A0A3Q0KKW6_SCHMA Loading...

Putative g-protein coupled receptor

AlphaFold DB , UniProt , Accession A0A3Q0KKW6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 725 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M32.5Very low35.7Very low65 Ų6574 Ų7432%0.3234%0.343SS..  0-1010-61.9-68.1-163.400111.3R3 L4 S5 V172 L264M1-R3 PolarHBondContact O-N 3.38Å; M1-L4 PolarHBondContact O-N 3.18Å; M1-S5 PolarHBondContact O-N 3.33Å; M1-V172 HydrophobicContact CG-CG1 4.02Å; M1-V172 HydrophobicContact SD-CG1 3.85Å; M1-L264 HydrophobicContact SD-CD2 4.14Å
2Q28.2Very low36Very low83 Ų8379.5 Ų79.539%0.38837%0.365SS..THydrogen-bonded Turntrans-58.2-13.5-175.4-77.6-177.9-16.600117.5R6Q2-R6 PolarHBondContact O-NE 3.24Å
3R29.8Very low36.5Very low204 Ų20478.6 Ų78.677%0.7737%0.373SS*.THydrogen-bonded Turntrans-87.9-25.5171.9-77.8-174.5175.4177.3-2.2113.2M1M1-R3 PolarHBondContact O-N 3.38Å
4L34.5Very low37.4Very low20 Ų2075.1 Ų75.111%0.10536%0.358CS..THydrogen-bonded Turntrans-90.3-29.2178.6-80.8161.4000112.5M1 R6 N7 I8 V172 I177M1-L4 PolarHBondContact O-N 3.18Å; L4-R6 PolarHBondContact O-N 3.39Å; L4-N7 PolarHBondContact O-N 3.26Å; L4-I8 HydrophobicContact CD2-CD1 4.37Å; L4-V172 HydrophobicContact CD1-CB 4.33Å; L4-V172 HydrophobicContact CD1-CG1 3.98Å; L4-V172 WeakPolarHBondContact CD1-O 3.32Å; L4-I177 HydrophobicContact CD2-CB 4.17Å; L4-I177 HydrophobicContact CD2-CD1 4.01Å; L4-I177 HydrophobicContact CD2-CG1 3.93Å
5S35.7Very low37.8Very low34 Ų3479.1 Ų79.124%0.23838%0.378CS..THydrogen-bonded Turntrans-67.7-10.2173.769.70000114.3M1 F265M1-S5 PolarHBondContact O-N 3.33Å; S5-F265 VanDerWaalsContact CB-CZ 3.42Å
6R35.2Very low38.5Very low93 Ų9384.1 Ų84.135%0.35140%0.404SS..THydrogen-bonded Turntrans-101.1-10.9178.6-75.2-171.7-67.1150.27114.4Q2 L4Q2-R6 PolarHBondContact O-NE 3.24Å; L4-R6 PolarHBondContact O-N 3.39Å
7N37.8Very low39.9Very low73 Ų7383.5 Ų83.539%0.3940%0.403SS..SBendtrans-113.5-0.4-170.6-6910.5000113.8L4 N178L4-N7 PolarHBondContact O-N 3.26Å; N7-N178 PolarHBondContact ND2-ND2 2.91Å
8I40.6Very low41.2Very low18 Ų1881.9 Ų81.99%0.09240%0.4CS..SBendtrans-127-36.6-171-65.4-175.5000112.5L4 F10 I177 F262L4-I8 HydrophobicContact CD2-CD1 4.37Å; I8-F10 PolarHBondContact O-N 2.97Å; I8-I177 HydrophobicContact CD1-CB 3.94Å; I8-I177 HydrophobicContact CD1-CD1 4.01Å; I8-I177 HydrophobicContact CD1-CG2 3.78Å; I8-F262 HydrophobicContact CB-CE2 3.76Å; I8-F262 HydrophobicContact CD1-CE2 3.48Å; I8-F262 VanDerWaalsContact CD1-CE2 3.48Å; I8-F262 HydrophobicContact CD1-CZ 3.47Å; I8-F262 VanDerWaalsContact CD1-CZ 3.47Å; I8-F262 HydrophobicContact CG1-CE2 4.11Å; I8-F262 HydrophobicContact CG2-CD2 4.22Å; I8-F262 HydrophobicContact CG2-CE2 3.59Å; I8-F262 HydrophobicContact CG2-CZ 4.11Å
9D37.4Very low43Very low43 Ų4382.3 Ų82.323%0.2341%0.407CS..G310 helixtrans-67.2-27.4167-57.2-32.1000110.8N11 S13D9-N11 VanDerWaalsContact C-N 3.25Å; D9-N11 PolarHBondContact O-N 3.45Å; D9-N11 VanDerWaalsContact O-N 3.08Å; D9-S13 PolarHBondContact O-OG 3.03Å
10F37.5Very low44.8Very low87 Ų8785.6 Ų85.638%0.38242%0.416SS..G310 helixtrans-66.5-7.2-175-149-87.7000116.4I8 D14 E71I8-F10 PolarHBondContact O-N 2.97Å; F10-D14 VanDerWaalsContact CA-OD2 3.26Å; F10-D14 WeakPolarHBondContact CA-OD2 3.43Å; F10-D14 WeakPolarHBondContact CG-OD2 3.07Å; F10-D14 WeakPolarHBondContact O-CB 3.5Å; F10-E71 WeakPolarHBondContact CD2-OE1 3.21Å; F10-E71 WeakPolarHBondContact CE2-OE1 3.17Å
11N43.8Very low46.6Very low94 Ų9483.2 Ų83.250%0.50341%0.405SS..G310 helixtrans-105.2-10.1-168-86.924.8000115.6D9 M15D9-N11 VanDerWaalsContact C-N 3.25Å; D9-N11 PolarHBondContact O-N 3.45Å; D9-N11 VanDerWaalsContact O-N 3.08Å; N11-M15 VanDerWaalsContact O-CE 3.29Å; N11-M15 WeakPolarHBondContact O-CE 3.04Å
12K38.8Very low49.2Very low140 Ų14081.8 Ų81.861%0.60940%0.398SS*.THydrogen-bonded Turntrans-133.6-36.9-174-155.6175.8-175.6-179.20114.8
13S42.7Very low52Low68 Ų6882.4 Ų82.448%0.47640%0.403SS..Hα-helixtrans-64.7-46.9164.349.10000110.2D9 M15 M16 N17D9-S13 PolarHBondContact O-OG 3.03Å; S13-M15 VanDerWaalsContact C-N 3.27Å; S13-M15 PolarHBondContact O-N 3.02Å; S13-M16 PolarHBondContact O-N 3.47Å; S13-N17 WeakPolarHBondContact O-CB 3.47Å; S13-N17 PolarHBondContact O-N 2.8Å
14D48.8Very low54.8Low30 Ų3075.4 Ų75.416%0.1638%0.381CS..Hα-helixtrans-72.3-16.9-175-64.5-40.1000114.1F10 T18F10-D14 VanDerWaalsContact CA-OD2 3.26Å; F10-D14 WeakPolarHBondContact CA-OD2 3.43Å; F10-D14 WeakPolarHBondContact CG-OD2 3.07Å; F10-D14 WeakPolarHBondContact O-CB 3.5Å; D14-T18 WeakPolarHBondContact O-CA 3.24Å; D14-T18 WeakPolarHBondContact O-CB 3Å; D14-T18 PolarHBondContact O-N 3.11Å; D14-T18 PolarHBondContact O-OG1 2.93Å
15M44Very low57.5Low134 Ų13474.5 Ų74.566%0.6638%0.376SS*.Hα-helixtrans-67-43.4171.9-125.8-173-64.100111.3N11 S13 T19N11-M15 VanDerWaalsContact O-CE 3.29Å; N11-M15 WeakPolarHBondContact O-CE 3.04Å; S13-M15 VanDerWaalsContact C-N 3.27Å; S13-M15 PolarHBondContact O-N 3.02Å; M15-T19 PolarHBondContact O-N 3.36Å; M15-T19 PolarHBondContact O-OG1 3.09Å
16M49.2Very low60.1Low159 Ų15976.9 Ų76.978%0.78338%0.383SS*.Hα-helixtrans-76.3-38.5172.9-76.5-153.7-77.500112.5S13 T19 Y20S13-M16 PolarHBondContact O-N 3.47Å; M16-T19 PolarHBondContact O-N 3.39Å; M16-Y20 VanDerWaalsContact O-CB 3.32Å; M16-Y20 WeakPolarHBondContact O-CB 3.14Å; M16-Y20 PolarHBondContact O-N 3.21Å
17N61Low62.7Low75 Ų7579 Ų7940%0.40140%0.397SS..Hα-helixtrans-65.5-43.1179.8-15922.5000111.5S13 Y20 N21S13-N17 WeakPolarHBondContact O-CB 3.47Å; S13-N17 PolarHBondContact O-N 2.8Å; N17-Y20 PolarHBondContact O-N 3.06Å; N17-N21 VanDerWaalsContact O-CB 3.31Å; N17-N21 WeakPolarHBondContact O-CB 3.34Å; N17-N21 PolarHBondContact O-N 3.34Å; N17-N21 PolarHBondContact O-ND2 2.9Å; N17-N21 PolarHBondContact OD1-ND2 2.9Å
18T63.6Low65.2Low55 Ų5580.7 Ų80.734%0.33741%0.405SS..Hα-helixtrans-65.6-43.1177.3-55.60000111.4D14 Y20 N21 Q22D14-T18 WeakPolarHBondContact O-CA 3.24Å; D14-T18 WeakPolarHBondContact O-CB 3Å; D14-T18 PolarHBondContact O-N 3.11Å; D14-T18 PolarHBondContact O-OG1 2.93Å; T18-Y20 PolarHBondContact O-N 3.42Å; T18-N21 PolarHBondContact O-N 3.26Å; T18-Q22 WeakPolarHBondContact O-CB 3.41Å; T18-Q22 PolarHBondContact O-N 3.17Å
19T75.8Confident67.6Low89 Ų8981.7 Ų81.755%0.54641%0.408SS..Hα-helixtrans-63.4-41.7175.5-550000111.8M15 M16 L23M15-T19 PolarHBondContact O-N 3.36Å; M15-T19 PolarHBondContact O-OG1 3.09Å; M16-T19 PolarHBondContact O-N 3.39Å; T19-L23 HydrophobicContact CG2-CD1 4.43Å; T19-L23 WeakPolarHBondContact O-CG 3.28Å; T19-L23 PolarHBondContact O-N 2.95Å; T19-L23 VanDerWaalsContact O-N 3.07Å
20Y78.8Confident70.1Confident148 Ų14884.1 Ų84.158%0.5842%0.418SS*.Hα-helixtrans-65-46.1176.8179.3-104000112.4M16 N17 T18 Q22 L23 I24M16-Y20 VanDerWaalsContact O-CB 3.32Å; M16-Y20 WeakPolarHBondContact O-CB 3.14Å; M16-Y20 PolarHBondContact O-N 3.21Å; N17-Y20 PolarHBondContact O-N 3.06Å; T18-Y20 PolarHBondContact O-N 3.42Å; Y20-Q22 VanDerWaalsContact C-N 3.35Å; Y20-Q22 PolarHBondContact O-N 3.17Å; Y20-L23 PolarHBondContact O-N 3.1Å; Y20-I24 HydrophobicContact CD1-CD1 3.97Å; Y20-I24 HydrophobicContact CE1-CD1 3.36Å; Y20-I24 HydrophobicContact CE1-CG1 4.47Å; Y20-I24 HydrophobicContact CE2-CD1 4.29Å; Y20-I24 PolarHBondContact O-N 2.9Å
21N82.1Confident72.4Confident35 Ų3586.8 Ų86.819%0.18743%0.431CS..Hα-helixtrans-71-29.9179.6-63.2-29.6000112.3N17 T18 C25 H47N17-N21 VanDerWaalsContact O-CB 3.31Å; N17-N21 WeakPolarHBondContact O-CB 3.34Å; N17-N21 PolarHBondContact O-N 3.34Å; N17-N21 PolarHBondContact O-ND2 2.9Å; N17-N21 PolarHBondContact OD1-ND2 2.9Å; T18-N21 PolarHBondContact O-N 3.26Å; N21-C25 VanDerWaalsContact O-CB 3.24Å; N21-C25 WeakPolarHBondContact O-CB 3.48Å; N21-C25 PolarHBondContact O-N 3.37Å; N21-H47 VanDerWaalsContact CB-CE1 3.4Å; N21-H47 WeakPolarHBondContact CB-CE1 3.29Å; N21-H47 WeakPolarHBondContact CB-ND1 3.42Å
22Q87.8Confident74.4Confident36 Ų3686.1 Ų86.117%0.16843%0.428CS..Hα-helixtrans-63.4-46.4169.1178.664.128.400111.2T18 Y20 I24 C25 E26 P45 H47T18-Q22 WeakPolarHBondContact O-CB 3.41Å; T18-Q22 PolarHBondContact O-N 3.17Å; Y20-Q22 VanDerWaalsContact C-N 3.35Å; Y20-Q22 PolarHBondContact O-N 3.17Å; Q22-I24 VanDerWaalsContact C-N 3.35Å; Q22-I24 PolarHBondContact O-N 3.48Å; Q22-C25 WeakPolarHBondContact O-CB 3.38Å; Q22-C25 PolarHBondContact O-N 3.4Å; Q22-C25 VanDerWaalsContact O-N 3.09Å; Q22-E26 PolarHBondContact NE2-OE1 3.05Å; Q22-E26 WeakPolarHBondContact O-CG 3.43Å; Q22-E26 PolarHBondContact O-N 2.76Å; Q22-P45 PolarHBondContact NE2-O 2.94Å; Q22-P45 VanDerWaalsContact NE2-O 3.11Å; Q22-H47 HydrophobicContact CB-CB 4.41Å
23L87.7Confident76.6Confident95 Ų9582.9 Ų82.950%0.49742%0.416SS..Hα-helixtrans-60.7-42.1177.1-74.1165.9000112.2T19 Y20 C25 E26 Q27T19-L23 HydrophobicContact CG2-CD1 4.43Å; T19-L23 WeakPolarHBondContact O-CG 3.28Å; T19-L23 PolarHBondContact O-N 2.95Å; T19-L23 VanDerWaalsContact O-N 3.07Å; Y20-L23 PolarHBondContact O-N 3.1Å; L23-C25 VanDerWaalsContact C-N 3.33Å; L23-E26 PolarHBondContact O-N 2.75Å; L23-Q27 WeakPolarHBondContact O-CG 3.46Å; L23-Q27 PolarHBondContact O-N 3.33Å; L23-Q27 VanDerWaalsContact O-N 3.1Å
24I88.1Confident78.5Confident58 Ų5888.6 Ų88.630%0.29743%0.427SS..Hα-helixtrans-63-41.8173-71.1176.1000110.8Y20 Q22 E26 Q27 I28Y20-I24 HydrophobicContact CD1-CD1 3.97Å; Y20-I24 HydrophobicContact CE1-CD1 3.36Å; Y20-I24 HydrophobicContact CE1-CG1 4.47Å; Y20-I24 HydrophobicContact CE2-CD1 4.29Å; Y20-I24 PolarHBondContact O-N 2.9Å; Q22-I24 VanDerWaalsContact C-N 3.35Å; Q22-I24 PolarHBondContact O-N 3.48Å; I24-E26 VanDerWaalsContact C-N 3.33Å; I24-E26 PolarHBondContact O-N 3.45Å; I24-Q27 PolarHBondContact O-N 3.27Å; I24-I28 HydrophobicContact CG2-CD1 3.73Å; I24-I28 HydrophobicContact CG2-CG1 4.31Å; I24-I28 WeakPolarHBondContact O-CG1 3.36Å; I24-I28 PolarHBondContact O-N 3.02Å
25C91Very high80.3Confident0 Ų093.4 Ų93.40%045%0.453CS..Hα-helixtrans-63.3-38.8-179.8-173.10000112.7N21 Q22 L23 Y29 H47 C52N21-C25 VanDerWaalsContact O-CB 3.24Å; N21-C25 WeakPolarHBondContact O-CB 3.48Å; N21-C25 PolarHBondContact O-N 3.37Å; Q22-C25 WeakPolarHBondContact O-CB 3.38Å; Q22-C25 PolarHBondContact O-N 3.4Å; Q22-C25 VanDerWaalsContact O-N 3.09Å; L23-C25 VanDerWaalsContact C-N 3.33Å; C25-Y29 PolarHBondContact O-N 2.95Å; C25-H47 HydrophobicContact CB-CB 3.98Å; C25-C52 WeakPolarHBondContact CA-SG 3.27Å; C25-C52 HydrophobicContact CB-CB 3.8Å; C25-C52 WeakPolarHBondContact CB-SG 3.48Å; C25-C52 WeakPolarHBondContact SG-CA 3.41Å; C25-C52 WeakPolarHBondContact SG-CB 3.26Å; C25-C52 CovalentContact SG-SG 2.03Å; C25-C52 PolarHBondContact SG-SG 3.14Å
26E90.5Very high82.2Confident84 Ų8489.6 Ų89.639%0.39343%0.433SS..Hα-helixtrans-66.3-40.6173.3-72169.7-167.300111.9Q22 L23 I24 Y29 E30Q22-E26 PolarHBondContact NE2-OE1 3.05Å; Q22-E26 WeakPolarHBondContact O-CG 3.43Å; Q22-E26 PolarHBondContact O-N 2.76Å; L23-E26 PolarHBondContact O-N 2.75Å; I24-E26 VanDerWaalsContact C-N 3.33Å; I24-E26 PolarHBondContact O-N 3.45Å; E26-Y29 PolarHBondContact O-N 3.4Å; E26-E30 PolarHBondContact O-N 3.28Å; E26-E30 VanDerWaalsContact O-N 3.16Å
27Q90Very high84Confident139 Ų13985.9 Ų85.965%0.6542%0.416SS*.Hα-helixtrans-64-41.3175.5-74.5179.7-22.100113L23 I24 Y29 E30L23-Q27 WeakPolarHBondContact O-CG 3.46Å; L23-Q27 PolarHBondContact O-N 3.33Å; L23-Q27 VanDerWaalsContact O-N 3.1Å; I24-Q27 PolarHBondContact O-N 3.27Å; Q27-Y29 PolarHBondContact O-N 3.41Å; Q27-E30 PolarHBondContact O-N 3.35Å
28I89.5Confident85Confident107 Ų10792.3 Ų92.355%0.54944%0.441SS..Hα-helixtrans-59.4-34.1178.8-72.8166.2000111.7I24I24-I28 HydrophobicContact CG2-CD1 3.73Å; I24-I28 HydrophobicContact CG2-CG1 4.31Å; I24-I28 WeakPolarHBondContact O-CG1 3.36Å; I24-I28 PolarHBondContact O-N 3.02Å
29Y91.4Very high86.1Confident39 Ų3995.4 Ų95.415%0.15346%0.46CS..THydrogen-bonded Turntrans-10815.2-175.3-67.2-55.6000114.4C25 E26 Q27 E31 N32 I33 P45 C52 P54C25-Y29 PolarHBondContact O-N 2.95Å; E26-Y29 PolarHBondContact O-N 3.4Å; Q27-Y29 PolarHBondContact O-N 3.41Å; Y29-E31 VanDerWaalsContact C-N 3.32Å; Y29-E31 PolarHBondContact O-N 3.2Å; Y29-N32 HydrophobicContact CD1-CB 4.5Å; Y29-N32 WeakPolarHBondContact CD1-ND2 3.27Å; Y29-N32 PolarHBondContact O-N 3.4Å; Y29-N32 VanDerWaalsContact O-N 3.11Å; Y29-I33 WeakPolarHBondContact O-CG1 3.47Å; Y29-I33 PolarHBondContact O-N 3.49Å; Y29-P45 HydrophobicContact CD2-CB 4.09Å; Y29-P45 HydrophobicContact CD2-CG 4.44Å; Y29-C52 WeakPolarHBondContact CE2-SG 3.33Å; Y29-P54 HydrophobicContact CD1-CB 4.35Å; Y29-P54 HydrophobicContact CD2-CB 4.47Å; Y29-P54 HydrophobicContact CE1-CB 3.8Å; Y29-P54 VanDerWaalsContact CE2-CA 3.41Å; Y29-P54 HydrophobicContact CE2-CB 3.89Å
30E89.2Confident86.7Confident94 Ų9495.3 Ų95.344%0.43946%0.455SS..Hα-helixtrans-57.9-42-178.4-162.4-167.4154.800112.5E26 Q27 I33 R34E26-E30 PolarHBondContact O-N 3.28Å; E26-E30 VanDerWaalsContact O-N 3.16Å; Q27-E30 PolarHBondContact O-N 3.35Å; E30-I33 PolarHBondContact O-N 3.04Å; E30-R34 WeakPolarHBondContact O-CG 3.23Å; E30-R34 PolarHBondContact O-N 3.18Å; E30-R34 IonicContact OE1-CZ 3.37Å; E30-R34 IonicContact OE1-NE 3.37Å; E30-R34 PolarHBondContact OE1-NE 3.16Å; E30-R34 IonicContact OE1-NH2 3.79Å; E30-R34 PolarHBondContact OE1-NH2 3.34Å
31E86.4Confident87.3Confident143 Ų14392.8 Ų92.867%0.66845%0.451SS*.Hα-helixtrans-66.5-40.5176.7-172.6169.1-161.800112Y29 I33 R34 L35Y29-E31 VanDerWaalsContact C-N 3.32Å; Y29-E31 PolarHBondContact O-N 3.2Å; E31-I33 VanDerWaalsContact C-N 3.31Å; E31-I33 PolarHBondContact O-N 2.94Å; E31-R34 WeakPolarHBondContact O-CB 3.28Å; E31-R34 PolarHBondContact O-N 3.05Å; E31-R34 VanDerWaalsContact O-N 3.11Å; E31-L35 HydrophobicContact CG-CD1 4.17Å; E31-L35 WeakPolarHBondContact O-CG 3.25Å; E31-L35 PolarHBondContact O-N 3.45Å; E31-L35 VanDerWaalsContact O-N 3.16Å
32N85.4Confident87.8Confident81 Ų8194.1 Ų94.143%0.43345%0.454SS..Hα-helixtrans-62.4-37.5176.4-74.4-1.7000112Y29 L35 Q36 P55Y29-N32 HydrophobicContact CD1-CB 4.5Å; Y29-N32 WeakPolarHBondContact CD1-ND2 3.27Å; Y29-N32 PolarHBondContact O-N 3.4Å; Y29-N32 VanDerWaalsContact O-N 3.11Å; N32-L35 PolarHBondContact O-N 3.14Å; N32-Q36 WeakPolarHBondContact O-CG 3.06Å; N32-P55 HydrophobicContact CB-CG 4Å
33I85Confident88.1Confident71 Ų7192.4 Ų92.436%0.36445%0.446SS..Hα-helixtrans-62.8-43.3173.4-61.7166.7000110.5Y29 E30 E31 L35 Q36 P45Y29-I33 WeakPolarHBondContact O-CG1 3.47Å; Y29-I33 PolarHBondContact O-N 3.49Å; E30-I33 PolarHBondContact O-N 3.04Å; E31-I33 VanDerWaalsContact C-N 3.31Å; E31-I33 PolarHBondContact O-N 2.94Å; I33-L35 PolarHBondContact O-N 3.25Å; I33-Q36 WeakPolarHBondContact O-CB 3.13Å; I33-Q36 PolarHBondContact O-N 3.07Å; I33-P45 HydrophobicContact CD1-CG 3.86Å; I33-P45 HydrophobicContact CG1-CG 4.14Å
34R83.9Confident88.3Confident188 Ų18891.5 Ų91.571%0.70945%0.446SS*.Hα-helixtrans-64.4-25.9-179.1-68.8173-178.2-1543.8113.4E30 E31E30-R34 WeakPolarHBondContact O-CG 3.23Å; E30-R34 PolarHBondContact O-N 3.18Å; E30-R34 IonicContact OE1-CZ 3.37Å; E30-R34 IonicContact OE1-NE 3.37Å; E30-R34 PolarHBondContact OE1-NE 3.16Å; E30-R34 IonicContact OE1-NH2 3.79Å; E30-R34 PolarHBondContact OE1-NH2 3.34Å; E31-R34 WeakPolarHBondContact O-CB 3.28Å; E31-R34 PolarHBondContact O-N 3.05Å; E31-R34 VanDerWaalsContact O-N 3.11Å
35L85.4Confident88.5Confident132 Ų13289 Ų8969%0.69143%0.434SS*.THydrogen-bonded Turntrans-90.7-0.5-179.2-66.2171.9000114.2E31 N32 I33E31-L35 HydrophobicContact CG-CD1 4.17Å; E31-L35 WeakPolarHBondContact O-CG 3.25Å; E31-L35 PolarHBondContact O-N 3.45Å; E31-L35 VanDerWaalsContact O-N 3.16Å; N32-L35 PolarHBondContact O-N 3.14Å; I33-L35 PolarHBondContact O-N 3.25Å
36Q85Confident88.5Confident54 Ų5493.7 Ų93.725%0.25245%0.452SS..SBendtrans-68.6141.5-179.8-76172.6-23.300113.3N32 I33 K38 Y42N32-Q36 WeakPolarHBondContact O-CG 3.06Å; I33-Q36 WeakPolarHBondContact O-CB 3.13Å; I33-Q36 PolarHBondContact O-N 3.07Å; Q36-K38 PolarHBondContact O-N 2.87Å; Q36-Y42 HydrophobicContact CB-CD2 4.19Å; Q36-Y42 HydrophobicContact CB-CE2 3.94Å; Q36-Y42 HydrophobicContact CG-CD1 4.28Å; Q36-Y42 HydrophobicContact CG-CD2 4.06Å; Q36-Y42 HydrophobicContact CG-CE1 4.29Å; Q36-Y42 HydrophobicContact CG-CE2 4.04Å; Q36-Y42 HydrophobicContact CG-CG 4.19Å
37D86.7Confident88.5Confident80 Ų8090.6 Ų90.643%0.42844%0.438SS..  trans-71.8117.6168.8-170.6-26.9000109.8T39 L40D37-T39 PolarHBondContact O-N 3.36Å; D37-T39 VanDerWaalsContact O-N 3.11Å; D37-T39 WeakPolarHBondContact OD1-CB 3.46Å; D37-T39 WeakPolarHBondContact OD1-CG2 3.39Å; D37-T39 PolarHBondContact OD1-N 2.77Å; D37-T39 PolarHBondContact OD1-OG1 3.46Å; D37-T39 PolarHBondContact OD2-OG1 2.93Å; D37-L40 HydrophobicContact CB-CD1 4.27Å; D37-L40 HydrophobicContact CB-CG 4.44Å; D37-L40 PolarHBondContact O-N 3.43Å; D37-L40 VanDerWaalsContact O-N 3.09Å
38K82.8Confident88.4Confident210 Ų21085.9 Ų85.991%0.91342%0.417SS*.THydrogen-bonded Turntrans-67.1-8.8-179-62-177.3-179.3179.10114.1Q36Q36-K38 PolarHBondContact O-N 2.87Å
39T85.1Confident88Confident120 Ų12081.7 Ų81.774%0.73640%0.4SS*.THydrogen-bonded Turntrans-85.6-15.1174.266.50000113.2D37D37-T39 PolarHBondContact O-N 3.36Å; D37-T39 VanDerWaalsContact O-N 3.11Å; D37-T39 WeakPolarHBondContact OD1-CB 3.46Å; D37-T39 WeakPolarHBondContact OD1-CG2 3.39Å; D37-T39 PolarHBondContact OD1-N 2.77Å; D37-T39 PolarHBondContact OD1-OG1 3.46Å; D37-T39 PolarHBondContact OD2-OG1 2.93Å
40L88.3Confident87.6Confident87 Ų8780.8 Ų80.846%0.45540%0.401SS..SBendtrans-107.4148.5-177.4-66.7176.7000111.5D37 Y42 L57D37-L40 HydrophobicContact CB-CD1 4.27Å; D37-L40 HydrophobicContact CB-CG 4.44Å; D37-L40 PolarHBondContact O-N 3.43Å; D37-L40 VanDerWaalsContact O-N 3.09Å; L40-Y42 HydrophobicContact CB-CD2 4.36Å; L40-Y42 HydrophobicContact CB-CE2 3.64Å; L40-Y42 WeakPolarHBondContact O-CD2 3.48Å; L40-L57 HydrophobicContact CB-CD1 3.75Å; L40-L57 HydrophobicContact CD1-CD1 4Å; L40-L57 HydrophobicContact CD2-CD1 4.33Å; L40-L57 HydrophobicContact CG-CD1 4.25Å
41L92.1Very high87.5Confident95 Ų9577 Ų7750%0.49739%0.385SS..  trans-92.6127.6178.6-172.360.8000109.9L57 A58L41-L57 WeakPolarHBondContact O-CD1 3.44Å; L41-A58 HydrophobicContact CB-CB 4.03Å; L41-A58 HydrophobicContact CD2-CB 4.26Å; L41-A58 HydrophobicContact CG-CB 4.09Å; L41-A58 VanDerWaalsContact O-CB 3.28Å; L41-A58 WeakPolarHBondContact O-CB 3.39Å; L41-A58 PolarHBondContact O-N 3.09Å
42Y92.7Very high87.8Confident63 Ų6371.3 Ų71.325%0.24736%0.36CS..EExtended strand (participates in β ladder)trans-123.4149.5-179.7-66.5-97.3000110.7Q36 L40 I56 L57Q36-Y42 HydrophobicContact CB-CD2 4.19Å; Q36-Y42 HydrophobicContact CB-CE2 3.94Å; Q36-Y42 HydrophobicContact CG-CD1 4.28Å; Q36-Y42 HydrophobicContact CG-CD2 4.06Å; Q36-Y42 HydrophobicContact CG-CE1 4.29Å; Q36-Y42 HydrophobicContact CG-CE2 4.04Å; Q36-Y42 HydrophobicContact CG-CG 4.19Å; L40-Y42 HydrophobicContact CB-CD2 4.36Å; L40-Y42 HydrophobicContact CB-CE2 3.64Å; L40-Y42 WeakPolarHBondContact O-CD2 3.48Å; Y42-I56 CarbonylContact C-O 3.53Å; Y42-I56 VanDerWaalsContact CA-O 3.28Å; Y42-I56 WeakPolarHBondContact CA-O 3.08Å; Y42-L57 HydrophobicContact CD1-CB 4.43Å; Y42-L57 HydrophobicContact CE1-CB 4.33Å; Y42-L57 HydrophobicContact CE1-CD1 4.24Å
43C93.6Very high88.2Confident0 Ų067.5 Ų67.50%034%0.339CS..EExtended strand (participates in β ladder)trans-74.3137.6159.2-710000110P55 I56 C85 G89 W91C43-P55 WeakPolarHBondContact O-CA 3.42Å; C43-P55 VanDerWaalsContact O-CB 3.32Å; C43-P55 WeakPolarHBondContact O-CB 3.32Å; C43-I56 PolarHBondContact N-O 2.93Å; C43-I56 PolarHBondContact O-N 2.86Å; C43-C85 HydrophobicContact CB-CB 3.88Å; C43-C85 WeakPolarHBondContact CB-SG 3.46Å; C43-C85 PolarHBondContact N-SG 3.16Å; C43-C85 VanDerWaalsContact N-SG 3.4Å; C43-C85 WeakPolarHBondContact SG-CA 3.38Å; C43-C85 WeakPolarHBondContact SG-CB 2.89Å; C43-C85 CovalentContact SG-SG 2.02Å; C43-C85 PolarHBondContact SG-SG 3.46Å; C43-G89 WeakPolarHBondContact CA-O 3.44Å; C43-G89 PolarHBondContact SG-O 3.36Å; C43-G89 VanDerWaalsContact SG-O 3.33Å; C43-W91 HydrophobicContact CB-CD2 3.85Å; C43-W91 VanDerWaalsContact CB-CE2 3.47Å; C43-W91 HydrophobicContact CB-CE3 4.36Å; C43-W91 HydrophobicContact CB-CG 4.27Å; C43-W91 HydrophobicContact CB-CH2 4.26Å; C43-W91 HydrophobicContact CB-CZ2 3.71Å
44P92Very high88.6Confident77 Ų7765.1 Ų65.150%0.533%0.329SS..PPolyproline II helixtrans-72.2167175.831.9-36.4000111.6W91P44-W91 PolarHBondContact O-NE1 3.5Å
45P92.2Very high89Confident5 Ų557.1 Ų57.13%0.03230%0.301CS..PPolyproline II helixtrans-56.9140.9170.2-21.433.4000111.9Q22 Y29 I33 W53 P55Q22-P45 PolarHBondContact NE2-O 2.94Å; Q22-P45 VanDerWaalsContact NE2-O 3.11Å; Y29-P45 HydrophobicContact CD2-CB 4.09Å; Y29-P45 HydrophobicContact CD2-CG 4.44Å; I33-P45 HydrophobicContact CD1-CG 3.86Å; I33-P45 HydrophobicContact CG1-CG 4.14Å; P45-W53 WeakPolarHBondContact CA-O 3.24Å; P45-P55 HydrophobicContact CG-CB 4.33Å; P45-P55 HydrophobicContact CG-CG 4.26Å
46Y92.4Very high89.4Confident98 Ų9852.8 Ų52.838%0.38428%0.278SS..EExtended strand (participates in β ladder)trans-147.2132.8-176.5179.4-102.9000111.8D48 W53 W91Y46-D48 HydrophobicContact CD1-CB 4.23Å; Y46-D48 HydrophobicContact CE1-CB 3.71Å; Y46-W53 PolarHBondContact N-O 3.31Å; Y46-W53 WeakPolarHBondContact O-CB 3.46Å; Y46-W53 VanDerWaalsContact O-CD1 3.25Å; Y46-W53 PolarHBondContact O-N 3.49Å; Y46-W91 VanDerWaalsContact CB-NE1 3.29Å; Y46-W91 AromaticContact CG-CD1 3.89Å
47H90Very high89.8Confident20 Ų2053.1 Ų53.19%0.09328%0.281CS..EExtended strand (participates in β ladder)trans-103.6115.9175.3-169.8-87.6000110N21 Q22 C25 G49N21-H47 VanDerWaalsContact CB-CE1 3.4Å; N21-H47 WeakPolarHBondContact CB-CE1 3.29Å; N21-H47 WeakPolarHBondContact CB-ND1 3.42Å; Q22-H47 HydrophobicContact CB-CB 4.41Å; C25-H47 HydrophobicContact CB-CB 3.98Å; H47-G49 VanDerWaalsContact C-N 3.32Å; H47-G49 PolarHBondContact CE1-O 3.39Å; H47-G49 VanDerWaalsContact CE1-O 3.24Å; H47-G49 PolarHBondContact ND1-N 2.95Å; H47-G49 PolarHBondContact O-N 3.07Å
48D86.3Confident90.1Very high39 Ų3950.3 Ų50.321%0.20927%0.27CS..  trans-90.57.9-175.172.5-0.4000115Y46 A50 T51 W53 S95 Y97Y46-D48 HydrophobicContact CD1-CB 4.23Å; Y46-D48 HydrophobicContact CE1-CB 3.71Å; D48-A50 PolarHBondContact OD1-N 3.09Å; D48-T51 PolarHBondContact N-O 3.15Å; D48-T51 PolarHBondContact OD1-N 3.23Å; D48-W53 PolarHBondContact OD2-NE1 2.7Å; D48-S95 WeakPolarHBondContact OD2-CB 3.41Å; D48-S95 PolarHBondContact OD2-OG 2.7Å; D48-Y97 VanDerWaalsContact CG-OH 3.25Å; D48-Y97 PolarHBondContact OD1-OH 3.27Å; D48-Y97 WeakPolarHBondContact OD2-CE2 2.94Å; D48-Y97 PolarHBondContact OD2-OH 2.94Å
49G81.9Confident90.6Very high19 Ų1942.6 Ų42.620%0.19625%0.249CC..SBendtrans107.4-35.5-174.300000112.5H47 Y70H47-G49 VanDerWaalsContact C-N 3.32Å; H47-G49 PolarHBondContact CE1-O 3.39Å; H47-G49 VanDerWaalsContact CE1-O 3.24Å; H47-G49 PolarHBondContact ND1-N 2.95Å; H47-G49 PolarHBondContact O-N 3.07Å; G49-Y70 WeakPolarHBondContact O-CE2 3.24Å
50A82.6Confident91.1Very high21 Ų2139 Ų3917%0.17423%0.227CC..SBendtrans-113.9-36.5-177.300000114D48 Y70 Y97D48-A50 PolarHBondContact OD1-N 3.09Å; A50-Y70 HydrophobicContact CB-CD1 4.1Å; A50-Y70 HydrophobicContact CB-CD2 3.58Å; A50-Y70 HydrophobicContact CB-CE1 4.08Å; A50-Y70 HydrophobicContact CB-CE2 3.58Å; A50-Y70 HydrophobicContact CB-CG 3.87Å; A50-Y97 HydrophobicContact CB-CE1 4.23Å
51T88.2Confident91.3Very high15 Ų1540.5 Ų40.59%0.09223%0.23CC..  trans-132.8140.9-178.3-48.80000111.1D48 M64 Y97D48-T51 PolarHBondContact N-O 3.15Å; D48-T51 PolarHBondContact OD1-N 3.23Å; T51-M64 HydrophobicContact CG2-CB 3.88Å; T51-M64 HydrophobicContact CG2-CE 4.25Å; T51-M64 HydrophobicContact CG2-CG 4.04Å; T51-Y97 WeakPolarHBondContact CB-OH 3.13Å; T51-Y97 PolarHBondContact N-OH 2.99Å; T51-Y97 WeakPolarHBondContact OG1-CE1 3.25Å; T51-Y97 PolarHBondContact OG1-OH 3.47Å
52C92.4Very high91.4Very high23 Ų2336.5 Ų36.516%0.15521%0.21CC..EExtended strand (participates in β ladder)trans-83.1114166.9175.30000109.7C25 Y29C25-C52 WeakPolarHBondContact CA-SG 3.27Å; C25-C52 HydrophobicContact CB-CB 3.8Å; C25-C52 WeakPolarHBondContact CB-SG 3.48Å; C25-C52 WeakPolarHBondContact SG-CA 3.41Å; C25-C52 WeakPolarHBondContact SG-CB 3.26Å; C25-C52 CovalentContact SG-SG 2.03Å; C25-C52 PolarHBondContact SG-SG 3.14Å; Y29-C52 WeakPolarHBondContact CE2-SG 3.33Å
53W93Very high91.4Very high0 Ų039.3 Ų39.30%023%0.225CC..EExtended strand (participates in β ladder)trans-87.1128.5-179.4-61.794000110.6P45 Y46 D48 V62 M64 A81 K83 W91 Y97P45-W53 WeakPolarHBondContact CA-O 3.24Å; Y46-W53 PolarHBondContact N-O 3.31Å; Y46-W53 WeakPolarHBondContact O-CB 3.46Å; Y46-W53 VanDerWaalsContact O-CD1 3.25Å; Y46-W53 PolarHBondContact O-N 3.49Å; D48-W53 PolarHBondContact OD2-NE1 2.7Å; W53-V62 HydrophobicContact CD2-CG1 4.46Å; W53-V62 HydrophobicContact CE3-CG1 3.46Å; W53-V62 VanDerWaalsContact CE3-CG1 3.46Å; W53-V62 HydrophobicContact CE3-CG2 4.32Å; W53-V62 HydrophobicContact CZ3-CG1 3.9Å; W53-M64 HydrophobicContact CE3-CB 4.45Å; W53-M64 HydrophobicContact CE3-CG 3.66Å; W53-M64 HydrophobicContact CH2-CB 4.33Å; W53-M64 HydrophobicContact CH2-CG 4.4Å; W53-M64 HydrophobicContact CZ3-CB 3.92Å; W53-M64 HydrophobicContact CZ3-CG 3.57Å; W53-A81 HydrophobicContact CH2-CB 3.82Å; W53-A81 HydrophobicContact CZ2-CB 4.34Å; W53-K83 HydrophobicContact CB-CD 4.48Å; W53-K83 HydrophobicContact CD2-CB 3.7Å; W53-K83 HydrophobicContact CD2-CD 3.7Å; W53-K83 HydrophobicContact CD2-CG 4.37Å; W53-K83 HydrophobicContact CE3-CB 3.65Å; W53-K83 HydrophobicContact CE3-CD 4.47Å; W53-K83 HydrophobicContact CG-CB 4.44Å; W53-K83 HydrophobicContact CG-CD 3.64Å; W53-K83 HydrophobicContact CH2-CB 3.85Å; W53-K83 HydrophobicContact CZ2-CB 3.9Å; W53-K83 HydrophobicContact CZ2-CD 4.4Å; W53-K83 HydrophobicContact CZ3-CB 3.72Å; W53-W91 HydrophobicContact CB-CH2 4.1Å; W53-W91 HydrophobicContact CB-CZ2 3.97Å; W53-Y97 HydrophobicContact CZ2-CE2 4.38Å
54P93.5Very high91.3Very high22 Ų2241.1 Ų41.114%0.14323%0.234CC..PPolyproline II helixtrans-67.8155.4176.529.1-35.4000111.2Y29 I56 V62 M64 W91Y29-P54 HydrophobicContact CD1-CB 4.35Å; Y29-P54 HydrophobicContact CD2-CB 4.47Å; Y29-P54 HydrophobicContact CE1-CB 3.8Å; Y29-P54 VanDerWaalsContact CE2-CA 3.41Å; Y29-P54 HydrophobicContact CE2-CB 3.89Å; P54-I56 PolarHBondContact O-N 3.18Å; P54-V62 HydrophobicContact CG-CG2 3.74Å; P54-M64 HydrophobicContact CG-SD 4.23Å; P54-W91 WeakPolarHBondContact O-CH2 3.49Å; P54-W91 WeakPolarHBondContact O-CZ2 3.31Å
55P92.8Very high91.2Very high19 Ų1941.5 Ų41.512%0.12324%0.237CC..PPolyproline II helixtrans-67.9135.1173.430.1-32.6000110.2N32 C43 P45N32-P55 HydrophobicContact CB-CG 4Å; C43-P55 WeakPolarHBondContact O-CA 3.42Å; C43-P55 VanDerWaalsContact O-CB 3.32Å; C43-P55 WeakPolarHBondContact O-CB 3.32Å; P45-P55 HydrophobicContact CG-CB 4.33Å; P45-P55 HydrophobicContact CG-CG 4.26Å
56I93.1Very high91.1Very high41 Ų4141.7 Ų41.721%0.2124%0.238CC..EExtended strand (participates in β ladder)trans-143.7157.1-175-153.5177.7000111.3Y42 C43 P54 T60 V62 C85 W91Y42-I56 CarbonylContact C-O 3.53Å; Y42-I56 VanDerWaalsContact CA-O 3.28Å; Y42-I56 WeakPolarHBondContact CA-O 3.08Å; C43-I56 PolarHBondContact N-O 2.93Å; C43-I56 PolarHBondContact O-N 2.86Å; P54-I56 PolarHBondContact O-N 3.18Å; I56-T60 WeakPolarHBondContact CD1-OG1 3.33Å; I56-T60 VanDerWaalsContact CG1-OG1 3.31Å; I56-T60 WeakPolarHBondContact CG1-OG1 3.41Å; I56-V62 HydrophobicContact CD1-CB 3.84Å; I56-C85 HydrophobicContact CG2-CB 3.64Å; I56-W91 HydrophobicContact CG2-CH2 3.67Å; I56-W91 HydrophobicContact CG2-CZ3 4.05Å
57L93.9Very high90.8Very high61 Ų6138.6 Ų38.632%0.31923%0.229SC..EExtended strand (participates in β ladder)trans-62.2142.1-177.4-171.972000111.9L40 L41 Y42 T60L40-L57 HydrophobicContact CB-CD1 3.75Å; L40-L57 HydrophobicContact CD1-CD1 4Å; L40-L57 HydrophobicContact CD2-CD1 4.33Å; L40-L57 HydrophobicContact CG-CD1 4.25Å; L41-L57 WeakPolarHBondContact O-CD1 3.44Å; Y42-L57 HydrophobicContact CD1-CB 4.43Å; Y42-L57 HydrophobicContact CE1-CB 4.33Å; Y42-L57 HydrophobicContact CE1-CD1 4.24Å; L57-T60 HydrophobicContact CB-CG2 3.99Å; L57-T60 HydrophobicContact CD2-CG2 4.27Å; L57-T60 HydrophobicContact CG-CG2 4.44Å; L57-T60 WeakPolarHBondContact O-CB 3.27Å; L57-T60 PolarHBondContact O-N 2.9Å; L57-T60 PolarHBondContact O-OG1 3.25Å
58A94.2Very high90.3Very high22 Ų2241.9 Ų41.918%0.18226%0.255CS..THydrogen-bonded Turntrans-55.6137.3172.300000111.9L41 L86L41-A58 HydrophobicContact CB-CB 4.03Å; L41-A58 HydrophobicContact CD2-CB 4.26Å; L41-A58 HydrophobicContact CG-CB 4.09Å; L41-A58 VanDerWaalsContact O-CB 3.28Å; L41-A58 WeakPolarHBondContact O-CB 3.39Å; L41-A58 PolarHBondContact O-N 3.09Å; A58-L86 WeakPolarHBondContact CB-O 3.36Å
59G92.9Very high89.7Confident47 Ų4743 Ų4349%0.48527%0.265SS..THydrogen-bonded Turntrans80.311.6-175.200000114.9C85G59-C85 VanDerWaalsContact CA-O 3.29Å; G59-C85 WeakPolarHBondContact CA-O 3.26Å; G59-C85 PolarHBondContact N-O 3.16Å
60T94.4Very high89Confident44 Ų4444.4 Ų44.427%0.2727%0.265SS..  trans-120.3160.4-179.4730000113.5I56 L57 C85I56-T60 WeakPolarHBondContact CD1-OG1 3.33Å; I56-T60 VanDerWaalsContact CG1-OG1 3.31Å; I56-T60 WeakPolarHBondContact CG1-OG1 3.41Å; L57-T60 HydrophobicContact CB-CG2 3.99Å; L57-T60 HydrophobicContact CD2-CG2 4.27Å; L57-T60 HydrophobicContact CG-CG2 4.44Å; L57-T60 WeakPolarHBondContact O-CB 3.27Å; L57-T60 PolarHBondContact O-N 2.9Å; L57-T60 PolarHBondContact O-OG1 3.25Å; T60-C85 PolarHBondContact N-O 2.94Å; T60-C85 PolarHBondContact O-N 3.34Å
61K93Very high88.1Confident119 Ų11947.9 Ų47.952%0.51728%0.278SS..EExtended strand (participates in β ladder)trans-116.5130.1-177.2-176.9178.9175.1178.40110.8S82 K83K61-S82 WeakPolarHBondContact CE-OG 3.2Å; K61-S82 PolarHBondContact NZ-OG 3.47Å; K61-K83 WeakPolarHBondContact CA-O 3.38Å; K61-K83 WeakPolarHBondContact CG-O 3.38Å
62V93.7Very high86.7Confident12 Ų1250.8 Ų50.87%0.07331%0.31CS..EExtended strand (participates in β ladder)trans-99.3147.7175.657.90000110.9W53 P54 I56 M64 S82 K83 W91W53-V62 HydrophobicContact CD2-CG1 4.46Å; W53-V62 HydrophobicContact CE3-CG1 3.46Å; W53-V62 VanDerWaalsContact CE3-CG1 3.46Å; W53-V62 HydrophobicContact CE3-CG2 4.32Å; W53-V62 HydrophobicContact CZ3-CG1 3.9Å; P54-V62 HydrophobicContact CG-CG2 3.74Å; I56-V62 HydrophobicContact CD1-CB 3.84Å; V62-M64 HydrophobicContact CG2-CG 4.38Å; V62-S82 VanDerWaalsContact O-CA 3.24Å; V62-S82 WeakPolarHBondContact O-CA 3.27Å; V62-S82 VanDerWaalsContact O-CB 3.28Å; V62-S82 WeakPolarHBondContact O-CB 3.43Å; V62-K83 HydrophobicContact CG1-CB 4.07Å; V62-K83 WeakPolarHBondContact CG1-O 3.38Å; V62-K83 PolarHBondContact N-O 3.49Å; V62-K83 PolarHBondContact O-N 2.9Å; V62-W91 HydrophobicContact CG1-CH2 3.85Å; V62-W91 HydrophobicContact CG1-CZ3 3.8Å
63Q93.6Very high85.2Confident121 Ų12153.3 Ų53.357%0.56532%0.32SS*.EExtended strand (participates in β ladder)trans-120.5142.3168.1-58.3-169.21000109.7N80 A81Q63-N80 HydrophobicContact CB-CB 4.28Å; Q63-N80 PolarHBondContact OE1-ND2 2.8Å; Q63-A81 CarbonylContact C-O 3.58Å; Q63-A81 VanDerWaalsContact CA-O 3.28Å; Q63-A81 WeakPolarHBondContact CA-O 3.38Å
64M91.3Very high84.1Confident39 Ų3959.5 Ų59.519%0.19235%0.351CS..EExtended strand (participates in β ladder)trans-133.5144.3176.7-68.7-64.7-72.400108.8T51 W53 P54 V62 N80 A81T51-M64 HydrophobicContact CG2-CB 3.88Å; T51-M64 HydrophobicContact CG2-CE 4.25Å; T51-M64 HydrophobicContact CG2-CG 4.04Å; W53-M64 HydrophobicContact CE3-CB 4.45Å; W53-M64 HydrophobicContact CE3-CG 3.66Å; W53-M64 HydrophobicContact CH2-CB 4.33Å; W53-M64 HydrophobicContact CH2-CG 4.4Å; W53-M64 HydrophobicContact CZ3-CB 3.92Å; W53-M64 HydrophobicContact CZ3-CG 3.57Å; P54-M64 HydrophobicContact CG-SD 4.23Å; V62-M64 HydrophobicContact CG2-CG 4.38Å; M64-N80 CarbonylContact O-C 3.52Å; M64-N80 VanDerWaalsContact O-CA 3.29Å; M64-N80 WeakPolarHBondContact O-CA 3.29Å; M64-A81 PolarHBondContact N-O 3.31Å; M64-A81 PolarHBondContact O-N 2.69Å
65P90.5Very high83.4Confident85 Ų8559.8 Ų59.855%0.55235%0.349SS*.EExtended strand (participates in β ladder)trans-60.7142.8175.127-34.7000110.5N80P65-N80 WeakPolarHBondContact CA-OD1 3.47Å
66C89.8Confident82.9Confident9 Ų960.8 Ų60.86%0.06135%0.354CS..PPolyproline II helixtrans-62.4133.7178.9-62.70000111.2S68 N76 E79 C100C66-S68 PolarHBondContact O-N 3.22Å; C66-N76 WeakPolarHBondContact CB-O 3.5Å; C66-E79 PolarHBondContact N-O 2.92Å; C66-E79 PolarHBondContact SG-O 3.03Å; C66-C100 HydrophobicContact CB-CB 3.63Å; C66-C100 WeakPolarHBondContact CB-SG 3.44Å; C66-C100 WeakPolarHBondContact SG-CA 3.36Å; C66-C100 WeakPolarHBondContact SG-CB 3.19Å; C66-C100 CovalentContact SG-SG 2.02Å; C66-C100 PolarHBondContact SG-SG 3.3Å
67P85.6Confident82.4Confident32 Ų3263 Ų6321%0.20837%0.371CS..PPolyproline II helixtrans-65.4135.7177.424.7-30.9000110S69 Y75P67-S69 PolarHBondContact O-N 2.97Å; P67-Y75 HydrophobicContact CG-CD2 3.94Å; P67-Y75 HydrophobicContact CG-CE2 4.19Å; P67-Y75 WeakPolarHBondContact O-CB 3.42Å; P67-Y75 WeakPolarHBondContact O-CD2 3.22Å
68S78.9Confident81.9Confident90 Ų9067 Ų6763%0.62939%0.392SS*.SBendtrans-53.5-34.7-171.955.80000114C66 Y75C66-S68 PolarHBondContact O-N 3.22Å; S68-Y75 PolarHBondContact O-N 2.83Å
69S73.8Confident81.6Confident61 Ų6170 Ų7043%0.42740%0.402SS..EExtended strand (participates in β ladder)trans-147.9142.8168.766.50000112.1P67 Q73P67-S69 PolarHBondContact O-N 2.97Å; S69-Q73 CarbonylContact C-O 3.33Å; S69-Q73 WeakPolarHBondContact CA-O 3.35Å; S69-Q73 WeakPolarHBondContact CB-O 3.44Å
70Y68.1Low81.5Confident50 Ų5071 Ų7120%0.19640%0.396CS..EExtended strand (participates in β ladder)trans-136.1136.4171.4-172.9-112.5000109.9G49 A50 G72 Q73 Y75G49-Y70 WeakPolarHBondContact O-CE2 3.24Å; A50-Y70 HydrophobicContact CB-CD1 4.1Å; A50-Y70 HydrophobicContact CB-CD2 3.58Å; A50-Y70 HydrophobicContact CB-CE1 4.08Å; A50-Y70 HydrophobicContact CB-CE2 3.58Å; A50-Y70 HydrophobicContact CB-CG 3.87Å; Y70-G72 PolarHBondContact O-N 3.36Å; Y70-Q73 PolarHBondContact N-O 3.38Å; Y70-Q73 WeakPolarHBondContact O-CB 3.45Å; Y70-Q73 PolarHBondContact O-N 3.49Å; Y70-Y75 VanDerWaalsContact CB-CE2 3.46Å; Y70-Y75 HydrophobicContact CD1-CE2 4.45Å; Y70-Y75 HydrophobicContact CG-CE2 4.29Å
71E63.1Low81.4Confident94 Ų9468.9 Ų68.944%0.43938%0.384SS..THydrogen-bonded Turntrans48.231.8-172.8-60.2-169.4124.500114.9F10 Q73F10-E71 WeakPolarHBondContact CD2-OE1 3.21Å; F10-E71 WeakPolarHBondContact CE2-OE1 3.17Å; E71-Q73 PolarHBondContact O-N 3.35Å
72G58.8Low81.4Confident75 Ų7563.7 Ų63.777%0.77336%0.362SS*.THydrogen-bonded Turntrans70.76.6-17600000115.2Y70Y70-G72 PolarHBondContact O-N 3.36Å
73Q61.7Low81.3Confident76 Ų7663.5 Ų63.536%0.35536%0.361SS..EExtended strand (participates in β ladder)trans-89.7135.1163.2-72.1165.581.700108.8S69 Y70 E71S69-Q73 CarbonylContact C-O 3.33Å; S69-Q73 WeakPolarHBondContact CA-O 3.35Å; S69-Q73 WeakPolarHBondContact CB-O 3.44Å; Y70-Q73 PolarHBondContact N-O 3.38Å; Y70-Q73 WeakPolarHBondContact O-CB 3.45Å; Y70-Q73 PolarHBondContact O-N 3.49Å; E71-Q73 PolarHBondContact O-N 3.35Å
74M69.5Low81.3Confident131 Ų13162.5 Ų62.565%0.64536%0.356SS*.EExtended strand (participates in β ladder)trans-75.6141.8168-61-64.917300108.8L102M74-L102 HydrophobicContact CB-CD1 3.87Å; M74-L102 WeakPolarHBondContact O-CD1 3.31Å
75Y79.6Confident81.5Confident27 Ų2760.6 Ų60.611%0.10635%0.347CS..  trans-107.5166168.2-69.7-30000110.8P67 S68 Y70 P77 C100 L101P67-Y75 HydrophobicContact CG-CD2 3.94Å; P67-Y75 HydrophobicContact CG-CE2 4.19Å; P67-Y75 WeakPolarHBondContact O-CB 3.42Å; P67-Y75 WeakPolarHBondContact O-CD2 3.22Å; S68-Y75 PolarHBondContact O-N 2.83Å; Y70-Y75 VanDerWaalsContact CB-CE2 3.46Å; Y70-Y75 HydrophobicContact CD1-CE2 4.45Å; Y70-Y75 HydrophobicContact CG-CE2 4.29Å; Y75-P77 VanDerWaalsContact O-CD 3.24Å; Y75-P77 WeakPolarHBondContact O-CD 3.32Å; Y75-C100 VanDerWaalsContact CA-O 3.27Å; Y75-C100 WeakPolarHBondContact CA-O 3.47Å; Y75-C100 WeakPolarHBondContact CB-O 3.4Å; Y75-C100 HydrophobicContact CD1-CB 4.3Å; Y75-C100 WeakPolarHBondContact CD1-O 3.34Å; Y75-C100 HydrophobicContact CD2-CB 4.03Å; Y75-C100 HydrophobicContact CG-CB 3.9Å; Y75-L101 HydrophobicContact CD1-CD2 4.5Å; Y75-L101 HydrophobicContact CE1-CD2 3.85Å
76N81.6Confident81.6Confident41 Ų4159.9 Ų59.922%0.21934%0.338CS..  trans-72.4112.3175.4-170.6-2.4000109.5C66 N78 E79 C100 L102C66-N76 WeakPolarHBondContact CB-O 3.5Å; N76-N78 PolarHBondContact O-N 2.93Å; N76-N78 WeakPolarHBondContact OD1-CB 3.49Å; N76-N78 PolarHBondContact OD1-N 3.42Å; N76-E79 HydrophobicContact CB-CB 4.23Å; N76-E79 HydrophobicContact CB-CG 4.07Å; N76-E79 WeakPolarHBondContact ND2-CG 3.49Å; N76-E79 PolarHBondContact O-N 3.44Å; N76-C100 PolarHBondContact N-O 2.77Å; N76-L102 HydrophobicContact CB-CD2 3.79Å; N76-L102 HydrophobicContact CB-CG 4.4Å
77P82.1Confident81.8Confident88 Ų8867.6 Ų67.657%0.57137%0.373SS*.THydrogen-bonded Turntrans-71.3-11.9-178.931.8-36.9000113.1Y75 E79Y75-P77 VanDerWaalsContact O-CD 3.24Å; Y75-P77 WeakPolarHBondContact O-CD 3.32Å; P77-E79 VanDerWaalsContact C-N 3.34Å
78N83.8Confident82.1Confident143 Ų14370.6 Ų70.677%0.76539%0.387SS*.THydrogen-bonded Turntrans-89.7-0.1-179.1-59.3-17.7000113.1N76N76-N78 PolarHBondContact O-N 2.93Å; N76-N78 WeakPolarHBondContact OD1-CB 3.49Å; N76-N78 PolarHBondContact OD1-N 3.42Å
79E88.1Confident82.6Confident86 Ų8666.6 Ų66.640%0.40236%0.36SS..SBendtrans-114.3163.9-176.1-73-74.9-179.200111.2C66 N76 P77 P99C66-E79 PolarHBondContact N-O 2.92Å; C66-E79 PolarHBondContact SG-O 3.03Å; N76-E79 HydrophobicContact CB-CB 4.23Å; N76-E79 HydrophobicContact CB-CG 4.07Å; N76-E79 WeakPolarHBondContact ND2-CG 3.49Å; N76-E79 PolarHBondContact O-N 3.44Å; P77-E79 VanDerWaalsContact C-N 3.34Å; E79-P99 HydrophobicContact CB-CB 3.98Å; E79-P99 WeakPolarHBondContact CB-O 3.49Å; E79-P99 HydrophobicContact CG-CB 4.28Å; E79-P99 WeakPolarHBondContact CG-O 3.45Å; E79-P99 WeakPolarHBondContact OE2-CB 3.35Å
80N91.1Very high83.5Confident67 Ų6768.4 Ų68.436%0.35837%0.365SS..EExtended strand (participates in β ladder)trans-116.5134.2179.2-70.5-19.3000112.3Q63 M64 P65Q63-N80 HydrophobicContact CB-CB 4.28Å; Q63-N80 PolarHBondContact OE1-ND2 2.8Å; M64-N80 CarbonylContact O-C 3.52Å; M64-N80 VanDerWaalsContact O-CA 3.29Å; M64-N80 WeakPolarHBondContact O-CA 3.29Å; P65-N80 WeakPolarHBondContact CA-OD1 3.47Å
81A91.4Very high84.6Confident0 Ų067.6 Ų67.60%036%0.362CS..EExtended strand (participates in β ladder)trans-73.7156.9160.100000110.1W53 Q63 M64 N96 Y97W53-A81 HydrophobicContact CH2-CB 3.82Å; W53-A81 HydrophobicContact CZ2-CB 4.34Å; Q63-A81 CarbonylContact C-O 3.58Å; Q63-A81 VanDerWaalsContact CA-O 3.28Å; Q63-A81 WeakPolarHBondContact CA-O 3.38Å; M64-A81 PolarHBondContact N-O 3.31Å; M64-A81 PolarHBondContact O-N 2.69Å; A81-N96 WeakPolarHBondContact CA-O 3.46Å; A81-Y97 HydrophobicContact CB-CD1 3.48Å; A81-Y97 VanDerWaalsContact CB-CD1 3.48Å; A81-Y97 HydrophobicContact CB-CE1 3.48Å; A81-Y97 VanDerWaalsContact CB-CE1 3.48Å; A81-Y97 HydrophobicContact CB-CG 4.17Å
82S93.1Very high85.9Confident10 Ų1064 Ų647%0.0735%0.347CS..EExtended strand (participates in β ladder)trans-144.1150.1174.162.10000114.9K61 V62 N96K61-S82 WeakPolarHBondContact CE-OG 3.2Å; K61-S82 PolarHBondContact NZ-OG 3.47Å; V62-S82 VanDerWaalsContact O-CA 3.24Å; V62-S82 WeakPolarHBondContact O-CA 3.27Å; V62-S82 VanDerWaalsContact O-CB 3.28Å; V62-S82 WeakPolarHBondContact O-CB 3.43Å; S82-N96 PolarHBondContact N-O 2.94Å; S82-N96 PolarHBondContact O-N 3.3Å
83K93.2Very high87.3Confident9 Ų966.3 Ų66.34%0.03935%0.351CS..EExtended strand (participates in β ladder)trans-141.6154.5179-162.1175.5-176.658.90110.3W53 K61 V62 W91 S92 S95W53-K83 HydrophobicContact CB-CD 4.48Å; W53-K83 HydrophobicContact CD2-CB 3.7Å; W53-K83 HydrophobicContact CD2-CD 3.7Å; W53-K83 HydrophobicContact CD2-CG 4.37Å; W53-K83 HydrophobicContact CE3-CB 3.65Å; W53-K83 HydrophobicContact CE3-CD 4.47Å; W53-K83 HydrophobicContact CG-CB 4.44Å; W53-K83 HydrophobicContact CG-CD 3.64Å; W53-K83 HydrophobicContact CH2-CB 3.85Å; W53-K83 HydrophobicContact CZ2-CB 3.9Å; W53-K83 HydrophobicContact CZ2-CD 4.4Å; W53-K83 HydrophobicContact CZ3-CB 3.72Å; K61-K83 WeakPolarHBondContact CA-O 3.38Å; K61-K83 WeakPolarHBondContact CG-O 3.38Å; V62-K83 HydrophobicContact CG1-CB 4.07Å; V62-K83 WeakPolarHBondContact CG1-O 3.38Å; V62-K83 PolarHBondContact N-O 3.49Å; V62-K83 PolarHBondContact O-N 2.9Å; K83-W91 HydrophobicContact CB-CE3 4.42Å; K83-W91 HydrophobicContact CB-CZ3 4.27Å; K83-W91 HydrophobicContact CD-CD2 4.16Å; K83-W91 HydrophobicContact CD-CE3 3.77Å; K83-W91 HydrophobicContact CD-CZ3 4.23Å; K83-W91 HydrophobicContact CG-CE3 3.76Å; K83-W91 HydrophobicContact CG-CZ3 4.11Å; K83-S92 PolarHBondContact NZ-O 3.44Å; K83-S95 WeakPolarHBondContact CD-OG 3.27Å; K83-S95 PolarHBondContact NZ-OG 3.19Å
84E93.2Very high88.4Confident99 Ų9970.9 Ų70.946%0.46337%0.37SS..EExtended strand (participates in β ladder)trans-121.8132.8-170.7-177.7174-167.900110.2S92E84-S92 PolarHBondContact N-OG 3.14Å; E84-S92 WeakPolarHBondContact O-CB 3.45Å; E84-S92 PolarHBondContact O-N 3Å; E84-S92 PolarHBondContact O-OG 3.01Å
85C94.9Very high89.3Confident0 Ų066 Ų660%035%0.349CS..BIsolated β-bridgetrans-95.2116.6172.4-177.30000108.4C43 I56 G59 T60 W91C43-C85 HydrophobicContact CB-CB 3.88Å; C43-C85 WeakPolarHBondContact CB-SG 3.46Å; C43-C85 PolarHBondContact N-SG 3.16Å; C43-C85 VanDerWaalsContact N-SG 3.4Å; C43-C85 WeakPolarHBondContact SG-CA 3.38Å; C43-C85 WeakPolarHBondContact SG-CB 2.89Å; C43-C85 CovalentContact SG-SG 2.02Å; C43-C85 PolarHBondContact SG-SG 3.46Å; I56-C85 HydrophobicContact CG2-CB 3.64Å; G59-C85 VanDerWaalsContact CA-O 3.29Å; G59-C85 WeakPolarHBondContact CA-O 3.26Å; G59-C85 PolarHBondContact N-O 3.16Å; T60-C85 PolarHBondContact N-O 2.94Å; T60-C85 PolarHBondContact O-N 3.34Å; C85-W91 HydrophobicContact CB-CE3 4.3Å; C85-W91 HydrophobicContact CB-CZ3 4.15Å
86L93.3Very high89.8Confident70 Ų7067.7 Ų67.737%0.36636%0.359SS..  trans-69.7158.9-178.8-58.8172.1000110.6A58 N88 G89 N90A58-L86 WeakPolarHBondContact CB-O 3.36Å; L86-N88 WeakPolarHBondContact CB-OD1 3.15Å; L86-N88 PolarHBondContact O-N 3.03Å; L86-G89 PolarHBondContact O-N 3.45Å; L86-N90 VanDerWaalsContact CB-O 3.28Å; L86-N90 WeakPolarHBondContact CB-O 3.47Å; L86-N90 WeakPolarHBondContact CG-O 3.35Å; L86-N90 PolarHBondContact N-O 3.4Å
87E92.9Very high90Very high171 Ų17167.5 Ų67.580%0.79936%0.356SS*.THydrogen-bonded Turntrans-58.7-19.3179.8-63.5-17616400113.9G89E87-G89 VanDerWaalsContact C-N 3.31Å
88N92.5Very high90.2Very high95 Ų9569.2 Ų69.251%0.50836%0.359SS..THydrogen-bonded Turntrans-867.3176.3690.5000114.3L86 N90L86-N88 WeakPolarHBondContact CB-OD1 3.15Å; L86-N88 PolarHBondContact O-N 3.03Å; N88-N90 VanDerWaalsContact C-N 3.3Å; N88-N90 PolarHBondContact O-N 2.88Å; N88-N90 WeakPolarHBondContact OD1-CB 3.1Å; N88-N90 PolarHBondContact OD1-N 3.43Å
89G89Confident90.2Very high6 Ų664.8 Ų64.86%0.06234%0.338CS..SBendtrans77.68.5-179.500000115C43 L86 E87C43-G89 WeakPolarHBondContact CA-O 3.44Å; C43-G89 PolarHBondContact SG-O 3.36Å; C43-G89 VanDerWaalsContact SG-O 3.33Å; L86-G89 PolarHBondContact O-N 3.45Å; E87-G89 VanDerWaalsContact C-N 3.31Å
90N92.4Very high90.1Very high98 Ų9860.7 Ų60.752%0.52432%0.319SS..PPolyproline II helixtrans-104146.7175.2-66.7-48.6000111.9L86 N88L86-N90 VanDerWaalsContact CB-O 3.28Å; L86-N90 WeakPolarHBondContact CB-O 3.47Å; L86-N90 WeakPolarHBondContact CG-O 3.35Å; L86-N90 PolarHBondContact N-O 3.4Å; N88-N90 VanDerWaalsContact C-N 3.3Å; N88-N90 PolarHBondContact O-N 2.88Å; N88-N90 WeakPolarHBondContact OD1-CB 3.1Å; N88-N90 PolarHBondContact OD1-N 3.43Å
91W91.8Very high89.5Confident34 Ų3461.9 Ų61.913%0.12933%0.325CS..BIsolated β-bridgetrans-65.5146.3174.1-75.1112.9000113C43 P44 Y46 W53 P54 I56 V62 K83 C85C43-W91 HydrophobicContact CB-CD2 3.85Å; C43-W91 VanDerWaalsContact CB-CE2 3.47Å; C43-W91 HydrophobicContact CB-CE3 4.36Å; C43-W91 HydrophobicContact CB-CG 4.27Å; C43-W91 HydrophobicContact CB-CH2 4.26Å; C43-W91 HydrophobicContact CB-CZ2 3.71Å; P44-W91 PolarHBondContact O-NE1 3.5Å; Y46-W91 VanDerWaalsContact CB-NE1 3.29Å; Y46-W91 AromaticContact CG-CD1 3.89Å; W53-W91 HydrophobicContact CB-CH2 4.1Å; W53-W91 HydrophobicContact CB-CZ2 3.97Å; P54-W91 WeakPolarHBondContact O-CH2 3.49Å; P54-W91 WeakPolarHBondContact O-CZ2 3.31Å; I56-W91 HydrophobicContact CG2-CH2 3.67Å; I56-W91 HydrophobicContact CG2-CZ3 4.05Å; V62-W91 HydrophobicContact CG1-CH2 3.85Å; V62-W91 HydrophobicContact CG1-CZ3 3.8Å; K83-W91 HydrophobicContact CB-CE3 4.42Å; K83-W91 HydrophobicContact CB-CZ3 4.27Å; K83-W91 HydrophobicContact CD-CD2 4.16Å; K83-W91 HydrophobicContact CD-CE3 3.77Å; K83-W91 HydrophobicContact CD-CZ3 4.23Å; K83-W91 HydrophobicContact CG-CE3 3.76Å; K83-W91 HydrophobicContact CG-CZ3 4.11Å; C85-W91 HydrophobicContact CB-CE3 4.3Å; C85-W91 HydrophobicContact CB-CZ3 4.15Å
92S91.2Very high88.4Confident19 Ų1966 Ų6613%0.13335%0.346CS..PPolyproline II helixtrans-62141.6167.9730000111.3K83 E84 K94K83-S92 PolarHBondContact NZ-O 3.44Å; E84-S92 PolarHBondContact N-OG 3.14Å; E84-S92 WeakPolarHBondContact O-CB 3.45Å; E84-S92 PolarHBondContact O-N 3Å; E84-S92 PolarHBondContact O-OG 3.01Å; S92-K94 PolarHBondContact O-N 2.94Å; S92-K94 VanDerWaalsContact O-N 3.07Å; S92-K94 PolarHBondContact OG-O 3.19Å
93S87.3Confident86.7Confident122 Ų12272 Ų7285%0.85338%0.383SS*.SBendtrans-64.3-15.5-171.959.20000114.8
94K83.8Confident84.8Confident173 Ų17377.8 Ų77.875%0.75240%0.404SS*.SBendtrans-137.3130.2178.5-65.8-176.5-179177.40110.9S92S92-K94 PolarHBondContact O-N 2.94Å; S92-K94 VanDerWaalsContact O-N 3.07Å; S92-K94 PolarHBondContact OG-O 3.19Å
95S89.6Confident82.8Confident29 Ų2978.3 Ų78.320%0.20341%0.41CS..  trans-81144.7167.1-47.20000109.8D48 K83D48-S95 WeakPolarHBondContact OD2-CB 3.41Å; D48-S95 PolarHBondContact OD2-OG 2.7Å; K83-S95 WeakPolarHBondContact CD-OG 3.27Å; K83-S95 PolarHBondContact NZ-OG 3.19Å
96N89.4Confident80.7Confident62 Ų6282.4 Ų82.433%0.33244%0.439SS..BIsolated β-bridgetrans-98.2100.4178.6-177.34.7000110.9A81 S82 I98A81-N96 WeakPolarHBondContact CA-O 3.46Å; S82-N96 PolarHBondContact N-O 2.94Å; S82-N96 PolarHBondContact O-N 3.3Å; N96-I98 VanDerWaalsContact OD1-CB 3.3Å; N96-I98 WeakPolarHBondContact OD1-CB 3.26Å; N96-I98 VanDerWaalsContact OD1-CG1 3.29Å; N96-I98 WeakPolarHBondContact OD1-CG1 3.37Å; N96-I98 PolarHBondContact OD1-N 2.92Å
97Y87.1Confident78.9Confident36 Ų3682.7 Ų82.714%0.14145%0.447CS..  trans-101.112.1172.4-70.4-89.6000113.1D48 A50 T51 W53 A81 P99 C100 L101D48-Y97 VanDerWaalsContact CG-OH 3.25Å; D48-Y97 PolarHBondContact OD1-OH 3.27Å; D48-Y97 WeakPolarHBondContact OD2-CE2 2.94Å; D48-Y97 PolarHBondContact OD2-OH 2.94Å; A50-Y97 HydrophobicContact CB-CE1 4.23Å; T51-Y97 WeakPolarHBondContact CB-OH 3.13Å; T51-Y97 PolarHBondContact N-OH 2.99Å; T51-Y97 WeakPolarHBondContact OG1-CE1 3.25Å; T51-Y97 PolarHBondContact OG1-OH 3.47Å; W53-Y97 HydrophobicContact CZ2-CE2 4.38Å; A81-Y97 HydrophobicContact CB-CD1 3.48Å; A81-Y97 VanDerWaalsContact CB-CD1 3.48Å; A81-Y97 HydrophobicContact CB-CE1 3.48Å; A81-Y97 VanDerWaalsContact CB-CE1 3.48Å; A81-Y97 HydrophobicContact CB-CG 4.17Å; Y97-P99 VanDerWaalsContact C-CD 3.46Å; Y97-P99 VanDerWaalsContact C-N 3.32Å; Y97-C100 HydrophobicContact CD1-CB 4.36Å; Y97-C100 VanDerWaalsContact O-CB 3.3Å; Y97-C100 WeakPolarHBondContact O-CB 3.3Å; Y97-C100 PolarHBondContact O-N 3.38Å; Y97-L101 PolarHBondContact O-N 2.84Å
98I84.9Confident77.2Confident125 Ų12577.6 Ų77.664%0.64143%0.427SS*.G310 helixtrans-55-41.6-177.7-62.8170.2000112.2N96 C100 L101N96-I98 VanDerWaalsContact OD1-CB 3.3Å; N96-I98 WeakPolarHBondContact OD1-CB 3.26Å; N96-I98 VanDerWaalsContact OD1-CG1 3.29Å; N96-I98 WeakPolarHBondContact OD1-CG1 3.37Å; N96-I98 PolarHBondContact OD1-N 2.92Å; I98-C100 VanDerWaalsContact C-N 3.3Å; I98-C100 PolarHBondContact O-N 2.86Å; I98-L101 PolarHBondContact O-N 3.14Å
99P84.8Confident75.6Confident49 Ų4977.6 Ų77.632%0.31843%0.427SS..G310 helixtrans-64.5-30.2175.4-22.335.2000114.1E79 Y97 L101E79-P99 HydrophobicContact CB-CB 3.98Å; E79-P99 WeakPolarHBondContact CB-O 3.49Å; E79-P99 HydrophobicContact CG-CB 4.28Å; E79-P99 WeakPolarHBondContact CG-O 3.45Å; E79-P99 WeakPolarHBondContact OE2-CB 3.35Å; Y97-P99 VanDerWaalsContact C-CD 3.46Å; Y97-P99 VanDerWaalsContact C-N 3.32Å; P99-L101 VanDerWaalsContact C-N 3.26Å; P99-L101 PolarHBondContact O-N 3.43Å
100C85.3Confident74.8Confident0 Ų081.6 Ų81.60%045%0.447CS..G310 helixtrans-69.2-24.1-179.9-56.80000113.5C66 Y75 N76 Y97 I98 L102C66-C100 HydrophobicContact CB-CB 3.63Å; C66-C100 WeakPolarHBondContact CB-SG 3.44Å; C66-C100 WeakPolarHBondContact SG-CA 3.36Å; C66-C100 WeakPolarHBondContact SG-CB 3.19Å; C66-C100 CovalentContact SG-SG 2.02Å; C66-C100 PolarHBondContact SG-SG 3.3Å; Y75-C100 VanDerWaalsContact CA-O 3.27Å; Y75-C100 WeakPolarHBondContact CA-O 3.47Å; Y75-C100 WeakPolarHBondContact CB-O 3.4Å; Y75-C100 HydrophobicContact CD1-CB 4.3Å; Y75-C100 WeakPolarHBondContact CD1-O 3.34Å; Y75-C100 HydrophobicContact CD2-CB 4.03Å; Y75-C100 HydrophobicContact CG-CB 3.9Å; N76-C100 PolarHBondContact N-O 2.77Å; Y97-C100 HydrophobicContact CD1-CB 4.36Å; Y97-C100 VanDerWaalsContact O-CB 3.3Å; Y97-C100 WeakPolarHBondContact O-CB 3.3Å; Y97-C100 PolarHBondContact O-N 3.38Å; I98-C100 VanDerWaalsContact C-N 3.3Å; I98-C100 PolarHBondContact O-N 2.86Å; C100-L102 PolarHBondContact O-N 2.93Å
101L77.7Confident74.2Confident92 Ų9279 Ų7948%0.48243%0.433SS..SBendtrans-68.5101.4-179.3-61177000109.4Y75 Y97 I98 P99 T103Y75-L101 HydrophobicContact CD1-CD2 4.5Å; Y75-L101 HydrophobicContact CE1-CD2 3.85Å; Y97-L101 PolarHBondContact O-N 2.84Å; I98-L101 PolarHBondContact O-N 3.14Å; P99-L101 VanDerWaalsContact C-N 3.26Å; P99-L101 PolarHBondContact O-N 3.43Å; L101-T103 PolarHBondContact O-N 2.94Å; L101-T103 VanDerWaalsContact O-N 3.13Å
102L68.5Low73.5Confident86 Ų8678.9 Ų78.945%0.4544%0.436SS..  trans-47.3124.9159.2-70.5175.4000107.3M74 N76 C100 R104M74-L102 HydrophobicContact CB-CD1 3.87Å; M74-L102 WeakPolarHBondContact O-CD1 3.31Å; N76-L102 HydrophobicContact CB-CD2 3.79Å; N76-L102 HydrophobicContact CB-CG 4.4Å; C100-L102 PolarHBondContact O-N 2.93Å; L102-R104 PolarHBondContact O-N 3.27Å
103T58.6Low73.1Confident138 Ų13883.9 Ų83.985%0.84746%0.459SS*.  trans-50.9107.3-176.6230000108.7L101 D105L101-T103 PolarHBondContact O-N 2.94Å; L101-T103 VanDerWaalsContact O-N 3.13Å; T103-D105 PolarHBondContact O-N 3.43Å
104R52.6Low73.2Confident129 Ų12981.3 Ų81.349%0.48744%0.438SS..  trans-58.5107.6-166.9176.6-175.1174.7136.96.4109.2L102 S106L102-R104 PolarHBondContact O-N 3.27Å; R104-S106 PolarHBondContact O-N 3.43Å
105D50.9Low73.3Confident110 Ų11074.4 Ų74.459%0.58841%0.409SS*.  trans-45.2111.4-179.6-108.5-27.5000110.4T103 S107 T108T103-D105 PolarHBondContact O-N 3.43Å; D105-S107 PolarHBondContact O-N 3.05Å; D105-S107 VanDerWaalsContact O-N 3.14Å; D105-T108 HydrophobicContact CB-CG2 4Å; D105-T108 PolarHBondContact O-N 2.97Å; D105-T108 PolarHBondContact O-OG1 3.37Å
106S50.4Low73.3Confident87 Ų8775 Ų7561%0.60841%0.407SS*.Hα-helixtrans-49.1-42.2179.2-42.40000110.4R104 T108 L109 D110R104-S106 PolarHBondContact O-N 3.43Å; S106-T108 PolarHBondContact O-N 3.41Å; S106-L109 PolarHBondContact O-N 2.83Å; S106-D110 PolarHBondContact O-N 2.85Å
107S57.1Low73.3Confident76 Ų7675.1 Ų75.153%0.53141%0.411SS..Hα-helixtrans-40.3-39.7171.3-40.90000114.6D105 L111D105-S107 PolarHBondContact O-N 3.05Å; D105-S107 VanDerWaalsContact O-N 3.14Å; S107-L111 WeakPolarHBondContact O-CB 3.49Å; S107-L111 PolarHBondContact O-N 2.88Å; S107-L111 VanDerWaalsContact O-N 3.09Å
108T57.3Low73.6Confident63 Ų6375 Ų7539%0.38741%0.413SS..Hα-helixtrans-75.6-39-177.763.40000112.5D105 S106 T112D105-T108 HydrophobicContact CB-CG2 4Å; D105-T108 PolarHBondContact O-N 2.97Å; D105-T108 PolarHBondContact O-OG1 3.37Å; S106-T108 PolarHBondContact O-N 3.41Å; T108-T112 WeakPolarHBondContact O-CG2 3.34Å; T108-T112 PolarHBondContact O-N 2.93Å
109L57.5Low73.9Confident95 Ų9571.1 Ų71.150%0.49739%0.392SS..Hα-helixtrans-69.9-45.8178-174.261.3000109.6S106 L111 T112 M113S106-L109 PolarHBondContact O-N 2.83Å; L109-L111 PolarHBondContact O-N 3.26Å; L109-T112 PolarHBondContact O-N 3.02Å; L109-T112 PolarHBondContact O-OG1 2.9Å; L109-M113 PolarHBondContact O-N 2.85Å
110D73.7Confident74.3Confident90 Ų9071.4 Ų71.448%0.48139%0.39SS..Hα-helixtrans-57.3-48.2177.7-65.9-25.9000111.8S106 T112 M113 V114S106-D110 PolarHBondContact O-N 2.85Å; D110-T112 VanDerWaalsContact C-N 3.34Å; D110-T112 PolarHBondContact O-N 3.28Å; D110-M113 PolarHBondContact O-N 3.14Å; D110-M113 VanDerWaalsContact O-N 3.15Å; D110-V114 WeakPolarHBondContact O-CB 3.49Å; D110-V114 WeakPolarHBondContact O-CG2 3.32Å; D110-V114 PolarHBondContact O-N 2.66Å
111L78.9Confident74.7Confident43 Ų4375.8 Ų75.823%0.22542%0.417CS..Hα-helixtrans-58.7-44.1177-17964.6000111.9S107 L109 M113 V114 L115 P665 I669S107-L111 WeakPolarHBondContact O-CB 3.49Å; S107-L111 PolarHBondContact O-N 2.88Å; S107-L111 VanDerWaalsContact O-N 3.09Å; L109-L111 PolarHBondContact O-N 3.26Å; L111-M113 VanDerWaalsContact C-N 3.29Å; L111-M113 PolarHBondContact O-N 2.77Å; L111-V114 PolarHBondContact O-N 3.08Å; L111-L115 HydrophobicContact CD1-CD1 4.14Å; L111-L115 HydrophobicContact CD1-CG 4.11Å; L111-L115 HydrophobicContact CG-CD1 3.93Å; L111-L115 HydrophobicContact CG-CG 4.33Å; L111-L115 WeakPolarHBondContact O-CB 3.49Å; L111-L115 VanDerWaalsContact O-CG 3.25Å; L111-L115 WeakPolarHBondContact O-CG 3.28Å; L111-L115 PolarHBondContact O-N 3.15Å; L111-P665 HydrophobicContact CD1-CB 4.31Å; L111-P665 HydrophobicContact CD2-CB 3.77Å; L111-I669 HydrophobicContact CD1-CD1 3.81Å; L111-I669 HydrophobicContact CD1-CG1 3.87Å
112T76Confident75.5Confident32 Ų3271.7 Ų71.720%0.19640%0.397CS..Hα-helixtrans-65.1-34.1178.967.20000112.5T108 L109 D110 R116T108-T112 WeakPolarHBondContact O-CG2 3.34Å; T108-T112 PolarHBondContact O-N 2.93Å; L109-T112 PolarHBondContact O-N 3.02Å; L109-T112 PolarHBondContact O-OG1 2.9Å; D110-T112 VanDerWaalsContact C-N 3.34Å; D110-T112 PolarHBondContact O-N 3.28Å; T112-R116 VanDerWaalsContact O-CD 3.29Å; T112-R116 WeakPolarHBondContact O-CD 3.48Å; T112-R116 WeakPolarHBondContact O-CG 3.15Å; T112-R116 PolarHBondContact O-N 3.43Å
113M84.4Confident76.8Confident125 Ų12568.1 Ų68.162%0.61638%0.377SS*.Hα-helixtrans-69.6-47.5175.2-176172.1173.500111.2L109 D110 L111 L115 R116 C117L109-M113 PolarHBondContact O-N 2.85Å; D110-M113 PolarHBondContact O-N 3.14Å; D110-M113 VanDerWaalsContact O-N 3.15Å; L111-M113 VanDerWaalsContact C-N 3.29Å; L111-M113 PolarHBondContact O-N 2.77Å; M113-L115 PolarHBondContact O-N 3.49Å; M113-R116 PolarHBondContact O-N 3.19Å; M113-C117 PolarHBondContact O-N 3.24Å; M113-C117 PolarHBondContact O-SG 3.37Å; M113-C117 VanDerWaalsContact O-SG 3.39Å
114V88Confident78.5Confident67 Ų6764.6 Ų64.641%0.40636%0.358SS..Hα-helixtrans-56.3-48.2176.5168.30000111.3D110 L111 R116 C117 I118D110-V114 WeakPolarHBondContact O-CB 3.49Å; D110-V114 WeakPolarHBondContact O-CG2 3.32Å; D110-V114 PolarHBondContact O-N 2.66Å; L111-V114 PolarHBondContact O-N 3.08Å; V114-R116 PolarHBondContact O-N 2.81Å; V114-C117 PolarHBondContact O-N 3.31Å; V114-I118 HydrophobicContact CG1-CD1 3.73Å; V114-I118 HydrophobicContact CG1-CG1 4.48Å; V114-I118 VanDerWaalsContact O-CG1 3.31Å; V114-I118 WeakPolarHBondContact O-CG1 3.47Å; V114-I118 PolarHBondContact O-N 2.87Å
115L87.3Confident80.6Confident29 Ų2963.1 Ų63.115%0.15236%0.36CS..Hα-helixtrans-60.6-43.3178.4-69.5171.7000112.2L111 M113 C117 I118 F119 D668 I669 A672L111-L115 HydrophobicContact CD1-CD1 4.14Å; L111-L115 HydrophobicContact CD1-CG 4.11Å; L111-L115 HydrophobicContact CG-CD1 3.93Å; L111-L115 HydrophobicContact CG-CG 4.33Å; L111-L115 WeakPolarHBondContact O-CB 3.49Å; L111-L115 VanDerWaalsContact O-CG 3.25Å; L111-L115 WeakPolarHBondContact O-CG 3.28Å; L111-L115 PolarHBondContact O-N 3.15Å; M113-L115 PolarHBondContact O-N 3.49Å; L115-C117 PolarHBondContact O-N 3.23Å; L115-I118 PolarHBondContact O-N 3.16Å; L115-F119 WeakPolarHBondContact O-CD2 3.47Å; L115-F119 PolarHBondContact O-N 3.39Å; L115-D668 HydrophobicContact CD1-CB 4.15Å; L115-D668 HydrophobicContact CD2-CB 4.12Å; L115-D668 WeakPolarHBondContact CD2-O 3.48Å; L115-I669 HydrophobicContact CD2-CG1 3.97Å; L115-A672 HydrophobicContact CD2-CB 3.75Å
116R88.1Confident82.7Confident42 Ų4258 Ų5816%0.15833%0.332CS..Hα-helixtrans-60.7-45.2176.1-69.3163.9-171.9-159.14111.8T112 M113 V114 I118 F119 L120 Y169 E173T112-R116 VanDerWaalsContact O-CD 3.29Å; T112-R116 WeakPolarHBondContact O-CD 3.48Å; T112-R116 WeakPolarHBondContact O-CG 3.15Å; T112-R116 PolarHBondContact O-N 3.43Å; M113-R116 PolarHBondContact O-N 3.19Å; V114-R116 PolarHBondContact O-N 2.81Å; R116-I118 PolarHBondContact O-N 2.98Å; R116-F119 PolarHBondContact O-N 3.47Å; R116-L120 WeakPolarHBondContact O-CB 3.38Å; R116-L120 PolarHBondContact O-N 3.44Å; R116-Y169 HydrophobicContact CB-CE2 3.77Å; R116-Y169 HydrophobicContact CG-CD2 4.46Å; R116-Y169 HydrophobicContact CG-CE2 3.68Å; R116-E173 IonicContact CZ-OE1 2.66Å; R116-E173 IonicContact CZ-OE2 2.77Å; R116-E173 IonicContact NH1-OE1 3.01Å; R116-E173 PolarHBondContact NH1-OE1 3.02Å; R116-E173 IonicContact NH1-OE2 2.65Å; R116-E173 PolarHBondContact NH1-OE2 3.15Å
117C90.4Very high84.9Confident63 Ų6355.2 Ų55.243%0.42631%0.312SS..Hα-helixtrans-60.6-43.8176.7-69.10000111.8M113 V114 L115 T121M113-C117 PolarHBondContact O-N 3.24Å; M113-C117 PolarHBondContact O-SG 3.37Å; M113-C117 VanDerWaalsContact O-SG 3.39Å; V114-C117 PolarHBondContact O-N 3.31Å; L115-C117 PolarHBondContact O-N 3.23Å; C117-T121 WeakPolarHBondContact O-CB 3.35Å; C117-T121 WeakPolarHBondContact O-CG2 3.31Å; C117-T121 PolarHBondContact O-N 3.08Å; C117-T121 PolarHBondContact O-OG1 3.25Å
118I92.4Very high86.8Confident35 Ų3554.4 Ų54.418%0.17931%0.311CS..Hα-helixtrans-62.4-45177.4-68.1165.4000111.6V114 L115 R116 T121 G122 I669 A672 F673 S676V114-I118 HydrophobicContact CG1-CD1 3.73Å; V114-I118 HydrophobicContact CG1-CG1 4.48Å; V114-I118 VanDerWaalsContact O-CG1 3.31Å; V114-I118 WeakPolarHBondContact O-CG1 3.47Å; V114-I118 PolarHBondContact O-N 2.87Å; L115-I118 PolarHBondContact O-N 3.16Å; R116-I118 PolarHBondContact O-N 2.98Å; I118-T121 PolarHBondContact O-OG1 3.05Å; I118-G122 PolarHBondContact O-N 3.04Å; I118-G122 VanDerWaalsContact O-N 3.09Å; I118-I669 HydrophobicContact CD1-CG2 4.06Å; I118-A672 HydrophobicContact CB-CB 4.37Å; I118-A672 HydrophobicContact CG2-CB 3.8Å; I118-F673 HydrophobicContact CG2-CB 4.17Å; I118-S676 PolarHBondContact O-OG 2.74Å; I118-S676 VanDerWaalsContact O-OG 3.1Å
119F92.8Very high88.6Confident43 Ų4352.8 Ų52.819%0.18930%0.301CS..Hα-helixtrans-67.7-48.7178.7-79.7-66.2000112.1L115 R116 G122 Y123 W165 A672 T675L115-F119 WeakPolarHBondContact O-CD2 3.47Å; L115-F119 PolarHBondContact O-N 3.39Å; R116-F119 PolarHBondContact O-N 3.47Å; F119-G122 PolarHBondContact O-N 3.4Å; F119-Y123 HydrophobicContact CB-CD2 4.21Å; F119-Y123 HydrophobicContact CB-CE2 4.32Å; F119-Y123 HydrophobicContact CD1-CD2 4.22Å; F119-Y123 AromaticContact CD1-CE2 3.6Å; F119-Y123 HydrophobicContact CD1-CE2 3.6Å; F119-Y123 HydrophobicContact CE1-CE2 4.35Å; F119-Y123 HydrophobicContact CG-CE2 4.37Å; F119-Y123 WeakPolarHBondContact O-CB 3.37Å; F119-Y123 VanDerWaalsContact O-CD2 3.25Å; F119-Y123 WeakPolarHBondContact O-CD2 3.34Å; F119-Y123 PolarHBondContact O-N 2.94Å; F119-W165 HydrophobicContact CB-CE3 4.36Å; F119-W165 HydrophobicContact CB-CH2 3.23Å; F119-W165 HydrophobicContact CB-CZ2 3.35Å; F119-W165 HydrophobicContact CB-CZ3 3.76Å; F119-W165 HydrophobicContact CD2-CZ2 4.03Å; F119-W165 HydrophobicContact CG-CH2 4.17Å; F119-W165 AromaticContact CG-CZ2 3.77Å; F119-W165 HydrophobicContact CG-CZ2 3.77Å; F119-A672 HydrophobicContact CD1-CB 4.45Å; F119-A672 HydrophobicContact CD2-CB 3.96Å; F119-A672 HydrophobicContact CE1-CB 4.07Å; F119-A672 HydrophobicContact CE2-CB 3.52Å; F119-A672 HydrophobicContact CG-CB 4.4Å; F119-A672 VanDerWaalsContact CZ-CA 3.49Å; F119-A672 HydrophobicContact CZ-CB 3.59Å; F119-T675 HydrophobicContact CE1-CG2 4.29Å
120L92.4Very high90.4Very high55 Ų5548.3 Ų48.329%0.28828%0.278SS..Hα-helixtrans-61.4-48.6-177.8-179.665.6000112.1R116 S124 W165 Y169R116-L120 WeakPolarHBondContact O-CB 3.38Å; R116-L120 PolarHBondContact O-N 3.44Å; L120-S124 VanDerWaalsContact O-CB 3.26Å; L120-S124 WeakPolarHBondContact O-CB 3.38Å; L120-S124 PolarHBondContact O-N 2.86Å; L120-S124 PolarHBondContact O-OG 3.26Å; L120-W165 HydrophobicContact CB-CZ3 4.36Å; L120-Y169 HydrophobicContact CD1-CD1 4.01Å; L120-Y169 HydrophobicContact CD1-CE1 4.29Å; L120-Y169 HydrophobicContact CD2-CD1 4.44Å; L120-Y169 HydrophobicContact CD2-CE1 3.87Å; L120-Y169 HydrophobicContact CG-CE1 4.47Å
121T94.3Very high91.6Very high92 Ų9246.2 Ų46.256%0.56427%0.27SS*.Hα-helixtrans-66.6-44.7-179.955.50000111.5C117 I118 S124 L125C117-T121 WeakPolarHBondContact O-CB 3.35Å; C117-T121 WeakPolarHBondContact O-CG2 3.31Å; C117-T121 PolarHBondContact O-N 3.08Å; C117-T121 PolarHBondContact O-OG1 3.25Å; I118-T121 PolarHBondContact O-OG1 3.05Å; T121-S124 PolarHBondContact O-N 3.49Å; T121-L125 WeakPolarHBondContact O-CB 3.46Å; T121-L125 PolarHBondContact O-N 3.27Å
122G94.8Very high92.4Very high5 Ų548.3 Ų48.35%0.05228%0.281CS..Hα-helixtrans-65.5-45.6179.500000113.3I118 F119 L125 S126 S676I118-G122 PolarHBondContact O-N 3.04Å; I118-G122 VanDerWaalsContact O-N 3.09Å; F119-G122 PolarHBondContact O-N 3.4Å; G122-L125 PolarHBondContact O-N 3.27Å; G122-S126 VanDerWaalsContact O-CB 3.29Å; G122-S126 WeakPolarHBondContact O-CB 3.49Å; G122-S126 PolarHBondContact O-N 2.93Å; G122-S126 PolarHBondContact O-OG 3.4Å; G122-S676 CarbonylContact C-O 3.6Å; G122-S676 WeakPolarHBondContact CA-OG 3.38Å; G122-S676 VanDerWaalsContact O-O 3.04Å
123Y95Very high93.2Very high11 Ų1146.8 Ų46.84%0.04327%0.272CS..Hα-helixtrans-67.3-37.1177.2-77.8-52000112.6F119 S126 C127 A162 W165 T675F119-Y123 HydrophobicContact CB-CD2 4.21Å; F119-Y123 HydrophobicContact CB-CE2 4.32Å; F119-Y123 HydrophobicContact CD1-CD2 4.22Å; F119-Y123 AromaticContact CD1-CE2 3.6Å; F119-Y123 HydrophobicContact CD1-CE2 3.6Å; F119-Y123 HydrophobicContact CE1-CE2 4.35Å; F119-Y123 HydrophobicContact CG-CE2 4.37Å; F119-Y123 WeakPolarHBondContact O-CB 3.37Å; F119-Y123 VanDerWaalsContact O-CD2 3.25Å; F119-Y123 WeakPolarHBondContact O-CD2 3.34Å; F119-Y123 PolarHBondContact O-N 2.94Å; Y123-S126 PolarHBondContact O-N 3.33Å; Y123-C127 VanDerWaalsContact O-CB 3.27Å; Y123-C127 WeakPolarHBondContact O-CB 3.37Å; Y123-C127 PolarHBondContact O-N 3.45Å; Y123-A162 HydrophobicContact CD1-CB 3.66Å; Y123-A162 HydrophobicContact CE1-CB 4.38Å; Y123-A162 HydrophobicContact CG-CB 4.21Å; Y123-W165 HydrophobicContact CD2-CB 4.27Å; Y123-W165 AromaticContact CD2-CD2 3.61Å; Y123-W165 HydrophobicContact CD2-CD2 3.61Å; Y123-W165 AromaticContact CD2-CE3 3.42Å; Y123-W165 HydrophobicContact CD2-CE3 3.42Å; Y123-W165 VanDerWaalsContact CD2-CE3 3.42Å; Y123-W165 AromaticContact CD2-CG 3.96Å; Y123-W165 HydrophobicContact CD2-CG 3.96Å; Y123-W165 HydrophobicContact CD2-CZ3 4.13Å; Y123-W165 HydrophobicContact CE2-CB 3.94Å; Y123-W165 AromaticContact CE2-CD1 3.94Å; Y123-W165 AromaticContact CE2-CD2 3.46Å; Y123-W165 HydrophobicContact CE2-CD2 3.46Å; Y123-W165 VanDerWaalsContact CE2-CD2 3.46Å; Y123-W165 AromaticContact CE2-CE3 3.82Å; Y123-W165 HydrophobicContact CE2-CE3 3.82Å; Y123-W165 AromaticContact CE2-CG 3.47Å; Y123-W165 HydrophobicContact CE2-CG 3.47Å; Y123-W165 VanDerWaalsContact CE2-CG 3.47Å; Y123-W165 HydrophobicContact CG-CE3 4.48Å; Y123-T675 WeakPolarHBondContact OH-CG2 3.35Å
124S94.9Very high93.7Very high64 Ų6442.6 Ų42.645%0.44825%0.251SS..Hα-helixtrans-61-46.8174.4-610000111.4L120 T121 C127 A128L120-S124 VanDerWaalsContact O-CB 3.26Å; L120-S124 WeakPolarHBondContact O-CB 3.38Å; L120-S124 PolarHBondContact O-N 2.86Å; L120-S124 PolarHBondContact O-OG 3.26Å; T121-S124 PolarHBondContact O-N 3.49Å; S124-C127 PolarHBondContact O-N 2.8Å; S124-A128 PolarHBondContact O-N 3.41Å
125L95.6Very high94Very high99 Ų9943.7 Ų43.752%0.51825%0.254SS..Hα-helixtrans-68-42.1178-176.857.9000112.1T121 G122 C127 A128 C129 I680T121-L125 WeakPolarHBondContact O-CB 3.46Å; T121-L125 PolarHBondContact O-N 3.27Å; G122-L125 PolarHBondContact O-N 3.27Å; L125-C127 PolarHBondContact O-N 2.77Å; L125-A128 PolarHBondContact O-N 3.32Å; L125-C129 PolarHBondContact O-N 3.4Å; L125-C129 PolarHBondContact O-SG 3.5Å; L125-I680 HydrophobicContact CB-CD1 4.07Å; L125-I680 HydrophobicContact CD2-CD1 3.56Å; L125-I680 HydrophobicContact CG-CD1 3.58Å; L125-I680 HydrophobicContact CG-CG1 4.16Å
126S95.4Very high94.3Very high2 Ų243.8 Ų43.81%0.01425%0.254CS..Hα-helixtrans-55.6-48.2171.6-81.60000111.5G122 Y123 C129 L130 S676 G679 I680G122-S126 VanDerWaalsContact O-CB 3.29Å; G122-S126 WeakPolarHBondContact O-CB 3.49Å; G122-S126 PolarHBondContact O-N 2.93Å; G122-S126 PolarHBondContact O-OG 3.4Å; Y123-S126 PolarHBondContact O-N 3.33Å; S126-C129 PolarHBondContact O-N 3.25Å; S126-L130 WeakPolarHBondContact O-CB 3.25Å; S126-L130 WeakPolarHBondContact O-CD1 3.49Å; S126-L130 WeakPolarHBondContact O-CG 3.3Å; S126-L130 PolarHBondContact O-N 2.94Å; S126-S676 PolarHBondContact OG-O 3.48Å; S126-G679 PolarHBondContact OG-N 2.94Å; S126-I680 PolarHBondContact OG-N 2.59Å
127C96.2Very high94.5Very high28 Ų2842.1 Ų42.119%0.18925%0.248CC..Hα-helixtrans-60.8-46.5179.1-171.70000111.6Y123 S124 L125 C129 L130 C131Y123-C127 VanDerWaalsContact O-CB 3.27Å; Y123-C127 WeakPolarHBondContact O-CB 3.37Å; Y123-C127 PolarHBondContact O-N 3.45Å; S124-C127 PolarHBondContact O-N 2.8Å; L125-C127 PolarHBondContact O-N 2.77Å; C127-C129 PolarHBondContact O-N 3.28Å; C127-L130 PolarHBondContact O-N 2.91Å; C127-C131 WeakPolarHBondContact O-CB 3.29Å; C127-C131 PolarHBondContact O-N 2.76Å; C127-C131 PolarHBondContact O-SG 2.9Å; C127-C131 VanDerWaalsContact O-SG 3.34Å
128A96.6Very high94.5Very high60 Ų6047.6 Ų47.650%0.49626%0.261SS..Hα-helixtrans-59-43.417600000112.8S124 L125 L132S124-A128 PolarHBondContact O-N 3.41Å; L125-A128 PolarHBondContact O-N 3.32Å; A128-L132 WeakPolarHBondContact O-CB 3.45Å; A128-L132 PolarHBondContact O-N 3.04Å; A128-L132 VanDerWaalsContact O-N 3.14Å
129C95.8Very high94.4Very high28 Ų2850.8 Ų50.819%0.18928%0.278CS..Hα-helixtrans-63.4-46.1175.2-72.50000112.6L125 S126 C127 L132 A133 T683L125-C129 PolarHBondContact O-N 3.4Å; L125-C129 PolarHBondContact O-SG 3.5Å; S126-C129 PolarHBondContact O-N 3.25Å; C127-C129 PolarHBondContact O-N 3.28Å; C129-L132 PolarHBondContact O-N 3.37Å; C129-A133 PolarHBondContact O-N 3.44Å; C129-T683 HydrophobicContact CB-CG2 4.13Å
130L96.4Very high94.3Very high1 Ų149.6 Ų49.61%0.00527%0.272CS..Hα-helixtrans-62.8-46-179.7-71163.1000111.6S126 C127 L132 A133 L134 F155 L158 M159 T683S126-L130 WeakPolarHBondContact O-CB 3.25Å; S126-L130 WeakPolarHBondContact O-CD1 3.49Å; S126-L130 WeakPolarHBondContact O-CG 3.3Å; S126-L130 PolarHBondContact O-N 2.94Å; C127-L130 PolarHBondContact O-N 2.91Å; L130-L132 PolarHBondContact O-N 3.41Å; L130-A133 PolarHBondContact O-N 3.29Å; L130-L134 WeakPolarHBondContact O-CG 3.5Å; L130-L134 PolarHBondContact O-N 3.25Å; L130-F155 HydrophobicContact CD2-CB 3.72Å; L130-F155 HydrophobicContact CD2-CD1 3.93Å; L130-F155 HydrophobicContact CD2-CG 3.87Å; L130-L158 HydrophobicContact CD1-CB 3.7Å; L130-L158 HydrophobicContact CD2-CB 4.23Å; L130-L158 HydrophobicContact CD2-CD1 4.2Å; L130-M159 HydrophobicContact CD1-CB 4.42Å; L130-T683 WeakPolarHBondContact CD2-OG1 3.27Å
131C97Very high94Very high47 Ų4754.6 Ų54.632%0.31829%0.292SS..Hα-helixtrans-55.7-48.7173.9-75.10000111.7C127 A133 L134 I135 M159C127-C131 WeakPolarHBondContact O-CB 3.29Å; C127-C131 PolarHBondContact O-N 2.76Å; C127-C131 PolarHBondContact O-SG 2.9Å; C127-C131 VanDerWaalsContact O-SG 3.34Å; C131-A133 VanDerWaalsContact C-N 3.32Å; C131-A133 PolarHBondContact O-N 3.43Å; C131-L134 PolarHBondContact O-N 3.31Å; C131-I135 WeakPolarHBondContact O-CB 3.38Å; C131-I135 WeakPolarHBondContact O-CD1 3.33Å; C131-I135 VanDerWaalsContact O-CG1 3.24Å; C131-I135 WeakPolarHBondContact O-CG1 3.37Å; C131-I135 PolarHBondContact O-N 2.97Å; C131-M159 VanDerWaalsContact SG-SD 3.62Å
132L95.7Very high93.5Very high87 Ų8752.7 Ų52.746%0.45528%0.282SS..Hα-helixtrans-61.3-39.1178-17957.2000112.2A128 C129 L130 I135 I136 F688A128-L132 WeakPolarHBondContact O-CB 3.45Å; A128-L132 PolarHBondContact O-N 3.04Å; A128-L132 VanDerWaalsContact O-N 3.14Å; C129-L132 PolarHBondContact O-N 3.37Å; L130-L132 PolarHBondContact O-N 3.41Å; L132-I135 PolarHBondContact O-N 2.85Å; L132-I136 HydrophobicContact CD1-CD1 4.41Å; L132-I136 HydrophobicContact CG-CD1 4.24Å; L132-I136 WeakPolarHBondContact O-CD1 3.49Å; L132-I136 VanDerWaalsContact O-CG1 3.28Å; L132-I136 WeakPolarHBondContact O-CG1 3.47Å; L132-I136 PolarHBondContact O-N 3.2Å; L132-F688 HydrophobicContact CD2-CE1 4.43Å; L132-F688 HydrophobicContact CD2-CZ 3.87Å; L132-F688 HydrophobicContact CG-CZ 4.13Å
133A94.2Very high93.1Very high0 Ų052.5 Ų52.50%028%0.28CS..Hα-helixtrans-67.5-43177.900000112.9C129 L130 C131 I136 F137 F155 T683 C687C129-A133 PolarHBondContact O-N 3.44Å; L130-A133 PolarHBondContact O-N 3.29Å; C131-A133 VanDerWaalsContact C-N 3.32Å; C131-A133 PolarHBondContact O-N 3.43Å; A133-I136 PolarHBondContact O-N 3.01Å; A133-F137 PolarHBondContact O-N 2.89Å; A133-F155 HydrophobicContact CB-CD2 3.99Å; A133-F155 HydrophobicContact CB-CE2 3.69Å; A133-T683 HydrophobicContact CB-CG2 3.66Å; A133-C687 HydrophobicContact CB-CB 4.03Å
134L95.2Very high92.6Very high36 Ų3657.4 Ų57.419%0.18830%0.302CS..Hα-helixtrans-62.2-42.4174.5-72.2171.3000111.4L130 C131 I136 F137 Y138 F155 V156 M159L130-L134 WeakPolarHBondContact O-CG 3.5Å; L130-L134 PolarHBondContact O-N 3.25Å; C131-L134 PolarHBondContact O-N 3.31Å; L134-I136 VanDerWaalsContact C-N 3.34Å; L134-I136 PolarHBondContact O-N 3.31Å; L134-F137 PolarHBondContact O-N 3.35Å; L134-Y138 VanDerWaalsContact O-CB 3.31Å; L134-Y138 WeakPolarHBondContact O-CB 3.44Å; L134-Y138 PolarHBondContact O-N 3.43Å; L134-F155 HydrophobicContact CD1-CB 4.38Å; L134-F155 HydrophobicContact CD2-CB 4.02Å; L134-F155 HydrophobicContact CD2-CD2 4.11Å; L134-F155 HydrophobicContact CG-CB 4.15Å; L134-F155 HydrophobicContact CG-CD2 4.28Å; L134-V156 HydrophobicContact CD1-CG2 3.93Å; L134-V156 HydrophobicContact CD2-CG2 4.2Å; L134-M159 HydrophobicContact CD1-CE 4.5Å; L134-M159 HydrophobicContact CD1-SD 4.22Å
135I94.7Very high92.3Very high91 Ų9157 Ų5747%0.46730%0.298SS..Hα-helixtrans-59.3-43.1173.9-70.1164.7000111.1C131 L132 Y138 I139C131-I135 WeakPolarHBondContact O-CB 3.38Å; C131-I135 WeakPolarHBondContact O-CD1 3.33Å; C131-I135 VanDerWaalsContact O-CG1 3.24Å; C131-I135 WeakPolarHBondContact O-CG1 3.37Å; C131-I135 PolarHBondContact O-N 2.97Å; L132-I135 PolarHBondContact O-N 2.85Å; I135-Y138 PolarHBondContact O-N 2.87Å; I135-I139 HydrophobicContact CG2-CD1 3.61Å; I135-I139 HydrophobicContact CG2-CG1 4.39Å; I135-I139 WeakPolarHBondContact O-CB 3.23Å; I135-I139 VanDerWaalsContact O-CG1 3.29Å; I135-I139 WeakPolarHBondContact O-CG1 3.45Å; I135-I139 PolarHBondContact O-N 3.24Å
136I92.4Very high91.9Very high30 Ų3054.5 Ų54.515%0.15429%0.285CS..Hα-helixtrans-61.8-48.7176.1-70163000111.1L132 A133 L134 Y138 I139 F140 L143 F688 V693L132-I136 HydrophobicContact CD1-CD1 4.41Å; L132-I136 HydrophobicContact CG-CD1 4.24Å; L132-I136 WeakPolarHBondContact O-CD1 3.49Å; L132-I136 VanDerWaalsContact O-CG1 3.28Å; L132-I136 WeakPolarHBondContact O-CG1 3.47Å; L132-I136 PolarHBondContact O-N 3.2Å; A133-I136 PolarHBondContact O-N 3.01Å; L134-I136 VanDerWaalsContact C-N 3.34Å; L134-I136 PolarHBondContact O-N 3.31Å; I136-Y138 VanDerWaalsContact C-N 3.3Å; I136-Y138 PolarHBondContact O-N 3.2Å; I136-I139 PolarHBondContact O-N 3.32Å; I136-F140 HydrophobicContact CG2-CD2 4.13Å; I136-F140 HydrophobicContact CG2-CE2 4.43Å; I136-F140 WeakPolarHBondContact O-CB 3.43Å; I136-F140 VanDerWaalsContact O-CD2 3.29Å; I136-F140 WeakPolarHBondContact O-CD2 3.48Å; I136-F140 PolarHBondContact O-N 2.97Å; I136-L143 HydrophobicContact CG2-CD1 4.05Å; I136-F688 HydrophobicContact CD1-CE1 3.75Å; I136-F688 HydrophobicContact CD1-CZ 4.48Å; I136-V693 HydrophobicContact CG2-CG1 4.09Å
137F92.1Very high91.5Very high8 Ų860 Ų604%0.03531%0.305CS..Hα-helixtrans-66.3-31.6178.4-69.4-13.1000112.9A133 L134 L143 K144 N148 H151 S152 F155 C687 V693A133-F137 PolarHBondContact O-N 2.89Å; L134-F137 PolarHBondContact O-N 3.35Å; F137-L143 HydrophobicContact CD1-CB 4.26Å; F137-L143 HydrophobicContact CD1-CD1 3.94Å; F137-L143 HydrophobicContact CE1-CD1 4.25Å; F137-K144 VanDerWaalsContact O-CE 3.25Å; F137-K144 WeakPolarHBondContact O-CE 3.39Å; F137-N148 HydrophobicContact CD2-CB 4.48Å; F137-N148 HydrophobicContact CE2-CB 4.28Å; F137-N148 HydrophobicContact CZ-CB 4.39Å; F137-H151 HydrophobicContact CE2-CB 4.5Å; F137-S152 WeakPolarHBondContact CD2-OG 3.27Å; F137-F155 HydrophobicContact CD2-CE2 4.01Å; F137-F155 HydrophobicContact CE2-CD2 4.31Å; F137-F155 AromaticContact CE2-CE2 3.45Å; F137-F155 HydrophobicContact CE2-CE2 3.45Å; F137-F155 VanDerWaalsContact CE2-CE2 3.45Å; F137-F155 HydrophobicContact CE2-CZ 4.02Å; F137-F155 HydrophobicContact CZ-CE2 4.2Å; F137-C687 HydrophobicContact CZ-CB 4.29Å; F137-V693 HydrophobicContact CE1-CG2 4.12Å
138Y91.1Very high91.3Very high177 Ų17759.2 Ų59.269%0.69430%0.299SS*.Hα-helixtrans-66.7-51174.8-179.4-105000112.6L134 I135 I136 K144L134-Y138 VanDerWaalsContact O-CB 3.31Å; L134-Y138 WeakPolarHBondContact O-CB 3.44Å; L134-Y138 PolarHBondContact O-N 3.43Å; I135-Y138 PolarHBondContact O-N 2.87Å; I136-Y138 VanDerWaalsContact C-N 3.3Å; I136-Y138 PolarHBondContact O-N 3.2Å; Y138-K144 WeakPolarHBondContact O-CE 3.46Å; Y138-K144 PolarHBondContact O-NZ 3.21Å
139I90.9Very high91.1Very high103 Ų10358.4 Ų58.453%0.52829%0.288SS..Hα-helixtrans-66.5-46.8-177.4-69.3169.9000111.4I135 I136 K141I135-I139 HydrophobicContact CG2-CD1 3.61Å; I135-I139 HydrophobicContact CG2-CG1 4.39Å; I135-I139 WeakPolarHBondContact O-CB 3.23Å; I135-I139 VanDerWaalsContact O-CG1 3.29Å; I135-I139 WeakPolarHBondContact O-CG1 3.45Å; I135-I139 PolarHBondContact O-N 3.24Å; I136-I139 PolarHBondContact O-N 3.32Å; I139-K141 PolarHBondContact O-N 3.01Å
140F89.2Confident90.9Very high17 Ų1757.1 Ų57.18%0.07528%0.279CS..  trans-83.988-173.4-74.1-104000111.1I136 S142 L143 Q696 F697 Q700I136-F140 HydrophobicContact CG2-CD2 4.13Å; I136-F140 HydrophobicContact CG2-CE2 4.43Å; I136-F140 WeakPolarHBondContact O-CB 3.43Å; I136-F140 VanDerWaalsContact O-CD2 3.29Å; I136-F140 WeakPolarHBondContact O-CD2 3.48Å; I136-F140 PolarHBondContact O-N 2.97Å; F140-S142 PolarHBondContact O-N 3.41Å; F140-L143 HydrophobicContact CB-CB 4.24Å; F140-L143 HydrophobicContact CB-CD1 3.74Å; F140-L143 HydrophobicContact CB-CG 3.83Å; F140-L143 HydrophobicContact CG-CD1 4.21Å; F140-L143 WeakPolarHBondContact O-CB 3.34Å; F140-L143 PolarHBondContact O-N 3.46Å; F140-Q696 HydrophobicContact CD1-CB 3.83Å; F140-Q696 HydrophobicContact CE1-CB 3.93Å; F140-F697 HydrophobicContact CZ-CD2 4.34Å; F140-Q700 HydrophobicContact CE1-CB 4.37Å; F140-Q700 HydrophobicContact CE1-CG 3.69Å; F140-Q700 HydrophobicContact CZ-CG 4.12Å
141K86.4Confident90.6Very high160 Ų16057.6 Ų57.670%0.69628%0.281SS*.THydrogen-bonded Turntrans-56.9-6.9172.9-169.2171.8179.91730114.5I139 K383I139-K141 PolarHBondContact O-N 3.01Å; K141-K383 PolarHBondContact O-NZ 3.07Å; K141-K383 VanDerWaalsContact O-NZ 3.09Å
142S84.4Confident90.5Very high52 Ų5256.6 Ų56.636%0.36428%0.275SS..THydrogen-bonded Turntrans-84.8-17.116946.10000114.1F140 Q696F140-S142 PolarHBondContact O-N 3.41Å; S142-Q696 VanDerWaalsContact OG-CD 3.25Å; S142-Q696 PolarHBondContact OG-OE1 2.95Å; S142-Q696 VanDerWaalsContact OG-OE1 3.12Å
143L86.1Confident90.5Very high1 Ų154.7 Ų54.71%0.00526%0.264CS..SBendtrans-94.5-4177.7-62.7179.6000113.2I136 F137 F140 C145 N148 E692 V693 Q696I136-L143 HydrophobicContact CG2-CD1 4.05Å; F137-L143 HydrophobicContact CD1-CB 4.26Å; F137-L143 HydrophobicContact CD1-CD1 3.94Å; F137-L143 HydrophobicContact CE1-CD1 4.25Å; F140-L143 HydrophobicContact CB-CB 4.24Å; F140-L143 HydrophobicContact CB-CD1 3.74Å; F140-L143 HydrophobicContact CB-CG 3.83Å; F140-L143 HydrophobicContact CG-CD1 4.21Å; F140-L143 WeakPolarHBondContact O-CB 3.34Å; F140-L143 PolarHBondContact O-N 3.46Å; L143-C145 PolarHBondContact O-N 2.89Å; L143-N148 WeakPolarHBondContact O-CB 3.13Å; L143-N148 PolarHBondContact O-ND2 3.43Å; L143-E692 HydrophobicContact CD2-CG 3.73Å; L143-V693 HydrophobicContact CD1-CB 4.49Å; L143-V693 HydrophobicContact CD1-CG1 4.24Å; L143-V693 HydrophobicContact CD1-CG2 4.02Å; L143-V693 HydrophobicContact CD2-CG2 4.16Å; L143-Q696 HydrophobicContact CD2-CG 3.82Å; L143-Q696 HydrophobicContact CG-CG 4.28Å
144K85.4Confident90.4Very high115 Ų11554.7 Ų54.750%0.526%0.264SS..  trans-78.267.1179.7-61-169.2-178.5-170.30111.8F137 Y138F137-K144 VanDerWaalsContact O-CE 3.25Å; F137-K144 WeakPolarHBondContact O-CE 3.39Å; Y138-K144 WeakPolarHBondContact O-CE 3.46Å; Y138-K144 PolarHBondContact O-NZ 3.21Å
145C87Confident90.4Very high55 Ų5553 Ų5337%0.37226%0.255SS..SBendtrans-104.6159170.668.30000110.6L143 R147 N148 T149L143-C145 PolarHBondContact O-N 2.89Å; C145-R147 VanDerWaalsContact C-N 3.27Å; C145-R147 PolarHBondContact O-N 2.96Å; C145-N148 PolarHBondContact O-N 3.09Å; C145-N148 VanDerWaalsContact SG-CG 3.53Å; C145-T149 PolarHBondContact O-N 3.33Å; C145-T149 PolarHBondContact O-OG1 3.06Å
146M88.4Confident90.5Very high47 Ų4750.7 Ų50.723%0.23224%0.244CC..Hα-helixtrans-48.3-45.7-177.9-179.868.217600113.2N148 T149 I150 Y216 F232 Y235M146-N148 PolarHBondContact O-N 3.38Å; M146-T149 WeakPolarHBondContact O-CB 3.43Å; M146-T149 PolarHBondContact O-N 3.33Å; M146-I150 HydrophobicContact CE-CD1 4.21Å; M146-I150 HydrophobicContact CG-CD1 4.41Å; M146-I150 WeakPolarHBondContact O-CG1 3.46Å; M146-I150 PolarHBondContact O-N 2.93Å; M146-Y216 HydrophobicContact CE-CD2 4.45Å; M146-Y216 HydrophobicContact CE-CE2 4.31Å; M146-Y216 HydrophobicContact CG-CD2 4.47Å; M146-Y216 HydrophobicContact CG-CE1 4.46Å; M146-Y216 HydrophobicContact CG-CE2 3.6Å; M146-Y216 WeakPolarHBondContact CG-OH 3.15Å; M146-F232 HydrophobicContact CE-CB 4.4Å; M146-F232 HydrophobicContact CE-CD2 3.79Å; M146-F232 HydrophobicContact SD-CB 3.98Å; M146-F232 HydrophobicContact SD-CD2 3.71Å; M146-F232 HydrophobicContact SD-CG 4.27Å; M146-Y235 HydrophobicContact CE-CD2 3.62Å; M146-Y235 HydrophobicContact CE-CE2 3.85Å; M146-Y235 HydrophobicContact CE-CG 4.21Å
147R87.4Confident90.6Very high116 Ų11649.2 Ų49.244%0.43824%0.237SC..Hα-helixtrans-56.4-50.6175.4178.3-178.8-61.5-170.70.1112.6C145 T149 I150 H151 Y216C145-R147 VanDerWaalsContact C-N 3.27Å; C145-R147 PolarHBondContact O-N 2.96Å; R147-T149 VanDerWaalsContact C-N 3.26Å; R147-T149 PolarHBondContact O-N 3.4Å; R147-I150 WeakPolarHBondContact O-CB 3.13Å; R147-I150 PolarHBondContact O-N 3.35Å; R147-H151 WeakPolarHBondContact CG-NE2 3.31Å; R147-H151 PolarHBondContact O-CD2 3.44Å; R147-H151 PolarHBondContact O-N 3.01Å; R147-Y216 HydrophobicContact CB-CE1 4.2Å
148N90.4Very high90.7Very high12 Ų1249.3 Ų49.36%0.06424%0.238CC..Hα-helixtrans-72-23.4-178.5-65.5-9.4000111.8F137 L143 C145 M146 S152F137-N148 HydrophobicContact CD2-CB 4.48Å; F137-N148 HydrophobicContact CE2-CB 4.28Å; F137-N148 HydrophobicContact CZ-CB 4.39Å; L143-N148 WeakPolarHBondContact O-CB 3.13Å; L143-N148 PolarHBondContact O-ND2 3.43Å; C145-N148 PolarHBondContact O-N 3.09Å; C145-N148 VanDerWaalsContact SG-CG 3.53Å; M146-N148 PolarHBondContact O-N 3.38Å; N148-S152 WeakPolarHBondContact O-CB 3.22Å; N148-S152 PolarHBondContact O-N 3.41Å; N148-S152 PolarHBondContact O-OG 3.21Å
149T92Very high91Very high44 Ų4443.1 Ų43.127%0.2722%0.216SC..Hα-helixtrans-65.1-48.7166.9-56.30000110.8C145 M146 R147 H151 S152 H153 F232C145-T149 PolarHBondContact O-N 3.33Å; C145-T149 PolarHBondContact O-OG1 3.06Å; M146-T149 WeakPolarHBondContact O-CB 3.43Å; M146-T149 PolarHBondContact O-N 3.33Å; R147-T149 VanDerWaalsContact C-N 3.26Å; R147-T149 PolarHBondContact O-N 3.4Å; T149-H151 PolarHBondContact O-N 3.47Å; T149-S152 WeakPolarHBondContact O-CB 3.21Å; T149-S152 PolarHBondContact O-N 2.71Å; T149-S152 VanDerWaalsContact O-N 3.09Å; T149-H153 PolarHBondContact O-CD2 3.05Å; T149-H153 VanDerWaalsContact O-CD2 3.23Å; T149-H153 PolarHBondContact O-N 3.44Å; T149-F232 HydrophobicContact CG2-CD1 4.28Å; T149-F232 HydrophobicContact CG2-CD2 4.14Å; T149-F232 HydrophobicContact CG2-CE1 3.95Å; T149-F232 HydrophobicContact CG2-CE2 3.83Å; T149-F232 HydrophobicContact CG2-CG 4.38Å; T149-F232 HydrophobicContact CG2-CZ 3.75Å
150I92Very high91.2Very high1 Ų140 Ų401%0.00520%0.2CC..Hα-helixtrans-56.5-50.8174.8-65.7166.5000110.5M146 R147 S152 H153 L154 W209 I212 E213 Y216M146-I150 HydrophobicContact CE-CD1 4.21Å; M146-I150 HydrophobicContact CG-CD1 4.41Å; M146-I150 WeakPolarHBondContact O-CG1 3.46Å; M146-I150 PolarHBondContact O-N 2.93Å; R147-I150 WeakPolarHBondContact O-CB 3.13Å; R147-I150 PolarHBondContact O-N 3.35Å; I150-S152 VanDerWaalsContact C-N 3.27Å; I150-S152 PolarHBondContact O-N 3.02Å; I150-H153 PolarHBondContact O-N 3.27Å; I150-H153 VanDerWaalsContact O-N 3.11Å; I150-L154 PolarHBondContact O-N 3.45Å; I150-W209 HydrophobicContact CG1-CZ3 4.47Å; I150-W209 HydrophobicContact CG2-CE3 4.14Å; I150-W209 HydrophobicContact CG2-CZ3 4.38Å; I150-I212 HydrophobicContact CD1-CG2 4.43Å; I150-I212 HydrophobicContact CG1-CG2 4.42Å; I150-I212 HydrophobicContact CG2-CG2 4.26Å; I150-E213 HydrophobicContact CG2-CB 4.02Å; I150-E213 HydrophobicContact CG2-CG 4.38Å; I150-Y216 HydrophobicContact CD1-CD1 3.58Å; I150-Y216 HydrophobicContact CD1-CD2 4.05Å; I150-Y216 HydrophobicContact CD1-CE1 4.04Å; I150-Y216 HydrophobicContact CD1-CE2 4.48Å; I150-Y216 HydrophobicContact CD1-CG 3.58Å
151H91.6Very high91.4Very high11 Ų1139.5 Ų39.55%0.05120%0.198CC..Hα-helixtrans-60.7-34.7176.3-59.4-42.9000112.5F137 R147 T149 L154 F155 E213 Y686F137-H151 HydrophobicContact CE2-CB 4.5Å; R147-H151 WeakPolarHBondContact CG-NE2 3.31Å; R147-H151 PolarHBondContact O-CD2 3.44Å; R147-H151 PolarHBondContact O-N 3.01Å; T149-H151 PolarHBondContact O-N 3.47Å; H151-L154 PolarHBondContact O-N 3.08Å; H151-F155 HydrophobicContact CB-CE1 4.36Å; H151-F155 HydrophobicContact CB-CZ 4.31Å; H151-F155 WeakPolarHBondContact O-CD1 3.38Å; H151-F155 WeakPolarHBondContact O-CG 3.43Å; H151-F155 PolarHBondContact O-N 3.2Å; H151-E213 IonicContact CE1-OE1 3.97Å; H151-E213 PolarHBondContact CE1-OE1 2.58Å; H151-E213 IonicContact CE1-OE2 2.7Å; H151-E213 PolarHBondContact CE1-OE2 3Å; H151-E213 IonicContact ND1-OE1 2.71Å; H151-E213 IonicContact ND1-OE2 3.57Å; H151-E213 PolarHBondContact ND1-OE2 3.3Å; H151-Y686 AromaticContact CE1-CD1 3.86Å; H151-Y686 AromaticContact CE1-CD2 3.98Å; H151-Y686 AromaticContact CE1-CE1 3.84Å; H151-Y686 AromaticContact CE1-CE2 3.95Å; H151-Y686 AromaticContact CE1-CG 3.95Å; H151-Y686 AromaticContact CE1-CZ 3.88Å; H151-Y686 AromaticContact ND1-CD2 3.71Å; H151-Y686 AromaticContact ND1-CE2 3.79Å
152S93.5Very high91.7Very high25 Ų2532 Ų3218%0.17517%0.166CC..Hα-helixtrans-63.1-40.9174.8-59.20000111.8F137 N148 T149 I150 F155 V156F137-S152 WeakPolarHBondContact CD2-OG 3.27Å; N148-S152 WeakPolarHBondContact O-CB 3.22Å; N148-S152 PolarHBondContact O-N 3.41Å; N148-S152 PolarHBondContact O-OG 3.21Å; T149-S152 WeakPolarHBondContact O-CB 3.21Å; T149-S152 PolarHBondContact O-N 2.71Å; T149-S152 VanDerWaalsContact O-N 3.09Å; I150-S152 VanDerWaalsContact C-N 3.27Å; I150-S152 PolarHBondContact O-N 3.02Å; S152-F155 PolarHBondContact O-N 3.26Å; S152-V156 WeakPolarHBondContact O-CG2 3.39Å; S152-V156 PolarHBondContact O-N 3.06Å
153H95.4Very high92.3Very high48 Ų4832 Ų3222%0.22217%0.165CC..Hα-helixtrans-69.6-37.1176.3-74.3-75.6000112.4T149 I150 F155 V156 A157 W209 F232 W240T149-H153 PolarHBondContact O-CD2 3.05Å; T149-H153 VanDerWaalsContact O-CD2 3.23Å; T149-H153 PolarHBondContact O-N 3.44Å; I150-H153 PolarHBondContact O-N 3.27Å; I150-H153 VanDerWaalsContact O-N 3.11Å; H153-F155 VanDerWaalsContact C-N 3.32Å; H153-F155 PolarHBondContact O-N 3.43Å; H153-V156 PolarHBondContact O-N 3.31Å; H153-A157 PolarHBondContact O-N 3.29Å; H153-W209 HydrophobicContact CB-CD2 3.63Å; H153-W209 VanDerWaalsContact CB-CE2 3.49Å; H153-W209 HydrophobicContact CB-CE3 3.78Å; H153-W209 HydrophobicContact CB-CG 4.37Å; H153-W209 HydrophobicContact CB-CH2 3.76Å; H153-W209 HydrophobicContact CB-CZ2 3.6Å; H153-W209 HydrophobicContact CB-CZ3 3.84Å; H153-W209 AromaticContact CG-CH2 3.85Å; H153-W209 AromaticContact CG-CZ2 3.79Å; H153-F232 AromaticContact CD2-CZ 3.38Å; H153-F232 WeakPolarHBondContact CD2-CZ 3.47Å; H153-F232 AromaticContact NE2-CE1 3.55Å; H153-F232 AromaticContact NE2-CZ 3.3Å; H153-F232 VanDerWaalsContact NE2-CZ 3.3Å; H153-F232 WeakPolarHBondContact NE2-CZ 3.5Å; H153-W240 HydrophobicContact CB-CZ2 4.05Å; H153-W240 AromaticContact CE1-NE1 3.85Å; H153-W240 AromaticContact CG-NE1 3.98Å; H153-W240 AromaticContact ND1-CE2 3.73Å; H153-W240 AromaticContact ND1-CZ2 3.65Å; H153-W240 AromaticContact ND1-NE1 3.21Å; H153-W240 PolarHBondContact ND1-NE1 3.34Å
154L93Very high92.6Very high0 Ų032 Ų320%017%0.165CC..Hα-helixtrans-59.4-42.3169.7-178.563.1000111.7I150 H151 A157 L158 I206 W209 M210 V682 Y686I150-L154 PolarHBondContact O-N 3.45Å; H151-L154 PolarHBondContact O-N 3.08Å; L154-A157 PolarHBondContact O-N 2.93Å; L154-L158 HydrophobicContact CG-CD1 4.3Å; L154-L158 WeakPolarHBondContact O-CG 3.49Å; L154-L158 PolarHBondContact O-N 3.43Å; L154-I206 HydrophobicContact CD1-CG2 4.16Å; L154-W209 HydrophobicContact CB-CB 4.24Å; L154-W209 HydrophobicContact CD1-CB 4Å; L154-M210 HydrophobicContact CD1-CG 3.73Å; L154-M210 HydrophobicContact CD1-SD 4.49Å; L154-M210 HydrophobicContact CD2-CG 4.38Å; L154-V682 HydrophobicContact CD2-CG1 4.21Å; L154-Y686 HydrophobicContact CD2-CE2 4.19Å
155F95.5Very high93Very high0 Ų027.6 Ų27.60%015%0.145CC..Hα-helixtrans-63.8-39.8175.6-63-8.3000112.1L130 A133 L134 F137 H151 S152 H153 L158 M159 V682 Y686L130-F155 HydrophobicContact CD2-CB 3.72Å; L130-F155 HydrophobicContact CD2-CD1 3.93Å; L130-F155 HydrophobicContact CD2-CG 3.87Å; A133-F155 HydrophobicContact CB-CD2 3.99Å; A133-F155 HydrophobicContact CB-CE2 3.69Å; L134-F155 HydrophobicContact CD1-CB 4.38Å; L134-F155 HydrophobicContact CD2-CB 4.02Å; L134-F155 HydrophobicContact CD2-CD2 4.11Å; L134-F155 HydrophobicContact CG-CB 4.15Å; L134-F155 HydrophobicContact CG-CD2 4.28Å; F137-F155 HydrophobicContact CD2-CE2 4.01Å; F137-F155 HydrophobicContact CE2-CD2 4.31Å; F137-F155 AromaticContact CE2-CE2 3.45Å; F137-F155 HydrophobicContact CE2-CE2 3.45Å; F137-F155 VanDerWaalsContact CE2-CE2 3.45Å; F137-F155 HydrophobicContact CE2-CZ 4.02Å; F137-F155 HydrophobicContact CZ-CE2 4.2Å; H151-F155 HydrophobicContact CB-CE1 4.36Å; H151-F155 HydrophobicContact CB-CZ 4.31Å; H151-F155 WeakPolarHBondContact O-CD1 3.38Å; H151-F155 WeakPolarHBondContact O-CG 3.43Å; H151-F155 PolarHBondContact O-N 3.2Å; S152-F155 PolarHBondContact O-N 3.26Å; H153-F155 VanDerWaalsContact C-N 3.32Å; H153-F155 PolarHBondContact O-N 3.43Å; F155-L158 PolarHBondContact O-N 2.97Å; F155-M159 WeakPolarHBondContact O-CB 3.38Å; F155-M159 PolarHBondContact O-N 3.31Å; F155-V682 HydrophobicContact CD1-CG1 4.15Å; F155-V682 HydrophobicContact CE1-CG1 3.83Å; F155-Y686 HydrophobicContact CE1-CD2 4.23Å
156V96.3Very high93.2Very high42 Ų4225.9 Ų25.926%0.25513%0.134SC..Hα-helixtrans-64.9-40.8175.4170.80000111.1L134 S152 H153 M159 I160 W240L134-V156 HydrophobicContact CD1-CG2 3.93Å; L134-V156 HydrophobicContact CD2-CG2 4.2Å; S152-V156 WeakPolarHBondContact O-CG2 3.39Å; S152-V156 PolarHBondContact O-N 3.06Å; H153-V156 PolarHBondContact O-N 3.31Å; V156-M159 PolarHBondContact O-N 3.49Å; V156-I160 HydrophobicContact CG1-CD1 3.87Å; V156-I160 HydrophobicContact CG1-CG1 4.42Å; V156-I160 VanDerWaalsContact O-CG1 3.3Å; V156-I160 WeakPolarHBondContact O-CG1 3.47Å; V156-I160 PolarHBondContact O-N 3.48Å; V156-W240 HydrophobicContact CB-CH2 4.41Å; V156-W240 HydrophobicContact CB-CZ2 4.48Å; V156-W240 HydrophobicContact CG1-CH2 4Å; V156-W240 HydrophobicContact CG1-CZ2 4.23Å
157A95.4Very high93.4Very high0 Ų027.8 Ų27.80%014%0.144CC..Hα-helixtrans-63.1-43.917600000112.2H153 L154 M159 I160 K161 A205 I206 W240H153-A157 PolarHBondContact O-N 3.29Å; L154-A157 PolarHBondContact O-N 2.93Å; A157-M159 VanDerWaalsContact C-N 3.34Å; A157-M159 PolarHBondContact O-N 3.37Å; A157-I160 PolarHBondContact O-N 2.94Å; A157-K161 PolarHBondContact O-N 3.1Å; A157-A205 HydrophobicContact CB-CB 3.91Å; A157-I206 HydrophobicContact CB-CG1 3.87Å; A157-W240 HydrophobicContact CB-CH2 3.94Å; A157-W240 HydrophobicContact CB-CZ3 4.28Å
158L93.6Very high93.4Very high9 Ų922.7 Ų22.75%0.04713%0.126CC..Hα-helixtrans-60.2-41.5172.6-73.7162.8000112.4L130 L154 F155 K161 A162 I206 Q678 V682L130-L158 HydrophobicContact CD1-CB 3.7Å; L130-L158 HydrophobicContact CD2-CB 4.23Å; L130-L158 HydrophobicContact CD2-CD1 4.2Å; L154-L158 HydrophobicContact CG-CD1 4.3Å; L154-L158 WeakPolarHBondContact O-CG 3.49Å; L154-L158 PolarHBondContact O-N 3.43Å; F155-L158 PolarHBondContact O-N 2.97Å; L158-K161 PolarHBondContact O-N 3.33Å; L158-A162 WeakPolarHBondContact O-CB 3.33Å; L158-A162 PolarHBondContact O-N 3Å; L158-I206 HydrophobicContact CD2-CD1 3.63Å; L158-I206 HydrophobicContact CD2-CG1 4.04Å; L158-I206 HydrophobicContact CG-CD1 4.11Å; L158-I206 HydrophobicContact CG-CG1 4.08Å; L158-Q678 HydrophobicContact CD2-CG 4.09Å; L158-V682 HydrophobicContact CD1-CB 4.19Å; L158-V682 HydrophobicContact CD1-CG1 3.95Å; L158-V682 HydrophobicContact CD1-CG2 4.39Å
159M96.2Very high93.2Very high47 Ų4723.3 Ų23.323%0.23213%0.128CC..Hα-helixtrans-66.5-42.6178.2-170.1178.874.100111.6L130 C131 L134 F155 V156 A157 K161 A162 C163L130-M159 HydrophobicContact CD1-CB 4.42Å; C131-M159 VanDerWaalsContact SG-SD 3.62Å; L134-M159 HydrophobicContact CD1-CE 4.5Å; L134-M159 HydrophobicContact CD1-SD 4.22Å; F155-M159 WeakPolarHBondContact O-CB 3.38Å; F155-M159 PolarHBondContact O-N 3.31Å; V156-M159 PolarHBondContact O-N 3.49Å; A157-M159 VanDerWaalsContact C-N 3.34Å; A157-M159 PolarHBondContact O-N 3.37Å; M159-K161 PolarHBondContact O-N 2.97Å; M159-A162 PolarHBondContact O-N 3.19Å; M159-C163 WeakPolarHBondContact O-CB 3.45Å; M159-C163 PolarHBondContact O-N 3.17Å; M159-C163 PolarHBondContact O-SG 3.44Å; M159-C163 VanDerWaalsContact O-SG 3.35Å
160I95.8Very high93Very high39 Ų3925.3 Ų25.320%0.214%0.136CC..Hα-helixtrans-59.4-47.5174.8-70166.2000110.6V156 A157 A162 A164 L198 F201 W240V156-I160 HydrophobicContact CG1-CD1 3.87Å; V156-I160 HydrophobicContact CG1-CG1 4.42Å; V156-I160 VanDerWaalsContact O-CG1 3.3Å; V156-I160 WeakPolarHBondContact O-CG1 3.47Å; V156-I160 PolarHBondContact O-N 3.48Å; A157-I160 PolarHBondContact O-N 2.94Å; I160-A162 PolarHBondContact O-N 3.4Å; I160-A164 VanDerWaalsContact O-CB 3.23Å; I160-A164 WeakPolarHBondContact O-CB 3.35Å; I160-A164 PolarHBondContact O-N 3.23Å; I160-L198 HydrophobicContact CG2-CD1 3.6Å; I160-L198 HydrophobicContact CG2-CD2 4.46Å; I160-L198 HydrophobicContact CG2-CG 3.78Å; I160-F201 HydrophobicContact CD1-CE1 4.28Å; I160-F201 HydrophobicContact CG2-CD1 4.23Å; I160-W240 HydrophobicContact CD1-CH2 4.37Å; I160-W240 HydrophobicContact CD1-CZ3 4.34Å
161K93.2Very high92.7Very high6 Ų626.7 Ų26.73%0.02614%0.142CC..Hα-helixtrans-57.6-49175.6-177.7-175.6177.1-175.10111.8A157 L158 M159 A164 W165 S203 I206 E652A157-K161 PolarHBondContact O-N 3.1Å; L158-K161 PolarHBondContact O-N 3.33Å; M159-K161 PolarHBondContact O-N 2.97Å; K161-A164 PolarHBondContact O-N 3.42Å; K161-W165 WeakPolarHBondContact O-CB 3.36Å; K161-W165 PolarHBondContact O-N 2.89Å; K161-S203 WeakPolarHBondContact CE-OG 3.49Å; K161-I206 HydrophobicContact CB-CD1 4.17Å; K161-I206 HydrophobicContact CD-CD1 3.62Å; K161-E652 IonicContact NZ-OE1 3.85Å; K161-E652 PolarHBondContact NZ-OE1 3.36Å
162A94.1Very high92.2Very high3 Ų326.9 Ų26.93%0.02514%0.144CC..Hα-helixtrans-66.6-40.6-177.300000113Y123 L158 M159 I160 S166Y123-A162 HydrophobicContact CD1-CB 3.66Å; Y123-A162 HydrophobicContact CE1-CB 4.38Å; Y123-A162 HydrophobicContact CG-CB 4.21Å; L158-A162 WeakPolarHBondContact O-CB 3.33Å; L158-A162 PolarHBondContact O-N 3Å; M159-A162 PolarHBondContact O-N 3.19Å; I160-A162 PolarHBondContact O-N 3.4Å; A162-S166 VanDerWaalsContact O-CB 3.31Å; A162-S166 WeakPolarHBondContact O-CB 3.26Å; A162-S166 PolarHBondContact O-N 3.35Å; A162-S166 VanDerWaalsContact O-N 3.1Å; A162-S166 PolarHBondContact O-OG 2.94Å
163C95.3Very high91.6Very high51 Ų5129.7 Ų29.735%0.34515%0.154SC..Hα-helixtrans-67.3-47.7175.1-72.10000111.3M159 S166 I167M159-C163 WeakPolarHBondContact O-CB 3.45Å; M159-C163 PolarHBondContact O-N 3.17Å; M159-C163 PolarHBondContact O-SG 3.44Å; M159-C163 VanDerWaalsContact O-SG 3.35Å; C163-S166 PolarHBondContact O-N 2.99Å; C163-I167 WeakPolarHBondContact O-CD1 3.39Å; C163-I167 VanDerWaalsContact O-CG1 3.24Å; C163-I167 WeakPolarHBondContact O-CG1 3.44Å; C163-I167 PolarHBondContact O-N 3.23Å
164A94.1Very high90.9Very high0 Ų035 Ų350%018%0.177CC..Hα-helixtrans-60-48.6178.600000111.8I160 K161 S166 I167 S168 T195 L198 Q199I160-A164 VanDerWaalsContact O-CB 3.23Å; I160-A164 WeakPolarHBondContact O-CB 3.35Å; I160-A164 PolarHBondContact O-N 3.23Å; K161-A164 PolarHBondContact O-N 3.42Å; A164-S166 VanDerWaalsContact C-N 3.33Å; A164-S166 PolarHBondContact O-N 3.49Å; A164-I167 PolarHBondContact O-N 3.3Å; A164-S168 PolarHBondContact O-N 2.95Å; A164-S168 PolarHBondContact O-OG 3.19Å; A164-T195 HydrophobicContact CB-CG2 4.23Å; A164-T195 WeakPolarHBondContact O-CG2 3.37Å; A164-L198 HydrophobicContact CB-CB 4.01Å; A164-L198 HydrophobicContact CB-CD2 4.06Å; A164-L198 HydrophobicContact CB-CG 3.93Å; A164-Q199 HydrophobicContact CB-CB 3.93Å
165W92.3Very high90.3Very high24 Ų2437.2 Ų37.29%0.09119%0.188CC..Hα-helixtrans-58.4-45176.6-173.295.3000111.8F119 L120 Y123 K161 I167 S168 Y169F119-W165 HydrophobicContact CB-CE3 4.36Å; F119-W165 HydrophobicContact CB-CH2 3.23Å; F119-W165 HydrophobicContact CB-CZ2 3.35Å; F119-W165 HydrophobicContact CB-CZ3 3.76Å; F119-W165 HydrophobicContact CD2-CZ2 4.03Å; F119-W165 HydrophobicContact CG-CH2 4.17Å; F119-W165 AromaticContact CG-CZ2 3.77Å; F119-W165 HydrophobicContact CG-CZ2 3.77Å; L120-W165 HydrophobicContact CB-CZ3 4.36Å; Y123-W165 HydrophobicContact CD2-CB 4.27Å; Y123-W165 AromaticContact CD2-CD2 3.61Å; Y123-W165 HydrophobicContact CD2-CD2 3.61Å; Y123-W165 AromaticContact CD2-CE3 3.42Å; Y123-W165 HydrophobicContact CD2-CE3 3.42Å; Y123-W165 VanDerWaalsContact CD2-CE3 3.42Å; Y123-W165 AromaticContact CD2-CG 3.96Å; Y123-W165 HydrophobicContact CD2-CG 3.96Å; Y123-W165 HydrophobicContact CD2-CZ3 4.13Å; Y123-W165 HydrophobicContact CE2-CB 3.94Å; Y123-W165 AromaticContact CE2-CD1 3.94Å; Y123-W165 AromaticContact CE2-CD2 3.46Å; Y123-W165 HydrophobicContact CE2-CD2 3.46Å; Y123-W165 VanDerWaalsContact CE2-CD2 3.46Å; Y123-W165 AromaticContact CE2-CE3 3.82Å; Y123-W165 HydrophobicContact CE2-CE3 3.82Å; Y123-W165 AromaticContact CE2-CG 3.47Å; Y123-W165 HydrophobicContact CE2-CG 3.47Å; Y123-W165 VanDerWaalsContact CE2-CG 3.47Å; Y123-W165 HydrophobicContact CG-CE3 4.48Å; K161-W165 WeakPolarHBondContact O-CB 3.36Å; K161-W165 PolarHBondContact O-N 2.89Å; W165-I167 PolarHBondContact O-N 2.97Å; W165-S168 PolarHBondContact O-N 2.9Å; W165-Y169 AromaticContact CH2-CD2 3.77Å; W165-Y169 HydrophobicContact CH2-CD2 3.77Å; W165-Y169 AromaticContact CH2-CG 3.76Å; W165-Y169 HydrophobicContact CH2-CG 3.76Å; W165-Y169 HydrophobicContact CZ2-CD2 4.4Å; W165-Y169 HydrophobicContact CZ3-CD1 4.43Å; W165-Y169 HydrophobicContact CZ3-CD2 4.36Å; W165-Y169 AromaticContact CZ3-CG 3.87Å; W165-Y169 HydrophobicContact CZ3-CG 3.87Å; W165-Y169 WeakPolarHBondContact O-CB 3.48Å; W165-Y169 PolarHBondContact O-N 2.8Å
166S92.4Very high89.3Confident19 Ų1940.7 Ų40.713%0.13321%0.207CC..Hα-helixtrans-63.8-40.2179.3-58.80000112.6A162 C163 A164 Y169 I170A162-S166 VanDerWaalsContact O-CB 3.31Å; A162-S166 WeakPolarHBondContact O-CB 3.26Å; A162-S166 PolarHBondContact O-N 3.35Å; A162-S166 VanDerWaalsContact O-N 3.1Å; A162-S166 PolarHBondContact O-OG 2.94Å; C163-S166 PolarHBondContact O-N 2.99Å; A164-S166 VanDerWaalsContact C-N 3.33Å; A164-S166 PolarHBondContact O-N 3.49Å; S166-Y169 PolarHBondContact O-N 3.35Å; S166-I170 WeakPolarHBondContact O-CD1 3.2Å; S166-I170 VanDerWaalsContact O-CG1 3.27Å; S166-I170 WeakPolarHBondContact O-CG1 3.17Å; S166-I170 PolarHBondContact O-N 2.58Å
167I91.8Very high88.1Confident86 Ų8638.7 Ų38.744%0.44120%0.195SC..Hα-helixtrans-64.9-50.1175.9-67.8162.8000109.8C163 A164 W165 Y169 I170 F171 T195C163-I167 WeakPolarHBondContact O-CD1 3.39Å; C163-I167 VanDerWaalsContact O-CG1 3.24Å; C163-I167 WeakPolarHBondContact O-CG1 3.44Å; C163-I167 PolarHBondContact O-N 3.23Å; A164-I167 PolarHBondContact O-N 3.3Å; W165-I167 PolarHBondContact O-N 2.97Å; I167-Y169 VanDerWaalsContact C-N 3.27Å; I167-Y169 PolarHBondContact O-N 2.81Å; I167-I170 PolarHBondContact O-N 3.12Å; I167-F171 VanDerWaalsContact O-CB 3.29Å; I167-F171 WeakPolarHBondContact O-CB 3.47Å; I167-F171 PolarHBondContact O-N 3.09Å; I167-T195 HydrophobicContact CB-CG2 3.84Å; I167-T195 HydrophobicContact CG2-CG2 3.77Å
168S88Confident86.9Confident10 Ų1041.8 Ų41.87%0.0721%0.211CC..Hα-helixtrans-55.9-42.3175.9-71.70000111.9A164 W165 V172 T195A164-S168 PolarHBondContact O-N 2.95Å; A164-S168 PolarHBondContact O-OG 3.19Å; W165-S168 PolarHBondContact O-N 2.9Å; S168-V172 VanDerWaalsContact O-CB 3.24Å; S168-V172 WeakPolarHBondContact O-CB 3.43Å; S168-V172 VanDerWaalsContact O-CG2 3.23Å; S168-V172 WeakPolarHBondContact O-CG2 3.24Å; S168-V172 PolarHBondContact O-N 2.91Å; S168-T195 WeakPolarHBondContact OG-CB 3.28Å; S168-T195 WeakPolarHBondContact OG-CG2 3.34Å
169Y86.7Confident86.1Confident25 Ų2548.8 Ų48.810%0.09824%0.244CC..Hα-helixtrans-62.7-51.1177.3173.2-97.8000112.5R116 L120 W165 S166 I167 F171 V172 E173R116-Y169 HydrophobicContact CB-CE2 3.77Å; R116-Y169 HydrophobicContact CG-CD2 4.46Å; R116-Y169 HydrophobicContact CG-CE2 3.68Å; L120-Y169 HydrophobicContact CD1-CD1 4.01Å; L120-Y169 HydrophobicContact CD1-CE1 4.29Å; L120-Y169 HydrophobicContact CD2-CD1 4.44Å; L120-Y169 HydrophobicContact CD2-CE1 3.87Å; L120-Y169 HydrophobicContact CG-CE1 4.47Å; W165-Y169 AromaticContact CH2-CD2 3.77Å; W165-Y169 HydrophobicContact CH2-CD2 3.77Å; W165-Y169 AromaticContact CH2-CG 3.76Å; W165-Y169 HydrophobicContact CH2-CG 3.76Å; W165-Y169 HydrophobicContact CZ2-CD2 4.4Å; W165-Y169 HydrophobicContact CZ3-CD1 4.43Å; W165-Y169 HydrophobicContact CZ3-CD2 4.36Å; W165-Y169 AromaticContact CZ3-CG 3.87Å; W165-Y169 HydrophobicContact CZ3-CG 3.87Å; W165-Y169 WeakPolarHBondContact O-CB 3.48Å; W165-Y169 PolarHBondContact O-N 2.8Å; S166-Y169 PolarHBondContact O-N 3.35Å; I167-Y169 VanDerWaalsContact C-N 3.27Å; I167-Y169 PolarHBondContact O-N 2.81Å; Y169-F171 VanDerWaalsContact C-N 3.3Å; Y169-F171 PolarHBondContact O-N 2.98Å; Y169-V172 PolarHBondContact O-N 3.06Å; Y169-E173 HydrophobicContact CE2-CB 4.49Å; Y169-E173 WeakPolarHBondContact O-CB 3.23Å; Y169-E173 PolarHBondContact O-N 3.21Å
170I87.3Confident85.3Confident86 Ų8650.8 Ų50.844%0.44125%0.251SS..Hα-helixtrans-59.7-45.1179.3-69.9165.3000110S166 I167 V172 E173 F174S166-I170 WeakPolarHBondContact O-CD1 3.2Å; S166-I170 VanDerWaalsContact O-CG1 3.27Å; S166-I170 WeakPolarHBondContact O-CG1 3.17Å; S166-I170 PolarHBondContact O-N 2.58Å; I167-I170 PolarHBondContact O-N 3.12Å; I170-V172 VanDerWaalsContact C-N 3.34Å; I170-V172 PolarHBondContact O-N 3.17Å; I170-E173 PolarHBondContact O-N 2.97Å; I170-F174 HydrophobicContact CB-CD2 4.43Å; I170-F174 HydrophobicContact CG2-CD2 3.87Å; I170-F174 HydrophobicContact CG2-CE2 4.46Å; I170-F174 WeakPolarHBondContact O-CB 3.48Å; I170-F174 WeakPolarHBondContact O-CD2 3.37Å; I170-F174 PolarHBondContact O-N 3.33Å
171F84.8Confident84.6Confident29 Ų2957 Ų5713%0.12728%0.277CS..Hα-helixtrans-59.6-44.2178.6-153.7-97.9000111.8I167 Y169 E173 I175 I188 L191 L192I167-F171 VanDerWaalsContact O-CB 3.29Å; I167-F171 WeakPolarHBondContact O-CB 3.47Å; I167-F171 PolarHBondContact O-N 3.09Å; Y169-F171 VanDerWaalsContact C-N 3.3Å; Y169-F171 PolarHBondContact O-N 2.98Å; F171-E173 PolarHBondContact O-N 2.98Å; F171-I175 HydrophobicContact CD1-CD1 4.23Å; F171-I175 HydrophobicContact CD2-CD1 3.38Å; F171-I175 HydrophobicContact CE1-CD1 4.27Å; F171-I175 HydrophobicContact CE2-CD1 3.39Å; F171-I175 HydrophobicContact CG-CD1 3.82Å; F171-I175 HydrophobicContact CZ-CD1 3.87Å; F171-I175 VanDerWaalsContact O-CB 3.3Å; F171-I175 WeakPolarHBondContact O-CB 3.31Å; F171-I175 PolarHBondContact O-N 3.11Å; F171-I188 HydrophobicContact CE1-CB 4.32Å; F171-I188 HydrophobicContact CE1-CG2 3.45Å; F171-I188 VanDerWaalsContact CE1-CG2 3.45Å; F171-I188 VanDerWaalsContact CE1-O 3.26Å; F171-I188 WeakPolarHBondContact CE1-O 3.44Å; F171-I188 HydrophobicContact CZ-CB 4.15Å; F171-I188 HydrophobicContact CZ-CG1 4.3Å; F171-I188 HydrophobicContact CZ-CG2 3.69Å; F171-L191 HydrophobicContact CE2-CD2 3.7Å; F171-L191 HydrophobicContact CE2-CG 4.28Å; F171-L191 HydrophobicContact CZ-CB 4.29Å; F171-L191 HydrophobicContact CZ-CD2 4Å; F171-L191 HydrophobicContact CZ-CG 4.33Å; F171-L192 HydrophobicContact CB-CD1 4.42Å; F171-L192 HydrophobicContact CD1-CB 3.95Å; F171-L192 HydrophobicContact CD1-CD1 4.14Å; F171-L192 HydrophobicContact CD1-CD2 4.34Å; F171-L192 HydrophobicContact CD1-CG 4.37Å; F171-L192 HydrophobicContact CE1-CB 3.98Å
172V80.6Confident83.9Confident16 Ų1662.7 Ų62.710%0.09731%0.308CS..Hα-helixtrans-76.6-15-179.4164.60000114.2M1 L4 S168 Y169 I170 L192M1-V172 HydrophobicContact CG-CG1 4.02Å; M1-V172 HydrophobicContact SD-CG1 3.85Å; L4-V172 HydrophobicContact CD1-CB 4.33Å; L4-V172 HydrophobicContact CD1-CG1 3.98Å; L4-V172 WeakPolarHBondContact CD1-O 3.32Å; S168-V172 VanDerWaalsContact O-CB 3.24Å; S168-V172 WeakPolarHBondContact O-CB 3.43Å; S168-V172 VanDerWaalsContact O-CG2 3.23Å; S168-V172 WeakPolarHBondContact O-CG2 3.24Å; S168-V172 PolarHBondContact O-N 2.91Å; Y169-V172 PolarHBondContact O-N 3.06Å; I170-V172 VanDerWaalsContact C-N 3.34Å; I170-V172 PolarHBondContact O-N 3.17Å; V172-L192 HydrophobicContact CG2-CD1 3.93Å; V172-L192 HydrophobicContact CG2-CD2 3.55Å; V172-L192 HydrophobicContact CG2-CG 4.42Å
173E81.1Confident83.2Confident83 Ų8368.9 Ų68.939%0.38834%0.34SS..Hα-helixtrans-104.3-34-179.9-161.969.3173.900113.1R116 Y169 I170 F171R116-E173 IonicContact CZ-OE1 2.66Å; R116-E173 IonicContact CZ-OE2 2.77Å; R116-E173 IonicContact NH1-OE1 3.01Å; R116-E173 PolarHBondContact NH1-OE1 3.02Å; R116-E173 IonicContact NH1-OE2 2.65Å; R116-E173 PolarHBondContact NH1-OE2 3.15Å; Y169-E173 HydrophobicContact CE2-CB 4.49Å; Y169-E173 WeakPolarHBondContact O-CB 3.23Å; Y169-E173 PolarHBondContact O-N 3.21Å; I170-E173 PolarHBondContact O-N 2.97Å; F171-E173 PolarHBondContact O-N 2.98Å
174F82Confident82.6Confident160 Ų16069.4 Ų69.470%0.70234%0.342SS*.Hα-helixtrans-99.7-14.6-175.9-70-83000114.8I170I170-F174 HydrophobicContact CB-CD2 4.43Å; I170-F174 HydrophobicContact CG2-CD2 3.87Å; I170-F174 HydrophobicContact CG2-CE2 4.46Å; I170-F174 WeakPolarHBondContact O-CB 3.48Å; I170-F174 WeakPolarHBondContact O-CD2 3.37Å; I170-F174 PolarHBondContact O-N 3.33Å
175I79.7Confident82Confident46 Ų4671 Ų7124%0.23635%0.349CS..  trans-109.7106-178.4-52.1-179.1000109.6F171 I177 F180 I188F171-I175 HydrophobicContact CD1-CD1 4.23Å; F171-I175 HydrophobicContact CD2-CD1 3.38Å; F171-I175 HydrophobicContact CE1-CD1 4.27Å; F171-I175 HydrophobicContact CE2-CD1 3.39Å; F171-I175 HydrophobicContact CG-CD1 3.82Å; F171-I175 HydrophobicContact CZ-CD1 3.87Å; F171-I175 VanDerWaalsContact O-CB 3.3Å; F171-I175 WeakPolarHBondContact O-CB 3.31Å; F171-I175 PolarHBondContact O-N 3.11Å; I175-I177 HydrophobicContact CG2-CG1 4.32Å; I175-I177 PolarHBondContact O-N 3.32Å; I175-I177 VanDerWaalsContact O-N 3.16Å; I175-F180 HydrophobicContact CG2-CD2 4.43Å; I175-F180 HydrophobicContact CG2-CE2 3.69Å; I175-F180 HydrophobicContact CG2-CZ 4.38Å; I175-I188 HydrophobicContact CG2-CD1 4.37Å
176D74.3Confident81.4Confident73 Ų7373.6 Ų73.639%0.3936%0.364SS..  trans-77.697.7164.2-172.70.8000109.1N178 Q179 F180D176-N178 PolarHBondContact O-N 2.96Å; D176-N178 WeakPolarHBondContact OD1-CB 3.47Å; D176-N178 PolarHBondContact OD1-N 3.46Å; D176-N178 PolarHBondContact OD1-ND2 2.85Å; D176-Q179 HydrophobicContact CB-CG 4.16Å; D176-Q179 PolarHBondContact O-N 3.08Å; D176-Q179 VanDerWaalsContact O-N 3.1Å; D176-F180 WeakPolarHBondContact O-CD2 3.26Å
177I71.6Confident81.1Confident1 Ų177.3 Ų77.31%0.00539%0.386CS..G310 helixtrans-58-22.5-176.7-56-177000111.7L4 I8 I175 Q179 F180 K185 I188 F262L4-I177 HydrophobicContact CD2-CB 4.17Å; L4-I177 HydrophobicContact CD2-CD1 4.01Å; L4-I177 HydrophobicContact CD2-CG1 3.93Å; I8-I177 HydrophobicContact CD1-CB 3.94Å; I8-I177 HydrophobicContact CD1-CD1 4.01Å; I8-I177 HydrophobicContact CD1-CG2 3.78Å; I175-I177 HydrophobicContact CG2-CG1 4.32Å; I175-I177 PolarHBondContact O-N 3.32Å; I175-I177 VanDerWaalsContact O-N 3.16Å; I177-Q179 VanDerWaalsContact C-N 3.26Å; I177-Q179 PolarHBondContact O-N 2.99Å; I177-F180 PolarHBondContact O-N 3.37Å; I177-K185 HydrophobicContact CG2-CB 4.2Å; I177-K185 HydrophobicContact CG2-CD 4.07Å; I177-K185 HydrophobicContact CG2-CG 3.65Å; I177-I188 HydrophobicContact CD1-CG2 3.88Å; I177-I188 HydrophobicContact CG1-CG2 3.83Å; I177-I188 HydrophobicContact CG2-CG2 4.16Å; I177-F262 HydrophobicContact CD1-CE1 4.15Å; I177-F262 HydrophobicContact CD1-CZ 3.62Å
178N69.7Low80.7Confident64 Ų6474.1 Ų74.134%0.34237%0.37SS..G310 helixtrans-75.8-10.5-179-54.8-53.1000114N7 D176 F180N7-N178 PolarHBondContact ND2-ND2 2.91Å; D176-N178 PolarHBondContact O-N 2.96Å; D176-N178 WeakPolarHBondContact OD1-CB 3.47Å; D176-N178 PolarHBondContact OD1-N 3.46Å; D176-N178 PolarHBondContact OD1-ND2 2.85Å; N178-F180 VanDerWaalsContact C-N 3.28Å
179Q77.6Confident80.4Confident156 Ų15674 Ų7473%0.72937%0.368SS*.G310 helixtrans-82.5-5.6174.9-60.5-173.75.800113.1D176 I177D176-Q179 HydrophobicContact CB-CG 4.16Å; D176-Q179 PolarHBondContact O-N 3.08Å; D176-Q179 VanDerWaalsContact O-N 3.1Å; I177-Q179 VanDerWaalsContact C-N 3.26Å; I177-Q179 PolarHBondContact O-N 2.99Å
180F79Confident80.4Confident89 Ų8975.4 Ų75.439%0.3938%0.377SS..SBendtrans-108.3145.4-174.2-62.5-84.5000112.2I175 D176 I177 N178 T184 I188I175-F180 HydrophobicContact CG2-CD2 4.43Å; I175-F180 HydrophobicContact CG2-CE2 3.69Å; I175-F180 HydrophobicContact CG2-CZ 4.38Å; D176-F180 WeakPolarHBondContact O-CD2 3.26Å; I177-F180 PolarHBondContact O-N 3.37Å; N178-F180 VanDerWaalsContact C-N 3.28Å; F180-T184 HydrophobicContact CB-CG2 4.05Å; F180-T184 HydrophobicContact CD1-CG2 3.72Å; F180-T184 HydrophobicContact CG-CG2 4.14Å; F180-I188 HydrophobicContact CB-CD1 4.3Å; F180-I188 HydrophobicContact CD1-CD1 4.12Å; F180-I188 HydrophobicContact CD2-CD1 3.75Å; F180-I188 HydrophobicContact CE1-CD1 4.4Å; F180-I188 HydrophobicContact CE2-CD1 4.07Å; F180-I188 HydrophobicContact CG-CD1 3.78Å; F180-I188 HydrophobicContact CZ-CD1 4.38Å
181K81.1Confident80.5Confident171 Ų17175.6 Ų75.674%0.74338%0.379SS*.  trans-60.1155171.1-66.8-175.3176.5-175.80111.3D183 T184 K185K181-D183 PolarHBondContact O-N 3.07Å; K181-T184 CarbonylContact O-C 3.59Å; K181-T184 WeakPolarHBondContact O-CA 3.32Å; K181-T184 WeakPolarHBondContact O-CB 3.5Å; K181-T184 PolarHBondContact O-N 3.46Å; K181-K185 PolarHBondContact O-N 3.12Å
182D78.2Confident80.6Confident125 Ų12574.5 Ų74.567%0.66838%0.375SS*.Hα-helixtrans-54.5-41.7-171.5-66.3-54.5000114.7T184 K185 L186D182-T184 VanDerWaalsContact C-N 3.32Å; D182-T184 PolarHBondContact O-N 2.91Å; D182-K185 WeakPolarHBondContact O-CB 3.29Å; D182-K185 PolarHBondContact O-N 3.1Å; D182-L186 PolarHBondContact O-N 3.47Å
183D79.8Confident81.1Confident132 Ų13273.9 Ų73.971%0.70637%0.37SS*.Hα-helixtrans-61.3-41.1176.6-58.6-44.9000112.4K181 T187K181-D183 PolarHBondContact O-N 3.07Å; D183-T187 PolarHBondContact O-N 3.3Å; D183-T187 VanDerWaalsContact O-N 3.12Å; D183-T187 PolarHBondContact O-OG1 2.95Å
184T82.5Confident81.5Confident63 Ų6375 Ų7539%0.38738%0.378SS..Hα-helixtrans-72.2-39.3177-51.40000110.6F180 K181 D182 L186 T187 I188F180-T184 HydrophobicContact CB-CG2 4.05Å; F180-T184 HydrophobicContact CD1-CG2 3.72Å; F180-T184 HydrophobicContact CG-CG2 4.14Å; K181-T184 CarbonylContact O-C 3.59Å; K181-T184 WeakPolarHBondContact O-CA 3.32Å; K181-T184 WeakPolarHBondContact O-CB 3.5Å; K181-T184 PolarHBondContact O-N 3.46Å; D182-T184 VanDerWaalsContact C-N 3.32Å; D182-T184 PolarHBondContact O-N 2.91Å; T184-L186 PolarHBondContact O-N 2.92Å; T184-T187 PolarHBondContact O-N 2.79Å; T184-I188 HydrophobicContact CG2-CD1 3.9Å; T184-I188 HydrophobicContact CG2-CG1 4.41Å; T184-I188 WeakPolarHBondContact O-CB 3.41Å; T184-I188 VanDerWaalsContact O-CG1 3.25Å; T184-I188 WeakPolarHBondContact O-CG1 3.42Å; T184-I188 PolarHBondContact O-N 3.35Å
185K80.7Confident82Confident34 Ų3467.9 Ų67.915%0.14835%0.348CS..Hα-helixtrans-59-42.3173.6169.7165.3-177.6175.90112I177 K181 D182 I188 N189I177-K185 HydrophobicContact CG2-CB 4.2Å; I177-K185 HydrophobicContact CG2-CD 4.07Å; I177-K185 HydrophobicContact CG2-CG 3.65Å; K181-K185 PolarHBondContact O-N 3.12Å; D182-K185 WeakPolarHBondContact O-CB 3.29Å; D182-K185 PolarHBondContact O-N 3.1Å; K185-I188 PolarHBondContact O-N 3.02Å; K185-N189 WeakPolarHBondContact O-CB 3.35Å; K185-N189 PolarHBondContact O-N 2.94Å
186L81.5Confident82.4Confident78 Ų7866.4 Ų66.441%0.40834%0.34SS..Hα-helixtrans-65-43.3174-179.959.4000112D182 T184 I188 N189 N190D182-L186 PolarHBondContact O-N 3.47Å; T184-L186 PolarHBondContact O-N 2.92Å; L186-I188 PolarHBondContact O-N 3.33Å; L186-N189 PolarHBondContact O-N 2.83Å; L186-N190 PolarHBondContact O-N 2.94Å; L186-N190 PolarHBondContact O-ND2 3.25Å
187T84.2Confident83.2Confident96 Ų9663.4 Ų63.459%0.58933%0.325SS*.Hα-helixtrans-61.5-43.8177.2-56.90000111.8D183 T184 N190 L191D183-T187 PolarHBondContact O-N 3.3Å; D183-T187 VanDerWaalsContact O-N 3.12Å; D183-T187 PolarHBondContact O-OG1 2.95Å; T184-T187 PolarHBondContact O-N 2.79Å; T187-N190 PolarHBondContact O-N 3.33Å; T187-L191 PolarHBondContact O-N 2.99Å; T187-L191 VanDerWaalsContact O-N 3.11Å
188I83.3Confident84.2Confident20 Ų2066.9 Ų66.910%0.10334%0.343CS..Hα-helixtrans-61-45.6174.6-76.7172.9000110.9F171 I175 I177 F180 T184 K185 L186 L191 L192F171-I188 HydrophobicContact CE1-CB 4.32Å; F171-I188 HydrophobicContact CE1-CG2 3.45Å; F171-I188 VanDerWaalsContact CE1-CG2 3.45Å; F171-I188 VanDerWaalsContact CE1-O 3.26Å; F171-I188 WeakPolarHBondContact CE1-O 3.44Å; F171-I188 HydrophobicContact CZ-CB 4.15Å; F171-I188 HydrophobicContact CZ-CG1 4.3Å; F171-I188 HydrophobicContact CZ-CG2 3.69Å; I175-I188 HydrophobicContact CG2-CD1 4.37Å; I177-I188 HydrophobicContact CD1-CG2 3.88Å; I177-I188 HydrophobicContact CG1-CG2 3.83Å; I177-I188 HydrophobicContact CG2-CG2 4.16Å; F180-I188 HydrophobicContact CB-CD1 4.3Å; F180-I188 HydrophobicContact CD1-CD1 4.12Å; F180-I188 HydrophobicContact CD2-CD1 3.75Å; F180-I188 HydrophobicContact CE1-CD1 4.4Å; F180-I188 HydrophobicContact CE2-CD1 4.07Å; F180-I188 HydrophobicContact CG-CD1 3.78Å; F180-I188 HydrophobicContact CZ-CD1 4.38Å; T184-I188 HydrophobicContact CG2-CD1 3.9Å; T184-I188 HydrophobicContact CG2-CG1 4.41Å; T184-I188 WeakPolarHBondContact O-CB 3.41Å; T184-I188 VanDerWaalsContact O-CG1 3.25Å; T184-I188 WeakPolarHBondContact O-CG1 3.42Å; T184-I188 PolarHBondContact O-N 3.35Å; K185-I188 PolarHBondContact O-N 3.02Å; L186-I188 PolarHBondContact O-N 3.33Å; I188-L191 PolarHBondContact O-N 3.04Å; I188-L192 PolarHBondContact O-N 3.1Å; I188-L192 VanDerWaalsContact O-N 3.13Å
189N83.2Confident85.2Confident6 Ų666.2 Ų66.23%0.03234%0.338CS..Hα-helixtrans-61.5-47.8176.8-174.97.2000111.9K185 L186 L191 L192 N193 T260 F262K185-N189 WeakPolarHBondContact O-CB 3.35Å; K185-N189 PolarHBondContact O-N 2.94Å; L186-N189 PolarHBondContact O-N 2.83Å; N189-L191 VanDerWaalsContact C-N 3.29Å; N189-L191 PolarHBondContact O-N 2.89Å; N189-L192 PolarHBondContact O-N 3.18Å; N189-L192 VanDerWaalsContact O-N 3.08Å; N189-N193 PolarHBondContact O-N 2.99Å; N189-N193 PolarHBondContact OD1-ND2 3.24Å; N189-N193 VanDerWaalsContact OD1-ND2 3.14Å; N189-T260 PolarHBondContact ND2-O 3.38Å; N189-F262 HydrophobicContact CB-CE1 4.04Å; N189-F262 WeakPolarHBondContact OD1-CD1 3.4Å; N189-F262 WeakPolarHBondContact OD1-CE1 3.39Å
190N87.3Confident85.8Confident55 Ų5559.4 Ų59.429%0.29431%0.309SS..Hα-helixtrans-56.8-41.1177.2-73.2-28.8000112.4L186 T187 N193 I194L186-N190 PolarHBondContact O-N 2.94Å; L186-N190 PolarHBondContact O-ND2 3.25Å; T187-N190 PolarHBondContact O-N 3.33Å; N190-N193 PolarHBondContact O-N 3.29Å; N190-I194 VanDerWaalsContact O-CG1 3.27Å; N190-I194 WeakPolarHBondContact O-CG1 3.26Å; N190-I194 PolarHBondContact O-N 3.33Å
191L89Confident86.5Confident90 Ų9056.7 Ų56.747%0.47130%0.297SS..Hα-helixtrans-65.5-38.7176.6-177.658.1000112.7F171 T187 I188 N189 T195F171-L191 HydrophobicContact CE2-CD2 3.7Å; F171-L191 HydrophobicContact CE2-CG 4.28Å; F171-L191 HydrophobicContact CZ-CB 4.29Å; F171-L191 HydrophobicContact CZ-CD2 4Å; F171-L191 HydrophobicContact CZ-CG 4.33Å; T187-L191 PolarHBondContact O-N 2.99Å; T187-L191 VanDerWaalsContact O-N 3.11Å; I188-L191 PolarHBondContact O-N 3.04Å; N189-L191 VanDerWaalsContact C-N 3.29Å; N189-L191 PolarHBondContact O-N 2.89Å; L191-T195 PolarHBondContact O-N 3.5Å; L191-T195 VanDerWaalsContact O-N 3.12Å; L191-T195 PolarHBondContact O-OG1 2.85Å
192L87.3Confident87.1Confident7 Ų748.6 Ų48.64%0.03726%0.261CS..Hα-helixtrans-67.4-43.2174.9-17657000111.6F171 V172 I188 N189 I194 T195 I196 F262F171-L192 HydrophobicContact CB-CD1 4.42Å; F171-L192 HydrophobicContact CD1-CB 3.95Å; F171-L192 HydrophobicContact CD1-CD1 4.14Å; F171-L192 HydrophobicContact CD1-CD2 4.34Å; F171-L192 HydrophobicContact CD1-CG 4.37Å; F171-L192 HydrophobicContact CE1-CB 3.98Å; V172-L192 HydrophobicContact CG2-CD1 3.93Å; V172-L192 HydrophobicContact CG2-CD2 3.55Å; V172-L192 HydrophobicContact CG2-CG 4.42Å; I188-L192 PolarHBondContact O-N 3.1Å; I188-L192 VanDerWaalsContact O-N 3.13Å; N189-L192 PolarHBondContact O-N 3.18Å; N189-L192 VanDerWaalsContact O-N 3.08Å; L192-I194 PolarHBondContact O-N 3.49Å; L192-T195 WeakPolarHBondContact O-CA 3.49Å; L192-T195 WeakPolarHBondContact O-CB 3.34Å; L192-T195 PolarHBondContact O-N 3.11Å; L192-I196 HydrophobicContact CD1-CD1 4.46Å; L192-I196 HydrophobicContact CG-CD1 4.04Å; L192-I196 WeakPolarHBondContact O-CG1 3.38Å; L192-I196 PolarHBondContact O-N 3.07Å; L192-F262 HydrophobicContact CD2-CD1 3.73Å; L192-F262 HydrophobicContact CD2-CE1 3.71Å; L192-F262 HydrophobicContact CG-CD1 4.44Å
193N89.3Confident87.6Confident2 Ų243.5 Ų43.51%0.01124%0.235CC..Hα-helixtrans-62.2-39.2176.1-81.8-20.2000112.4N189 N190 T195 I196 S197 E261 W263N189-N193 PolarHBondContact O-N 2.99Å; N189-N193 PolarHBondContact OD1-ND2 3.24Å; N189-N193 VanDerWaalsContact OD1-ND2 3.14Å; N190-N193 PolarHBondContact O-N 3.29Å; N193-T195 VanDerWaalsContact C-N 3.31Å; N193-T195 PolarHBondContact O-N 2.92Å; N193-I196 PolarHBondContact O-N 3.21Å; N193-S197 PolarHBondContact O-N 3.15Å; N193-S197 PolarHBondContact O-OG 3.49Å; N193-E261 PolarHBondContact ND2-O 3.48Å; N193-W263 HydrophobicContact CB-CD2 3.84Å; N193-W263 HydrophobicContact CB-CE3 3.72Å; N193-W263 HydrophobicContact CB-CG 4.46Å; N193-W263 HydrophobicContact CB-CH2 4.12Å; N193-W263 HydrophobicContact CB-CZ2 4.21Å; N193-W263 HydrophobicContact CB-CZ3 3.86Å; N193-W263 PolarHBondContact OD1-N 3.32Å
194I91.3Very high88.1Confident107 Ų10737.2 Ų37.255%0.54920%0.202SC..Hα-helixtrans-58.4-44169.8-72.1163.9000110.9N190 L192 S197 L198N190-I194 VanDerWaalsContact O-CG1 3.27Å; N190-I194 WeakPolarHBondContact O-CG1 3.26Å; N190-I194 PolarHBondContact O-N 3.33Å; L192-I194 PolarHBondContact O-N 3.49Å; I194-S197 PolarHBondContact O-N 3Å; I194-L198 PolarHBondContact O-N 3.05Å
195T90.6Very high88.7Confident11 Ų1134.2 Ų34.27%0.06718%0.183CC..Hα-helixtrans-69.1-38.3-178.4-49.60000111.9A164 I167 S168 L191 L192 N193 L198 Q199A164-T195 HydrophobicContact CB-CG2 4.23Å; A164-T195 WeakPolarHBondContact O-CG2 3.37Å; I167-T195 HydrophobicContact CB-CG2 3.84Å; I167-T195 HydrophobicContact CG2-CG2 3.77Å; S168-T195 WeakPolarHBondContact OG-CB 3.28Å; S168-T195 WeakPolarHBondContact OG-CG2 3.34Å; L191-T195 PolarHBondContact O-N 3.5Å; L191-T195 VanDerWaalsContact O-N 3.12Å; L191-T195 PolarHBondContact O-OG1 2.85Å; L192-T195 WeakPolarHBondContact O-CA 3.49Å; L192-T195 WeakPolarHBondContact O-CB 3.34Å; L192-T195 PolarHBondContact O-N 3.11Å; N193-T195 VanDerWaalsContact C-N 3.31Å; N193-T195 PolarHBondContact O-N 2.92Å; T195-L198 PolarHBondContact O-N 3.5Å; T195-Q199 PolarHBondContact O-N 3.05Å
196I88.1Confident89.3Confident14 Ų1432.8 Ų32.87%0.07218%0.178CC..Hα-helixtrans-62-42.6171.2-68.5163.6000111L192 N193 L198 Q199 A200 L264L192-I196 HydrophobicContact CD1-CD1 4.46Å; L192-I196 HydrophobicContact CG-CD1 4.04Å; L192-I196 WeakPolarHBondContact O-CG1 3.38Å; L192-I196 PolarHBondContact O-N 3.07Å; N193-I196 PolarHBondContact O-N 3.21Å; I196-L198 VanDerWaalsContact C-N 3.35Å; I196-Q199 PolarHBondContact O-N 3.33Å; I196-A200 PolarHBondContact O-N 2.87Å; I196-L264 HydrophobicContact CD1-CB 4.13Å
197S91.6Very high89.7Confident11 Ų1129.9 Ų29.98%0.07716%0.162CC..Hα-helixtrans-63.7-37.8173.6-75.90000112.6N193 I194 A200 F201 T251 W263N193-S197 PolarHBondContact O-N 3.15Å; N193-S197 PolarHBondContact O-OG 3.49Å; I194-S197 PolarHBondContact O-N 3Å; S197-A200 PolarHBondContact O-N 3.46Å; S197-F201 WeakPolarHBondContact O-CB 3.4Å; S197-F201 PolarHBondContact O-N 3.37Å; S197-T251 PolarHBondContact OG-OG1 3.37Å; S197-W263 WeakPolarHBondContact OG-CZ3 3.3Å
198L93.6Very high90.1Very high74 Ų7425.3 Ų25.339%0.38713%0.133SC..Hα-helixtrans-67.5-37.6175.9-172.364.2000112.4I160 A164 I194 T195 I196 F201 G202I160-L198 HydrophobicContact CG2-CD1 3.6Å; I160-L198 HydrophobicContact CG2-CD2 4.46Å; I160-L198 HydrophobicContact CG2-CG 3.78Å; A164-L198 HydrophobicContact CB-CB 4.01Å; A164-L198 HydrophobicContact CB-CD2 4.06Å; A164-L198 HydrophobicContact CB-CG 3.93Å; I194-L198 PolarHBondContact O-N 3.05Å; T195-L198 PolarHBondContact O-N 3.5Å; I196-L198 VanDerWaalsContact C-N 3.35Å; L198-F201 HydrophobicContact CD1-CD1 4.24Å; L198-F201 PolarHBondContact O-N 3.45Å; L198-G202 PolarHBondContact O-N 3.07Å
199Q90.3Very high90.7Very high50 Ų5024.3 Ų24.323%0.23413%0.129CC..Hα-helixtrans-61.2-46.5171.6179.5-173.8-41.900110.8A164 T195 I196 G202 S203A164-Q199 HydrophobicContact CB-CB 3.93Å; T195-Q199 PolarHBondContact O-N 3.05Å; I196-Q199 PolarHBondContact O-N 3.33Å; Q199-G202 PolarHBondContact O-N 3.2Å; Q199-S203 PolarHBondContact O-N 3.36Å; Q199-S203 PolarHBondContact O-OG 3.35Å
200A89.3Confident90.9Very high13 Ų1324.7 Ų24.711%0.10713%0.13CC..Hα-helixtrans-63.4-40.4178.300000112.6I196 S197 S203 L204 I247 I273I196-A200 PolarHBondContact O-N 2.87Å; S197-A200 PolarHBondContact O-N 3.46Å; A200-S203 PolarHBondContact O-N 3.12Å; A200-L204 PolarHBondContact O-N 2.89Å; A200-I247 HydrophobicContact CB-CD1 3.82Å; A200-I273 HydrophobicContact CB-CD1 3.89Å
201F94.2Very high91.1Very high32 Ų3223.5 Ų23.514%0.1412%0.122CC..Hα-helixtrans-60.9-47.4171.3172.2-98.2000112.6I160 S197 L198 S203 L204 A205 W240 P243 T244 I247I160-F201 HydrophobicContact CD1-CE1 4.28Å; I160-F201 HydrophobicContact CG2-CD1 4.23Å; S197-F201 WeakPolarHBondContact O-CB 3.4Å; S197-F201 PolarHBondContact O-N 3.37Å; L198-F201 HydrophobicContact CD1-CD1 4.24Å; L198-F201 PolarHBondContact O-N 3.45Å; F201-S203 VanDerWaalsContact C-N 3.34Å; F201-S203 PolarHBondContact O-N 3.07Å; F201-L204 PolarHBondContact O-N 3.37Å; F201-A205 WeakPolarHBondContact O-CB 3.4Å; F201-A205 PolarHBondContact O-N 3.31Å; F201-W240 HydrophobicContact CE1-CE3 4.1Å; F201-W240 AromaticContact CE1-CZ3 3.98Å; F201-W240 HydrophobicContact CE1-CZ3 3.98Å; F201-W240 AromaticContact CZ-CE3 3.62Å; F201-W240 HydrophobicContact CZ-CE3 3.62Å; F201-W240 AromaticContact CZ-CZ3 3.99Å; F201-W240 HydrophobicContact CZ-CZ3 3.99Å; F201-P243 HydrophobicContact CD2-CB 3.84Å; F201-P243 HydrophobicContact CE2-CB 3.83Å; F201-T244 WeakPolarHBondContact CE2-OG1 3.2Å; F201-I247 HydrophobicContact CB-CG1 4.17Å; F201-I247 HydrophobicContact CB-CG2 4.24Å
202G93Very high91.3Very high0 Ų019.2 Ų19.20%010%0.1CC..Hα-helixtrans-57.1-46.9174.600000111.9L198 Q199 A205 I206L198-G202 PolarHBondContact O-N 3.07Å; Q199-G202 PolarHBondContact O-N 3.2Å; G202-A205 PolarHBondContact O-N 3.11Å; G202-I206 WeakPolarHBondContact O-CD1 3.47Å; G202-I206 VanDerWaalsContact O-CG1 3.24Å; G202-I206 WeakPolarHBondContact O-CG1 3.22Å; G202-I206 PolarHBondContact O-N 3.3Å
203S89.4Confident91.4Very high18 Ų1819.7 Ų19.713%0.12610%0.102CC..Hα-helixtrans-59.1-49.7176.7-65.10000112.9K161 Q199 A200 F201 I206 F207K161-S203 WeakPolarHBondContact CE-OG 3.49Å; Q199-S203 PolarHBondContact O-N 3.36Å; Q199-S203 PolarHBondContact O-OG 3.35Å; A200-S203 PolarHBondContact O-N 3.12Å; F201-S203 VanDerWaalsContact C-N 3.34Å; F201-S203 PolarHBondContact O-N 3.07Å; S203-I206 WeakPolarHBondContact O-CB 3.35Å; S203-I206 PolarHBondContact O-N 3.09Å; S203-F207 WeakPolarHBondContact O-CD2 3.13Å; S203-F207 PolarHBondContact O-N 3.23Å
204L91.1Very high91.4Very high0 Ų020.1 Ų20.10%011%0.107CC..Hα-helixtrans-68.6-37.6179.7-17655.7000112.3A200 F201 I206 F207 V208 P243 L246 I247 I273 P276A200-L204 PolarHBondContact O-N 2.89Å; F201-L204 PolarHBondContact O-N 3.37Å; L204-I206 VanDerWaalsContact C-N 3.28Å; L204-I206 PolarHBondContact O-N 3.5Å; L204-F207 PolarHBondContact O-N 2.94Å; L204-F207 VanDerWaalsContact O-N 3.16Å; L204-V208 PolarHBondContact O-N 3.05Å; L204-V208 VanDerWaalsContact O-N 3.12Å; L204-P243 HydrophobicContact CB-CB 4.36Å; L204-P243 HydrophobicContact CD2-CB 4.36Å; L204-P243 HydrophobicContact CG-CB 4.15Å; L204-P243 HydrophobicContact CG-CG 4.35Å; L204-L246 HydrophobicContact CD2-CB 3.8Å; L204-L246 HydrophobicContact CD2-CD1 3.87Å; L204-L246 HydrophobicContact CD2-CG 4.48Å; L204-I247 HydrophobicContact CD2-CD1 4.35Å; L204-I247 HydrophobicContact CD2-CG1 4.28Å; L204-I273 HydrophobicContact CB-CG2 4.32Å; L204-I273 HydrophobicContact CD1-CG2 4.49Å; L204-P276 HydrophobicContact CD1-CB 4.48Å
205A94.4Very high91.3Very high0 Ų017.1 Ų17.10%09%0.092CC..Hα-helixtrans-61.6-34.9175.100000112.5A157 F201 G202 V208 W209 W240 P243A157-A205 HydrophobicContact CB-CB 3.91Å; F201-A205 WeakPolarHBondContact O-CB 3.4Å; F201-A205 PolarHBondContact O-N 3.31Å; G202-A205 PolarHBondContact O-N 3.11Å; A205-V208 PolarHBondContact O-N 3.47Å; A205-W209 WeakPolarHBondContact O-CB 3.41Å; A205-W209 PolarHBondContact O-N 3.03Å; A205-W240 HydrophobicContact CB-CE3 4.14Å; A205-W240 HydrophobicContact CB-CZ3 3.76Å; A205-P243 HydrophobicContact CB-CB 4.18Å; A205-P243 HydrophobicContact CB-CG 3.97Å
206I92.5Very high91.3Very high5 Ų517.9 Ų17.93%0.0269%0.094CC..Hα-helixtrans-58.8-49.9172.3-68.1156.2000110.2L154 A157 L158 K161 G202 S203 L204 V208 W209 M210L154-I206 HydrophobicContact CD1-CG2 4.16Å; A157-I206 HydrophobicContact CB-CG1 3.87Å; L158-I206 HydrophobicContact CD2-CD1 3.63Å; L158-I206 HydrophobicContact CD2-CG1 4.04Å; L158-I206 HydrophobicContact CG-CD1 4.11Å; L158-I206 HydrophobicContact CG-CG1 4.08Å; K161-I206 HydrophobicContact CB-CD1 4.17Å; K161-I206 HydrophobicContact CD-CD1 3.62Å; G202-I206 WeakPolarHBondContact O-CD1 3.47Å; G202-I206 VanDerWaalsContact O-CG1 3.24Å; G202-I206 WeakPolarHBondContact O-CG1 3.22Å; G202-I206 PolarHBondContact O-N 3.3Å; S203-I206 WeakPolarHBondContact O-CB 3.35Å; S203-I206 PolarHBondContact O-N 3.09Å; L204-I206 VanDerWaalsContact C-N 3.28Å; L204-I206 PolarHBondContact O-N 3.5Å; I206-V208 PolarHBondContact O-N 3.09Å; I206-W209 PolarHBondContact O-N 3.47Å; I206-M210 HydrophobicContact CG2-CE 3.71Å; I206-M210 HydrophobicContact CG2-CG 4.31Å; I206-M210 HydrophobicContact CG2-SD 3.51Å; I206-M210 VanDerWaalsContact CG2-SD 3.51Å; I206-M210 WeakPolarHBondContact O-CB 3.42Å; I206-M210 WeakPolarHBondContact O-CG 3.35Å; I206-M210 PolarHBondContact O-N 2.89Å
207F90.7Very high91.3Very high16 Ų1620 Ų207%0.0711%0.105CC..Hα-helixtrans-56.8-43.5176.5-70.9-73.1000113.5S203 L204 M210 F211 A277 L280 E652S203-F207 WeakPolarHBondContact O-CD2 3.13Å; S203-F207 PolarHBondContact O-N 3.23Å; L204-F207 PolarHBondContact O-N 2.94Å; L204-F207 VanDerWaalsContact O-N 3.16Å; F207-M210 HydrophobicContact CD1-CE 3.7Å; F207-M210 HydrophobicContact CE1-CE 4.18Å; F207-M210 HydrophobicContact CG-CE 4.22Å; F207-F211 WeakPolarHBondContact O-CB 3.29Å; F207-F211 PolarHBondContact O-N 3.31Å; F207-A277 HydrophobicContact CD1-CB 4.24Å; F207-A277 HydrophobicContact CD2-CB 3.65Å; F207-A277 HydrophobicContact CE1-CB 4.29Å; F207-A277 HydrophobicContact CE2-CB 3.72Å; F207-A277 HydrophobicContact CG-CB 3.93Å; F207-A277 HydrophobicContact CZ-CB 4.04Å; F207-L280 HydrophobicContact CB-CB 4.38Å; F207-L280 HydrophobicContact CB-CD1 3.93Å; F207-E652 HydrophobicContact CE2-CG 4.32Å; F207-E652 HydrophobicContact CZ-CB 3.8Å; F207-E652 HydrophobicContact CZ-CG 3.87Å
208V93.6Very high91.1Very high0 Ų020.4 Ų20.40%011%0.107CC..Hα-helixtrans-71.6-39.5180-171.70000111.9L204 A205 I206 M210 F211 I212 L238 L242 P243 L280L204-V208 PolarHBondContact O-N 3.05Å; L204-V208 VanDerWaalsContact O-N 3.12Å; A205-V208 PolarHBondContact O-N 3.47Å; I206-V208 PolarHBondContact O-N 3.09Å; V208-M210 PolarHBondContact O-N 3.47Å; V208-F211 WeakPolarHBondContact O-CB 3.47Å; V208-F211 PolarHBondContact O-N 3.36Å; V208-I212 HydrophobicContact CG1-CD1 4.1Å; V208-I212 WeakPolarHBondContact O-CG1 3.23Å; V208-I212 PolarHBondContact O-N 2.64Å; V208-L238 HydrophobicContact CG1-CG 4.45Å; V208-L238 WeakPolarHBondContact CG1-O 3.15Å; V208-L242 HydrophobicContact CG1-CD2 4.5Å; V208-L242 HydrophobicContact CG2-CD2 3.98Å; V208-L242 HydrophobicContact CG2-CG 4.38Å; V208-P243 HydrophobicContact CB-CG 4.21Å; V208-P243 HydrophobicContact CG2-CG 3.81Å; V208-L280 HydrophobicContact CG2-CD1 3.65Å
209W94.4Very high90.9Very high0 Ų018.7 Ų18.70%010%0.098CC..Hα-helixtrans-67.9-34176.4-82.4106.2000113I150 H153 L154 A205 I206 I212 E213 F232 G239 W240I150-W209 HydrophobicContact CG1-CZ3 4.47Å; I150-W209 HydrophobicContact CG2-CE3 4.14Å; I150-W209 HydrophobicContact CG2-CZ3 4.38Å; H153-W209 HydrophobicContact CB-CD2 3.63Å; H153-W209 VanDerWaalsContact CB-CE2 3.49Å; H153-W209 HydrophobicContact CB-CE3 3.78Å; H153-W209 HydrophobicContact CB-CG 4.37Å; H153-W209 HydrophobicContact CB-CH2 3.76Å; H153-W209 HydrophobicContact CB-CZ2 3.6Å; H153-W209 HydrophobicContact CB-CZ3 3.84Å; H153-W209 AromaticContact CG-CH2 3.85Å; H153-W209 AromaticContact CG-CZ2 3.79Å; L154-W209 HydrophobicContact CB-CB 4.24Å; L154-W209 HydrophobicContact CD1-CB 4Å; A205-W209 WeakPolarHBondContact O-CB 3.41Å; A205-W209 PolarHBondContact O-N 3.03Å; I206-W209 PolarHBondContact O-N 3.47Å; W209-I212 HydrophobicContact CD2-CD1 4.4Å; W209-I212 HydrophobicContact CE3-CB 4.34Å; W209-I212 HydrophobicContact CE3-CD1 4.15Å; W209-I212 HydrophobicContact CE3-CG2 4.09Å; W209-I212 HydrophobicContact CH2-CD1 4.47Å; W209-I212 HydrophobicContact CZ3-CD1 4.21Å; W209-I212 HydrophobicContact CZ3-CG2 3.97Å; W209-I212 PolarHBondContact O-N 2.89Å; W209-E213 PolarHBondContact O-N 2.8Å; W209-F232 HydrophobicContact CH2-CE2 4.05Å; W209-F232 AromaticContact CH2-CZ 3.87Å; W209-F232 HydrophobicContact CH2-CZ 3.87Å; W209-F232 HydrophobicContact CZ3-CE2 4.26Å; W209-F232 HydrophobicContact CZ3-CZ 4.46Å; W209-G239 PolarHBondContact NE1-O 3.32Å; W209-W240 AromaticContact CE2-CE2 3.88Å; W209-W240 AromaticContact CE2-NE1 3.8Å; W209-W240 AromaticContact CZ2-CD1 3.72Å; W209-W240 AromaticContact CZ2-CE2 3.95Å; W209-W240 HydrophobicContact CZ2-CG 4.43Å; W209-W240 AromaticContact CZ2-NE1 3.36Å; W209-W240 AromaticContact NE1-CD2 3.64Å; W209-W240 AromaticContact NE1-CE2 3.34Å; W209-W240 VanDerWaalsContact NE1-CE2 3.34Å; W209-W240 AromaticContact NE1-CH2 3.9Å; W209-W240 AromaticContact NE1-CZ2 3.49Å; W209-W240 AromaticContact NE1-NE1 3.72Å
210M88.6Confident90.8Very high13 Ų1319 Ų196%0.06410%0.101CC..Hα-helixtrans-68.2-41.1172.2-65.6176.8-37.500111.7L154 I206 F207 V208 E213 G214 N284 L648L154-M210 HydrophobicContact CD1-CG 3.73Å; L154-M210 HydrophobicContact CD1-SD 4.49Å; L154-M210 HydrophobicContact CD2-CG 4.38Å; I206-M210 HydrophobicContact CG2-CE 3.71Å; I206-M210 HydrophobicContact CG2-CG 4.31Å; I206-M210 HydrophobicContact CG2-SD 3.51Å; I206-M210 VanDerWaalsContact CG2-SD 3.51Å; I206-M210 WeakPolarHBondContact O-CB 3.42Å; I206-M210 WeakPolarHBondContact O-CG 3.35Å; I206-M210 PolarHBondContact O-N 2.89Å; F207-M210 HydrophobicContact CD1-CE 3.7Å; F207-M210 HydrophobicContact CE1-CE 4.18Å; F207-M210 HydrophobicContact CG-CE 4.22Å; V208-M210 PolarHBondContact O-N 3.47Å; M210-E213 PolarHBondContact O-N 2.87Å; M210-G214 PolarHBondContact O-N 3.06Å; M210-N284 PolarHBondContact O-OD1 3.37Å; M210-L648 HydrophobicContact CE-CB 4.39Å; M210-L648 WeakPolarHBondContact CE-O 3.46Å; M210-L648 HydrophobicContact CG-CD1 4.14Å; M210-L648 HydrophobicContact SD-CB 3.46Å; M210-L648 WeakPolarHBondContact SD-CB 3.5Å; M210-L648 HydrophobicContact SD-CD1 3.89Å; M210-L648 HydrophobicContact SD-CD2 3.62Å; M210-L648 HydrophobicContact SD-CG 3.81Å
211F90.9Very high90.7Very high30 Ų3019.9 Ų19.913%0.13211%0.105CC..Hα-helixtrans-59-44.3170.9171.2-96.9000112.6F207 V208 E213 G214 L215 L238 L280 L283 N284 F287F207-F211 WeakPolarHBondContact O-CB 3.29Å; F207-F211 PolarHBondContact O-N 3.31Å; V208-F211 WeakPolarHBondContact O-CB 3.47Å; V208-F211 PolarHBondContact O-N 3.36Å; F211-E213 VanDerWaalsContact C-N 3.31Å; F211-E213 PolarHBondContact O-N 3.06Å; F211-G214 PolarHBondContact O-N 3.49Å; F211-L215 HydrophobicContact CE1-CD2 4.18Å; F211-L215 HydrophobicContact CZ-CD2 4.39Å; F211-L215 VanDerWaalsContact O-CB 3.28Å; F211-L215 WeakPolarHBondContact O-CB 3.22Å; F211-L215 PolarHBondContact O-N 3.09Å; F211-L238 HydrophobicContact CE1-CD2 4.28Å; F211-L280 HydrophobicContact CB-CD2 3.83Å; F211-L280 HydrophobicContact CD1-CD2 4.07Å; F211-L280 HydrophobicContact CD2-CD2 4.03Å; F211-L280 HydrophobicContact CG-CD2 3.69Å; F211-L283 HydrophobicContact CD2-CB 4.06Å; F211-L283 HydrophobicContact CD2-CD1 4.34Å; F211-L283 HydrophobicContact CE2-CB 3.93Å; F211-L283 HydrophobicContact CE2-CD1 3.78Å; F211-L283 HydrophobicContact CE2-CG 4.47Å; F211-N284 WeakPolarHBondContact CA-ND2 3.49Å; F211-N284 WeakPolarHBondContact CA-OD1 3.46Å; F211-N284 PolarHBondContact N-ND2 2.99Å; F211-F287 AromaticContact CD2-CE2 3.74Å; F211-F287 HydrophobicContact CD2-CE2 3.74Å; F211-F287 HydrophobicContact CD2-CZ 4.45Å; F211-F287 AromaticContact CE2-CE2 3.42Å; F211-F287 HydrophobicContact CE2-CE2 3.42Å; F211-F287 VanDerWaalsContact CE2-CE2 3.42Å; F211-F287 AromaticContact CE2-CZ 3.7Å; F211-F287 HydrophobicContact CE2-CZ 3.7Å; F211-F287 HydrophobicContact CZ-CE2 4.19Å; F211-F287 HydrophobicContact CZ-CZ 4.25Å
212I93.1Very high90.4Very high0 Ų024 Ų240%012%0.12CC..Hα-helixtrans-61.6-39.6175.1-75163000111.4I150 V208 W209 Y216 Y235 L238I150-I212 HydrophobicContact CD1-CG2 4.43Å; I150-I212 HydrophobicContact CG1-CG2 4.42Å; I150-I212 HydrophobicContact CG2-CG2 4.26Å; V208-I212 HydrophobicContact CG1-CD1 4.1Å; V208-I212 WeakPolarHBondContact O-CG1 3.23Å; V208-I212 PolarHBondContact O-N 2.64Å; W209-I212 HydrophobicContact CD2-CD1 4.4Å; W209-I212 HydrophobicContact CE3-CB 4.34Å; W209-I212 HydrophobicContact CE3-CD1 4.15Å; W209-I212 HydrophobicContact CE3-CG2 4.09Å; W209-I212 HydrophobicContact CH2-CD1 4.47Å; W209-I212 HydrophobicContact CZ3-CD1 4.21Å; W209-I212 HydrophobicContact CZ3-CG2 3.97Å; W209-I212 PolarHBondContact O-N 2.89Å; I212-Y216 WeakPolarHBondContact O-CB 3.41Å; I212-Y216 PolarHBondContact O-N 3.27Å; I212-Y235 WeakPolarHBondContact CD1-O 3.32Å; I212-Y235 HydrophobicContact CG2-CD1 3.97Å; I212-Y235 HydrophobicContact CG2-CG 4.49Å; I212-L238 HydrophobicContact CD1-CB 4.32Å; I212-L238 HydrophobicContact CD1-CD2 4.45Å; I212-L238 HydrophobicContact CD1-CG 4.35Å; I212-L238 HydrophobicContact CG1-CD2 4.2Å
213E89.8Confident90.2Very high17 Ų1730.7 Ų30.78%0.07915%0.147CC..Hα-helixtrans-64.7-47.1175.7-168.6177.6133.800111.8I150 H151 W209 M210 F211 Y216 L217 Y686I150-E213 HydrophobicContact CG2-CB 4.02Å; I150-E213 HydrophobicContact CG2-CG 4.38Å; H151-E213 IonicContact CE1-OE1 3.97Å; H151-E213 PolarHBondContact CE1-OE1 2.58Å; H151-E213 IonicContact CE1-OE2 2.7Å; H151-E213 PolarHBondContact CE1-OE2 3Å; H151-E213 IonicContact ND1-OE1 2.71Å; H151-E213 IonicContact ND1-OE2 3.57Å; H151-E213 PolarHBondContact ND1-OE2 3.3Å; W209-E213 PolarHBondContact O-N 2.8Å; M210-E213 PolarHBondContact O-N 2.87Å; F211-E213 VanDerWaalsContact C-N 3.31Å; F211-E213 PolarHBondContact O-N 3.06Å; E213-Y216 PolarHBondContact O-N 3.35Å; E213-L217 HydrophobicContact CG-CD1 4.4Å; E213-L217 VanDerWaalsContact O-CG 3.31Å; E213-L217 WeakPolarHBondContact O-CG 3.14Å; E213-L217 PolarHBondContact O-N 3.04Å; E213-Y686 PolarHBondContact OE1-OH 2.88Å
214G88.3Confident89.9Confident11 Ų1132.3 Ų32.311%0.11316%0.162CC..Hα-helixtrans-60.3-46.7176.100000112.7M210 F211 L217 C218M210-G214 PolarHBondContact O-N 3.06Å; F211-G214 PolarHBondContact O-N 3.49Å; G214-L217 PolarHBondContact O-N 2.86Å; G214-C218 WeakPolarHBondContact O-CB 3.48Å; G214-C218 PolarHBondContact O-N 3.09Å
215L90.5Very high89.6Confident44 Ų4440.5 Ų40.523%0.2320%0.197CC..Hα-helixtrans-60.3-47.5175.317962.5000111.5F211 L217 C218 L219 F287F211-L215 HydrophobicContact CE1-CD2 4.18Å; F211-L215 HydrophobicContact CZ-CD2 4.39Å; F211-L215 VanDerWaalsContact O-CB 3.28Å; F211-L215 WeakPolarHBondContact O-CB 3.22Å; F211-L215 PolarHBondContact O-N 3.09Å; L215-L217 VanDerWaalsContact C-N 3.35Å; L215-L217 PolarHBondContact O-N 2.84Å; L215-C218 WeakPolarHBondContact O-CB 3.28Å; L215-C218 PolarHBondContact O-N 3.28Å; L215-L219 HydrophobicContact CD1-CD1 4.31Å; L215-L219 HydrophobicContact CD1-CG 4.27Å; L215-L219 HydrophobicContact CG-CD1 4.07Å; L215-L219 HydrophobicContact CG-CG 4.44Å; L215-L219 WeakPolarHBondContact O-CB 3.49Å; L215-L219 VanDerWaalsContact O-CG 3.31Å; L215-L219 WeakPolarHBondContact O-CG 3.44Å; L215-L219 PolarHBondContact O-N 3.27Å; L215-F287 HydrophobicContact CB-CE2 3.91Å; L215-F287 HydrophobicContact CB-CZ 4.32Å; L215-F287 HydrophobicContact CD1-CE2 4.44Å; L215-F287 HydrophobicContact CD1-CZ 4Å
216Y90.3Very high89.1Confident27 Ų2748.7 Ų48.711%0.10623%0.228CC..Hα-helixtrans-61.5-40.6179176-108.7000112.3M146 R147 I150 I212 E213 L219 I220 V227M146-Y216 HydrophobicContact CE-CD2 4.45Å; M146-Y216 HydrophobicContact CE-CE2 4.31Å; M146-Y216 HydrophobicContact CG-CD2 4.47Å; M146-Y216 HydrophobicContact CG-CE1 4.46Å; M146-Y216 HydrophobicContact CG-CE2 3.6Å; M146-Y216 WeakPolarHBondContact CG-OH 3.15Å; R147-Y216 HydrophobicContact CB-CE1 4.2Å; I150-Y216 HydrophobicContact CD1-CD1 3.58Å; I150-Y216 HydrophobicContact CD1-CD2 4.05Å; I150-Y216 HydrophobicContact CD1-CE1 4.04Å; I150-Y216 HydrophobicContact CD1-CE2 4.48Å; I150-Y216 HydrophobicContact CD1-CG 3.58Å; I212-Y216 WeakPolarHBondContact O-CB 3.41Å; I212-Y216 PolarHBondContact O-N 3.27Å; E213-Y216 PolarHBondContact O-N 3.35Å; Y216-L219 PolarHBondContact O-N 3.35Å; Y216-I220 HydrophobicContact CD1-CD1 3.88Å; Y216-I220 HydrophobicContact CE1-CD1 3.42Å; Y216-I220 VanDerWaalsContact CE1-CD1 3.42Å; Y216-I220 HydrophobicContact CE2-CD1 4.12Å; Y216-I220 HydrophobicContact CE2-CG1 4.48Å; Y216-I220 HydrophobicContact CG-CD1 4.4Å; Y216-I220 WeakPolarHBondContact O-CG1 3.33Å; Y216-I220 PolarHBondContact O-N 2.94Å; Y216-V227 HydrophobicContact CD2-CG1 4.42Å; Y216-V227 HydrophobicContact CE2-CG1 3.67Å
217L87.2Confident88.7Confident58 Ų5849.6 Ų49.630%0.30423%0.234SC..Hα-helixtrans-65.2-41.3174.2-70.1173.3000111.9E213 G214 L215 I220 V221 I291E213-L217 HydrophobicContact CG-CD1 4.4Å; E213-L217 VanDerWaalsContact O-CG 3.31Å; E213-L217 WeakPolarHBondContact O-CG 3.14Å; E213-L217 PolarHBondContact O-N 3.04Å; G214-L217 PolarHBondContact O-N 2.86Å; L215-L217 VanDerWaalsContact C-N 3.35Å; L215-L217 PolarHBondContact O-N 2.84Å; L217-I220 PolarHBondContact O-N 3.42Å; L217-V221 WeakPolarHBondContact O-CG2 3.29Å; L217-V221 PolarHBondContact O-N 3.34Å; L217-I291 HydrophobicContact CB-CD1 3.85Å
218C87.4Confident88.3Confident20 Ų2056.9 Ų56.914%0.13527%0.268CS..Hα-helixtrans-62.9-45.4175.4-169.20000111.6G214 L215 I220 V221 Y222 I291G214-C218 WeakPolarHBondContact O-CB 3.48Å; G214-C218 PolarHBondContact O-N 3.09Å; L215-C218 WeakPolarHBondContact O-CB 3.28Å; L215-C218 PolarHBondContact O-N 3.28Å; C218-I220 VanDerWaalsContact C-N 3.33Å; C218-I220 PolarHBondContact O-N 3.15Å; C218-V221 WeakPolarHBondContact O-CB 3.4Å; C218-V221 PolarHBondContact O-N 2.73Å; C218-Y222 PolarHBondContact O-N 3.03Å; C218-I291 HydrophobicContact CB-CD1 4.3Å; C218-I291 HydrophobicContact CB-CG1 4.46Å
219L89.7Confident87.7Confident38 Ų3865.4 Ų65.420%0.19931%0.305CS..Hα-helixtrans-60.6-37.9176.6-70.9173.4000112.5L215 Y216 V221 Y223 V227L215-L219 HydrophobicContact CD1-CD1 4.31Å; L215-L219 HydrophobicContact CD1-CG 4.27Å; L215-L219 HydrophobicContact CG-CD1 4.07Å; L215-L219 HydrophobicContact CG-CG 4.44Å; L215-L219 WeakPolarHBondContact O-CB 3.49Å; L215-L219 VanDerWaalsContact O-CG 3.31Å; L215-L219 WeakPolarHBondContact O-CG 3.44Å; L215-L219 PolarHBondContact O-N 3.27Å; Y216-L219 PolarHBondContact O-N 3.35Å; L219-V221 VanDerWaalsContact C-N 3.31Å; L219-V221 PolarHBondContact O-N 3.36Å; L219-Y223 HydrophobicContact CD2-CD2 4.08Å; L219-Y223 CarbonylContact O-C 3.5Å; L219-Y223 VanDerWaalsContact O-C 3.3Å; L219-Y223 VanDerWaalsContact O-CA 3.32Å; L219-Y223 WeakPolarHBondContact O-CA 3.49Å; L219-Y223 PolarHBondContact O-N 2.84Å; L219-V227 HydrophobicContact CB-CG2 3.8Å
220I89.1Confident87.1Confident56 Ų5669.5 Ų69.529%0.28733%0.326SS..Hα-helixtrans-62.7-37.3173-72.4163.1000111.8Y216 L217 C218 V227Y216-I220 HydrophobicContact CD1-CD1 3.88Å; Y216-I220 HydrophobicContact CE1-CD1 3.42Å; Y216-I220 VanDerWaalsContact CE1-CD1 3.42Å; Y216-I220 HydrophobicContact CE2-CD1 4.12Å; Y216-I220 HydrophobicContact CE2-CG1 4.48Å; Y216-I220 HydrophobicContact CG-CD1 4.4Å; Y216-I220 WeakPolarHBondContact O-CG1 3.33Å; Y216-I220 PolarHBondContact O-N 2.94Å; L217-I220 PolarHBondContact O-N 3.42Å; C218-I220 VanDerWaalsContact C-N 3.33Å; C218-I220 PolarHBondContact O-N 3.15Å; I220-V227 HydrophobicContact CG1-CG1 3.98Å; I220-V227 HydrophobicContact CG1-CG2 4.21Å
221V86.2Confident87.1Confident32 Ų3277 Ų7719%0.19436%0.358CS..Hα-helixtrans-70.6-36.2-174.4167.90000112.6L217 C218 L219 A294 K298L217-V221 WeakPolarHBondContact O-CG2 3.29Å; L217-V221 PolarHBondContact O-N 3.34Å; C218-V221 WeakPolarHBondContact O-CB 3.4Å; C218-V221 PolarHBondContact O-N 2.73Å; L219-V221 VanDerWaalsContact C-N 3.31Å; L219-V221 PolarHBondContact O-N 3.36Å; V221-A294 HydrophobicContact CG1-CB 3.58Å; V221-K298 PolarHBondContact O-NZ 3.48Å
222Y87.7Confident87Confident118 Ų11878.2 Ų78.246%0.46336%0.363SS..Hα-helixtrans-105.2-40.7-176.3-72.1-86.2000114.3C218 I290C218-Y222 PolarHBondContact O-N 3.03Å; Y222-I290 HydrophobicContact CE2-CG2 3.62Å; Y222-I290 WeakPolarHBondContact OH-CG2 3.4Å
223Y88.6Confident86.9Confident141 Ų14186.7 Ų86.755%0.55340%0.395SS*.  trans-120.742.5-168.6-60.9-71.6000112.4L219 F225 W226 V227L219-Y223 HydrophobicContact CD2-CD2 4.08Å; L219-Y223 CarbonylContact O-C 3.5Å; L219-Y223 VanDerWaalsContact O-C 3.3Å; L219-Y223 VanDerWaalsContact O-CA 3.32Å; L219-Y223 WeakPolarHBondContact O-CA 3.49Å; L219-Y223 PolarHBondContact O-N 2.84Å; Y223-F225 VanDerWaalsContact C-N 3.3Å; Y223-F225 PolarHBondContact O-N 3.21Å; Y223-F225 VanDerWaalsContact O-N 3.15Å; Y223-W226 WeakPolarHBondContact O-CA 3.43Å; Y223-W226 WeakPolarHBondContact O-CB 3.24Å; Y223-W226 PolarHBondContact O-N 3.31Å; Y223-V227 PolarHBondContact O-N 3.15Å; Y223-V227 VanDerWaalsContact O-N 3.16Å
224A84.8Confident87Confident53 Ų5389.4 Ų89.444%0.43842%0.415SS..Hα-helixtrans-47.1-46.9-175.400000114W226 V227 E228A224-W226 VanDerWaalsContact C-N 3.28Å; A224-W226 PolarHBondContact O-N 2.86Å; A224-V227 PolarHBondContact O-N 3.23Å; A224-E228 PolarHBondContact O-N 3.23Å
225F84.2Confident87.2Confident172 Ų17289.8 Ų89.875%0.75441%0.413SS*.Hα-helixtrans-63.5-26.8177.9-66.1-67.5000114.6Y223Y223-F225 VanDerWaalsContact C-N 3.3Å; Y223-F225 PolarHBondContact O-N 3.21Å; Y223-F225 VanDerWaalsContact O-N 3.15Å
226W83.7Confident87.3Confident171 Ų17188.6 Ų88.665%0.64841%0.409SS*.Hα-helixtrans-79.9-37.4175.5-77.581.3000111.5Y223 A224 E228 K229 M230Y223-W226 WeakPolarHBondContact O-CA 3.43Å; Y223-W226 WeakPolarHBondContact O-CB 3.24Å; Y223-W226 PolarHBondContact O-N 3.31Å; A224-W226 VanDerWaalsContact C-N 3.28Å; A224-W226 PolarHBondContact O-N 2.86Å; W226-E228 PolarHBondContact O-N 3.47Å; W226-K229 PolarHBondContact O-N 2.83Å; W226-M230 WeakPolarHBondContact O-CG 3.29Å; W226-M230 PolarHBondContact O-N 3.48Å
227V83.9Confident87.5Confident24 Ų2491.7 Ų91.715%0.14543%0.427CS..Hα-helixtrans-58.9-34179.5176.80000111.9Y216 L219 I220 Y223 A224 K229 M230Y216-V227 HydrophobicContact CD2-CG1 4.42Å; Y216-V227 HydrophobicContact CE2-CG1 3.67Å; L219-V227 HydrophobicContact CB-CG2 3.8Å; I220-V227 HydrophobicContact CG1-CG1 3.98Å; I220-V227 HydrophobicContact CG1-CG2 4.21Å; Y223-V227 PolarHBondContact O-N 3.15Å; Y223-V227 VanDerWaalsContact O-N 3.16Å; A224-V227 PolarHBondContact O-N 3.23Å; V227-K229 PolarHBondContact O-N 3.37Å; V227-M230 WeakPolarHBondContact O-CB 3.32Å; V227-M230 PolarHBondContact O-N 3.01Å
228E81.4Confident87.8Confident169 Ų16992.2 Ų92.279%0.7943%0.43SS*.THydrogen-bonded Turntrans-63.8-26.1175.5-64.9-175.1167.300113.8A224 W226A224-E228 PolarHBondContact O-N 3.23Å; W226-E228 PolarHBondContact O-N 3.47Å
229K81.8Confident88.2Confident179 Ų17991.3 Ų91.378%0.77842%0.424SS*.THydrogen-bonded Turntrans-90.5-12177.6-60.4-176.3-178.1-179.80113.2W226 V227 K231W226-K229 PolarHBondContact O-N 2.83Å; V227-K229 PolarHBondContact O-N 3.37Å; K229-K231 PolarHBondContact O-N 3.44Å
230M82Confident88.6Confident87 Ų8791.9 Ų91.943%0.42942%0.423SS..  trans-72.7123.5-176.1-72.1-68.4-172.700111.7W226 V227 Y235W226-M230 WeakPolarHBondContact O-CG 3.29Å; W226-M230 PolarHBondContact O-N 3.48Å; V227-M230 WeakPolarHBondContact O-CB 3.32Å; V227-M230 PolarHBondContact O-N 3.01Å; M230-Y235 HydrophobicContact CB-CE2 4.24Å
231K88.3Confident88.9Confident170 Ų17090.4 Ų90.474%0.73942%0.422SS*.  trans-75.7153.7168.1-64.6-179.6-178.3176.30109.9K229 P234K229-K231 PolarHBondContact O-N 3.44Å; K231-P234 WeakPolarHBondContact O-CD 3.5Å
232F89.1Confident89.2Confident56 Ų5691.9 Ų91.925%0.24643%0.428CS..SBendtrans-70.8-31.7178.9174.3-113.8000113.8M146 T149 H153 W209 Y235 A236M146-F232 HydrophobicContact CE-CB 4.4Å; M146-F232 HydrophobicContact CE-CD2 3.79Å; M146-F232 HydrophobicContact SD-CB 3.98Å; M146-F232 HydrophobicContact SD-CD2 3.71Å; M146-F232 HydrophobicContact SD-CG 4.27Å; T149-F232 HydrophobicContact CG2-CD1 4.28Å; T149-F232 HydrophobicContact CG2-CD2 4.14Å; T149-F232 HydrophobicContact CG2-CE1 3.95Å; T149-F232 HydrophobicContact CG2-CE2 3.83Å; T149-F232 HydrophobicContact CG2-CG 4.38Å; T149-F232 HydrophobicContact CG2-CZ 3.75Å; H153-F232 AromaticContact CD2-CZ 3.38Å; H153-F232 WeakPolarHBondContact CD2-CZ 3.47Å; H153-F232 AromaticContact NE2-CE1 3.55Å; H153-F232 AromaticContact NE2-CZ 3.3Å; H153-F232 VanDerWaalsContact NE2-CZ 3.3Å; H153-F232 WeakPolarHBondContact NE2-CZ 3.5Å; W209-F232 HydrophobicContact CH2-CE2 4.05Å; W209-F232 AromaticContact CH2-CZ 3.87Å; W209-F232 HydrophobicContact CH2-CZ 3.87Å; W209-F232 HydrophobicContact CZ3-CE2 4.26Å; W209-F232 HydrophobicContact CZ3-CZ 4.46Å; F232-Y235 WeakPolarHBondContact O-CB 3.37Å; F232-Y235 PolarHBondContact O-N 3.01Å; F232-A236 HydrophobicContact CD1-CB 4.25Å; F232-A236 HydrophobicContact CE1-CB 3.66Å; F232-A236 HydrophobicContact CZ-CB 3.84Å; F232-A236 PolarHBondContact O-N 3.11Å
233W90.8Very high89.6Confident177 Ų17786.2 Ų86.267%0.6741%0.406SS*.Hα-helixtrans-55.9-41.1-168.3-173.377.9000116.1Y235 A236 L237W233-Y235 VanDerWaalsContact C-N 3.3Å; W233-Y235 PolarHBondContact O-N 3.36Å; W233-A236 WeakPolarHBondContact O-CB 3.43Å; W233-A236 PolarHBondContact O-N 2.87Å; W233-A236 VanDerWaalsContact O-N 3.1Å; W233-L237 HydrophobicContact CD2-CD1 4.02Å; W233-L237 HydrophobicContact CD2-CG 4.17Å; W233-L237 HydrophobicContact CE3-CD1 3.84Å; W233-L237 HydrophobicContact CE3-CG 4.44Å; W233-L237 HydrophobicContact CH2-CD1 3.5Å; W233-L237 VanDerWaalsContact CH2-CD1 3.5Å; W233-L237 HydrophobicContact CH2-CG 4.45Å; W233-L237 HydrophobicContact CZ2-CD1 3.65Å; W233-L237 HydrophobicContact CZ2-CD2 4.19Å; W233-L237 HydrophobicContact CZ2-CG 4.13Å; W233-L237 HydrophobicContact CZ3-CD1 3.57Å; W233-L237 PolarHBondContact O-N 2.67Å
234P91.7Very high89.9Confident75 Ų7582.5 Ų82.549%0.48740%0.398SS..Hα-helixtrans-60.2-36.9175.6-24.535.8000113.5K231 L237 L238K231-P234 WeakPolarHBondContact O-CD 3.5Å; P234-L237 PolarHBondContact O-N 2.95Å; P234-L238 PolarHBondContact O-N 3.42Å
235Y92.3Very high90.4Very high19 Ų1984.8 Ų84.88%0.07540%0.402CS..Hα-helixtrans-69.3-36.5175.3-57.5-87.5000111.5M146 I212 M230 F232 W233 L238 G239M146-Y235 HydrophobicContact CE-CD2 3.62Å; M146-Y235 HydrophobicContact CE-CE2 3.85Å; M146-Y235 HydrophobicContact CE-CG 4.21Å; I212-Y235 WeakPolarHBondContact CD1-O 3.32Å; I212-Y235 HydrophobicContact CG2-CD1 3.97Å; I212-Y235 HydrophobicContact CG2-CG 4.49Å; M230-Y235 HydrophobicContact CB-CE2 4.24Å; F232-Y235 WeakPolarHBondContact O-CB 3.37Å; F232-Y235 PolarHBondContact O-N 3.01Å; W233-Y235 VanDerWaalsContact C-N 3.3Å; W233-Y235 PolarHBondContact O-N 3.36Å; Y235-L238 PolarHBondContact O-N 3.47Å; Y235-G239 PolarHBondContact O-N 3.05Å
236A93.8Very high90.8Very high19 Ų1978 Ų7816%0.15737%0.373CS..Hα-helixtrans-65.7-41.7175.500000112.5F232 W233 G239 W240F232-A236 HydrophobicContact CD1-CB 4.25Å; F232-A236 HydrophobicContact CE1-CB 3.66Å; F232-A236 HydrophobicContact CZ-CB 3.84Å; F232-A236 PolarHBondContact O-N 3.11Å; W233-A236 WeakPolarHBondContact O-CB 3.43Å; W233-A236 PolarHBondContact O-N 2.87Å; W233-A236 VanDerWaalsContact O-N 3.1Å; A236-G239 PolarHBondContact O-N 2.83Å; A236-W240 PolarHBondContact O-N 2.88Å; A236-W240 VanDerWaalsContact O-N 3.16Å
237L94.4Very high91.3Very high91 Ų9170.2 Ų70.248%0.47634%0.344SS..Hα-helixtrans-62.4-45.9173.9-74.6-175.4000111.9W233 P234 G241W233-L237 HydrophobicContact CD2-CD1 4.02Å; W233-L237 HydrophobicContact CD2-CG 4.17Å; W233-L237 HydrophobicContact CE3-CD1 3.84Å; W233-L237 HydrophobicContact CE3-CG 4.44Å; W233-L237 HydrophobicContact CH2-CD1 3.5Å; W233-L237 VanDerWaalsContact CH2-CD1 3.5Å; W233-L237 HydrophobicContact CH2-CG 4.45Å; W233-L237 HydrophobicContact CZ2-CD1 3.65Å; W233-L237 HydrophobicContact CZ2-CD2 4.19Å; W233-L237 HydrophobicContact CZ2-CG 4.13Å; W233-L237 HydrophobicContact CZ3-CD1 3.57Å; W233-L237 PolarHBondContact O-N 2.67Å; P234-L237 PolarHBondContact O-N 2.95Å; L237-G241 WeakPolarHBondContact O-CA 3.43Å; L237-G241 PolarHBondContact O-N 3.04Å
238L94.1Very high91.8Very high70 Ų7072.3 Ų72.337%0.36636%0.357SS..Hα-helixtrans-63-45.9177-176.162.7000111.2V208 F211 I212 P234 Y235 W240 L242V208-L238 HydrophobicContact CG1-CG 4.45Å; V208-L238 WeakPolarHBondContact CG1-O 3.15Å; F211-L238 HydrophobicContact CE1-CD2 4.28Å; I212-L238 HydrophobicContact CD1-CB 4.32Å; I212-L238 HydrophobicContact CD1-CD2 4.45Å; I212-L238 HydrophobicContact CD1-CG 4.35Å; I212-L238 HydrophobicContact CG1-CD2 4.2Å; P234-L238 PolarHBondContact O-N 3.42Å; Y235-L238 PolarHBondContact O-N 3.47Å; L238-W240 PolarHBondContact O-N 3.04Å; L238-L242 PolarHBondContact O-N 3.04Å
239G95.1Very high92.3Very high0 Ų068.3 Ų68.30%034%0.34CS..Hα-helixtrans-66.6-31.3-173.200000115.4W209 Y235 A236 P243W209-G239 PolarHBondContact NE1-O 3.32Å; Y235-G239 PolarHBondContact O-N 3.05Å; A236-G239 PolarHBondContact O-N 2.83Å; G239-P243 WeakPolarHBondContact O-CG 3.21Å
240W97.2Very high92.7Very high51 Ų5160.6 Ų60.619%0.19331%0.306CS..Hα-helixtrans-109-32.2177.7-61.8113000113.3H153 V156 A157 I160 F201 A205 W209 A236 L238 P243 T244H153-W240 HydrophobicContact CB-CZ2 4.05Å; H153-W240 AromaticContact CE1-NE1 3.85Å; H153-W240 AromaticContact CG-NE1 3.98Å; H153-W240 AromaticContact ND1-CE2 3.73Å; H153-W240 AromaticContact ND1-CZ2 3.65Å; H153-W240 AromaticContact ND1-NE1 3.21Å; H153-W240 PolarHBondContact ND1-NE1 3.34Å; V156-W240 HydrophobicContact CB-CH2 4.41Å; V156-W240 HydrophobicContact CB-CZ2 4.48Å; V156-W240 HydrophobicContact CG1-CH2 4Å; V156-W240 HydrophobicContact CG1-CZ2 4.23Å; A157-W240 HydrophobicContact CB-CH2 3.94Å; A157-W240 HydrophobicContact CB-CZ3 4.28Å; I160-W240 HydrophobicContact CD1-CH2 4.37Å; I160-W240 HydrophobicContact CD1-CZ3 4.34Å; F201-W240 HydrophobicContact CE1-CE3 4.1Å; F201-W240 AromaticContact CE1-CZ3 3.98Å; F201-W240 HydrophobicContact CE1-CZ3 3.98Å; F201-W240 AromaticContact CZ-CE3 3.62Å; F201-W240 HydrophobicContact CZ-CE3 3.62Å; F201-W240 AromaticContact CZ-CZ3 3.99Å; F201-W240 HydrophobicContact CZ-CZ3 3.99Å; A205-W240 HydrophobicContact CB-CE3 4.14Å; A205-W240 HydrophobicContact CB-CZ3 3.76Å; W209-W240 AromaticContact CE2-CE2 3.88Å; W209-W240 AromaticContact CE2-NE1 3.8Å; W209-W240 AromaticContact CZ2-CD1 3.72Å; W209-W240 AromaticContact CZ2-CE2 3.95Å; W209-W240 HydrophobicContact CZ2-CG 4.43Å; W209-W240 AromaticContact CZ2-NE1 3.36Å; W209-W240 AromaticContact NE1-CD2 3.64Å; W209-W240 AromaticContact NE1-CE2 3.34Å; W209-W240 VanDerWaalsContact NE1-CE2 3.34Å; W209-W240 AromaticContact NE1-CH2 3.9Å; W209-W240 AromaticContact NE1-CZ2 3.49Å; W209-W240 AromaticContact NE1-NE1 3.72Å; A236-W240 PolarHBondContact O-N 2.88Å; A236-W240 VanDerWaalsContact O-N 3.16Å; L238-W240 PolarHBondContact O-N 3.04Å; W240-P243 WeakPolarHBondContact O-CD 3.44Å; W240-T244 WeakPolarHBondContact O-CB 3.44Å; W240-T244 PolarHBondContact O-N 3.27Å; W240-T244 PolarHBondContact O-OG1 3.47Å
241G96Very high93.1Very high25 Ų2558.4 Ų58.426%0.25830%0.298SS..Hα-helixtrans-67.7-45.5-177.400000113.6L237 T244 I245L237-G241 WeakPolarHBondContact O-CA 3.43Å; L237-G241 PolarHBondContact O-N 3.04Å; G241-T244 PolarHBondContact O-N 3.3Å; G241-I245 VanDerWaalsContact O-CG1 3.3Å; G241-I245 WeakPolarHBondContact O-CG1 3.44Å; G241-I245 PolarHBondContact O-N 3.49Å
242L93.2Very high93.2Very high62 Ų6255 Ų5533%0.32529%0.287SS..Hα-helixtrans-62.5-46.4179.1175.864.5000112.3V208 L238 I245 L246V208-L242 HydrophobicContact CG1-CD2 4.5Å; V208-L242 HydrophobicContact CG2-CD2 3.98Å; V208-L242 HydrophobicContact CG2-CG 4.38Å; L238-L242 PolarHBondContact O-N 3.04Å; L242-I245 PolarHBondContact O-N 3.38Å; L242-L246 HydrophobicContact CD1-CD1 3.7Å; L242-L246 HydrophobicContact CD1-CG 4.16Å; L242-L246 HydrophobicContact CG-CD1 4.13Å; L242-L246 PolarHBondContact O-N 3.11Å
243P95.3Very high93.2Very high0 Ų054.5 Ų54.50%029%0.286CS..Hα-helixtrans-60.3-42.5171.2-24.534.2000113.5F201 L204 A205 V208 G239 W240 I245 I247F201-P243 HydrophobicContact CD2-CB 3.84Å; F201-P243 HydrophobicContact CE2-CB 3.83Å; L204-P243 HydrophobicContact CB-CB 4.36Å; L204-P243 HydrophobicContact CD2-CB 4.36Å; L204-P243 HydrophobicContact CG-CB 4.15Å; L204-P243 HydrophobicContact CG-CG 4.35Å; A205-P243 HydrophobicContact CB-CB 4.18Å; A205-P243 HydrophobicContact CB-CG 3.97Å; V208-P243 HydrophobicContact CB-CG 4.21Å; V208-P243 HydrophobicContact CG2-CG 3.81Å; G239-P243 WeakPolarHBondContact O-CG 3.21Å; W240-P243 WeakPolarHBondContact O-CD 3.44Å; P243-I245 PolarHBondContact O-N 3.46Å; P243-I247 WeakPolarHBondContact O-CB 3.44Å; P243-I247 VanDerWaalsContact O-CG1 3.23Å; P243-I247 WeakPolarHBondContact O-CG1 3.34Å; P243-I247 PolarHBondContact O-N 3.48Å
244T95.3Very high92.9Very high63 Ų6346.3 Ų46.339%0.38726%0.255SS..Hα-helixtrans-58.9-50.1177.8-65.90000111.2F201 W240 G241 L246 I247 T248F201-T244 WeakPolarHBondContact CE2-OG1 3.2Å; W240-T244 WeakPolarHBondContact O-CB 3.44Å; W240-T244 PolarHBondContact O-N 3.27Å; W240-T244 PolarHBondContact O-OG1 3.47Å; G241-T244 PolarHBondContact O-N 3.3Å; T244-L246 PolarHBondContact O-N 3.1Å; T244-I247 PolarHBondContact O-N 3.19Å; T244-T248 HydrophobicContact CG2-CG2 4.22Å; T244-T248 WeakPolarHBondContact O-CG2 3.47Å; T244-T248 PolarHBondContact O-N 3Å; T244-T248 PolarHBondContact O-OG1 2.96Å; T244-T248 VanDerWaalsContact O-OG1 3.06Å
245I95Very high92.7Very high101 Ų10149.4 Ų49.452%0.51826%0.258SS..Hα-helixtrans-62.2-45.8-176.9-67.3163.3000111.6G241 L242 P243 T248 I249G241-I245 VanDerWaalsContact O-CG1 3.3Å; G241-I245 WeakPolarHBondContact O-CG1 3.44Å; G241-I245 PolarHBondContact O-N 3.49Å; L242-I245 PolarHBondContact O-N 3.38Å; P243-I245 PolarHBondContact O-N 3.46Å; I245-T248 PolarHBondContact O-OG1 2.8Å; I245-I249 HydrophobicContact CG2-CD1 4.03Å; I245-I249 WeakPolarHBondContact O-CD1 3.24Å; I245-I249 VanDerWaalsContact O-CG1 3.25Å; I245-I249 WeakPolarHBondContact O-CG1 3.33Å; I245-I249 PolarHBondContact O-N 2.96Å
246L93.5Very high92.5Very high28 Ų2854.4 Ų54.415%0.14729%0.285CS..Hα-helixtrans-69.2-36-178.3-69.8171.3000112.2L204 L242 T244 R250 L272 P276L204-L246 HydrophobicContact CD2-CB 3.8Å; L204-L246 HydrophobicContact CD2-CD1 3.87Å; L204-L246 HydrophobicContact CD2-CG 4.48Å; L242-L246 HydrophobicContact CD1-CD1 3.7Å; L242-L246 HydrophobicContact CD1-CG 4.16Å; L242-L246 HydrophobicContact CG-CD1 4.13Å; L242-L246 PolarHBondContact O-N 3.11Å; T244-L246 PolarHBondContact O-N 3.1Å; L246-R250 PolarHBondContact O-N 3.43Å; L246-R250 VanDerWaalsContact O-N 3.1Å; L246-L272 HydrophobicContact CD2-CD1 4.45Å; L246-P276 HydrophobicContact CD1-CB 4.07Å; L246-P276 HydrophobicContact CD1-CG 3.97Å
247I93.5Very high92.1Very high9 Ų960.5 Ų60.55%0.04630%0.304CS..Hα-helixtrans-80.1-30.6179.5-60.8-63.1000112.8A200 F201 L204 P243 T244 R250 T251 I273A200-I247 HydrophobicContact CB-CD1 3.82Å; F201-I247 HydrophobicContact CB-CG1 4.17Å; F201-I247 HydrophobicContact CB-CG2 4.24Å; L204-I247 HydrophobicContact CD2-CD1 4.35Å; L204-I247 HydrophobicContact CD2-CG1 4.28Å; P243-I247 WeakPolarHBondContact O-CB 3.44Å; P243-I247 VanDerWaalsContact O-CG1 3.23Å; P243-I247 WeakPolarHBondContact O-CG1 3.34Å; P243-I247 PolarHBondContact O-N 3.48Å; T244-I247 PolarHBondContact O-N 3.19Å; I247-R250 PolarHBondContact O-N 3.16Å; I247-T251 VanDerWaalsContact O-CB 3.26Å; I247-T251 WeakPolarHBondContact O-CB 3.38Å; I247-T251 PolarHBondContact O-N 3.2Å; I247-T251 PolarHBondContact O-OG1 3.42Å; I247-I273 HydrophobicContact CD1-CD1 3.79Å; I247-I273 HydrophobicContact CD1-CG1 4.02Å
248T93.2Very high91.5Very high67 Ų6758 Ų5841%0.41129%0.289SS..Hα-helixtrans-65.6-42.7170.853.10000110.8T244 I245 R250 T251 I252T244-T248 HydrophobicContact CG2-CG2 4.22Å; T244-T248 WeakPolarHBondContact O-CG2 3.47Å; T244-T248 PolarHBondContact O-N 3Å; T244-T248 PolarHBondContact O-OG1 2.96Å; T244-T248 VanDerWaalsContact O-OG1 3.06Å; I245-T248 PolarHBondContact O-OG1 2.8Å; T248-R250 PolarHBondContact O-N 3.3Å; T248-T251 PolarHBondContact O-N 3.5Å; T248-I252 WeakPolarHBondContact O-CB 3.43Å; T248-I252 WeakPolarHBondContact O-CD1 3.38Å; T248-I252 VanDerWaalsContact O-CG1 3.24Å; T248-I252 WeakPolarHBondContact O-CG1 3.41Å; T248-I252 PolarHBondContact O-N 3.12Å
249I92.8Very high90.7Very high86 Ų8657.3 Ų57.344%0.44129%0.289SS..Hα-helixtrans-57.3-47.6173-67165.7000110.8I245 I252 M253 L272I245-I249 HydrophobicContact CG2-CD1 4.03Å; I245-I249 WeakPolarHBondContact O-CD1 3.24Å; I245-I249 VanDerWaalsContact O-CG1 3.25Å; I245-I249 WeakPolarHBondContact O-CG1 3.33Å; I245-I249 PolarHBondContact O-N 2.96Å; I249-I252 PolarHBondContact O-N 2.93Å; I249-M253 VanDerWaalsContact O-CB 3.3Å; I249-M253 WeakPolarHBondContact O-CB 3.31Å; I249-M253 PolarHBondContact O-N 3.44Å; I249-L272 HydrophobicContact CG2-CD2 4.03Å
250R89.9Confident89.5Confident16 Ų1660.1 Ų60.16%0.0631%0.307CS..Hα-helixtrans-57.8-50.6175.2-178.2-178.7178.3-113.1-8.4112.4L246 I247 T248 I252 M253 N254 W263 D269 L272 I273L246-R250 PolarHBondContact O-N 3.43Å; L246-R250 VanDerWaalsContact O-N 3.1Å; I247-R250 PolarHBondContact O-N 3.16Å; T248-R250 PolarHBondContact O-N 3.3Å; R250-I252 VanDerWaalsContact C-N 3.34Å; R250-I252 PolarHBondContact O-N 3.09Å; R250-M253 PolarHBondContact O-N 3.37Å; R250-N254 WeakPolarHBondContact O-CB 3.04Å; R250-N254 PolarHBondContact O-N 3.38Å; R250-N254 PolarHBondContact O-OD1 2.96Å; R250-W263 PolarHBondContact NH2-O 3.21Å; R250-D269 HydrophobicContact CG-CB 4.4Å; R250-D269 IonicContact CZ-OD2 2.7Å; R250-D269 IonicContact NE-OD2 2.73Å; R250-D269 PolarHBondContact NE-OD2 3.23Å; R250-D269 IonicContact NH2-OD2 3.37Å; R250-D269 PolarHBondContact NH2-OD2 2.97Å; R250-L272 HydrophobicContact CB-CD2 3.91Å; R250-I273 VanDerWaalsContact CD-CD1 3.43Å
251T90.2Very high88.1Confident41 Ų4159.8 Ų59.825%0.25231%0.307SS..Hα-helixtrans-61-43.4-177.1-63.80000111S197 I247 T248 Y255 W263S197-T251 PolarHBondContact OG-OG1 3.37Å; I247-T251 VanDerWaalsContact O-CB 3.26Å; I247-T251 WeakPolarHBondContact O-CB 3.38Å; I247-T251 PolarHBondContact O-N 3.2Å; I247-T251 PolarHBondContact O-OG1 3.42Å; T248-T251 PolarHBondContact O-N 3.5Å; T251-Y255 WeakPolarHBondContact O-CB 3.38Å; T251-Y255 PolarHBondContact O-N 3.25Å; T251-W263 HydrophobicContact CG2-CH2 3.86Å; T251-W263 HydrophobicContact CG2-CZ3 3.8Å
252I91.2Very high87Confident100 Ų10059 Ų5951%0.51330%0.297SS..Hα-helixtrans-65.9-46.5176.3-67.6164.2000110.8T248 I249 R250 N254 Y255 I256T248-I252 WeakPolarHBondContact O-CB 3.43Å; T248-I252 WeakPolarHBondContact O-CD1 3.38Å; T248-I252 VanDerWaalsContact O-CG1 3.24Å; T248-I252 WeakPolarHBondContact O-CG1 3.41Å; T248-I252 PolarHBondContact O-N 3.12Å; I249-I252 PolarHBondContact O-N 2.93Å; R250-I252 VanDerWaalsContact C-N 3.34Å; R250-I252 PolarHBondContact O-N 3.09Å; I252-N254 PolarHBondContact O-N 3.21Å; I252-Y255 PolarHBondContact O-N 2.86Å; I252-I256 HydrophobicContact CG2-CD1 3.71Å; I252-I256 HydrophobicContact CG2-CG1 4.5Å; I252-I256 VanDerWaalsContact O-CG1 3.3Å; I252-I256 WeakPolarHBondContact O-CG1 3.37Å; I252-I256 PolarHBondContact O-N 3.16Å
253M88.6Confident86.1Confident45 Ų4556.8 Ų56.822%0.22228%0.284CS..Hα-helixtrans-60.7-43.6179.4-177.1-179.567.700112.1I249 R250 R257 D269 L272I249-M253 VanDerWaalsContact O-CB 3.3Å; I249-M253 WeakPolarHBondContact O-CB 3.31Å; I249-M253 PolarHBondContact O-N 3.44Å; R250-M253 PolarHBondContact O-N 3.37Å; M253-R257 WeakPolarHBondContact O-CB 3.25Å; M253-R257 WeakPolarHBondContact O-CG 3.19Å; M253-R257 PolarHBondContact O-N 3.16Å; M253-R257 VanDerWaalsContact O-N 3.09Å; M253-R257 PolarHBondContact SD-NH1 3.45Å; M253-R257 VanDerWaalsContact SD-NH1 3.36Å; M253-D269 HydrophobicContact CE-CB 3.49Å; M253-D269 VanDerWaalsContact CE-CB 3.49Å; M253-L272 HydrophobicContact CE-CD2 4.37Å
254N85.8Confident84.8Confident4 Ų460.8 Ų60.82%0.02131%0.305CS..Hα-helixtrans-72.1-37.2178.8-694.3000111.7R250 I252 I256 R257 H258 W263 D269R250-N254 WeakPolarHBondContact O-CB 3.04Å; R250-N254 PolarHBondContact O-N 3.38Å; R250-N254 PolarHBondContact O-OD1 2.96Å; I252-N254 PolarHBondContact O-N 3.21Å; N254-I256 PolarHBondContact O-N 3.33Å; N254-R257 PolarHBondContact O-N 3.07Å; N254-H258 CarbonylContact O-C 3.47Å; N254-H258 VanDerWaalsContact O-CA 3.31Å; N254-H258 WeakPolarHBondContact O-CA 3.43Å; N254-H258 WeakPolarHBondContact O-CB 3.41Å; N254-H258 PolarHBondContact O-N 3.4Å; N254-W263 HydrophobicContact CB-CD2 3.67Å; N254-W263 HydrophobicContact CB-CE3 4.29Å; N254-W263 HydrophobicContact CB-CG 3.79Å; N254-W263 HydrophobicContact CB-CZ2 4.28Å; N254-D269 PolarHBondContact ND2-OD2 3.36Å; N254-D269 WeakPolarHBondContact OD1-CB 3.46Å
255Y87.4Confident82.9Confident141 Ų14162.3 Ų62.355%0.55331%0.306SS*.Hα-helixtrans-62.1-40.8174-179-101.2000112.6T251 I252 P259 W263T251-Y255 WeakPolarHBondContact O-CB 3.38Å; T251-Y255 PolarHBondContact O-N 3.25Å; I252-Y255 PolarHBondContact O-N 2.86Å; Y255-P259 WeakPolarHBondContact O-CA 3.41Å; Y255-P259 WeakPolarHBondContact O-CB 3.33Å; Y255-W263 HydrophobicContact CD2-CZ2 4.34Å
256I88.1Confident81.3Confident124 Ų12460.5 Ų60.564%0.63629%0.293SS*.Hα-helixtrans-70.9-42.6178.9-67.5167.2000111.7I252 N254I252-I256 HydrophobicContact CG2-CD1 3.71Å; I252-I256 HydrophobicContact CG2-CG1 4.5Å; I252-I256 VanDerWaalsContact O-CG1 3.3Å; I252-I256 WeakPolarHBondContact O-CG1 3.37Å; I252-I256 PolarHBondContact O-N 3.16Å; N254-I256 PolarHBondContact O-N 3.33Å
257R83.9Confident79.5Confident147 Ų14761.5 Ų61.556%0.55531%0.31SS*.Hα-helixtrans-81.6-37.3-176.5-69.1180-179.2163.43113.6M253 N254 P259M253-R257 WeakPolarHBondContact O-CB 3.25Å; M253-R257 WeakPolarHBondContact O-CG 3.19Å; M253-R257 PolarHBondContact O-N 3.16Å; M253-R257 VanDerWaalsContact O-N 3.09Å; M253-R257 PolarHBondContact SD-NH1 3.45Å; M253-R257 VanDerWaalsContact SD-NH1 3.36Å; N254-R257 PolarHBondContact O-N 3.07Å; R257-P259 VanDerWaalsContact C-CD 3.49Å
258H81.6Confident77.8Confident38 Ų3865.7 Ų65.718%0.17634%0.336CS..  trans-13462.2-167.8-59.1-71.7000110.3N254 T260 E261 W263 Y266N254-H258 CarbonylContact O-C 3.47Å; N254-H258 VanDerWaalsContact O-CA 3.31Å; N254-H258 WeakPolarHBondContact O-CA 3.43Å; N254-H258 WeakPolarHBondContact O-CB 3.41Å; N254-H258 PolarHBondContact O-N 3.4Å; H258-T260 VanDerWaalsContact C-N 3.34Å; H258-T260 PolarHBondContact O-N 2.93Å; H258-E261 HydrophobicContact CB-CB 4.34Å; H258-E261 WeakPolarHBondContact CB-OE2 3.24Å; H258-E261 IonicContact CE1-OE2 3.19Å; H258-E261 IonicContact CG-OE2 3.35Å; H258-E261 IonicContact ND1-OE2 2.8Å; H258-E261 PolarHBondContact ND1-OE2 3.45Å; H258-W263 PolarHBondContact O-NE1 3.02Å; H258-W263 VanDerWaalsContact O-NE1 3.09Å; H258-Y266 HydrophobicContact CB-CE2 4.3Å; H258-Y266 AromaticContact CE1-CD1 3.76Å; H258-Y266 AromaticContact CE1-CE1 3.55Å; H258-Y266 AromaticContact CE1-CZ 3.8Å; H258-Y266 AromaticContact CG-CE2 3.91Å; H258-Y266 AromaticContact ND1-CE1 3.82Å; H258-Y266 AromaticContact ND1-CE2 3.72Å; H258-Y266 AromaticContact ND1-CZ 3.56Å; H258-Y266 AromaticContact NE2-CD1 3.94Å
259P77.4Confident76.5Confident55 Ų5562.5 Ų62.536%0.35732%0.317SS..THydrogen-bonded Turntrans-70.8-25.8-173.627.5-35.6000113.8Y255 R257Y255-P259 WeakPolarHBondContact O-CA 3.41Å; Y255-P259 WeakPolarHBondContact O-CB 3.33Å; R257-P259 VanDerWaalsContact C-CD 3.49Å
260T69.6Low75.5Confident60 Ų6061.1 Ų61.137%0.36831%0.312SS..THydrogen-bonded Turntrans-107.11.4-173.947.50000114.1N189 H258N189-T260 PolarHBondContact ND2-O 3.38Å; H258-T260 VanDerWaalsContact C-N 3.34Å; H258-T260 PolarHBondContact O-N 2.93Å
261E68.6Low75Confident43 Ų4367.7 Ų67.720%0.20134%0.338CS..SBendtrans-118.3166.1-167.8-64161166.900110.9N193 H258 Y266N193-E261 PolarHBondContact ND2-O 3.48Å; H258-E261 HydrophobicContact CB-CB 4.34Å; H258-E261 WeakPolarHBondContact CB-OE2 3.24Å; H258-E261 IonicContact CE1-OE2 3.19Å; H258-E261 IonicContact CG-OE2 3.35Å; H258-E261 IonicContact ND1-OE2 2.8Å; H258-E261 PolarHBondContact ND1-OE2 3.45Å; E261-Y266 HydrophobicContact CB-CE2 4.07Å; E261-Y266 PolarHBondContact OE2-OH 2.93Å
262F72.2Confident74.7Confident10 Ų1068.2 Ų68.24%0.04434%0.339CS..  trans-86.3127.4177.1-59.1-64000111.3I8 I177 N189 L192 L264 F265I8-F262 HydrophobicContact CB-CE2 3.76Å; I8-F262 HydrophobicContact CD1-CE2 3.48Å; I8-F262 VanDerWaalsContact CD1-CE2 3.48Å; I8-F262 HydrophobicContact CD1-CZ 3.47Å; I8-F262 VanDerWaalsContact CD1-CZ 3.47Å; I8-F262 HydrophobicContact CG1-CE2 4.11Å; I8-F262 HydrophobicContact CG2-CD2 4.22Å; I8-F262 HydrophobicContact CG2-CE2 3.59Å; I8-F262 HydrophobicContact CG2-CZ 4.11Å; I177-F262 HydrophobicContact CD1-CE1 4.15Å; I177-F262 HydrophobicContact CD1-CZ 3.62Å; N189-F262 HydrophobicContact CB-CE1 4.04Å; N189-F262 WeakPolarHBondContact OD1-CD1 3.4Å; N189-F262 WeakPolarHBondContact OD1-CE1 3.39Å; L192-F262 HydrophobicContact CD2-CD1 3.73Å; L192-F262 HydrophobicContact CD2-CE1 3.71Å; L192-F262 HydrophobicContact CG-CD1 4.44Å; F262-L264 PolarHBondContact O-N 3.06Å; F262-F265 HydrophobicContact CB-CD2 4.18Å; F262-F265 HydrophobicContact CB-CE2 4.17Å; F262-F265 HydrophobicContact CD2-CE2 4.36Å
263W75.6Confident74.3Confident14 Ų1464.7 Ų64.75%0.05332%0.321CS..THydrogen-bonded Turntrans-74.825.4179.1-52.1-19.5000114.3N193 S197 R250 T251 N254 Y255 H258N193-W263 HydrophobicContact CB-CD2 3.84Å; N193-W263 HydrophobicContact CB-CE3 3.72Å; N193-W263 HydrophobicContact CB-CG 4.46Å; N193-W263 HydrophobicContact CB-CH2 4.12Å; N193-W263 HydrophobicContact CB-CZ2 4.21Å; N193-W263 HydrophobicContact CB-CZ3 3.86Å; N193-W263 PolarHBondContact OD1-N 3.32Å; S197-W263 WeakPolarHBondContact OG-CZ3 3.3Å; R250-W263 PolarHBondContact NH2-O 3.21Å; T251-W263 HydrophobicContact CG2-CH2 3.86Å; T251-W263 HydrophobicContact CG2-CZ3 3.8Å; N254-W263 HydrophobicContact CB-CD2 3.67Å; N254-W263 HydrophobicContact CB-CE3 4.29Å; N254-W263 HydrophobicContact CB-CG 3.79Å; N254-W263 HydrophobicContact CB-CZ2 4.28Å; Y255-W263 HydrophobicContact CD2-CZ2 4.34Å; H258-W263 PolarHBondContact O-NE1 3.02Å; H258-W263 VanDerWaalsContact O-NE1 3.09Å
264L67.2Low73.9Confident84 Ų8464.3 Ų64.344%0.4432%0.321SS..THydrogen-bonded Turntrans-93.9-25.9176.5-17064.9000112.3M1 I196 F262M1-L264 HydrophobicContact SD-CD2 4.14Å; I196-L264 HydrophobicContact CD1-CB 4.13Å; F262-L264 PolarHBondContact O-N 3.06Å
265F55.1Low73.9Confident96 Ų9668.5 Ų68.542%0.42134%0.343SS..SBendtrans-102.3-13.7-168.3-60.9-68.9000114.9S5 F262S5-F265 VanDerWaalsContact CB-CZ 3.42Å; F262-F265 HydrophobicContact CB-CD2 4.18Å; F262-F265 HydrophobicContact CB-CE2 4.17Å; F262-F265 HydrophobicContact CD2-CE2 4.36Å
266Y61.1Low74Confident63 Ų6363.1 Ų63.125%0.24733%0.325CS..  trans-83.8131.9-179.9-63.4-72.3000111.5H258 E261H258-Y266 HydrophobicContact CB-CE2 4.3Å; H258-Y266 AromaticContact CE1-CD1 3.76Å; H258-Y266 AromaticContact CE1-CE1 3.55Å; H258-Y266 AromaticContact CE1-CZ 3.8Å; H258-Y266 AromaticContact CG-CE2 3.91Å; H258-Y266 AromaticContact ND1-CE1 3.82Å; H258-Y266 AromaticContact ND1-CE2 3.72Å; H258-Y266 AromaticContact ND1-CZ 3.56Å; H258-Y266 AromaticContact NE2-CD1 3.94Å; E261-Y266 HydrophobicContact CB-CE2 4.07Å; E261-Y266 PolarHBondContact OE2-OH 2.93Å
267G55.8Low74Confident48 Ų4857.6 Ų57.650%0.49530%0.298SS..SBendtrans-96.8-17-175.100000114.7V270G267-V270 WeakPolarHBondContact O-CB 3.49Å; G267-V270 PolarHBondContact O-N 2.84Å
268T58.9Low74.1Confident97 Ų9754.1 Ų54.160%0.59529%0.29SS*.THydrogen-bonded Turntrans-78.6-27.4-171.850.50000113.3
269D66.7Low74.5Confident1 Ų157.1 Ų57.11%0.00531%0.306CS..THydrogen-bonded Turntrans-82.1-14.1174.467.4-50000113R250 M253 N254 Y271 L272R250-D269 HydrophobicContact CG-CB 4.4Å; R250-D269 IonicContact CZ-OD2 2.7Å; R250-D269 IonicContact NE-OD2 2.73Å; R250-D269 PolarHBondContact NE-OD2 3.23Å; R250-D269 IonicContact NH2-OD2 3.37Å; R250-D269 PolarHBondContact NH2-OD2 2.97Å; M253-D269 HydrophobicContact CE-CB 3.49Å; M253-D269 VanDerWaalsContact CE-CB 3.49Å; N254-D269 PolarHBondContact ND2-OD2 3.36Å; N254-D269 WeakPolarHBondContact OD1-CB 3.46Å; D269-Y271 VanDerWaalsContact C-N 3.29Å; D269-Y271 PolarHBondContact O-N 2.99Å; D269-L272 WeakPolarHBondContact O-CB 3.43Å; D269-L272 PolarHBondContact O-N 2.94Å
270V71.6Confident75.1Confident57 Ų5755.2 Ų55.235%0.34529%0.293SS..Hα-helixtrans-58.9-40.3175.7179.10000111.2G267 L272 I273 T274G267-V270 WeakPolarHBondContact O-CB 3.49Å; G267-V270 PolarHBondContact O-N 2.84Å; V270-L272 PolarHBondContact O-N 3.24Å; V270-I273 PolarHBondContact O-N 3.42Å; V270-I273 VanDerWaalsContact O-N 3.09Å; V270-T274 WeakPolarHBondContact CG1-OG1 3.47Å; V270-T274 WeakPolarHBondContact O-CB 3.29Å; V270-T274 PolarHBondContact O-N 2.97Å; V270-T274 PolarHBondContact O-OG1 2.91Å; V270-T274 VanDerWaalsContact O-OG1 3.12Å
271Y79.5Confident75.8Confident154 Ų15453.5 Ų53.560%0.60428%0.281SS*.Hα-helixtrans-58.3-32.7179.1-64-68.7000113.5D269 I273 T274 I275D269-Y271 VanDerWaalsContact C-N 3.29Å; D269-Y271 PolarHBondContact O-N 2.99Å; Y271-I273 PolarHBondContact O-N 3.45Å; Y271-T274 PolarHBondContact O-N 3.34Å; Y271-I275 WeakPolarHBondContact O-CB 3.29Å; Y271-I275 WeakPolarHBondContact O-CG1 3.48Å; Y271-I275 PolarHBondContact O-N 2.96Å; Y271-I275 VanDerWaalsContact O-N 3.07Å
272L83.1Confident76.6Confident51 Ų5152.9 Ų52.927%0.26729%0.287SS..Hα-helixtrans-63.4-25.4179.6-176.860.5000112.5L246 I249 R250 M253 D269 V270 P276L246-L272 HydrophobicContact CD2-CD1 4.45Å; I249-L272 HydrophobicContact CG2-CD2 4.03Å; R250-L272 HydrophobicContact CB-CD2 3.91Å; M253-L272 HydrophobicContact CE-CD2 4.37Å; D269-L272 WeakPolarHBondContact O-CB 3.43Å; D269-L272 PolarHBondContact O-N 2.94Å; V270-L272 PolarHBondContact O-N 3.24Å; L272-P276 WeakPolarHBondContact O-CD 3.45Å; L272-P276 WeakPolarHBondContact O-CG 3.25Å
273I81.9Confident77.5Confident26 Ų2655.6 Ų55.613%0.13330%0.301CS..Hα-helixtrans-99.4-45.1176.8-53.2172.4000110.7A200 L204 I247 R250 V270 Y271 I275 P276 A277A200-I273 HydrophobicContact CB-CD1 3.89Å; L204-I273 HydrophobicContact CB-CG2 4.32Å; L204-I273 HydrophobicContact CD1-CG2 4.49Å; I247-I273 HydrophobicContact CD1-CD1 3.79Å; I247-I273 HydrophobicContact CD1-CG1 4.02Å; R250-I273 VanDerWaalsContact CD-CD1 3.43Å; V270-I273 PolarHBondContact O-N 3.42Å; V270-I273 VanDerWaalsContact O-N 3.09Å; Y271-I273 PolarHBondContact O-N 3.45Å; I273-I275 PolarHBondContact O-N 3.19Å; I273-P276 WeakPolarHBondContact O-CD 3.18Å; I273-A277 WeakPolarHBondContact O-CB 3.22Å; I273-A277 PolarHBondContact O-N 3.43Å; I273-A277 VanDerWaalsContact O-N 3.07Å
274T81.9Confident78Confident38 Ų3855.7 Ų55.723%0.23330%0.303CS..Hα-helixtrans-65.4-39-173-60.80000112.4V270 Y271 A277 L278 I656V270-T274 WeakPolarHBondContact CG1-OG1 3.47Å; V270-T274 WeakPolarHBondContact O-CB 3.29Å; V270-T274 PolarHBondContact O-N 2.97Å; V270-T274 PolarHBondContact O-OG1 2.91Å; V270-T274 VanDerWaalsContact O-OG1 3.12Å; Y271-T274 PolarHBondContact O-N 3.34Å; T274-A277 PolarHBondContact O-N 3.38Å; T274-L278 HydrophobicContact CG2-CD1 4.14Å; T274-L278 HydrophobicContact CG2-CG 4.35Å; T274-L278 WeakPolarHBondContact O-CB 3.42Å; T274-L278 WeakPolarHBondContact O-CG 3.41Å; T274-L278 PolarHBondContact O-N 3.03Å; T274-I656 HydrophobicContact CG2-CD1 3.7Å; T274-I656 HydrophobicContact CG2-CG1 4.28Å
275I85.7Confident78.8Confident91 Ų9154.4 Ų54.447%0.46730%0.299SS..Hα-helixtrans-65.5-51.6179.8-65.4169.6000111.3Y271 I273 A277 L278 I279Y271-I275 WeakPolarHBondContact O-CB 3.29Å; Y271-I275 WeakPolarHBondContact O-CG1 3.48Å; Y271-I275 PolarHBondContact O-N 2.96Å; Y271-I275 VanDerWaalsContact O-N 3.07Å; I273-I275 PolarHBondContact O-N 3.19Å; I275-A277 VanDerWaalsContact C-N 3.32Å; I275-A277 PolarHBondContact O-N 3.44Å; I275-L278 PolarHBondContact O-N 2.98Å; I275-I279 HydrophobicContact CG2-CD1 3.96Å; I275-I279 WeakPolarHBondContact O-CG1 3.5Å; I275-I279 PolarHBondContact O-N 2.7Å
276P89.3Confident80.3Confident28 Ų2854 Ų5418%0.18230%0.3CS..Hα-helixtrans-56.2-41.2171.9-28.936.3000114L204 L246 L272 I273 I279 L280L204-P276 HydrophobicContact CD1-CB 4.48Å; L246-P276 HydrophobicContact CD1-CB 4.07Å; L246-P276 HydrophobicContact CD1-CG 3.97Å; L272-P276 WeakPolarHBondContact O-CD 3.45Å; L272-P276 WeakPolarHBondContact O-CG 3.25Å; I273-P276 WeakPolarHBondContact O-CD 3.18Å; P276-I279 PolarHBondContact O-N 2.97Å; P276-L280 WeakPolarHBondContact O-CB 3.45Å; P276-L280 WeakPolarHBondContact O-CD1 3.37Å; P276-L280 VanDerWaalsContact O-CG 3.26Å; P276-L280 WeakPolarHBondContact O-CG 3.31Å; P276-L280 PolarHBondContact O-N 3.4Å
277A87.6Confident81.6Confident9 Ų952.4 Ų52.47%0.07430%0.295CS..Hα-helixtrans-61.5-44.9177.900000112.3F207 I273 T274 I275 I279 L280 L281F207-A277 HydrophobicContact CD1-CB 4.24Å; F207-A277 HydrophobicContact CD2-CB 3.65Å; F207-A277 HydrophobicContact CE1-CB 4.29Å; F207-A277 HydrophobicContact CE2-CB 3.72Å; F207-A277 HydrophobicContact CG-CB 3.93Å; F207-A277 HydrophobicContact CZ-CB 4.04Å; I273-A277 WeakPolarHBondContact O-CB 3.22Å; I273-A277 PolarHBondContact O-N 3.43Å; I273-A277 VanDerWaalsContact O-N 3.07Å; T274-A277 PolarHBondContact O-N 3.38Å; I275-A277 VanDerWaalsContact C-N 3.32Å; I275-A277 PolarHBondContact O-N 3.44Å; A277-I279 PolarHBondContact O-N 2.85Å; A277-L280 PolarHBondContact O-N 3.47Å; A277-L281 VanDerWaalsContact O-CB 3.23Å; A277-L281 WeakPolarHBondContact O-CB 3.49Å; A277-L281 PolarHBondContact O-N 2.92Å
278L85.8Confident82.8Confident73 Ų7351.3 Ų51.338%0.38228%0.277SS..Hα-helixtrans-61.2-41.2174.9-76.6175000112.6T274 I275 L281 G282 I656T274-L278 HydrophobicContact CG2-CD1 4.14Å; T274-L278 HydrophobicContact CG2-CG 4.35Å; T274-L278 WeakPolarHBondContact O-CB 3.42Å; T274-L278 WeakPolarHBondContact O-CG 3.41Å; T274-L278 PolarHBondContact O-N 3.03Å; I275-L278 PolarHBondContact O-N 2.98Å; L278-L281 PolarHBondContact O-N 3.47Å; L278-G282 PolarHBondContact O-N 3.3Å; L278-I656 HydrophobicContact CD1-CD1 4.08Å; L278-I656 HydrophobicContact CD2-CD1 3.71Å; L278-I656 HydrophobicContact CG-CD1 4.06Å
279I90Very high84Confident101 Ų10151.7 Ų51.752%0.51828%0.275SS..Hα-helixtrans-64.7-49.1177.6-66.9165.8000110.5I275 P276 A277 L281 G282 L283I275-I279 HydrophobicContact CG2-CD1 3.96Å; I275-I279 WeakPolarHBondContact O-CG1 3.5Å; I275-I279 PolarHBondContact O-N 2.7Å; P276-I279 PolarHBondContact O-N 2.97Å; A277-I279 PolarHBondContact O-N 2.85Å; I279-L281 VanDerWaalsContact C-N 3.29Å; I279-L281 PolarHBondContact O-N 2.92Å; I279-G282 PolarHBondContact O-N 3.4Å; I279-L283 HydrophobicContact CG2-CD1 4.08Å; I279-L283 WeakPolarHBondContact O-CG 3.08Å; I279-L283 PolarHBondContact O-N 2.99Å
280L90.7Very high85Confident15 Ų1554.5 Ų54.58%0.07929%0.289CS..Hα-helixtrans-60.6-39.2178.5-69.6165.3000112F207 V208 F211 P276 A277 N284F207-L280 HydrophobicContact CB-CB 4.38Å; F207-L280 HydrophobicContact CB-CD1 3.93Å; V208-L280 HydrophobicContact CG2-CD1 3.65Å; F211-L280 HydrophobicContact CB-CD2 3.83Å; F211-L280 HydrophobicContact CD1-CD2 4.07Å; F211-L280 HydrophobicContact CD2-CD2 4.03Å; F211-L280 HydrophobicContact CG-CD2 3.69Å; P276-L280 WeakPolarHBondContact O-CB 3.45Å; P276-L280 WeakPolarHBondContact O-CD1 3.37Å; P276-L280 VanDerWaalsContact O-CG 3.26Å; P276-L280 WeakPolarHBondContact O-CG 3.31Å; P276-L280 PolarHBondContact O-N 3.4Å; A277-L280 PolarHBondContact O-N 3.47Å; L280-N284 PolarHBondContact O-N 3.14Å; L280-N284 PolarHBondContact O-ND2 3.23Å; L280-N284 VanDerWaalsContact O-ND2 3.1Å
281L84.5Confident85.6Confident24 Ų2452.9 Ų52.913%0.12628%0.278CS..Hα-helixtrans-64.1-48.5173.8174.569.3000111.8A277 L278 I279 L283 N284 V285 I653A277-L281 VanDerWaalsContact O-CB 3.23Å; A277-L281 WeakPolarHBondContact O-CB 3.49Å; A277-L281 PolarHBondContact O-N 2.92Å; L278-L281 PolarHBondContact O-N 3.47Å; I279-L281 VanDerWaalsContact C-N 3.29Å; I279-L281 PolarHBondContact O-N 2.92Å; L281-L283 VanDerWaalsContact C-N 3.32Å; L281-L283 PolarHBondContact O-N 3.32Å; L281-N284 WeakPolarHBondContact O-CB 3.49Å; L281-N284 PolarHBondContact O-N 3.27Å; L281-N284 VanDerWaalsContact O-N 3.09Å; L281-V285 WeakPolarHBondContact O-CG2 3.31Å; L281-V285 PolarHBondContact O-N 2.98Å; L281-I653 HydrophobicContact CD1-CD1 4.47Å; L281-I653 HydrophobicContact CD2-CD1 3.35Å; L281-I653 HydrophobicContact CD2-CG1 3.39Å; L281-I653 HydrophobicContact CG-CD1 4.43Å
282G85.5Confident85.7Confident31 Ų3147.2 Ų47.232%0.3226%0.258SS..Hα-helixtrans-59.1-41.7177.100000112.6L278 I279 N284 V285 I286L278-G282 PolarHBondContact O-N 3.3Å; I279-G282 PolarHBondContact O-N 3.4Å; G282-N284 VanDerWaalsContact C-N 3.34Å; G282-N284 PolarHBondContact O-N 3.01Å; G282-V285 WeakPolarHBondContact O-CB 3.34Å; G282-V285 PolarHBondContact O-N 3.1Å; G282-I286 WeakPolarHBondContact O-CG1 3.4Å; G282-I286 PolarHBondContact O-N 2.87Å; G282-I286 VanDerWaalsContact O-N 3.08Å
283L90.3Very high85.9Confident66 Ų6652.7 Ų52.735%0.34628%0.276SS..Hα-helixtrans-62.4-38.6173.4-68.3171.7000112.3F211 I279 L281 I286 F287F211-L283 HydrophobicContact CD2-CB 4.06Å; F211-L283 HydrophobicContact CD2-CD1 4.34Å; F211-L283 HydrophobicContact CE2-CB 3.93Å; F211-L283 HydrophobicContact CE2-CD1 3.78Å; F211-L283 HydrophobicContact CE2-CG 4.47Å; I279-L283 HydrophobicContact CG2-CD1 4.08Å; I279-L283 WeakPolarHBondContact O-CG 3.08Å; I279-L283 PolarHBondContact O-N 2.99Å; L281-L283 VanDerWaalsContact C-N 3.32Å; L281-L283 PolarHBondContact O-N 3.32Å; L283-I286 HydrophobicContact CD2-CD1 4.49Å; L283-I286 PolarHBondContact O-N 3.09Å; L283-F287 WeakPolarHBondContact O-CD2 3.41Å; L283-F287 VanDerWaalsContact O-CG 3.32Å; L283-F287 WeakPolarHBondContact O-CG 3.43Å; L283-F287 PolarHBondContact O-N 3.45Å
284N85.1Confident86.1Confident16 Ų1651.9 Ų51.99%0.08627%0.273CS..Hα-helixtrans-63.7-38.8173.3-81.8-44000112.8M210 F211 L280 L281 G282 I286 F287 L288M210-N284 PolarHBondContact O-OD1 3.37Å; F211-N284 WeakPolarHBondContact CA-ND2 3.49Å; F211-N284 WeakPolarHBondContact CA-OD1 3.46Å; F211-N284 PolarHBondContact N-ND2 2.99Å; L280-N284 PolarHBondContact O-N 3.14Å; L280-N284 PolarHBondContact O-ND2 3.23Å; L280-N284 VanDerWaalsContact O-ND2 3.1Å; L281-N284 WeakPolarHBondContact O-CB 3.49Å; L281-N284 PolarHBondContact O-N 3.27Å; L281-N284 VanDerWaalsContact O-N 3.09Å; G282-N284 VanDerWaalsContact C-N 3.34Å; G282-N284 PolarHBondContact O-N 3.01Å; N284-I286 VanDerWaalsContact C-N 3.33Å; N284-I286 PolarHBondContact O-N 3.47Å; N284-F287 PolarHBondContact O-N 2.82Å; N284-L288 PolarHBondContact O-N 3.39Å
285V84.4Confident85.9Confident58 Ų5852.6 Ų52.635%0.35228%0.276SS..Hα-helixtrans-59.9-45.4173-178.10000110.7L281 G282 L288 I289 M645L281-V285 WeakPolarHBondContact O-CG2 3.31Å; L281-V285 PolarHBondContact O-N 2.98Å; G282-V285 WeakPolarHBondContact O-CB 3.34Å; G282-V285 PolarHBondContact O-N 3.1Å; V285-L288 PolarHBondContact O-N 3.04Å; V285-I289 HydrophobicContact CG1-CD1 3.98Å; V285-I289 WeakPolarHBondContact O-CG1 3.43Å; V285-I289 PolarHBondContact O-N 3.45Å; V285-M645 HydrophobicContact CB-CE 4.15Å; V285-M645 HydrophobicContact CG1-CE 4.28Å; V285-M645 HydrophobicContact CG2-CE 3.74Å; V285-M645 HydrophobicContact CG2-SD 4.47Å
286I88.1Confident85.7Confident88 Ų8852.3 Ų52.345%0.45128%0.275SS..Hα-helixtrans-60.5-47.5177.1-66.5165.1000110.6G282 L283 N284 L288 I289 I290G282-I286 WeakPolarHBondContact O-CG1 3.4Å; G282-I286 PolarHBondContact O-N 2.87Å; G282-I286 VanDerWaalsContact O-N 3.08Å; L283-I286 HydrophobicContact CD2-CD1 4.49Å; L283-I286 PolarHBondContact O-N 3.09Å; N284-I286 VanDerWaalsContact C-N 3.33Å; N284-I286 PolarHBondContact O-N 3.47Å; I286-L288 VanDerWaalsContact C-N 3.34Å; I286-L288 PolarHBondContact O-N 3.48Å; I286-I289 PolarHBondContact O-N 3.29Å; I286-I290 HydrophobicContact CG2-CD1 3.79Å; I286-I290 HydrophobicContact CG2-CG1 4.48Å; I286-I290 VanDerWaalsContact O-CG1 3.29Å; I286-I290 WeakPolarHBondContact O-CG1 3.3Å; I286-I290 PolarHBondContact O-N 3.21Å
287F86.4Confident85.5Confident29 Ų2953.5 Ų53.513%0.12728%0.28CS..Hα-helixtrans-59.9-40.9176.5-64.2-26.4000112.7F211 L215 L283 N284 I290 I291F211-F287 AromaticContact CD2-CE2 3.74Å; F211-F287 HydrophobicContact CD2-CE2 3.74Å; F211-F287 HydrophobicContact CD2-CZ 4.45Å; F211-F287 AromaticContact CE2-CE2 3.42Å; F211-F287 HydrophobicContact CE2-CE2 3.42Å; F211-F287 VanDerWaalsContact CE2-CE2 3.42Å; F211-F287 AromaticContact CE2-CZ 3.7Å; F211-F287 HydrophobicContact CE2-CZ 3.7Å; F211-F287 HydrophobicContact CZ-CE2 4.19Å; F211-F287 HydrophobicContact CZ-CZ 4.25Å; L215-F287 HydrophobicContact CB-CE2 3.91Å; L215-F287 HydrophobicContact CB-CZ 4.32Å; L215-F287 HydrophobicContact CD1-CE2 4.44Å; L215-F287 HydrophobicContact CD1-CZ 4Å; L283-F287 WeakPolarHBondContact O-CD2 3.41Å; L283-F287 VanDerWaalsContact O-CG 3.32Å; L283-F287 WeakPolarHBondContact O-CG 3.43Å; L283-F287 PolarHBondContact O-N 3.45Å; N284-F287 PolarHBondContact O-N 2.82Å; F287-I290 PolarHBondContact O-N 3.27Å; F287-I291 WeakPolarHBondContact O-CB 3.25Å; F287-I291 WeakPolarHBondContact O-CD1 3.33Å; F287-I291 WeakPolarHBondContact O-CG1 3.3Å; F287-I291 PolarHBondContact O-N 2.98Å
288L82Confident85.1Confident24 Ų2457.4 Ų57.413%0.12630%0.295CS..Hα-helixtrans-61.6-46.5175.9179.471.5000111.5N284 V285 I286 I290 I291 L292 L642 M645N284-L288 PolarHBondContact O-N 3.39Å; V285-L288 PolarHBondContact O-N 3.04Å; I286-L288 VanDerWaalsContact C-N 3.34Å; I286-L288 PolarHBondContact O-N 3.48Å; L288-I290 VanDerWaalsContact C-N 3.33Å; L288-I290 PolarHBondContact O-N 3.29Å; L288-I291 PolarHBondContact O-N 3.26Å; L288-L292 HydrophobicContact CD1-CD1 4.11Å; L288-L292 HydrophobicContact CD1-CG 4.06Å; L288-L292 HydrophobicContact CD2-CD1 4.2Å; L288-L292 HydrophobicContact CG-CD1 3.8Å; L288-L292 HydrophobicContact CG-CG 4.16Å; L288-L292 WeakPolarHBondContact O-CB 3.36Å; L288-L292 VanDerWaalsContact O-CG 3.27Å; L288-L292 WeakPolarHBondContact O-CG 3.47Å; L288-L292 PolarHBondContact O-N 3.43Å; L288-L642 HydrophobicContact CD2-CD1 4.31Å; L288-M645 HydrophobicContact CB-CE 4.21Å; L288-M645 HydrophobicContact CB-SD 3.45Å; L288-M645 WeakPolarHBondContact CB-SD 3.23Å; L288-M645 HydrophobicContact CD2-CB 4.14Å; L288-M645 HydrophobicContact CD2-CE 3.42Å; L288-M645 VanDerWaalsContact CD2-CE 3.42Å; L288-M645 HydrophobicContact CD2-CG 4.49Å; L288-M645 HydrophobicContact CD2-SD 3.53Å; L288-M645 VanDerWaalsContact CD2-SD 3.53Å; L288-M645 HydrophobicContact CG-CE 4.42Å; L288-M645 HydrophobicContact CG-SD 4.03Å
289I84.9Confident84.5Confident106 Ų10655.5 Ų55.554%0.54429%0.285SS..Hα-helixtrans-58.9-46.5179.5-67.5165.3000110.4V285 I286 L292 Y293V285-I289 HydrophobicContact CG1-CD1 3.98Å; V285-I289 WeakPolarHBondContact O-CG1 3.43Å; V285-I289 PolarHBondContact O-N 3.45Å; I286-I289 PolarHBondContact O-N 3.29Å; I289-L292 PolarHBondContact O-N 3.49Å; I289-Y293 WeakPolarHBondContact O-CB 3.31Å; I289-Y293 PolarHBondContact O-N 3.19Å
290I87.5Confident84.1Confident59 Ų5959 Ų5930%0.30329%0.292SS..Hα-helixtrans-60.8-47.2176.8-65.3169.9000111Y222 I286 F287 L288 Y293 A294Y222-I290 HydrophobicContact CE2-CG2 3.62Å; Y222-I290 WeakPolarHBondContact OH-CG2 3.4Å; I286-I290 HydrophobicContact CG2-CD1 3.79Å; I286-I290 HydrophobicContact CG2-CG1 4.48Å; I286-I290 VanDerWaalsContact O-CG1 3.29Å; I286-I290 WeakPolarHBondContact O-CG1 3.3Å; I286-I290 PolarHBondContact O-N 3.21Å; F287-I290 PolarHBondContact O-N 3.27Å; L288-I290 VanDerWaalsContact C-N 3.33Å; L288-I290 PolarHBondContact O-N 3.29Å; I290-Y293 PolarHBondContact O-N 2.69Å; I290-A294 WeakPolarHBondContact O-CB 3.33Å; I290-A294 PolarHBondContact O-N 2.97Å
291I84.3Confident83.6Confident24 Ų2464 Ų6412%0.12331%0.313CS..Hα-helixtrans-64.3-42.6179.8-70.3164.3000111L217 C218 F287 L288 A294 L295L217-I291 HydrophobicContact CB-CD1 3.85Å; C218-I291 HydrophobicContact CB-CD1 4.3Å; C218-I291 HydrophobicContact CB-CG1 4.46Å; F287-I291 WeakPolarHBondContact O-CB 3.25Å; F287-I291 WeakPolarHBondContact O-CD1 3.33Å; F287-I291 WeakPolarHBondContact O-CG1 3.3Å; F287-I291 PolarHBondContact O-N 2.98Å; L288-I291 PolarHBondContact O-N 3.26Å; I291-A294 PolarHBondContact O-N 2.93Å; I291-L295 HydrophobicContact CG2-CD1 3.8Å; I291-L295 HydrophobicContact CG2-CG 4.29Å; I291-L295 WeakPolarHBondContact O-CB 3.23Å; I291-L295 VanDerWaalsContact O-CG 3.22Å; I291-L295 WeakPolarHBondContact O-CG 3.35Å; I291-L295 PolarHBondContact O-N 3.07Å
292L81Confident83.2Confident34 Ų3469.8 Ų69.818%0.17833%0.333CS..Hα-helixtrans-62.6-43.5176.7-72.8174.7000111.5L288 I289 L295 N296 V638 L642L288-L292 HydrophobicContact CD1-CD1 4.11Å; L288-L292 HydrophobicContact CD1-CG 4.06Å; L288-L292 HydrophobicContact CD2-CD1 4.2Å; L288-L292 HydrophobicContact CG-CD1 3.8Å; L288-L292 HydrophobicContact CG-CG 4.16Å; L288-L292 WeakPolarHBondContact O-CB 3.36Å; L288-L292 VanDerWaalsContact O-CG 3.27Å; L288-L292 WeakPolarHBondContact O-CG 3.47Å; L288-L292 PolarHBondContact O-N 3.43Å; I289-L292 PolarHBondContact O-N 3.49Å; L292-L295 PolarHBondContact O-N 3.39Å; L292-N296 WeakPolarHBondContact O-CB 3.27Å; L292-N296 VanDerWaalsContact O-CG 3.25Å; L292-N296 PolarHBondContact O-N 3.12Å; L292-N296 PolarHBondContact O-ND2 3.23Å; L292-V638 HydrophobicContact CD2-CG1 4.12Å; L292-V638 HydrophobicContact CD2-CG2 4.37Å; L292-L642 HydrophobicContact CD1-CD1 4.36Å
293Y87.8Confident82.6Confident167 Ų16772 Ų7266%0.65534%0.34SS*.Hα-helixtrans-60-50.6174.3177.9-94000111.9I289 I290 L295 N296 D297I289-Y293 WeakPolarHBondContact O-CB 3.31Å; I289-Y293 PolarHBondContact O-N 3.19Å; I290-Y293 PolarHBondContact O-N 2.69Å; Y293-L295 VanDerWaalsContact C-N 3.31Å; Y293-L295 PolarHBondContact O-N 2.94Å; Y293-N296 WeakPolarHBondContact O-CB 3.25Å; Y293-N296 PolarHBondContact O-N 3.27Å; Y293-D297 PolarHBondContact O-N 3.34Å
294A84.4Confident81.9Confident9 Ų972.1 Ų72.17%0.07434%0.34CS..Hα-helixtrans-64.8-32.2179.900000113.2V221 I290 I291 K298V221-A294 HydrophobicContact CG1-CB 3.58Å; I290-A294 WeakPolarHBondContact O-CB 3.33Å; I290-A294 PolarHBondContact O-N 2.97Å; I291-A294 PolarHBondContact O-N 2.93Å; A294-K298 WeakPolarHBondContact O-CB 3.34Å; A294-K298 VanDerWaalsContact O-CG 3.31Å; A294-K298 WeakPolarHBondContact O-CG 3.26Å; A294-K298 PolarHBondContact O-N 3.1Å
295L79.3Confident81.5Confident53 Ų5374.6 Ų74.628%0.27736%0.356SS..Hα-helixtrans-69.1-45.6172.1-74.7171.3000111.5I291 L292 Y293 D297 K298 L299I291-L295 HydrophobicContact CG2-CD1 3.8Å; I291-L295 HydrophobicContact CG2-CG 4.29Å; I291-L295 WeakPolarHBondContact O-CB 3.23Å; I291-L295 VanDerWaalsContact O-CG 3.22Å; I291-L295 WeakPolarHBondContact O-CG 3.35Å; I291-L295 PolarHBondContact O-N 3.07Å; L292-L295 PolarHBondContact O-N 3.39Å; Y293-L295 VanDerWaalsContact C-N 3.31Å; Y293-L295 PolarHBondContact O-N 2.94Å; L295-D297 PolarHBondContact O-N 3.36Å; L295-K298 PolarHBondContact O-N 3.4Å; L295-L299 WeakPolarHBondContact O-CB 3.24Å; L295-L299 WeakPolarHBondContact O-CD1 3.4Å; L295-L299 VanDerWaalsContact O-CG 3.27Å; L295-L299 WeakPolarHBondContact O-CG 3.4Å; L295-L299 PolarHBondContact O-N 3.2Å
296N81.6Confident81Confident84 Ų8475.6 Ų75.645%0.44936%0.363SS..Hα-helixtrans-57.4-46177.4-77.8-26.6000111.7L292 Y293 L299 R300 F634L292-N296 WeakPolarHBondContact O-CB 3.27Å; L292-N296 VanDerWaalsContact O-CG 3.25Å; L292-N296 PolarHBondContact O-N 3.12Å; L292-N296 PolarHBondContact O-ND2 3.23Å; Y293-N296 WeakPolarHBondContact O-CB 3.25Å; Y293-N296 PolarHBondContact O-N 3.27Å; N296-L299 PolarHBondContact O-N 3.24Å; N296-R300 WeakPolarHBondContact O-CB 3.29Å; N296-R300 PolarHBondContact O-N 3.06Å; N296-F634 WeakPolarHBondContact OD1-CZ 3.4Å
297D84.2Confident80.3Confident54 Ų5475.8 Ų75.829%0.28937%0.365SS..Hα-helixtrans-61.8-49.5175.5174.265.4000112.3Y293 L295 L299 R300 K301Y293-D297 PolarHBondContact O-N 3.34Å; L295-D297 PolarHBondContact O-N 3.36Å; D297-L299 PolarHBondContact O-N 3.45Å; D297-L299 VanDerWaalsContact O-N 3.09Å; D297-R300 PolarHBondContact O-N 3.4Å; D297-K301 VanDerWaalsContact CG-NZ 3.27Å; D297-K301 WeakPolarHBondContact O-CG 3.33Å; D297-K301 PolarHBondContact O-N 2.93Å; D297-K301 WeakPolarHBondContact OD1-CE 3.38Å; D297-K301 IonicContact OD1-NZ 3.07Å; D297-K301 PolarHBondContact OD1-NZ 3.46Å; D297-K301 WeakPolarHBondContact OD2-CE 3.42Å; D297-K301 IonicContact OD2-NZ 2.7Å; D297-K301 PolarHBondContact OD2-NZ 2.82Å
298K79.4Confident79.7Confident90 Ų9078.4 Ų78.439%0.39138%0.379SS..Hα-helixtrans-62.3-17177.1-73.9178.6-1761780113.7V221 A294 L295 R302V221-K298 PolarHBondContact O-NZ 3.48Å; A294-K298 WeakPolarHBondContact O-CB 3.34Å; A294-K298 VanDerWaalsContact O-CG 3.31Å; A294-K298 WeakPolarHBondContact O-CG 3.26Å; A294-K298 PolarHBondContact O-N 3.1Å; L295-K298 PolarHBondContact O-N 3.4Å; K298-R302 PolarHBondContact O-NE 3.04Å
299L73.4Confident79.2Confident34 Ų3481.7 Ų81.718%0.17840%0.397CS..Hα-helixtrans-94.5-41.8175.2-72.7161.5000112.1L295 N296 D297 K301 R302 V303 F634L295-L299 WeakPolarHBondContact O-CB 3.24Å; L295-L299 WeakPolarHBondContact O-CD1 3.4Å; L295-L299 VanDerWaalsContact O-CG 3.27Å; L295-L299 WeakPolarHBondContact O-CG 3.4Å; L295-L299 PolarHBondContact O-N 3.2Å; N296-L299 PolarHBondContact O-N 3.24Å; D297-L299 PolarHBondContact O-N 3.45Å; D297-L299 VanDerWaalsContact O-N 3.09Å; L299-K301 VanDerWaalsContact C-N 3.28Å; L299-K301 PolarHBondContact O-N 2.94Å; L299-R302 PolarHBondContact O-N 2.74Å; L299-R302 VanDerWaalsContact O-N 3.14Å; L299-V303 WeakPolarHBondContact O-CG2 3.43Å; L299-V303 PolarHBondContact O-N 3.04Å; L299-F634 HydrophobicContact CD1-CD1 4.07Å; L299-F634 HydrophobicContact CD1-CD2 3.09Å; L299-F634 HydrophobicContact CD1-CE1 4.02Å; L299-F634 HydrophobicContact CD1-CE2 3Å; L299-F634 HydrophobicContact CD1-CG 3.63Å; L299-F634 HydrophobicContact CD1-CZ 3.5Å; L299-F634 VanDerWaalsContact CD1-CZ 3.5Å; L299-F634 HydrophobicContact CG-CD2 4.45Å
300R80.7Confident78.4Confident175 Ų17579.4 Ų79.466%0.6639%0.394SS*.Hα-helixtrans-54.7-47.3171.5-174.1177.8-175.1-85.8-2.1110.6N296 D297 R302 V303 I304N296-R300 WeakPolarHBondContact O-CB 3.29Å; N296-R300 PolarHBondContact O-N 3.06Å; D297-R300 PolarHBondContact O-N 3.4Å; R300-R302 PolarHBondContact O-N 2.7Å; R300-V303 PolarHBondContact O-N 2.88Å; R300-I304 HydrophobicContact CG-CD1 3.99Å; R300-I304 VanDerWaalsContact O-CG1 3.29Å; R300-I304 WeakPolarHBondContact O-CG1 3.5Å; R300-I304 PolarHBondContact O-N 3.5Å
301K80.7Confident77.5Confident118 Ų11881.7 Ų81.751%0.51341%0.407SS..Hα-helixtrans-58.9-45.8175.3-73.7170177.4161.20112.2D297 L299 V303 I304 T305D297-K301 VanDerWaalsContact CG-NZ 3.27Å; D297-K301 WeakPolarHBondContact O-CG 3.33Å; D297-K301 PolarHBondContact O-N 2.93Å; D297-K301 WeakPolarHBondContact OD1-CE 3.38Å; D297-K301 IonicContact OD1-NZ 3.07Å; D297-K301 PolarHBondContact OD1-NZ 3.46Å; D297-K301 WeakPolarHBondContact OD2-CE 3.42Å; D297-K301 IonicContact OD2-NZ 2.7Å; D297-K301 PolarHBondContact OD2-NZ 2.82Å; L299-K301 VanDerWaalsContact C-N 3.28Å; L299-K301 PolarHBondContact O-N 2.94Å; K301-V303 PolarHBondContact O-N 3.25Å; K301-I304 PolarHBondContact O-N 3.05Å; K301-T305 PolarHBondContact O-N 3.45Å; K301-T305 PolarHBondContact O-OG1 3.32Å
302R76.7Confident76.6Confident146 Ų14684.7 Ų84.755%0.55142%0.423SS*.Hα-helixtrans-64.7-37.6177.8-86.8-175.9-79.5-172-4.3114K298 L299 R300 T305 T306K298-R302 PolarHBondContact O-NE 3.04Å; L299-R302 PolarHBondContact O-N 2.74Å; L299-R302 VanDerWaalsContact O-N 3.14Å; R300-R302 PolarHBondContact O-N 2.7Å; R302-T305 PolarHBondContact O-OG1 3.03Å; R302-T306 WeakPolarHBondContact O-CG2 3.41Å; R302-T306 PolarHBondContact O-N 3.29Å; R302-T306 VanDerWaalsContact O-N 3.07Å; R302-T306 PolarHBondContact O-OG1 2.91Å; R302-T306 VanDerWaalsContact O-OG1 3.05Å
303V73.3Confident75.5Confident77 Ų7789.5 Ų89.547%0.46744%0.444SS..Hα-helixtrans-66.4-41175.1171.90000110.6L299 R300 K301 T306 N307L299-V303 WeakPolarHBondContact O-CG2 3.43Å; L299-V303 PolarHBondContact O-N 3.04Å; R300-V303 PolarHBondContact O-N 2.88Å; K301-V303 PolarHBondContact O-N 3.25Å; V303-T306 WeakPolarHBondContact CA-OG1 3.48Å; V303-T306 PolarHBondContact O-OG1 3.37Å; V303-N307 PolarHBondContact O-N 2.93Å; V303-N307 VanDerWaalsContact O-N 3.16Å; V303-N307 PolarHBondContact O-ND2 3.49Å; V303-N307 PolarHBondContact O-OD1 3.22Å
304I75.9Confident74.1Confident69 Ų6984.4 Ų84.435%0.35443%0.433SS..Hα-helixtrans-63.1-48.3176.4-67.8164.8000110.8R300 K301 T306 N307 I308R300-I304 HydrophobicContact CG-CD1 3.99Å; R300-I304 VanDerWaalsContact O-CG1 3.29Å; R300-I304 WeakPolarHBondContact O-CG1 3.5Å; R300-I304 PolarHBondContact O-N 3.5Å; K301-I304 PolarHBondContact O-N 3.05Å; I304-T306 PolarHBondContact O-N 2.89Å; I304-N307 PolarHBondContact O-N 2.89Å; I304-I308 HydrophobicContact CG2-CD1 3.89Å; I304-I308 WeakPolarHBondContact O-CG1 3.3Å; I304-I308 PolarHBondContact O-N 3.32Å; I304-I308 VanDerWaalsContact O-N 3.09Å
305T76.4Confident72.7Confident68 Ų6888.4 Ų88.442%0.41745%0.453SS..Hα-helixtrans-61.3-44.6178.556.10000111.9K301 R302 N307 I308 D309K301-T305 PolarHBondContact O-N 3.45Å; K301-T305 PolarHBondContact O-OG1 3.32Å; R302-T305 PolarHBondContact O-OG1 3.03Å; T305-N307 PolarHBondContact O-N 3.26Å; T305-I308 PolarHBondContact O-N 2.95Å; T305-D309 VanDerWaalsContact O-CG 3.24Å; T305-D309 PolarHBondContact O-N 3.5Å
306T73.1Confident71.4Confident80 Ų8091.2 Ų91.249%0.49147%0.469SS..Hα-helixtrans-63.2-26.7178.250.80000113.9R302 V303 I304 A310R302-T306 WeakPolarHBondContact O-CG2 3.41Å; R302-T306 PolarHBondContact O-N 3.29Å; R302-T306 VanDerWaalsContact O-N 3.07Å; R302-T306 PolarHBondContact O-OG1 2.91Å; R302-T306 VanDerWaalsContact O-OG1 3.05Å; V303-T306 WeakPolarHBondContact CA-OG1 3.48Å; V303-T306 PolarHBondContact O-OG1 3.37Å; I304-T306 PolarHBondContact O-N 2.89Å; T306-A310 WeakPolarHBondContact O-CB 3.46Å; T306-A310 PolarHBondContact O-N 3.5Å
307N73.1Confident69.9Low92 Ų9291.7 Ų91.749%0.49247%0.471SS..Hα-helixtrans-77-35.8174.7-67.4-11.2000111.5V303 I304 T305 N311V303-N307 PolarHBondContact O-N 2.93Å; V303-N307 VanDerWaalsContact O-N 3.16Å; V303-N307 PolarHBondContact O-ND2 3.49Å; V303-N307 PolarHBondContact O-OD1 3.22Å; I304-N307 PolarHBondContact O-N 2.89Å; T305-N307 PolarHBondContact O-N 3.26Å; N307-N311 PolarHBondContact O-N 2.88Å; N307-N311 VanDerWaalsContact O-N 3.1Å; N307-N311 PolarHBondContact O-OD1 3.34Å
308I74Confident68.2Low83 Ų8392.5 Ų92.543%0.42648%0.475SS..Hα-helixtrans-67.3-46.4174.8-65.5165.6000110.4I304 T305 A310 N311 N312I304-I308 HydrophobicContact CG2-CD1 3.89Å; I304-I308 WeakPolarHBondContact O-CG1 3.3Å; I304-I308 PolarHBondContact O-N 3.32Å; I304-I308 VanDerWaalsContact O-N 3.09Å; T305-I308 PolarHBondContact O-N 2.95Å; I308-A310 VanDerWaalsContact C-N 3.27Å; I308-A310 PolarHBondContact O-N 2.92Å; I308-N311 PolarHBondContact O-N 3.35Å; I308-N312 PolarHBondContact O-N 3.36Å
309D71.8Confident66.7Low93 Ų9394.2 Ų94.250%0.49749%0.489SS..Hα-helixtrans-59.9-38.8178.2-61.8-31.9000111.6T305 H313T305-D309 VanDerWaalsContact O-CG 3.24Å; T305-D309 PolarHBondContact O-N 3.5Å; D309-H313 PolarHBondContact O-N 3.07Å; D309-H313 VanDerWaalsContact O-N 3.11Å
310A68.8Low65.2Low59 Ų5998.8 Ų98.849%0.48851%0.514SS..Hα-helixtrans-66.5-42.4175.600000112.7T306 I308 S314T306-A310 WeakPolarHBondContact O-CB 3.46Å; T306-A310 PolarHBondContact O-N 3.5Å; I308-A310 VanDerWaalsContact C-N 3.27Å; I308-A310 PolarHBondContact O-N 2.92Å; A310-S314 PolarHBondContact O-N 2.91Å
311N68.6Low63.1Low106 Ų10696.5 Ų96.557%0.56751%0.514SS*.Hα-helixtrans-68.4-41.3178-72.51.2000111.8N307 I308 H313 S314 N315N307-N311 PolarHBondContact O-N 2.88Å; N307-N311 VanDerWaalsContact O-N 3.1Å; N307-N311 PolarHBondContact O-OD1 3.34Å; I308-N311 PolarHBondContact O-N 3.35Å; N311-H313 PolarHBondContact O-N 2.71Å; N311-S314 WeakPolarHBondContact O-CA 3.42Å; N311-S314 VanDerWaalsContact O-CB 3.32Å; N311-S314 WeakPolarHBondContact O-CB 3.24Å; N311-S314 PolarHBondContact O-N 3.1Å; N311-N315 PolarHBondContact O-N 3.46Å
312N64.9Low61.2Low87 Ų8796.8 Ų96.847%0.46553%0.526SS..Hα-helixtrans-65.3-37.7177.9-72-12.9000112.3I308 S314 N315 N316I308-N312 PolarHBondContact O-N 3.36Å; N312-S314 PolarHBondContact O-N 3.31Å; N312-N315 PolarHBondContact O-N 2.7Å; N312-N316 PolarHBondContact O-N 3.18Å
313H58.1Low59.1Low136 Ų13695.7 Ų95.763%0.6354%0.535SS*.Hα-helixtrans-68.6-19.6171.2-103-59.5000113.9D309 N311 N317D309-H313 PolarHBondContact O-N 3.07Å; D309-H313 VanDerWaalsContact O-N 3.11Å; N311-H313 PolarHBondContact O-N 2.71Å; H313-N317 PolarHBondContact O-ND2 3.49Å
314S57.7Low57.2Low60 Ų60102.3 Ų102.342%0.4255%0.554SS.*Hα-helixtrans-78.5-45170.4-156.50000111.1A310 N311 N312 N317 N318A310-S314 PolarHBondContact O-N 2.91Å; N311-S314 WeakPolarHBondContact O-CA 3.42Å; N311-S314 VanDerWaalsContact O-CB 3.32Å; N311-S314 WeakPolarHBondContact O-CB 3.24Å; N311-S314 PolarHBondContact O-N 3.1Å; N312-S314 PolarHBondContact O-N 3.31Å; S314-N317 PolarHBondContact O-N 3.5Å; S314-N318 PolarHBondContact O-N 3.04Å
315N54.6Low55Low92 Ų92106 Ų10649%0.49257%0.574SS.*Hα-helixtrans-68.6-41.5-177.4-72-1000112.9N311 N312 N317 N318 N319N311-N315 PolarHBondContact O-N 3.46Å; N312-N315 PolarHBondContact O-N 2.7Å; N315-N317 PolarHBondContact O-N 3.05Å; N315-N318 PolarHBondContact O-N 3.5Å; N315-N319 PolarHBondContact O-N 2.76Å
316N51.9Low53.3Low113 Ų113108.8 Ų108.860%0.60459%0.591SS**Hα-helixtrans-70-16178.8-80.44.4000114.2N312 N320N312-N316 PolarHBondContact O-N 3.18Å; N316-N320 PolarHBondContact O-ND2 3.31Å
317N50.8Low51.3Low93 Ų93112.9 Ų112.950%0.49761%0.605SS.*Hα-helixtrans-92.1-16.2173.9-75-40.6000112.9H313 S314 N315H313-N317 PolarHBondContact O-ND2 3.49Å; S314-N317 PolarHBondContact O-N 3.5Å; N315-N317 PolarHBondContact O-N 3.05Å
318N48.9Very low49.4Very low72 Ų72117.3 Ų117.339%0.38562%0.62SS.*Hα-helixtrans-94.6-9.3178.9-71.9-3.9000113.5S314 N315S314-N318 PolarHBondContact O-N 3.04Å; N315-N318 PolarHBondContact O-N 3.5Å
319N46.9Very low47.3Very low125 Ų125120.5 Ų120.567%0.66863%0.633SS**SBendtrans-102.59-176-74.71.2000114.6N315N315-N319 PolarHBondContact O-N 2.76Å
320N42.8Very low45.5Very low131 Ų131123.6 Ų123.670%0.70164%0.642SS**SBendtrans-109.83.8-177.8-69.5-24.6000114.5N316N316-N320 PolarHBondContact O-ND2 3.31Å
321D36.7Very low43.7Very low127 Ų127128 Ų12868%0.67965%0.652SS**  trans-115.655.2178-82.5-34.2000111.8
322V40Very low42.1Very low124 Ų124129.2 Ų129.275%0.75266%0.659SS**  trans-138.4102.3162.2-174.90000109.9Y324V322-Y324 HydrophobicContact CG1-CD2 4.39Å
323T32.6Very low40.6Very low123 Ų123133.4 Ų133.476%0.75568%0.675SS**  trans-75.3117.2167.8-51.10000109.6
324Y33.5Very low39.4Very low216 Ų216131.5 Ų131.585%0.84768%0.675SS**  trans-150.6119.2151.5-96.2-71.3000110.1V322V322-Y324 HydrophobicContact CG1-CD2 4.39Å
325D30.8Very low38.1Very low146 Ų146135.8 Ų135.878%0.78169%0.692SS**  trans-70.4121.6166.5-59.7-70.8000109.8
326T39.2Very low36.9Very low126 Ų126136.8 Ų136.877%0.77371%0.706SS**  trans-171.7111.2135.7220000111.5
327E32.4Very low36.2Very low167 Ų167136.7 Ų136.778%0.7871%0.711SS**  53.8155.6116.8-127.6172.1-166.700123
328F31.9Very low35.5Very low184 Ų184140.2 Ų140.281%0.80773%0.73SS**  trans82.3111.6169.7-87.9-90.1000121.1
329Q30.2Very low34.8Very low150 Ų150143.9 Ų143.970%0.70175%0.75SS**  trans-70.1170.4169.8-59-168.2-3200113.7
330K33.6Very low34.3Very low159 Ų159142.3 Ų142.369%0.69175%0.746SS**  trans98.4127.7136.1-89.4162.5179.4160.50119.3
331Q32.4Very low33.7Very low151 Ų151145.7 Ų145.771%0.70675%0.751SS**  trans89.297.9135-74.8167.3-28.800120.4
332N33.6Very low33.4Very low132 Ų132147.1 Ų147.171%0.70675%0.753SS**  72121.5111.6-65.32.1000122.1
333H33.3Very low32.8Very low174 Ų174148.1 Ų148.181%0.80675%0.754SS**  trans80.6156.6137-82.2-55.9000119.8
334P32.8Very low32.7Very low97 Ų97152.9 Ų152.963%0.6376%0.76SS**  trans-134-167.8-138.533.1-8.4000115
335I30.9Very low32.4Very low150 Ų150147.9 Ų147.977%0.76976%0.757SS**  trans102130157.5-57.9163.4000117.6
336S30Very low32.4Very low113 Ų113148.3 Ų148.379%0.7976%0.759SS**  trans84.8149.5156.1-82.30000121.9
337P36.6Very low32.1Very low110 Ų110150.8 Ų150.871%0.71477%0.766SS**  trans-116.5169.7-155.741.5-28.7000114.2
338N35.8Very low32.2Very low167 Ų167148.5 Ų148.589%0.89376%0.763SS**  trans-149.4134.7154.6-85.6-48.1000110.8
339D34Very low32Very low150 Ų150146 Ų14680%0.80276%0.758SS**  trans-50.8-171.4173.1-77.7-45000117
340P37.1Very low32.1Very low91 Ų91149.9 Ų149.959%0.59177%0.768SS**  cis-137.7-173.5-4.811.117.8000116.7
341Y29.8Very low32.1Very low202 Ų202146.9 Ų146.979%0.79276%0.763SS**  trans82144.5156.9-56.4-72.4000119.8
342E31Very low32.1Very low157 Ų157145.5 Ų145.573%0.73477%0.765SS**  cis-172.7116.7-28.8-160.8174.9-162.500109.9
343N28.2Very low32Very low145 Ų145146.5 Ų146.578%0.77577%0.77SS**  trans170.4160.8144.6-112.9-66.9000113.9
344Y28.9Very low32.1Very low224 Ų224146.6 Ų146.688%0.87878%0.775SS**  trans75.344.4177.5-70.9-81.6000118
345S27Very low32.1Very low110 Ų110149.4 Ų149.477%0.76978%0.78SS**  trans-110.175.6151.748.50000110.9
346N31.9Very low32.3Very low156 Ų156147.1 Ų147.183%0.83477%0.774SS**  trans-154.991.9168.5-97.4-34.5000110.9
347I33.6Very low32.5Very low177 Ų177150 Ų15091%0.90878%0.78SS**  trans177.184.4145.1-85.9150000104.6
348V32.8Very low32.5Very low120 Ų120150 Ų15073%0.72778%0.778SS**  trans-111.7151.6172.6166.10000106.5
349N29.1Very low32.4Very low132 Ų132148 Ų14871%0.70677%0.772SS**  trans71.590.4174.6-59.3-22.7000118.6
350Y31.3Very low32.4Very low231 Ų231150.3 Ų150.391%0.90678%0.78SS**  -13588.3121.5-86.9-82.9000107
351T34.1Very low32.2Very low95 Ų95149.6 Ų149.658%0.58378%0.782SS**  55.288.510660.30000113.2
352T32Very low32.3Very low122 Ų122147.4 Ų147.475%0.74878%0.784SS**  75.8141.288550000115.3
353N30.8Very low32.5Very low154 Ų154148.8 Ų148.882%0.82479%0.79SS**  trans76.984.2176.8-53.8-17.2000117.3
354I36.3Very low32.8Very low176 Ų176150.9 Ų150.990%0.90380%0.796SS**  -154.8102.7116.1-55.3-163.8000109.4
355Q32.1Very low33Very low155 Ų155145.5 Ų145.572%0.72479%0.786SS**  trans-134.3148.4152.6-107.2-168.3-21.400105.4
356P36.6Very low33.4Very low102 Ų102147.8 Ų147.866%0.66279%0.79SS**  cis-138.7146.840.537.9-20000116.5
357L32.3Very low33.3Very low174 Ų174149.9 Ų149.991%0.91179%0.792SS**  trans-151.234.4153.8-138.7106.3000112.2
358V36.8Very low33.2Very low109 Ų109149 Ų14966%0.66179%0.787SS**  trans-124.141.3-170.2-1660000111.2
359T34Very low33.1Very low127 Ų127148.3 Ų148.378%0.77979%0.788SS**  trans-131.727.7-175.424.80000114
360M35Very low33.3Very low197 Ų197149.6 Ų149.697%0.9779%0.794SS**SBendtrans-117.120.5167.1-96.3-173.770.500113.8
361A32.4Very low33.3Very low77 Ų77143.9 Ų143.964%0.63679%0.788SS**  trans-114.6111.8167.300000108.9
362N32.9Very low33Very low155 Ų155147.5 Ų147.583%0.82980%0.803SS**SBendtrans-176.411.2155.6-98.5-12.2000116.3
363H33.4Very low33Very low186 Ų186151.3 Ų151.386%0.86181%0.81SS**SBendtrans-127.521.9-172.6-142.6-63.4000117.5
364Q35.5Very low33.1Very low190 Ų190153.3 Ų153.389%0.88881%0.814SS**  trans-134.821.2175.4-78.4-166.1-29.100115.2N366Q364-N366 VanDerWaalsContact C-N 3.27Å; Q364-N366 PolarHBondContact O-N 3.37Å; Q364-N366 VanDerWaalsContact O-N 3.14Å
365T33.9Very low32.7Very low111 Ų111152 Ų15268%0.68181%0.809SS**THydrogen-bonded Turntrans-83.121.6-172.6-90000115.7
366N33.8Very low32.5Very low158 Ų158151.1 Ų151.185%0.84581%0.809SS**THydrogen-bonded Turntrans-120.412.9-175.2-91.4-9.3000115.8Q364Q364-N366 VanDerWaalsContact C-N 3.27Å; Q364-N366 PolarHBondContact O-N 3.37Å; Q364-N366 VanDerWaalsContact O-N 3.14Å
367F31.2Very low32.1Very low200 Ų200156 Ų15688%0.87782%0.816SS**  trans-113.456.5174.8-98.3-87.5000112.8
368I31.1Very low31.8Very low157 Ų157157.2 Ų157.281%0.80581%0.81SS**  trans-123.687.1171.1-56.5178.5000109.2
369S31.1Very low31.3Very low107 Ų107158.1 Ų158.175%0.74882%0.819SS**SBendtrans-164.7-12.8166.859.20000116.5
370L32.2Very low31.2Very low159 Ų159160 Ų16083%0.83283%0.825SS**SBendtrans-125.915.1-160.3-99.3163.3000118.4
371S32.1Very low31.1Very low111 Ų111154.1 Ų154.178%0.77680%0.803SS**  trans-133.818.1-179.760.60000117.2K373S371-K373 PolarHBondContact O-N 2.83Å
372N28Very low31Very low170 Ų170157.5 Ų157.591%0.90981%0.809SS**THydrogen-bonded Turntrans-77.261.4168.3-85.3-19000112.6
373K31.4Very low31Very low203 Ų203157 Ų15788%0.88380%0.8SS**THydrogen-bonded Turntrans-157.116.9169.9-130.2174.5-174176.30118.9S371S371-K373 PolarHBondContact O-N 2.83Å
374Q33.4Very low31Very low195 Ų195156.7 Ų156.791%0.91180%0.799SS**  trans-126.468.8170.9-75.1-169.6-15.700112.8
375N28.2Very low30.7Very low150 Ų150159.5 Ų159.580%0.80280%0.801SS**  trans-79.6139.3163.9-91.9-31.2000111
376N26.7Very low30.6Very low135 Ų135164.5 Ų164.572%0.72281%0.813SS**SBendtrans69.3154.7162.8-62.9-40.7000119.4
377Y27.9Very low30.4Very low206 Ų206161.7 Ų161.781%0.80881%0.807SS**  trans89.630.7161.2-68-77.5000123.5
378Y26.9Very low30.3Very low199 Ų199160.2 Ų160.278%0.7881%0.807SS**  trans-12963.8169.8-89.7-83.8000117.4L382Y378-L382 HydrophobicContact CD1-CD1 4.29Å; Y378-L382 HydrophobicContact CE1-CD1 3.9Å
379C26.8Very low30.2Very low127 Ų127158 Ų15886%0.85881%0.806SS**SBendtrans-149.215.5157.4-155.50000116.5
380N31Very low30.2Very low168 Ų168161.9 Ų161.990%0.89881%0.809SS**SBendtrans-138-4.8-179.9-100.2-30.3000116.1
381S32.3Very low30.1Very low73 Ų73161.8 Ų161.851%0.5180%0.804SS.*SBendtrans-95.4-21.2-164.950.10000116.6K383S381-K383 PolarHBondContact O-N 3.46Å
382L31.7Very low30.1Very low147 Ų147163.5 Ų163.577%0.7780%0.803SS**THydrogen-bonded Turntrans-94.818.2-157.8-99.5166.6000118.1Y378Y378-L382 HydrophobicContact CD1-CD1 4.29Å; Y378-L382 HydrophobicContact CE1-CD1 3.9Å
383K33Very low30.2Very low146 Ų146165.3 Ų165.364%0.63580%0.803SS**THydrogen-bonded Turntrans-138.28.7-180-103.7175.8-173.2165.20117.8K141 S381K141-K383 PolarHBondContact O-NZ 3.07Å; K141-K383 VanDerWaalsContact O-NZ 3.09Å; S381-K383 PolarHBondContact O-N 3.46Å
384Q32.2Very low30.2Very low179 Ų179160.8 Ų160.884%0.83680%0.797SS**SBendtrans-101.5-6.7-180-96.6-179.9-23.100116.2
385R30.7Very low30.2Very low248 Ų248160.9 Ų160.994%0.93679%0.794SS**SBendtrans-101.522.8-172.1-86.3-169.8174.3-169.8-0.7117.4
386K31Very low30.5Very low216 Ų216158.8 Ų158.894%0.93979%0.791SS**SBendtrans-133.834.9175.3-77.1-163.4172.8-171.60115
387S30.3Very low30.6Very low100 Ų100159.6 Ų159.670%0.69980%0.795SS**SBendtrans-147.210.1178.9-169.40000116.3
388L29.2Very low30.8Very low168 Ų168156.6 Ų156.688%0.8879%0.793SS**  trans-132.886.9173.2-86.184.8000110.8
389S29.2Very low31.1Very low112 Ų112153.1 Ų153.178%0.78379%0.787SS**  trans-151.519.3162.670.90000112.7
390F30.1Very low31.1Very low187 Ų187155 Ų15582%0.8278%0.784SS**  trans-115.7124.6177.5-96-86.7000111.2
391H30.8Very low31.2Very low157 Ų157153.7 Ų153.773%0.72778%0.777SS**SBendtrans81.6121.5164.1-83.8-68.9000121.1
392I31.2Very low31.1Very low148 Ų148155.3 Ų155.376%0.75978%0.784SS**  trans88.292.7149-53.8149.7000116.4
393K31.4Very low31.2Very low208 Ų208154.5 Ų154.590%0.90479%0.785SS**  -146.898.1128.7-143.6169.1-171.5177.70110.2
394S29.9Very low31Very low108 Ų108154.1 Ų154.176%0.75579%0.79SS**  trans-76.3127.1167.550.60000109.4
395K34.3Very low31.1Very low197 Ų197152.4 Ų152.486%0.85779%0.787SS**  trans-154.9118.6154.3-119.4-176.6179.2-166.90111.3
396S34.6Very low31.3Very low105 Ų105146 Ų14673%0.73477%0.771SS**  trans45.5110.414753.60000119.7
397N28.5Very low31.4Very low152 Ų152143.9 Ų143.981%0.81376%0.762SS**  trans-40.2142.4151.1-46.3-20000112.6
398L31.2Very low31.3Very low144 Ų144146.3 Ų146.375%0.75477%0.767SS**  -171.5147.6105.2-128.269.7000111.6
399N32.9Very low31.4Very low125 Ų125145.9 Ų145.967%0.66876%0.761SS**  trans62.1104.8158-59.3-3.7000120.6
400Q28.4Very low31.6Very low166 Ų166147.5 Ų147.578%0.77676%0.756SS**  13.3136.2113.8-67.7157.4-65.400116.4
401D31.5Very low31.5Very low141 Ų141145.1 Ų145.175%0.75475%0.752SS**  -156.5163.862-120.4-47.4000118.6
402T30.2Very low31.6Very low108 Ų108146 Ų14666%0.66376%0.759SS**  trans-48.3149.3177.7520000117.1
403T33.9Very low31.4Very low129 Ų129143.6 Ų143.679%0.79176%0.756SS**  179.7152.581.630.20000115.2
404N29.6Very low31.1Very low139 Ų139138 Ų13874%0.74374%0.743SS**  trans-36.5151.6174.1-46.1-27000121.1
405N34.2Very low31.1Very low143 Ų143140.1 Ų140.177%0.76574%0.744SS**  -179.2134.198.9-96.9-11.8000116.6
406D33.9Very low30.6Very low114 Ų114138.7 Ų138.761%0.6174%0.744SS**  trans69.3124.5137.8-82.113.7000127.3
407K33.3Very low30.5Very low170 Ų170138.9 Ų138.974%0.73974%0.743SS**  trans93.697.5134.6-72.8164.6-179.6134.90121.7
408N28.4Very low30.3Very low152 Ų152137.3 Ų137.381%0.81374%0.739SS**  27.9133.6121.9-56.4-5.1000118.4
409E32.9Very low30.2Very low159 Ų159138.3 Ų138.374%0.74375%0.745SS**  -159.8151.463.3-95-161.9114.700117
410Q33.2Very low29.8Very low146 Ų146139.9 Ų139.968%0.68275%0.754SS**  trans62.1103.2145.5-62.1-171.831.900123.1
411N27.9Very low29.8Very low137 Ų137138.2 Ų138.273%0.73376%0.755SS**  50.3111.3119.8-58-15.4000120.7
412I31.9Very low29.3Very low174 Ų174137 Ų13789%0.89276%0.757SS**  -157.9132.784.2-88.9158.9000108.7
413S26.9Very low29.2Very low98 Ų98138.9 Ų138.969%0.68576%0.763SS**  trans-123.5160.8-176.863.20000106.7
414S26.1Very low28.6Very low92 Ų92140.3 Ų140.364%0.64377%0.765SS**  cis168.2-165.82.746.70000105.3
415I29.4Very low28.7Very low151 Ų151142.2 Ų142.277%0.77477%0.772SS**  trans105.5117.3154.3-62.1146.4000118.3
416I24.6Very low28.2Very low167 Ų167142.6 Ų142.686%0.85677%0.774SS**  trans-128.2123.6169.9-72.4163.8000103.8
417P31.1Very low27.9Very low109 Ų109144.9 Ų144.971%0.70878%0.781SS**  -147.4178.2103.837.2-18.8000116.4
418T24.3Very low27.5Very low120 Ų120142.4 Ų142.474%0.73678%0.776SS**  trans-63.4157.7169.949.60000116
419N29.5Very low27.5Very low164 Ų164140.6 Ų140.688%0.87777%0.77SS**  trans-156.3152.5136.1-100-21.6000112.3
420N24.7Very low27.1Very low159 Ų159138.5 Ų138.585%0.8577%0.768SS**  trans-87.5137.2176.7-52.7-43.2000110.6
421V27.4Very low26.8Very low131 Ų131141.2 Ų141.279%0.79477%0.774SS**  trans-146.7132.9150.4177.30000109.3L423V421-L423 HydrophobicContact CG1-CD1 4.37Å; V421-L423 HydrophobicContact CG1-CG 4.46Å
422S22.5Very low27Very low114 Ų114140 Ų14080%0.79777%0.767SS**  trans-89.6137.6166.747.70000110.5
423L26.9Very low26.8Very low149 Ų149137.8 Ų137.878%0.7876%0.757SS**  trans-144.9111.4170.2-99.8160.7000110.7V421V421-L423 HydrophobicContact CG1-CD1 4.37Å; V421-L423 HydrophobicContact CG1-CG 4.46Å
424D22.1Very low27Very low158 Ų158140.8 Ų140.885%0.84576%0.76SS**  trans-64146.7148.6-69.5-60.5000108.8
425M31.6Very low27.2Very low180 Ų180144.3 Ų144.389%0.88777%0.766SS**  trans-145122.4148.4-75.9-148.6-5300110.6
426N23.4Very low27.1Very low150 Ų150144.8 Ų144.880%0.80277%0.765SS**  trans-101.4168.2162.9-122.2-10.6000107.9
427Q27Very low27.4Very low162 Ų162143.2 Ų143.276%0.75776%0.759SS**  trans70.8138168.3-67.7178.6-8900115.9
428D25Very low27.4Very low119 Ų119144.2 Ų144.264%0.63676%0.758SS**  cis-170.2178.215.9-120.1-27.4000113.1
429T28.4Very low27.7Very low113 Ų113143.7 Ų143.769%0.69376%0.759SS**  trans77.495.7152.345.10000123.9
430T25Very low27.5Very low115 Ų115140.7 Ų140.771%0.70675%0.752SS**  54131.2121.357.10000123.6
431Y26.9Very low27.6Very low203 Ų203140.2 Ų140.280%0.79675%0.747SS**  -169.1136.3104-122.5-113.7000115.6
432N31.9Very low27.5Very low111 Ų111139.3 Ų139.359%0.59474%0.742SS**  trans66.499.8151.3-73.56.9000126.9
433N27.8Very low27.6Very low129 Ų129141.2 Ų141.269%0.6974%0.744SS**  79.6150.5102.5-64.9-1.6000125.6
434H31.6Very low27.5Very low161 Ų161139.5 Ų139.575%0.74574%0.739SS**  trans79.1127.3175.2-69.5-87.7000116.9
435E30.4Very low27.9Very low165 Ų165139.9 Ų139.977%0.77174%0.741SS**  cis-154.3170.7-4.5-152.6160.3153.500112.2
436Q28.3Very low27.6Very low161 Ų161138.2 Ų138.275%0.75274%0.736SS**  trans-87153.4-167.2-58.5165-75.500114.2
437N30.6Very low27.6Very low134 Ų134138.8 Ų138.872%0.71774%0.738SS**  -176.3111.4107.4-93.8-38.2000115.9
438N29.9Very low27.6Very low130 Ų130135.7 Ų135.770%0.69573%0.734SS**  70.5137.4129.2-61.9-15.7000125.1
439S30.9Very low27.5Very low109 Ų109138 Ų13876%0.76275%0.745SS**  trans63126.4159.752.40000119.1
440S25.3Very low27.4Very low102 Ų102139.5 Ų139.571%0.71375%0.749SS**  cis139.2158.9-957.40000108.8
441I28Very low27.4Very low149 Ų149141.7 Ų141.776%0.76475%0.753SS**  trans86.583.4169.8-50.4172.4000116
442T23.7Very low27.5Very low112 Ų112139.8 Ų139.869%0.68776%0.757SS**  18124.212854.20000119.6
443N25.8Very low27.2Very low154 Ų154141.9 Ų141.982%0.82476%0.763SS**  -168.9158.394.6-104.2-20.5000114.7
444T24Very low27.4Very low113 Ų113143.5 Ų143.569%0.69377%0.772SS**  trans-60.8156.517148.70000113.2
445N30.7Very low27.1Very low165 Ų165141.3 Ų141.388%0.88277%0.77SS**  trans-153.2140.7130.9-101.8-20.6000113.2
446N24.9Very low27.1Very low146 Ų146140.1 Ų140.178%0.78177%0.774SS**  trans-92.2169.7176-73-49.2000111
447I24.8Very low27Very low162 Ų162139.6 Ų139.683%0.83178%0.776SS**  trans-33.6129.9164.1-59.2151000113.5
448S25.2Very low27.1Very low97 Ų97140.3 Ų140.368%0.67878%0.78SS**  trans-141.5128.3144.957.50000111.1
449L23.4Very low27Very low168 Ų168142.6 Ų142.688%0.8878%0.784SS**  trans-84.5123.3158-77.8147.9000105.9
450D26Very low26.8Very low144 Ų144145.8 Ų145.877%0.7778%0.784SS**  trans-127.1130.2167.8-90.1-50.7000111
451M25.3Very low27.1Very low161 Ų161147.6 Ų147.679%0.79379%0.785SS**  trans-86.6127.5170-56.9-174.1-59.900108.1
452N29.9Very low27.1Very low162 Ų162148.9 Ų148.987%0.86679%0.788SS**  trans-104.4108.6159.6-88.5-13.8000109.5
453Q25.8Very low27.6Very low155 Ų155148 Ų14872%0.72479%0.785SS**  trans-84.8110.1165.1-65.6175.6-75.500108.5T455Q453-T455 PolarHBondContact O-N 2.93Å
454D30.5Very low27.5Very low164 Ų164147.5 Ų147.588%0.87778%0.782SS**  trans-85.291.5160.9-83.6-41.5000109.5T456D454-T456 PolarHBondContact O-N 3.42Å
455T25.8Very low27.9Very low114 Ų114150.2 Ų150.270%0.69979%0.792SS**  trans-77.6111.5168.945.70000110.8Q453Q453-T455 PolarHBondContact O-N 2.93Å
456T31.2Very low27.6Very low140 Ų140147.1 Ų147.186%0.85978%0.784SS**  trans-124.5123.1151.643.40000110.5D454D454-T456 PolarHBondContact O-N 3.42Å
457N26.2Very low27.6Very low151 Ų151145 Ų14581%0.80778%0.78SS**  trans-75.4134.3-178.3-73.4-64.9000111.1
458N31.8Very low27.7Very low148 Ų148144.1 Ų144.179%0.79178%0.775SS**  trans-160.6101.6131.2-103.4-33000114.9
459K27.5Very low27.7Very low178 Ų178148 Ų14877%0.77479%0.787SS**  trans38.9113.9138.3-74174.4178166.70120.6
460K26.3Very low27.9Very low177 Ų177147 Ų14777%0.7778%0.782SS**  105.5129.8114.7-86.6-171171.1-168.70120
461N31.6Very low27.8Very low139 Ų139143.8 Ų143.874%0.74378%0.776SS**  trans84.480.6151.9-58.46.9000118.5
462E29.1Very low27.9Very low176 Ų176143.2 Ų143.282%0.82278%0.776SS**  15.4161.4107.9-85-165.3141.900121.1
463P33.3Very low27.8Very low94 Ų94142.7 Ų142.761%0.6177%0.773SS**  cis-142172.5-17.235.2-15.4000116.2
464N25.2Very low27.8Very low143 Ų143143.1 Ų143.177%0.76578%0.779SS**  trans40.3118.7143.6-60.2-22.2000120.7
465N30.5Very low27.8Very low171 Ų171140.4 Ų140.491%0.91477%0.773SS**  -145.4143.1115.4-115.7-20.1000111.6
466S25Very low27.8Very low100 Ų100142.6 Ų142.670%0.69978%0.779SS**  trans-120.2164.6-175.862.10000111.4
467S24.9Very low27.7Very low102 Ų102143.5 Ų143.571%0.71378%0.779SS**  trans84.8150.1156.5820000119.8
468I26.8Very low27.6Very low142 Ų142144.2 Ų144.273%0.72878%0.779SS**  trans73.282.5165-45.8173.2000115.8N470I468-N470 HydrophobicContact CG2-CB 4.26Å; I468-N470 PolarHBondContact O-N 3.37Å
469I25.9Very low27.6Very low178 Ų178145 Ų14591%0.91378%0.784SS**  trans-71.9109.8149.4-63.4173.3000106.7
470N26.5Very low27.5Very low147 Ų147144.2 Ų144.279%0.78678%0.783SS**  trans-100.1137.7169.1-143.917.4000108.6I468I468-N470 HydrophobicContact CG2-CB 4.26Å; I468-N470 PolarHBondContact O-N 3.37Å
471A24.1Very low27.6Very low77 Ų77142.7 Ų142.764%0.63678%0.783SS**  trans-74.6138.2178.100000110.9
472N27.4Very low27.4Very low149 Ų149141.3 Ų141.380%0.79778%0.78SS**  176.7170.9128.5-87-13.3000111.4
473D28.6Very low27.3Very low152 Ų152138.8 Ų138.881%0.81378%0.776SS**  trans74.977.5164.7-52-24.7000117.8
474I26.1Very low26.9Very low164 Ų164145 Ų14584%0.84179%0.789SS**  trans-84105.2151.9-64.5164.2000107.7L476I474-L476 HydrophobicContact CG2-CD1 4.41Å; I474-L476 HydrophobicContact CG2-CG 4.26Å
475S29.6Very low27.1Very low106 Ų106145.3 Ų145.374%0.74179%0.791SS**  trans-106.6101.9163.956.30000109.5D477S475-D477 PolarHBondContact O-N 2.87Å
476L25.6Very low26.9Very low160 Ų160143.5 Ų143.584%0.83878%0.781SS**  trans-85.6101.4168.8-84.1162000108.8I474I474-L476 HydrophobicContact CG2-CD1 4.41Å; I474-L476 HydrophobicContact CG2-CG 4.26Å
477D29.4Very low27Very low159 Ų159146.7 Ų146.785%0.8579%0.79SS**  trans-103.7121.2159.5-88.3-37.5000109.4S475S475-D477 PolarHBondContact O-N 2.87Å
478M25.2Very low27.1Very low167 Ų167150.1 Ų150.182%0.82380%0.795SS**  trans-81.2143.7161.4-58.7-173.8-5900107.7
479N30.7Very low27.2Very low164 Ų164151.5 Ų151.588%0.87780%0.798SS**  trans-132.2141.5147.2-107.7-27.1000110.7
480Q25.9Very low27.3Very low162 Ų162149 Ų14976%0.75779%0.787SS**  trans-82.2161.8-176.3-63.1159.2-98.200109.9
481D29.1Very low27.4Very low144 Ų144148.3 Ų148.377%0.7778%0.784SS**  trans152139.6136.7-76.1-11.7000109.4
482T27.5Very low27.4Very low111 Ų111149.3 Ų149.368%0.68179%0.786SS**  cis-159.3162.1-4.111.80000109.8
483T27.1Very low27.3Very low122 Ų122147.1 Ų147.175%0.74878%0.782SS**  trans52.294.4152.8520000119.3
484Y23.8Very low27.3Very low224 Ų224147.6 Ų147.688%0.87878%0.783SS**PPolyproline II helixtrans-88.1122.1141.6-125.7-97.6000107.7
485N29.6Very low27.2Very low150 Ų150147.2 Ų147.280%0.80278%0.781SS**PPolyproline II helixtrans-86130.2159.6-92.7-12.3000107.9
486N26.1Very low27.1Very low134 Ų134147.2 Ų147.272%0.71778%0.779SS**PPolyproline II helixtrans-67.1148.4169.5-51.1-60.6000108.9
487D27.9Very low27.1Very low166 Ų166146.5 Ų146.589%0.88878%0.781SS**  -150.4129.3107.9-91.9-33.4000110.2
488E26.2Very low26.8Very low175 Ų175145.9 Ų145.982%0.81878%0.778SS**  trans-73146.8170.4-59.7171.8112.900109
489Q28.7Very low26.9Very low170 Ų170145.8 Ų145.879%0.79478%0.78SS**  -179.1119.7113.2-97.4175.129.800114.6
490N27.3Very low26.6Very low126 Ų126144 Ų14467%0.67478%0.775SS**  61.6132.1125.2-71.1-14.7000123.4
491N28.6Very low26.7Very low133 Ų133141.6 Ų141.671%0.71178%0.776SS**  trans83.699137.5-62.4-8000119.8
492S25.9Very low26.5Very low98 Ų98141.8 Ų141.869%0.68578%0.776SS**  8.8122.1119.4590000118.4
493S25.1Very low26.5Very low103 Ų103143.3 Ų143.372%0.7278%0.78SS**  trans70.9142.4142.1690000120
494I27.4Very low26.5Very low162 Ų162143.9 Ų143.983%0.83178%0.776SS**  trans96.2123.2164.8-52169.3000115.4
495I24.9Very low26.7Very low156 Ų156139.2 Ų139.280%0.877%0.767SS**  trans-74.3173.8-175.9-16.5177.2000111.2
496P27.3Very low26.8Very low106 Ų106139.5 Ų139.569%0.68876%0.763SS**  -108.4175.3-103.639.8-25.2000113.3
497T25.6Very low26.9Very low145 Ų145139 Ų13989%0.8976%0.761SS**  trans-169.5146141.69.80000111.9
498N23.7Very low27.1Very low145 Ų145136.9 Ų136.978%0.77575%0.753SS**  trans-75.3151.4171-57.3-24.3000110.5
499N27.3Very low27.2Very low165 Ų165133.3 Ų133.388%0.88274%0.744SS**  177159.6113.9-86.7-18.5000114.6
500V24.2Very low27.3Very low127 Ų127130.5 Ų130.577%0.7773%0.734SS**  trans-92.8141.7-170.4171.70000113
501S27.5Very low27.4Very low111 Ų111132.7 Ų132.778%0.77674%0.738SS**  trans-178.1117144.243.20000109.1
502L24.2Very low27.4Very low148 Ų148133.9 Ų133.978%0.77574%0.737SS**  67.3104.668.5-81.8169.5000115
503D28Very low27.6Very low143 Ų143134 Ų13477%0.76573%0.729SS**  trans167.3156.4136.7-93.9-15.1000110.1
504M27.5Very low27.9Very low134 Ų134135.6 Ų135.666%0.6673%0.726SS**  cis-167.6144.6-45.6-123.7-141.1-64.500108
505N28.8Very low28.1Very low127 Ų127134.8 Ų134.868%0.67972%0.719SS**  trans66.1151.9164.2-55.5-29.1000116.9
506Q30.3Very low28.2Very low155 Ų155133.2 Ų133.272%0.72471%0.712SS**  cis-156.6139.619.6-150.6152.7-0.300112.6
507D28.8Very low28.3Very low125 Ų125135.5 Ų135.567%0.66872%0.718SS**  trans45.7133.3145.5-60.9-17.4000121.2
508T31.5Very low28.4Very low120 Ų120133.5 Ų133.574%0.73671%0.71SS**  cis-161.2128.536.65.30000114
509T27.9Very low28.4Very low101 Ų101131.3 Ų131.362%0.6271%0.706SS**  trans17.7132.4135.966.40000119.7
510N31.2Very low28.4Very low111 Ų111130.5 Ų130.559%0.59470%0.7SS**  -177.6135.570.5-99.6-64.4000112.8
511K29.7Very low28.5Very low171 Ų171131.7 Ų131.774%0.74370%0.701SS**  59.6141129.3-66.4177.1-175.5143.50119.5
512K29.9Very low28.6Very low158 Ų158131.4 Ų131.469%0.68770%0.696SS**  cis-166.7148.214.2-127.1-172.1171.8-167.50110.2
513N30Very low28.5Very low100 Ų100129.8 Ų129.854%0.53569%0.692SS.*  trans62.6148.1139.1-6816.1000120.2
514E30.5Very low28.4Very low138 Ų138130 Ų13065%0.64569%0.693SS**  cis-161.6150.7-9-118.8156176.700110.8
515Q30.6Very low28.3Very low145 Ų145130.7 Ų130.768%0.67870%0.7SS**  trans60117.8139.6-77173.6-29.700122.9
516N28.8Very low28.2Very low123 Ų123131.4 Ų131.466%0.65871%0.709SS**  108.3122.9113.8-75.6-2.2000120.7
517N29.1Very low27.9Very low153 Ų153128.9 Ų128.982%0.81871%0.708SS**  trans100121.8143-63.3-4.7000119.1
518S26.5Very low27.9Very low103 Ų103131.5 Ų131.572%0.7272%0.721SS**  trans-73.3153.3-173.747.80000115
519S24.4Very low27.6Very low99 Ų99132.4 Ų132.469%0.69272%0.722SS**  trans64.1118.514264.60000119.8
520I27.8Very low27.8Very low149 Ų149136.7 Ų136.776%0.76474%0.737SS**  156.9112.1122.9-77.5155.9000110.7
521I25.1Very low27.6Very low151 Ų151138.4 Ų138.477%0.77475%0.746SS**  trans31.4140.4130.2-43.5172.3000118.9
522P29.6Very low27.6Very low105 Ų105138.3 Ų138.368%0.68275%0.748SS**  cis-138.7-168.4-30.643.4-24.5000114
523T23.4Very low27.5Very low114 Ų114136.3 Ų136.370%0.69975%0.745SS**  trans-1.5123.9157.355.80000120.9
524N25.4Very low27.2Very low147 Ų147137.1 Ų137.179%0.78675%0.754SS**  179.1154.2110.4-92.4-21.8000114.4
525N25.5Very low27.2Very low149 Ų149137.2 Ų137.280%0.79776%0.764SS**  trans-24.8151.7171.3-47.9-24.4000118.9
526V26.6Very low26.9Very low143 Ų143137.8 Ų137.887%0.86777%0.772SS**  -164.1144.8124.7139.20000110.9
527S24.9Very low26.9Very low102 Ų102141.1 Ų141.171%0.71378%0.781SS**  trans-87.7164.3179.843.30000113.6
528L28.1Very low26.9Very low179 Ų179142.6 Ų142.694%0.93778%0.779SS**  trans-135.8117.8163.9-89.2168.2000110.7
529D24.1Very low26.9Very low140 Ų140143.4 Ų143.475%0.74978%0.776SS**  trans-73.7157.3168.5-74.9-54.7000111.7
530M33.4Very low27Very low190 Ų190146.3 Ų146.394%0.93678%0.778SS**  trans-151.7123.3132.3-80.5-143.2-62.300111.3
531N25.7Very low27Very low147 Ų147148 Ų14879%0.78678%0.783SS**  trans-80.8152.3164.4-79.9-51.1000110.4
532Q30.1Very low27.3Very low169 Ų169147.4 Ų147.479%0.7978%0.781SS**  172.5133.3112.1-92.4-174.1-87.200114.5
533D27.7Very low27.2Very low116 Ų116150.1 Ų150.162%0.6279%0.79SS**  trans60103.8134.2-56.2-25.2000123.3
534T25.1Very low27.5Very low118 Ų118149.7 Ų149.772%0.72479%0.792SS**  45.4124.8127.364.40000121
535T28.9Very low27.8Very low139 Ų139147.6 Ų147.685%0.85379%0.789SS**  174.8151.496.333.60000113.3
536N24Very low28.1Very low157 Ų157146.3 Ų146.384%0.8478%0.781SS**  trans-71.5139.5176.2-66.5-54.8000113.4
537K30.6Very low28.5Very low194 Ų194145.9 Ų145.984%0.84377%0.772SS**  trans-173.9119.3132.4-106.3160-174.1173.30115.5
538K28Very low28.9Very low183 Ų183147.2 Ų147.280%0.79677%0.771SS**  trans51.3113.3136.2-73.8-171.5171.2-170.80121.6
539N25.9Very low29.2Very low121 Ų121143.4 Ų143.465%0.64776%0.756SS**  62.2128.3118.1-70.240.6000122.4
540E26.4Very low29.7Very low159 Ų159140.7 Ų140.774%0.74374%0.744SS**  trans57.599130-59.5170.5118.500118.9
541Q29.1Very low29.7Very low184 Ų184135.9 Ų135.986%0.8673%0.726SS**  -177.6166116.8-98.6163.2-8.900111.2
542N31.1Very low30.3Very low139 Ų139134.1 Ų134.174%0.74372%0.716SS**  trans84.360.4170.2-51.2-23.9000118.9
543N26.7Very low30.6Very low163 Ų163130.8 Ų130.887%0.87270%0.704SS**  trans-109.579150.2-98.8-13.6000109.9
544S29.5Very low30.9Very low104 Ų104130.3 Ų130.373%0.72770%0.701SS**  trans-155.254175.867.50000113.2
545S32.9Very low31.6Very low104 Ų104129.2 Ų129.273%0.72769%0.694SS**SBendtrans-153.1-1174.255.80000115.7
546I32.1Very low32Very low121 Ų121130.6 Ų130.662%0.62169%0.688SS**  trans-112.754.3-171.5-42.4179.5000111
547I33.3Very low32.6Very low135 Ų135128.3 Ų128.369%0.69268%0.675SS**SBendtrans-118.2-26.8179.1-68.2178.4000112.7
548D33.3Very low32.9Very low130 Ų130123.9 Ų123.970%0.69566%0.66SS**SBendtrans-94.8-9.9-171.4-66-42.8000115.8
549T35.5Very low33.2Very low99 Ų99116.8 Ų116.861%0.60764%0.64SS**SBendtrans-95.4-26.1-176.2-220000113.5
550T33.5Very low33.8Very low83 Ų83115.2 Ų115.251%0.50964%0.638SS.*Hα-helixtrans-78.7-28.5-170-27.80000112.9
551T34.4Very low34Very low89 Ų89116.4 Ų116.455%0.54664%0.637SS.*Hα-helixtrans-73.4-26.8-179.231.70000113.9
552N38.3Very low34.5Very low110 Ų110112.7 Ų112.759%0.58862%0.622SS**Hα-helixtrans-83.2-18.4-178.7-79-39.7000114.7T555N552-T555 PolarHBondContact O-OG1 3.15Å; N552-T555 VanDerWaalsContact O-OG1 3.08Å
553N37.1Very low34.7Very low98 Ų98109.5 Ų109.552%0.52461%0.608SS.*Hα-helixtrans-87.4-33.3175.1-74-21.9000112.2T555 K556 I557N553-T555 VanDerWaalsContact C-N 3.25Å; N553-T555 PolarHBondContact O-N 3.39Å; N553-K556 PolarHBondContact O-N 3.23Å; N553-I557 VanDerWaalsContact O-CG1 3.3Å; N553-I557 WeakPolarHBondContact O-CG1 3.26Å; N553-I557 PolarHBondContact O-N 3.39Å
554L34Very low35Very low106 Ų106109.4 Ų109.456%0.55560%0.602SS**Hα-helixtrans-63.9-25.4174.2-94.6149.1000113.7N558L554-N558 PolarHBondContact O-ND2 3.22Å
555T38.5Very low35.1Very low96 Ų96112.9 Ų112.959%0.58960%0.6SS**Hα-helixtrans-80.8-33.4174.551.90000112.9N552 N553N552-T555 PolarHBondContact O-OG1 3.15Å; N552-T555 VanDerWaalsContact O-OG1 3.08Å; N553-T555 VanDerWaalsContact C-N 3.25Å; N553-T555 PolarHBondContact O-N 3.39Å
556K37.3Very low35.1Very low168 Ų168114.7 Ų114.773%0.7360%0.595SS**Hα-helixtrans-72.9-40.2173.4-86-179.1173.9176.40113.3N553 N558 G559N553-K556 PolarHBondContact O-N 3.23Å; K556-N558 VanDerWaalsContact C-N 3.34Å; K556-N558 PolarHBondContact O-N 3.01Å; K556-G559 PolarHBondContact O-N 2.95Å
557I37.3Very low35.1Very low109 Ų109118.4 Ų118.456%0.55960%0.601SS**Hα-helixtrans-65.5-37.1-178.5-68.1165.3000111.4N553 G559N553-I557 VanDerWaalsContact O-CG1 3.3Å; N553-I557 WeakPolarHBondContact O-CG1 3.26Å; N553-I557 PolarHBondContact O-N 3.39Å; I557-G559 VanDerWaalsContact C-N 3.27Å; I557-G559 PolarHBondContact O-N 3.03Å
558N36.8Very low35Very low100 Ų100123 Ų12354%0.53561%0.61SS.*Hα-helixtrans-68.5-21.1172.8-79.7-55.7000113.8L554 K556 I562L554-N558 PolarHBondContact O-ND2 3.22Å; K556-N558 VanDerWaalsContact C-N 3.34Å; K556-N558 PolarHBondContact O-N 3.01Å; N558-I562 WeakPolarHBondContact O-CD1 3.46Å; N558-I562 WeakPolarHBondContact O-CG1 3.43Å
559G34.8Very low35Very low35 Ų35125.8 Ų125.836%0.36162%0.616SS.*Hα-helixtrans-71.9-32.7178.900000114.3K556 I557 T563K556-G559 PolarHBondContact O-N 2.95Å; I557-G559 VanDerWaalsContact C-N 3.27Å; I557-G559 PolarHBondContact O-N 3.03Å; G559-T563 PolarHBondContact O-N 3.12Å; G559-T563 PolarHBondContact O-OG1 3.43Å
560S37.6Very low34.8Very low87 Ų87128.5 Ų128.561%0.60862%0.622SS**Hα-helixtrans-73.8-50.2-172.6-161.10000112.4I562 T563S560-I562 VanDerWaalsContact C-N 3.27Å; S560-I562 PolarHBondContact O-N 2.88Å; S560-T563 PolarHBondContact O-N 3.24Å
561Y31.6Very low34.8Very low184 Ų184129.4 Ų129.472%0.72263%0.632SS**Hα-helixtrans-64.4-28.3179.5-76.2-82.4000113.8T563Y561-T563 VanDerWaalsContact C-N 3.33Å
562I38.3Very low34.7Very low107 Ų107132.6 Ų132.655%0.54964%0.644SS.*Hα-helixtrans-74.5-24.5175.5-67.2177.3000111.6N558 S560 K566N558-I562 WeakPolarHBondContact O-CD1 3.46Å; N558-I562 WeakPolarHBondContact O-CG1 3.43Å; S560-I562 VanDerWaalsContact C-N 3.27Å; S560-I562 PolarHBondContact O-N 2.88Å; I562-K566 WeakPolarHBondContact O-CB 3.5Å; I562-K566 PolarHBondContact O-N 3.4Å
563T35.5Very low34.5Very low72 Ų72133.2 Ų133.244%0.44265%0.654SS.*Hα-helixtrans-78.8-28-172.7-61.60000113.5G559 S560 Y561G559-T563 PolarHBondContact O-N 3.12Å; G559-T563 PolarHBondContact O-OG1 3.43Å; S560-T563 PolarHBondContact O-N 3.24Å; Y561-T563 VanDerWaalsContact C-N 3.33Å
564Q33.4Very low34.3Very low161 Ų161136.2 Ų136.275%0.75267%0.671SS**Hα-helixtrans-75.6-33.8-179.8-152.2177.228.400112.9
565Y31.2Very low34.3Very low177 Ų177137 Ų13769%0.69468%0.68SS**Hα-helixtrans-80.5-24176.2-78.4-88.1000113.5R567Y565-R567 VanDerWaalsContact C-N 3.32Å; Y565-R567 PolarHBondContact O-N 3.12Å
566K33Very low34Very low142 Ų142139.9 Ų139.962%0.61769%0.691SS**Hα-helixtrans-72.1-18.6-175.2-160.7167.7-175.9178.50114.5I562I562-K566 WeakPolarHBondContact O-CB 3.5Å; I562-K566 PolarHBondContact O-N 3.4Å
567R31.8Very low33.6Very low199 Ų199138.4 Ų138.475%0.75169%0.691SS**THydrogen-bonded Turntrans-81.8-10.8179.4-62.1-169.1-163.5175.46.4115.2Y565Y565-R567 VanDerWaalsContact C-N 3.32Å; Y565-R567 PolarHBondContact O-N 3.12Å
568R31.5Very low33.3Very low232 Ų232139 Ų13988%0.87571%0.705SS**THydrogen-bonded Turntrans-94.52-177-98.9-178.1178166.31115.7
569F33.3Very low33.3Very low187 Ų187139.9 Ų139.982%0.8271%0.708SS**SBendtrans-126.110.3-175.9-95.3-82.3000115.2S571F569-S571 PolarHBondContact O-N 3.24Å
570Q31.7Very low33.1Very low157 Ų157145.5 Ų145.573%0.73473%0.729SS**  trans-92.948.6-177-66.7-173.7-66.200113.7
571S33.3Very low33Very low102 Ų102147.6 Ų147.671%0.71374%0.739SS**  trans-13738.717972.40000114.3F569F569-S571 PolarHBondContact O-N 3.24Å
572L32.3Very low33.2Very low155 Ų155146.1 Ų146.181%0.81274%0.743SS**SBendtrans-136.2151.5161.4-85.6102.6000111
573P35.3Very low33Very low123 Ų123147.2 Ų147.280%0.79975%0.749SS**  trans-82145.8-157.2-13.631.2000114.7
574N31.6Very low33.3Very low162 Ų162147.3 Ų147.387%0.86675%0.753SS**  trans-74.3122.4173.6-68.2-39.1000112.1
575T34.6Very low33.5Very low121 Ų121145.7 Ų145.774%0.74275%0.75SS**  trans-151.5116.614747.20000109.8
576N31.6Very low34.3Very low157 Ų157142.4 Ų142.484%0.8474%0.744SS**SBendtrans62121.6172.3-44.8-34.4000113.8
577L28.9Very low34.8Very low138 Ų138139 Ų13972%0.72373%0.733SS**  -161.8109.250.6-175.469.4000110.5I579L577-I579 HydrophobicContact CD1-CD1 4.02Å; L577-I579 HydrophobicContact CG-CB 4.34Å; L577-I579 HydrophobicContact CG-CD1 4.45Å; L577-I579 PolarHBondContact O-N 3.32Å
578S32Very low35Very low121 Ų121135.5 Ų135.585%0.84673%0.725SS**  trans-79.986.2168.352.40000110.1
579I36Very low35.5Very low119 Ų119131.3 Ų131.361%0.6172%0.715SS**  trans-159.3134.9170-90.6133.3000106.3L577L577-I579 HydrophobicContact CD1-CD1 4.02Å; L577-I579 HydrophobicContact CG-CB 4.34Å; L577-I579 HydrophobicContact CG-CD1 4.45Å; L577-I579 PolarHBondContact O-N 3.32Å
580L30.7Very low35.9Very low152 Ų152130.7 Ų130.780%0.79671%0.707SS**  trans87.126178-57158.4000119
581T34.5Very low36.1Very low132 Ų132129.8 Ų129.881%0.8170%0.701SS**SBendtrans-9788.7146.951.30000108.7
582D35.6Very low36.2Very low152 Ų152132.5 Ų132.581%0.81370%0.701SS**  trans153.392.8161.3-85-15.5000108.8
583L35.2Very low36.7Very low130 Ų130130.1 Ų130.168%0.68169%0.685SS**  trans-172.9142158.8-101.1148.1000110.8D587L583-D587 HydrophobicContact CD2-CB 4.09Å; L583-D587 VanDerWaalsContact CD2-OD2 3.27Å; L583-D587 WeakPolarHBondContact CD2-OD2 3.38Å
584S41.3Very low36.9Very low75 Ų75131 Ų13152%0.52468%0.676SS.*  trans-72.1160.5-167-1740000114.7D586 D587 Q588S584-D586 PolarHBondContact O-N 2.89Å; S584-D586 VanDerWaalsContact O-N 3.14Å; S584-D587 PolarHBondContact O-N 3.22Å; S584-Q588 PolarHBondContact O-N 2.98Å
585N38.9Very low37.1Very low127 Ų127129.9 Ų129.968%0.67966%0.664SS**Hα-helixtrans-54.8-31.3-179.5-83.6-27.2000114D587 Q588 Q589N585-D587 VanDerWaalsContact C-N 3.32Å; N585-D587 PolarHBondContact O-N 2.89Å; N585-Q588 PolarHBondContact O-N 3.09Å; N585-Q589 PolarHBondContact O-N 3.44Å
586D46.6Very low37.2Very low108 Ų108128 Ų12858%0.57866%0.655SS**Hα-helixtrans-67.3-30.9177.3-75.6-38.4000113S584 R590S584-D586 PolarHBondContact O-N 2.89Å; S584-D586 VanDerWaalsContact O-N 3.14Å; D586-R590 WeakPolarHBondContact O-CB 3.42Å; D586-R590 PolarHBondContact O-N 2.9Å
587D44.1Very low37.4Very low71 Ų71128.5 Ų128.538%0.3865%0.646SS.*Hα-helixtrans-79.6-24.9177.6-77.1-49.2000112.5L583 S584 N585 R590 F591L583-D587 HydrophobicContact CD2-CB 4.09Å; L583-D587 VanDerWaalsContact CD2-OD2 3.27Å; L583-D587 WeakPolarHBondContact CD2-OD2 3.38Å; S584-D587 PolarHBondContact O-N 3.22Å; N585-D587 VanDerWaalsContact C-N 3.32Å; N585-D587 PolarHBondContact O-N 2.89Å; D587-R590 PolarHBondContact O-N 3.05Å; D587-F591 VanDerWaalsContact O-CB 3.26Å; D587-F591 WeakPolarHBondContact O-CB 3.13Å; D587-F591 PolarHBondContact O-N 3.14Å
588Q35.7Very low37.9Very low125 Ų125127.4 Ų127.458%0.58464%0.64SS**Hα-helixtrans-66.2-42.3168.7-68.5-154.9-3.200111.9S584 N585 R590 F591 F592S584-Q588 PolarHBondContact O-N 2.98Å; N585-Q588 PolarHBondContact O-N 3.09Å; Q588-R590 VanDerWaalsContact C-N 3.34Å; Q588-F591 PolarHBondContact O-N 3.07Å; Q588-F592 PolarHBondContact O-N 3.01Å
589Q42Very low38Very low143 Ų143127.6 Ų127.667%0.66864%0.637SS**Hα-helixtrans-63.9-41.7172.9-64.6-163.216.800111.4N585 F591 F592 H593N585-Q589 PolarHBondContact O-N 3.44Å; Q589-F591 VanDerWaalsContact C-N 3.34Å; Q589-F591 PolarHBondContact O-N 3.09Å; Q589-F592 PolarHBondContact O-N 3.28Å; Q589-H593 WeakPolarHBondContact O-CB 3.12Å; Q589-H593 PolarHBondContact O-N 3.49Å
590R40.8Very low38Very low174 Ų174126.7 Ų126.766%0.65764%0.641SS**Hα-helixtrans-64.7-37.1177-150.1174-68.8-141.61.7111.7D586 D587 Q588 K594D586-R590 WeakPolarHBondContact O-CB 3.42Å; D586-R590 PolarHBondContact O-N 2.9Å; D587-R590 PolarHBondContact O-N 3.05Å; Q588-R590 VanDerWaalsContact C-N 3.34Å; R590-K594 VanDerWaalsContact O-CB 3.28Å; R590-K594 WeakPolarHBondContact O-CB 3.48Å; R590-K594 PolarHBondContact O-N 2.9Å
591F36.3Very low37.9Very low139 Ų139128.8 Ų128.861%0.6164%0.64SS**Hα-helixtrans-68.7-46.1175.8-160.9-90000111.9D587 Q588 Q589 H593 K594 F595D587-F591 VanDerWaalsContact O-CB 3.26Å; D587-F591 WeakPolarHBondContact O-CB 3.13Å; D587-F591 PolarHBondContact O-N 3.14Å; Q588-F591 PolarHBondContact O-N 3.07Å; Q589-F591 VanDerWaalsContact C-N 3.34Å; Q589-F591 PolarHBondContact O-N 3.09Å; F591-H593 VanDerWaalsContact C-N 3.33Å; F591-H593 PolarHBondContact O-N 3.45Å; F591-K594 CarbonylContact O-C 3.3Å; F591-K594 PolarHBondContact O-N 3.27Å; F591-K594 VanDerWaalsContact O-N 3.16Å; F591-F595 HydrophobicContact CE1-CD2 4.23Å; F591-F595 WeakPolarHBondContact O-CB 3.38Å; F591-F595 PolarHBondContact O-N 2.94Å
592F36.5Very low37.7Very low159 Ų159134.4 Ų134.470%0.69765%0.646SS**Hα-helixtrans-61.5-39.3173.8-100-86.1000112.4Q588 Q589 K594 F595 S596Q588-F592 PolarHBondContact O-N 3.01Å; Q589-F592 PolarHBondContact O-N 3.28Å; F592-K594 VanDerWaalsContact C-N 3.34Å; F592-K594 PolarHBondContact O-N 2.85Å; F592-F595 PolarHBondContact O-N 2.81Å; F592-S596 VanDerWaalsContact O-CB 3.27Å; F592-S596 WeakPolarHBondContact O-CB 3.49Å; F592-S596 PolarHBondContact O-N 3.48Å
593H41.1Very low37.5Very low104 Ų104132.8 Ų132.848%0.48165%0.646SS.*Hα-helixtrans-68.9-31.3175.7-164.2-119.6000112.5Q589 F591 R597Q589-H593 WeakPolarHBondContact O-CB 3.12Å; Q589-H593 PolarHBondContact O-N 3.49Å; F591-H593 VanDerWaalsContact C-N 3.33Å; F591-H593 PolarHBondContact O-N 3.45Å; H593-R597 WeakPolarHBondContact O-CG 3.24Å; H593-R597 PolarHBondContact O-N 2.96Å; H593-R597 VanDerWaalsContact O-N 3.15Å
594K41.1Very low37.4Very low142 Ų142131.5 Ų131.562%0.61765%0.649SS**Hα-helixtrans-75.9-36.8174.3-153.6169-172.6179.20112.2R590 F591 F592 R597 N598R590-K594 VanDerWaalsContact O-CB 3.28Å; R590-K594 WeakPolarHBondContact O-CB 3.48Å; R590-K594 PolarHBondContact O-N 2.9Å; F591-K594 CarbonylContact O-C 3.3Å; F591-K594 PolarHBondContact O-N 3.27Å; F591-K594 VanDerWaalsContact O-N 3.16Å; F592-K594 VanDerWaalsContact C-N 3.34Å; F592-K594 PolarHBondContact O-N 2.85Å; K594-R597 PolarHBondContact O-N 3.43Å; K594-N598 WeakPolarHBondContact O-CB 3.27Å; K594-N598 PolarHBondContact O-N 3.24Å
595F35Very low37.1Very low139 Ų139136.9 Ų136.961%0.6167%0.665SS**Hα-helixtrans-68.3-38173.8-149.9-94.9000111.7F591 F592F591-F595 HydrophobicContact CE1-CD2 4.23Å; F591-F595 WeakPolarHBondContact O-CB 3.38Å; F591-F595 PolarHBondContact O-N 2.94Å; F592-F595 PolarHBondContact O-N 2.81Å
596S36.5Very low36.9Very low80 Ų80138.8 Ų138.856%0.55967%0.674SS**Hα-helixtrans-59.4-43.7169.7-1800000112.2F592 T599F592-S596 VanDerWaalsContact O-CB 3.27Å; F592-S596 WeakPolarHBondContact O-CB 3.49Å; F592-S596 PolarHBondContact O-N 3.48Å; S596-T599 PolarHBondContact O-OG1 3.28Å
597R37Very low36.3Very low168 Ų168138 Ų13863%0.63468%0.676SS**Hα-helixtrans-75.1-31.3179-76.3-178.8172.5-176-2.8114.6H593 K594 T599 S600H593-R597 WeakPolarHBondContact O-CG 3.24Å; H593-R597 PolarHBondContact O-N 2.96Å; H593-R597 VanDerWaalsContact O-N 3.15Å; K594-R597 PolarHBondContact O-N 3.43Å; R597-T599 VanDerWaalsContact C-N 3.26Å; R597-T599 PolarHBondContact O-N 2.89Å; R597-S600 PolarHBondContact O-N 2.94Å; R597-S600 VanDerWaalsContact O-N 3.14Å
598N38.7Very low35.9Very low115 Ų115141.3 Ų141.362%0.61569%0.694SS**Hα-helixtrans-72.6-10.3-176.4-81.2-3.8000115.1K594 S600K594-N598 WeakPolarHBondContact O-CB 3.27Å; K594-N598 PolarHBondContact O-N 3.24Å; N598-S600 PolarHBondContact O-N 3.4Å
599T34.5Very low36Very low126 Ų126142.6 Ų142.677%0.77370%0.704SS**THydrogen-bonded Turntrans-77.72.3168.856.90000114S596 R597S596-T599 PolarHBondContact O-OG1 3.28Å; R597-T599 VanDerWaalsContact C-N 3.26Å; R597-T599 PolarHBondContact O-N 2.89Å
600S35.4Very low35.6Very low99 Ų99140.1 Ų140.169%0.69270%0.702SS**THydrogen-bonded Turntrans-115.49.5-178-168.60000115.3R597 N598R597-S600 PolarHBondContact O-N 2.94Å; R597-S600 VanDerWaalsContact O-N 3.14Å; N598-S600 PolarHBondContact O-N 3.4Å
601Y29.2Very low35.4Very low197 Ų197141.7 Ų141.777%0.77371%0.708SS**  trans-137.874.1-169.3-131-92.5000114.9
602R30.7Very low35.4Very low250 Ų250141.8 Ų141.894%0.94371%0.708SS**  trans-153.471.4160.3-155.5173.3-173.9177.42113.2
603S31.4Very low35.5Very low117 Ų117141.3 Ų141.382%0.81871%0.708SS**  trans-155.367163.465.20000110.5
604S32.2Very low35.7Very low104 Ų104140.9 Ų140.973%0.72771%0.709SS**  trans-128.687.7167.4-70.30000108.8
605Q34.5Very low35.7Very low188 Ų188138.3 Ų138.388%0.87971%0.707SS**  trans-174.7165.7152-103.7-174.642.200106.9
606I35.1Very low36Very low167 Ų167134.2 Ų134.286%0.85670%0.704SS**  trans74.174.7-167.2-45.4171.6000111.4
607S34.4Very low36.8Very low90 Ų90134.4 Ų134.463%0.62970%0.702SS**  trans-67.5170.3146.8520000110.6
608D36.4Very low37.2Very low141 Ų141130 Ų13075%0.75469%0.693SS**  trans81.5154.3158.5-49.5-51.5000120
609I37.3Very low37.4Very low153 Ų153130.3 Ų130.379%0.78569%0.686SS**  trans78.774.5176.7-47.1177.7000115.2
610S32.7Very low38Very low90 Ų90129 Ų12963%0.62968%0.677SS**  trans-67.2136151.646.20000113
611R37.9Very low38.7Very low207 Ų207132.1 Ų132.178%0.78167%0.674SS**  173.9158.3126.2-95.8160.1-88.4-154.8-1.6112.1
612F36.2Very low39.6Very low142 Ų142127.3 Ų127.362%0.62366%0.661SS**  trans67134.5168.6-113.4-101.7000120.9R619F612-R619 PolarHBondContact O-NH1 2.88Å
613E38Very low40.5Very low149 Ų149118.7 Ų118.770%0.69664%0.643SS**  cis-147.996.1-49.2-118-60.6148.500104.6
614L45.9Very low41.6Very low94 Ų94118.8 Ų118.849%0.49263%0.629SS.*SBendtrans-161.4138.6173.4-110.8124.8000104.6G616 R619L614-G616 WeakPolarHBondContact O-CA 3.43Å; L614-G616 PolarHBondContact O-N 2.92Å; L614-R619 HydrophobicContact CB-CG 3.98Å
615P39.9Very low42.7Very low89 Ų89118 Ų11858%0.57862%0.616SS**  trans-50.3114.6-168.3-28.433.8000111.2T617 T618 R619P615-T617 PolarHBondContact O-N 2.87Å; P615-T618 WeakPolarHBondContact O-CA 3.47Å; P615-T618 WeakPolarHBondContact O-CB 3.13Å; P615-T618 PolarHBondContact O-N 3.38Å; P615-T618 PolarHBondContact O-OG1 3.37Å; P615-R619 PolarHBondContact O-N 3.28Å
616G41.4Very low43.6Very low53 Ų53113.9 Ų113.955%0.54660%0.599SS.*Hα-helixtrans-59.9-31.1-15900000113.9L614 T618 V620L614-G616 WeakPolarHBondContact O-CA 3.43Å; L614-G616 PolarHBondContact O-N 2.92Å; G616-T618 VanDerWaalsContact C-N 3.28Å; G616-T618 PolarHBondContact O-N 3.27Å; G616-V620 PolarHBondContact O-N 3.31Å
617T53.4Low44.4Very low83 Ų83108.1 Ų108.151%0.50958%0.581SS.*Hα-helixtrans-62-35.4173.271.80000112.1P615 R621P615-T617 PolarHBondContact O-N 2.87Å; T617-R621 WeakPolarHBondContact O-CB 3.16Å; T617-R621 VanDerWaalsContact O-CD 3.24Å; T617-R621 WeakPolarHBondContact O-CD 3.42Å; T617-R621 WeakPolarHBondContact O-CG 3.41Å; T617-R621 PolarHBondContact O-N 3.39Å; T617-R621 PolarHBondContact OG1-NH1 2.99Å
618T46.1Very low45.4Very low75 Ų75111 Ų11146%0.4658%0.578SS.*Hα-helixtrans-76.9-41.4-176.5-40.40000112.2P615 G616 R621 L622P615-T618 WeakPolarHBondContact O-CA 3.47Å; P615-T618 WeakPolarHBondContact O-CB 3.13Å; P615-T618 PolarHBondContact O-N 3.38Å; P615-T618 PolarHBondContact O-OG1 3.37Å; G616-T618 VanDerWaalsContact C-N 3.28Å; G616-T618 PolarHBondContact O-N 3.27Å; T618-R621 PolarHBondContact O-N 3.48Å; T618-L622 WeakPolarHBondContact O-CB 3.19Å; T618-L622 PolarHBondContact O-N 2.9Å
619R42.1Very low46.2Very low122 Ų122108.7 Ų108.746%0.4657%0.565SS.*Hα-helixtrans-64.5-48.7175.6-97-176.1171.5176.51.3111.8F612 L614 P615 L622 A623F612-R619 PolarHBondContact O-NH1 2.88Å; L614-R619 HydrophobicContact CB-CG 3.98Å; P615-R619 PolarHBondContact O-N 3.28Å; R619-L622 PolarHBondContact O-N 3.06Å; R619-A623 PolarHBondContact O-N 3.23Å
620V48.1Very low47.1Very low98 Ų98104.5 Ų104.559%0.59455%0.549SS*.Hα-helixtrans-66.1-40.4176.81790000110.8G616 L622 K624G616-V620 PolarHBondContact O-N 3.31Å; V620-L622 VanDerWaalsContact C-N 3.32Å; V620-L622 PolarHBondContact O-N 3.44Å; V620-K624 WeakPolarHBondContact O-CB 3.27Å; V620-K624 PolarHBondContact O-N 3Å
621R49Very low48.2Very low166 Ų166101.8 Ų101.863%0.62654%0.535SS*.Hα-helixtrans-61.7-38.4172.1-78.5167.6-179.2157.7-3.7111.8T617 T618 K624 L625T617-R621 WeakPolarHBondContact O-CB 3.16Å; T617-R621 VanDerWaalsContact O-CD 3.24Å; T617-R621 WeakPolarHBondContact O-CD 3.42Å; T617-R621 WeakPolarHBondContact O-CG 3.41Å; T617-R621 PolarHBondContact O-N 3.39Å; T617-R621 PolarHBondContact OG1-NH1 2.99Å; T618-R621 PolarHBondContact O-N 3.48Å; R621-K624 CarbonylContact O-C 3.15Å; R621-L625 WeakPolarHBondContact O-CA 3.33Å; R621-L625 VanDerWaalsContact O-CB 3.23Å; R621-L625 WeakPolarHBondContact O-CB 3.24Å; R621-L625 PolarHBondContact O-N 3.38Å
622L48.6Very low49.3Very low96 Ų9699.6 Ų99.650%0.50353%0.527SS..Hα-helixtrans-71.3-46.9-179-174.167.3000111.7T618 R619 V620 K624 L625 I626T618-L622 WeakPolarHBondContact O-CB 3.19Å; T618-L622 PolarHBondContact O-N 2.9Å; R619-L622 PolarHBondContact O-N 3.06Å; V620-L622 VanDerWaalsContact C-N 3.32Å; V620-L622 PolarHBondContact O-N 3.44Å; L622-K624 VanDerWaalsContact C-N 3.33Å; L622-K624 PolarHBondContact O-N 2.71Å; L622-L625 CarbonylContact O-C 3.55Å; L622-L625 WeakPolarHBondContact O-CA 3.45Å; L622-L625 WeakPolarHBondContact O-CB 3.48Å; L622-L625 PolarHBondContact O-N 3.05Å; L622-L625 VanDerWaalsContact O-N 3.09Å; L622-I626 HydrophobicContact CD1-CD1 4.21Å; L622-I626 HydrophobicContact CD1-CG1 4.45Å; L622-I626 HydrophobicContact CG-CD1 3.87Å; L622-I626 HydrophobicContact CG-CG1 4.49Å; L622-I626 WeakPolarHBondContact O-CB 3.3Å; L622-I626 VanDerWaalsContact O-CG1 3.28Å; L622-I626 WeakPolarHBondContact O-CG1 3.41Å; L622-I626 PolarHBondContact O-N 3.19Å
623A49.4Very low50.3Low68 Ų6896 Ų9656%0.56251%0.512SS*.Hα-helixtrans-60.4-43.7173.100000111.2R619 L625 I626 G627R619-A623 PolarHBondContact O-N 3.23Å; A623-L625 VanDerWaalsContact C-N 3.31Å; A623-L625 PolarHBondContact O-N 3.46Å; A623-I626 PolarHBondContact O-N 2.9Å; A623-G627 PolarHBondContact O-N 2.88Å
624K56.1Low51.2Low120 Ų12091.4 Ų91.452%0.52249%0.49SS..Hα-helixtrans-67.9-27.9174.2-157.7164.6-166.6163.60112V620 R621 L622 R628V620-K624 WeakPolarHBondContact O-CB 3.27Å; V620-K624 PolarHBondContact O-N 3Å; R621-K624 CarbonylContact O-C 3.15Å; L622-K624 VanDerWaalsContact C-N 3.33Å; L622-K624 PolarHBondContact O-N 2.71Å; K624-R628 WeakPolarHBondContact O-CB 3.46Å; K624-R628 VanDerWaalsContact O-CD 3.25Å; K624-R628 WeakPolarHBondContact O-CD 3.42Å; K624-R628 WeakPolarHBondContact O-CG 3.21Å; K624-R628 PolarHBondContact O-N 3.13Å
625L53.6Low51.8Low87 Ų8790.2 Ų90.246%0.45549%0.486SS..Hα-helixtrans-70.9-50171.7-129.277.2000110.3R621 L622 A623 R628 I629R621-L625 WeakPolarHBondContact O-CA 3.33Å; R621-L625 VanDerWaalsContact O-CB 3.23Å; R621-L625 WeakPolarHBondContact O-CB 3.24Å; R621-L625 PolarHBondContact O-N 3.38Å; L622-L625 CarbonylContact O-C 3.55Å; L622-L625 WeakPolarHBondContact O-CA 3.45Å; L622-L625 WeakPolarHBondContact O-CB 3.48Å; L622-L625 PolarHBondContact O-N 3.05Å; L622-L625 VanDerWaalsContact O-N 3.09Å; A623-L625 VanDerWaalsContact C-N 3.31Å; A623-L625 PolarHBondContact O-N 3.46Å; L625-R628 CarbonylContact O-C 3.56Å; L625-R628 PolarHBondContact O-N 2.97Å; L625-I629 HydrophobicContact CB-CD1 4.26Å; L625-I629 HydrophobicContact CD2-CD1 4.03Å; L625-I629 HydrophobicContact CG-CD1 3.97Å; L625-I629 VanDerWaalsContact O-CB 3.25Å; L625-I629 WeakPolarHBondContact O-CB 3.37Å; L625-I629 WeakPolarHBondContact O-CD1 3.27Å; L625-I629 WeakPolarHBondContact O-CG1 3.31Å; L625-I629 PolarHBondContact O-N 3.5Å
626I55Low52.8Low102 Ų10291.4 Ų91.452%0.52348%0.482SS..Hα-helixtrans-62.9-46-178.2-68.9166000109.6L622 A623 I629 S630L622-I626 HydrophobicContact CD1-CD1 4.21Å; L622-I626 HydrophobicContact CD1-CG1 4.45Å; L622-I626 HydrophobicContact CG-CD1 3.87Å; L622-I626 HydrophobicContact CG-CG1 4.49Å; L622-I626 WeakPolarHBondContact O-CB 3.3Å; L622-I626 VanDerWaalsContact O-CG1 3.28Å; L622-I626 WeakPolarHBondContact O-CG1 3.41Å; L622-I626 PolarHBondContact O-N 3.19Å; A623-I626 PolarHBondContact O-N 2.9Å; I626-I629 PolarHBondContact O-N 3.48Å; I626-S630 VanDerWaalsContact O-CB 3.24Å; I626-S630 WeakPolarHBondContact O-CB 3.2Å; I626-S630 PolarHBondContact O-N 3.24Å
627G51.5Low53.5Low46 Ų4692.8 Ų92.847%0.47448%0.48SS..Hα-helixtrans-59.5-46.517200000112.7A623 I629 G631A623-G627 PolarHBondContact O-N 2.88Å; G627-I629 PolarHBondContact O-N 2.99Å; G627-G631 PolarHBondContact O-N 2.7Å
628R54.6Low53.7Low149 Ų14990.4 Ų90.456%0.56247%0.466SS*.Hα-helixtrans-65.1-36.4175.5-77.9169.2172.8170.3-6.7113K624 L625 R632K624-R628 WeakPolarHBondContact O-CB 3.46Å; K624-R628 VanDerWaalsContact O-CD 3.25Å; K624-R628 WeakPolarHBondContact O-CD 3.42Å; K624-R628 WeakPolarHBondContact O-CG 3.21Å; K624-R628 PolarHBondContact O-N 3.13Å; L625-R628 CarbonylContact O-C 3.56Å; L625-R628 PolarHBondContact O-N 2.97Å; R628-R632 WeakPolarHBondContact O-CB 3.48Å; R628-R632 PolarHBondContact O-N 2.84Å
629I53Low54.3Low93 Ų9393.3 Ų93.348%0.47747%0.472SS..Hα-helixtrans-73.1-45.1-179.7-72.9162.7000109.6L625 I626 G627 R632 E633L625-I629 HydrophobicContact CB-CD1 4.26Å; L625-I629 HydrophobicContact CD2-CD1 4.03Å; L625-I629 HydrophobicContact CG-CD1 3.97Å; L625-I629 VanDerWaalsContact O-CB 3.25Å; L625-I629 WeakPolarHBondContact O-CB 3.37Å; L625-I629 WeakPolarHBondContact O-CD1 3.27Å; L625-I629 WeakPolarHBondContact O-CG1 3.31Å; L625-I629 PolarHBondContact O-N 3.5Å; I626-I629 PolarHBondContact O-N 3.48Å; G627-I629 PolarHBondContact O-N 2.99Å; I629-R632 PolarHBondContact O-N 3.44Å; I629-E633 PolarHBondContact O-N 3.09Å
630S56Low55.3Low66 Ų6689.5 Ų89.546%0.46247%0.467SS..Hα-helixtrans-61.2-51.1176.2-170.40000111.1I626 R632 E633 F634I626-S630 VanDerWaalsContact O-CB 3.24Å; I626-S630 WeakPolarHBondContact O-CB 3.2Å; I626-S630 PolarHBondContact O-N 3.24Å; S630-R632 VanDerWaalsContact C-N 3.33Å; S630-R632 PolarHBondContact O-N 3.33Å; S630-E633 PolarHBondContact O-N 2.92Å; S630-F634 WeakPolarHBondContact O-CB 3.45Å; S630-F634 PolarHBondContact O-N 2.83Å
631G56.9Low55.9Low32 Ų3287.1 Ų87.133%0.3345%0.454SS..Hα-helixtrans-61-38.3174.500000113.2G627 F634 V635G627-G631 PolarHBondContact O-N 2.7Å; G631-F634 PolarHBondContact O-N 2.92Å; G631-V635 WeakPolarHBondContact O-CB 3.23Å; G631-V635 VanDerWaalsContact O-CG2 3.26Å; G631-V635 WeakPolarHBondContact O-CG2 3.24Å; G631-V635 PolarHBondContact O-N 3.44Å
632R59.8Low56.3Low161 Ų16183.5 Ų83.561%0.60845%0.447SS*.Hα-helixtrans-74.9-34.2-179.6-171.4-176.9-68.4-174.8-5.3113.1R628 I629 S630 K636R628-R632 WeakPolarHBondContact O-CB 3.48Å; R628-R632 PolarHBondContact O-N 2.84Å; I629-R632 PolarHBondContact O-N 3.44Å; S630-R632 VanDerWaalsContact C-N 3.33Å; S630-R632 PolarHBondContact O-N 3.33Å; R632-K636 WeakPolarHBondContact O-CB 3.08Å; R632-K636 WeakPolarHBondContact O-CD 3.37Å; R632-K636 WeakPolarHBondContact O-CG 3.29Å; R632-K636 PolarHBondContact O-N 3.12Å; R632-K636 VanDerWaalsContact O-N 3.14Å
633E58.1Low56.7Low67 Ų6782.7 Ų82.731%0.31345%0.446SS..Hα-helixtrans-72.8-36170.2-69.9-63.6101.900111.3I629 S630 K636 T637 K691I629-E633 PolarHBondContact O-N 3.09Å; S630-E633 PolarHBondContact O-N 2.92Å; E633-K636 PolarHBondContact O-N 2.8Å; E633-K636 WeakPolarHBondContact OE1-CD 3.43Å; E633-K636 IonicContact OE1-NZ 3.14Å; E633-K636 PolarHBondContact OE1-NZ 3.01Å; E633-T637 PolarHBondContact O-N 3.06Å; E633-T637 PolarHBondContact O-OG1 3.41Å; E633-K691 IonicContact OE2-NZ 2.58Å; E633-K691 PolarHBondContact OE2-NZ 2.92Å
634F56.1Low57.3Low53 Ų5380.5 Ų80.523%0.23242%0.424CS..Hα-helixtrans-62.3-52.8173.3172.8-125.8000112.1N296 L299 S630 G631 K636 T637 V638N296-F634 WeakPolarHBondContact OD1-CZ 3.4Å; L299-F634 HydrophobicContact CD1-CD1 4.07Å; L299-F634 HydrophobicContact CD1-CD2 3.09Å; L299-F634 HydrophobicContact CD1-CE1 4.02Å; L299-F634 HydrophobicContact CD1-CE2 3Å; L299-F634 HydrophobicContact CD1-CG 3.63Å; L299-F634 HydrophobicContact CD1-CZ 3.5Å; L299-F634 VanDerWaalsContact CD1-CZ 3.5Å; L299-F634 HydrophobicContact CG-CD2 4.45Å; S630-F634 WeakPolarHBondContact O-CB 3.45Å; S630-F634 PolarHBondContact O-N 2.83Å; G631-F634 PolarHBondContact O-N 2.92Å; F634-K636 VanDerWaalsContact C-N 3.25Å; F634-K636 PolarHBondContact O-N 3.14Å; F634-T637 WeakPolarHBondContact O-CA 3.47Å; F634-T637 WeakPolarHBondContact O-CB 3.4Å; F634-T637 PolarHBondContact O-N 2.94Å; F634-V638 HydrophobicContact CD2-CG2 3.7Å; F634-V638 HydrophobicContact CE1-CG2 4.11Å; F634-V638 HydrophobicContact CE2-CB 4.49Å; F634-V638 HydrophobicContact CE2-CG2 3.08Å; F634-V638 HydrophobicContact CG-CG2 4.44Å; F634-V638 HydrophobicContact CZ-CG2 3.34Å; F634-V638 PolarHBondContact O-N 2.88Å
635V59.2Low57.4Low69 Ų6977 Ų7742%0.41841%0.411SS..Hα-helixtrans-60.8-34177.91700000111.5G631 K639G631-V635 WeakPolarHBondContact O-CB 3.23Å; G631-V635 VanDerWaalsContact O-CG2 3.26Å; G631-V635 WeakPolarHBondContact O-CG2 3.24Å; G631-V635 PolarHBondContact O-N 3.44Å; V635-K639 HydrophobicContact CG1-CD 3.95Å; V635-K639 HydrophobicContact CG1-CG 4.19Å; V635-K639 WeakPolarHBondContact O-CB 3.43Å; V635-K639 VanDerWaalsContact O-CG 3.24Å; V635-K639 WeakPolarHBondContact O-CG 3.29Å; V635-K639 PolarHBondContact O-N 3.13Å
636K61.5Low57.3Low113 Ų11375.2 Ų75.249%0.49140%0.404SS..Hα-helixtrans-63-41170.4-77168.3-169.4173.20112.5R632 E633 F634 A640R632-K636 WeakPolarHBondContact O-CB 3.08Å; R632-K636 WeakPolarHBondContact O-CD 3.37Å; R632-K636 WeakPolarHBondContact O-CG 3.29Å; R632-K636 PolarHBondContact O-N 3.12Å; R632-K636 VanDerWaalsContact O-N 3.14Å; E633-K636 PolarHBondContact O-N 2.8Å; E633-K636 WeakPolarHBondContact OE1-CD 3.43Å; E633-K636 IonicContact OE1-NZ 3.14Å; E633-K636 PolarHBondContact OE1-NZ 3.01Å; F634-K636 VanDerWaalsContact C-N 3.25Å; F634-K636 PolarHBondContact O-N 3.14Å; K636-A640 VanDerWaalsContact O-CB 3.26Å; K636-A640 WeakPolarHBondContact O-CB 3.06Å; K636-A640 PolarHBondContact O-N 3.21Å
637T56.1Low57.5Low82 Ų8271.8 Ų71.850%0.50339%0.387SS..Hα-helixtrans-70-46.4-179.4-54.60000110.6E633 F634 A640 S641E633-T637 PolarHBondContact O-N 3.06Å; E633-T637 PolarHBondContact O-OG1 3.41Å; F634-T637 WeakPolarHBondContact O-CA 3.47Å; F634-T637 WeakPolarHBondContact O-CB 3.4Å; F634-T637 PolarHBondContact O-N 2.94Å; T637-A640 PolarHBondContact O-N 3.47Å; T637-S641 PolarHBondContact O-N 3.39Å; T637-S641 PolarHBondContact O-OG 2.92Å
638V56.9Low58.1Low33 Ų3370.4 Ų70.420%0.237%0.368CS..Hα-helixtrans-62-47.6174.8173.40000111.1L292 F634 A640 S641 L642L292-V638 HydrophobicContact CD2-CG1 4.12Å; L292-V638 HydrophobicContact CD2-CG2 4.37Å; F634-V638 HydrophobicContact CD2-CG2 3.7Å; F634-V638 HydrophobicContact CE1-CG2 4.11Å; F634-V638 HydrophobicContact CE2-CB 4.49Å; F634-V638 HydrophobicContact CE2-CG2 3.08Å; F634-V638 HydrophobicContact CG-CG2 4.44Å; F634-V638 HydrophobicContact CZ-CG2 3.34Å; F634-V638 PolarHBondContact O-N 2.88Å; V638-A640 VanDerWaalsContact C-N 3.33Å; V638-A640 PolarHBondContact O-N 2.83Å; V638-S641 PolarHBondContact O-N 2.99Å; V638-L642 WeakPolarHBondContact O-CB 3.33Å; V638-L642 PolarHBondContact O-N 3.26Å
639K59.4Low58.5Low137 Ų13763.3 Ų63.360%0.59634%0.342SS*.Hα-helixtrans-59.9-42.9175.9-75.2-175.4176.1-166.30111.4V635 S641 L642 T643V635-K639 HydrophobicContact CG1-CD 3.95Å; V635-K639 HydrophobicContact CG1-CG 4.19Å; V635-K639 WeakPolarHBondContact O-CB 3.43Å; V635-K639 VanDerWaalsContact O-CG 3.24Å; V635-K639 WeakPolarHBondContact O-CG 3.29Å; V635-K639 PolarHBondContact O-N 3.13Å; K639-S641 PolarHBondContact O-N 3.42Å; K639-L642 PolarHBondContact O-N 3.24Å; K639-T643 WeakPolarHBondContact O-CB 3.38Å; K639-T643 PolarHBondContact O-N 2.91Å; K639-T643 PolarHBondContact O-OG1 2.73Å
640A61.7Low59Low42 Ų4262.5 Ų62.535%0.34734%0.338SS..Hα-helixtrans-59.8-48.3176.100000112.1K636 T637 V638 T643 L644K636-A640 VanDerWaalsContact O-CB 3.26Å; K636-A640 WeakPolarHBondContact O-CB 3.06Å; K636-A640 PolarHBondContact O-N 3.21Å; T637-A640 PolarHBondContact O-N 3.47Å; V638-A640 VanDerWaalsContact C-N 3.33Å; V638-A640 PolarHBondContact O-N 2.83Å; A640-T643 PolarHBondContact O-N 2.97Å; A640-L644 VanDerWaalsContact O-CB 3.27Å; A640-L644 WeakPolarHBondContact O-CB 2.96Å; A640-L644 WeakPolarHBondContact O-CD1 3.25Å; A640-L644 WeakPolarHBondContact O-CG 3.3Å; A640-L644 PolarHBondContact O-N 3.21Å
641S61.9Low59.5Low47 Ų4759.5 Ų59.533%0.32932%0.317SS..Hα-helixtrans-66-40.1177.2-64.40000113.4T637 V638 K639 T643 L644 M645T637-S641 PolarHBondContact O-N 3.39Å; T637-S641 PolarHBondContact O-OG 2.92Å; V638-S641 PolarHBondContact O-N 2.99Å; K639-S641 PolarHBondContact O-N 3.42Å; S641-T643 VanDerWaalsContact C-N 3.35Å; S641-L644 PolarHBondContact O-N 3.25Å; S641-M645 PolarHBondContact O-N 3.42Å
642L56.8Low59.8Low90 Ų9061 Ų6147%0.47132%0.315SS..Hα-helixtrans-72.7-25.9178.9-166.377.7000112.3L288 L292 V638 K639 P646L288-L642 HydrophobicContact CD2-CD1 4.31Å; L292-L642 HydrophobicContact CD1-CD1 4.36Å; V638-L642 WeakPolarHBondContact O-CB 3.33Å; V638-L642 PolarHBondContact O-N 3.26Å; K639-L642 PolarHBondContact O-N 3.24Å; L642-P646 WeakPolarHBondContact O-CD 3.32Å; L642-P646 WeakPolarHBondContact O-CG 3.48Å
643T57.6Low59.9Low79 Ų7956 Ų5649%0.48530%0.3SS..Hα-helixtrans-83.2-33.6171.7-65.10000111.5K639 A640 S641 L647K639-T643 WeakPolarHBondContact O-CB 3.38Å; K639-T643 PolarHBondContact O-N 2.91Å; K639-T643 PolarHBondContact O-OG1 2.73Å; A640-T643 PolarHBondContact O-N 2.97Å; S641-T643 VanDerWaalsContact C-N 3.35Å; T643-L647 HydrophobicContact CG2-CD1 3.93Å; T643-L647 WeakPolarHBondContact O-CB 3.13Å; T643-L647 PolarHBondContact O-N 3.04Å
644L61.2Low60Low22 Ų2254.1 Ų54.112%0.11529%0.292CS..Hα-helixtrans-65.6-43.5179.3-92.1162000113.6A640 S641 L647 L648 L685 Y686A640-L644 VanDerWaalsContact O-CB 3.27Å; A640-L644 WeakPolarHBondContact O-CB 2.96Å; A640-L644 WeakPolarHBondContact O-CD1 3.25Å; A640-L644 WeakPolarHBondContact O-CG 3.3Å; A640-L644 PolarHBondContact O-N 3.21Å; S641-L644 PolarHBondContact O-N 3.25Å; L644-L647 PolarHBondContact O-N 2.78Å; L644-L648 WeakPolarHBondContact O-CG 3Å; L644-L685 HydrophobicContact CD2-CB 4.12Å; L644-L685 HydrophobicContact CD2-CD1 3.56Å; L644-L685 HydrophobicContact CD2-CG 4.38Å; L644-L685 HydrophobicContact CG-CD1 3.97Å; L644-Y686 HydrophobicContact CD1-CE1 3.69Å; L644-Y686 HydrophobicContact CD2-CE1 3.97Å; L644-Y686 HydrophobicContact CD2-CE2 4.36Å
645M58.4Low59.9Low47 Ų4759.4 Ų59.423%0.23232%0.315CS..Hα-helixtrans-67.7-42.7-175.8-162.5-172.274.600113.7V285 L288 S641 L648V285-M645 HydrophobicContact CB-CE 4.15Å; V285-M645 HydrophobicContact CG1-CE 4.28Å; V285-M645 HydrophobicContact CG2-CE 3.74Å; V285-M645 HydrophobicContact CG2-SD 4.47Å; L288-M645 HydrophobicContact CB-CE 4.21Å; L288-M645 HydrophobicContact CB-SD 3.45Å; L288-M645 WeakPolarHBondContact CB-SD 3.23Å; L288-M645 HydrophobicContact CD2-CB 4.14Å; L288-M645 HydrophobicContact CD2-CE 3.42Å; L288-M645 VanDerWaalsContact CD2-CE 3.42Å; L288-M645 HydrophobicContact CD2-CG 4.49Å; L288-M645 HydrophobicContact CD2-SD 3.53Å; L288-M645 VanDerWaalsContact CD2-SD 3.53Å; L288-M645 HydrophobicContact CG-CE 4.42Å; L288-M645 HydrophobicContact CG-SD 4.03Å; S641-M645 PolarHBondContact O-N 3.42Å; M645-L648 PolarHBondContact O-N 3.27Å
646P52Low59.8Low49 Ų4959.8 Ų59.832%0.31831%0.314SS..Hα-helixtrans-55.6-48.6169.7-32.840.9000114.3L642 L648 G649 I650L642-P646 WeakPolarHBondContact O-CD 3.32Å; L642-P646 WeakPolarHBondContact O-CG 3.48Å; P646-L648 PolarHBondContact O-N 3Å; P646-G649 PolarHBondContact O-N 2.95Å; P646-I650 HydrophobicContact CB-CD1 3.59Å; P646-I650 HydrophobicContact CB-CG1 4.23Å; P646-I650 HydrophobicContact CG-CD1 4.42Å; P646-I650 VanDerWaalsContact O-CB 3.31Å; P646-I650 WeakPolarHBondContact O-CB 3.42Å; P646-I650 WeakPolarHBondContact O-CG1 3.24Å; P646-I650 PolarHBondContact O-N 3.28Å
647L59.7Low59.7Low30 Ų3057.8 Ų57.816%0.15731%0.311CS..Hα-helixtrans-61-15.3-175.2-112.1156.6000114.4T643 L644 W681T643-L647 HydrophobicContact CG2-CD1 3.93Å; T643-L647 WeakPolarHBondContact O-CB 3.13Å; T643-L647 PolarHBondContact O-N 3.04Å; L644-L647 PolarHBondContact O-N 2.78Å; L647-W681 HydrophobicContact CD1-CB 4.44Å; L647-W681 HydrophobicContact CD2-CB 3.89Å; L647-W681 HydrophobicContact CD2-CG 3.8Å
648L62.8Low59.8Low17 Ų1759.1 Ų59.19%0.08932%0.321CS..Hα-helixtrans-100.7-23.1-171.2-84.2-175.7000113.6M210 L644 M645 P646 Q678 V682M210-L648 HydrophobicContact CE-CB 4.39Å; M210-L648 WeakPolarHBondContact CE-O 3.46Å; M210-L648 HydrophobicContact CG-CD1 4.14Å; M210-L648 HydrophobicContact SD-CB 3.46Å; M210-L648 WeakPolarHBondContact SD-CB 3.5Å; M210-L648 HydrophobicContact SD-CD1 3.89Å; M210-L648 HydrophobicContact SD-CD2 3.62Å; M210-L648 HydrophobicContact SD-CG 3.81Å; L644-L648 WeakPolarHBondContact O-CG 3Å; M645-L648 PolarHBondContact O-N 3.27Å; P646-L648 PolarHBondContact O-N 3Å; L648-Q678 PolarHBondContact O-NE2 2.02Å; L648-V682 HydrophobicContact CD2-CG2 3.44Å; L648-V682 VanDerWaalsContact CD2-CG2 3.44Å
649G63.4Low60.1Low1 Ų161.1 Ų61.11%0.0133%0.326CS..Hα-helixtrans-129.4-29.1-179.400000115.8P646 P651 E652 I653P646-G649 PolarHBondContact O-N 2.95Å; G649-P651 VanDerWaalsContact C-CD 3.45Å; G649-E652 PolarHBondContact O-N 3.05Å; G649-E652 VanDerWaalsContact O-N 3.15Å; G649-I653 WeakPolarHBondContact O-CG1 3.31Å; G649-I653 PolarHBondContact O-N 3.36Å
650I64.1Low60.5Low75 Ų7559.6 Ų59.639%0.38532%0.321SS..Hα-helixtrans-57.3-40.6-172.9-68.9-172.6000114.8P646 E652 I653 I654P646-I650 HydrophobicContact CB-CD1 3.59Å; P646-I650 HydrophobicContact CB-CG1 4.23Å; P646-I650 HydrophobicContact CG-CD1 4.42Å; P646-I650 VanDerWaalsContact O-CB 3.31Å; P646-I650 WeakPolarHBondContact O-CB 3.42Å; P646-I650 WeakPolarHBondContact O-CG1 3.24Å; P646-I650 PolarHBondContact O-N 3.28Å; I650-E652 PolarHBondContact O-N 3.4Å; I650-I653 HydrophobicContact CG1-CD1 4.05Å; I650-I653 PolarHBondContact O-N 3.45Å; I650-I654 HydrophobicContact CG2-CD1 3.83Å; I650-I654 HydrophobicContact CG2-CG1 4.1Å; I650-I654 WeakPolarHBondContact O-CG1 3.32Å; I650-I654 PolarHBondContact O-N 3.48Å
651P65.1Low60.7Low4 Ų462.1 Ų62.13%0.02633%0.334CS..Hα-helixtrans-58.2-34.7179.8-24.736000112.9G649 N671 L674 T675G649-P651 VanDerWaalsContact C-CD 3.45Å; P651-N671 WeakPolarHBondContact CB-OD1 3.28Å; P651-N671 PolarHBondContact O-OD1 2.98Å; P651-L674 HydrophobicContact CB-CB 4.12Å; P651-L674 HydrophobicContact CG-CB 3.69Å; P651-L674 HydrophobicContact CG-CD1 4.37Å; P651-T675 WeakPolarHBondContact CB-OG1 3.29Å
652E63.7Low61.1Low63 Ų6369.3 Ų69.329%0.29436%0.355SS..Hα-helixtrans-79.4-30.5176.9-54.2-70.4167.500112.3K161 F207 G649 I650 I654K161-E652 IonicContact NZ-OE1 3.85Å; K161-E652 PolarHBondContact NZ-OE1 3.36Å; F207-E652 HydrophobicContact CE2-CG 4.32Å; F207-E652 HydrophobicContact CZ-CB 3.8Å; F207-E652 HydrophobicContact CZ-CG 3.87Å; G649-E652 PolarHBondContact O-N 3.05Å; G649-E652 VanDerWaalsContact O-N 3.15Å; I650-E652 PolarHBondContact O-N 3.4Å; E652-I654 VanDerWaalsContact C-N 3.34Å
653I61.8Low61.9Low57 Ų5769.8 Ų69.829%0.29236%0.357SS..Hα-helixtrans-66.6-37.3173.1-55.9165.9000111.2L281 G649 I650 F655 I656L281-I653 HydrophobicContact CD1-CD1 4.47Å; L281-I653 HydrophobicContact CD2-CD1 3.35Å; L281-I653 HydrophobicContact CD2-CG1 3.39Å; L281-I653 HydrophobicContact CG-CD1 4.43Å; G649-I653 WeakPolarHBondContact O-CG1 3.31Å; G649-I653 PolarHBondContact O-N 3.36Å; I650-I653 HydrophobicContact CG1-CD1 4.05Å; I650-I653 PolarHBondContact O-N 3.45Å; I653-F655 PolarHBondContact O-N 3.3Å; I653-F655 VanDerWaalsContact O-N 3.11Å; I653-I656 WeakPolarHBondContact O-CB 3.26Å; I653-I656 PolarHBondContact O-N 2.97Å
654I60.6Low62.6Low27 Ų2771.8 Ų71.814%0.13836%0.359CS..Hα-helixtrans-52.7-36.9-176.6-80.2168.8000110.6I650 E652 I656 T657 Y659 N671I650-I654 HydrophobicContact CG2-CD1 3.83Å; I650-I654 HydrophobicContact CG2-CG1 4.1Å; I650-I654 WeakPolarHBondContact O-CG1 3.32Å; I650-I654 PolarHBondContact O-N 3.48Å; E652-I654 VanDerWaalsContact C-N 3.34Å; I654-I656 PolarHBondContact O-N 2.93Å; I654-I656 VanDerWaalsContact O-N 3.09Å; I654-T657 PolarHBondContact O-N 3.28Å; I654-Y659 WeakPolarHBondContact CA-OH 3.4Å; I654-Y659 HydrophobicContact CG2-CE2 3.99Å; I654-Y659 WeakPolarHBondContact CG2-OH 3.26Å; I654-Y659 WeakPolarHBondContact O-CE2 3.48Å; I654-Y659 PolarHBondContact O-OH 3.24Å; I654-N671 HydrophobicContact CG2-CB 4.35Å
655F53.5Low63.3Low163 Ų16373.3 Ų73.372%0.71537%0.37SS*.THydrogen-bonded Turntrans-61.1-20.5177.8-169.2-104.9000115.3I653I653-F655 PolarHBondContact O-N 3.3Å; I653-F655 VanDerWaalsContact O-N 3.11Å
656I58.6Low64.4Low78 Ų7872.8 Ų72.840%0.438%0.377SS..THydrogen-bonded Turntrans-89.3-16.1-173.2-59.4167.4000112T274 L278 I653 I654T274-I656 HydrophobicContact CG2-CD1 3.7Å; T274-I656 HydrophobicContact CG2-CG1 4.28Å; L278-I656 HydrophobicContact CD1-CD1 4.08Å; L278-I656 HydrophobicContact CD2-CD1 3.71Å; L278-I656 HydrophobicContact CG-CD1 4.06Å; I653-I656 WeakPolarHBondContact O-CB 3.26Å; I653-I656 PolarHBondContact O-N 2.97Å; I654-I656 PolarHBondContact O-N 2.93Å; I654-I656 VanDerWaalsContact O-N 3.09Å
657T58.6Low65.7Low70 Ų7073.4 Ų73.443%0.42938%0.375SS..SBendtrans-87123.4-178.9-52.30000110.1I654 Y659I654-T657 PolarHBondContact O-N 3.28Å; T657-Y659 HydrophobicContact CG2-CD1 4.26Å; T657-Y659 HydrophobicContact CG2-CE1 3.78Å; T657-Y659 VanDerWaalsContact O-CD2 3.26Å; T657-Y659 WeakPolarHBondContact O-CD2 3.5Å; T657-Y659 WeakPolarHBondContact O-CE2 3.46Å; T657-Y659 PolarHBondContact O-N 2.96Å; T657-Y659 VanDerWaalsContact O-N 3.12Å
658P58.8Low66.5Low111 Ų11174.7 Ų74.772%0.72138%0.382SS*.  trans-68.3111.6173.327.4-32.8000109.7
659Y63.6Low67.6Low75 Ų7576.9 Ų76.929%0.29439%0.393SS..  trans-92149.2179.2-61.8-63000112.6I654 T657 F667I654-Y659 WeakPolarHBondContact CA-OH 3.4Å; I654-Y659 HydrophobicContact CG2-CE2 3.99Å; I654-Y659 WeakPolarHBondContact CG2-OH 3.26Å; I654-Y659 WeakPolarHBondContact O-CE2 3.48Å; I654-Y659 PolarHBondContact O-OH 3.24Å; T657-Y659 HydrophobicContact CG2-CD1 4.26Å; T657-Y659 HydrophobicContact CG2-CE1 3.78Å; T657-Y659 VanDerWaalsContact O-CD2 3.26Å; T657-Y659 WeakPolarHBondContact O-CD2 3.5Å; T657-Y659 WeakPolarHBondContact O-CE2 3.46Å; T657-Y659 PolarHBondContact O-N 2.96Å; T657-Y659 VanDerWaalsContact O-N 3.12Å; Y659-F667 AromaticContact CD1-CD2 3.69Å; Y659-F667 HydrophobicContact CD1-CD2 3.69Å; Y659-F667 AromaticContact CD1-CE2 3.46Å; Y659-F667 HydrophobicContact CD1-CE2 3.46Å; Y659-F667 VanDerWaalsContact CD1-CE2 3.46Å; Y659-F667 HydrophobicContact CD1-CG 4.44Å; Y659-F667 HydrophobicContact CD1-CZ 4.07Å; Y659-F667 HydrophobicContact CD2-CB 4.49Å; Y659-F667 HydrophobicContact CD2-CD2 4.1Å; Y659-F667 HydrophobicContact CD2-CG 4.38Å; Y659-F667 HydrophobicContact CE1-CD1 4.45Å; Y659-F667 AromaticContact CE1-CD2 3.99Å; Y659-F667 HydrophobicContact CE1-CD2 3.99Å; Y659-F667 HydrophobicContact CE1-CE1 4.22Å; Y659-F667 AromaticContact CE1-CE2 3.72Å; Y659-F667 HydrophobicContact CE1-CE2 3.72Å; Y659-F667 HydrophobicContact CE1-CG 4.35Å; Y659-F667 AromaticContact CE1-CZ 3.86Å; Y659-F667 HydrophobicContact CE1-CZ 3.86Å; Y659-F667 HydrophobicContact CE2-CB 4.43Å; Y659-F667 HydrophobicContact CE2-CD2 4.36Å; Y659-F667 HydrophobicContact CE2-CG 4.28Å; Y659-F667 AromaticContact CG-CD2 3.76Å; Y659-F667 HydrophobicContact CG-CD2 3.76Å; Y659-F667 HydrophobicContact CG-CE2 4.01Å; Y659-F667 HydrophobicContact CG-CG 4.46Å
660H66Low68.6Low105 Ų10581.1 Ų81.149%0.48642%0.415SS..  trans-59.4134.9166.9-159.6-74.8000109.8Y662 L663 K664H660-Y662 VanDerWaalsContact C-N 3.26Å; H660-Y662 AromaticContact CE1-CD2 3.24Å; H660-Y662 WeakPolarHBondContact CE1-CD2 3.27Å; H660-Y662 AromaticContact CE1-CE2 3.43Å; H660-Y662 VanDerWaalsContact CE1-CE2 3.43Å; H660-Y662 WeakPolarHBondContact CE1-CE2 2.98Å; H660-Y662 AromaticContact ND1-CD2 3.23Å; H660-Y662 WeakPolarHBondContact ND1-CD2 3.37Å; H660-Y662 AromaticContact ND1-CE2 3.92Å; H660-Y662 AromaticContact ND1-CG 3.87Å; H660-Y662 PolarHBondContact O-N 2.92Å; H660-Y662 VanDerWaalsContact O-N 3.11Å; H660-L663 PolarHBondContact O-N 3.44Å; H660-K664 PolarHBondContact O-N 3.08Å
661P66.8Low69.5Low95 Ų9578.9 Ų78.962%0.61740%0.403SS*.G310 helixtrans-51.8-39.8-173.613.9-29.8000114.2L663 K664P661-L663 VanDerWaalsContact C-N 3.27Å; P661-L663 PolarHBondContact O-N 3.28Å; P661-K664 VanDerWaalsContact O-CB 3.29Å; P661-K664 WeakPolarHBondContact O-CB 3.06Å; P661-K664 PolarHBondContact O-N 2.95Å
662Y69.6Low70.5Confident197 Ų19778.7 Ų78.777%0.77340%0.402SS*.G310 helixtrans-57-30.4175.9-59.4-50.1000115.4H660H660-Y662 VanDerWaalsContact C-N 3.26Å; H660-Y662 AromaticContact CE1-CD2 3.24Å; H660-Y662 WeakPolarHBondContact CE1-CD2 3.27Å; H660-Y662 AromaticContact CE1-CE2 3.43Å; H660-Y662 VanDerWaalsContact CE1-CE2 3.43Å; H660-Y662 WeakPolarHBondContact CE1-CE2 2.98Å; H660-Y662 AromaticContact ND1-CD2 3.23Å; H660-Y662 WeakPolarHBondContact ND1-CD2 3.37Å; H660-Y662 AromaticContact ND1-CE2 3.92Å; H660-Y662 AromaticContact ND1-CG 3.87Å; H660-Y662 PolarHBondContact O-N 2.92Å; H660-Y662 VanDerWaalsContact O-N 3.11Å
663L74Confident71.6Confident100 Ų10080.8 Ų80.852%0.52441%0.41SS..G310 helixtrans-91.1-17.7-177.9-61.5176.7000113H660 P661 G666 F667H660-L663 PolarHBondContact O-N 3.44Å; P661-L663 VanDerWaalsContact C-N 3.27Å; P661-L663 PolarHBondContact O-N 3.28Å; L663-G666 PolarHBondContact O-N 3.11Å; L663-F667 HydrophobicContact CB-CD2 3.72Å; L663-F667 HydrophobicContact CB-CE2 3.58Å; L663-F667 HydrophobicContact CD1-CE2 4.02Å; L663-F667 HydrophobicContact CG-CE2 4.39Å; L663-F667 VanDerWaalsContact O-CD2 3.31Å; L663-F667 WeakPolarHBondContact O-CD2 3.13Å; L663-F667 PolarHBondContact O-N 3.35Å
664K71.9Confident72.8Confident122 Ų12280.3 Ų80.353%0.5341%0.408SS..Hα-helixtrans-47.7-52.9-178.2-174.4-179.1176.9-1750114.1H660 P661 G666 F667 D668H660-K664 PolarHBondContact O-N 3.08Å; P661-K664 VanDerWaalsContact O-CB 3.29Å; P661-K664 WeakPolarHBondContact O-CB 3.06Å; P661-K664 PolarHBondContact O-N 2.95Å; K664-G666 VanDerWaalsContact C-N 3.32Å; K664-G666 PolarHBondContact O-N 3.22Å; K664-F667 PolarHBondContact O-N 2.92Å; K664-D668 WeakPolarHBondContact O-CB 3.42Å; K664-D668 VanDerWaalsContact O-CG 3.32Å; K664-D668 PolarHBondContact O-N 3.45Å
665P77.1Confident74Confident53 Ų5379.5 Ų79.534%0.34441%0.405SS..Hα-helixtrans-62.9-36.4-176.724.9-35.5000113.1L111 I669L111-P665 HydrophobicContact CD1-CB 4.31Å; L111-P665 HydrophobicContact CD2-CB 3.77Å; P665-I669 VanDerWaalsContact O-CG1 3.32Å; P665-I669 WeakPolarHBondContact O-CG1 3.3Å; P665-I669 PolarHBondContact O-N 3.06Å; P665-I669 VanDerWaalsContact O-N 3.11Å
666G80.1Confident75.8Confident36 Ų3671.9 Ų71.937%0.37137%0.371SS..Hα-helixtrans-67-44.1175.800000112.2L663 K664 I669 I670L663-G666 PolarHBondContact O-N 3.11Å; K664-G666 VanDerWaalsContact C-N 3.32Å; K664-G666 PolarHBondContact O-N 3.22Å; G666-I669 PolarHBondContact O-N 3.44Å; G666-I670 WeakPolarHBondContact O-CB 3.22Å; G666-I670 WeakPolarHBondContact O-CD1 3.28Å; G666-I670 VanDerWaalsContact O-CG1 3.26Å; G666-I670 WeakPolarHBondContact O-CG1 3.4Å; G666-I670 PolarHBondContact O-N 3.49Å
667F79.4Confident77.3Confident63 Ų6368.7 Ų68.728%0.27636%0.355SS..Hα-helixtrans-64.5-40.6174.9-77.6-60.9000112.6Y659 L663 K664 I669 I670 N671Y659-F667 AromaticContact CD1-CD2 3.69Å; Y659-F667 HydrophobicContact CD1-CD2 3.69Å; Y659-F667 AromaticContact CD1-CE2 3.46Å; Y659-F667 HydrophobicContact CD1-CE2 3.46Å; Y659-F667 VanDerWaalsContact CD1-CE2 3.46Å; Y659-F667 HydrophobicContact CD1-CG 4.44Å; Y659-F667 HydrophobicContact CD1-CZ 4.07Å; Y659-F667 HydrophobicContact CD2-CB 4.49Å; Y659-F667 HydrophobicContact CD2-CD2 4.1Å; Y659-F667 HydrophobicContact CD2-CG 4.38Å; Y659-F667 HydrophobicContact CE1-CD1 4.45Å; Y659-F667 AromaticContact CE1-CD2 3.99Å; Y659-F667 HydrophobicContact CE1-CD2 3.99Å; Y659-F667 HydrophobicContact CE1-CE1 4.22Å; Y659-F667 AromaticContact CE1-CE2 3.72Å; Y659-F667 HydrophobicContact CE1-CE2 3.72Å; Y659-F667 HydrophobicContact CE1-CG 4.35Å; Y659-F667 AromaticContact CE1-CZ 3.86Å; Y659-F667 HydrophobicContact CE1-CZ 3.86Å; Y659-F667 HydrophobicContact CE2-CB 4.43Å; Y659-F667 HydrophobicContact CE2-CD2 4.36Å; Y659-F667 HydrophobicContact CE2-CG 4.28Å; Y659-F667 AromaticContact CG-CD2 3.76Å; Y659-F667 HydrophobicContact CG-CD2 3.76Å; Y659-F667 HydrophobicContact CG-CE2 4.01Å; Y659-F667 HydrophobicContact CG-CG 4.46Å; L663-F667 HydrophobicContact CB-CD2 3.72Å; L663-F667 HydrophobicContact CB-CE2 3.58Å; L663-F667 HydrophobicContact CD1-CE2 4.02Å; L663-F667 HydrophobicContact CG-CE2 4.39Å; L663-F667 VanDerWaalsContact O-CD2 3.31Å; L663-F667 WeakPolarHBondContact O-CD2 3.13Å; L663-F667 PolarHBondContact O-N 3.35Å; K664-F667 PolarHBondContact O-N 2.92Å; F667-I669 PolarHBondContact O-N 3.27Å; F667-I670 PolarHBondContact O-N 3.04Å; F667-N671 VanDerWaalsContact O-CB 3.23Å; F667-N671 WeakPolarHBondContact O-CB 3.24Å; F667-N671 PolarHBondContact O-N 3.03Å
668D77.7Confident78.7Confident56 Ų5665.7 Ų65.730%0.29934%0.336SS..Hα-helixtrans-61.2-43.2177.2-72.7-21.9000111.2L115 K664 A672L115-D668 HydrophobicContact CD1-CB 4.15Å; L115-D668 HydrophobicContact CD2-CB 4.12Å; L115-D668 WeakPolarHBondContact CD2-O 3.48Å; K664-D668 WeakPolarHBondContact O-CB 3.42Å; K664-D668 VanDerWaalsContact O-CG 3.32Å; K664-D668 PolarHBondContact O-N 3.45Å; D668-A672 VanDerWaalsContact O-CB 3.24Å; D668-A672 WeakPolarHBondContact O-CB 3.14Å; D668-A672 PolarHBondContact O-N 3.09Å
669I85.8Confident80.3Confident64 Ų6460.5 Ų60.533%0.32830%0.303SS..Hα-helixtrans-65.1-47.3176.3-70.1167.4000111.6L111 L115 I118 P665 G666 F667 N671 A672 F673L111-I669 HydrophobicContact CD1-CD1 3.81Å; L111-I669 HydrophobicContact CD1-CG1 3.87Å; L115-I669 HydrophobicContact CD2-CG1 3.97Å; I118-I669 HydrophobicContact CD1-CG2 4.06Å; P665-I669 VanDerWaalsContact O-CG1 3.32Å; P665-I669 WeakPolarHBondContact O-CG1 3.3Å; P665-I669 PolarHBondContact O-N 3.06Å; P665-I669 VanDerWaalsContact O-N 3.11Å; G666-I669 PolarHBondContact O-N 3.44Å; F667-I669 PolarHBondContact O-N 3.27Å; I669-N671 VanDerWaalsContact C-N 3.34Å; I669-N671 PolarHBondContact O-N 2.84Å; I669-A672 PolarHBondContact O-N 2.99Å; I669-F673 PolarHBondContact O-N 3.42Å
670I84.3Confident81.6Confident90 Ų9058.6 Ų58.646%0.46230%0.298SS..Hα-helixtrans-61.6-44.8178.8-70165.5000110.3G666 F667 F673 L674G666-I670 WeakPolarHBondContact O-CB 3.22Å; G666-I670 WeakPolarHBondContact O-CD1 3.28Å; G666-I670 VanDerWaalsContact O-CG1 3.26Å; G666-I670 WeakPolarHBondContact O-CG1 3.4Å; G666-I670 PolarHBondContact O-N 3.49Å; F667-I670 PolarHBondContact O-N 3.04Å; I670-F673 PolarHBondContact O-N 2.92Å; I670-L674 HydrophobicContact CG2-CD1 3.8Å; I670-L674 HydrophobicContact CG2-CG 4.37Å; I670-L674 WeakPolarHBondContact O-CB 3.29Å; I670-L674 VanDerWaalsContact O-CG 3.29Å; I670-L674 WeakPolarHBondContact O-CG 3.3Å; I670-L674 PolarHBondContact O-N 3.02Å
671N82.2Confident82.7Confident27 Ų2758.6 Ų58.614%0.14429%0.294CS..Hα-helixtrans-64.8-45.2177.9-174.618.3000111.6P651 I654 F667 I669 F673 L674 T675P651-N671 WeakPolarHBondContact CB-OD1 3.28Å; P651-N671 PolarHBondContact O-OD1 2.98Å; I654-N671 HydrophobicContact CG2-CB 4.35Å; F667-N671 VanDerWaalsContact O-CB 3.23Å; F667-N671 WeakPolarHBondContact O-CB 3.24Å; F667-N671 PolarHBondContact O-N 3.03Å; I669-N671 VanDerWaalsContact C-N 3.34Å; I669-N671 PolarHBondContact O-N 2.84Å; N671-F673 VanDerWaalsContact C-N 3.29Å; N671-F673 PolarHBondContact O-N 3.47Å; N671-L674 PolarHBondContact O-N 2.77Å; N671-T675 VanDerWaalsContact O-CB 3.22Å; N671-T675 WeakPolarHBondContact O-CB 3.4Å; N671-T675 PolarHBondContact O-N 3.24Å; N671-T675 PolarHBondContact O-OG1 3.23Å; N671-T675 VanDerWaalsContact O-OG1 3.09Å; N671-T675 PolarHBondContact OD1-OG1 3.45Å
672A85.8Confident83.7Confident0 Ų054.1 Ų54.10%027%0.265CS..Hα-helixtrans-56.8-44.7176.900000111.6L115 I118 F119 D668 I669 S676L115-A672 HydrophobicContact CD2-CB 3.75Å; I118-A672 HydrophobicContact CB-CB 4.37Å; I118-A672 HydrophobicContact CG2-CB 3.8Å; F119-A672 HydrophobicContact CD1-CB 4.45Å; F119-A672 HydrophobicContact CD2-CB 3.96Å; F119-A672 HydrophobicContact CE1-CB 4.07Å; F119-A672 HydrophobicContact CE2-CB 3.52Å; F119-A672 HydrophobicContact CG-CB 4.4Å; F119-A672 VanDerWaalsContact CZ-CA 3.49Å; F119-A672 HydrophobicContact CZ-CB 3.59Å; D668-A672 VanDerWaalsContact O-CB 3.24Å; D668-A672 WeakPolarHBondContact O-CB 3.14Å; D668-A672 PolarHBondContact O-N 3.09Å; I669-A672 PolarHBondContact O-N 2.99Å; A672-S676 WeakPolarHBondContact O-CB 3.12Å; A672-S676 PolarHBondContact O-N 3.29Å; A672-S676 PolarHBondContact O-OG 3.08Å
673F88.8Confident84.8Confident107 Ų10744.8 Ų44.847%0.46923%0.228SC..Hα-helixtrans-64.9-48.2176.6179.6-93.5000112.7I118 I669 I670 N671 S676 T677I118-F673 HydrophobicContact CG2-CB 4.17Å; I669-F673 PolarHBondContact O-N 3.42Å; I670-F673 PolarHBondContact O-N 2.92Å; N671-F673 VanDerWaalsContact C-N 3.29Å; N671-F673 PolarHBondContact O-N 3.47Å; F673-S676 PolarHBondContact O-OG 2.03Å; F673-T677 HydrophobicContact CD2-CG2 4.2Å; F673-T677 HydrophobicContact CE2-CG2 3.99Å; F673-T677 HydrophobicContact CZ-CG2 4.18Å; F673-T677 WeakPolarHBondContact O-CB 3.5Å; F673-T677 VanDerWaalsContact O-CG2 3.29Å; F673-T677 WeakPolarHBondContact O-CG2 3.43Å; F673-T677 PolarHBondContact O-N 3.25Å; F673-T677 PolarHBondContact O-OG1 2.88Å
674L86.1Confident85.4Confident48 Ų4842.9 Ų42.925%0.25122%0.218SC..Hα-helixtrans-65-43.8-178.8-70.1172.7000111.9P651 I670 N671 Q678P651-L674 HydrophobicContact CB-CB 4.12Å; P651-L674 HydrophobicContact CG-CB 3.69Å; P651-L674 HydrophobicContact CG-CD1 4.37Å; I670-L674 HydrophobicContact CG2-CD1 3.8Å; I670-L674 HydrophobicContact CG2-CG 4.37Å; I670-L674 WeakPolarHBondContact O-CB 3.29Å; I670-L674 VanDerWaalsContact O-CG 3.29Å; I670-L674 WeakPolarHBondContact O-CG 3.3Å; I670-L674 PolarHBondContact O-N 3.02Å; N671-L674 PolarHBondContact O-N 2.77Å; L674-Q678 PolarHBondContact O-N 2.84Å; L674-Q678 VanDerWaalsContact O-N 3.09Å
675T85.3Confident86Confident10 Ų1039 Ų396%0.06120%0.203CC..Hα-helixtrans-69.8-42.3-179-63.40000111.7F119 Y123 P651 N671F119-T675 HydrophobicContact CE1-CG2 4.29Å; Y123-T675 WeakPolarHBondContact OH-CG2 3.35Å; P651-T675 WeakPolarHBondContact CB-OG1 3.29Å; N671-T675 VanDerWaalsContact O-CB 3.22Å; N671-T675 WeakPolarHBondContact O-CB 3.4Å; N671-T675 PolarHBondContact O-N 3.24Å; N671-T675 PolarHBondContact O-OG1 3.23Å; N671-T675 VanDerWaalsContact O-OG1 3.09Å; N671-T675 PolarHBondContact OD1-OG1 3.45Å
676S90.9Very high86.3Confident2 Ų237.7 Ų37.71%0.01419%0.191CC..Hα-helixtrans-71.9-32.8179.3770000112.9I118 G122 S126 A672 F673I118-S676 PolarHBondContact O-OG 2.74Å; I118-S676 VanDerWaalsContact O-OG 3.1Å; G122-S676 CarbonylContact C-O 3.6Å; G122-S676 WeakPolarHBondContact CA-OG 3.38Å; G122-S676 VanDerWaalsContact O-O 3.04Å; S126-S676 PolarHBondContact OG-O 3.48Å; A672-S676 WeakPolarHBondContact O-CB 3.12Å; A672-S676 PolarHBondContact O-N 3.29Å; A672-S676 PolarHBondContact O-OG 3.08Å; F673-S676 PolarHBondContact O-OG 2.03Å
677T90.5Very high86.7Confident11 Ų1136 Ų367%0.06717%0.174CC..Hα-helixtrans-90.2-3.9179.865.50000114.8F673 G679 I680 W681F673-T677 HydrophobicContact CD2-CG2 4.2Å; F673-T677 HydrophobicContact CE2-CG2 3.99Å; F673-T677 HydrophobicContact CZ-CG2 4.18Å; F673-T677 WeakPolarHBondContact O-CB 3.5Å; F673-T677 VanDerWaalsContact O-CG2 3.29Å; F673-T677 WeakPolarHBondContact O-CG2 3.43Å; F673-T677 PolarHBondContact O-N 3.25Å; F673-T677 PolarHBondContact O-OG1 2.88Å; T677-G679 VanDerWaalsContact C-N 3.26Å; T677-G679 PolarHBondContact O-N 2.78Å; T677-G679 VanDerWaalsContact O-N 3.15Å; T677-I680 HydrophobicContact CG2-CD1 4.1Å; T677-I680 WeakPolarHBondContact O-CB 3.21Å; T677-I680 PolarHBondContact O-N 3.09Å; T677-W681 PolarHBondContact O-N 2.93Å; T677-W681 PolarHBondContact OG1-NE1 3.02Å; T677-W681 VanDerWaalsContact OG1-NE1 3.15Å
678Q89.2Confident87Confident7 Ų736.6 Ų36.63%0.03318%0.176CC..Hα-helixtrans-49-44.6-178.3-172.3-176.98.100112.7L158 L648 L674 I680 W681 V682L158-Q678 HydrophobicContact CD2-CG 4.09Å; L648-Q678 PolarHBondContact O-NE2 2.02Å; L674-Q678 PolarHBondContact O-N 2.84Å; L674-Q678 VanDerWaalsContact O-N 3.09Å; Q678-I680 VanDerWaalsContact C-N 3.3Å; Q678-I680 PolarHBondContact O-N 2.92Å; Q678-W681 PolarHBondContact O-N 3.34Å; Q678-V682 HydrophobicContact CG-CG2 4.29Å; Q678-V682 WeakPolarHBondContact O-CB 3.01Å; Q678-V682 VanDerWaalsContact O-CG2 3.27Å; Q678-V682 WeakPolarHBondContact O-CG2 3.25Å; Q678-V682 PolarHBondContact O-N 3.49Å
679G91.4Very high87.3Confident2 Ų237.6 Ų37.62%0.02118%0.181CC..Hα-helixtrans-62-33.6179.400000114S126 T677 T683S126-G679 PolarHBondContact OG-N 2.94Å; T677-G679 VanDerWaalsContact C-N 3.26Å; T677-G679 PolarHBondContact O-N 2.78Å; T677-G679 VanDerWaalsContact O-N 3.15Å; G679-T683 WeakPolarHBondContact O-CB 3.32Å; G679-T683 PolarHBondContact O-N 3.07Å; G679-T683 PolarHBondContact O-OG1 3.22Å
680I91.5Very high87.1Confident36 Ų3636.6 Ų36.619%0.18518%0.178CC..Hα-helixtrans-66.6-51.9175.1-54.2167000109.8L125 S126 T677 Q678 V682 T683 L684L125-I680 HydrophobicContact CB-CD1 4.07Å; L125-I680 HydrophobicContact CD2-CD1 3.56Å; L125-I680 HydrophobicContact CG-CD1 3.58Å; L125-I680 HydrophobicContact CG-CG1 4.16Å; S126-I680 PolarHBondContact OG-N 2.59Å; T677-I680 HydrophobicContact CG2-CD1 4.1Å; T677-I680 WeakPolarHBondContact O-CB 3.21Å; T677-I680 PolarHBondContact O-N 3.09Å; Q678-I680 VanDerWaalsContact C-N 3.3Å; Q678-I680 PolarHBondContact O-N 2.92Å; I680-V682 PolarHBondContact O-N 3.37Å; I680-T683 PolarHBondContact O-N 3.38Å; I680-L684 WeakPolarHBondContact O-CB 3.49Å; I680-L684 PolarHBondContact O-N 3.27Å
681W88.5Confident87Confident105 Ų10539.5 Ų39.540%0.39819%0.187SC..Hα-helixtrans-60.1-47.8-178.4-66.2110.3000112L647 T677 Q678 L684 L685L647-W681 HydrophobicContact CD1-CB 4.44Å; L647-W681 HydrophobicContact CD2-CB 3.89Å; L647-W681 HydrophobicContact CD2-CG 3.8Å; T677-W681 PolarHBondContact O-N 2.93Å; T677-W681 PolarHBondContact OG1-NE1 3.02Å; T677-W681 VanDerWaalsContact OG1-NE1 3.15Å; Q678-W681 PolarHBondContact O-N 3.34Å; W681-L684 PolarHBondContact O-N 3.48Å; W681-L685 WeakPolarHBondContact O-CB 3.4Å; W681-L685 WeakPolarHBondContact O-CD1 3.48Å; W681-L685 VanDerWaalsContact O-CG 3.29Å; W681-L685 WeakPolarHBondContact O-CG 3.43Å; W681-L685 PolarHBondContact O-N 2.88Å
682V88.7Confident87Confident1 Ų141.6 Ų41.61%0.00620%0.196CC..Hα-helixtrans-63.4-44.6179.3174.60000111L154 F155 L158 L648 Q678 I680 L685 Y686L154-V682 HydrophobicContact CD2-CG1 4.21Å; F155-V682 HydrophobicContact CD1-CG1 4.15Å; F155-V682 HydrophobicContact CE1-CG1 3.83Å; L158-V682 HydrophobicContact CD1-CB 4.19Å; L158-V682 HydrophobicContact CD1-CG1 3.95Å; L158-V682 HydrophobicContact CD1-CG2 4.39Å; L648-V682 HydrophobicContact CD2-CG2 3.44Å; L648-V682 VanDerWaalsContact CD2-CG2 3.44Å; Q678-V682 HydrophobicContact CG-CG2 4.29Å; Q678-V682 WeakPolarHBondContact O-CB 3.01Å; Q678-V682 VanDerWaalsContact O-CG2 3.27Å; Q678-V682 WeakPolarHBondContact O-CG2 3.25Å; Q678-V682 PolarHBondContact O-N 3.49Å; I680-V682 PolarHBondContact O-N 3.37Å; V682-L685 PolarHBondContact O-N 2.97Å; V682-Y686 HydrophobicContact CG1-CD2 3.74Å; V682-Y686 HydrophobicContact CG1-CE2 4Å; V682-Y686 WeakPolarHBondContact O-CB 3.35Å; V682-Y686 PolarHBondContact O-N 3.47Å
683T90.9Very high86.9Confident0 Ų042.1 Ų42.10%020%0.2CC..Hα-helixtrans-62.4-44.6175.2-65.50000112.3C129 L130 A133 G679 I680 C687 F688C129-T683 HydrophobicContact CB-CG2 4.13Å; L130-T683 WeakPolarHBondContact CD2-OG1 3.27Å; A133-T683 HydrophobicContact CB-CG2 3.66Å; G679-T683 WeakPolarHBondContact O-CB 3.32Å; G679-T683 PolarHBondContact O-N 3.07Å; G679-T683 PolarHBondContact O-OG1 3.22Å; I680-T683 PolarHBondContact O-N 3.38Å; T683-C687 HydrophobicContact CG2-CB 4.33Å; T683-C687 WeakPolarHBondContact O-CA 3.43Å; T683-C687 WeakPolarHBondContact O-CB 3.43Å; T683-C687 PolarHBondContact O-N 3.38Å; T683-F688 HydrophobicContact CG2-CD2 3.86Å; T683-F688 HydrophobicContact CG2-CE2 3.47Å; T683-F688 VanDerWaalsContact CG2-CE2 3.47Å; T683-F688 HydrophobicContact CG2-CZ 4.23Å; T683-F688 PolarHBondContact O-N 3.12Å
684L87.8Confident86.8Confident61 Ų6142.6 Ų42.632%0.31920%0.198SC..Iπ-helixtrans-61.8-47.1179.9-179.5141.1000110.2I680 W681 F688 L689I680-L684 WeakPolarHBondContact O-CB 3.49Å; I680-L684 PolarHBondContact O-N 3.27Å; W681-L684 PolarHBondContact O-N 3.48Å; L684-F688 PolarHBondContact O-N 3.16Å; L684-L689 HydrophobicContact CD2-CD1 3.49Å; L684-L689 VanDerWaalsContact CD2-CD1 3.49Å; L684-L689 HydrophobicContact CD2-CD2 4.25Å; L684-L689 HydrophobicContact CD2-CG 3.68Å; L684-L689 HydrophobicContact CG-CD1 4.41Å; L684-L689 HydrophobicContact CG-CD2 4.42Å; L684-L689 HydrophobicContact CG-CG 4.07Å; L684-L689 VanDerWaalsContact O-CB 3.3Å; L684-L689 WeakPolarHBondContact O-CB 3.41Å; L684-L689 VanDerWaalsContact O-CG 3.25Å; L684-L689 WeakPolarHBondContact O-CG 3.43Å; L684-L689 PolarHBondContact O-N 3.1Å
685L83.8Confident86.8Confident40 Ų4046.5 Ų46.521%0.20921%0.21CC..Iπ-helixtrans-67.9-47.7-179.2-71.4159.8000112.9L644 W681 V682 L689 T690L644-L685 HydrophobicContact CD2-CB 4.12Å; L644-L685 HydrophobicContact CD2-CD1 3.56Å; L644-L685 HydrophobicContact CD2-CG 4.38Å; L644-L685 HydrophobicContact CG-CD1 3.97Å; W681-L685 WeakPolarHBondContact O-CB 3.4Å; W681-L685 WeakPolarHBondContact O-CD1 3.48Å; W681-L685 VanDerWaalsContact O-CG 3.29Å; W681-L685 WeakPolarHBondContact O-CG 3.43Å; W681-L685 PolarHBondContact O-N 2.88Å; V682-L685 PolarHBondContact O-N 2.97Å; L685-L689 HydrophobicContact CD2-CD1 4.19Å; L685-T690 PolarHBondContact O-OG1 2.65Å
686Y84.3Confident86.9Confident26 Ų2647.4 Ų47.410%0.10221%0.213CC..Iπ-helixtrans-88.3-30.6-174.2-64.7-34.2000114.8H151 L154 F155 E213 L644 V682 T690H151-Y686 AromaticContact CE1-CD1 3.86Å; H151-Y686 AromaticContact CE1-CD2 3.98Å; H151-Y686 AromaticContact CE1-CE1 3.84Å; H151-Y686 AromaticContact CE1-CE2 3.95Å; H151-Y686 AromaticContact CE1-CG 3.95Å; H151-Y686 AromaticContact CE1-CZ 3.88Å; H151-Y686 AromaticContact ND1-CD2 3.71Å; H151-Y686 AromaticContact ND1-CE2 3.79Å; L154-Y686 HydrophobicContact CD2-CE2 4.19Å; F155-Y686 HydrophobicContact CE1-CD2 4.23Å; E213-Y686 PolarHBondContact OE1-OH 2.88Å; L644-Y686 HydrophobicContact CD1-CE1 3.69Å; L644-Y686 HydrophobicContact CD2-CE1 3.97Å; L644-Y686 HydrophobicContact CD2-CE2 4.36Å; V682-Y686 HydrophobicContact CG1-CD2 3.74Å; V682-Y686 HydrophobicContact CG1-CE2 4Å; V682-Y686 WeakPolarHBondContact O-CB 3.35Å; V682-Y686 PolarHBondContact O-N 3.47Å; Y686-T690 WeakPolarHBondContact O-CB 3.38Å; Y686-T690 PolarHBondContact O-OG1 3.49Å
687C87.5Confident86.6Confident0 Ų052.9 Ų52.90%024%0.237CC..Iπ-helixtrans-99.1-68.8177.8-165.30000112.3A133 F137 T683 T690 V693A133-C687 HydrophobicContact CB-CB 4.03Å; F137-C687 HydrophobicContact CZ-CB 4.29Å; T683-C687 HydrophobicContact CG2-CB 4.33Å; T683-C687 WeakPolarHBondContact O-CA 3.43Å; T683-C687 WeakPolarHBondContact O-CB 3.43Å; T683-C687 PolarHBondContact O-N 3.38Å; C687-T690 PolarHBondContact O-N 2.93Å; C687-V693 WeakPolarHBondContact O-CB 3.48Å; C687-V693 WeakPolarHBondContact O-CG2 3.46Å
688F86Confident86.4Confident75 Ų7560.8 Ų60.833%0.32927%0.266SS..Iπ-helixtrans-74.8-33.3-165.7-61.5-53.8000114.6L132 I136 T683 L684 R694L132-F688 HydrophobicContact CD2-CE1 4.43Å; L132-F688 HydrophobicContact CD2-CZ 3.87Å; L132-F688 HydrophobicContact CG-CZ 4.13Å; I136-F688 HydrophobicContact CD1-CE1 3.75Å; I136-F688 HydrophobicContact CD1-CZ 4.48Å; T683-F688 HydrophobicContact CG2-CD2 3.86Å; T683-F688 HydrophobicContact CG2-CE2 3.47Å; T683-F688 VanDerWaalsContact CG2-CE2 3.47Å; T683-F688 HydrophobicContact CG2-CZ 4.23Å; T683-F688 PolarHBondContact O-N 3.12Å; L684-F688 PolarHBondContact O-N 3.16Å; F688-R694 WeakPolarHBondContact O-CG 3.47Å; F688-R694 PolarHBondContact O-NE 3.27Å
689L83.1Confident86.3Confident78 Ų7866 Ų6641%0.40829%0.288SS..SBendtrans-80.7-20177.7-64.4-165.3000113.4L684 L685 K691 R694L684-L689 HydrophobicContact CD2-CD1 3.49Å; L684-L689 VanDerWaalsContact CD2-CD1 3.49Å; L684-L689 HydrophobicContact CD2-CD2 4.25Å; L684-L689 HydrophobicContact CD2-CG 3.68Å; L684-L689 HydrophobicContact CG-CD1 4.41Å; L684-L689 HydrophobicContact CG-CD2 4.42Å; L684-L689 HydrophobicContact CG-CG 4.07Å; L684-L689 VanDerWaalsContact O-CB 3.3Å; L684-L689 WeakPolarHBondContact O-CB 3.41Å; L684-L689 VanDerWaalsContact O-CG 3.25Å; L684-L689 WeakPolarHBondContact O-CG 3.43Å; L684-L689 PolarHBondContact O-N 3.1Å; L685-L689 HydrophobicContact CD2-CD1 4.19Å; L689-K691 PolarHBondContact O-N 3.38Å; L689-R694 PolarHBondContact O-NE 3.47Å
690T82.6Confident85.9Confident42 Ų4269.1 Ų69.126%0.25830%0.302SS..  trans-62118.5-176.5-67.40000112L685 Y686 C687 E692 V693 R694L685-T690 PolarHBondContact O-OG1 2.65Å; Y686-T690 WeakPolarHBondContact O-CB 3.38Å; Y686-T690 PolarHBondContact O-OG1 3.49Å; C687-T690 PolarHBondContact O-N 2.93Å; T690-E692 HydrophobicContact CG2-CB 3.98Å; T690-E692 PolarHBondContact O-N 2.86Å; T690-V693 HydrophobicContact CG2-CG2 4.05Å; T690-V693 PolarHBondContact O-N 3.39Å; T690-V693 VanDerWaalsContact O-N 3.08Å; T690-R694 PolarHBondContact O-N 2.85Å
691K81.6Confident85.6Confident152 Ų15271.1 Ų71.166%0.66131%0.313SS*.Hα-helixtrans-51.3-34.1-179.9-68.3179.9-177.4173.60112E633 L689 R695E633-K691 IonicContact OE2-NZ 2.58Å; E633-K691 PolarHBondContact OE2-NZ 2.92Å; L689-K691 PolarHBondContact O-N 3.38Å; K691-R695 VanDerWaalsContact O-CB 3.27Å; K691-R695 WeakPolarHBondContact O-CB 3.32Å; K691-R695 PolarHBondContact O-N 2.86Å; K691-R695 VanDerWaalsContact O-N 3.08Å
692E82.5Confident85.5Confident70 Ų7074 Ų7433%0.32733%0.328SS..Hα-helixtrans-68.4-49.3177.1173.8148.2-119.600113.9L143 T690 R694 R695 Q696L143-E692 HydrophobicContact CD2-CG 3.73Å; T690-E692 HydrophobicContact CG2-CB 3.98Å; T690-E692 PolarHBondContact O-N 2.86Å; E692-R694 PolarHBondContact O-N 3.11Å; E692-R695 WeakPolarHBondContact O-CA 3.42Å; E692-R695 WeakPolarHBondContact O-CB 3.39Å; E692-R695 PolarHBondContact O-N 3.16Å; E692-R695 IonicContact OE1-NH2 2.74Å; E692-R695 PolarHBondContact OE1-NH2 3.11Å; E692-Q696 WeakPolarHBondContact O-CG 3.44Å; E692-Q696 PolarHBondContact O-N 3.02Å
693V83.9Confident85.3Confident12 Ų1277.7 Ų77.77%0.07335%0.351CS..Hα-helixtrans-60-48.4179.5-178.40000109.9I136 F137 L143 C687 T690 R695 Q696 F697I136-V693 HydrophobicContact CG2-CG1 4.09Å; F137-V693 HydrophobicContact CE1-CG2 4.12Å; L143-V693 HydrophobicContact CD1-CB 4.49Å; L143-V693 HydrophobicContact CD1-CG1 4.24Å; L143-V693 HydrophobicContact CD1-CG2 4.02Å; L143-V693 HydrophobicContact CD2-CG2 4.16Å; C687-V693 WeakPolarHBondContact O-CB 3.48Å; C687-V693 WeakPolarHBondContact O-CG2 3.46Å; T690-V693 HydrophobicContact CG2-CG2 4.05Å; T690-V693 PolarHBondContact O-N 3.39Å; T690-V693 VanDerWaalsContact O-N 3.08Å; V693-R695 VanDerWaalsContact C-N 3.26Å; V693-R695 PolarHBondContact O-N 3.31Å; V693-Q696 PolarHBondContact O-N 3.47Å; V693-Q696 VanDerWaalsContact O-N 3.1Å; V693-F697 PolarHBondContact O-N 3.27Å
694R86.1Confident84.9Confident116 Ų11685.6 Ų85.644%0.43838%0.38SS..Hα-helixtrans-56.3-38.6174.1-62.1177.8-177.2179.4-4.8112.5F688 L689 T690 E692 R698F688-R694 WeakPolarHBondContact O-CG 3.47Å; F688-R694 PolarHBondContact O-NE 3.27Å; L689-R694 PolarHBondContact O-NE 3.47Å; T690-R694 PolarHBondContact O-N 2.85Å; E692-R694 PolarHBondContact O-N 3.11Å; R694-R698 WeakPolarHBondContact O-CB 3.5Å; R694-R698 VanDerWaalsContact O-CG 3.28Å; R694-R698 WeakPolarHBondContact O-CG 3.39Å; R694-R698 PolarHBondContact O-N 3.18Å
695R86.5Confident84.6Confident131 Ų13187 Ų8749%0.49439%0.391SS..Hα-helixtrans-67.2-42.1176.5179.8-179.568.9168.9-1.6111.7K691 E692 V693 K699K691-R695 VanDerWaalsContact O-CB 3.27Å; K691-R695 WeakPolarHBondContact O-CB 3.32Å; K691-R695 PolarHBondContact O-N 2.86Å; K691-R695 VanDerWaalsContact O-N 3.08Å; E692-R695 WeakPolarHBondContact O-CA 3.42Å; E692-R695 WeakPolarHBondContact O-CB 3.39Å; E692-R695 PolarHBondContact O-N 3.16Å; E692-R695 IonicContact OE1-NH2 2.74Å; E692-R695 PolarHBondContact OE1-NH2 3.11Å; V693-R695 VanDerWaalsContact C-N 3.26Å; V693-R695 PolarHBondContact O-N 3.31Å; R695-K699 WeakPolarHBondContact O-CB 3.32Å; R695-K699 WeakPolarHBondContact O-CG 3.01Å; R695-K699 PolarHBondContact O-N 3.38Å
696Q86.9Confident84.5Confident29 Ų2990.4 Ų90.414%0.13641%0.41CS..Hα-helixtrans-66.1-42.2175.8-61.9-63-17.300111.4F140 S142 L143 E692 V693 K699 Q700F140-Q696 HydrophobicContact CD1-CB 3.83Å; F140-Q696 HydrophobicContact CE1-CB 3.93Å; S142-Q696 VanDerWaalsContact OG-CD 3.25Å; S142-Q696 PolarHBondContact OG-OE1 2.95Å; S142-Q696 VanDerWaalsContact OG-OE1 3.12Å; L143-Q696 HydrophobicContact CD2-CG 3.82Å; L143-Q696 HydrophobicContact CG-CG 4.28Å; E692-Q696 WeakPolarHBondContact O-CG 3.44Å; E692-Q696 PolarHBondContact O-N 3.02Å; V693-Q696 PolarHBondContact O-N 3.47Å; V693-Q696 VanDerWaalsContact O-N 3.1Å; Q696-K699 WeakPolarHBondContact O-CB 3.21Å; Q696-K699 PolarHBondContact O-N 3.36Å; Q696-Q700 PolarHBondContact O-N 2.99Å
697F85.3Confident84.1Confident116 Ų11697.7 Ų97.751%0.50944%0.437SS..Hα-helixtrans-62.1-48.8176.3-164.9-105.2000111.6F140 V693 K699 Q700 L701F140-F697 HydrophobicContact CZ-CD2 4.34Å; V693-F697 PolarHBondContact O-N 3.27Å; F697-K699 VanDerWaalsContact C-N 3.3Å; F697-K699 PolarHBondContact O-N 3.16Å; F697-Q700 PolarHBondContact O-N 3.1Å; F697-L701 HydrophobicContact CD1-CD1 3.71Å; F697-L701 HydrophobicContact CD1-CG 4.14Å; F697-L701 HydrophobicContact CE1-CD1 3.57Å; F697-L701 HydrophobicContact CE1-CD2 4.36Å; F697-L701 HydrophobicContact CE1-CG 4.01Å; F697-L701 HydrophobicContact CZ-CD1 4.46Å; F697-L701 HydrophobicContact CZ-CD2 4.5Å; F697-L701 WeakPolarHBondContact O-CG 3.49Å; F697-L701 PolarHBondContact O-N 3.24Å
698R86.1Confident83.5Confident178 Ų178102.1 Ų102.167%0.67246%0.464SS*.Hα-helixtrans-58.6-37.6173.6-74.3176.7-177.9-163.2-0.4112.9R694 K702R694-R698 WeakPolarHBondContact O-CB 3.5Å; R694-R698 VanDerWaalsContact O-CG 3.28Å; R694-R698 WeakPolarHBondContact O-CG 3.39Å; R694-R698 PolarHBondContact O-N 3.18Å; R698-K702 WeakPolarHBondContact O-CG 3.43Å; R698-K702 PolarHBondContact O-N 3.05Å
699K86.5Confident82.8Confident117 Ų117101.9 Ų101.951%0.50947%0.471SS..Hα-helixtrans-63.6-49.6173.8-78.8-180176.5-170.20111.2R695 Q696 F697 L701 K702 T703R695-K699 WeakPolarHBondContact O-CB 3.32Å; R695-K699 WeakPolarHBondContact O-CG 3.01Å; R695-K699 PolarHBondContact O-N 3.38Å; Q696-K699 WeakPolarHBondContact O-CB 3.21Å; Q696-K699 PolarHBondContact O-N 3.36Å; F697-K699 VanDerWaalsContact C-N 3.3Å; F697-K699 PolarHBondContact O-N 3.16Å; K699-L701 PolarHBondContact O-N 3.5Å; K699-K702 PolarHBondContact O-N 2.8Å; K699-T703 PolarHBondContact O-N 3Å; K699-T703 PolarHBondContact O-OG1 2.65Å; K699-T703 VanDerWaalsContact O-OG1 3.1Å
700Q83.5Confident82.1Confident67 Ų67102.6 Ų102.631%0.31348%0.475SS..Hα-helixtrans-62.4-41.9177.2-83.4-160.213.200112.9F140 Q696 F697 T703 R704F140-Q700 HydrophobicContact CE1-CB 4.37Å; F140-Q700 HydrophobicContact CE1-CG 3.69Å; F140-Q700 HydrophobicContact CZ-CG 4.12Å; Q696-Q700 PolarHBondContact O-N 2.99Å; F697-Q700 PolarHBondContact O-N 3.1Å; Q700-T703 PolarHBondContact O-N 3.3Å; Q700-R704 WeakPolarHBondContact O-CG 3.46Å; Q700-R704 PolarHBondContact O-N 3.01Å
701L84.8Confident81.1Confident78 Ų78105.9 Ų105.941%0.40849%0.488SS..Hα-helixtrans-57.2-51.8174.3-74.5178.5000110.8F697 K699 T703 R704 T705F697-L701 HydrophobicContact CD1-CD1 3.71Å; F697-L701 HydrophobicContact CD1-CG 4.14Å; F697-L701 HydrophobicContact CE1-CD1 3.57Å; F697-L701 HydrophobicContact CE1-CD2 4.36Å; F697-L701 HydrophobicContact CE1-CG 4.01Å; F697-L701 HydrophobicContact CZ-CD1 4.46Å; F697-L701 HydrophobicContact CZ-CD2 4.5Å; F697-L701 WeakPolarHBondContact O-CG 3.49Å; F697-L701 PolarHBondContact O-N 3.24Å; K699-L701 PolarHBondContact O-N 3.5Å; L701-T703 VanDerWaalsContact C-N 3.3Å; L701-T703 PolarHBondContact O-N 2.91Å; L701-R704 PolarHBondContact O-N 3.37Å; L701-T705 PolarHBondContact O-N 3.19Å; L701-T705 PolarHBondContact O-OG1 3.41Å; L701-T705 VanDerWaalsContact O-OG1 3.05Å
702K86.9Confident80.1Confident165 Ų165102.5 Ų102.572%0.71748%0.481SS*.Hα-helixtrans-55.8-42.2175.9-74.4-174.3176.7-161.30112.5R698 K699 L706R698-K702 WeakPolarHBondContact O-CG 3.43Å; R698-K702 PolarHBondContact O-N 3.05Å; K699-K702 PolarHBondContact O-N 2.8Å; K702-L706 VanDerWaalsContact O-CB 3.32Å; K702-L706 WeakPolarHBondContact O-CB 3.31Å; K702-L706 PolarHBondContact O-N 2.78Å
703T84.8Confident78.9Confident78 Ų78106.1 Ų106.148%0.47950%0.497SS..Hα-helixtrans-67-35.7176.1-55.50000112.9K699 Q700 L701 R707K699-T703 PolarHBondContact O-N 3Å; K699-T703 PolarHBondContact O-OG1 2.65Å; K699-T703 VanDerWaalsContact O-OG1 3.1Å; Q700-T703 PolarHBondContact O-N 3.3Å; L701-T703 VanDerWaalsContact C-N 3.3Å; L701-T703 PolarHBondContact O-N 2.91Å; T703-R707 WeakPolarHBondContact O-CG 3Å; T703-R707 PolarHBondContact O-N 2.86Å; T703-R707 VanDerWaalsContact O-N 3.15Å
704R81.5Confident77.6Confident166 Ų166113.9 Ų113.963%0.62653%0.525SS*.Hα-helixtrans-69.3-49.3174.7-74.5-177.2-180-166.80.2111.2Q700 L701 L706 R707 T708Q700-R704 WeakPolarHBondContact O-CG 3.46Å; Q700-R704 PolarHBondContact O-N 3.01Å; L701-R704 PolarHBondContact O-N 3.37Å; R704-L706 VanDerWaalsContact C-N 3.29Å; R704-L706 PolarHBondContact O-N 3.21Å; R704-R707 WeakPolarHBondContact O-CA 3.43Å; R704-R707 WeakPolarHBondContact O-CB 3.36Å; R704-R707 PolarHBondContact O-N 3.4Å; R704-T708 PolarHBondContact O-N 3.23Å; R704-T708 PolarHBondContact O-OG1 3.39Å
705T81.9Confident76.3Confident90 Ų90116.8 Ų116.855%0.55254%0.536SS*.Hα-helixtrans-57.9-40.3177-52.70000112.1L701 T708 S709L701-T705 PolarHBondContact O-N 3.19Å; L701-T705 PolarHBondContact O-OG1 3.41Å; L701-T705 VanDerWaalsContact O-OG1 3.05Å; T705-T708 WeakPolarHBondContact CA-OG1 3.41Å; T705-T708 PolarHBondContact O-N 2.74Å; T705-T708 PolarHBondContact O-OG1 2.75Å; T705-S709 PolarHBondContact O-N 2.97Å; T705-S709 PolarHBondContact O-OG 3.27Å
706L81.8Confident75.1Confident113 Ų113113.6 Ų113.659%0.59253%0.534SS*.Hα-helixtrans-68.6-33.7176-166.968.9000112.4K702 R704 S709 L710K702-L706 VanDerWaalsContact O-CB 3.32Å; K702-L706 WeakPolarHBondContact O-CB 3.31Å; K702-L706 PolarHBondContact O-N 2.78Å; R704-L706 VanDerWaalsContact C-N 3.29Å; R704-L706 PolarHBondContact O-N 3.21Å; L706-S709 PolarHBondContact O-OG 3.27Å; L706-S709 VanDerWaalsContact O-OG 3.11Å; L706-L710 WeakPolarHBondContact O-CB 3.49Å; L706-L710 WeakPolarHBondContact O-CD1 3.28Å; L706-L710 PolarHBondContact O-N 3.11Å
707R76.3Confident73.8Confident179 Ų179115.2 Ų115.268%0.67555%0.553SS**Hα-helixtrans-70.5-38172.8-78.6-179.1179.7179.3-0.1112.4T703 R704 L710 H711T703-R707 WeakPolarHBondContact O-CG 3Å; T703-R707 PolarHBondContact O-N 2.86Å; T703-R707 VanDerWaalsContact O-N 3.15Å; R704-R707 WeakPolarHBondContact O-CA 3.43Å; R704-R707 WeakPolarHBondContact O-CB 3.36Å; R704-R707 PolarHBondContact O-N 3.4Å; R707-L710 PolarHBondContact O-N 2.64Å; R707-H711 PolarHBondContact O-N 3.41Å
708T75.5Confident72.6Confident93 Ų93119.3 Ų119.357%0.57157%0.565SS**Hα-helixtrans-70.7-37.1178.352.20000111.9R704 T705 L710 H711 P712R704-T708 PolarHBondContact O-N 3.23Å; R704-T708 PolarHBondContact O-OG1 3.39Å; T705-T708 WeakPolarHBondContact CA-OG1 3.41Å; T705-T708 PolarHBondContact O-N 2.74Å; T705-T708 PolarHBondContact O-OG1 2.75Å; T708-L710 VanDerWaalsContact C-N 3.35Å; T708-L710 PolarHBondContact O-N 3.23Å; T708-H711 WeakPolarHBondContact O-CB 3.28Å; T708-H711 PolarHBondContact O-N 3.34Å; T708-P712 WeakPolarHBondContact O-CD 3.38Å
709S71.8Confident71.4Confident69 Ų69116.7 Ų116.748%0.48356%0.562SS.*Hα-helixtrans-68.5-29.9174.264.40000113.6T705 L706 H711 P712T705-S709 PolarHBondContact O-N 2.97Å; T705-S709 PolarHBondContact O-OG 3.27Å; L706-S709 PolarHBondContact O-OG 3.27Å; L706-S709 VanDerWaalsContact O-OG 3.11Å; S709-H711 VanDerWaalsContact C-N 3.3Å; S709-H711 PolarHBondContact O-N 2.82Å; S709-P712 WeakPolarHBondContact O-CD 3.5Å
710L66.9Low70.1Confident93 Ų93116.2 Ų116.249%0.48757%0.565SS.*Hα-helixtrans-73.7-16.6171.9-84.5161.2000113.9L706 R707 T708 R714L706-L710 WeakPolarHBondContact O-CB 3.49Å; L706-L710 WeakPolarHBondContact O-CD1 3.28Å; L706-L710 PolarHBondContact O-N 3.11Å; R707-L710 PolarHBondContact O-N 2.64Å; T708-L710 VanDerWaalsContact C-N 3.35Å; T708-L710 PolarHBondContact O-N 3.23Å; L710-R714 PolarHBondContact O-N 2.85Å
711H61.8Low69Low112 Ų112120.5 Ų120.552%0.51958%0.582SS.*Hα-helixtrans-73.5-42.4-174.2-149-41.7000115.5R707 T708 S709 R715R707-H711 PolarHBondContact O-N 3.41Å; T708-H711 WeakPolarHBondContact O-CB 3.28Å; T708-H711 PolarHBondContact O-N 3.34Å; S709-H711 VanDerWaalsContact C-N 3.3Å; S709-H711 PolarHBondContact O-N 2.82Å; H711-R715 PolarHBondContact O-N 3.49Å
712P60.6Low67.8Low80 Ų80127.1 Ų127.152%0.51960%0.602SS.*Hα-helixtrans-65.6-39.9172.323.4-31.7000111.4T708 S709 R714 R715 S716T708-P712 WeakPolarHBondContact O-CD 3.38Å; S709-P712 WeakPolarHBondContact O-CD 3.5Å; P712-R714 VanDerWaalsContact C-N 3.3Å; P712-R714 PolarHBondContact O-N 3.35Å; P712-R715 WeakPolarHBondContact O-CA 3.48Å; P712-R715 WeakPolarHBondContact O-CB 3.28Å; P712-R715 PolarHBondContact O-N 3.09Å; P712-S716 PolarHBondContact O-N 2.84Å
713H57.8Low66.4Low146 Ų146127 Ų12768%0.67660%0.604SS**Hα-helixtrans-62.2-36.4-179-138.4-35000112.7A717H713-A717 VanDerWaalsContact O-CB 3.31Å; H713-A717 WeakPolarHBondContact O-CB 3.29Å; H713-A717 PolarHBondContact O-N 3.07Å; H713-A717 VanDerWaalsContact O-N 3.07Å
714R57.1Low65.2Low175 Ų175127.6 Ų127.666%0.6661%0.611SS**Hα-helixtrans-72.3-25.2171.6-78.6-175.3172.4-170.2-2.8114.1L710 P712 R718L710-R714 PolarHBondContact O-N 2.85Å; P712-R714 VanDerWaalsContact C-N 3.3Å; P712-R714 PolarHBondContact O-N 3.35Å; R714-R718 WeakPolarHBondContact O-CB 3.43Å; R714-R718 PolarHBondContact O-N 3.11Å
715R58.6Low63.8Low177 Ų177126.7 Ų126.767%0.66863%0.63SS**Hα-helixtrans-73.9-50.1172.8-83.3-174.7171.9174.7-2.4110.7H711 P712 A717 R718 M719H711-R715 PolarHBondContact O-N 3.49Å; P712-R715 WeakPolarHBondContact O-CA 3.48Å; P712-R715 WeakPolarHBondContact O-CB 3.28Å; P712-R715 PolarHBondContact O-N 3.09Å; R715-A717 VanDerWaalsContact C-N 3.34Å; R715-A717 PolarHBondContact O-N 2.88Å; R715-R718 PolarHBondContact O-N 3.34Å; R715-M719 WeakPolarHBondContact O-CG 3.33Å; R715-M719 PolarHBondContact O-N 3.4Å
716S61.1Low62.9Low64 Ų64128.6 Ų128.645%0.44863%0.634SS.*Hα-helixtrans-59-43.3175-59.80000112.2P712 R718 M719 N720P712-S716 PolarHBondContact O-N 2.84Å; S716-R718 PolarHBondContact O-N 3.33Å; S716-M719 PolarHBondContact O-N 3.29Å; S716-M719 VanDerWaalsContact O-N 3.12Å; S716-N720 PolarHBondContact O-N 2.83Å; S716-N720 PolarHBondContact O-OD1 2.02Å
717A60Low61.9Low63 Ų63129.4 Ų129.452%0.52164%0.637SS.*Hα-helixtrans-62.5-27.3175.500000113.9H713 R715 K721H713-A717 VanDerWaalsContact O-CB 3.31Å; H713-A717 WeakPolarHBondContact O-CB 3.29Å; H713-A717 PolarHBondContact O-N 3.07Å; H713-A717 VanDerWaalsContact O-N 3.07Å; R715-A717 VanDerWaalsContact C-N 3.34Å; R715-A717 PolarHBondContact O-N 2.88Å; A717-K721 WeakPolarHBondContact O-CB 3.47Å
718R58.5Low61.1Low203 Ų203126.6 Ų126.677%0.76663%0.634SS**Hα-helixtrans-81.5-30.5172.8-87.5-175.8169.8-178.4-3.6113.4R714 R715 S716 R722R714-R718 WeakPolarHBondContact O-CB 3.43Å; R714-R718 PolarHBondContact O-N 3.11Å; R715-R718 PolarHBondContact O-N 3.34Å; S716-R718 PolarHBondContact O-N 3.33Å; R718-R722 PolarHBondContact O-N 3.05Å
719M61.1Low60.2Low123 Ų123128.6 Ų128.661%0.60664%0.638SS**Hα-helixtrans-74.1-46.2176.3-60.9-144.2-55.900111.2R715 S716 K721 R722 Q723R715-M719 WeakPolarHBondContact O-CG 3.33Å; R715-M719 PolarHBondContact O-N 3.4Å; S716-M719 PolarHBondContact O-N 3.29Å; S716-M719 VanDerWaalsContact O-N 3.12Å; M719-K721 PolarHBondContact O-N 3.45Å; M719-R722 CarbonylContact O-C 3.53Å; M719-R722 WeakPolarHBondContact O-CA 3.36Å; M719-R722 PolarHBondContact O-N 2.97Å; M719-Q723 PolarHBondContact O-N 3.02Å; M719-Q723 VanDerWaalsContact O-N 3.12Å
720N59.6Low59.5Low107 Ų107132.3 Ų132.357%0.57265%0.648SS**Hα-helixtrans-59.3-37176.3-67.424.1000111.6S716 R722 Q723 S724S716-N720 PolarHBondContact O-N 2.83Å; S716-N720 PolarHBondContact O-OD1 2.02Å; N720-R722 PolarHBondContact O-N 3.43Å; N720-Q723 PolarHBondContact O-N 2.84Å; N720-S724 PolarHBondContact O-N 2.69Å; N720-S724 VanDerWaalsContact O-N 3.12Å; N720-S724 PolarHBondContact O-OG 3.3Å
721K61.6Low59Low157 Ų157134.9 Ų134.968%0.68366%0.659SS**Hα-helixtrans-74.6-6175.2-151.6-176.7179.8-175.10114.4A717 M719 S725A717-K721 WeakPolarHBondContact O-CB 3.47Å; M719-K721 PolarHBondContact O-N 3.45Å; K721-S725 PolarHBondContact O-OG 2.88Å
722R59.5Low58.8Low216 Ų216136.6 Ų136.682%0.81567%0.669SS**Hα-helixtrans-103.4-7.8170.4-82.4-175.8168.9-171.2-5.5113.2R718 M719 N720R718-R722 PolarHBondContact O-N 3.05Å; M719-R722 CarbonylContact O-C 3.53Å; M719-R722 WeakPolarHBondContact O-CA 3.36Å; M719-R722 PolarHBondContact O-N 2.97Å; N720-R722 PolarHBondContact O-N 3.43Å
723Q57.7Low58.7Low163 Ų163140.9 Ų140.976%0.76268%0.68SS**Hα-helixtrans-101.4-10.5170-76.4175.4-52.800112.3M719 N720M719-Q723 PolarHBondContact O-N 3.02Å; M719-Q723 VanDerWaalsContact O-N 3.12Å; N720-Q723 PolarHBondContact O-N 2.84Å
724S58.1Low58.8Low91 Ų91140.5 Ų140.564%0.63668%0.68SS**  trans-105.622.2174.7800000112.9N720N720-S724 PolarHBondContact O-N 2.69Å; N720-S724 VanDerWaalsContact O-N 3.12Å; N720-S724 PolarHBondContact O-OG 3.3Å
725S52.3Low58.9Low147 Ų147137.4 Ų137.4100%1.02868%0.682SS**  trans-147.10178.2-630000107.7K721K721-S725 PolarHBondContact O-OG 2.88Å

Retrieved 725 of 725 residues in 1175.9 ms (Link to these results)

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