162-E1165 PolarHBondContact O-N 3.22Å; K1162-T1166 WeakPolarHBondContact O-CB 3.28Å; K1162-T1166 VanDerWaalsContact O-CG2 3.31Å; K1162-T1166 WeakPolarHBondContact O-CG2 2.98Å; K1162-T1166 PolarHBondContact O-N 3.11Å; K1162-T1166 PolarHBondContact O-OG1 2.99Å
1163F38.5Very low37.4Very low128 Ų128107.7 Ų107.756%0.56154%0.542SS*.Hα-helixtrans-65.2-41.1177-173.6-103000111.5H1159 I1160 L1161 T1166 I1167H1159-F1163 WeakPolarHBondContact O-CB 3.47Å; H1159-F1163 PolarHBondContact O-N 2.79Å; I1160-F1163 PolarHBondContact O-N 3.02Å; L1161-F1163 VanDerWaalsContact C-N 3.29Å; L1161-F1163 PolarHBondContact O-N 3.34Å; F1163-T1166 WeakPolarHBondContact CA-OG1 3.08Å; F1163-T1166 PolarHBondContact O-OG1 3.1Å; F1163-I1167 HydrophobicContact CD1-CD1 3.64Å; F1163-I1167 HydrophobicContact CD2-CD1 4.39Å; F1163-I1167 HydrophobicContact CE1-CD1 3.27Å; F1163-I1167 HydrophobicContact CE2-CD1 4.07Å; F1163-I1167 HydrophobicContact CG-CD1 4.2Å; F1163-I1167 HydrophobicContact CZ-CD1 3.52Å; F1163-I1167 WeakPolarHBondContact O-CB 3.16Å; F1163-I1167 WeakPolarHBondContact O-CD1 3.48Å; F1163-I1167 VanDerWaalsContact O-CG1 3.23Å; F1163-I1167 WeakPolarHBondContact O-CG1 3.32Å; F1163-I1167 PolarHBondContact O-N 3.42Å; F1163-I1167 VanDerWaalsContact O-N 3.11Å
1164F34.1Very low37.5Very low127 Ų127109.5 Ų109.556%0.55754%0.54SS*.Hα-helixtrans-73.7-36.4175.1-84.3-69.7000113I1160 L1161 T1166 I1167 E1168I1160-F1164 HydrophobicContact CG2-CD2 3.5Å; I1160-F1164 VanDerWaalsContact CG2-CD2 3.5Å; I1160-F1164 HydrophobicContact CG2-CE2 3.61Å; I1160-F1164 WeakPolarHBondContact O-CB 3.33Å; I1160-F1164 VanDerWaalsContact O-CD2 3.23Å; I1160-F1164 WeakPolarHBondContact O-CD2 3.47Å; I1160-F1164 PolarHBondContact O-N 2.92Å; L1161-F1164 CarbonylContact O-C 3.57Å; L1161-F1164 PolarHBondContact O-N 2.85Å; F1164-T1166 VanDerWaalsContact C-N 3.31Å; F1164-T1166 PolarHBondContact O-N 3.1Å; F1164-I1167 CarbonylContact O-C 3.57Å; F1164-I1167 PolarHBondContact O-N 3.02Å; F1164-I1167 VanDerWaalsContact O-N 3.13Å; F1164-E1168 WeakPolarHBondContact O-CB 3.47Å; F1164-E1168 PolarHBondContact O-N 3.28Å
1165E41.1Very low37.5Very low119 Ų119105.7 Ų105.756%0.55653%0.533SS*.Hα-helixtrans-64-35.9172-77.3173.5176.300110.9L1161 K1162 I1167 P1169L1161-E1165 VanDerWaalsContact O-CB 3.26Å; L1161-E1165 WeakPolarHBondContact O-CB 3.32Å; L1161-E1165 VanDerWaalsContact O-CG 3.28Å; L1161-E1165 WeakPolarHBondContact O-CG 3.48Å; L1161-E1165 PolarHBondContact O-N 3.34Å; K1162-E1165 PolarHBondContact O-N 3.22Å; E1165-I1167 VanDerWaalsContact C-N 3.33Å; E1165-P1169 WeakPolarHBondContact O-CD 3.47Å
1166T42.5Very low37.5Very low92 Ų92109.4 Ų109.456%0.56455%0.546SS*.Hα-helixtrans-73-24.3173.1510000113.5K1162 F1163 F1164K1162-T1166 WeakPolarHBondContact O-CB 3.28Å; K1162-T1166 VanDerWaalsContact O-CG2 3.31Å; K1162-T1166 WeakPolarHBondContact O-CG2 2.98Å; K1162-T1166 PolarHBondContact O-N 3.11Å; K1162-T1166 PolarHBondContact O-OG1 2.99Å; F1163-T1166 WeakPolarHBondContact CA-OG1 3.08Å; F1163-T1166 PolarHBondContact O-OG1 3.1Å; F1164-T1166 VanDerWaalsContact C-N 3.31Å; F1164-T1166 PolarHBondContact O-N 3.1Å
1167I36.6Very low37.5Very low60 Ų60111.3 Ų111.331%0.30856%0.559SS.*Hα-helixtrans-92.7-20.2179.1-69.7170.7000111.9F1163 F1164 E1165 V1170 K1171F1163-I1167 HydrophobicContact CD1-CD1 3.64Å; F1163-I1167 HydrophobicContact CD2-CD1 4.39Å; F1163-I1167 HydrophobicContact CE1-CD1 3.27Å; F1163-I1167 HydrophobicContact CE2-CD1 4.07Å; F1163-I1167 HydrophobicContact CG-CD1 4.2Å; F1163-I1167 HydrophobicContact CZ-CD1 3.52Å; F1163-I1167 WeakPolarHBondContact O-CB 3.16Å; F1163-I1167 WeakPolarHBondContact O-CD1 3.48Å; F1163-I1167 VanDerWaalsContact O-CG1 3.23Å; F1163-I1167 WeakPolarHBondContact O-CG1 3.32Å; F1163-I1167 PolarHBondContact O-N 3.42Å; F1163-I1167 VanDerWaalsContact O-N 3.11Å; F1164-I1167 CarbonylContact O-C 3.57Å; F1164-I1167 PolarHBondContact O-N 3.02Å; F1164-I1167 VanDerWaalsContact O-N 3.13Å; E1165-I1167 VanDerWaalsContact C-N 3.33Å; I1167-V1170 WeakPolarHBondContact O-CA 3.3Å; I1167-V1170 WeakPolarHBondContact O-CB 3.11Å; I1167-V1170 PolarHBondContact O-N 2.83Å; I1167-K1171 PolarHBondContact O-N 3.43Å; I1167-K1171 VanDerWaalsContact O-N 3.07Å
1168E38.2Very low37.7Very low145 Ų145114.2 Ų114.268%0.67858%0.58SS**Hα-helixtrans-55.1-41.8177.4-133.4173-166.500113.4F1164 V1170 K1171F1164-E1168 WeakPolarHBondContact O-CB 3.47Å; F1164-E1168 PolarHBondContact O-N 3.28Å; E1168-V1170 VanDerWaalsContact C-N 3.27Å; E1168-V1170 PolarHBondContact O-N 3.19Å; E1168-K1171 PolarHBondContact O-N 3.5Å
1169P45Very low37.8Very low95 Ų95113.8 Ų113.862%0.61758%0.576SS**Hα-helixtrans-71.7-17172.625.4-31.7000113.9E1165E1165-P1169 WeakPolarHBondContact O-CD 3.47Å
1170V42.6Very low38Very low61 Ų61112.3 Ų112.337%0.3757%0.571SS.*Hα-helixtrans-87-21.8179.4-171.90000112.1I1167 E1168 G1172 I1173 F1174I1167-V1170 WeakPolarHBondContact O-CA 3.3Å; I1167-V1170 WeakPolarHBondContact O-CB 3.11Å; I1167-V1170 PolarHBondContact O-N 2.83Å; E1168-V1170 VanDerWaalsContact C-N 3.27Å; E1168-V1170 PolarHBondContact O-N 3.19Å; V1170-G1172 PolarHBondContact O-N 3.42Å; V1170-I1173 PolarHBondContact O-N 3.27Å; V1170-F1174 HydrophobicContact CG1-CD2 4.29Å; V1170-F1174 HydrophobicContact CG1-CE2 4.39Å; V1170-F1174 PolarHBondContact O-N 3.04Å
1171K38.4Very low38.2Very low142 Ų142113.9 Ų113.962%0.61758%0.579SS**Hα-helixtrans-60.4-35.4175.5-120.1-178.7179.9-178.20112.3I1167 E1168 I1173 F1174 D1175I1167-K1171 PolarHBondContact O-N 3.43Å; I1167-K1171 VanDerWaalsContact O-N 3.07Å; E1168-K1171 PolarHBondContact O-N 3.5Å; K1171-I1173 PolarHBondContact O-N 3.25Å; K1171-F1174 PolarHBondContact O-N 3.11Å; K1171-D1175 PolarHBondContact O-N 3.19Å; K1171-D1175 VanDerWaalsContact O-N 3.11Å
1172G46.1Very low38.3Very low38 Ų38116.1 Ų116.139%0.39259%0.59SS.*Hα-helixtrans-59.6-31.1173.400000113.5V1170 I1176V1170-G1172 PolarHBondContact O-N 3.42Å; G1172-I1176 WeakPolarHBondContact O-CB 3.48Å; G1172-I1176 VanDerWaalsContact O-CD1 3.24Å; G1172-I1176 WeakPolarHBondContact O-CD1 3.39Å; G1172-I1176 WeakPolarHBondContact O-CG1 3.38Å; G1172-I1176 PolarHBondContact O-N 3.36Å
1173I37.5Very low38.4Very low98 Ų98114.6 Ų114.650%0.50359%0.589SS.*Hα-helixtrans-77.9-37.8179.1-61.7172.2000111.1V1170 K1171 I1176 L1177V1170-I1173 PolarHBondContact O-N 3.27Å; K1171-I1173 PolarHBondContact O-N 3.25Å; I1173-I1176 PolarHBondContact O-N 2.98Å; I1173-L1177 HydrophobicContact CG2-CD1 3.87Å; I1173-L1177 WeakPolarHBondContact O-CB 3.5Å; I1173-L1177 WeakPolarHBondContact O-CG 3.32Å; I1173-L1177 PolarHBondContact O-N 3.3Å
1174F33.1Very low38.4Very low138 Ų138113.7 Ų113.761%0.60559%0.591SS**Hα-helixtrans-69.2-34.1177.7-91.6-79.5000113V1170 K1171 I1176 L1178V1170-F1174 HydrophobicContact CG1-CD2 4.29Å; V1170-F1174 HydrophobicContact CG1-CE2 4.39Å; V1170-F1174 PolarHBondContact O-N 3.04Å; K1171-F1174 PolarHBondContact O-N 3.11Å; F1174-I1176 VanDerWaalsContact C-N 3.35Å; F1174-L1178 PolarHBondContact O-N 3.02Å
1175D36.4Very low38.7Very low116 Ų116112.8 Ų112.862%0.6259%0.593SS**Hα-helixtrans-78.2-17.8175.4-71.2-20.3000112.9K1171K1171-D1175 PolarHBondContact O-N 3.19Å; K1171-D1175 VanDerWaalsContact O-N 3.11Å
1176I36.8Very low38.5Very low145 Ų145112.3 Ų112.374%0.74460%0.596SS**Hα-helixtrans-85-27.6171.2-69.3167.4000111.7G1172 I1173 F1174G1172-I1176 WeakPolarHBondContact O-CB 3.48Å; G1172-I1176 VanDerWaalsContact O-CD1 3.24Å; G1172-I1176 WeakPolarHBondContact O-CD1 3.39Å; G1172-I1176 WeakPolarHBondContact O-CG1 3.38Å; G1172-I1176 PolarHBondContact O-N 3.36Å; I1173-I1176 PolarHBondContact O-N 2.98Å; F1174-I1176 VanDerWaalsContact C-N 3.35Å
1177L32.2Very low38.2Very low139 Ų139114 Ų11473%0.72860%0.598SS**Hα-helixtrans-85.1-22.5179.5-81.2168.7000114.2I1173I1173-L1177 HydrophobicContact CG2-CD1 3.87Å; I1173-L1177 WeakPolarHBondContact O-CB 3.5Å; I1173-L1177 WeakPolarHBondContact O-CG 3.32Å; I1173-L1177 PolarHBondContact O-N 3.3Å
1178L35.4Very low38.3Very low191 Ų191118.9 Ų118.9100%163%0.625SS**  trans-85.30171.1-87.3162.7000110.6F1174F1174-L1178 PolarHBondContact O-N 3.02Å

Retrieved 1,178 of 1,178 residues in 3534.3 ms (Link to these results)

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