A0A5K4F799_SCHMA Loading...

Phage protein

AlphaFold DB , UniProt , Accession A0A5K4F799, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 140 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
1M34.5Very low53.2Low240 Ų24093.8 Ų93.8100%1.18251%0.509SS*.  097.30-74.1173.3176.500107.5T3M1-T3 PolarHBondContact O-N 3.04Å
2G41.1Very low53.6Low81 Ų8188.3 Ų88.384%0.83548%0.478SS*.  trans-69.7113176.200000108.1S4G2-S4 PolarHBondContact O-N 3.14Å
3T46.3Very low54.1Low74 Ų7485.5 Ų85.545%0.45446%0.459SS..  trans-52.2120.2170.1-29.10000106.9M1 I5 K7 R8M1-T3 PolarHBondContact O-N 3.04Å; T3-I5 PolarHBondContact O-N 3.07Å; T3-I5 VanDerWaalsContact O-N 3.14Å; T3-K7 HydrophobicContact CG2-CB 4.3Å; T3-K7 HydrophobicContact CG2-CD 3.87Å; T3-K7 HydrophobicContact CG2-CG 4.3Å; T3-R8 HydrophobicContact CG2-CG 4.18Å
4S59.2Low55Low69 Ų6983.7 Ų83.748%0.48346%0.461SS..  trans-48.2125.9175.9158.10000108.1G2 N6 K7 R8G2-S4 PolarHBondContact O-N 3.14Å; S4-N6 PolarHBondContact O-N 2.94Å; S4-N6 VanDerWaalsContact O-N 3.09Å; S4-N6 PolarHBondContact OG-N 3.01Å; S4-K7 WeakPolarHBondContact O-CA 3.39Å; S4-K7 VanDerWaalsContact O-CB 3.25Å; S4-K7 WeakPolarHBondContact O-CB 3.42Å; S4-K7 PolarHBondContact O-N 2.8Å; S4-R8 PolarHBondContact O-N 2.87Å
5I50.2Low55.4Low40 Ų4081.9 Ų81.921%0.20545%0.451CS..Hα-helixtrans-52.4-35-179.3-75.4144.7000110.9T3 K7 R8 I9 L110 F113T3-I5 PolarHBondContact O-N 3.07Å; T3-I5 VanDerWaalsContact O-N 3.14Å; I5-K7 VanDerWaalsContact C-N 3.3Å; I5-K7 PolarHBondContact O-N 2.88Å; I5-R8 PolarHBondContact O-N 3.35Å; I5-I9 HydrophobicContact CG2-CD1 3.69Å; I5-I9 HydrophobicContact CG2-CG1 4.26Å; I5-I9 VanDerWaalsContact O-CG1 3.29Å; I5-I9 WeakPolarHBondContact O-CG1 3.28Å; I5-I9 PolarHBondContact O-N 3.25Å; I5-L110 HydrophobicContact CG2-CD2 4.42Å; I5-F113 HydrophobicContact CD1-CB 3.67Å; I5-F113 HydrophobicContact CD1-CD2 3.61Å; I5-F113 HydrophobicContact CD1-CG 3.99Å; I5-F113 HydrophobicContact CG2-CB 4.48Å
6N54.1Low55.3Low106 Ų10676.8 Ų76.857%0.56742%0.422SS*.Hα-helixtrans-58-42.1173.3-65-16.1000111.8S4 I9 E10S4-N6 PolarHBondContact O-N 2.94Å; S4-N6 VanDerWaalsContact O-N 3.09Å; S4-N6 PolarHBondContact OG-N 3.01Å; N6-I9 PolarHBondContact O-N 3.41Å; N6-E10 WeakPolarHBondContact O-CB 3.44Å; N6-E10 WeakPolarHBondContact O-CG 3.46Å; N6-E10 PolarHBondContact O-N 2.97Å
7K60.8Low55.9Low120 Ų12082.2 Ų82.252%0.52244%0.441SS..Hα-helixtrans-62.4-44.4176.3-172.4178.6177.2-166.30111.5T3 S4 I5 E10 E11T3-K7 HydrophobicContact CG2-CB 4.3Å; T3-K7 HydrophobicContact CG2-CD 3.87Å; T3-K7 HydrophobicContact CG2-CG 4.3Å; S4-K7 WeakPolarHBondContact O-CA 3.39Å; S4-K7 VanDerWaalsContact O-CB 3.25Å; S4-K7 WeakPolarHBondContact O-CB 3.42Å; S4-K7 PolarHBondContact O-N 2.8Å; I5-K7 VanDerWaalsContact C-N 3.3Å; I5-K7 PolarHBondContact O-N 2.88Å; K7-E10 PolarHBondContact O-N 3.27Å; K7-E11 WeakPolarHBondContact CE-OE1 3.27Å; K7-E11 IonicContact NZ-OE1 2.67Å; K7-E11 WeakPolarHBondContact O-CB 3.41Å; K7-E11 WeakPolarHBondContact O-CG 3.43Å; K7-E11 PolarHBondContact O-N 3.19Å
8R55.5Low56.5Low82 Ų8282.7 Ų82.731%0.30945%0.452SS..Hα-helixtrans-64.2-40.2176.6-72.3179.876.8-173.6-5.9112.3T3 S4 I5 E11 I12 D109T3-R8 HydrophobicContact CG2-CG 4.18Å; S4-R8 PolarHBondContact O-N 2.87Å; I5-R8 PolarHBondContact O-N 3.35Å; R8-E11 PolarHBondContact O-N 3.04Å; R8-I12 WeakPolarHBondContact O-CB 3.21Å; R8-I12 WeakPolarHBondContact O-CG1 3.19Å; R8-I12 PolarHBondContact O-N 3.14Å; R8-D109 IonicContact CZ-OD1 2.71Å; R8-D109 VanDerWaalsContact CZ-OD1 3.26Å; R8-D109 IonicContact CZ-OD2 2.8Å; R8-D109 IonicContact NE-OD2 3.54Å; R8-D109 PolarHBondContact NE-OD2 3Å; R8-D109 IonicContact NH1-OD1 2.77Å; R8-D109 PolarHBondContact NH1-OD1 3.14Å; R8-D109 IonicContact NH1-OD2 3.43Å; R8-D109 PolarHBondContact NH1-OD2 2.83Å; R8-D109 IonicContact NH2-OD1 2.74Å; R8-D109 PolarHBondContact NH2-OD1 3.37Å; R8-D109 IonicContact NH2-OD2 3.26Å; R8-D109 PolarHBondContact NH2-OD2 2.81Å
9I55.2Low56.8Low20 Ų2083.6 Ų83.610%0.10345%0.452CS..Hα-helixtrans-60.8-47.2174.8-68.7165.8000110.1I5 N6 I12 K13 I27 V106 L110I5-I9 HydrophobicContact CG2-CD1 3.69Å; I5-I9 HydrophobicContact CG2-CG1 4.26Å; I5-I9 VanDerWaalsContact O-CG1 3.29Å; I5-I9 WeakPolarHBondContact O-CG1 3.28Å; I5-I9 PolarHBondContact O-N 3.25Å; N6-I9 PolarHBondContact O-N 3.41Å; I9-I12 PolarHBondContact O-N 3.32Å; I9-K13 HydrophobicContact CG2-CD 4.21Å; I9-K13 HydrophobicContact CG2-CG 4.46Å; I9-K13 WeakPolarHBondContact O-CB 3.26Å; I9-K13 WeakPolarHBondContact O-CG 3.46Å; I9-K13 PolarHBondContact O-N 3.05Å; I9-I27 HydrophobicContact CG2-CG2 4.41Å; I9-V106 HydrophobicContact CG1-CG1 3.98Å; I9-L110 HydrophobicContact CD1-CD2 3.7Å; I9-L110 HydrophobicContact CG1-CD2 4.47Å
10E64.8Low56.8Low103 Ų10382.9 Ų82.948%0.48147%0.465SS..Hα-helixtrans-68-38.5-179.7-68.8-53.5127.600112.6N6 K7 I12 K13 A14N6-E10 WeakPolarHBondContact O-CB 3.44Å; N6-E10 WeakPolarHBondContact O-CG 3.46Å; N6-E10 PolarHBondContact O-N 2.97Å; K7-E10 PolarHBondContact O-N 3.27Å; E10-I12 VanDerWaalsContact C-N 3.29Å; E10-I12 PolarHBondContact O-N 3.24Å; E10-K13 PolarHBondContact O-N 3.41Å; E10-K13 WeakPolarHBondContact OE1-CD 3.39Å; E10-K13 IonicContact OE1-NZ 3.35Å; E10-K13 PolarHBondContact OE1-NZ 2.97Å; E10-A14 VanDerWaalsContact O-CB 3.31Å; E10-A14 WeakPolarHBondContact O-CB 3.45Å; E10-A14 PolarHBondContact O-N 2.74Å
11E63.1Low56.6Low97 Ų9779.4 Ų79.445%0.45345%0.446SS..Hα-helixtrans-59.2-41.1172.6-77170.3176.700111.6K7 R8 A14 N15K7-E11 WeakPolarHBondContact CE-OE1 3.27Å; K7-E11 IonicContact NZ-OE1 2.67Å; K7-E11 WeakPolarHBondContact O-CB 3.41Å; K7-E11 WeakPolarHBondContact O-CG 3.43Å; K7-E11 PolarHBondContact O-N 3.19Å; R8-E11 PolarHBondContact O-N 3.04Å; E11-A14 PolarHBondContact O-N 3.06Å; E11-N15 WeakPolarHBondContact O-CB 3.48Å; E11-N15 PolarHBondContact O-N 2.89Å
12I58.7Low57.6Low27 Ų2776.1 Ų76.114%0.13843%0.428CS..Hα-helixtrans-77.2-38.4-178.5-72.8163.7000111.3R8 I9 E10 A14 N15 L16 V106R8-I12 WeakPolarHBondContact O-CB 3.21Å; R8-I12 WeakPolarHBondContact O-CG1 3.19Å; R8-I12 PolarHBondContact O-N 3.14Å; I9-I12 PolarHBondContact O-N 3.32Å; E10-I12 VanDerWaalsContact C-N 3.29Å; E10-I12 PolarHBondContact O-N 3.24Å; I12-A14 VanDerWaalsContact C-N 3.3Å; I12-A14 PolarHBondContact O-N 3.48Å; I12-N15 PolarHBondContact O-N 3.29Å; I12-L16 HydrophobicContact CG2-CD1 3.75Å; I12-L16 HydrophobicContact CG2-CG 4.26Å; I12-L16 WeakPolarHBondContact O-CB 3.2Å; I12-L16 WeakPolarHBondContact O-CG 3.41Å; I12-L16 PolarHBondContact O-N 3.49Å; I12-V106 HydrophobicContact CB-CG2 3.99Å; I12-V106 HydrophobicContact CD1-CG2 3.05Å; I12-V106 HydrophobicContact CG1-CG2 4.04Å; I12-V106 HydrophobicContact CG2-CG2 3.81Å
13K59.9Low58Low53 Ų5372.4 Ų72.423%0.2339%0.389CS..Hα-helixtrans-56.4-45.6168.1-77.5178-179.6172.90111.6I9 E10 L16 K17 I27I9-K13 HydrophobicContact CG2-CD 4.21Å; I9-K13 HydrophobicContact CG2-CG 4.46Å; I9-K13 WeakPolarHBondContact O-CB 3.26Å; I9-K13 WeakPolarHBondContact O-CG 3.46Å; I9-K13 PolarHBondContact O-N 3.05Å; E10-K13 PolarHBondContact O-N 3.41Å; E10-K13 WeakPolarHBondContact OE1-CD 3.39Å; E10-K13 IonicContact OE1-NZ 3.35Å; E10-K13 PolarHBondContact OE1-NZ 2.97Å; K13-L16 PolarHBondContact O-N 3.34Å; K13-K17 WeakPolarHBondContact O-CB 3.46Å; K13-K17 PolarHBondContact O-N 2.86Å; K13-I27 HydrophobicContact CD-CD1 4.24Å; K13-I27 HydrophobicContact CG-CD1 3.42Å; K13-I27 VanDerWaalsContact CG-CD1 3.42Å
14A67.2Low58.4Low60 Ų6074 Ų7450%0.49640%0.395SS..Hα-helixtrans-62-44.617900000111.6E10 E11 I12 K17 S18E10-A14 VanDerWaalsContact O-CB 3.31Å; E10-A14 WeakPolarHBondContact O-CB 3.45Å; E10-A14 PolarHBondContact O-N 2.74Å; E11-A14 PolarHBondContact O-N 3.06Å; I12-A14 VanDerWaalsContact C-N 3.3Å; I12-A14 PolarHBondContact O-N 3.48Å; A14-K17 PolarHBondContact O-N 2.77Å; A14-S18 PolarHBondContact O-N 3.01Å; A14-S18 PolarHBondContact O-OG 2.88Å
15N60.9Low57.9Low56 Ų5677.8 Ų77.830%0.29941%0.405SS..Hα-helixtrans-62.8-45.7176-171.8-20.7000111.9E11 I12 K17 S18 H19 Q102E11-N15 WeakPolarHBondContact O-CB 3.48Å; E11-N15 PolarHBondContact O-N 2.89Å; I12-N15 PolarHBondContact O-N 3.29Å; N15-K17 VanDerWaalsContact C-N 3.35Å; N15-K17 PolarHBondContact O-N 3.36Å; N15-S18 PolarHBondContact O-N 3.31Å; N15-S18 PolarHBondContact O-OG 3.34Å; N15-H19 PolarHBondContact O-N 3.1Å; N15-H19 PolarHBondContact O-ND1 2.76Å; N15-H19 PolarHBondContact OD1-CE1 3.4Å; N15-H19 PolarHBondContact OD1-ND1 2.8Å; N15-Q102 PolarHBondContact ND2-OE1 3.14Å
16L53.8Low57.8Low0 Ų076.1 Ų76.10%040%0.397CS..Hα-helixtrans-64.8-41.8178.4-67.6170.9000111.4I12 K13 S18 H19 G20 V21 S23 Y99 I103I12-L16 HydrophobicContact CG2-CD1 3.75Å; I12-L16 HydrophobicContact CG2-CG 4.26Å; I12-L16 WeakPolarHBondContact O-CB 3.2Å; I12-L16 WeakPolarHBondContact O-CG 3.41Å; I12-L16 PolarHBondContact O-N 3.49Å; K13-L16 PolarHBondContact O-N 3.34Å; L16-S18 PolarHBondContact O-N 2.94Å; L16-H19 CarbonylContact O-C 3.59Å; L16-H19 PolarHBondContact O-N 3.14Å; L16-H19 VanDerWaalsContact O-N 3.14Å; L16-G20 PolarHBondContact O-N 3.38Å; L16-V21 CarbonylContact C-O 3.15Å; L16-V21 HydrophobicContact CB-CB 4.14Å; L16-V21 HydrophobicContact CD2-CB 4.31Å; L16-V21 HydrophobicContact CD2-CG1 4.3Å; L16-V21 WeakPolarHBondContact O-CB 3.47Å; L16-V21 PolarHBondContact O-N 3.46Å; L16-S23 WeakPolarHBondContact CD1-OG 3.44Å; L16-Y99 HydrophobicContact CD2-CD1 3.63Å; L16-Y99 HydrophobicContact CD2-CG 3.65Å; L16-I103 HydrophobicContact CD1-CD1 3.92Å; L16-I103 HydrophobicContact CD1-CG1 3.82Å; L16-I103 HydrophobicContact CD2-CD1 4.49Å
17K65.3Low57.7Low170 Ų17072 Ų7274%0.73938%0.375SS*.Hα-helixtrans-63.1-40.4176.7-172.9176.2-179.5178.60112.2K13 A14 N15 H19 G20K13-K17 WeakPolarHBondContact O-CB 3.46Å; K13-K17 PolarHBondContact O-N 2.86Å; A14-K17 PolarHBondContact O-N 2.77Å; N15-K17 VanDerWaalsContact C-N 3.35Å; N15-K17 PolarHBondContact O-N 3.36Å; K17-H19 PolarHBondContact O-N 3.35Å; K17-G20 PolarHBondContact O-N 3.15Å
18S67.1Low57.3Low91 Ų9170.1 Ų70.164%0.63637%0.368SS*.Hα-helixtrans-64.5-22.3176.9670000112.9A14 N15 L16A14-S18 PolarHBondContact O-N 3.01Å; A14-S18 PolarHBondContact O-OG 2.88Å; N15-S18 PolarHBondContact O-N 3.31Å; N15-S18 PolarHBondContact O-OG 3.34Å; L16-S18 PolarHBondContact O-N 2.94Å
19H60.9Low56.8Low99 Ų9967.4 Ų67.446%0.45836%0.361SS..THydrogen-bonded Turntrans-98.111.7175.5-64.898.7000113.6N15 L16 K17 V21 Y99N15-H19 PolarHBondContact O-N 3.1Å; N15-H19 PolarHBondContact O-ND1 2.76Å; N15-H19 PolarHBondContact OD1-CE1 3.4Å; N15-H19 PolarHBondContact OD1-ND1 2.8Å; L16-H19 CarbonylContact O-C 3.59Å; L16-H19 PolarHBondContact O-N 3.14Å; L16-H19 VanDerWaalsContact O-N 3.14Å; K17-H19 PolarHBondContact O-N 3.35Å; H19-V21 VanDerWaalsContact C-N 3.26Å; H19-V21 HydrophobicContact CB-CG2 4.41Å; H19-V21 PolarHBondContact O-N 3.21Å; H19-Y99 HydrophobicContact CB-CE1 4.1Å; H19-Y99 HydrophobicContact CB-CE2 4.21Å; H19-Y99 VanDerWaalsContact CB-OH 3.26Å; H19-Y99 WeakPolarHBondContact CB-OH 3.48Å; H19-Y99 AromaticContact CD2-CZ 3.88Å; H19-Y99 PolarHBondContact CD2-OH 3.33Å; H19-Y99 AromaticContact CG-CE1 3.84Å; H19-Y99 AromaticContact CG-CZ 3.59Å; H19-Y99 AromaticContact ND1-CE1 3.83Å
20G56.9Low56.5Low69 Ų6968.7 Ų68.771%0.71136%0.364SS*.THydrogen-bonded Turntrans7312.4178.800000114.8L16 K17L16-G20 PolarHBondContact O-N 3.38Å; K17-G20 PolarHBondContact O-N 3.15Å
21V52.7Low55.9Low11 Ų1168.1 Ų68.17%0.06736%0.358CS..  trans-89116.2-179.4-176.60000110.1L16 H19 S23 V95 P96 Y99L16-V21 CarbonylContact C-O 3.15Å; L16-V21 HydrophobicContact CB-CB 4.14Å; L16-V21 HydrophobicContact CD2-CB 4.31Å; L16-V21 HydrophobicContact CD2-CG1 4.3Å; L16-V21 WeakPolarHBondContact O-CB 3.47Å; L16-V21 PolarHBondContact O-N 3.46Å; H19-V21 VanDerWaalsContact C-N 3.26Å; H19-V21 HydrophobicContact CB-CG2 4.41Å; H19-V21 PolarHBondContact O-N 3.21Å; V21-S23 PolarHBondContact O-N 3.28Å; V21-S23 VanDerWaalsContact O-N 3.15Å; V21-V95 HydrophobicContact CG1-CG2 4.41Å; V21-P96 HydrophobicContact CG2-CG 4.13Å; V21-Y99 HydrophobicContact CG2-CD2 3.79Å; V21-Y99 HydrophobicContact CG2-CE2 3.86Å
22Q55.3Low55.2Low170 Ų17064.2 Ų64.279%0.79434%0.341SS*.  trans-74.4101.4169.3-72-171.1-13.900109.9
23S51Low54.7Low4 Ų465 Ų653%0.02834%0.343CS..  trans-105.4-10.5-175.960.70000114.4L16 V21 Q25 A26 I27L16-S23 WeakPolarHBondContact CD1-OG 3.44Å; V21-S23 PolarHBondContact O-N 3.28Å; V21-S23 VanDerWaalsContact O-N 3.15Å; S23-Q25 VanDerWaalsContact C-N 3.25Å; S23-Q25 PolarHBondContact O-N 3.2Å; S23-A26 WeakPolarHBondContact O-CB 3.14Å; S23-A26 PolarHBondContact O-N 3.31Å; S23-I27 WeakPolarHBondContact O-CG1 3.31Å; S23-I27 PolarHBondContact O-N 2.86Å
24D53.5Low54.2Low106 Ų10662.6 Ų62.657%0.56733%0.333SS*.Hα-helixtrans-55.7-42.2-177.6-69.3-35.7000111.8E28D24-E28 WeakPolarHBondContact O-CB 3.21Å; D24-E28 PolarHBondContact O-N 3.17Å
25Q49.7Very low53.4Low150 Ų15063 Ų6370%0.70132%0.324SS*.Hα-helixtrans-64.3-42.8175.7-73.4-174.8-1200112.1S23 E28 C29S23-Q25 VanDerWaalsContact C-N 3.25Å; S23-Q25 PolarHBondContact O-N 3.2Å; Q25-E28 PolarHBondContact O-N 3.24Å; Q25-C29 WeakPolarHBondContact O-CB 3.47Å; Q25-C29 PolarHBondContact O-N 3.37Å
26A47.9Very low52.8Low4 Ų461.2 Ų61.23%0.03332%0.316CS..Hα-helixtrans-65-44.1179.500000111.6S23 C29 R30 C91S23-A26 WeakPolarHBondContact O-CB 3.14Å; S23-A26 PolarHBondContact O-N 3.31Å; A26-C29 WeakPolarHBondContact O-CB 3.43Å; A26-C29 PolarHBondContact O-N 2.98Å; A26-R30 VanDerWaalsContact O-CG 3.27Å; A26-R30 WeakPolarHBondContact O-CG 3.37Å; A26-R30 PolarHBondContact O-N 2.99Å; A26-C91 WeakPolarHBondContact CB-O 3.25Å
27I51.3Low52.6Low19 Ų1963.5 Ų63.510%0.09733%0.327CS..Hα-helixtrans-65.9-44.6178.5-65.4169.7000110.3I9 K13 S23 R30 R31I9-I27 HydrophobicContact CG2-CG2 4.41Å; K13-I27 HydrophobicContact CD-CD1 4.24Å; K13-I27 HydrophobicContact CG-CD1 3.42Å; K13-I27 VanDerWaalsContact CG-CD1 3.42Å; S23-I27 WeakPolarHBondContact O-CG1 3.31Å; S23-I27 PolarHBondContact O-N 2.86Å; I27-R30 PolarHBondContact O-N 3.35Å; I27-R31 WeakPolarHBondContact O-CB 3.19Å; I27-R31 PolarHBondContact O-N 3.44Å
28E51.9Low51.8Low82 Ų8257.7 Ų57.738%0.38330%0.301SS..Hα-helixtrans-67-39.5177.4-173.462-16600111.9D24 Q25 R30 R31 V32D24-E28 WeakPolarHBondContact O-CB 3.21Å; D24-E28 PolarHBondContact O-N 3.17Å; Q25-E28 PolarHBondContact O-N 3.24Å; E28-R30 VanDerWaalsContact C-N 3.27Å; E28-R30 PolarHBondContact O-N 2.87Å; E28-R31 PolarHBondContact O-N 3.31Å; E28-R31 IonicContact OE1-CZ 3.43Å; E28-R31 IonicContact OE1-NE 2.78Å; E28-R31 PolarHBondContact OE1-NE 3.43Å; E28-R31 IonicContact OE1-NH2 3.9Å; E28-R31 PolarHBondContact OE1-NH2 3.43Å; E28-R31 IonicContact OE2-CZ 3.28Å; E28-R31 IonicContact OE2-NE 2.71Å; E28-R31 PolarHBondContact OE2-NE 2.87Å; E28-R31 IonicContact OE2-NH2 2.83Å; E28-R31 PolarHBondContact OE2-NH2 3.45Å; E28-V32 WeakPolarHBondContact O-CB 3.39Å; E28-V32 WeakPolarHBondContact O-CG2 3.33Å; E28-V32 PolarHBondContact O-N 3.31Å; E28-V32 WeakPolarHBondContact OE1-CG2 3.05Å
29C46.4Very low50.9Low24 Ų2454.6 Ų54.616%0.16228%0.283CS..Hα-helixtrans-53-46.9172.3-168.30000110.2Q25 A26 F33 R86 C91Q25-C29 WeakPolarHBondContact O-CB 3.47Å; Q25-C29 PolarHBondContact O-N 3.37Å; A26-C29 WeakPolarHBondContact O-CB 3.43Å; A26-C29 PolarHBondContact O-N 2.98Å; C29-F33 VanDerWaalsContact O-CB 3.3Å; C29-F33 WeakPolarHBondContact O-CB 3.23Å; C29-F33 PolarHBondContact O-N 2.97Å; C29-R86 PolarHBondContact O-NH1 2.74Å; C29-C91 HydrophobicContact CB-CB 3.92Å; C29-C91 WeakPolarHBondContact CB-SG 3.4Å; C29-C91 WeakPolarHBondContact SG-CB 3.49Å; C29-C91 CovalentContact SG-SG 2.08Å; C29-C91 PolarHBondContact SG-SG 3.42Å
30R49.1Very low50.2Low47 Ų4750.5 Ų50.518%0.17727%0.266CS..Hα-helixtrans-77.5-42.2-178.1-66.5-70.2-88176.3-12.6113.5A26 I27 E28 V32 F33 Y34 Y92 N107A26-R30 VanDerWaalsContact O-CG 3.27Å; A26-R30 WeakPolarHBondContact O-CG 3.37Å; A26-R30 PolarHBondContact O-N 2.99Å; I27-R30 PolarHBondContact O-N 3.35Å; E28-R30 VanDerWaalsContact C-N 3.27Å; E28-R30 PolarHBondContact O-N 2.87Å; R30-V32 VanDerWaalsContact C-N 3.31Å; R30-V32 PolarHBondContact O-N 3.06Å; R30-F33 WeakPolarHBondContact O-CB 3.27Å; R30-F33 PolarHBondContact O-N 3.43Å; R30-Y34 HydrophobicContact CB-CE2 4.43Å; R30-Y34 PolarHBondContact NH2-OH 3.38Å; R30-Y34 WeakPolarHBondContact O-CD2 3.45Å; R30-Y34 PolarHBondContact O-N 2.94Å; R30-Y92 PolarHBondContact NE-OH 2.82Å; R30-N107 VanDerWaalsContact NE-CG 3.31Å; R30-N107 PolarHBondContact NE-ND2 3.09Å; R30-N107 PolarHBondContact NE-OD1 2.83Å; R30-N107 VanDerWaalsContact NH2-CG 3.31Å; R30-N107 PolarHBondContact NH2-ND2 3.47Å; R30-N107 VanDerWaalsContact NH2-ND2 3.14Å
31R50.7Low50Low92 Ų9253.8 Ų53.835%0.34726%0.257SS..Hα-helixtrans-53.6-51.4172.1157.5167.7112.884.810.3110.5I27 E28 Y34 E35 Y114I27-R31 WeakPolarHBondContact O-CB 3.19Å; I27-R31 PolarHBondContact O-N 3.44Å; E28-R31 PolarHBondContact O-N 3.31Å; E28-R31 IonicContact OE1-CZ 3.43Å; E28-R31 IonicContact OE1-NE 2.78Å; E28-R31 PolarHBondContact OE1-NE 3.43Å; E28-R31 IonicContact OE1-NH2 3.9Å; E28-R31 PolarHBondContact OE1-NH2 3.43Å; E28-R31 IonicContact OE2-CZ 3.28Å; E28-R31 IonicContact OE2-NE 2.71Å; E28-R31 PolarHBondContact OE2-NE 2.87Å; E28-R31 IonicContact OE2-NH2 2.83Å; E28-R31 PolarHBondContact OE2-NH2 3.45Å; R31-Y34 PolarHBondContact O-N 2.08Å; R31-E35 IonicContact NH1-OE1 3.86Å; R31-E35 IonicContact NH1-OE2 3.47Å; R31-E35 PolarHBondContact NH1-OE2 2.91Å; R31-E35 WeakPolarHBondContact O-CB 3.21Å; R31-E35 WeakPolarHBondContact O-CG 3.25Å; R31-E35 PolarHBondContact O-N 3.12Å; R31-Y114 WeakPolarHBondContact CG-OH 3.33Å
32V49.9Very low49.8Very low15 Ų1553.5 Ų53.59%0.09126%0.255CS..Hα-helixtrans-71.3-33.4-178.51730000111.4E28 R30 S36 R86E28-V32 WeakPolarHBondContact O-CB 3.39Å; E28-V32 WeakPolarHBondContact O-CG2 3.33Å; E28-V32 PolarHBondContact O-N 3.31Å; E28-V32 WeakPolarHBondContact OE1-CG2 3.05Å; R30-V32 VanDerWaalsContact C-N 3.31Å; R30-V32 PolarHBondContact O-N 3.06Å; V32-S36 WeakPolarHBondContact O-CB 3.33Å; V32-S36 PolarHBondContact O-N 3.41Å; V32-S36 PolarHBondContact O-OG 2.98Å; V32-R86 VanDerWaalsContact CG1-CZ 3.48Å; V32-R86 VanDerWaalsContact CG1-NH1 3.28Å
33F48.1Very low49.4Very low42 Ų4247.5 Ų47.518%0.18423%0.227CC..Hα-helixtrans-55.4-53.4169.7173.2-95.2000110.4C29 R30 S36 E37C29-F33 VanDerWaalsContact O-CB 3.3Å; C29-F33 WeakPolarHBondContact O-CB 3.23Å; C29-F33 PolarHBondContact O-N 2.97Å; R30-F33 WeakPolarHBondContact O-CB 3.27Å; R30-F33 PolarHBondContact O-N 3.43Å; F33-S36 CarbonylContact O-C 3.58Å; F33-S36 PolarHBondContact O-N 2.88Å; F33-S36 PolarHBondContact O-OG 2.88Å; F33-E37 HydrophobicContact CD1-CG 4.49Å; F33-E37 HydrophobicContact CD2-CG 4.39Å; F33-E37 VanDerWaalsContact CE1-CD 3.46Å; F33-E37 HydrophobicContact CE1-CG 4.01Å; F33-E37 WeakPolarHBondContact CE1-OE2 3.49Å; F33-E37 HydrophobicContact CE2-CG 3.9Å; F33-E37 HydrophobicContact CZ-CG 3.7Å; F33-E37 VanDerWaalsContact CZ-OE1 3.3Å; F33-E37 WeakPolarHBondContact CZ-OE1 3.29Å; F33-E37 WeakPolarHBondContact CZ-OE2 3.49Å; F33-E37 PolarHBondContact O-N 2.8Å
34Y48.6Very low49.4Very low4 Ų448.4 Ų48.42%0.01623%0.233CC..Hα-helixtrans-68.6-42.6-178.7-69.2-51000114R30 R31 S36 E37 Y38 N107 L110 N111 Y114R30-Y34 HydrophobicContact CB-CE2 4.43Å; R30-Y34 PolarHBondContact NH2-OH 3.38Å; R30-Y34 WeakPolarHBondContact O-CD2 3.45Å; R30-Y34 PolarHBondContact O-N 2.94Å; R31-Y34 PolarHBondContact O-N 2.08Å; Y34-S36 PolarHBondContact O-N 3.44Å; Y34-E37 PolarHBondContact O-N 3.49Å; Y34-Y38 HydrophobicContact CD1-CD2 4.29Å; Y34-Y38 HydrophobicContact CD1-CE2 4.1Å; Y34-Y38 WeakPolarHBondContact O-CB 3.25Å; Y34-Y38 PolarHBondContact O-N 2.97Å; Y34-N107 PolarHBondContact OH-O 2.99Å; Y34-N107 VanDerWaalsContact OH-O 3.12Å; Y34-L110 HydrophobicContact CD2-CB 3.95Å; Y34-L110 HydrophobicContact CE2-CB 3.75Å; Y34-L110 HydrophobicContact CE2-CD1 4.48Å; Y34-N111 WeakPolarHBondContact CD1-OD1 3.32Å; Y34-N111 WeakPolarHBondContact CE1-OD1 3.19Å; Y34-N111 VanDerWaalsContact CZ-CG 3.49Å; Y34-N111 PolarHBondContact OH-ND2 2.68Å; Y34-N111 PolarHBondContact OH-OD1 3.4Å; Y34-Y114 VanDerWaalsContact CB-CG 3.46Å; Y34-Y114 AromaticContact CD2-CD2 3.59Å; Y34-Y114 HydrophobicContact CD2-CD2 3.59Å; Y34-Y114 AromaticContact CD2-CE2 3.8Å; Y34-Y114 HydrophobicContact CD2-CE2 3.8Å; Y34-Y114 AromaticContact CG-CD2 3.56Å; Y34-Y114 HydrophobicContact CG-CD2 3.56Å; Y34-Y114 HydrophobicContact CG-CE2 4.07Å; Y34-Y114 HydrophobicContact CG-CG 4.27Å
35E49.9Very low49.5Very low67 Ų6746 Ų4631%0.31322%0.22SC..Hα-helixtrans-57.6-33173.5-73.7-171.4150.400111.4R31 G39 Y114 K117R31-E35 IonicContact NH1-OE1 3.86Å; R31-E35 IonicContact NH1-OE2 3.47Å; R31-E35 PolarHBondContact NH1-OE2 2.91Å; R31-E35 WeakPolarHBondContact O-CB 3.21Å; R31-E35 WeakPolarHBondContact O-CG 3.25Å; R31-E35 PolarHBondContact O-N 3.12Å; E35-G39 WeakPolarHBondContact O-CA 3.33Å; E35-G39 PolarHBondContact O-N 3.28Å; E35-G39 VanDerWaalsContact O-N 3.11Å; E35-Y114 HydrophobicContact CB-CE1 4.46Å; E35-Y114 HydrophobicContact CG-CD1 4.01Å; E35-Y114 HydrophobicContact CG-CE1 3.28Å; E35-K117 IonicContact OE1-NZ 3.57Å; E35-K117 PolarHBondContact OE1-NZ 2.91Å
36S49.3Very low49.5Very low19 Ų1939 Ų3913%0.13319%0.188CC..Hα-helixtrans-83.2-44.5179.172.70000114.1V32 F33 Y34 A40 H79V32-S36 WeakPolarHBondContact O-CB 3.33Å; V32-S36 PolarHBondContact O-N 3.41Å; V32-S36 PolarHBondContact O-OG 2.98Å; F33-S36 CarbonylContact O-C 3.58Å; F33-S36 PolarHBondContact O-N 2.88Å; F33-S36 PolarHBondContact O-OG 2.88Å; Y34-S36 PolarHBondContact O-N 3.44Å; S36-A40 WeakPolarHBondContact O-CB 3.29Å; S36-A40 PolarHBondContact O-N 3.04Å; S36-H79 VanDerWaalsContact CB-ND1 3.31Å; S36-H79 WeakPolarHBondContact CB-ND1 3.19Å; S36-H79 PolarHBondContact OG-CE1 2.99Å; S36-H79 PolarHBondContact OG-ND1 2.91Å
37E50.1Low49.7Very low48 Ų4839.6 Ų39.622%0.22419%0.19CC..Hα-helixtrans-64.4-53.6176.8-89.8-154.3143.100110.9F33 Y34 A40 R41 H79F33-E37 HydrophobicContact CD1-CG 4.49Å; F33-E37 HydrophobicContact CD2-CG 4.39Å; F33-E37 VanDerWaalsContact CE1-CD 3.46Å; F33-E37 HydrophobicContact CE1-CG 4.01Å; F33-E37 WeakPolarHBondContact CE1-OE2 3.49Å; F33-E37 HydrophobicContact CE2-CG 3.9Å; F33-E37 HydrophobicContact CZ-CG 3.7Å; F33-E37 VanDerWaalsContact CZ-OE1 3.3Å; F33-E37 WeakPolarHBondContact CZ-OE1 3.29Å; F33-E37 WeakPolarHBondContact CZ-OE2 3.49Å; F33-E37 PolarHBondContact O-N 2.8Å; Y34-E37 PolarHBondContact O-N 3.49Å; E37-A40 PolarHBondContact O-N 3.24Å; E37-R41 WeakPolarHBondContact O-CB 3.32Å; E37-R41 WeakPolarHBondContact O-CG 3.49Å; E37-R41 PolarHBondContact O-N 2.91Å; E37-H79 VanDerWaalsContact CG-CE1 3.46Å; E37-H79 WeakPolarHBondContact CG-CE1 3.37Å
38Y48.1Very low50Low49 Ų4943.5 Ų43.519%0.19221%0.208CC..Hα-helixtrans-67.6-40.7-179.9-82-84.2000110.6Y34 A40 R41 T42 A115 Y118Y34-Y38 HydrophobicContact CD1-CD2 4.29Å; Y34-Y38 HydrophobicContact CD1-CE2 4.1Å; Y34-Y38 WeakPolarHBondContact O-CB 3.25Å; Y34-Y38 PolarHBondContact O-N 2.97Å; Y38-A40 VanDerWaalsContact C-N 3.34Å; Y38-A40 PolarHBondContact O-N 3.39Å; Y38-R41 PolarHBondContact O-N 2.76Å; Y38-T42 WeakPolarHBondContact O-CB 3.39Å; Y38-T42 PolarHBondContact O-N 2.81Å; Y38-T42 PolarHBondContact O-OG1 2.99Å; Y38-A115 HydrophobicContact CE1-CB 4.04Å; Y38-Y118 AromaticContact CD1-CD2 3.78Å; Y38-Y118 HydrophobicContact CD1-CD2 3.78Å; Y38-Y118 AromaticContact CD1-CG 3.9Å; Y38-Y118 HydrophobicContact CD1-CG 3.9Å
39G46.7Very low50Low26 Ų2641.9 Ų41.927%0.26820%0.204SC..Hα-helixtrans-56.9-46.3174.500000112.4E35 T42 F43E35-G39 WeakPolarHBondContact O-CA 3.33Å; E35-G39 PolarHBondContact O-N 3.28Å; E35-G39 VanDerWaalsContact O-N 3.11Å; G39-T42 PolarHBondContact O-N 2.91Å; G39-F43 WeakPolarHBondContact O-CD2 3.36Å; G39-F43 PolarHBondContact O-N 3.18Å
40A47.6Very low50.1Low12 Ų1241.1 Ų41.110%0.09920%0.198CC..Hα-helixtrans-67.3-42.1178.500000112.5S36 E37 Y38 F43 S44 K76S36-A40 WeakPolarHBondContact O-CB 3.29Å; S36-A40 PolarHBondContact O-N 3.04Å; E37-A40 PolarHBondContact O-N 3.24Å; Y38-A40 VanDerWaalsContact C-N 3.34Å; Y38-A40 PolarHBondContact O-N 3.39Å; A40-F43 PolarHBondContact O-N 2.67Å; A40-S44 PolarHBondContact O-N 2.88Å; A40-K76 HydrophobicContact CB-CG 4.36Å
41R51.6Low50.2Low138 Ų13843.6 Ų43.652%0.52121%0.211SC..Hα-helixtrans-61.8-45.4174.2-74.3-176.2-172.5179.96111.4E37 Y38 F43 S44 D45 Y118E37-R41 WeakPolarHBondContact O-CB 3.32Å; E37-R41 WeakPolarHBondContact O-CG 3.49Å; E37-R41 PolarHBondContact O-N 2.91Å; Y38-R41 PolarHBondContact O-N 2.76Å; R41-F43 VanDerWaalsContact C-N 3.28Å; R41-F43 PolarHBondContact O-N 3.24Å; R41-S44 PolarHBondContact O-N 3.46Å; R41-S44 VanDerWaalsContact O-N 3.07Å; R41-D45 PolarHBondContact O-N 3.18Å; R41-Y118 HydrophobicContact CB-CE2 4.32Å
42T49.8Very low50.2Low5 Ų544 Ų443%0.03122%0.224CC..Hα-helixtrans-53.4-48.5177.5-55.20000111.2Y38 G39 V46 Y118 K122Y38-T42 WeakPolarHBondContact O-CB 3.39Å; Y38-T42 PolarHBondContact O-N 2.81Å; Y38-T42 PolarHBondContact O-OG1 2.99Å; G39-T42 PolarHBondContact O-N 2.91Å; T42-V46 HydrophobicContact CG2-CG2 4.4Å; T42-V46 VanDerWaalsContact O-CB 3.31Å; T42-V46 WeakPolarHBondContact O-CB 3.32Å; T42-V46 WeakPolarHBondContact O-CG2 3.19Å; T42-V46 PolarHBondContact O-N 3.3Å; T42-Y118 WeakPolarHBondContact OG1-CD2 3.46Å; T42-Y118 VanDerWaalsContact OG1-CE2 3.27Å; T42-Y118 WeakPolarHBondContact OG1-CE2 3.43Å; T42-K122 HydrophobicContact CG2-CG 3.72Å
43F45.6Very low50.1Low45 Ų4544.9 Ų44.920%0.19723%0.228CC..Hα-helixtrans-68-38.8-179.2-91.7-83.4000111.7G39 A40 R41 I47 L68 L125G39-F43 WeakPolarHBondContact O-CD2 3.36Å; G39-F43 PolarHBondContact O-N 3.18Å; A40-F43 PolarHBondContact O-N 2.67Å; R41-F43 VanDerWaalsContact C-N 3.28Å; R41-F43 PolarHBondContact O-N 3.24Å; F43-I47 VanDerWaalsContact O-CB 3.25Å; F43-I47 WeakPolarHBondContact O-CB 3.1Å; F43-I47 WeakPolarHBondContact O-CG1 3.3Å; F43-I47 PolarHBondContact O-N 3.14Å; F43-L68 HydrophobicContact CD1-CD2 4.45Å; F43-L68 HydrophobicContact CE1-CD2 3.93Å; F43-L125 HydrophobicContact CE1-CD1 4.26Å; F43-L125 HydrophobicContact CZ-CD1 4.11Å
44S51.4Low50.1Low23 Ų2347 Ų4716%0.16124%0.238CC..Hα-helixtrans-64.8-52176.6-145.60000111.3A40 R41 V46 I47 E48 K76A40-S44 PolarHBondContact O-N 2.88Å; R41-S44 PolarHBondContact O-N 3.46Å; R41-S44 VanDerWaalsContact O-N 3.07Å; S44-V46 VanDerWaalsContact C-N 3.31Å; S44-V46 PolarHBondContact O-N 3.36Å; S44-I47 PolarHBondContact O-N 3.24Å; S44-I47 VanDerWaalsContact O-N 3.14Å; S44-E48 WeakPolarHBondContact O-CB 3.46Å; S44-E48 WeakPolarHBondContact O-CG 3.3Å; S44-E48 PolarHBondContact O-N 3.09Å; S44-E48 PolarHBondContact OG-OE1 3.35Å; S44-K76 PolarHBondContact OG-NZ 3.49Å
45D54.7Low50Low55 Ų5556.2 Ų56.229%0.29428%0.278SS..Hα-helixtrans-62.7-40-176.4-60.3-23.8000111.4R41 T49 Y118R41-D45 PolarHBondContact O-N 3.18Å; D45-T49 WeakPolarHBondContact O-CB 3.17Å; D45-T49 PolarHBondContact O-N 3.42Å; D45-T49 PolarHBondContact O-OG1 3.37Å; D45-Y118 PolarHBondContact OD2-OH 3.32Å
46V50Low49.8Very low4 Ų461.1 Ų61.12%0.02430%0.298CS..Hα-helixtrans-69.1-43.1176.9173.80000110.5T42 S44 E48 T49 I50 K122 L125 F126 W131T42-V46 HydrophobicContact CG2-CG2 4.4Å; T42-V46 VanDerWaalsContact O-CB 3.31Å; T42-V46 WeakPolarHBondContact O-CB 3.32Å; T42-V46 WeakPolarHBondContact O-CG2 3.19Å; T42-V46 PolarHBondContact O-N 3.3Å; S44-V46 VanDerWaalsContact C-N 3.31Å; S44-V46 PolarHBondContact O-N 3.36Å; V46-E48 PolarHBondContact O-N 2.77Å; V46-T49 PolarHBondContact O-N 2.87Å; V46-I50 HydrophobicContact CG1-CD1 3.61Å; V46-I50 HydrophobicContact CG1-CG1 4.18Å; V46-I50 WeakPolarHBondContact O-CB 3.04Å; V46-I50 WeakPolarHBondContact O-CD1 3.19Å; V46-I50 WeakPolarHBondContact O-CG1 3.3Å; V46-I50 PolarHBondContact O-N 2.92Å; V46-K122 HydrophobicContact CG2-CG 4.18Å; V46-L125 HydrophobicContact CB-CD2 4.19Å; V46-L125 HydrophobicContact CG1-CD2 3.44Å; V46-L125 VanDerWaalsContact CG1-CD2 3.44Å; V46-L125 HydrophobicContact CG2-CD2 4.31Å; V46-F126 HydrophobicContact CG2-CZ 4.42Å; V46-W131 HydrophobicContact CG1-CZ3 3.98Å
47I51.9Low49.4Very low15 Ų1561.7 Ų61.78%0.07730%0.302CS..Hα-helixtrans-62.9-42.6176.5-70.4-67.3000111.9F43 S44 I50 Q51 L68 I69F43-I47 VanDerWaalsContact O-CB 3.25Å; F43-I47 WeakPolarHBondContact O-CB 3.1Å; F43-I47 WeakPolarHBondContact O-CG1 3.3Å; F43-I47 PolarHBondContact O-N 3.14Å; S44-I47 PolarHBondContact O-N 3.24Å; S44-I47 VanDerWaalsContact O-N 3.14Å; I47-I50 HydrophobicContact CD1-CD1 4.16Å; I47-I50 PolarHBondContact O-N 3.21Å; I47-Q51 HydrophobicContact CG2-CG 4.37Å; I47-Q51 WeakPolarHBondContact O-CB 3.43Å; I47-Q51 VanDerWaalsContact O-CG 3.27Å; I47-Q51 WeakPolarHBondContact O-CG 3.15Å; I47-Q51 PolarHBondContact O-N 2.69Å; I47-L68 HydrophobicContact CD1-CB 3.61Å; I47-I69 HydrophobicContact CD1-CG1 4.16Å; I47-I69 HydrophobicContact CG2-CG1 4.07Å
48E57.6Low49.2Very low102 Ų10264.8 Ų64.848%0.47733%0.327SS..Hα-helixtrans-63.8-47.6174.3-77.1173.3-154.500110.9S44 V46 I50 Q51 V52S44-E48 WeakPolarHBondContact O-CB 3.46Å; S44-E48 WeakPolarHBondContact O-CG 3.3Å; S44-E48 PolarHBondContact O-N 3.09Å; S44-E48 PolarHBondContact OG-OE1 3.35Å; V46-E48 PolarHBondContact O-N 2.77Å; E48-I50 VanDerWaalsContact C-N 3.27Å; E48-I50 PolarHBondContact O-N 3.18Å; E48-Q51 PolarHBondContact O-N 3.38Å; E48-Q51 VanDerWaalsContact O-N 3.1Å; E48-V52 WeakPolarHBondContact O-CB 3.37Å; E48-V52 VanDerWaalsContact O-CG2 3.25Å; E48-V52 WeakPolarHBondContact O-CG2 3.4Å; E48-V52 PolarHBondContact O-N 3.34Å
49T52.3Low48.9Very low47 Ų4768.9 Ų68.929%0.28835%0.351SS..Hα-helixtrans-58-41.7177.1-610000111.2D45 V46 N53D45-T49 WeakPolarHBondContact O-CB 3.17Å; D45-T49 PolarHBondContact O-N 3.42Å; D45-T49 PolarHBondContact O-OG1 3.37Å; V46-T49 PolarHBondContact O-N 2.87Å; T49-N53 VanDerWaalsContact CG2-ND2 3.32Å; T49-N53 WeakPolarHBondContact CG2-ND2 2.74Å; T49-N53 WeakPolarHBondContact O-CB 3.4Å; T49-N53 VanDerWaalsContact O-CG 3.26Å; T49-N53 PolarHBondContact O-N 2.96Å; T49-N53 PolarHBondContact O-ND2 2.85Å
50I49.5Very low48.7Very low8 Ų867.8 Ų67.84%0.04134%0.339CS..Hα-helixtrans-66.1-47.5174.5-68.5157.6000110.9V46 I47 E48 V52 N53 K54 V60 F65 W131V46-I50 HydrophobicContact CG1-CD1 3.61Å; V46-I50 HydrophobicContact CG1-CG1 4.18Å; V46-I50 WeakPolarHBondContact O-CB 3.04Å; V46-I50 WeakPolarHBondContact O-CD1 3.19Å; V46-I50 WeakPolarHBondContact O-CG1 3.3Å; V46-I50 PolarHBondContact O-N 2.92Å; I47-I50 HydrophobicContact CD1-CD1 4.16Å; I47-I50 PolarHBondContact O-N 3.21Å; E48-I50 VanDerWaalsContact C-N 3.27Å; E48-I50 PolarHBondContact O-N 3.18Å; I50-V52 VanDerWaalsContact C-N 3.27Å; I50-V52 PolarHBondContact O-N 3.02Å; I50-N53 CarbonylContact O-C 3.42Å; I50-N53 PolarHBondContact O-N 3.21Å; I50-N53 VanDerWaalsContact O-N 3.16Å; I50-K54 PolarHBondContact O-N 2.86Å; I50-V60 HydrophobicContact CG2-CG1 3.87Å; I50-F65 HydrophobicContact CB-CE1 4.29Å; I50-F65 HydrophobicContact CD1-CD1 3.98Å; I50-F65 HydrophobicContact CD1-CE1 3.79Å; I50-F65 HydrophobicContact CG1-CE1 4.23Å; I50-F65 HydrophobicContact CG2-CD1 3.59Å; I50-F65 HydrophobicContact CG2-CD2 3.99Å; I50-F65 HydrophobicContact CG2-CE1 3.18Å; I50-F65 HydrophobicContact CG2-CE2 3.58Å; I50-F65 HydrophobicContact CG2-CG 3.99Å; I50-F65 HydrophobicContact CG2-CZ 3.15Å; I50-W131 HydrophobicContact CD1-CE3 4.48Å; I50-W131 HydrophobicContact CD1-CH2 3.13Å; I50-W131 HydrophobicContact CD1-CZ2 4.22Å; I50-W131 HydrophobicContact CD1-CZ3 3.3Å; I50-W131 HydrophobicContact CG1-CE3 4.29Å; I50-W131 HydrophobicContact CG1-CH2 3.51Å; I50-W131 HydrophobicContact CG1-CZ2 4.31Å; I50-W131 HydrophobicContact CG1-CZ3 3.48Å; I50-W131 VanDerWaalsContact CG1-CZ3 3.48Å
51Q51.3Low48.5Very low99 Ų9971.9 Ų71.946%0.46336%0.363SS..Hα-helixtrans-61.8-39-178.1-80179.1-16.900111.1I47 E48I47-Q51 HydrophobicContact CG2-CG 4.37Å; I47-Q51 WeakPolarHBondContact O-CB 3.43Å; I47-Q51 VanDerWaalsContact O-CG 3.27Å; I47-Q51 WeakPolarHBondContact O-CG 3.15Å; I47-Q51 PolarHBondContact O-N 2.69Å; E48-Q51 PolarHBondContact O-N 3.38Å; E48-Q51 VanDerWaalsContact O-N 3.1Å
52V51.2Low48.2Very low101 Ų10172.9 Ų72.961%0.61238%0.378SS*.Hα-helixtrans-68.8-41.9173.3175.40000110.9E48 I50E48-V52 WeakPolarHBondContact O-CB 3.37Å; E48-V52 VanDerWaalsContact O-CG2 3.25Å; E48-V52 WeakPolarHBondContact O-CG2 3.4Å; E48-V52 PolarHBondContact O-N 3.34Å; I50-V52 VanDerWaalsContact C-N 3.27Å; I50-V52 PolarHBondContact O-N 3.02Å
53N47.4Very low48Very low33 Ų3377.8 Ų77.818%0.17640%0.397CS..Hα-helixtrans-85-5-178.6-72.4-43.4000115.2T49 I50 F55 K56 S57T49-N53 VanDerWaalsContact CG2-ND2 3.32Å; T49-N53 WeakPolarHBondContact CG2-ND2 2.74Å; T49-N53 WeakPolarHBondContact O-CB 3.4Å; T49-N53 VanDerWaalsContact O-CG 3.26Å; T49-N53 PolarHBondContact O-N 2.96Å; T49-N53 PolarHBondContact O-ND2 2.85Å; I50-N53 CarbonylContact O-C 3.42Å; I50-N53 PolarHBondContact O-N 3.21Å; I50-N53 VanDerWaalsContact O-N 3.16Å; N53-F55 PolarHBondContact O-N 3.3Å; N53-K56 PolarHBondContact O-N 2.87Å; N53-S57 PolarHBondContact O-N 3.41Å
54K47.2Very low48.1Very low88 Ų8879.3 Ų79.338%0.38341%0.413SS..THydrogen-bonded Turntrans-51.5-30.3173.1-105.8-171.9174.8-167.20111.7I50 V60 F65I50-K54 PolarHBondContact O-N 2.86Å; K54-V60 HydrophobicContact CB-CG1 4.31Å; K54-V60 HydrophobicContact CG-CG1 3.54Å; K54-F65 HydrophobicContact CD-CD2 4.49Å; K54-F65 HydrophobicContact CD-CE2 4.37Å; K54-F65 HydrophobicContact CG-CE2 4.24Å
55F46.6Very low48Very low196 Ų19678.6 Ų78.686%0.8641%0.407SS*.THydrogen-bonded Turntrans-83.6-6.8178.6-67.5-76.8000114.7N53N53-F55 PolarHBondContact O-N 3.3Å
56K46.7Very low47.9Very low171 Ų17179.4 Ų79.474%0.74341%0.414SS*.THydrogen-bonded Turntrans-114.5-17.6-173.5-67.9-170.7179.6-179.40115.5N53N53-K56 PolarHBondContact O-N 2.87Å
57S40.5Very low47.8Very low30 Ų3086.7 Ų86.721%0.2145%0.448CS..  trans-129.8122.7-178.8-1790000112.6N53 L59 V60N53-S57 PolarHBondContact O-N 3.41Å; S57-L59 PolarHBondContact O-N 2.96Å; S57-L59 VanDerWaalsContact O-N 3.14Å; S57-V60 PolarHBondContact O-N 3.48Å
58P46.1Very low47.6Very low114 Ų11486.6 Ų86.674%0.7445%0.448SS*.Hα-helixtrans-59.1-25.31779.2-13.5000113.1V60 V61P58-V60 PolarHBondContact O-N 2.81Å; P58-V61 PolarHBondContact O-N 3.43Å
59L41.7Very low47.2Very low134 Ų13484.4 Ų84.470%0.70244%0.438SS*.Hα-helixtrans-64.7-24.3175.9-77.2158.9000113.3S57S57-L59 PolarHBondContact O-N 2.96Å; S57-L59 VanDerWaalsContact O-N 3.14Å
60V41.9Very low47.3Very low3 Ų388.4 Ų88.42%0.01845%0.452CS..Hα-helixtrans-87.1-24.4-176.3-173.60000111.3I50 K54 S57 P58 N62 Y63 F65 I134I50-V60 HydrophobicContact CG2-CG1 3.87Å; K54-V60 HydrophobicContact CB-CG1 4.31Å; K54-V60 HydrophobicContact CG-CG1 3.54Å; S57-V60 PolarHBondContact O-N 3.48Å; P58-V60 PolarHBondContact O-N 2.81Å; V60-N62 VanDerWaalsContact C-N 3.27Å; V60-N62 PolarHBondContact O-N 3.35Å; V60-Y63 PolarHBondContact O-N 3.28Å; V60-F65 HydrophobicContact CG1-CE2 3.72Å; V60-F65 HydrophobicContact CG1-CZ 3.51Å; V60-I134 HydrophobicContact CG2-CD1 4.24Å
61V43.7Very low47.1Very low99 Ų9990.4 Ų90.460%0.647%0.466SS*.Hα-helixtrans-64.5-31.4-171.4-168.90000112.2P58P58-V61 PolarHBondContact O-N 3.43Å
62N45.8Very low46.9Very low158 Ų15886 Ų8685%0.84545%0.446SS*.THydrogen-bonded Turntrans-90.1-0.4-178.8-82.4-10.9000115V60V60-N62 VanDerWaalsContact C-N 3.27Å; V60-N62 PolarHBondContact O-N 3.35Å
63Y44.1Very low47.1Very low109 Ų10984.8 Ų84.843%0.42744%0.436SS..  trans-92.9123.4-177.9-134.4-91.4000111.9V60 F65 F129V60-Y63 PolarHBondContact O-N 3.28Å; Y63-F65 HydrophobicContact CD1-CE1 4.25Å; Y63-F65 HydrophobicContact CG-CZ 4.44Å; Y63-F65 WeakPolarHBondContact O-CD2 2.98Å; Y63-F65 WeakPolarHBondContact O-CE2 3.44Å; Y63-F65 PolarHBondContact O-N 2.77Å; Y63-F65 VanDerWaalsContact O-N 3.12Å; Y63-F129 AromaticContact CE1-CD1 3.86Å; Y63-F129 HydrophobicContact CE1-CD1 3.86Å; Y63-F129 AromaticContact CE1-CE1 3.72Å; Y63-F129 HydrophobicContact CE1-CE1 3.72Å; Y63-F129 HydrophobicContact CE2-CD1 4.45Å; Y63-F129 AromaticContact CZ-CD1 3.71Å; Y63-F129 AromaticContact CZ-CE1 3.82Å; Y63-F129 WeakPolarHBondContact OH-CE1 3.13Å
64S49.6Very low47.4Very low77 Ų7789.8 Ų89.854%0.53846%0.457SS..  trans-75.799.5168.6-178.50000109.1T66S64-T66 PolarHBondContact O-N 3.41Å; S64-T66 VanDerWaalsContact O-N 3.14Å; S64-T66 WeakPolarHBondContact OG-CB 3.43Å; S64-T66 PolarHBondContact OG-OG1 2.83Å
65F48.4Very low47.5Very low7 Ų789.6 Ų89.63%0.03146%0.457CS..THydrogen-bonded Turntrans-70.3-2174.3-62.9-74.3000113.4I50 K54 V60 Y63 E67 L68 I69 W131I50-F65 HydrophobicContact CB-CE1 4.29Å; I50-F65 HydrophobicContact CD1-CD1 3.98Å; I50-F65 HydrophobicContact CD1-CE1 3.79Å; I50-F65 HydrophobicContact CG1-CE1 4.23Å; I50-F65 HydrophobicContact CG2-CD1 3.59Å; I50-F65 HydrophobicContact CG2-CD2 3.99Å; I50-F65 HydrophobicContact CG2-CE1 3.18Å; I50-F65 HydrophobicContact CG2-CE2 3.58Å; I50-F65 HydrophobicContact CG2-CG 3.99Å; I50-F65 HydrophobicContact CG2-CZ 3.15Å; K54-F65 HydrophobicContact CD-CD2 4.49Å; K54-F65 HydrophobicContact CD-CE2 4.37Å; K54-F65 HydrophobicContact CG-CE2 4.24Å; V60-F65 HydrophobicContact CG1-CE2 3.72Å; V60-F65 HydrophobicContact CG1-CZ 3.51Å; Y63-F65 HydrophobicContact CD1-CE1 4.25Å; Y63-F65 HydrophobicContact CG-CZ 4.44Å; Y63-F65 WeakPolarHBondContact O-CD2 2.98Å; Y63-F65 WeakPolarHBondContact O-CE2 3.44Å; Y63-F65 PolarHBondContact O-N 2.77Å; Y63-F65 VanDerWaalsContact O-N 3.12Å; F65-E67 VanDerWaalsContact C-N 3.26Å; F65-E67 PolarHBondContact O-N 3.47Å; F65-L68 HydrophobicContact CD1-CD1 3.71Å; F65-L68 HydrophobicContact CE1-CD1 4.16Å; F65-L68 WeakPolarHBondContact O-CB 3.35Å; F65-L68 PolarHBondContact O-N 3.28Å; F65-L68 VanDerWaalsContact O-N 3.1Å; F65-I69 HydrophobicContact CB-CD1 4.12Å; F65-I69 HydrophobicContact CB-CG1 4.42Å; F65-I69 WeakPolarHBondContact O-CB 3.41Å; F65-I69 VanDerWaalsContact O-CG1 3.28Å; F65-I69 WeakPolarHBondContact O-CG1 3.33Å; F65-I69 PolarHBondContact O-N 3.29Å; F65-W131 AromaticContact CE1-CH2 3.79Å; F65-W131 HydrophobicContact CE1-CH2 3.79Å; F65-W131 AromaticContact CE1-CZ2 3.76Å; F65-W131 HydrophobicContact CE1-CZ2 3.76Å; F65-W131 HydrophobicContact CZ-CZ2 4.21Å
66T51.6Low47.7Very low72 Ų7284.1 Ų84.144%0.44243%0.433SS..Hα-helixtrans-54.2-42.1-178.6-51.50000112.1S64 K70S64-T66 PolarHBondContact O-N 3.41Å; S64-T66 VanDerWaalsContact O-N 3.14Å; S64-T66 WeakPolarHBondContact OG-CB 3.43Å; S64-T66 PolarHBondContact OG-OG1 2.83Å; T66-K70 HydrophobicContact CG2-CD 4.25Å; T66-K70 WeakPolarHBondContact O-CB 3.25Å; T66-K70 VanDerWaalsContact O-CG 3.24Å; T66-K70 WeakPolarHBondContact O-CG 3.33Å; T66-K70 PolarHBondContact O-N 3.19Å
67E49.7Very low48.2Very low157 Ų15783.2 Ų83.273%0.73443%0.429SS*.Hα-helixtrans-70.4-40.6178.4-65.2-167.2145.700112.5F65 K70 C71F65-E67 VanDerWaalsContact C-N 3.26Å; F65-E67 PolarHBondContact O-N 3.47Å; E67-K70 PolarHBondContact O-N 2.93Å; E67-C71 VanDerWaalsContact O-CB 3.3Å; E67-C71 WeakPolarHBondContact O-CB 3.34Å; E67-C71 PolarHBondContact O-N 2.81Å
68L46.3Very low48.7Very low14 Ų1489 Ų897%0.07345%0.446CS..Hα-helixtrans-63.5-44.5176.2-87.4161000111.7F43 I47 F65 C71 S72 F129F43-L68 HydrophobicContact CD1-CD2 4.45Å; F43-L68 HydrophobicContact CE1-CD2 3.93Å; I47-L68 HydrophobicContact CD1-CB 3.61Å; F65-L68 HydrophobicContact CD1-CD1 3.71Å; F65-L68 HydrophobicContact CE1-CD1 4.16Å; F65-L68 WeakPolarHBondContact O-CB 3.35Å; F65-L68 PolarHBondContact O-N 3.28Å; F65-L68 VanDerWaalsContact O-N 3.1Å; L68-C71 WeakPolarHBondContact O-CB 3.35Å; L68-C71 PolarHBondContact O-N 2.83Å; L68-S72 WeakPolarHBondContact O-CB 3.46Å; L68-S72 PolarHBondContact O-N 3.46Å; L68-F129 HydrophobicContact CD1-CE1 4.07Å; L68-F129 HydrophobicContact CD1-CE2 4.14Å; L68-F129 HydrophobicContact CD1-CZ 3.79Å; L68-F129 HydrophobicContact CD2-CE2 3.83Å; L68-F129 HydrophobicContact CD2-CZ 3.75Å; L68-F129 HydrophobicContact CG-CE2 4.43Å; L68-F129 HydrophobicContact CG-CZ 3.96Å
69I50.4Low48.9Very low55 Ų5585.1 Ų85.128%0.28242%0.418SS..Hα-helixtrans-63.1-48.9176-66166.4000109.8I47 F65 C71 S72 D73I47-I69 HydrophobicContact CD1-CG1 4.16Å; I47-I69 HydrophobicContact CG2-CG1 4.07Å; F65-I69 HydrophobicContact CB-CD1 4.12Å; F65-I69 HydrophobicContact CB-CG1 4.42Å; F65-I69 WeakPolarHBondContact O-CB 3.41Å; F65-I69 VanDerWaalsContact O-CG1 3.28Å; F65-I69 WeakPolarHBondContact O-CG1 3.33Å; F65-I69 PolarHBondContact O-N 3.29Å; I69-C71 VanDerWaalsContact C-N 3.27Å; I69-C71 PolarHBondContact O-N 2.77Å; I69-S72 CarbonylContact O-C 3.59Å; I69-S72 WeakPolarHBondContact O-CA 3.44Å; I69-S72 WeakPolarHBondContact O-CB 3.25Å; I69-S72 PolarHBondContact O-N 3.49Å; I69-S72 VanDerWaalsContact O-N 3.09Å; I69-D73 PolarHBondContact O-N 3.06Å
70K53.6Low49.3Very low131 Ų13184 Ų8457%0.5741%0.409SS*.Hα-helixtrans-59.2-37.8176.1-77.2176.2-179.3178.50112.5T66 E67 K74T66-K70 HydrophobicContact CG2-CD 4.25Å; T66-K70 WeakPolarHBondContact O-CB 3.25Å; T66-K70 VanDerWaalsContact O-CG 3.24Å; T66-K70 WeakPolarHBondContact O-CG 3.33Å; T66-K70 PolarHBondContact O-N 3.19Å; E67-K70 PolarHBondContact O-N 2.93Å; K70-K74 WeakPolarHBondContact O-CB 3.46Å; K70-K74 WeakPolarHBondContact O-CG 3.31Å; K70-K74 PolarHBondContact O-N 3.37Å; K70-K74 VanDerWaalsContact O-N 3.09Å
71C45.5Very low49.7Very low51 Ų5189 Ų8935%0.34543%0.434SS..Hα-helixtrans-63.7-49.4174.3-170.10000110.4E67 L68 I69 D73 K74 Q75E67-C71 VanDerWaalsContact O-CB 3.3Å; E67-C71 WeakPolarHBondContact O-CB 3.34Å; E67-C71 PolarHBondContact O-N 2.81Å; L68-C71 WeakPolarHBondContact O-CB 3.35Å; L68-C71 PolarHBondContact O-N 2.83Å; I69-C71 VanDerWaalsContact C-N 3.27Å; I69-C71 PolarHBondContact O-N 2.77Å; C71-D73 PolarHBondContact O-N 3.09Å; C71-K74 PolarHBondContact O-N 3.21Å; C71-Q75 WeakPolarHBondContact O-CG 3.3Å; C71-Q75 PolarHBondContact O-N 2.81Å
72S48Very low49.9Very low5 Ų589.6 Ų89.64%0.03543%0.426CS..Hα-helixtrans-55.6-49.9176.4-175.40000112L68 I69 K74 Q75 K76L68-S72 WeakPolarHBondContact O-CB 3.46Å; L68-S72 PolarHBondContact O-N 3.46Å; I69-S72 CarbonylContact O-C 3.59Å; I69-S72 WeakPolarHBondContact O-CA 3.44Å; I69-S72 WeakPolarHBondContact O-CB 3.25Å; I69-S72 PolarHBondContact O-N 3.49Å; I69-S72 VanDerWaalsContact O-N 3.09Å; S72-K74 PolarHBondContact O-N 3.16Å; S72-Q75 CarbonylContact O-C 3.59Å; S72-Q75 WeakPolarHBondContact O-CB 3.4Å; S72-Q75 PolarHBondContact O-N 2.97Å; S72-Q75 VanDerWaalsContact O-N 3.09Å; S72-K76 PolarHBondContact O-N 3.36Å
73D54.7Low49.9Very low76 Ų7683.4 Ų83.441%0.40640%0.397SS..Hα-helixtrans-64.3-38.5-179.5-69.3-21.8000112.4I69 C71 Q75 K76 K77I69-D73 PolarHBondContact O-N 3.06Å; C71-D73 PolarHBondContact O-N 3.09Å; D73-Q75 VanDerWaalsContact C-N 3.33Å; D73-K76 PolarHBondContact O-N 3.44Å; D73-K77 WeakPolarHBondContact O-CB 3.17Å; D73-K77 WeakPolarHBondContact O-CG 3.17Å; D73-K77 PolarHBondContact O-N 2.78Å
74K53.6Low50Low139 Ų13983.5 Ų83.560%0.60441%0.405SS*.Hα-helixtrans-63.8-39.7173.4-79.7179.9179.5-179.80111.5K70 C71 S72 R78K70-K74 WeakPolarHBondContact O-CB 3.46Å; K70-K74 WeakPolarHBondContact O-CG 3.31Å; K70-K74 PolarHBondContact O-N 3.37Å; K70-K74 VanDerWaalsContact O-N 3.09Å; C71-K74 PolarHBondContact O-N 3.21Å; S72-K74 PolarHBondContact O-N 3.16Å; K74-R78 WeakPolarHBondContact O-CG 3.34Å; K74-R78 PolarHBondContact O-N 2.76Å; K74-R78 VanDerWaalsContact O-N 3.07Å
75Q48.2Very low49.8Very low83 Ų8385.3 Ų85.339%0.38841%0.407SS..Hα-helixtrans-67.4-45.2175.6-65.9-63.9-18.900111.1C71 S72 D73 K77 R78 H79C71-Q75 WeakPolarHBondContact O-CG 3.3Å; C71-Q75 PolarHBondContact O-N 2.81Å; S72-Q75 CarbonylContact O-C 3.59Å; S72-Q75 WeakPolarHBondContact O-CB 3.4Å; S72-Q75 PolarHBondContact O-N 2.97Å; S72-Q75 VanDerWaalsContact O-N 3.09Å; D73-Q75 VanDerWaalsContact C-N 3.33Å; Q75-K77 PolarHBondContact O-N 3.45Å; Q75-R78 PolarHBondContact O-N 3.13Å; Q75-H79 WeakPolarHBondContact O-CB 3.39Å; Q75-H79 PolarHBondContact O-N 2.9Å
76K52.1Low49.7Very low82 Ų8287.1 Ų87.136%0.35741%0.414SS..Hα-helixtrans-57.9-45.8174.6-75.2-178.2178.8-178.20112.1A40 S44 S72 D73 H79 Q80A40-K76 HydrophobicContact CB-CG 4.36Å; S44-K76 PolarHBondContact OG-NZ 3.49Å; S72-K76 PolarHBondContact O-N 3.36Å; D73-K76 PolarHBondContact O-N 3.44Å; K76-H79 CarbonylContact O-C 3.56Å; K76-H79 WeakPolarHBondContact O-CA 3.39Å; K76-H79 WeakPolarHBondContact O-CB 3.47Å; K76-H79 PolarHBondContact O-N 2.83Å; K76-H79 VanDerWaalsContact O-N 3.14Å; K76-Q80 PolarHBondContact O-N 2.93Å
77K56.4Low49.5Very low152 Ų15289 Ų8966%0.66142%0.421SS*.Hα-helixtrans-63.3-44.4176.5-76.5-175.3-179.4-174.60112.6D73 Q75 H79 Q80 I81D73-K77 WeakPolarHBondContact O-CB 3.17Å; D73-K77 WeakPolarHBondContact O-CG 3.17Å; D73-K77 PolarHBondContact O-N 2.78Å; Q75-K77 PolarHBondContact O-N 3.45Å; K77-H79 PolarHBondContact O-N 2.9Å; K77-Q80 PolarHBondContact O-N 3.17Å; K77-I81 WeakPolarHBondContact O-CG1 3.29Å; K77-I81 PolarHBondContact O-N 2.85Å; K77-I81 VanDerWaalsContact O-N 3.09Å
78R50.7Low49.5Very low151 Ų15183.2 Ų83.257%0.5740%0.403SS*.Hα-helixtrans-61.8-34.3173.6-73.2-180-166-159.73.1111.5K74 Q75 R82K74-R78 WeakPolarHBondContact O-CG 3.34Å; K74-R78 PolarHBondContact O-N 2.76Å; K74-R78 VanDerWaalsContact O-N 3.07Å; Q75-R78 PolarHBondContact O-N 3.13Å; R78-R82 VanDerWaalsContact O-CB 3.3Å; R78-R82 WeakPolarHBondContact O-CB 3.39Å; R78-R82 VanDerWaalsContact O-CG 3.25Å; R78-R82 WeakPolarHBondContact O-CG 3.41Å; R78-R82 PolarHBondContact O-N 2.71Å; R78-R82 VanDerWaalsContact O-N 3.13Å
79H50.5Low49.6Very low32 Ų3286 Ų8615%0.14842%0.424CS..Hα-helixtrans-67.7-51.5175.5178.470000111.4S36 E37 Q75 K76 K77 I81 R82 A83S36-H79 VanDerWaalsContact CB-ND1 3.31Å; S36-H79 WeakPolarHBondContact CB-ND1 3.19Å; S36-H79 PolarHBondContact OG-CE1 2.99Å; S36-H79 PolarHBondContact OG-ND1 2.91Å; E37-H79 VanDerWaalsContact CG-CE1 3.46Å; E37-H79 WeakPolarHBondContact CG-CE1 3.37Å; Q75-H79 WeakPolarHBondContact O-CB 3.39Å; Q75-H79 PolarHBondContact O-N 2.9Å; K76-H79 CarbonylContact O-C 3.56Å; K76-H79 WeakPolarHBondContact O-CA 3.39Å; K76-H79 WeakPolarHBondContact O-CB 3.47Å; K76-H79 PolarHBondContact O-N 2.83Å; K76-H79 VanDerWaalsContact O-N 3.14Å; K77-H79 PolarHBondContact O-N 2.9Å; H79-I81 VanDerWaalsContact C-N 3.35Å; H79-I81 PolarHBondContact O-N 3.28Å; H79-R82 CarbonylContact O-C 3.6Å; H79-R82 WeakPolarHBondContact O-CA 3.11Å; H79-R82 PolarHBondContact O-N 3.43Å; H79-A83 WeakPolarHBondContact O-CB 3.43Å; H79-A83 PolarHBondContact O-N 3.34Å
80Q50.8Low49.6Very low111 Ų11189.1 Ų89.152%0.51944%0.439SS..Hα-helixtrans-54.9-50.6178.7-163.47441.800110.9K76 K77 R82 A83 D84K76-Q80 PolarHBondContact O-N 2.93Å; K77-Q80 PolarHBondContact O-N 3.17Å; Q80-R82 PolarHBondContact O-N 3.21Å; Q80-A83 PolarHBondContact O-N 3.11Å; Q80-A83 VanDerWaalsContact O-N 3.16Å; Q80-D84 PolarHBondContact NE2-OD1 3.44Å; Q80-D84 WeakPolarHBondContact O-CB 3.47Å; Q80-D84 PolarHBondContact O-N 3.39Å
81I50.3Low49.3Very low107 Ų10783.7 Ų83.755%0.54942%0.417SS..Hα-helixtrans-57.5-39176.8-65.1167.6000111.1K77 H79 I85K77-I81 WeakPolarHBondContact O-CG1 3.29Å; K77-I81 PolarHBondContact O-N 2.85Å; K77-I81 VanDerWaalsContact O-N 3.09Å; H79-I81 VanDerWaalsContact C-N 3.35Å; H79-I81 PolarHBondContact O-N 3.28Å; I81-I85 HydrophobicContact CG2-CD1 4.19Å; I81-I85 VanDerWaalsContact O-CD1 3.25Å; I81-I85 WeakPolarHBondContact O-CD1 3.5Å; I81-I85 WeakPolarHBondContact O-CG1 3.33Å; I81-I85 PolarHBondContact O-N 2.78Å
82R47.3Very low49.6Very low113 Ų11382.9 Ų82.943%0.42641%0.407SS..Hα-helixtrans-78.6-31.5179.3-79.3178180-1722.2113.6R78 H79 Q80 R86R78-R82 VanDerWaalsContact O-CB 3.3Å; R78-R82 WeakPolarHBondContact O-CB 3.39Å; R78-R82 VanDerWaalsContact O-CG 3.25Å; R78-R82 WeakPolarHBondContact O-CG 3.41Å; R78-R82 PolarHBondContact O-N 2.71Å; R78-R82 VanDerWaalsContact O-N 3.13Å; H79-R82 CarbonylContact O-C 3.6Å; H79-R82 WeakPolarHBondContact O-CA 3.11Å; H79-R82 PolarHBondContact O-N 3.43Å; Q80-R82 PolarHBondContact O-N 3.21Å; R82-R86 VanDerWaalsContact O-CB 3.3Å; R82-R86 WeakPolarHBondContact O-CB 2.97Å; R82-R86 WeakPolarHBondContact O-CD 3.47Å; R82-R86 WeakPolarHBondContact O-CG 3.27Å; R82-R86 PolarHBondContact O-N 3.24Å; R82-R86 PolarHBondContact O-NE 2.95Å
83A46.2Very low49.9Very low27 Ų2787.6 Ų87.622%0.22344%0.435CS..Hα-helixtrans-72.8-42.2178.100000109.9H79 Q80 I85 R86H79-A83 WeakPolarHBondContact O-CB 3.43Å; H79-A83 PolarHBondContact O-N 3.34Å; Q80-A83 PolarHBondContact O-N 3.11Å; Q80-A83 VanDerWaalsContact O-N 3.16Å; A83-I85 VanDerWaalsContact C-N 3.26Å; A83-I85 PolarHBondContact O-N 2.77Å; A83-R86 CarbonylContact O-C 3.45Å; A83-R86 WeakPolarHBondContact O-CA 3.42Å; A83-R86 PolarHBondContact O-N 3.37Å
84D45.4Very low50.1Low112 Ų11290.3 Ų90.360%0.59945%0.45SS*.Hα-helixtrans-60.7-37.2174.1-63.1-15.6000111Q80 R86Q80-D84 PolarHBondContact NE2-OD1 3.44Å; Q80-D84 WeakPolarHBondContact O-CB 3.47Å; Q80-D84 PolarHBondContact O-N 3.39Å; D84-R86 VanDerWaalsContact C-N 3.26Å; D84-R86 PolarHBondContact O-N 2.76Å
85I45.5Very low50.2Low114 Ų11484.2 Ų84.259%0.58542%0.424SS*.Hα-helixtrans-69.1-23.4172-67.4166.4000112.1I81 A83I81-I85 HydrophobicContact CG2-CD1 4.19Å; I81-I85 VanDerWaalsContact O-CD1 3.25Å; I81-I85 WeakPolarHBondContact O-CD1 3.5Å; I81-I85 WeakPolarHBondContact O-CG1 3.33Å; I81-I85 PolarHBondContact O-N 2.78Å; A83-I85 VanDerWaalsContact C-N 3.26Å; A83-I85 PolarHBondContact O-N 2.77Å
86R47.2Very low50.9Low46 Ų4682.4 Ų82.417%0.17442%0.42CS..  trans-11656.7-170.9-66.4169.8-143-115.4-10.4111.9C29 V32 R82 A83 D84 G88C29-R86 PolarHBondContact O-NH1 2.74Å; V32-R86 VanDerWaalsContact CG1-CZ 3.48Å; V32-R86 VanDerWaalsContact CG1-NH1 3.28Å; R82-R86 VanDerWaalsContact O-CB 3.3Å; R82-R86 WeakPolarHBondContact O-CB 2.97Å; R82-R86 WeakPolarHBondContact O-CD 3.47Å; R82-R86 WeakPolarHBondContact O-CG 3.27Å; R82-R86 PolarHBondContact O-N 3.24Å; R82-R86 PolarHBondContact O-NE 2.95Å; A83-R86 CarbonylContact O-C 3.45Å; A83-R86 WeakPolarHBondContact O-CA 3.42Å; A83-R86 PolarHBondContact O-N 3.37Å; D84-R86 VanDerWaalsContact C-N 3.26Å; D84-R86 PolarHBondContact O-N 2.76Å; R86-G88 PolarHBondContact O-N 3.39Å
87N47.7Very low51.5Low111 Ų11183.7 Ų83.759%0.59444%0.436SS*.  trans-50.7116.5159.8-152.6-2.2000106.8S89 M90N87-S89 PolarHBondContact O-N 3.46Å; N87-M90 WeakPolarHBondContact O-CB 2.83Å; N87-M90 PolarHBondContact O-N 3.14Å
88G49Very low51.9Low35 Ų3582.8 Ų82.836%0.36143%0.434SS..THydrogen-bonded Turntrans-57.6-19.8-162.700000114.1R86 Y92R86-G88 PolarHBondContact O-N 3.39Å; G88-Y92 WeakPolarHBondContact O-CD2 3.38Å; G88-Y92 VanDerWaalsContact O-CE2 3.27Å; G88-Y92 WeakPolarHBondContact O-CE2 3.49Å
89S49.4Very low52.4Low72 Ų7276.5 Ų76.550%0.50341%0.411SS..THydrogen-bonded Turntrans-65.7-35.7170.853.30000113.8N87 C91 Y92 V93N87-S89 PolarHBondContact O-N 3.46Å; S89-C91 VanDerWaalsContact C-N 3.27Å; S89-C91 PolarHBondContact O-N 2.99Å; S89-Y92 PolarHBondContact O-N 3.47Å; S89-V93 PolarHBondContact O-N 2.87Å
90M48.8Very low52.8Low122 Ų12277.1 Ų77.160%0.60142%0.415SS*.G310 helixtrans-63.6-30.9179.7-77.9-130.6-104.700112.6N87 Y92 V93N87-M90 WeakPolarHBondContact O-CB 2.83Å; N87-M90 PolarHBondContact O-N 3.14Å; M90-Y92 PolarHBondContact O-N 2.8Å; M90-Y92 VanDerWaalsContact O-N 3.1Å; M90-V93 PolarHBondContact O-N 3.29Å
91C48.2Very low53.2Low16 Ų1677.2 Ų77.211%0.10842%0.415CS..G310 helixtrans-64.3-16176.2-50.40000111.9A26 C29 S89A26-C91 WeakPolarHBondContact CB-O 3.25Å; C29-C91 HydrophobicContact CB-CB 3.92Å; C29-C91 WeakPolarHBondContact CB-SG 3.4Å; C29-C91 WeakPolarHBondContact SG-CB 3.49Å; C29-C91 CovalentContact SG-SG 2.08Å; C29-C91 PolarHBondContact SG-SG 3.42Å; S89-C91 VanDerWaalsContact C-N 3.27Å; S89-C91 PolarHBondContact O-N 2.99Å
92Y50.7Low53.7Low34 Ų3475.1 Ų75.113%0.13340%0.403CS..G310 helixtrans-114.53.6-178.8-53.3-76.6000114.4R30 G88 S89 M90 N94 V95 I103 N107R30-Y92 PolarHBondContact NE-OH 2.82Å; G88-Y92 WeakPolarHBondContact O-CD2 3.38Å; G88-Y92 VanDerWaalsContact O-CE2 3.27Å; G88-Y92 WeakPolarHBondContact O-CE2 3.49Å; S89-Y92 PolarHBondContact O-N 3.47Å; M90-Y92 PolarHBondContact O-N 2.8Å; M90-Y92 VanDerWaalsContact O-N 3.1Å; Y92-N94 PolarHBondContact O-N 3.07Å; Y92-V95 HydrophobicContact CD1-CG2 4.41Å; Y92-V95 PolarHBondContact O-N 2.83Å; Y92-I103 HydrophobicContact CE1-CB 4.24Å; Y92-I103 HydrophobicContact CE1-CG2 3.72Å; Y92-N107 PolarHBondContact OH-ND2 2.82Å
93V55.9Low54.1Low105 Ų10570 Ų7064%0.63638%0.384SS*.THydrogen-bonded Turntrans-53.9-33.5-174.8152.10000112.8S89 M90S89-V93 PolarHBondContact O-N 2.87Å; M90-V93 PolarHBondContact O-N 3.29Å
94N58.4Low54.7Low132 Ų13273.3 Ų73.371%0.70640%0.395SS*.THydrogen-bonded Turntrans-101.98.9179.4-61.9-33.5000113.8Y92Y92-N94 PolarHBondContact O-N 3.07Å
95V56.1Low55.3Low11 Ų1172.7 Ų72.77%0.06739%0.387CS..SBendtrans-99.3119.5-178.3-179.60000109.1V21 Y92 I100 I103V21-V95 HydrophobicContact CG1-CG2 4.41Å; Y92-V95 HydrophobicContact CD1-CG2 4.41Å; Y92-V95 PolarHBondContact O-N 2.83Å; V95-I100 HydrophobicContact CG1-CG1 4.01Å; V95-I103 HydrophobicContact CB-CD1 4.48Å; V95-I103 HydrophobicContact CG1-CD1 3.67Å; V95-I103 HydrophobicContact CG2-CD1 4.03Å
96P62.5Low55.8Low46 Ų4667.4 Ų67.430%0.29936%0.36SS..  trans-58.6140.7174.5-21.530.3000111.3V21 Q98 Y99V21-P96 HydrophobicContact CG2-CG 4.13Å; P96-Q98 HydrophobicContact CB-CG 4.35Å; P96-Q98 PolarHBondContact O-N 3Å; P96-Y99 HydrophobicContact CB-CD2 3.83Å; P96-Y99 HydrophobicContact CB-CE2 4.14Å; P96-Y99 HydrophobicContact CG-CD2 3.91Å; P96-Y99 HydrophobicContact CG-CE2 4.11Å; P96-Y99 PolarHBondContact O-N 3.42Å
97P65.2Low55.9Low108 Ų10865.5 Ų65.570%0.70135%0.353SS*.Hα-helixtrans-51-36.9-173.2-30.635.5000115.2Y99 I100P97-Y99 PolarHBondContact O-N 3.07Å; P97-Y99 VanDerWaalsContact O-N 3.14Å; P97-I100 HydrophobicContact CB-CD1 4.48Å; P97-I100 WeakPolarHBondContact O-CB 3.33Å; P97-I100 PolarHBondContact O-N 3.27Å; P97-I100 VanDerWaalsContact O-N 3.07Å
98Q64.8Low56.4Low133 Ų13366.4 Ų66.462%0.62135%0.354SS*.Hα-helixtrans-60.8-21.4179.168.8-146.535.600114.8P96P96-Q98 HydrophobicContact CB-CG 4.35Å; P96-Q98 PolarHBondContact O-N 3Å
99Y61.2Low56.7Low20 Ų2066 Ų668%0.07834%0.344CS..Hα-helixtrans-97.7-13.1178-61.3-66.9000113.1L16 H19 V21 P96 P97 E101 Q102 I103L16-Y99 HydrophobicContact CD2-CD1 3.63Å; L16-Y99 HydrophobicContact CD2-CG 3.65Å; H19-Y99 HydrophobicContact CB-CE1 4.1Å; H19-Y99 HydrophobicContact CB-CE2 4.21Å; H19-Y99 VanDerWaalsContact CB-OH 3.26Å; H19-Y99 WeakPolarHBondContact CB-OH 3.48Å; H19-Y99 AromaticContact CD2-CZ 3.88Å; H19-Y99 PolarHBondContact CD2-OH 3.33Å; H19-Y99 AromaticContact CG-CE1 3.84Å; H19-Y99 AromaticContact CG-CZ 3.59Å; H19-Y99 AromaticContact ND1-CE1 3.83Å; V21-Y99 HydrophobicContact CG2-CD2 3.79Å; V21-Y99 HydrophobicContact CG2-CE2 3.86Å; P96-Y99 HydrophobicContact CB-CD2 3.83Å; P96-Y99 HydrophobicContact CB-CE2 4.14Å; P96-Y99 HydrophobicContact CG-CD2 3.91Å; P96-Y99 HydrophobicContact CG-CE2 4.11Å; P96-Y99 PolarHBondContact O-N 3.42Å; P97-Y99 PolarHBondContact O-N 3.07Å; P97-Y99 VanDerWaalsContact O-N 3.14Å; Y99-E101 VanDerWaalsContact C-N 3.29Å; Y99-E101 PolarHBondContact O-N 2.87Å; Y99-Q102 PolarHBondContact O-N 2.83Å; Y99-I103 WeakPolarHBondContact O-CG1 3.42Å; Y99-I103 PolarHBondContact O-N 3.21Å
100I57.6Low56.7Low44 Ų4462.8 Ų62.823%0.22632%0.321CS..Hα-helixtrans-60.2-42.8-178.4-63.8-179.9000110.1V95 P97 Q102 I103 Q104V95-I100 HydrophobicContact CG1-CG1 4.01Å; P97-I100 HydrophobicContact CB-CD1 4.48Å; P97-I100 WeakPolarHBondContact O-CB 3.33Å; P97-I100 PolarHBondContact O-N 3.27Å; P97-I100 VanDerWaalsContact O-N 3.07Å; I100-Q102 VanDerWaalsContact C-N 3.33Å; I100-Q102 PolarHBondContact O-N 3.47Å; I100-I103 PolarHBondContact O-N 3.41Å; I100-Q104 HydrophobicContact CG2-CG 4.24Å; I100-Q104 WeakPolarHBondContact O-CB 3.48Å; I100-Q104 VanDerWaalsContact O-CG 3.28Å; I100-Q104 WeakPolarHBondContact O-CG 3.33Å; I100-Q104 PolarHBondContact O-N 2.78Å
101E60.2Low56.9Low113 Ų11359.5 Ų59.553%0.52831%0.305SS..Hα-helixtrans-62.9-38.6179.2-161.9-162.7143.300112.2Y99 Q104 K105Y99-E101 VanDerWaalsContact C-N 3.29Å; Y99-E101 PolarHBondContact O-N 2.87Å; E101-Q104 WeakPolarHBondContact O-CB 3.25Å; E101-Q104 PolarHBondContact O-N 2.71Å; E101-K105 PolarHBondContact O-N 2.56Å; E101-K105 WeakPolarHBondContact OE1-CE 3.36Å; E101-K105 IonicContact OE1-NZ 3.18Å; E101-K105 PolarHBondContact OE1-NZ 2.82Å
102Q60.5Low57.2Low64 Ų6462.7 Ų62.730%0.29933%0.325SS..Hα-helixtrans-66.8-41.7177.2-63.7-17821.100111.2N15 Y99 I100 Q104 K105 V106N15-Q102 PolarHBondContact ND2-OE1 3.14Å; Y99-Q102 PolarHBondContact O-N 2.83Å; I100-Q102 VanDerWaalsContact C-N 3.33Å; I100-Q102 PolarHBondContact O-N 3.47Å; Q102-Q104 VanDerWaalsContact C-N 3.31Å; Q102-K105 PolarHBondContact O-N 3.36Å; Q102-V106 PolarHBondContact O-N 3.09Å
103I55.8Low57Low4 Ų464.6 Ų64.62%0.02133%0.334CS..Hα-helixtrans-67.7-34174.8-59.1174.4000110.7L16 Y92 V95 Y99 I100 V106 N107L16-I103 HydrophobicContact CD1-CD1 3.92Å; L16-I103 HydrophobicContact CD1-CG1 3.82Å; L16-I103 HydrophobicContact CD2-CD1 4.49Å; Y92-I103 HydrophobicContact CE1-CB 4.24Å; Y92-I103 HydrophobicContact CE1-CG2 3.72Å; V95-I103 HydrophobicContact CB-CD1 4.48Å; V95-I103 HydrophobicContact CG1-CD1 3.67Å; V95-I103 HydrophobicContact CG2-CD1 4.03Å; Y99-I103 WeakPolarHBondContact O-CG1 3.42Å; Y99-I103 PolarHBondContact O-N 3.21Å; I100-I103 PolarHBondContact O-N 3.41Å; I103-V106 WeakPolarHBondContact O-CB 3.43Å; I103-V106 PolarHBondContact O-N 2.98Å; I103-N107 PolarHBondContact O-N 2.78Å; I103-N107 PolarHBondContact O-ND2 3.33Å
104Q58.4Low56.6Low97 Ų9760.1 Ų60.145%0.45331%0.306SS..Hα-helixtrans-63.4-39.9173.1-76.6173.7-1400112.4I100 E101 Q102 V106 N107 E108I100-Q104 HydrophobicContact CG2-CG 4.24Å; I100-Q104 WeakPolarHBondContact O-CB 3.48Å; I100-Q104 VanDerWaalsContact O-CG 3.28Å; I100-Q104 WeakPolarHBondContact O-CG 3.33Å; I100-Q104 PolarHBondContact O-N 2.78Å; E101-Q104 WeakPolarHBondContact O-CB 3.25Å; E101-Q104 PolarHBondContact O-N 2.71Å; Q102-Q104 VanDerWaalsContact C-N 3.31Å; Q104-V106 VanDerWaalsContact C-N 3.34Å; Q104-V106 PolarHBondContact O-N 3.4Å; Q104-N107 CarbonylContact O-C 3.5Å; Q104-N107 WeakPolarHBondContact O-CA 3.42Å; Q104-N107 VanDerWaalsContact O-CB 3.23Å; Q104-N107 WeakPolarHBondContact O-CB 3.25Å; Q104-N107 PolarHBondContact O-N 3.28Å; Q104-E108 PolarHBondContact O-N 2.84Å
105K58.7Low56.4Low99 Ų9955.5 Ų55.543%0.4329%0.285SS..Hα-helixtrans-61.7-41.6172.5-73.6174.3-175.1158.60111.9E101 Q102 N107 E108 D109E101-K105 PolarHBondContact O-N 2.56Å; E101-K105 WeakPolarHBondContact OE1-CE 3.36Å; E101-K105 IonicContact OE1-NZ 3.18Å; E101-K105 PolarHBondContact OE1-NZ 2.82Å; Q102-K105 PolarHBondContact O-N 3.36Å; K105-N107 PolarHBondContact O-N 3.4Å; K105-E108 PolarHBondContact O-N 2.69Å; K105-D109 PolarHBondContact O-N 2.87Å
106V54.7Low55.9Low4 Ų460.2 Ų60.22%0.02431%0.31CS..Hα-helixtrans-60.7-37.6170.5-175.60000111.3I9 I12 Q102 I103 Q104 E108 D109 L110I9-V106 HydrophobicContact CG1-CG1 3.98Å; I12-V106 HydrophobicContact CB-CG2 3.99Å; I12-V106 HydrophobicContact CD1-CG2 3.05Å; I12-V106 HydrophobicContact CG1-CG2 4.04Å; I12-V106 HydrophobicContact CG2-CG2 3.81Å; Q102-V106 PolarHBondContact O-N 3.09Å; I103-V106 WeakPolarHBondContact O-CB 3.43Å; I103-V106 PolarHBondContact O-N 2.98Å; Q104-V106 VanDerWaalsContact C-N 3.34Å; Q104-V106 PolarHBondContact O-N 3.4Å; V106-E108 VanDerWaalsContact C-N 3.32Å; V106-E108 PolarHBondContact O-N 2.83Å; V106-D109 PolarHBondContact O-N 2.8Å; V106-L110 HydrophobicContact CG1-CD1 3.87Å; V106-L110 HydrophobicContact CG1-CG 3.97Å; V106-L110 WeakPolarHBondContact O-CB 3.46Å; V106-L110 VanDerWaalsContact O-CG 3.29Å; V106-L110 WeakPolarHBondContact O-CG 3.09Å; V106-L110 PolarHBondContact O-N 2.65Å
107N50.7Low54.9Low6 Ų661.9 Ų61.93%0.03231%0.312CS..Hα-helixtrans-65-35.8178.9-71.7-44000112.7R30 Y34 Y92 I103 Q104 K105 N111R30-N107 VanDerWaalsContact NE-CG 3.31Å; R30-N107 PolarHBondContact NE-ND2 3.09Å; R30-N107 PolarHBondContact NE-OD1 2.83Å; R30-N107 VanDerWaalsContact NH2-CG 3.31Å; R30-N107 PolarHBondContact NH2-ND2 3.47Å; R30-N107 VanDerWaalsContact NH2-ND2 3.14Å; Y34-N107 PolarHBondContact OH-O 2.99Å; Y34-N107 VanDerWaalsContact OH-O 3.12Å; Y92-N107 PolarHBondContact OH-ND2 2.82Å; I103-N107 PolarHBondContact O-N 2.78Å; I103-N107 PolarHBondContact O-ND2 3.33Å; Q104-N107 CarbonylContact O-C 3.5Å; Q104-N107 WeakPolarHBondContact O-CA 3.42Å; Q104-N107 VanDerWaalsContact O-CB 3.23Å; Q104-N107 WeakPolarHBondContact O-CB 3.25Å; Q104-N107 PolarHBondContact O-N 3.28Å; K105-N107 PolarHBondContact O-N 3.4Å; N107-N111 VanDerWaalsContact O-CB 3.25Å; N107-N111 WeakPolarHBondContact O-CB 3.06Å; N107-N111 PolarHBondContact O-N 3.29Å; N107-N111 PolarHBondContact O-ND2 2.78Å
108E57.2Low54.1Low129 Ų12958 Ų5860%0.60328%0.284SS*.Hα-helixtrans-66-40173.4-70.3178174.800111.3Q104 K105 V106 N111 T112Q104-E108 PolarHBondContact O-N 2.84Å; K105-E108 PolarHBondContact O-N 2.69Å; V106-E108 VanDerWaalsContact C-N 3.32Å; V106-E108 PolarHBondContact O-N 2.83Å; E108-N111 WeakPolarHBondContact O-CB 3.17Å; E108-N111 PolarHBondContact O-N 3.1Å; E108-T112 PolarHBondContact O-N 3.3Å; E108-T112 PolarHBondContact O-OG1 3.5Å
109D55Low53.3Low27 Ų2756.7 Ų56.714%0.14428%0.278CS..Hα-helixtrans-68-42.8175.2-58.5-40.3000112.2R8 K105 V106 N111 T112 F113R8-D109 IonicContact CZ-OD1 2.71Å; R8-D109 VanDerWaalsContact CZ-OD1 3.26Å; R8-D109 IonicContact CZ-OD2 2.8Å; R8-D109 IonicContact NE-OD2 3.54Å; R8-D109 PolarHBondContact NE-OD2 3Å; R8-D109 IonicContact NH1-OD1 2.77Å; R8-D109 PolarHBondContact NH1-OD1 3.14Å; R8-D109 IonicContact NH1-OD2 3.43Å; R8-D109 PolarHBondContact NH1-OD2 2.83Å; R8-D109 IonicContact NH2-OD1 2.74Å; R8-D109 PolarHBondContact NH2-OD1 3.37Å; R8-D109 IonicContact NH2-OD2 3.26Å; R8-D109 PolarHBondContact NH2-OD2 2.81Å; K105-D109 PolarHBondContact O-N 2.87Å; V106-D109 PolarHBondContact O-N 2.8Å; D109-N111 VanDerWaalsContact C-N 3.33Å; D109-T112 PolarHBondContact O-N 3.29Å; D109-F113 WeakPolarHBondContact O-CB 3.42Å; D109-F113 PolarHBondContact O-N 3.14Å
110L50Low52.2Low5 Ų561.2 Ų61.23%0.02630%0.298CS..Hα-helixtrans-62.6-43.1174.4-76.2176.7000110I5 I9 Y34 V106 T112 F113 Y114I5-L110 HydrophobicContact CG2-CD2 4.42Å; I9-L110 HydrophobicContact CD1-CD2 3.7Å; I9-L110 HydrophobicContact CG1-CD2 4.47Å; Y34-L110 HydrophobicContact CD2-CB 3.95Å; Y34-L110 HydrophobicContact CE2-CB 3.75Å; Y34-L110 HydrophobicContact CE2-CD1 4.48Å; V106-L110 HydrophobicContact CG1-CD1 3.87Å; V106-L110 HydrophobicContact CG1-CG 3.97Å; V106-L110 WeakPolarHBondContact O-CB 3.46Å; V106-L110 VanDerWaalsContact O-CG 3.29Å; V106-L110 WeakPolarHBondContact O-CG 3.09Å; V106-L110 PolarHBondContact O-N 2.65Å; L110-T112 VanDerWaalsContact C-N 3.31Å; L110-T112 PolarHBondContact O-N 2.94Å; L110-F113 CarbonylContact O-C 3.58Å; L110-F113 WeakPolarHBondContact O-CB 3.36Å; L110-F113 PolarHBondContact O-N 3.34Å; L110-Y114 HydrophobicContact CB-CD2 4.17Å; L110-Y114 HydrophobicContact CB-CE2 4.11Å; L110-Y114 HydrophobicContact CD2-CE2 3.91Å; L110-Y114 WeakPolarHBondContact O-CB 3.2Å; L110-Y114 WeakPolarHBondContact O-CD2 3.1Å; L110-Y114 PolarHBondContact O-N 3.47Å
111N53.4Low51.5Low52 Ų5261.4 Ų61.428%0.27830%0.303SS..Hα-helixtrans-53.6-50.7172.9-98.1-34.8000111.2Y34 N107 E108 D109 F113 Y114 A115Y34-N111 WeakPolarHBondContact CD1-OD1 3.32Å; Y34-N111 WeakPolarHBondContact CE1-OD1 3.19Å; Y34-N111 VanDerWaalsContact CZ-CG 3.49Å; Y34-N111 PolarHBondContact OH-ND2 2.68Å; Y34-N111 PolarHBondContact OH-OD1 3.4Å; N107-N111 VanDerWaalsContact O-CB 3.25Å; N107-N111 WeakPolarHBondContact O-CB 3.06Å; N107-N111 PolarHBondContact O-N 3.29Å; N107-N111 PolarHBondContact O-ND2 2.78Å; E108-N111 WeakPolarHBondContact O-CB 3.17Å; E108-N111 PolarHBondContact O-N 3.1Å; D109-N111 VanDerWaalsContact C-N 3.33Å; N111-F113 VanDerWaalsContact C-N 3.34Å; N111-F113 PolarHBondContact O-N 2.87Å; N111-Y114 PolarHBondContact O-N 3.04Å; N111-A115 WeakPolarHBondContact O-CB 3.5Å; N111-A115 PolarHBondContact O-N 2.85Å
112T54.9Low50.8Low84 Ų8457.9 Ų57.952%0.51529%0.286SS..Hα-helixtrans-61.3-44.1178.3-55.40000111.1E108 D109 L110 Y114 A115 L116E108-T112 PolarHBondContact O-N 3.3Å; E108-T112 PolarHBondContact O-OG1 3.5Å; D109-T112 PolarHBondContact O-N 3.29Å; L110-T112 VanDerWaalsContact C-N 3.31Å; L110-T112 PolarHBondContact O-N 2.94Å; T112-Y114 PolarHBondContact O-N 3.5Å; T112-A115 PolarHBondContact O-N 2.84Å; T112-L116 HydrophobicContact CG2-CD1 4.47Å; T112-L116 WeakPolarHBondContact O-CG 3.31Å; T112-L116 PolarHBondContact O-N 2.83Å
113F45.8Very low50Low73 Ų7360.4 Ų60.432%0.3229%0.294SS..Hα-helixtrans-61-44.4176.1-178.4-108.4000112.6I5 D109 L110 N111 L116 K117I5-F113 HydrophobicContact CD1-CB 3.67Å; I5-F113 HydrophobicContact CD1-CD2 3.61Å; I5-F113 HydrophobicContact CD1-CG 3.99Å; I5-F113 HydrophobicContact CG2-CB 4.48Å; D109-F113 WeakPolarHBondContact O-CB 3.42Å; D109-F113 PolarHBondContact O-N 3.14Å; L110-F113 CarbonylContact O-C 3.58Å; L110-F113 WeakPolarHBondContact O-CB 3.36Å; L110-F113 PolarHBondContact O-N 3.34Å; N111-F113 VanDerWaalsContact C-N 3.34Å; N111-F113 PolarHBondContact O-N 2.87Å; F113-L116 CarbonylContact O-C 3.6Å; F113-L116 WeakPolarHBondContact O-CB 3.41Å; F113-L116 PolarHBondContact O-N 3.44Å; F113-K117 HydrophobicContact CE1-CD 4.24Å; F113-K117 WeakPolarHBondContact O-CB 3.33Å; F113-K117 PolarHBondContact O-N 3.09Å
114Y48Very low49.1Very low12 Ų1264.1 Ų64.15%0.04731%0.313CS..Hα-helixtrans-74-30.3-179.5-73.9-64.9000112.1R31 Y34 E35 L110 N111 T112 K117 Y118R31-Y114 WeakPolarHBondContact CG-OH 3.33Å; Y34-Y114 VanDerWaalsContact CB-CG 3.46Å; Y34-Y114 AromaticContact CD2-CD2 3.59Å; Y34-Y114 HydrophobicContact CD2-CD2 3.59Å; Y34-Y114 AromaticContact CD2-CE2 3.8Å; Y34-Y114 HydrophobicContact CD2-CE2 3.8Å; Y34-Y114 AromaticContact CG-CD2 3.56Å; Y34-Y114 HydrophobicContact CG-CD2 3.56Å; Y34-Y114 HydrophobicContact CG-CE2 4.07Å; Y34-Y114 HydrophobicContact CG-CG 4.27Å; E35-Y114 HydrophobicContact CB-CE1 4.46Å; E35-Y114 HydrophobicContact CG-CD1 4.01Å; E35-Y114 HydrophobicContact CG-CE1 3.28Å; L110-Y114 HydrophobicContact CB-CD2 4.17Å; L110-Y114 HydrophobicContact CB-CE2 4.11Å; L110-Y114 HydrophobicContact CD2-CE2 3.91Å; L110-Y114 WeakPolarHBondContact O-CB 3.2Å; L110-Y114 WeakPolarHBondContact O-CD2 3.1Å; L110-Y114 PolarHBondContact O-N 3.47Å; N111-Y114 PolarHBondContact O-N 3.04Å; T112-Y114 PolarHBondContact O-N 3.5Å; Y114-K117 HydrophobicContact CD1-CD 4.1Å; Y114-K117 HydrophobicContact CE1-CD 4.17Å; Y114-K117 PolarHBondContact O-N 2.84Å; Y114-Y118 WeakPolarHBondContact O-CB 3.29Å; Y114-Y118 PolarHBondContact O-N 3.38Å
115A54Low48.4Very low34 Ų3460.7 Ų60.728%0.28130%0.298SS..Hα-helixtrans-63.1-41.2166.500000111.6Y38 N111 T112 Y118 E119Y38-A115 HydrophobicContact CE1-CB 4.04Å; N111-A115 WeakPolarHBondContact O-CB 3.5Å; N111-A115 PolarHBondContact O-N 2.85Å; T112-A115 PolarHBondContact O-N 2.84Å; A115-Y118 VanDerWaalsContact O-CB 3.29Å; A115-Y118 WeakPolarHBondContact O-CB 3.33Å; A115-Y118 PolarHBondContact O-N 2.88Å; A115-E119 PolarHBondContact O-N 2.96Å
116L44.8Very low47.7Very low111 Ų11157.7 Ų57.758%0.58129%0.285SS*.Hα-helixtrans-67.3-43.1173.6-71.3170.3000112.2T112 F113 Y118 E119 F120T112-L116 HydrophobicContact CG2-CD1 4.47Å; T112-L116 WeakPolarHBondContact O-CG 3.31Å; T112-L116 PolarHBondContact O-N 2.83Å; F113-L116 CarbonylContact O-C 3.6Å; F113-L116 WeakPolarHBondContact O-CB 3.41Å; F113-L116 PolarHBondContact O-N 3.44Å; L116-Y118 PolarHBondContact O-N 3.29Å; L116-E119 PolarHBondContact O-N 2.7Å; L116-F120 WeakPolarHBondContact O-CB 3.34Å; L116-F120 PolarHBondContact O-N 3.16Å
117K41.9Very low47Very low80 Ų8060.6 Ų60.635%0.34830%0.3SS..Hα-helixtrans-63.6-32.3174.6-167.6177.4178177.50110.9E35 F113 Y114 S121E35-K117 IonicContact OE1-NZ 3.57Å; E35-K117 PolarHBondContact OE1-NZ 2.91Å; F113-K117 HydrophobicContact CE1-CD 4.24Å; F113-K117 WeakPolarHBondContact O-CB 3.33Å; F113-K117 PolarHBondContact O-N 3.09Å; Y114-K117 HydrophobicContact CD1-CD 4.1Å; Y114-K117 HydrophobicContact CE1-CD 4.17Å; Y114-K117 PolarHBondContact O-N 2.84Å; K117-S121 VanDerWaalsContact O-CB 3.25Å; K117-S121 WeakPolarHBondContact O-CB 3.49Å; K117-S121 PolarHBondContact O-N 2.88Å; K117-S121 PolarHBondContact O-OG 2.97Å
118Y48.6Very low46.4Very low26 Ų2668.5 Ų68.510%0.10233%0.334CS..Hα-helixtrans-64.5-51.7171.9164.2-84.9000111.2Y38 R41 T42 D45 Y114 A115 L116 F120 S121 K122Y38-Y118 AromaticContact CD1-CD2 3.78Å; Y38-Y118 HydrophobicContact CD1-CD2 3.78Å; Y38-Y118 AromaticContact CD1-CG 3.9Å; Y38-Y118 HydrophobicContact CD1-CG 3.9Å; R41-Y118 HydrophobicContact CB-CE2 4.32Å; T42-Y118 WeakPolarHBondContact OG1-CD2 3.46Å; T42-Y118 VanDerWaalsContact OG1-CE2 3.27Å; T42-Y118 WeakPolarHBondContact OG1-CE2 3.43Å; D45-Y118 PolarHBondContact OD2-OH 3.32Å; Y114-Y118 WeakPolarHBondContact O-CB 3.29Å; Y114-Y118 PolarHBondContact O-N 3.38Å; A115-Y118 VanDerWaalsContact O-CB 3.29Å; A115-Y118 WeakPolarHBondContact O-CB 3.33Å; A115-Y118 PolarHBondContact O-N 2.88Å; L116-Y118 PolarHBondContact O-N 3.29Å; Y118-F120 VanDerWaalsContact C-N 3.27Å; Y118-F120 PolarHBondContact O-N 2.82Å; Y118-S121 PolarHBondContact O-N 3.4Å; Y118-S121 VanDerWaalsContact O-N 3.14Å; Y118-K122 HydrophobicContact CD1-CD 4.45Å; Y118-K122 HydrophobicContact CE1-CD 3.91Å; Y118-K122 PolarHBondContact O-N 2.85Å; Y118-K122 WeakPolarHBondContact OH-CE 3.14Å; Y118-K122 PolarHBondContact OH-NZ 3.24Å
119E48.8Very low45.7Very low106 Ų10664.1 Ų64.150%0.49531%0.313SS..Hα-helixtrans-60.2-40.1175.7-73.2-57.4141.600111.3A115 L116 K122 Y123A115-E119 PolarHBondContact O-N 2.96Å; L116-E119 PolarHBondContact O-N 2.7Å; E119-K122 WeakPolarHBondContact O-CB 3.24Å; E119-K122 PolarHBondContact O-N 2.92Å; E119-K122 IonicContact OE1-NZ 2.99Å; E119-Y123 WeakPolarHBondContact O-CB 3.27Å; E119-Y123 PolarHBondContact O-N 2.85Å
120F36.8Very low45.1Very low116 Ų11665.6 Ų65.651%0.50933%0.334SS..Hα-helixtrans-66.9-39.3174.9-172.2-106.9000113L116 Y118 Y123 L124L116-F120 WeakPolarHBondContact O-CB 3.34Å; L116-F120 PolarHBondContact O-N 3.16Å; Y118-F120 VanDerWaalsContact C-N 3.27Å; Y118-F120 PolarHBondContact O-N 2.82Å; F120-Y123 WeakPolarHBondContact O-CB 3.45Å; F120-Y123 PolarHBondContact O-N 3.21Å; F120-L124 HydrophobicContact CD1-CD1 3.84Å; F120-L124 HydrophobicContact CD1-CG 4.18Å; F120-L124 HydrophobicContact CE1-CD1 3.38Å; F120-L124 HydrophobicContact CE1-CD2 4.35Å; F120-L124 HydrophobicContact CE1-CG 3.84Å; F120-L124 HydrophobicContact CZ-CD1 4.01Å; F120-L124 HydrophobicContact CZ-CD2 4.13Å; F120-L124 HydrophobicContact CZ-CG 4.05Å; F120-L124 WeakPolarHBondContact O-CG 3.28Å; F120-L124 PolarHBondContact O-N 3.42Å
121S42.4Very low44.9Very low47 Ų4766 Ų6633%0.32934%0.335SS..Hα-helixtrans-68.5-40.7177.2-60.90000111.4K117 Y118 Y123 L124 L125K117-S121 VanDerWaalsContact O-CB 3.25Å; K117-S121 WeakPolarHBondContact O-CB 3.49Å; K117-S121 PolarHBondContact O-N 2.88Å; K117-S121 PolarHBondContact O-OG 2.97Å; Y118-S121 PolarHBondContact O-N 3.4Å; Y118-S121 VanDerWaalsContact O-N 3.14Å; S121-Y123 VanDerWaalsContact C-N 3.32Å; S121-L124 PolarHBondContact O-N 2.81Å; S121-L125 WeakPolarHBondContact O-CB 3.18Å; S121-L125 PolarHBondContact O-N 3.41Å
122K46.8Very low44.4Very low39 Ų3969.8 Ų69.817%0.1735%0.349CS..Hα-helixtrans-55.2-50.3168.7-82.5-172.4174.8168.10110.7T42 V46 Y118 E119 L124 L125 F126T42-K122 HydrophobicContact CG2-CG 3.72Å; V46-K122 HydrophobicContact CG2-CG 4.18Å; Y118-K122 HydrophobicContact CD1-CD 4.45Å; Y118-K122 HydrophobicContact CE1-CD 3.91Å; Y118-K122 PolarHBondContact O-N 2.85Å; Y118-K122 WeakPolarHBondContact OH-CE 3.14Å; Y118-K122 PolarHBondContact OH-NZ 3.24Å; E119-K122 WeakPolarHBondContact O-CB 3.24Å; E119-K122 PolarHBondContact O-N 2.92Å; E119-K122 IonicContact OE1-NZ 2.99Å; K122-L124 PolarHBondContact O-N 3.08Å; K122-L125 WeakPolarHBondContact O-CB 3.49Å; K122-L125 PolarHBondContact O-N 2.74Å; K122-L125 VanDerWaalsContact O-N 3.14Å; K122-F126 HydrophobicContact CB-CD2 4.38Å; K122-F126 HydrophobicContact CB-CE2 4.02Å; K122-F126 WeakPolarHBondContact O-CD2 3.44Å; K122-F126 VanDerWaalsContact O-CG 3.29Å; K122-F126 WeakPolarHBondContact O-CG 3.34Å; K122-F126 PolarHBondContact O-N 3.16Å
123Y42.5Very low43.8Very low118 Ų11873.1 Ų73.146%0.46336%0.364SS..Hα-helixtrans-58.3-48.5178.9-179-107.4000111.6E119 F120 S121 L125 F126 I127E119-Y123 WeakPolarHBondContact O-CB 3.27Å; E119-Y123 PolarHBondContact O-N 2.85Å; F120-Y123 WeakPolarHBondContact O-CB 3.45Å; F120-Y123 PolarHBondContact O-N 3.21Å; S121-Y123 VanDerWaalsContact C-N 3.32Å; Y123-L125 VanDerWaalsContact C-N 3.31Å; Y123-L125 PolarHBondContact O-N 3.33Å; Y123-F126 WeakPolarHBondContact O-CB 3.48Å; Y123-F126 PolarHBondContact O-N 3.02Å; Y123-I127 HydrophobicContact CD1-CD1 3.88Å; Y123-I127 HydrophobicContact CD1-CG1 4.45Å; Y123-I127 HydrophobicContact CE1-CD1 3.32Å; Y123-I127 HydrophobicContact CE1-CG1 4.19Å; Y123-I127 HydrophobicContact CE2-CD1 4.35Å; Y123-I127 HydrophobicContact CE2-CG1 4.5Å; Y123-I127 WeakPolarHBondContact O-CG1 3.3Å; Y123-I127 PolarHBondContact O-N 3.03Å
124L37.1Very low43.5Very low82 Ų8271.6 Ų71.643%0.42936%0.359SS..Hα-helixtrans-61.4-37.7175.2-73.6-178000112.8F120 S121 K122 I127 K128F120-L124 HydrophobicContact CD1-CD1 3.84Å; F120-L124 HydrophobicContact CD1-CG 4.18Å; F120-L124 HydrophobicContact CE1-CD1 3.38Å; F120-L124 HydrophobicContact CE1-CD2 4.35Å; F120-L124 HydrophobicContact CE1-CG 3.84Å; F120-L124 HydrophobicContact CZ-CD1 4.01Å; F120-L124 HydrophobicContact CZ-CD2 4.13Å; F120-L124 HydrophobicContact CZ-CG 4.05Å; F120-L124 WeakPolarHBondContact O-CG 3.28Å; F120-L124 PolarHBondContact O-N 3.42Å; S121-L124 PolarHBondContact O-N 2.81Å; K122-L124 PolarHBondContact O-N 3.08Å; L124-I127 PolarHBondContact O-N 3.39Å; L124-K128 WeakPolarHBondContact O-CB 3.49Å; L124-K128 PolarHBondContact O-N 3.03Å
125L43.5Very low43Very low25 Ų2581.3 Ų81.313%0.13140%0.395CS..Hα-helixtrans-64-45.8175.8-151.9108.2000110.2F43 V46 S121 K122 Y123 I127 K128 F129F43-L125 HydrophobicContact CE1-CD1 4.26Å; F43-L125 HydrophobicContact CZ-CD1 4.11Å; V46-L125 HydrophobicContact CB-CD2 4.19Å; V46-L125 HydrophobicContact CG1-CD2 3.44Å; V46-L125 VanDerWaalsContact CG1-CD2 3.44Å; V46-L125 HydrophobicContact CG2-CD2 4.31Å; S121-L125 WeakPolarHBondContact O-CB 3.18Å; S121-L125 PolarHBondContact O-N 3.41Å; K122-L125 WeakPolarHBondContact O-CB 3.49Å; K122-L125 PolarHBondContact O-N 2.74Å; K122-L125 VanDerWaalsContact O-N 3.14Å; Y123-L125 VanDerWaalsContact C-N 3.31Å; Y123-L125 PolarHBondContact O-N 3.33Å; L125-I127 VanDerWaalsContact C-N 3.32Å; L125-I127 PolarHBondContact O-N 2.8Å; L125-K128 PolarHBondContact O-N 3.26Å; L125-F129 HydrophobicContact CD1-CE2 4.21Å; L125-F129 HydrophobicContact CD2-CD2 4.04Å; L125-F129 HydrophobicContact CD2-CE2 4.04Å; L125-F129 HydrophobicContact CG-CD2 3.85Å; L125-F129 HydrophobicContact CG-CE2 3.73Å; L125-F129 WeakPolarHBondContact O-CD2 3.18Å; L125-F129 PolarHBondContact O-N 3.25Å
126F45.8Very low42.2Very low35 Ų3583.3 Ų83.315%0.15440%0.404CS..Hα-helixtrans-59.4-41.8174.1-66.1-45000111.8V46 K122 Y123 G130 W131 V136V46-F126 HydrophobicContact CG2-CZ 4.42Å; K122-F126 HydrophobicContact CB-CD2 4.38Å; K122-F126 HydrophobicContact CB-CE2 4.02Å; K122-F126 WeakPolarHBondContact O-CD2 3.44Å; K122-F126 VanDerWaalsContact O-CG 3.29Å; K122-F126 WeakPolarHBondContact O-CG 3.34Å; K122-F126 PolarHBondContact O-N 3.16Å; Y123-F126 WeakPolarHBondContact O-CB 3.48Å; Y123-F126 PolarHBondContact O-N 3.02Å; F126-G130 PolarHBondContact O-N 3.14Å; F126-G130 VanDerWaalsContact O-N 3.16Å; F126-W131 HydrophobicContact CB-CB 4.3Å; F126-W131 HydrophobicContact CD1-CB 3.99Å; F126-W131 AromaticContact CD1-CE3 3.76Å; F126-W131 HydrophobicContact CD1-CE3 3.76Å; F126-W131 HydrophobicContact CE1-CE3 4.05Å; F126-W131 WeakPolarHBondContact O-CA 3.36Å; F126-W131 PolarHBondContact O-N 3.1Å; F126-V136 HydrophobicContact CE2-CG2 4.1Å; F126-V136 HydrophobicContact CZ-CG2 3.84Å
127I38.2Very low41.6Very low66 Ų6683.1 Ų83.134%0.33841%0.407SS..Hα-helixtrans-61.9-51.6174-66-172.5000111.1Y123 L124 L125 F129 G130 K132Y123-I127 HydrophobicContact CD1-CD1 3.88Å; Y123-I127 HydrophobicContact CD1-CG1 4.45Å; Y123-I127 HydrophobicContact CE1-CD1 3.32Å; Y123-I127 HydrophobicContact CE1-CG1 4.19Å; Y123-I127 HydrophobicContact CE2-CD1 4.35Å; Y123-I127 HydrophobicContact CE2-CG1 4.5Å; Y123-I127 WeakPolarHBondContact O-CG1 3.3Å; Y123-I127 PolarHBondContact O-N 3.03Å; L124-I127 PolarHBondContact O-N 3.39Å; L125-I127 VanDerWaalsContact C-N 3.32Å; L125-I127 PolarHBondContact O-N 2.8Å; I127-F129 PolarHBondContact O-N 3.21Å; I127-G130 PolarHBondContact O-N 3.12Å; I127-K132 HydrophobicContact CG1-CD 4.34Å; I127-K132 HydrophobicContact CG1-CG 4.07Å
128K39.3Very low41Very low171 Ų17188.6 Ų88.674%0.74343%0.431SS*.Hα-helixtrans-59-35.4-175.1-177.2174.5179.2176.60112L124 L125L124-K128 WeakPolarHBondContact O-CB 3.49Å; L124-K128 PolarHBondContact O-N 3.03Å; L125-K128 PolarHBondContact O-N 3.26Å
129F41.9Very low40.1Very low38 Ų3893.2 Ų93.217%0.16747%0.467CS..THydrogen-bonded Turntrans-948178.6-66.2-68.4000113.9Y63 L68 L125 I127 W131Y63-F129 AromaticContact CE1-CD1 3.86Å; Y63-F129 HydrophobicContact CE1-CD1 3.86Å; Y63-F129 AromaticContact CE1-CE1 3.72Å; Y63-F129 HydrophobicContact CE1-CE1 3.72Å; Y63-F129 HydrophobicContact CE2-CD1 4.45Å; Y63-F129 AromaticContact CZ-CD1 3.71Å; Y63-F129 AromaticContact CZ-CE1 3.82Å; Y63-F129 WeakPolarHBondContact OH-CE1 3.13Å; L68-F129 HydrophobicContact CD1-CE1 4.07Å; L68-F129 HydrophobicContact CD1-CE2 4.14Å; L68-F129 HydrophobicContact CD1-CZ 3.79Å; L68-F129 HydrophobicContact CD2-CE2 3.83Å; L68-F129 HydrophobicContact CD2-CZ 3.75Å; L68-F129 HydrophobicContact CG-CE2 4.43Å; L68-F129 HydrophobicContact CG-CZ 3.96Å; L125-F129 HydrophobicContact CD1-CE2 4.21Å; L125-F129 HydrophobicContact CD2-CD2 4.04Å; L125-F129 HydrophobicContact CD2-CE2 4.04Å; L125-F129 HydrophobicContact CG-CD2 3.85Å; L125-F129 HydrophobicContact CG-CE2 3.73Å; L125-F129 WeakPolarHBondContact O-CD2 3.18Å; L125-F129 PolarHBondContact O-N 3.25Å; I127-F129 PolarHBondContact O-N 3.21Å; F129-W131 HydrophobicContact CB-CD2 3.79Å; F129-W131 HydrophobicContact CB-CE3 4.21Å; F129-W131 HydrophobicContact CB-CG 4.16Å; F129-W131 HydrophobicContact CB-CH2 4.04Å; F129-W131 HydrophobicContact CB-CZ2 3.77Å; F129-W131 HydrophobicContact CB-CZ3 4.28Å; F129-W131 HydrophobicContact CD2-CH2 4.26Å; F129-W131 HydrophobicContact CD2-CZ3 4.39Å; F129-W131 HydrophobicContact CG-CH2 4.12Å; F129-W131 HydrophobicContact CG-CZ2 4.17Å; F129-W131 PolarHBondContact O-N 3.14Å; F129-W131 PolarHBondContact O-NE1 2.83Å
130G41.9Very low39.2Very low57 Ų5795 Ų9559%0.58851%0.514SS*.THydrogen-bonded Turntrans69.118.7178.300000114.1F126 I127 K132F126-G130 PolarHBondContact O-N 3.14Å; F126-G130 VanDerWaalsContact O-N 3.16Å; I127-G130 PolarHBondContact O-N 3.12Å; G130-K132 VanDerWaalsContact C-N 3.33Å; G130-K132 PolarHBondContact O-N 3.01Å
131W45.7Very low39.3Very low13 Ų1394 Ų945%0.04952%0.515CS..G310 helixtrans-90.817.8-175.9-63.1-11.3000114V46 I50 F65 F126 F129 D133 I134V46-W131 HydrophobicContact CG1-CZ3 3.98Å; I50-W131 HydrophobicContact CD1-CE3 4.48Å; I50-W131 HydrophobicContact CD1-CH2 3.13Å; I50-W131 HydrophobicContact CD1-CZ2 4.22Å; I50-W131 HydrophobicContact CD1-CZ3 3.3Å; I50-W131 HydrophobicContact CG1-CE3 4.29Å; I50-W131 HydrophobicContact CG1-CH2 3.51Å; I50-W131 HydrophobicContact CG1-CZ2 4.31Å; I50-W131 HydrophobicContact CG1-CZ3 3.48Å; I50-W131 VanDerWaalsContact CG1-CZ3 3.48Å; F65-W131 AromaticContact CE1-CH2 3.79Å; F65-W131 HydrophobicContact CE1-CH2 3.79Å; F65-W131 AromaticContact CE1-CZ2 3.76Å; F65-W131 HydrophobicContact CE1-CZ2 3.76Å; F65-W131 HydrophobicContact CZ-CZ2 4.21Å; F126-W131 HydrophobicContact CB-CB 4.3Å; F126-W131 HydrophobicContact CD1-CB 3.99Å; F126-W131 AromaticContact CD1-CE3 3.76Å; F126-W131 HydrophobicContact CD1-CE3 3.76Å; F126-W131 HydrophobicContact CE1-CE3 4.05Å; F126-W131 WeakPolarHBondContact O-CA 3.36Å; F126-W131 PolarHBondContact O-N 3.1Å; F129-W131 HydrophobicContact CB-CD2 3.79Å; F129-W131 HydrophobicContact CB-CE3 4.21Å; F129-W131 HydrophobicContact CB-CG 4.16Å; F129-W131 HydrophobicContact CB-CH2 4.04Å; F129-W131 HydrophobicContact CB-CZ2 3.77Å; F129-W131 HydrophobicContact CB-CZ3 4.28Å; F129-W131 HydrophobicContact CD2-CH2 4.26Å; F129-W131 HydrophobicContact CD2-CZ3 4.39Å; F129-W131 HydrophobicContact CG-CH2 4.12Å; F129-W131 HydrophobicContact CG-CZ2 4.17Å; F129-W131 PolarHBondContact O-N 3.14Å; F129-W131 PolarHBondContact O-NE1 2.83Å; W131-D133 PolarHBondContact O-N 3.4Å; W131-D133 VanDerWaalsContact O-N 3.08Å; W131-I134 HydrophobicContact CB-CB 4.26Å; W131-I134 HydrophobicContact CB-CD1 3.67Å; W131-I134 HydrophobicContact CB-CG1 3.84Å; W131-I134 HydrophobicContact CD2-CD1 3.88Å; W131-I134 HydrophobicContact CG-CD1 3.42Å; W131-I134 VanDerWaalsContact CG-CD1 3.42Å; W131-I134 HydrophobicContact CG-CG1 4.1Å; W131-I134 PolarHBondContact O-N 3.33Å
132K44.1Very low39.1Very low133 Ų13396.5 Ų96.558%0.57852%0.524SS*.G310 helixtrans-52.3-31.8174.5-82.7-168.6178.4-174.50112.5I127 G130I127-K132 HydrophobicContact CG1-CD 4.34Å; I127-K132 HydrophobicContact CG1-CG 4.07Å; G130-K132 VanDerWaalsContact C-N 3.33Å; G130-K132 PolarHBondContact O-N 3.01Å
133D41.1Very low38.7Very low153 Ų15399.7 Ų99.782%0.81854%0.544SS*.G310 helixtrans-86.9-7.5178.7-76.8-30.8000114.7W131 R135W131-D133 PolarHBondContact O-N 3.4Å; W131-D133 VanDerWaalsContact O-N 3.08Å; D133-R135 PolarHBondContact O-N 3.26Å
134I39.7Very low38.5Very low41 Ų4198.6 Ų98.621%0.2155%0.549CS..  trans-7581.5164.5-50-175.2000105V60 W131 V136V60-I134 HydrophobicContact CG2-CD1 4.24Å; W131-I134 HydrophobicContact CB-CB 4.26Å; W131-I134 HydrophobicContact CB-CD1 3.67Å; W131-I134 HydrophobicContact CB-CG1 3.84Å; W131-I134 HydrophobicContact CD2-CD1 3.88Å; W131-I134 HydrophobicContact CG-CD1 3.42Å; W131-I134 VanDerWaalsContact CG-CD1 3.42Å; W131-I134 HydrophobicContact CG-CG1 4.1Å; W131-I134 PolarHBondContact O-N 3.33Å; I134-V136 PolarHBondContact O-N 3.45Å
135R38.5Very low38.6Very low217 Ų21799.6 Ų99.682%0.81956%0.556SS**  trans-45.5107.1152.6-72.2-174.5-122.6-173.7-0.5103.8D133 V137D133-R135 PolarHBondContact O-N 3.26Å; R135-V137 WeakPolarHBondContact O-CG2 3.43Å; R135-V137 PolarHBondContact O-N 2.98Å
136V37Very low38.2Very low75 Ų75104.6 Ų104.646%0.45559%0.585SS.*  trans-60.892.2166.7178.80000102.4F126 I134 K138F126-V136 HydrophobicContact CE2-CG2 4.1Å; F126-V136 HydrophobicContact CZ-CG2 3.84Å; I134-V136 PolarHBondContact O-N 3.45Å; V136-K138 VanDerWaalsContact C-N 3.25Å; V136-K138 PolarHBondContact O-N 3.23Å
137V31.7Very low37.7Very low108 Ų108109.6 Ų109.666%0.65562%0.616SS**  trans-58.6105.5172.1-174.10000101.4R135 S139R135-V137 WeakPolarHBondContact O-CG2 3.43Å; R135-V137 PolarHBondContact O-N 2.98Å; V137-S139 VanDerWaalsContact C-N 3.3Å; V137-S139 PolarHBondContact O-N 3.4Å
138K29.9Very low37.7Very low194 Ų194112.9 Ų112.984%0.84364%0.637SS**  trans-49111.6161.9-96.4-178.3170.1-179.80103.8V136 G140V136-K138 VanDerWaalsContact C-N 3.25Å; V136-K138 PolarHBondContact O-N 3.23Å; K138-G140 PolarHBondContact O-N 3.29Å
139S29.6Very low37.5Very low123 Ų123108.1 Ų108.186%0.8663%0.628SS**  trans-58.593.1161.7-510000104.9V137V137-S139 VanDerWaalsContact C-N 3.3Å; V137-S139 PolarHBondContact O-N 3.4Å
140G29.1Very low37.1Very low145 Ų145114.5 Ų114.5100%1.49567%0.67SS**  trans-74.40155.700000108.8K138K138-G140 PolarHBondContact O-N 3.29Å

Retrieved 140 of 140 residues in 127.7 ms (Link to these results)

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