A0A024J4R7_HUMAN Loading...

MHC class II antigen

AlphaFold DB (A0A286MCG6), UniProt , Accession A0A024J4R7, Species HUMAN (Homo sapiens, Human), Gene HLA-DRB1, Length 89 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
1R84.3Confident95.7Very high286 Ų286109 Ų109100%1.07948%0.475SS*.  0133.30179.7176.8-179.8-1780.6107.3
2F91.4Very high95.7Very high152 Ų152105.9 Ų105.967%0.66746%0.462SS*.  trans-93.3146.1177.4-60.8-79.1000110.6Y27 N28F2-Y27 AromaticContact CD1-CE1 3.99Å; F2-Y27 HydrophobicContact CD1-CE1 3.99Å; F2-Y27 HydrophobicContact CD1-CE2 4.37Å; F2-Y27 AromaticContact CD1-CZ 3.52Å; F2-Y27 WeakPolarHBondContact CD1-OH 3.48Å; F2-Y27 HydrophobicContact CE1-CE1 4.37Å; F2-Y27 VanDerWaalsContact CE1-OH 3.24Å; F2-Y27 WeakPolarHBondContact CE1-OH 3.47Å; F2-N28 WeakPolarHBondContact CA-OD1 3.25Å; F2-N28 WeakPolarHBondContact CD1-ND2 3.5Å
3L96.3Very high95.7Very high88 Ų88106.2 Ų106.246%0.46146%0.463SS..  trans-138.3120.3178.2177.960000109.8Q5 N28L3-Q5 HydrophobicContact CD1-CG 3.98Å; L3-Q5 HydrophobicContact CD2-CG 4.21Å; L3-Q5 HydrophobicContact CG-CG 3.85Å; L3-N28 PolarHBondContact N-OD1 2.89Å; L3-N28 PolarHBondContact O-N 2.91Å
4W96.1Very high95.4Very high150 Ų150108.6 Ų108.657%0.56848%0.483SS*.EExtended strand (participates in β ladder)trans-106.6131.6172.2-176.291.7000109.3P6 Y25 F26W4-P6 HydrophobicContact CE3-CG 4.48Å; W4-P6 HydrophobicContact CH2-CB 4.07Å; W4-P6 HydrophobicContact CH2-CG 4.03Å; W4-P6 HydrophobicContact CZ3-CB 4.22Å; W4-P6 HydrophobicContact CZ3-CG 3.7Å; W4-Y25 AromaticContact CH2-CD1 3.92Å; W4-Y25 HydrophobicContact CH2-CD1 3.92Å; W4-Y25 AromaticContact CH2-CE1 3.93Å; W4-Y25 HydrophobicContact CH2-CE1 3.93Å; W4-Y25 AromaticContact CZ2-CD1 3.35Å; W4-Y25 HydrophobicContact CZ2-CD1 3.35Å; W4-Y25 AromaticContact CZ2-CE1 3.72Å; W4-Y25 HydrophobicContact CZ2-CE1 3.72Å; W4-F26 CarbonylContact C-O 3.49Å; W4-F26 WeakPolarHBondContact CA-O 3.4Å
5Q97.8Very high95Very high67 Ų67103.3 Ų103.331%0.31347%0.472SS..EExtended strand (participates in β ladder)trans-139.7123.6-175.2-72.5170.689.300111.3L3 F26L3-Q5 HydrophobicContact CD1-CG 3.98Å; L3-Q5 HydrophobicContact CD2-CG 4.21Å; L3-Q5 HydrophobicContact CG-CG 3.85Å; Q5-F26 HydrophobicContact CB-CB 4.32Å; Q5-F26 PolarHBondContact N-O 3.45Å; Q5-F26 WeakPolarHBondContact O-CD2 3.04Å; Q5-F26 PolarHBondContact O-N 2.97Å
6P97.2Very high95Very high57 Ų57100.6 Ų100.637%0.3747%0.465SS..EExtended strand (participates in β ladder)trans-90.1145.1166.334.2-29.2000110.8W4 R24 Y25W4-P6 HydrophobicContact CE3-CG 4.48Å; W4-P6 HydrophobicContact CH2-CB 4.07Å; W4-P6 HydrophobicContact CH2-CG 4.03Å; W4-P6 HydrophobicContact CZ3-CB 4.22Å; W4-P6 HydrophobicContact CZ3-CG 3.7Å; P6-R24 CarbonylContact C-O 3.6Å; P6-R24 WeakPolarHBondContact CA-O 3.5Å; P6-Y25 HydrophobicContact CB-CD1 4.16Å; P6-Y25 HydrophobicContact CB-CE1 4.05Å
7K98.1Very high95Very high100 Ų100102.7 Ų102.744%0.43548%0.475SS..EExtended strand (participates in β ladder)trans-130.7120.1170.1-67.6-168176.3-176.50110.4E9 D23 R24 F26K7-E9 HydrophobicContact CB-CG 4.3Å; K7-D23 WeakPolarHBondContact O-CA 3.23Å; K7-R24 HydrophobicContact CB-CB 4.37Å; K7-R24 PolarHBondContact N-O 3.46Å; K7-R24 PolarHBondContact O-N 3.12Å; K7-F26 HydrophobicContact CB-CE2 4.11Å; K7-F26 HydrophobicContact CD-CD2 4.49Å; K7-F26 HydrophobicContact CD-CE2 3.76Å; K7-F26 HydrophobicContact CD-CZ 4.28Å; K7-F26 HydrophobicContact CG-CD2 4.29Å; K7-F26 HydrophobicContact CG-CE2 3.86Å
8R97.9Very high95.1Very high149 Ų149106.6 Ų106.656%0.56249%0.485SS*.EExtended strand (participates in β ladder)trans-104.5106.3172.4-66.4172.8-159132.52.3107.9F21 L22 D23 Y73R8-F21 HydrophobicContact CB-CE2 4.07Å; R8-F21 HydrophobicContact CB-CZ 4.48Å; R8-F21 HydrophobicContact CG-CE2 4.44Å; R8-F21 HydrophobicContact CG-CZ 4.36Å; R8-L22 CarbonylContact C-O 3.56Å; R8-L22 WeakPolarHBondContact CA-O 3.41Å; R8-D23 VanDerWaalsContact CG-OD1 3.31Å; R8-D23 WeakPolarHBondContact CG-OD1 3.37Å; R8-Y73 HydrophobicContact CB-CE1 4.32Å
9E98.4Very high95.3Very high43 Ų43101.7 Ų101.720%0.20146%0.464CS..EExtended strand (participates in β ladder)trans-111.6138.4-174.5-53.2174.4-157.700109.8K7 H11 F21 L22 R24K7-E9 HydrophobicContact CB-CG 4.3Å; E9-H11 IonicContact OE2-CE1 3.78Å; E9-H11 IonicContact OE2-NE2 3.01Å; E9-H11 PolarHBondContact OE2-NE2 3.03Å; E9-F21 WeakPolarHBondContact O-CA 3.45Å; E9-F21 WeakPolarHBondContact O-CD2 3.47Å; E9-L22 HydrophobicContact CB-CB 4.24Å; E9-L22 PolarHBondContact N-O 3.35Å; E9-L22 PolarHBondContact O-N 3.33Å; E9-R24 WeakPolarHBondContact OE1-CD 3.45Å; E9-R24 IonicContact OE1-CZ 3.83Å; E9-R24 IonicContact OE1-NE 3.99Å; E9-R24 IonicContact OE1-NH1 2.89Å; E9-R24 PolarHBondContact OE1-NH1 3.38Å; E9-R24 IonicContact OE2-NH1 3.88Å
10C98.1Very high95.4Very high34 Ų34100.4 Ų100.423%0.2346%0.455CS..EExtended strand (participates in β ladder)trans-119.9117.9173.1-630000108.5F12 R20 C74C10-F12 HydrophobicContact CB-CD2 4.29Å; C10-F12 HydrophobicContact CB-CE2 3.41Å; C10-F12 VanDerWaalsContact CB-CE2 3.41Å; C10-F12 HydrophobicContact CB-CZ 3.56Å; C10-F12 WeakPolarHBondContact O-CD2 3.42Å; C10-R20 WeakPolarHBondContact CA-O 3.44Å; C10-C74 HydrophobicContact CB-CB 3.63Å; C10-C74 WeakPolarHBondContact CB-SG 3.42Å; C10-C74 WeakPolarHBondContact SG-CA 3.49Å; C10-C74 WeakPolarHBondContact SG-CB 3.39Å; C10-C74 CovalentContact SG-SG 2.03Å; C10-C74 PolarHBondContact SG-SG 3.02Å
11H97.4Very high95.6Very high73 Ų7396 Ų9634%0.33844%0.435SS..EExtended strand (participates in β ladder)trans-104.9116.2179.4-67-108.3000108.6E9 F13 V19 R20E9-H11 IonicContact OE2-CE1 3.78Å; E9-H11 IonicContact OE2-NE2 3.01Å; E9-H11 PolarHBondContact OE2-NE2 3.03Å; H11-F13 HydrophobicContact CB-CE2 4.07Å; H11-F13 HydrophobicContact CB-CZ 4.4Å; H11-V19 WeakPolarHBondContact O-CA 3.4Å; H11-R20 HydrophobicContact CB-CB 4.29Å; H11-R20 PolarHBondContact N-O 3.14Å; H11-R20 PolarHBondContact O-N 2.97Å
12F95.8Very high96.3Very high72 Ų7282.9 Ų82.932%0.31639%0.386SS..EExtended strand (participates in β ladder)trans-106.2130.2-173.7-62.9-84.3000110.5C10 G15 T16 V19 C74 Y78C10-F12 HydrophobicContact CB-CD2 4.29Å; C10-F12 HydrophobicContact CB-CE2 3.41Å; C10-F12 VanDerWaalsContact CB-CE2 3.41Å; C10-F12 HydrophobicContact CB-CZ 3.56Å; C10-F12 WeakPolarHBondContact O-CD2 3.42Å; F12-G15 WeakPolarHBondContact CB-O 3.42Å; F12-T16 HydrophobicContact CD1-CG2 4.38Å; F12-V19 HydrophobicContact CD1-CB 4.49Å; F12-V19 HydrophobicContact CD1-CG1 4.03Å; F12-V19 HydrophobicContact CD1-CG2 3.76Å; F12-V19 HydrophobicContact CE1-CG1 3.82Å; F12-V19 HydrophobicContact CE1-CG2 4.06Å; F12-C74 HydrophobicContact CE1-CB 4.19Å; F12-C74 HydrophobicContact CZ-CB 3.99Å; F12-C74 WeakPolarHBondContact CZ-O 3.48Å; F12-Y78 HydrophobicContact CB-CE2 4.42Å; F12-Y78 AromaticContact CD1-CD2 3.6Å; F12-Y78 HydrophobicContact CD1-CD2 3.6Å; F12-Y78 HydrophobicContact CD1-CE2 4.19Å; F12-Y78 HydrophobicContact CD1-CG 4.13Å; F12-Y78 AromaticContact CD2-CD2 3.99Å; F12-Y78 HydrophobicContact CD2-CD2 3.99Å; F12-Y78 HydrophobicContact CD2-CE2 4.48Å; F12-Y78 AromaticContact CE1-CD2 3.64Å; F12-Y78 HydrophobicContact CE1-CD2 3.64Å; F12-Y78 AromaticContact CE1-CG 3.87Å; F12-Y78 HydrophobicContact CE1-CG 3.87Å; F12-Y78 HydrophobicContact CE2-CD2 4Å; F12-Y78 AromaticContact CG-CD2 3.8Å; F12-Y78 HydrophobicContact CG-CD2 3.8Å; F12-Y78 HydrophobicContact CG-CE2 4.12Å; F12-Y78 AromaticContact CZ-CD2 3.84Å; F12-Y78 HydrophobicContact CZ-CD2 3.84Å; F12-Y78 HydrophobicContact CZ-CG 4.22Å
13F94.9Very high96.6Very high110 Ų11076.3 Ų76.348%0.48236%0.358SS..EExtended strand (participates in β ladder)trans-124.6128.5176.3-55-89.8000109.4H11 R18H11-F13 HydrophobicContact CB-CE2 4.07Å; H11-F13 HydrophobicContact CB-CZ 4.4Å; F13-R18 HydrophobicContact CB-CB 4.18Å; F13-R18 HydrophobicContact CD2-CB 4.48Å; F13-R18 PolarHBondContact N-O 3.19Å; F13-R18 PolarHBondContact O-N 2.89Å
14N92.3Very high96.7Very high139 Ų13974.6 Ų74.674%0.74335%0.345SS*.THydrogen-bonded Turntrans50.555.5-174.8-61-18.5000112.2T16 E17N14-T16 PolarHBondContact O-N 3.48Å; N14-E17 HydrophobicContact CB-CB 4.38Å; N14-E17 WeakPolarHBondContact CB-OE2 3.26Å; N14-E17 PolarHBondContact ND2-OE2 2.89Å
15G89.6Confident96.8Very high30 Ų3068.7 Ų68.731%0.30932%0.323SS..THydrogen-bonded Turntrans71.2-123.6-171.800000110.8F12F12-G15 WeakPolarHBondContact CB-O 3.42Å
16T95Very high96.8Very high59 Ų5966.5 Ų66.536%0.36231%0.313SS..THydrogen-bonded Turntrans-106.29-178.2560000113.9F12 N14 R18 R75 Y78F12-T16 HydrophobicContact CD1-CG2 4.38Å; N14-T16 PolarHBondContact O-N 3.48Å; T16-R18 PolarHBondContact O-N 2.98Å; T16-R75 HydrophobicContact CG2-CG 4.43Å; T16-R75 PolarHBondContact O-NE 3.16Å; T16-Y78 HydrophobicContact CG2-CD1 3.37Å; T16-Y78 HydrophobicContact CG2-CD2 4.45Å; T16-Y78 HydrophobicContact CG2-CE1 3.8Å; T16-Y78 HydrophobicContact CG2-CG 3.75Å
17E94.3Very high96.8Very high137 Ų13767.8 Ų67.864%0.6431%0.311SS*.THydrogen-bonded Turntrans-57.1-49.5178.1-173.4-173.6179.100110.6N14N14-E17 HydrophobicContact CB-CB 4.38Å; N14-E17 WeakPolarHBondContact CB-OE2 3.26Å; N14-E17 PolarHBondContact ND2-OE2 2.89Å
18R97.3Very high96.6Very high172 Ų17266.1 Ų66.165%0.64931%0.306SS*.EExtended strand (participates in β ladder)trans-125.2123.9173.3-65.6179.965.6-170.3-0.7109.6F13 T16F13-R18 HydrophobicContact CB-CB 4.18Å; F13-R18 HydrophobicContact CD2-CB 4.48Å; F13-R18 PolarHBondContact N-O 3.19Å; F13-R18 PolarHBondContact O-N 2.89Å; T16-R18 PolarHBondContact O-N 2.98Å
19V98.2Very high96.5Very high14 Ų1467.1 Ų67.19%0.08532%0.317CS..EExtended strand (participates in β ladder)trans-130.2128.7-178.1-175.80000108.4H11 F12 V70 C74 R75H11-V19 WeakPolarHBondContact O-CA 3.4Å; F12-V19 HydrophobicContact CD1-CB 4.49Å; F12-V19 HydrophobicContact CD1-CG1 4.03Å; F12-V19 HydrophobicContact CD1-CG2 3.76Å; F12-V19 HydrophobicContact CE1-CG1 3.82Å; F12-V19 HydrophobicContact CE1-CG2 4.06Å; V19-V70 HydrophobicContact CB-CG1 3.73Å; V19-V70 HydrophobicContact CG1-CG1 3.85Å; V19-V70 WeakPolarHBondContact O-CG1 3.34Å; V19-C74 HydrophobicContact CG1-CB 3.53Å; V19-R75 HydrophobicContact CG2-CG 3.97Å
20R98.4Very high96.4Very high75 Ų7569.7 Ų69.728%0.28333%0.329SS..EExtended strand (participates in β ladder)trans-115127.6174.3179.8-177.6-179.8-1681.6109.7C10 H11 L22 D36 S37 D38C10-R20 WeakPolarHBondContact CA-O 3.44Å; H11-R20 HydrophobicContact CB-CB 4.29Å; H11-R20 PolarHBondContact N-O 3.14Å; H11-R20 PolarHBondContact O-N 2.97Å; R20-L22 HydrophobicContact CG-CD2 4.43Å; R20-D36 IonicContact CZ-OD1 3.7Å; R20-D36 IonicContact CZ-OD2 3.43Å; R20-D36 IonicContact NE-OD1 2.91Å; R20-D36 PolarHBondContact NE-OD1 2.76Å; R20-D36 IonicContact NE-OD2 3.45Å; R20-D36 PolarHBondContact NE-OD2 3.36Å; R20-D36 IonicContact NH2-OD1 3.67Å; R20-D36 IonicContact NH2-OD2 2.64Å; R20-D36 PolarHBondContact NH2-OD2 3.47Å; R20-S37 WeakPolarHBondContact CA-OG 3.49Å; R20-D38 WeakPolarHBondContact CD-OD2 3.38Å; R20-D38 IonicContact NE-OD2 3.57Å
21F98.8Very high96.5Very high9 Ų969.2 Ų69.24%0.03932%0.324CS..EExtended strand (participates in β ladder)trans-103131.6175.7175.4-111.7000110.2R8 E9 D23 F35 S37 A69 V70 Y73 C74R8-F21 HydrophobicContact CB-CE2 4.07Å; R8-F21 HydrophobicContact CB-CZ 4.48Å; R8-F21 HydrophobicContact CG-CE2 4.44Å; R8-F21 HydrophobicContact CG-CZ 4.36Å; E9-F21 WeakPolarHBondContact O-CA 3.45Å; E9-F21 WeakPolarHBondContact O-CD2 3.47Å; F21-D23 HydrophobicContact CE1-CB 3.86Å; F21-D23 HydrophobicContact CZ-CB 3.86Å; F21-F35 AromaticContact CD1-CD1 3.91Å; F21-F35 HydrophobicContact CD1-CD1 3.91Å; F21-F35 HydrophobicContact CD1-CE1 4.06Å; F21-F35 HydrophobicContact CE1-CD1 4.14Å; F21-S37 PolarHBondContact N-OG 2.91Å; F21-S37 PolarHBondContact O-N 3.18Å; F21-S37 PolarHBondContact O-OG 3.43Å; F21-A69 HydrophobicContact CD1-CB 3.6Å; F21-A69 HydrophobicContact CD2-CB 4.32Å; F21-A69 HydrophobicContact CE1-CB 3.51Å; F21-A69 HydrophobicContact CE2-CB 4.22Å; F21-A69 HydrophobicContact CG-CB 4.01Å; F21-A69 HydrophobicContact CZ-CB 3.83Å; F21-V70 HydrophobicContact CB-CG2 3.94Å; F21-Y73 HydrophobicContact CD2-CD1 4.42Å; F21-Y73 HydrophobicContact CE2-CD1 4.05Å; F21-Y73 HydrophobicContact CE2-CE1 4.44Å; F21-C74 VanDerWaalsContact CD2-SG 3.55Å
22L98.7Very high96.5Very high11 Ų1166 Ų666%0.05831%0.309CS..EExtended strand (participates in β ladder)trans-121.2128.9171.7-58.3176.3000109.3R8 E9 R20 R24 F35 D36R8-L22 CarbonylContact C-O 3.56Å; R8-L22 WeakPolarHBondContact CA-O 3.41Å; E9-L22 HydrophobicContact CB-CB 4.24Å; E9-L22 PolarHBondContact N-O 3.35Å; E9-L22 PolarHBondContact O-N 3.33Å; R20-L22 HydrophobicContact CG-CD2 4.43Å; L22-R24 HydrophobicContact CB-CG 4.07Å; L22-F35 WeakPolarHBondContact CA-O 3.38Å; L22-D36 HydrophobicContact CD2-CB 3.8Å; L22-D36 VanDerWaalsContact CD2-CG 3.48Å; L22-D36 WeakPolarHBondContact CD2-OD1 3.48Å
23D98.5Very high96.6Very high14 Ų1462.5 Ų62.58%0.07529%0.294CS..EExtended strand (participates in β ladder)trans-115.2110.4167.4-167.522.4000108.7K7 R8 F21 Y25 R34 F35K7-D23 WeakPolarHBondContact O-CA 3.23Å; R8-D23 VanDerWaalsContact CG-OD1 3.31Å; R8-D23 WeakPolarHBondContact CG-OD1 3.37Å; F21-D23 HydrophobicContact CE1-CB 3.86Å; F21-D23 HydrophobicContact CZ-CB 3.86Å; D23-Y25 HydrophobicContact CB-CE2 4.43Å; D23-Y25 WeakPolarHBondContact OD2-CE2 3.01Å; D23-Y25 PolarHBondContact OD2-OH 3.41Å; D23-R34 CarbonylContact O-C 3.49Å; D23-R34 VanDerWaalsContact O-CA 3.24Å; D23-R34 WeakPolarHBondContact O-CA 3.41Å; D23-F35 HydrophobicContact CB-CB 4.12Å; D23-F35 PolarHBondContact N-O 3.28Å; D23-F35 PolarHBondContact O-N 2.95Å
24R98.6Very high96.8Very high51 Ų5161.1 Ų61.119%0.19229%0.286CS..EExtended strand (participates in β ladder)trans-122.5134.7-166.1-56.8172.569.5-167.73.6110.4P6 K7 E9 L22 F26 E31 R34P6-R24 CarbonylContact C-O 3.6Å; P6-R24 WeakPolarHBondContact CA-O 3.5Å; K7-R24 HydrophobicContact CB-CB 4.37Å; K7-R24 PolarHBondContact N-O 3.46Å; K7-R24 PolarHBondContact O-N 3.12Å; E9-R24 WeakPolarHBondContact OE1-CD 3.45Å; E9-R24 IonicContact OE1-CZ 3.83Å; E9-R24 IonicContact OE1-NE 3.99Å; E9-R24 IonicContact OE1-NH1 2.89Å; E9-R24 PolarHBondContact OE1-NH1 3.38Å; E9-R24 IonicContact OE2-NH1 3.88Å; L22-R24 HydrophobicContact CB-CG 4.07Å; R24-F26 HydrophobicContact CB-CD2 4.44Å; R24-F26 HydrophobicContact CB-CE2 3.61Å; R24-F26 HydrophobicContact CB-CZ 4.15Å; R24-E31 WeakPolarHBondContact CG-OE1 3.42Å; R24-E31 IonicContact CZ-OE1 3.66Å; R24-E31 IonicContact CZ-OE2 3.47Å; R24-E31 VanDerWaalsContact NE-CD 3.33Å; R24-E31 IonicContact NE-OE1 2.79Å; R24-E31 PolarHBondContact NE-OE1 3.42Å; R24-E31 IonicContact NE-OE2 3.39Å; R24-E31 PolarHBondContact NE-OE2 3.41Å; R24-E31 IonicContact NH2-OE1 3.65Å; R24-E31 IonicContact NH2-OE2 2.7Å; R24-E31 PolarHBondContact NH2-OE2 2.98Å; R24-R34 HydrophobicContact CG-CB 4.39Å; R24-R34 HydrophobicContact CG-CG 3.9Å
25Y98.2Very high97.1Very high27 Ų2754.5 Ų54.511%0.10625%0.25CS..EExtended strand (participates in β ladder)trans-118.5126.9-177.3-64-91.2000110.2W4 P6 D23 E31 S32 V33 F42 W56W4-Y25 AromaticContact CH2-CD1 3.92Å; W4-Y25 HydrophobicContact CH2-CD1 3.92Å; W4-Y25 AromaticContact CH2-CE1 3.93Å; W4-Y25 HydrophobicContact CH2-CE1 3.93Å; W4-Y25 AromaticContact CZ2-CD1 3.35Å; W4-Y25 HydrophobicContact CZ2-CD1 3.35Å; W4-Y25 AromaticContact CZ2-CE1 3.72Å; W4-Y25 HydrophobicContact CZ2-CE1 3.72Å; P6-Y25 HydrophobicContact CB-CD1 4.16Å; P6-Y25 HydrophobicContact CB-CE1 4.05Å; D23-Y25 HydrophobicContact CB-CE2 4.43Å; D23-Y25 WeakPolarHBondContact OD2-CE2 3.01Å; D23-Y25 PolarHBondContact OD2-OH 3.41Å; Y25-E31 CarbonylContact O-C 3.53Å; Y25-E31 WeakPolarHBondContact O-CA 3.27Å; Y25-S32 PolarHBondContact O-N 2.84Å; Y25-S32 PolarHBondContact O-OG 3.24Å; Y25-V33 HydrophobicContact CD2-CG1 3.84Å; Y25-V33 HydrophobicContact CG-CG1 3.98Å; Y25-V33 PolarHBondContact N-O 3.06Å; Y25-F42 HydrophobicContact CE2-CE1 4.25Å; Y25-W56 HydrophobicContact CD1-CH2 4.12Å; Y25-W56 AromaticContact CD2-CH2 3.79Å; Y25-W56 HydrophobicContact CD2-CH2 3.79Å; Y25-W56 AromaticContact CD2-CZ3 3.69Å; Y25-W56 HydrophobicContact CD2-CZ3 3.69Å; Y25-W56 AromaticContact CE1-CH2 3.9Å; Y25-W56 HydrophobicContact CE1-CH2 3.9Å; Y25-W56 AromaticContact CE2-CH2 3.6Å; Y25-W56 HydrophobicContact CE2-CH2 3.6Å; Y25-W56 AromaticContact CE2-CZ3 3.52Å; Y25-W56 HydrophobicContact CE2-CZ3 3.52Å; Y25-W56 HydrophobicContact CG-CH2 4.05Å; Y25-W56 HydrophobicContact CG-CZ3 4.35Å; Y25-W56 AromaticContact CZ-CH2 3.65Å
26F98.2Very high97.6Very high21 Ų2153.7 Ų53.79%0.09224%0.239CC..EExtended strand (participates in β ladder)trans-118.9135.8-175.5-61.2-98.5000111.6W4 Q5 K7 R24 E30 E31W4-F26 CarbonylContact C-O 3.49Å; W4-F26 WeakPolarHBondContact CA-O 3.4Å; Q5-F26 HydrophobicContact CB-CB 4.32Å; Q5-F26 PolarHBondContact N-O 3.45Å; Q5-F26 WeakPolarHBondContact O-CD2 3.04Å; Q5-F26 PolarHBondContact O-N 2.97Å; K7-F26 HydrophobicContact CB-CE2 4.11Å; K7-F26 HydrophobicContact CD-CD2 4.49Å; K7-F26 HydrophobicContact CD-CE2 3.76Å; K7-F26 HydrophobicContact CD-CZ 4.28Å; K7-F26 HydrophobicContact CG-CD2 4.29Å; K7-F26 HydrophobicContact CG-CE2 3.86Å; R24-F26 HydrophobicContact CB-CD2 4.44Å; R24-F26 HydrophobicContact CB-CE2 3.61Å; R24-F26 HydrophobicContact CB-CZ 4.15Å; F26-E30 CarbonylContact C-O 3.57Å; F26-E30 VanDerWaalsContact CA-O 3.22Å; F26-E30 WeakPolarHBondContact CA-O 3.42Å; F26-E31 HydrophobicContact CD1-CB 3.79Å; F26-E31 HydrophobicContact CD1-CG 4.45Å; F26-E31 HydrophobicContact CE1-CB 3.62Å; F26-E31 HydrophobicContact CE1-CG 4.12Å; F26-E31 HydrophobicContact CZ-CB 4.29Å; F26-E31 HydrophobicContact CZ-CG 4.3Å
27Y96Very high97.7Very high84 Ų8452.2 Ų52.233%0.32923%0.231SC..EExtended strand (participates in β ladder)trans-115.9115.1168-170.7-100.7000109.3F2 Q29 E30 L48F2-Y27 AromaticContact CD1-CE1 3.99Å; F2-Y27 HydrophobicContact CD1-CE1 3.99Å; F2-Y27 HydrophobicContact CD1-CE2 4.37Å; F2-Y27 AromaticContact CD1-CZ 3.52Å; F2-Y27 WeakPolarHBondContact CD1-OH 3.48Å; F2-Y27 HydrophobicContact CE1-CE1 4.37Å; F2-Y27 VanDerWaalsContact CE1-OH 3.24Å; F2-Y27 WeakPolarHBondContact CE1-OH 3.47Å; Y27-Q29 PolarHBondContact O-N 3.39Å; Y27-E30 PolarHBondContact N-O 3.01Å; Y27-E30 WeakPolarHBondContact O-CB 3.33Å; Y27-E30 PolarHBondContact O-N 2.79Å; Y27-L48 HydrophobicContact CD1-CD2 4.17Å; Y27-L48 HydrophobicContact CG-CD2 4.17Å
28N95Very high97.9Very high64 Ų6450.9 Ų50.934%0.34223%0.228SC..THydrogen-bonded Turntrans50.240.9-178.1-65.8-26.3000114.6F2 L3 E30F2-N28 WeakPolarHBondContact CA-OD1 3.25Å; F2-N28 WeakPolarHBondContact CD1-ND2 3.5Å; L3-N28 PolarHBondContact N-OD1 2.89Å; L3-N28 PolarHBondContact O-N 2.91Å; N28-E30 PolarHBondContact O-N 2.7Å
29Q94.8Very high98Very high170 Ų17046.1 Ų46.179%0.79422%0.218SC*.THydrogen-bonded Turntrans77.9-7.9-176.8-47.1169.548.300115.2Y27Y27-Q29 PolarHBondContact O-N 3.39Å
30E97.3Very high98Very high97 Ų9746 Ų4645%0.45322%0.22SC..EExtended strand (participates in β ladder)trans-83120.8170.7-174.3-176.8147.700109.3F26 Y27 N28 S32 T46F26-E30 CarbonylContact C-O 3.57Å; F26-E30 VanDerWaalsContact CA-O 3.22Å; F26-E30 WeakPolarHBondContact CA-O 3.42Å; Y27-E30 PolarHBondContact N-O 3.01Å; Y27-E30 WeakPolarHBondContact O-CB 3.33Å; Y27-E30 PolarHBondContact O-N 2.79Å; N28-E30 PolarHBondContact O-N 2.7Å; E30-S32 PolarHBondContact O-N 2.92Å; E30-T46 HydrophobicContact CG-CG2 3.84Å; E30-T46 WeakPolarHBondContact OE1-CB 3.15Å; E30-T46 WeakPolarHBondContact OE1-CG2 3.26Å; E30-T46 PolarHBondContact OE1-OG1 2.91Å
31E98.4Very high98Very high24 Ų2445.6 Ų45.611%0.11222%0.221CC..EExtended strand (participates in β ladder)trans-72.9116.9172.6-173.7175.6-169.900108.9R24 Y25 F26 R34 V45 T46R24-E31 WeakPolarHBondContact CG-OE1 3.42Å; R24-E31 IonicContact CZ-OE1 3.66Å; R24-E31 IonicContact CZ-OE2 3.47Å; R24-E31 VanDerWaalsContact NE-CD 3.33Å; R24-E31 IonicContact NE-OE1 2.79Å; R24-E31 PolarHBondContact NE-OE1 3.42Å; R24-E31 IonicContact NE-OE2 3.39Å; R24-E31 PolarHBondContact NE-OE2 3.41Å; R24-E31 IonicContact NH2-OE1 3.65Å; R24-E31 IonicContact NH2-OE2 2.7Å; R24-E31 PolarHBondContact NH2-OE2 2.98Å; Y25-E31 CarbonylContact O-C 3.53Å; Y25-E31 WeakPolarHBondContact O-CA 3.27Å; F26-E31 HydrophobicContact CD1-CB 3.79Å; F26-E31 HydrophobicContact CD1-CG 4.45Å; F26-E31 HydrophobicContact CE1-CB 3.62Å; F26-E31 HydrophobicContact CE1-CG 4.12Å; F26-E31 HydrophobicContact CZ-CB 4.29Å; F26-E31 HydrophobicContact CZ-CG 4.3Å; E31-R34 WeakPolarHBondContact OE1-CB 3.46Å; E31-R34 WeakPolarHBondContact OE1-CD 3.35Å; E31-R34 IonicContact OE1-NE 2.76Å; E31-R34 IonicContact OE1-NH1 3.91Å; E31-V45 HydrophobicContact CB-CG1 4.27Å; E31-V45 HydrophobicContact CG-CB 4.26Å; E31-V45 HydrophobicContact CG-CG1 4.37Å; E31-V45 HydrophobicContact CG-CG2 3.97Å; E31-V45 WeakPolarHBondContact O-CB 3.36Å; E31-V45 WeakPolarHBondContact O-CG1 3.22Å; E31-T46 WeakPolarHBondContact O-CG2 3.32Å
32S98.1Very high98Very high5 Ų545.5 Ų45.54%0.03522%0.221CC..EExtended strand (participates in β ladder)trans-94-41.7-17758.70000112.4Y25 E30 V45 T46 G49Y25-S32 PolarHBondContact O-N 2.84Å; Y25-S32 PolarHBondContact O-OG 3.24Å; E30-S32 PolarHBondContact O-N 2.92Å; S32-V45 PolarHBondContact O-N 3.47Å; S32-T46 PolarHBondContact O-N 3Å; S32-G49 WeakPolarHBondContact O-CA 3.32Å
33V98.6Very high98Very high0 Ų051.7 Ų51.70%024%0.244CC..EExtended strand (participates in β ladder)trans-145.8146.9-177.5600000110.9Y25 F42 R43 D52 A53 W56Y25-V33 HydrophobicContact CD2-CG1 3.84Å; Y25-V33 HydrophobicContact CG-CG1 3.98Å; Y25-V33 PolarHBondContact N-O 3.06Å; V33-F42 HydrophobicContact CG2-CB 4.24Å; V33-F42 HydrophobicContact CG2-CD1 4.28Å; V33-R43 WeakPolarHBondContact CA-O 3.42Å; V33-D52 HydrophobicContact CG1-CB 4.21Å; V33-A53 HydrophobicContact CG2-CB 4.02Å; V33-W56 HydrophobicContact CG1-CH2 4.1Å; V33-W56 HydrophobicContact CG1-CZ3 3.65Å; V33-W56 HydrophobicContact CG2-CE3 4.27Å; V33-W56 HydrophobicContact CG2-CZ3 4.07Å
34R98.7Very high98Very high80 Ų8053.1 Ų53.130%0.30226%0.257SS..EExtended strand (participates in β ladder)trans-143.2137179.9171.4176.661.8-162-3.4112.3D23 R24 E31 F42 R43 V45D23-R34 CarbonylContact O-C 3.49Å; D23-R34 VanDerWaalsContact O-CA 3.24Å; D23-R34 WeakPolarHBondContact O-CA 3.41Å; R24-R34 HydrophobicContact CG-CB 4.39Å; R24-R34 HydrophobicContact CG-CG 3.9Å; E31-R34 WeakPolarHBondContact OE1-CB 3.46Å; E31-R34 WeakPolarHBondContact OE1-CD 3.35Å; E31-R34 IonicContact OE1-NE 2.76Å; E31-R34 IonicContact OE1-NH1 3.91Å; R34-F42 CarbonylContact O-C 3.48Å; R34-F42 WeakPolarHBondContact O-CA 3.47Å; R34-R43 PolarHBondContact N-O 3.22Å; R34-R43 PolarHBondContact O-N 3.39Å; R34-V45 HydrophobicContact CB-CG2 4.11Å
35F98.8Very high98Very high0 Ų053.8 Ų53.80%027%0.267CS..EExtended strand (participates in β ladder)trans-92137.9155.5-177.9-92.3000110.1F21 L22 D23 G40 F42 L63 A66 R67F21-F35 AromaticContact CD1-CD1 3.91Å; F21-F35 HydrophobicContact CD1-CD1 3.91Å; F21-F35 HydrophobicContact CD1-CE1 4.06Å; F21-F35 HydrophobicContact CE1-CD1 4.14Å; L22-F35 WeakPolarHBondContact CA-O 3.38Å; D23-F35 HydrophobicContact CB-CB 4.12Å; D23-F35 PolarHBondContact N-O 3.28Å; D23-F35 PolarHBondContact O-N 2.95Å; F35-G40 VanDerWaalsContact CE2-C 3.47Å; F35-F42 HydrophobicContact CB-CD1 3.62Å; F35-F42 HydrophobicContact CB-CD2 4.43Å; F35-F42 HydrophobicContact CB-CE1 3.53Å; F35-F42 HydrophobicContact CB-CE2 4.31Å; F35-F42 HydrophobicContact CB-CG 4.11Å; F35-F42 HydrophobicContact CB-CZ 3.89Å; F35-F42 AromaticContact CD2-CD2 3.95Å; F35-F42 HydrophobicContact CD2-CD2 3.95Å; F35-F42 AromaticContact CD2-CE2 3.92Å; F35-F42 HydrophobicContact CD2-CE2 3.92Å; F35-F42 HydrophobicContact CD2-CG 4.31Å; F35-F42 HydrophobicContact CD2-CZ 4.28Å; F35-F42 HydrophobicContact CG-CE1 4.45Å; F35-F42 HydrophobicContact CG-CE2 4.46Å; F35-F42 HydrophobicContact CG-CZ 4.36Å; F35-L63 HydrophobicContact CD2-CD1 4.48Å; F35-L63 HydrophobicContact CE2-CD1 3.99Å; F35-A66 HydrophobicContact CD1-CB 4.02Å; F35-A66 HydrophobicContact CD2-CB 3.73Å; F35-A66 HydrophobicContact CE1-CB 3.94Å; F35-A66 VanDerWaalsContact CE1-O 3.3Å; F35-A66 WeakPolarHBondContact CE1-O 3.38Å; F35-A66 HydrophobicContact CE2-CB 3.65Å; F35-A66 HydrophobicContact CG-CB 3.93Å; F35-A66 HydrophobicContact CZ-CB 3.76Å; F35-R67 HydrophobicContact CE2-CG 4.22Å; F35-R67 HydrophobicContact CZ-CB 4.44Å; F35-R67 HydrophobicContact CZ-CG 3.8Å
36D98.8Very high98Very high14 Ų1454 Ų548%0.07527%0.271CS..EExtended strand (participates in β ladder)trans-130.6121.8174.4-175.5-10.1000108.8R20 L22 D38 V39 G40R20-D36 IonicContact CZ-OD1 3.7Å; R20-D36 IonicContact CZ-OD2 3.43Å; R20-D36 IonicContact NE-OD1 2.91Å; R20-D36 PolarHBondContact NE-OD1 2.76Å; R20-D36 IonicContact NE-OD2 3.45Å; R20-D36 PolarHBondContact NE-OD2 3.36Å; R20-D36 IonicContact NH2-OD1 3.67Å; R20-D36 IonicContact NH2-OD2 2.64Å; R20-D36 PolarHBondContact NH2-OD2 3.47Å; L22-D36 HydrophobicContact CD2-CB 3.8Å; L22-D36 VanDerWaalsContact CD2-CG 3.48Å; L22-D36 WeakPolarHBondContact CD2-OD1 3.48Å; D36-D38 PolarHBondContact O-N 3.42Å; D36-D38 PolarHBondContact OD1-N 2.82Å; D36-D38 VanDerWaalsContact OD1-N 3.13Å; D36-V39 HydrophobicContact CB-CB 4.27Å; D36-V39 HydrophobicContact CB-CG2 3.97Å; D36-V39 CarbonylContact O-C 3.59Å; D36-V39 PolarHBondContact O-N 2.83Å; D36-G40 PolarHBondContact O-N 2.9Å
37S98.6Very high97.9Very high27 Ų2759.5 Ų59.519%0.18930%0.297CS..THydrogen-bonded Turntrans-60.5-27.1-177.761.60000113.5R20 F21 V39 V70R20-S37 WeakPolarHBondContact CA-OG 3.49Å; F21-S37 PolarHBondContact N-OG 2.91Å; F21-S37 PolarHBondContact O-N 3.18Å; F21-S37 PolarHBondContact O-OG 3.43Å; S37-V39 PolarHBondContact O-N 2.03Å; S37-V70 VanDerWaalsContact CB-CG2 3.47Å
38D98.3Very high97.9Very high109 Ų10960 Ų6058%0.58331%0.305SS*.THydrogen-bonded Turntrans-72.6-22177.3-69.6-4.5000111.8R20 D36R20-D38 WeakPolarHBondContact CD-OD2 3.38Å; R20-D38 IonicContact NE-OD2 3.57Å; D36-D38 PolarHBondContact O-N 3.42Å; D36-D38 PolarHBondContact OD1-N 2.82Å; D36-D38 VanDerWaalsContact OD1-N 3.13Å
39V98.5Very high98.1Very high72 Ų7257 Ų5744%0.43629%0.288SS..THydrogen-bonded Turntrans-96.5-38.5175.7-173.10000110.9D36 S37 E41D36-V39 HydrophobicContact CB-CB 4.27Å; D36-V39 HydrophobicContact CB-CG2 3.97Å; D36-V39 CarbonylContact O-C 3.59Å; D36-V39 PolarHBondContact O-N 2.83Å; S37-V39 PolarHBondContact O-N 2.03Å; V39-E41 HydrophobicContact CG1-CG 4Å
40G98.4Very high98.3Very high12 Ų1254.4 Ų54.412%0.12427%0.272CS..THydrogen-bonded Turntrans81.816.7176.900000115F35 D36 L63 R67F35-G40 VanDerWaalsContact CE2-C 3.47Å; D36-G40 PolarHBondContact O-N 2.9Å; G40-L63 WeakPolarHBondContact O-CD1 3.39Å; G40-R67 VanDerWaalsContact O-CZ 3.29Å; G40-R67 PolarHBondContact O-NE 3.01Å; G40-R67 PolarHBondContact O-NH2 2.64Å
41E98.6Very high98.3Very high66 Ų6653.5 Ų53.531%0.30827%0.274SS..EExtended strand (participates in β ladder)trans-151.6162.8176.875-168.9177.700112.1V39 R43 L63V39-E41 HydrophobicContact CG1-CG 4Å; E41-R43 HydrophobicContact CG-CG 4.19Å; E41-R43 IonicContact OE1-CZ 3.19Å; E41-R43 VanDerWaalsContact OE1-CZ 3.31Å; E41-R43 IonicContact OE1-NE 2.64Å; E41-R43 PolarHBondContact OE1-NE 2.64Å; E41-R43 IonicContact OE1-NH2 3.5Å; E41-R43 PolarHBondContact OE1-NH2 3.37Å; E41-L63 HydrophobicContact CB-CD1 4.3Å
42F98.7Very high98.3Very high7 Ų755.4 Ų55.43%0.03129%0.285CS..EExtended strand (participates in β ladder)trans-76.9134.7171.8-69.2-92.2000110.2Y25 V33 R34 F35 A53 W56 N57 I62 L63 A66Y25-F42 HydrophobicContact CE2-CE1 4.25Å; V33-F42 HydrophobicContact CG2-CB 4.24Å; V33-F42 HydrophobicContact CG2-CD1 4.28Å; R34-F42 CarbonylContact O-C 3.48Å; R34-F42 WeakPolarHBondContact O-CA 3.47Å; F35-F42 HydrophobicContact CB-CD1 3.62Å; F35-F42 HydrophobicContact CB-CD2 4.43Å; F35-F42 HydrophobicContact CB-CE1 3.53Å; F35-F42 HydrophobicContact CB-CE2 4.31Å; F35-F42 HydrophobicContact CB-CG 4.11Å; F35-F42 HydrophobicContact CB-CZ 3.89Å; F35-F42 AromaticContact CD2-CD2 3.95Å; F35-F42 HydrophobicContact CD2-CD2 3.95Å; F35-F42 AromaticContact CD2-CE2 3.92Å; F35-F42 HydrophobicContact CD2-CE2 3.92Å; F35-F42 HydrophobicContact CD2-CG 4.31Å; F35-F42 HydrophobicContact CD2-CZ 4.28Å; F35-F42 HydrophobicContact CG-CE1 4.45Å; F35-F42 HydrophobicContact CG-CE2 4.46Å; F35-F42 HydrophobicContact CG-CZ 4.36Å; F42-A53 HydrophobicContact CB-CB 4.36Å; F42-W56 HydrophobicContact CB-CE3 4.44Å; F42-W56 HydrophobicContact CD1-CD2 4.37Å; F42-W56 AromaticContact CD1-CE3 3.28Å; F42-W56 HydrophobicContact CD1-CE3 3.28Å; F42-W56 AromaticContact CD1-CZ3 3.71Å; F42-W56 HydrophobicContact CD1-CZ3 3.71Å; F42-W56 HydrophobicContact CD2-CB 3.76Å; F42-W56 HydrophobicContact CD2-CE3 4.35Å; F42-W56 HydrophobicContact CE1-CD2 4.3Å; F42-W56 AromaticContact CE1-CE3 3.38Å; F42-W56 HydrophobicContact CE1-CE3 3.38Å; F42-W56 AromaticContact CE1-CZ3 3.67Å; F42-W56 HydrophobicContact CE1-CZ3 3.67Å; F42-W56 HydrophobicContact CE2-CB 4.03Å; F42-W56 HydrophobicContact CE2-CE3 4.47Å; F42-W56 HydrophobicContact CG-CB 4.12Å; F42-W56 AromaticContact CG-CE3 3.78Å; F42-W56 HydrophobicContact CG-CE3 3.78Å; F42-W56 HydrophobicContact CZ-CE3 4.02Å; F42-N57 PolarHBondContact N-OD1 3.03Å; F42-N57 PolarHBondContact O-ND2 3.29Å; F42-I62 HydrophobicContact CE2-CG2 4.02Å; F42-I62 HydrophobicContact CZ-CG2 4.32Å; F42-L63 HydrophobicContact CD2-CD1 4.45Å; F42-A66 HydrophobicContact CE2-CB 4.1Å; F42-A66 HydrophobicContact CZ-CB 4.17Å
43R98.7Very high98.3Very high142 Ų14255.5 Ų55.554%0.53629%0.286SS..EExtended strand (participates in β ladder)trans-126.2134.6172.6-67.7-158.7174.3-179.22111V33 R34 E41 V45V33-R43 WeakPolarHBondContact CA-O 3.42Å; R34-R43 PolarHBondContact N-O 3.22Å; R34-R43 PolarHBondContact O-N 3.39Å; E41-R43 HydrophobicContact CG-CG 4.19Å; E41-R43 IonicContact OE1-CZ 3.19Å; E41-R43 VanDerWaalsContact OE1-CZ 3.31Å; E41-R43 IonicContact OE1-NE 2.64Å; E41-R43 PolarHBondContact OE1-NE 2.64Å; E41-R43 IonicContact OE1-NH2 3.5Å; E41-R43 PolarHBondContact OE1-NH2 3.37Å; R43-V45 PolarHBondContact O-N 2.87Å
44A98.4Very high98.3Very high43 Ų4361.5 Ų61.536%0.35531%0.314SS..EExtended strand (participates in β ladder)trans-62.9125.6166.800000109R50 A53A44-R50 HydrophobicContact CB-CB 4.29Å; A44-A53 HydrophobicContact CB-CB 4.28Å
45V98.3Very high98.3Very high65 Ų6564.1 Ų64.139%0.39433%0.325SS..SBendtrans-88.9-31.5171.7178.50000109.5E31 S32 R34 R43E31-V45 HydrophobicContact CB-CG1 4.27Å; E31-V45 HydrophobicContact CG-CB 4.26Å; E31-V45 HydrophobicContact CG-CG1 4.37Å; E31-V45 HydrophobicContact CG-CG2 3.97Å; E31-V45 WeakPolarHBondContact O-CB 3.36Å; E31-V45 WeakPolarHBondContact O-CG1 3.22Å; S32-V45 PolarHBondContact O-N 3.47Å; R34-V45 HydrophobicContact CB-CG2 4.11Å; R43-V45 PolarHBondContact O-N 2.87Å
46T97.9Very high98.3Very high33 Ų3366.3 Ų66.320%0.20233%0.333CS..SBendtrans-132.9165.9173.274.80000110.4E30 E31 S32 L48 G49E30-T46 HydrophobicContact CG-CG2 3.84Å; E30-T46 WeakPolarHBondContact OE1-CB 3.15Å; E30-T46 WeakPolarHBondContact OE1-CG2 3.26Å; E30-T46 PolarHBondContact OE1-OG1 2.91Å; E31-T46 WeakPolarHBondContact O-CG2 3.32Å; S32-T46 PolarHBondContact O-N 3Å; T46-L48 PolarHBondContact O-N 3.13Å; T46-L48 VanDerWaalsContact O-N 3.11Å; T46-G49 PolarHBondContact O-N 3.17Å
47E97.4Very high98.3Very high135 Ų13567.8 Ų67.863%0.63134%0.341SS*.G310 helixtrans-55.5-31.9-177.9-67-63.5111.600112.8G49 R50E47-G49 PolarHBondContact O-N 3.46Å; E47-R50 WeakPolarHBondContact O-CB 3.34Å; E47-R50 PolarHBondContact O-N 2.93Å; E47-R50 IonicContact OE1-CZ 2.9Å; E47-R50 IonicContact OE1-NH2 3.95Å; E47-R50 PolarHBondContact OE1-NH2 2.84Å; E47-R50 IonicContact OE2-CZ 3.78Å; E47-R50 IonicContact OE2-NH1 3.31Å; E47-R50 IonicContact OE2-NH2 2.83Å; E47-R50 PolarHBondContact OE2-NH2 2.93Å
48L96.4Very high98.3Very high95 Ų9570.5 Ų70.550%0.49736%0.36SS..G310 helixtrans-60.3-33.4178.2-176.464.8000112.6Y27 T46 P51Y27-L48 HydrophobicContact CD1-CD2 4.17Å; Y27-L48 HydrophobicContact CG-CD2 4.17Å; T46-L48 PolarHBondContact O-N 3.13Å; T46-L48 VanDerWaalsContact O-N 3.11Å; L48-P51 WeakPolarHBondContact O-CD 3.29Å
49G98.1Very high98.3Very high0 Ų067.4 Ų67.40%034%0.342CS..G310 helixtrans-88.6-2.9-177.300000115S32 T46 E47 D52 A53S32-G49 WeakPolarHBondContact O-CA 3.32Å; T46-G49 PolarHBondContact O-N 3.17Å; E47-G49 PolarHBondContact O-N 3.46Å; G49-D52 PolarHBondContact O-N 2.79Å; G49-A53 WeakPolarHBondContact O-CB 3.3Å; G49-A53 PolarHBondContact O-N 2.94Å
50R98.6Very high98.3Very high117 Ų11771.7 Ų71.744%0.44236%0.355SS..Hα-helixtrans-54.9-51.7177.4-171.9-179.9-62.8164.53113.6A44 E47 D52 A53 E54A44-R50 HydrophobicContact CB-CB 4.29Å; E47-R50 WeakPolarHBondContact O-CB 3.34Å; E47-R50 PolarHBondContact O-N 2.93Å; E47-R50 IonicContact OE1-CZ 2.9Å; E47-R50 IonicContact OE1-NH2 3.95Å; E47-R50 PolarHBondContact OE1-NH2 2.84Å; E47-R50 IonicContact OE2-CZ 3.78Å; E47-R50 IonicContact OE2-NH1 3.31Å; E47-R50 IonicContact OE2-NH2 2.83Å; E47-R50 PolarHBondContact OE2-NH2 2.93Å; R50-D52 VanDerWaalsContact C-N 3.29Å; R50-D52 PolarHBondContact O-N 2.93Å; R50-A53 PolarHBondContact O-N 2.77Å; R50-E54 HydrophobicContact CG-CG 4.49Å; R50-E54 WeakPolarHBondContact CG-OE1 3.36Å; R50-E54 WeakPolarHBondContact O-CG 3.5Å; R50-E54 PolarHBondContact O-N 2.82Å
51P98.4Very high98.3Very high77 Ų7776.1 Ų76.150%0.538%0.376SS..Hα-helixtrans-60.9-38.7179.723.3-34.6000112.5L48 Y55L48-P51 WeakPolarHBondContact O-CD 3.29Å; P51-Y55 VanDerWaalsContact O-CB 3.24Å; P51-Y55 WeakPolarHBondContact O-CB 3.24Å; P51-Y55 PolarHBondContact O-N 3.13Å
52D98.1Very high98.2Very high64 Ų6475.1 Ų75.134%0.34237%0.372SS..Hα-helixtrans-66.3-45.1178.8-64.5-33.4000111.3V33 G49 R50 Y55 W56V33-D52 HydrophobicContact CG1-CB 4.21Å; G49-D52 PolarHBondContact O-N 2.79Å; R50-D52 VanDerWaalsContact C-N 3.29Å; R50-D52 PolarHBondContact O-N 2.93Å; D52-Y55 PolarHBondContact O-N 2.85Å; D52-W56 HydrophobicContact CB-CD2 4.49Å; D52-W56 HydrophobicContact CB-CE3 4.4Å; D52-W56 HydrophobicContact CB-CH2 4.49Å; D52-W56 HydrophobicContact CB-CZ3 4.43Å; D52-W56 WeakPolarHBondContact O-CB 3.45Å; D52-W56 VanDerWaalsContact O-CG 3.27Å; D52-W56 PolarHBondContact O-N 3.39Å
53A98.6Very high98.2Very high8 Ų875.7 Ų75.77%0.06638%0.375CS..Hα-helixtrans-61.7-45.6178.500000112V33 F42 A44 G49 R50 N57V33-A53 HydrophobicContact CG2-CB 4.02Å; F42-A53 HydrophobicContact CB-CB 4.36Å; A44-A53 HydrophobicContact CB-CB 4.28Å; G49-A53 WeakPolarHBondContact O-CB 3.3Å; G49-A53 PolarHBondContact O-N 2.94Å; R50-A53 PolarHBondContact O-N 2.77Å; A53-N57 VanDerWaalsContact O-CB 3.25Å; A53-N57 WeakPolarHBondContact O-CB 2.9Å; A53-N57 PolarHBondContact O-N 3.11Å; A53-N57 PolarHBondContact O-ND2 3.1Å
54E98.6Very high98.2Very high125 Ų12574.9 Ų74.958%0.58438%0.378SS*.Hα-helixtrans-62.7-46.7176.9-72.1173.5-171.700111.5R50 S58R50-E54 HydrophobicContact CG-CG 4.49Å; R50-E54 WeakPolarHBondContact CG-OE1 3.36Å; R50-E54 WeakPolarHBondContact O-CG 3.5Å; R50-E54 PolarHBondContact O-N 2.82Å; E54-S58 WeakPolarHBondContact O-CB 3.32Å; E54-S58 PolarHBondContact O-N 2.96Å
55Y98.6Very high98.2Very high136 Ų13679.7 Ų79.753%0.53339%0.393SS..Hα-helixtrans-64.9-46.5-179.1177.5-119.4000112.4P51 D52 S58 Q59P51-Y55 VanDerWaalsContact O-CB 3.24Å; P51-Y55 WeakPolarHBondContact O-CB 3.24Å; P51-Y55 PolarHBondContact O-N 3.13Å; D52-Y55 PolarHBondContact O-N 2.85Å; Y55-S58 PolarHBondContact O-N 3.03Å; Y55-S58 PolarHBondContact O-OG 2.86Å; Y55-Q59 VanDerWaalsContact CE2-NE2 3.34Å; Y55-Q59 PolarHBondContact O-N 2.96Å; Y55-Q59 PolarHBondContact O-NE2 3.05Å; Y55-Q59 PolarHBondContact OH-NE2 2.95Å
56W98.6Very high98.2Very high46 Ų4677 Ų7717%0.17438%0.378CS..Hα-helixtrans-70.6-35.7-179.3-66.2-19.8000112.6Y25 V33 F42 D52 S58 Q59 I62Y25-W56 HydrophobicContact CD1-CH2 4.12Å; Y25-W56 AromaticContact CD2-CH2 3.79Å; Y25-W56 HydrophobicContact CD2-CH2 3.79Å; Y25-W56 AromaticContact CD2-CZ3 3.69Å; Y25-W56 HydrophobicContact CD2-CZ3 3.69Å; Y25-W56 AromaticContact CE1-CH2 3.9Å; Y25-W56 HydrophobicContact CE1-CH2 3.9Å; Y25-W56 AromaticContact CE2-CH2 3.6Å; Y25-W56 HydrophobicContact CE2-CH2 3.6Å; Y25-W56 AromaticContact CE2-CZ3 3.52Å; Y25-W56 HydrophobicContact CE2-CZ3 3.52Å; Y25-W56 HydrophobicContact CG-CH2 4.05Å; Y25-W56 HydrophobicContact CG-CZ3 4.35Å; Y25-W56 AromaticContact CZ-CH2 3.65Å; V33-W56 HydrophobicContact CG1-CH2 4.1Å; V33-W56 HydrophobicContact CG1-CZ3 3.65Å; V33-W56 HydrophobicContact CG2-CE3 4.27Å; V33-W56 HydrophobicContact CG2-CZ3 4.07Å; F42-W56 HydrophobicContact CB-CE3 4.44Å; F42-W56 HydrophobicContact CD1-CD2 4.37Å; F42-W56 AromaticContact CD1-CE3 3.28Å; F42-W56 HydrophobicContact CD1-CE3 3.28Å; F42-W56 AromaticContact CD1-CZ3 3.71Å; F42-W56 HydrophobicContact CD1-CZ3 3.71Å; F42-W56 HydrophobicContact CD2-CB 3.76Å; F42-W56 HydrophobicContact CD2-CE3 4.35Å; F42-W56 HydrophobicContact CE1-CD2 4.3Å; F42-W56 AromaticContact CE1-CE3 3.38Å; F42-W56 HydrophobicContact CE1-CE3 3.38Å; F42-W56 AromaticContact CE1-CZ3 3.67Å; F42-W56 HydrophobicContact CE1-CZ3 3.67Å; F42-W56 HydrophobicContact CE2-CB 4.03Å; F42-W56 HydrophobicContact CE2-CE3 4.47Å; F42-W56 HydrophobicContact CG-CB 4.12Å; F42-W56 AromaticContact CG-CE3 3.78Å; F42-W56 HydrophobicContact CG-CE3 3.78Å; F42-W56 HydrophobicContact CZ-CE3 4.02Å; D52-W56 HydrophobicContact CB-CD2 4.49Å; D52-W56 HydrophobicContact CB-CE3 4.4Å; D52-W56 HydrophobicContact CB-CH2 4.49Å; D52-W56 HydrophobicContact CB-CZ3 4.43Å; D52-W56 WeakPolarHBondContact O-CB 3.45Å; D52-W56 VanDerWaalsContact O-CG 3.27Å; D52-W56 PolarHBondContact O-N 3.39Å; W56-S58 VanDerWaalsContact C-N 3.26Å; W56-S58 PolarHBondContact O-N 3.38Å; W56-Q59 PolarHBondContact O-N 3.37Å; W56-I62 HydrophobicContact CB-CG2 4.4Å
57N98.7Very high98.2Very high45 Ų4581.4 Ų81.424%0.24139%0.391CS..Hα-helixtrans-69.1-25.1173.6-71.9-27.7000112.8F42 A53 Q59F42-N57 PolarHBondContact N-OD1 3.03Å; F42-N57 PolarHBondContact O-ND2 3.29Å; A53-N57 VanDerWaalsContact O-CB 3.25Å; A53-N57 WeakPolarHBondContact O-CB 2.9Å; A53-N57 PolarHBondContact O-N 3.11Å; A53-N57 PolarHBondContact O-ND2 3.1Å; N57-Q59 VanDerWaalsContact C-N 3.27Å
58S98.4Very high98.3Very high84 Ų8477 Ų7759%0.58738%0.377SS*.Hα-helixtrans-72.6-21.1173.7820000113.2E54 Y55 W56E54-S58 WeakPolarHBondContact O-CB 3.32Å; E54-S58 PolarHBondContact O-N 2.96Å; Y55-S58 PolarHBondContact O-N 3.03Å; Y55-S58 PolarHBondContact O-OG 2.86Å; W56-S58 VanDerWaalsContact C-N 3.26Å; W56-S58 PolarHBondContact O-N 3.38Å
59Q98.5Very high98.4Very high44 Ų4472.9 Ų72.921%0.20636%0.357CS..  trans-93.6100.3-179.4-75.9-179.890.300111Y55 W56 N57 D61 I62 L63Y55-Q59 VanDerWaalsContact CE2-NE2 3.34Å; Y55-Q59 PolarHBondContact O-N 2.96Å; Y55-Q59 PolarHBondContact O-NE2 3.05Å; Y55-Q59 PolarHBondContact OH-NE2 2.95Å; W56-Q59 PolarHBondContact O-N 3.37Å; N57-Q59 VanDerWaalsContact C-N 3.27Å; Q59-D61 VanDerWaalsContact C-N 3.31Å; Q59-D61 PolarHBondContact O-N 2.67Å; Q59-I62 HydrophobicContact CB-CB 4.02Å; Q59-I62 HydrophobicContact CB-CD1 3.85Å; Q59-I62 HydrophobicContact CB-CG1 3.91Å; Q59-I62 VanDerWaalsContact CD-CD1 3.42Å; Q59-I62 HydrophobicContact CG-CD1 4.28Å; Q59-I62 PolarHBondContact O-N 3.46Å; Q59-L63 WeakPolarHBondContact O-CB 3.31Å; Q59-L63 PolarHBondContact O-N 3.01Å
60K97.8Very high98.4Very high162 Ų16273.6 Ų73.670%0.70436%0.361SS*.Hα-helixtrans-59.3-40.4-174.8-69.5-174.2176.8-178.20113.1L63 E64K60-L63 PolarHBondContact O-N 3.11Å; K60-E64 VanDerWaalsContact O-CB 3.31Å; K60-E64 WeakPolarHBondContact O-CB 3.21Å; K60-E64 VanDerWaalsContact O-CG 3.26Å; K60-E64 WeakPolarHBondContact O-CG 3.45Å; K60-E64 PolarHBondContact O-N 2.81Å
61D98.2Very high98.4Very high105 Ų10572.5 Ų72.556%0.56136%0.364SS*.Hα-helixtrans-61.5-46.5177.757.5-30.9000112Q59 Q65Q59-D61 VanDerWaalsContact C-N 3.31Å; Q59-D61 PolarHBondContact O-N 2.67Å; D61-Q65 VanDerWaalsContact O-CB 3.32Å; D61-Q65 WeakPolarHBondContact O-CB 3.36Å; D61-Q65 PolarHBondContact O-N 2.94Å
62I97.9Very high98.4Very high44 Ų4473.3 Ų73.323%0.22637%0.367CS..Hα-helixtrans-62.3-46.1176-62.9-175.7000110.5F42 W56 Q59 Q65 A66F42-I62 HydrophobicContact CE2-CG2 4.02Å; F42-I62 HydrophobicContact CZ-CG2 4.32Å; W56-I62 HydrophobicContact CB-CG2 4.4Å; Q59-I62 HydrophobicContact CB-CB 4.02Å; Q59-I62 HydrophobicContact CB-CD1 3.85Å; Q59-I62 HydrophobicContact CB-CG1 3.91Å; Q59-I62 VanDerWaalsContact CD-CD1 3.42Å; Q59-I62 HydrophobicContact CG-CD1 4.28Å; Q59-I62 PolarHBondContact O-N 3.46Å; I62-Q65 PolarHBondContact O-N 2.84Å; I62-A66 WeakPolarHBondContact O-CB 3.24Å; I62-A66 PolarHBondContact O-N 2.79Å
63L98.3Very high98.3Very high19 Ų1974.9 Ų74.910%0.09937%0.369CS..Hα-helixtrans-66.4-41.2-177.3-173.159.7000112.2F35 G40 E41 F42 Q59 K60 A66 R67F35-L63 HydrophobicContact CD2-CD1 4.48Å; F35-L63 HydrophobicContact CE2-CD1 3.99Å; G40-L63 WeakPolarHBondContact O-CD1 3.39Å; E41-L63 HydrophobicContact CB-CD1 4.3Å; F42-L63 HydrophobicContact CD2-CD1 4.45Å; Q59-L63 WeakPolarHBondContact O-CB 3.31Å; Q59-L63 PolarHBondContact O-N 3.01Å; K60-L63 PolarHBondContact O-N 3.11Å; L63-A66 PolarHBondContact O-N 3.26Å; L63-R67 WeakPolarHBondContact O-CD 3.19Å; L63-R67 VanDerWaalsContact O-CG 3.24Å; L63-R67 WeakPolarHBondContact O-CG 3.3Å; L63-R67 PolarHBondContact O-N 2.87Å
64E98.4Very high98.3Very high126 Ų12674.5 Ų74.559%0.58937%0.366SS*.Hα-helixtrans-65.7-41.7174.5-75.6176.9179.900111.6K60 A66 R67 A68K60-E64 VanDerWaalsContact O-CB 3.31Å; K60-E64 WeakPolarHBondContact O-CB 3.21Å; K60-E64 VanDerWaalsContact O-CG 3.26Å; K60-E64 WeakPolarHBondContact O-CG 3.45Å; K60-E64 PolarHBondContact O-N 2.81Å; E64-A66 PolarHBondContact O-N 3.37Å; E64-R67 PolarHBondContact O-N 2.78Å; E64-A68 WeakPolarHBondContact O-CB 3.42Å; E64-A68 PolarHBondContact O-N 2.91Å
65Q98.3Very high98.3Very high144 Ų14472.1 Ų72.167%0.67335%0.352SS*.Hα-helixtrans-61.9-43.5175.6-172.9179.711.500111.7D61 I62 A68 A69D61-Q65 VanDerWaalsContact O-CB 3.32Å; D61-Q65 WeakPolarHBondContact O-CB 3.36Å; D61-Q65 PolarHBondContact O-N 2.94Å; I62-Q65 PolarHBondContact O-N 2.84Å; Q65-A68 PolarHBondContact O-N 3.28Å; Q65-A69 PolarHBondContact O-N 3.47Å; Q65-A69 VanDerWaalsContact O-N 3.11Å
66A98.2Very high98.1Very high9 Ų971 Ų717%0.07435%0.351CS..Hα-helixtrans-63.6-41.1177.500000112F35 F42 I62 L63 E64 A69F35-A66 HydrophobicContact CD1-CB 4.02Å; F35-A66 HydrophobicContact CD2-CB 3.73Å; F35-A66 HydrophobicContact CE1-CB 3.94Å; F35-A66 VanDerWaalsContact CE1-O 3.3Å; F35-A66 WeakPolarHBondContact CE1-O 3.38Å; F35-A66 HydrophobicContact CE2-CB 3.65Å; F35-A66 HydrophobicContact CG-CB 3.93Å; F35-A66 HydrophobicContact CZ-CB 3.76Å; F42-A66 HydrophobicContact CE2-CB 4.1Å; F42-A66 HydrophobicContact CZ-CB 4.17Å; I62-A66 WeakPolarHBondContact O-CB 3.24Å; I62-A66 PolarHBondContact O-N 2.79Å; L63-A66 PolarHBondContact O-N 3.26Å; E64-A66 PolarHBondContact O-N 3.37Å; A66-A69 VanDerWaalsContact O-CB 3.3Å; A66-A69 WeakPolarHBondContact O-CB 3.24Å; A66-A69 PolarHBondContact O-N 2.93Å
67R98.5Very high98Very high125 Ų12572.2 Ų72.247%0.47236%0.361SS..Hα-helixtrans-63.3-40.4174.1-71.8166.6179.1171.9-1112.2F35 G40 L63 E64 A69F35-R67 HydrophobicContact CE2-CG 4.22Å; F35-R67 HydrophobicContact CZ-CB 4.44Å; F35-R67 HydrophobicContact CZ-CG 3.8Å; G40-R67 VanDerWaalsContact O-CZ 3.29Å; G40-R67 PolarHBondContact O-NE 3.01Å; G40-R67 PolarHBondContact O-NH2 2.64Å; L63-R67 WeakPolarHBondContact O-CD 3.19Å; L63-R67 VanDerWaalsContact O-CG 3.24Å; L63-R67 WeakPolarHBondContact O-CG 3.3Å; L63-R67 PolarHBondContact O-N 2.87Å; E64-R67 PolarHBondContact O-N 2.78Å; R67-A69 VanDerWaalsContact C-N 3.25Å; R67-A69 PolarHBondContact O-N 3.35Å
68A98.6Very high97.8Very high41 Ų4172.1 Ų72.134%0.33936%0.358SS..Hα-helixtrans-71.6-16.7178.900000113.7E64 Q65 V70 D71 T72E64-A68 WeakPolarHBondContact O-CB 3.42Å; E64-A68 PolarHBondContact O-N 2.91Å; Q65-A68 PolarHBondContact O-N 3.28Å; A68-V70 PolarHBondContact O-N 2.83Å; A68-V70 VanDerWaalsContact O-N 3.13Å; A68-D71 PolarHBondContact O-N 3.32Å; A68-T72 HydrophobicContact CB-CG2 4.24Å; A68-T72 PolarHBondContact O-N 3.04Å; A68-T72 PolarHBondContact O-OG1 3.48Å; A68-T72 VanDerWaalsContact O-OG1 3.1Å
69A98.6Very high97.5Very high9 Ų970.3 Ų70.37%0.07435%0.352CS..Hα-helixtrans-61.7-22.4-176.300000113.8F21 Q65 A66 R67 D71 T72 Y73 C74F21-A69 HydrophobicContact CD1-CB 3.6Å; F21-A69 HydrophobicContact CD2-CB 4.32Å; F21-A69 HydrophobicContact CE1-CB 3.51Å; F21-A69 HydrophobicContact CE2-CB 4.22Å; F21-A69 HydrophobicContact CG-CB 4.01Å; F21-A69 HydrophobicContact CZ-CB 3.83Å; Q65-A69 PolarHBondContact O-N 3.47Å; Q65-A69 VanDerWaalsContact O-N 3.11Å; A66-A69 VanDerWaalsContact O-CB 3.3Å; A66-A69 WeakPolarHBondContact O-CB 3.24Å; A66-A69 PolarHBondContact O-N 2.93Å; R67-A69 VanDerWaalsContact C-N 3.25Å; R67-A69 PolarHBondContact O-N 3.35Å; A69-D71 VanDerWaalsContact C-N 3.26Å; A69-D71 PolarHBondContact O-N 2.94Å; A69-T72 WeakPolarHBondContact CA-OG1 3.45Å; A69-Y73 WeakPolarHBondContact O-CA 3.37Å; A69-Y73 VanDerWaalsContact O-CB 3.29Å; A69-Y73 WeakPolarHBondContact O-CB 3.47Å; A69-Y73 PolarHBondContact O-N 2.64Å; A69-C74 PolarHBondContact O-N 2.76Å
70V98.6Very high97.2Very high15 Ų1572.8 Ų72.89%0.09137%0.37CS..Iπ-helixtrans-57.7-43.5172.7-170.70000110.6V19 F21 S37 A68 C74 R75V19-V70 HydrophobicContact CB-CG1 3.73Å; V19-V70 HydrophobicContact CG1-CG1 3.85Å; V19-V70 WeakPolarHBondContact O-CG1 3.34Å; F21-V70 HydrophobicContact CB-CG2 3.94Å; S37-V70 VanDerWaalsContact CB-CG2 3.47Å; A68-V70 PolarHBondContact O-N 2.83Å; A68-V70 VanDerWaalsContact O-N 3.13Å; V70-C74 WeakPolarHBondContact O-CB 3.43Å; V70-R75 VanDerWaalsContact CG1-NH1 3.28Å; V70-R75 PolarHBondContact O-N 3.06Å
71D98.3Very high96.8Very high94 Ų9466.1 Ų66.150%0.50335%0.347SS..Iπ-helixtrans-87.5-52.1179.9-70.4-56000112A68 A69 Y73 R75 H76A68-D71 PolarHBondContact O-N 3.32Å; A69-D71 VanDerWaalsContact C-N 3.26Å; A69-D71 PolarHBondContact O-N 2.94Å; D71-Y73 VanDerWaalsContact C-N 3.32Å; D71-Y73 PolarHBondContact O-N 2.9Å; D71-R75 WeakPolarHBondContact OD1-CD 3.34Å; D71-R75 IonicContact OD1-CZ 3.55Å; D71-R75 IonicContact OD1-NE 3.83Å; D71-R75 IonicContact OD1-NH1 2.64Å; D71-R75 PolarHBondContact OD1-NH1 2.89Å; D71-R75 IonicContact OD2-NH1 3.74Å; D71-H76 PolarHBondContact O-N 2.82Å
72T97.9Very high96.3Very high94 Ų9464.2 Ų64.258%0.57734%0.335SS*.Iπ-helixtrans-73.3-25.7-169.362.90000113.1A68 A69 H76A68-T72 HydrophobicContact CB-CG2 4.24Å; A68-T72 PolarHBondContact O-N 3.04Å; A68-T72 PolarHBondContact O-OG1 3.48Å; A68-T72 VanDerWaalsContact O-OG1 3.1Å; A69-T72 WeakPolarHBondContact CA-OG1 3.45Å; T72-H76 VanDerWaalsContact O-CB 3.27Å; T72-H76 WeakPolarHBondContact O-CB 3.32Å
73Y97.6Very high95.4Very high98 Ų9865.8 Ų65.838%0.38435%0.35SS..Iπ-helixtrans-112-59.3179.5-178.3-101.3000111.6R8 F21 A69 D71 N77R8-Y73 HydrophobicContact CB-CE1 4.32Å; F21-Y73 HydrophobicContact CD2-CD1 4.42Å; F21-Y73 HydrophobicContact CE2-CD1 4.05Å; F21-Y73 HydrophobicContact CE2-CE1 4.44Å; A69-Y73 WeakPolarHBondContact O-CA 3.37Å; A69-Y73 VanDerWaalsContact O-CB 3.29Å; A69-Y73 WeakPolarHBondContact O-CB 3.47Å; A69-Y73 PolarHBondContact O-N 2.64Å; D71-Y73 VanDerWaalsContact C-N 3.32Å; D71-Y73 PolarHBondContact O-N 2.9Å; Y73-N77 VanDerWaalsContact CD2-ND2 3.26Å; Y73-N77 WeakPolarHBondContact CD2-ND2 3.48Å; Y73-N77 WeakPolarHBondContact CE2-ND2 3.45Å; Y73-N77 VanDerWaalsContact O-CB 3.26Å; Y73-N77 WeakPolarHBondContact O-CB 3.48Å; Y73-N77 VanDerWaalsContact O-CG 3.22Å; Y73-N77 PolarHBondContact O-N 3.04Å; Y73-N77 PolarHBondContact O-ND2 2.96Å
74C98.1Very high94.3Very high0 Ų070.9 Ų70.90%037%0.371CS..Iπ-helixtrans-68.5-58.3-171.9-63.10000112.9C10 F12 V19 F21 A69 V70 H76 N77 Y78C10-C74 HydrophobicContact CB-CB 3.63Å; C10-C74 WeakPolarHBondContact CB-SG 3.42Å; C10-C74 WeakPolarHBondContact SG-CA 3.49Å; C10-C74 WeakPolarHBondContact SG-CB 3.39Å; C10-C74 CovalentContact SG-SG 2.03Å; C10-C74 PolarHBondContact SG-SG 3.02Å; F12-C74 HydrophobicContact CE1-CB 4.19Å; F12-C74 HydrophobicContact CZ-CB 3.99Å; F12-C74 WeakPolarHBondContact CZ-O 3.48Å; V19-C74 HydrophobicContact CG1-CB 3.53Å; F21-C74 VanDerWaalsContact CD2-SG 3.55Å; A69-C74 PolarHBondContact O-N 2.76Å; V70-C74 WeakPolarHBondContact O-CB 3.43Å; C74-H76 VanDerWaalsContact C-N 3.33Å; C74-H76 PolarHBondContact O-N 3.28Å; C74-N77 PolarHBondContact O-N 3.3Å; C74-Y78 WeakPolarHBondContact O-CB 3.26Å; C74-Y78 PolarHBondContact O-N 2.78Å
75R97.5Very high93.3Very high75 Ų7569.9 Ų69.928%0.28337%0.374SS..Iπ-helixtrans-64-39.7179.7-70.7-171.6-177.892.34112.1T16 V19 V70 D71 Y78 G79T16-R75 HydrophobicContact CG2-CG 4.43Å; T16-R75 PolarHBondContact O-NE 3.16Å; V19-R75 HydrophobicContact CG2-CG 3.97Å; V70-R75 VanDerWaalsContact CG1-NH1 3.28Å; V70-R75 PolarHBondContact O-N 3.06Å; D71-R75 WeakPolarHBondContact OD1-CD 3.34Å; D71-R75 IonicContact OD1-CZ 3.55Å; D71-R75 IonicContact OD1-NE 3.83Å; D71-R75 IonicContact OD1-NH1 2.64Å; D71-R75 PolarHBondContact OD1-NH1 2.89Å; D71-R75 IonicContact OD2-NH1 3.74Å; R75-Y78 PolarHBondContact O-N 3.39Å; R75-G79 PolarHBondContact O-N 3.34Å
76H96.1Very high92.3Very high113 Ų11365.9 Ų65.952%0.52336%0.359SS..Hα-helixtrans-55.2-55.8174.7179.872.5000111.9D71 T72 C74 Y78 G79 V80D71-H76 PolarHBondContact O-N 2.82Å; T72-H76 VanDerWaalsContact O-CB 3.27Å; T72-H76 WeakPolarHBondContact O-CB 3.32Å; C74-H76 VanDerWaalsContact C-N 3.33Å; C74-H76 PolarHBondContact O-N 3.28Å; H76-Y78 VanDerWaalsContact C-N 3.33Å; H76-Y78 PolarHBondContact O-N 2.88Å; H76-G79 PolarHBondContact O-N 3.02Å; H76-V80 WeakPolarHBondContact O-CG2 3.25Å; H76-V80 PolarHBondContact O-N 3.41Å
77N95.4Very high90.9Very high71 Ų7171.6 Ų71.638%0.3838%0.384SS..Hα-helixtrans-66.9-34.9-178.3-71.6-32.7000112.6Y73 C74 V80 G81Y73-N77 VanDerWaalsContact CD2-ND2 3.26Å; Y73-N77 WeakPolarHBondContact CD2-ND2 3.48Å; Y73-N77 WeakPolarHBondContact CE2-ND2 3.45Å; Y73-N77 VanDerWaalsContact O-CB 3.26Å; Y73-N77 WeakPolarHBondContact O-CB 3.48Å; Y73-N77 VanDerWaalsContact O-CG 3.22Å; Y73-N77 PolarHBondContact O-N 3.04Å; Y73-N77 PolarHBondContact O-ND2 2.96Å; C74-N77 PolarHBondContact O-N 3.3Å; N77-V80 PolarHBondContact O-N 3.3Å; N77-G81 PolarHBondContact O-N 3.19Å
78Y94.4Very high89Confident43 Ų4373.7 Ų73.717%0.16939%0.392CS..Hα-helixtrans-58.9-50.4173.2-172-82.5000110.5F12 T16 C74 R75 H76 V80 G81 E82 V86F12-Y78 HydrophobicContact CB-CE2 4.42Å; F12-Y78 AromaticContact CD1-CD2 3.6Å; F12-Y78 HydrophobicContact CD1-CD2 3.6Å; F12-Y78 HydrophobicContact CD1-CE2 4.19Å; F12-Y78 HydrophobicContact CD1-CG 4.13Å; F12-Y78 AromaticContact CD2-CD2 3.99Å; F12-Y78 HydrophobicContact CD2-CD2 3.99Å; F12-Y78 HydrophobicContact CD2-CE2 4.48Å; F12-Y78 AromaticContact CE1-CD2 3.64Å; F12-Y78 HydrophobicContact CE1-CD2 3.64Å; F12-Y78 AromaticContact CE1-CG 3.87Å; F12-Y78 HydrophobicContact CE1-CG 3.87Å; F12-Y78 HydrophobicContact CE2-CD2 4Å; F12-Y78 AromaticContact CG-CD2 3.8Å; F12-Y78 HydrophobicContact CG-CD2 3.8Å; F12-Y78 HydrophobicContact CG-CE2 4.12Å; F12-Y78 AromaticContact CZ-CD2 3.84Å; F12-Y78 HydrophobicContact CZ-CD2 3.84Å; F12-Y78 HydrophobicContact CZ-CG 4.22Å; T16-Y78 HydrophobicContact CG2-CD1 3.37Å; T16-Y78 HydrophobicContact CG2-CD2 4.45Å; T16-Y78 HydrophobicContact CG2-CE1 3.8Å; T16-Y78 HydrophobicContact CG2-CG 3.75Å; C74-Y78 WeakPolarHBondContact O-CB 3.26Å; C74-Y78 PolarHBondContact O-N 2.78Å; R75-Y78 PolarHBondContact O-N 3.39Å; H76-Y78 VanDerWaalsContact C-N 3.33Å; H76-Y78 PolarHBondContact O-N 2.88Å; Y78-V80 VanDerWaalsContact C-N 3.31Å; Y78-V80 PolarHBondContact O-N 3.36Å; Y78-G81 PolarHBondContact O-N 3.01Å; Y78-G81 VanDerWaalsContact O-N 3.14Å; Y78-E82 HydrophobicContact CD1-CB 4.22Å; Y78-E82 HydrophobicContact CE1-CB 4.07Å; Y78-E82 HydrophobicContact CE1-CG 3.97Å; Y78-E82 WeakPolarHBondContact CE1-OE1 3.46Å; Y78-E82 WeakPolarHBondContact O-CA 3.31Å; Y78-E82 VanDerWaalsContact O-CB 3.23Å; Y78-E82 WeakPolarHBondContact O-CB 3.33Å; Y78-E82 PolarHBondContact O-N 2.86Å; Y78-V86 HydrophobicContact CE2-CG2 4.35Å
79G93.1Very high86.9Confident45 Ų4586.1 Ų86.146%0.46443%0.431SS..Hα-helixtrans-61.5-36.8178.700000113.5R75 H76R75-G79 PolarHBondContact O-N 3.34Å; H76-G79 PolarHBondContact O-N 3.02Å
80V92.4Very high86.3Confident97 Ų9790 Ų9059%0.58845%0.448SS*.Hα-helixtrans-64.6-42.9174.3173.60000111.3H76 N77 Y78H76-V80 WeakPolarHBondContact O-CG2 3.25Å; H76-V80 PolarHBondContact O-N 3.41Å; N77-V80 PolarHBondContact O-N 3.3Å; Y78-V80 VanDerWaalsContact C-N 3.31Å; Y78-V80 PolarHBondContact O-N 3.36Å
81G88.8Confident85.7Confident22 Ų2293.9 Ų93.923%0.22747%0.467CS..Hα-helixtrans-84.4-25-176.200000115.2N77 Y78 S83 F84 T85N77-G81 PolarHBondContact O-N 3.19Å; Y78-G81 PolarHBondContact O-N 3.01Å; Y78-G81 VanDerWaalsContact O-N 3.14Å; G81-S83 VanDerWaalsContact C-N 3.29Å; G81-S83 PolarHBondContact O-N 3.38Å; G81-F84 PolarHBondContact O-N 3.25Å; G81-T85 PolarHBondContact O-N 2.97Å; G81-T85 PolarHBondContact O-OG1 3.27Å
82E87Confident85Confident65 Ų6593.9 Ų93.930%0.30447%0.465SS..Hα-helixtrans-54.2-43.8-168179.8175.2-141.300112.7Y78 F84 T85 V86 Q87Y78-E82 HydrophobicContact CD1-CB 4.22Å; Y78-E82 HydrophobicContact CE1-CB 4.07Å; Y78-E82 HydrophobicContact CE1-CG 3.97Å; Y78-E82 WeakPolarHBondContact CE1-OE1 3.46Å; Y78-E82 WeakPolarHBondContact O-CA 3.31Å; Y78-E82 VanDerWaalsContact O-CB 3.23Å; Y78-E82 WeakPolarHBondContact O-CB 3.33Å; Y78-E82 PolarHBondContact O-N 2.86Å; E82-F84 PolarHBondContact O-N 3.34Å; E82-F84 VanDerWaalsContact O-N 3.16Å; E82-T85 PolarHBondContact O-N 2.67Å; E82-V86 HydrophobicContact CG-CB 4.04Å; E82-V86 HydrophobicContact CG-CG2 4.43Å; E82-V86 PolarHBondContact O-N 3.07Å; E82-Q87 HydrophobicContact CG-CG 4.15Å; E82-Q87 PolarHBondContact O-N 3.46Å
83S78.8Confident84.2Confident76 Ų7693.9 Ų93.953%0.53146%0.459SS..Hα-helixtrans-57.8-28.1178.264.60000113.7G81G81-S83 VanDerWaalsContact C-N 3.29Å; G81-S83 PolarHBondContact O-N 3.38Å
84F75.5Confident83.4Confident126 Ų12693.7 Ų93.755%0.55346%0.463SS*.Hα-helixtrans-103.8-33-177.3-165-83.6000113.1G81 E82 R88G81-F84 PolarHBondContact O-N 3.25Å; E82-F84 PolarHBondContact O-N 3.34Å; E82-F84 VanDerWaalsContact O-N 3.16Å; F84-R88 VanDerWaalsContact O-CD 3.25Å; F84-R88 WeakPolarHBondContact O-CD 3.46Å; F84-R88 WeakPolarHBondContact O-CG 3.24Å
85T78.4Confident82.4Confident106 Ų10699.9 Ų99.965%0.6549%0.494SS*.Hα-helixtrans-104.9-25.3-169.759.90000114.3G81 E82G81-T85 PolarHBondContact O-N 2.97Å; G81-T85 PolarHBondContact O-OG1 3.27Å; E82-T85 PolarHBondContact O-N 2.67Å
86V76.5Confident81.3Confident59 Ų59101.7 Ų101.736%0.35851%0.509SS..THydrogen-bonded Turntrans-113.5-44.5-174.2-177.90000111.6Y78 E82 R88Y78-V86 HydrophobicContact CE2-CG2 4.35Å; E82-V86 HydrophobicContact CG-CB 4.04Å; E82-V86 HydrophobicContact CG-CG2 4.43Å; E82-V86 PolarHBondContact O-N 3.07Å; V86-R88 VanDerWaalsContact C-N 3.26Å; V86-R88 PolarHBondContact O-N 3.4Å
87Q68.5Low80.2Confident129 Ų129100.8 Ų100.860%0.60351%0.508SS*.SBendtrans-75.8-7.8-176.7-68.2179.4-12.100114.2E82 R89E82-Q87 HydrophobicContact CG-CG 4.15Å; E82-Q87 PolarHBondContact O-N 3.46Å; Q87-R89 PolarHBondContact O-N 3.32Å; Q87-R89 VanDerWaalsContact O-N 3.12Å
88R60Low78.9Confident169 Ų169103.3 Ų103.364%0.63852%0.519SS*.  trans-82.535177.1-72.4-166.7172.4178.2-7.6114.1F84 V86F84-R88 VanDerWaalsContact O-CD 3.25Å; F84-R88 WeakPolarHBondContact O-CD 3.46Å; F84-R88 WeakPolarHBondContact O-CG 3.24Å; V86-R88 VanDerWaalsContact C-N 3.26Å; V86-R88 PolarHBondContact O-N 3.4Å
89R53.4Low77.5Confident303 Ų303108.8 Ų108.8100%1.14355%0.551SS**  trans-92.10171-80.6-173.2174.6-172.9-0.5111.2Q87Q87-R89 PolarHBondContact O-N 3.32Å; Q87-R89 VanDerWaalsContact O-N 3.12Å

Retrieved 89 of 89 residues in 424.3 ms (Link to these results)

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