A0A090KQC4_HUMAN Loading...

MHC class II antigen

AlphaFold DB , UniProt , Accession A0A090KQC4, 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
1R83.8Confident95.4Very high291 Ų291103.8 Ų103.8100%1.09845%0.453SS*.  0133.80179.6177.1179.3-1790.8107.7N28R1-N28 PolarHBondContact O-OD1 3.34Å
2F91.8Very high95.3Very high133 Ų13397.8 Ų97.858%0.58343%0.427SS*.  trans-80.7140.1176.7170.9-91.7000111.2W4 Y27 N28F2-W4 HydrophobicContact CE1-CB 3.88Å; F2-W4 HydrophobicContact CZ-CB 3.86Å; F2-Y27 AromaticContact CE2-CD1 3.48Å; F2-Y27 HydrophobicContact CE2-CD1 3.48Å; F2-Y27 VanDerWaalsContact CE2-CD1 3.48Å; F2-Y27 AromaticContact CE2-CE1 3.6Å; F2-Y27 HydrophobicContact CE2-CE1 3.6Å; F2-Y27 AromaticContact CZ-CD1 3.81Å; F2-Y27 HydrophobicContact CZ-CD1 3.81Å; F2-Y27 AromaticContact CZ-CE1 3.6Å; F2-Y27 HydrophobicContact CZ-CE1 3.6Å; F2-N28 VanDerWaalsContact CA-OD1 3.3Å; F2-N28 WeakPolarHBondContact CA-OD1 3.24Å
3L96.3Very high95.1Very high96 Ų9697.5 Ų97.550%0.50343%0.426SS..  trans-138127.4172.6178.566.1000109.7N28L3-N28 PolarHBondContact N-OD1 3.43Å; L3-N28 PolarHBondContact O-N 3.14Å
4W95.9Very high94.7Very high107 Ų10797.9 Ų97.941%0.40544%0.435SS..EExtended strand (participates in β ladder)trans-113.7129.6167.4-175.183.5000109.1F2 P6 Y25 F26 Y27F2-W4 HydrophobicContact CE1-CB 3.88Å; F2-W4 HydrophobicContact CZ-CB 3.86Å; W4-P6 HydrophobicContact CH2-CB 4.31Å; W4-P6 HydrophobicContact CH2-CG 4.28Å; W4-P6 HydrophobicContact CZ3-CB 4.4Å; W4-P6 HydrophobicContact CZ3-CG 3.9Å; W4-Y25 AromaticContact CH2-CD1 3.8Å; W4-Y25 HydrophobicContact CH2-CD1 3.8Å; W4-Y25 AromaticContact CH2-CE1 3.9Å; W4-Y25 HydrophobicContact CH2-CE1 3.9Å; W4-Y25 AromaticContact CZ2-CD1 3.34Å; W4-Y25 HydrophobicContact CZ2-CD1 3.34Å; W4-Y25 AromaticContact CZ2-CE1 3.8Å; W4-Y25 HydrophobicContact CZ2-CE1 3.8Å; W4-Y25 HydrophobicContact CZ2-CG 4.44Å; W4-F26 WeakPolarHBondContact CA-O 3.37Å; W4-Y27 AromaticContact CD1-CD1 3.86Å; W4-Y27 AromaticContact CD1-CD2 3.96Å; W4-Y27 AromaticContact CD1-CE1 3.49Å; W4-Y27 VanDerWaalsContact CD1-CE1 3.49Å; W4-Y27 AromaticContact CD1-CE2 3.59Å; W4-Y27 AromaticContact CD1-CZ 3.34Å; W4-Y27 HydrophobicContact CG-CE1 4.4Å; W4-Y27 AromaticContact NE1-CE2 3.68Å; W4-Y27 AromaticContact NE1-CZ 3.66Å
5Q97.6Very high94.2Very high82 Ų8292.3 Ų92.338%0.38342%0.416SS..EExtended strand (participates in β ladder)trans-137.8124.4-175.9176.1172.383.500111.3K7 F26Q5-K7 HydrophobicContact CG-CG 4.34Å; Q5-F26 HydrophobicContact CB-CB 4.42Å; Q5-F26 PolarHBondContact N-O 3.26Å; Q5-F26 WeakPolarHBondContact O-CD2 3.27Å; Q5-F26 PolarHBondContact O-N 3.25Å
6P97.1Very high94.1Very high51 Ų5190.4 Ų90.433%0.33141%0.413SS..EExtended strand (participates in β ladder)trans-87.5146.8163.633.9-30.5000111W4 R24 Y25W4-P6 HydrophobicContact CH2-CB 4.31Å; W4-P6 HydrophobicContact CH2-CG 4.28Å; W4-P6 HydrophobicContact CZ3-CB 4.4Å; W4-P6 HydrophobicContact CZ3-CG 3.9Å; P6-R24 CarbonylContact C-O 3.49Å; P6-R24 WeakPolarHBondContact CA-O 3.44Å; P6-Y25 HydrophobicContact CB-CD1 4.04Å; P6-Y25 HydrophobicContact CB-CE1 4.05Å
7K98Very high94Very high86 Ų8693.7 Ų93.737%0.37443%0.429SS..EExtended strand (participates in β ladder)trans-131.7119.2169.4-66.4-168.1179.4-178.20109.9Q5 E9 R24 F26Q5-K7 HydrophobicContact CG-CG 4.34Å; K7-E9 HydrophobicContact CB-CG 4.4Å; K7-R24 HydrophobicContact CB-CB 4.4Å; K7-R24 PolarHBondContact N-O 2.95Å; K7-R24 PolarHBondContact O-N 2.83Å; K7-F26 HydrophobicContact CB-CE2 4.09Å; K7-F26 HydrophobicContact CD-CD2 4.45Å; K7-F26 HydrophobicContact CD-CE2 3.73Å; K7-F26 HydrophobicContact CD-CZ 4.23Å; K7-F26 HydrophobicContact CG-CD2 4.24Å; K7-F26 HydrophobicContact CG-CE2 3.81Å
8R97.8Very high94.1Very high150 Ų15096.2 Ų96.257%0.56643%0.434SS*.EExtended strand (participates in β ladder)trans-103.7110.8172.7-65.5175.7-148.2132.93.6108.1F21 L22 D23 Y73R8-F21 HydrophobicContact CB-CE2 4.04Å; R8-F21 HydrophobicContact CB-CZ 4.41Å; R8-F21 HydrophobicContact CG-CE2 4.42Å; R8-F21 HydrophobicContact CG-CZ 4.3Å; R8-L22 CarbonylContact C-O 3.59Å; R8-L22 WeakPolarHBondContact CA-O 3.37Å; R8-D23 WeakPolarHBondContact CG-OD1 3.44Å; R8-Y73 HydrophobicContact CB-CE1 4.44Å
9E98.3Very high94.3Very high46 Ų4691.6 Ų91.622%0.21541%0.414CS..EExtended strand (participates in β ladder)trans-114.6137-174.6-51174.4-161.100109.7K7 H11 F21 L22 R24K7-E9 HydrophobicContact CB-CG 4.4Å; E9-H11 IonicContact OE2-CE1 3.72Å; E9-H11 IonicContact OE2-NE2 2.92Å; E9-H11 PolarHBondContact OE2-NE2 3.42Å; E9-F21 WeakPolarHBondContact O-CA 3.35Å; E9-F21 WeakPolarHBondContact O-CD2 3.39Å; E9-L22 HydrophobicContact CB-CB 4.21Å; E9-L22 PolarHBondContact N-O 3.12Å; E9-L22 PolarHBondContact O-N 2.8Å; E9-R24 WeakPolarHBondContact OE1-CD 3.13Å; E9-R24 IonicContact OE1-CZ 3.86Å; E9-R24 IonicContact OE1-NH1 2.9Å; E9-R24 PolarHBondContact OE1-NH1 3.02Å
10C97.3Very high94.5Very high30 Ų3090.5 Ų90.520%0.20341%0.406CS..EExtended strand (participates in β ladder)trans-118.6113.8172.9-63.90000108.6F12 C74C10-F12 HydrophobicContact CB-CD2 4.27Å; C10-F12 HydrophobicContact CB-CE2 3.39Å; C10-F12 HydrophobicContact CB-CZ 3.67Å; C10-F12 WeakPolarHBondContact O-CD2 3.26Å; C10-F12 WeakPolarHBondContact O-CE2 3.27Å; C10-C74 HydrophobicContact CB-CB 3.63Å; C10-C74 WeakPolarHBondContact CB-SG 3.45Å; C10-C74 WeakPolarHBondContact SG-CA 3.5Å; C10-C74 WeakPolarHBondContact SG-CB 3.35Å; C10-C74 CovalentContact SG-SG 2.04Å; C10-C74 PolarHBondContact SG-SG 2.94Å
11H95.9Very high94.7Very high70 Ų7086.5 Ų86.532%0.32439%0.389SS..EExtended strand (participates in β ladder)trans-101.8120.9179.1-67-111000108.5E9 F13 V19 R20E9-H11 IonicContact OE2-CE1 3.72Å; E9-H11 IonicContact OE2-NE2 2.92Å; E9-H11 PolarHBondContact OE2-NE2 3.42Å; H11-F13 HydrophobicContact CB-CE2 4.04Å; H11-F13 HydrophobicContact CB-CZ 4.24Å; H11-V19 CarbonylContact O-C 3.59Å; H11-V19 WeakPolarHBondContact O-CA 3.5Å; H11-R20 HydrophobicContact CB-CB 4.27Å; H11-R20 PolarHBondContact N-O 2.81Å; H11-R20 PolarHBondContact O-N 3.39Å
12F93.7Very high95.4Very high31 Ų3173 Ų7314%0.13634%0.338CS..EExtended strand (participates in β ladder)trans-111.6129.8-173.5-64.9-88.9000109.2C10 G15 T16 V19 C74 Y78 R88C10-F12 HydrophobicContact CB-CD2 4.27Å; C10-F12 HydrophobicContact CB-CE2 3.39Å; C10-F12 HydrophobicContact CB-CZ 3.67Å; C10-F12 WeakPolarHBondContact O-CD2 3.26Å; C10-F12 WeakPolarHBondContact O-CE2 3.27Å; F12-G15 WeakPolarHBondContact CB-O 3.09Å; F12-T16 HydrophobicContact CD1-CG2 4.44Å; F12-V19 HydrophobicContact CD1-CG1 4.1Å; F12-V19 HydrophobicContact CD1-CG2 3.74Å; F12-V19 HydrophobicContact CE1-CG1 3.88Å; F12-V19 HydrophobicContact CE1-CG2 3.99Å; F12-V19 HydrophobicContact CZ-CG1 4.44Å; F12-C74 HydrophobicContact CE1-CB 4.34Å; F12-C74 HydrophobicContact CZ-CB 4.02Å; F12-C74 WeakPolarHBondContact CZ-O 3.36Å; F12-Y78 AromaticContact CD1-CD2 3.63Å; F12-Y78 HydrophobicContact CD1-CD2 3.63Å; F12-Y78 HydrophobicContact CD1-CE2 4.21Å; F12-Y78 HydrophobicContact CD1-CG 4.07Å; F12-Y78 HydrophobicContact CD2-CD2 4.21Å; F12-Y78 AromaticContact CE1-CD2 3.6Å; F12-Y78 HydrophobicContact CE1-CD2 3.6Å; F12-Y78 AromaticContact CE1-CG 3.73Å; F12-Y78 HydrophobicContact CE1-CG 3.73Å; F12-Y78 HydrophobicContact CE2-CD2 4.14Å; F12-Y78 AromaticContact CG-CD2 3.96Å; F12-Y78 HydrophobicContact CG-CD2 3.96Å; F12-Y78 HydrophobicContact CG-CE2 4.3Å; F12-Y78 AromaticContact CZ-CD2 3.85Å; F12-Y78 HydrophobicContact CZ-CD2 3.85Å; F12-Y78 HydrophobicContact CZ-CG 4.15Å; F12-R88 VanDerWaalsContact CD2-NH1 3.26Å
13F92.5Very high95.7Very high94 Ų9467.5 Ų67.541%0.41232%0.315SS..EExtended strand (participates in β ladder)trans-124.4127.4177.6-53.6-87.9000108.6H11 R18 R20H11-F13 HydrophobicContact CB-CE2 4.04Å; H11-F13 HydrophobicContact CB-CZ 4.24Å; F13-R18 HydrophobicContact CB-CB 4.25Å; F13-R18 HydrophobicContact CD2-CB 4.41Å; F13-R18 HydrophobicContact CD2-CG 4.16Å; F13-R18 PolarHBondContact N-O 3.24Å; F13-R18 PolarHBondContact O-N 3.11Å; F13-R20 HydrophobicContact CE2-CB 4.43Å
14N90.1Very high95.8Very high104 Ų10465.4 Ų65.456%0.55630%0.3SS*.THydrogen-bonded Turntrans50.957.1-174.9-56.2-20.2000112T16 E17 R89N14-T16 PolarHBondContact O-N 3.16Å; N14-E17 HydrophobicContact CB-CB 4.24Å; N14-E17 VanDerWaalsContact CB-OE2 3.31Å; N14-E17 WeakPolarHBondContact CB-OE2 3.1Å; N14-E17 PolarHBondContact ND2-OE2 3.16Å; N14-E17 VanDerWaalsContact ND2-OE2 3.14Å; N14-E17 WeakPolarHBondContact O-CB 3.3Å; N14-E17 PolarHBondContact O-N 3.21Å; N14-R89 VanDerWaalsContact CA-OXT 3.26Å; N14-R89 WeakPolarHBondContact CA-OXT 3.21Å; N14-R89 PolarHBondContact N-OXT 3.41Å; N14-R89 PolarHBondContact OD1-OXT 2.71Å
15G87.6Confident95.9Very high14 Ų1461.8 Ų61.814%0.14429%0.287CS..THydrogen-bonded Turntrans68.8-117.8-17300000111.7F12 R88F12-G15 WeakPolarHBondContact CB-O 3.09Å; G15-R88 VanDerWaalsContact CA-O 3.27Å; G15-R88 WeakPolarHBondContact CA-O 3.49Å; G15-R88 PolarHBondContact N-O 3.41Å
16T92.7Very high95.9Very high61 Ų6158.9 Ų58.937%0.37427%0.273SS..THydrogen-bonded Turntrans-1098.2-17956.50000113.8F12 N14 R18 R75 Y78F12-T16 HydrophobicContact CD1-CG2 4.44Å; N14-T16 PolarHBondContact O-N 3.16Å; T16-R18 PolarHBondContact O-N 3.23Å; T16-R75 PolarHBondContact O-NE 3.22Å; T16-Y78 HydrophobicContact CG2-CD1 3.29Å; T16-Y78 HydrophobicContact CG2-CE1 3.61Å; T16-Y78 HydrophobicContact CG2-CG 3.86Å
17E92.2Very high95.9Very high147 Ų14759.8 Ų59.869%0.68727%0.27SS*.THydrogen-bonded Turntrans-56.4-52178.4-174.9-175.9-176.400110.6N14N14-E17 HydrophobicContact CB-CB 4.24Å; N14-E17 VanDerWaalsContact CB-OE2 3.31Å; N14-E17 WeakPolarHBondContact CB-OE2 3.1Å; N14-E17 PolarHBondContact ND2-OE2 3.16Å; N14-E17 VanDerWaalsContact ND2-OE2 3.14Å; N14-E17 WeakPolarHBondContact O-CB 3.3Å; N14-E17 PolarHBondContact O-N 3.21Å
18R95.4Very high95.6Very high139 Ų13959.8 Ų59.853%0.52527%0.274SS..EExtended strand (participates in β ladder)trans-124125.1171.1-177.5-179.7177.2-172.6-1.3110.1F13 T16 D38F13-R18 HydrophobicContact CB-CB 4.25Å; F13-R18 HydrophobicContact CD2-CB 4.41Å; F13-R18 HydrophobicContact CD2-CG 4.16Å; F13-R18 PolarHBondContact N-O 3.24Å; F13-R18 PolarHBondContact O-N 3.11Å; T16-R18 PolarHBondContact O-N 3.23Å; R18-D38 IonicContact CZ-OD2 3.78Å; R18-D38 IonicContact NH2-OD2 2.74Å; R18-D38 PolarHBondContact NH2-OD2 3.49Å
19V97.1Very high95.4Very high8 Ų861.2 Ų61.25%0.04829%0.287CS..EExtended strand (participates in β ladder)trans-126.4129.4178.6-176.10000108.4H11 F12 V70 C74 R75H11-V19 CarbonylContact O-C 3.59Å; H11-V19 WeakPolarHBondContact O-CA 3.5Å; F12-V19 HydrophobicContact CD1-CG1 4.1Å; F12-V19 HydrophobicContact CD1-CG2 3.74Å; F12-V19 HydrophobicContact CE1-CG1 3.88Å; F12-V19 HydrophobicContact CE1-CG2 3.99Å; F12-V19 HydrophobicContact CZ-CG1 4.44Å; V19-V70 HydrophobicContact CB-CG1 3.72Å; V19-V70 HydrophobicContact CG1-CG1 3.88Å; V19-V70 WeakPolarHBondContact O-CG1 3.31Å; V19-C74 HydrophobicContact CG1-CB 3.54Å; V19-R75 HydrophobicContact CG2-CG 4Å
20R98.3Very high95.4Very high69 Ų6963.8 Ų63.826%0.2630%0.299SS..EExtended strand (participates in β ladder)trans-115.4126.9175.1178.8179.1177.7-160.3-1.8110H11 F13 D36 S37H11-R20 HydrophobicContact CB-CB 4.27Å; H11-R20 PolarHBondContact N-O 2.81Å; H11-R20 PolarHBondContact O-N 3.39Å; F13-R20 HydrophobicContact CE2-CB 4.43Å; R20-D36 IonicContact CZ-OD1 3.46Å; R20-D36 IonicContact CZ-OD2 3.33Å; R20-D36 VanDerWaalsContact CZ-OD2 3.31Å; R20-D36 IonicContact NE-OD1 3.31Å; R20-D36 PolarHBondContact NE-OD1 2.82Å; R20-D36 IonicContact NE-OD2 2.89Å; R20-D36 PolarHBondContact NE-OD2 2.9Å; R20-D36 IonicContact NH2-OD1 3.71Å; R20-D36 IonicContact NH2-OD2 2.85Å; R20-D36 PolarHBondContact NH2-OD2 2.92Å; R20-S37 WeakPolarHBondContact CA-OG 3.41Å
21F98.7Very high95.5Very high7 Ų763.5 Ų63.53%0.03130%0.295CS..EExtended strand (participates in β ladder)trans-102.5132.1175.8176.7-111.9000110.3R8 E9 D23 F35 S37 A69 V70 Y73 C74R8-F21 HydrophobicContact CB-CE2 4.04Å; R8-F21 HydrophobicContact CB-CZ 4.41Å; R8-F21 HydrophobicContact CG-CE2 4.42Å; R8-F21 HydrophobicContact CG-CZ 4.3Å; E9-F21 WeakPolarHBondContact O-CA 3.35Å; E9-F21 WeakPolarHBondContact O-CD2 3.39Å; F21-D23 HydrophobicContact CE1-CB 3.88Å; F21-D23 HydrophobicContact CZ-CB 3.91Å; F21-F35 AromaticContact CD1-CD1 3.9Å; F21-F35 HydrophobicContact CD1-CD1 3.9Å; F21-F35 HydrophobicContact CD1-CE1 4.08Å; F21-F35 HydrophobicContact CE1-CD1 4.19Å; F21-S37 PolarHBondContact N-OG 2.87Å; F21-S37 PolarHBondContact O-N 2.85Å; F21-S37 PolarHBondContact O-OG 3.5Å; F21-A69 HydrophobicContact CD1-CB 3.56Å; F21-A69 HydrophobicContact CD2-CB 4.3Å; F21-A69 HydrophobicContact CE1-CB 3.5Å; F21-A69 HydrophobicContact CE2-CB 4.24Å; F21-A69 HydrophobicContact CG-CB 3.96Å; F21-A69 HydrophobicContact CZ-CB 3.86Å; F21-V70 HydrophobicContact CB-CG2 3.95Å; F21-Y73 HydrophobicContact CD2-CD1 4.46Å; F21-Y73 HydrophobicContact CE2-CD1 4.08Å; F21-Y73 HydrophobicContact CE2-CE1 4.44Å; F21-C74 VanDerWaalsContact CD2-SG 3.57Å
22L98.7Very high95.6Very high9 Ų960.2 Ų60.25%0.04728%0.28CS..EExtended strand (participates in β ladder)trans-121.6129.3171.7-60.7170.2000109.2R8 E9 R24 F35 D36R8-L22 CarbonylContact C-O 3.59Å; R8-L22 WeakPolarHBondContact CA-O 3.37Å; E9-L22 HydrophobicContact CB-CB 4.21Å; E9-L22 PolarHBondContact N-O 3.12Å; E9-L22 PolarHBondContact O-N 2.8Å; L22-R24 HydrophobicContact CB-CG 4.12Å; L22-F35 WeakPolarHBondContact CA-O 3.42Å; L22-D36 HydrophobicContact CD2-CB 3.83Å
23D98.5Very high95.8Very high17 Ų1758.7 Ų58.79%0.09127%0.273CS..EExtended strand (participates in β ladder)trans-116.1111.3166.7-159.5-2.5000108.9R8 F21 Y25 R34 F35R8-D23 WeakPolarHBondContact CG-OD1 3.44Å; F21-D23 HydrophobicContact CE1-CB 3.88Å; F21-D23 HydrophobicContact CZ-CB 3.91Å; D23-Y25 HydrophobicContact CB-CE2 4.48Å; D23-Y25 PolarHBondContact OD2-OH 3.24Å; D23-R34 CarbonylContact O-C 3.5Å; D23-R34 VanDerWaalsContact O-CA 3.26Å; D23-R34 WeakPolarHBondContact O-CA 3.47Å; D23-F35 HydrophobicContact CB-CB 4.11Å; D23-F35 PolarHBondContact N-O 2.71Å; D23-F35 PolarHBondContact O-N 3Å
24R98.6Very high96.1Very high52 Ų5258.2 Ų58.220%0.19627%0.269CS..EExtended strand (participates in β ladder)trans-122.8134.6-166.8-57.7172.769.7-1664110.1P6 K7 E9 L22 F26 E31 R34P6-R24 CarbonylContact C-O 3.49Å; P6-R24 WeakPolarHBondContact CA-O 3.44Å; K7-R24 HydrophobicContact CB-CB 4.4Å; K7-R24 PolarHBondContact N-O 2.95Å; K7-R24 PolarHBondContact O-N 2.83Å; E9-R24 WeakPolarHBondContact OE1-CD 3.13Å; E9-R24 IonicContact OE1-CZ 3.86Å; E9-R24 IonicContact OE1-NH1 2.9Å; E9-R24 PolarHBondContact OE1-NH1 3.02Å; L22-R24 HydrophobicContact CB-CG 4.12Å; R24-F26 HydrophobicContact CB-CD2 4.46Å; R24-F26 HydrophobicContact CB-CE2 3.61Å; R24-F26 HydrophobicContact CB-CZ 4.13Å; R24-E31 WeakPolarHBondContact CG-OE1 3.37Å; R24-E31 IonicContact CZ-OE1 3.69Å; R24-E31 IonicContact CZ-OE2 2.74Å; R24-E31 VanDerWaalsContact NE-CD 3.31Å; R24-E31 IonicContact NE-OE1 3.17Å; R24-E31 PolarHBondContact NE-OE1 3.49Å; R24-E31 IonicContact NE-OE2 3.69Å; R24-E31 PolarHBondContact NE-OE2 3.28Å; R24-E31 IonicContact NH2-OE1 3.69Å; R24-E31 IonicContact NH2-OE2 2.71Å; R24-E31 PolarHBondContact NH2-OE2 3.21Å; R24-R34 HydrophobicContact CG-CB 4.43Å; R24-R34 HydrophobicContact CG-CG 4Å
25Y98.2Very high96.5Very high31 Ų3153.2 Ų53.212%0.12224%0.242CC..EExtended strand (participates in β ladder)trans-120128.6-177.5-61-93.2000110.7W4 P6 D23 E31 S32 V33 F42 W56W4-Y25 AromaticContact CH2-CD1 3.8Å; W4-Y25 HydrophobicContact CH2-CD1 3.8Å; W4-Y25 AromaticContact CH2-CE1 3.9Å; W4-Y25 HydrophobicContact CH2-CE1 3.9Å; W4-Y25 AromaticContact CZ2-CD1 3.34Å; W4-Y25 HydrophobicContact CZ2-CD1 3.34Å; W4-Y25 AromaticContact CZ2-CE1 3.8Å; W4-Y25 HydrophobicContact CZ2-CE1 3.8Å; W4-Y25 HydrophobicContact CZ2-CG 4.44Å; P6-Y25 HydrophobicContact CB-CD1 4.04Å; P6-Y25 HydrophobicContact CB-CE1 4.05Å; D23-Y25 HydrophobicContact CB-CE2 4.48Å; D23-Y25 PolarHBondContact OD2-OH 3.24Å; Y25-E31 CarbonylContact O-C 3.53Å; Y25-E31 WeakPolarHBondContact O-CA 3.43Å; Y25-S32 PolarHBondContact O-N 3.21Å; Y25-S32 PolarHBondContact O-OG 2.93Å; Y25-V33 HydrophobicContact CD2-CG1 3.74Å; Y25-V33 HydrophobicContact CG-CG1 3.99Å; Y25-V33 PolarHBondContact N-O 3.41Å; Y25-F42 HydrophobicContact CE2-CE1 4.19Å; Y25-W56 HydrophobicContact CD1-CH2 4.14Å; Y25-W56 AromaticContact CD2-CH2 3.74Å; Y25-W56 HydrophobicContact CD2-CH2 3.74Å; Y25-W56 AromaticContact CD2-CZ3 3.66Å; Y25-W56 HydrophobicContact CD2-CZ3 3.66Å; Y25-W56 AromaticContact CE1-CH2 3.9Å; Y25-W56 HydrophobicContact CE1-CH2 3.9Å; Y25-W56 AromaticContact CE2-CH2 3.49Å; Y25-W56 HydrophobicContact CE2-CH2 3.49Å; Y25-W56 VanDerWaalsContact CE2-CH2 3.49Å; Y25-W56 AromaticContact CE2-CZ3 3.41Å; Y25-W56 HydrophobicContact CE2-CZ3 3.41Å; Y25-W56 VanDerWaalsContact CE2-CZ3 3.41Å; Y25-W56 HydrophobicContact CG-CH2 4.02Å; Y25-W56 HydrophobicContact CG-CZ3 4.36Å; Y25-W56 AromaticContact CZ-CH2 3.55Å; Y25-W56 AromaticContact CZ-CZ3 3.92Å
26F98.1Very high97Very high21 Ų2153.4 Ų53.49%0.09224%0.24CC..EExtended strand (participates in β ladder)trans-118.7136.4-173.7-61.5-98.9000111.9W4 Q5 K7 R24 E30 E31W4-F26 WeakPolarHBondContact CA-O 3.37Å; Q5-F26 HydrophobicContact CB-CB 4.42Å; Q5-F26 PolarHBondContact N-O 3.26Å; Q5-F26 WeakPolarHBondContact O-CD2 3.27Å; Q5-F26 PolarHBondContact O-N 3.25Å; K7-F26 HydrophobicContact CB-CE2 4.09Å; K7-F26 HydrophobicContact CD-CD2 4.45Å; K7-F26 HydrophobicContact CD-CE2 3.73Å; K7-F26 HydrophobicContact CD-CZ 4.23Å; K7-F26 HydrophobicContact CG-CD2 4.24Å; K7-F26 HydrophobicContact CG-CE2 3.81Å; R24-F26 HydrophobicContact CB-CD2 4.46Å; R24-F26 HydrophobicContact CB-CE2 3.61Å; R24-F26 HydrophobicContact CB-CZ 4.13Å; F26-E30 CarbonylContact C-O 3.46Å; F26-E30 WeakPolarHBondContact CA-O 3.49Å; F26-E31 HydrophobicContact CD1-CB 3.82Å; F26-E31 HydrophobicContact CE1-CB 3.62Å; F26-E31 HydrophobicContact CE1-CG 4.19Å; F26-E31 HydrophobicContact CZ-CB 4.25Å; F26-E31 HydrophobicContact CZ-CG 4.33Å
27Y95.8Very high97.3Very high70 Ų7051.8 Ų51.828%0.27523%0.231SC..EExtended strand (participates in β ladder)trans-112.9114.4167.4-82.3-83.6000109.3F2 W4 Q29 E30 S32 L48F2-Y27 AromaticContact CE2-CD1 3.48Å; F2-Y27 HydrophobicContact CE2-CD1 3.48Å; F2-Y27 VanDerWaalsContact CE2-CD1 3.48Å; F2-Y27 AromaticContact CE2-CE1 3.6Å; F2-Y27 HydrophobicContact CE2-CE1 3.6Å; F2-Y27 AromaticContact CZ-CD1 3.81Å; F2-Y27 HydrophobicContact CZ-CD1 3.81Å; F2-Y27 AromaticContact CZ-CE1 3.6Å; F2-Y27 HydrophobicContact CZ-CE1 3.6Å; W4-Y27 AromaticContact CD1-CD1 3.86Å; W4-Y27 AromaticContact CD1-CD2 3.96Å; W4-Y27 AromaticContact CD1-CE1 3.49Å; W4-Y27 VanDerWaalsContact CD1-CE1 3.49Å; W4-Y27 AromaticContact CD1-CE2 3.59Å; W4-Y27 AromaticContact CD1-CZ 3.34Å; W4-Y27 HydrophobicContact CG-CE1 4.4Å; W4-Y27 AromaticContact NE1-CE2 3.68Å; W4-Y27 AromaticContact NE1-CZ 3.66Å; Y27-Q29 PolarHBondContact O-N 3.31Å; Y27-Q29 VanDerWaalsContact O-N 3.11Å; Y27-E30 PolarHBondContact N-O 2.92Å; Y27-E30 WeakPolarHBondContact O-CB 3.45Å; Y27-E30 PolarHBondContact O-N 3.49Å; Y27-S32 WeakPolarHBondContact CD2-OG 3.03Å; Y27-L48 HydrophobicContact CD1-CD2 4.43Å; Y27-L48 HydrophobicContact CD2-CD2 3.65Å; Y27-L48 HydrophobicContact CE2-CD2 4.14Å; Y27-L48 HydrophobicContact CG-CD2 3.81Å
28N92.7Very high97.6Very high86 Ų8648.7 Ų48.746%0.4622%0.219SC..THydrogen-bonded Turntrans4938.8178.6-61.2-36.6000114.5R1 F2 L3R1-N28 PolarHBondContact O-OD1 3.34Å; F2-N28 VanDerWaalsContact CA-OD1 3.3Å; F2-N28 WeakPolarHBondContact CA-OD1 3.24Å; L3-N28 PolarHBondContact N-OD1 3.43Å; L3-N28 PolarHBondContact O-N 3.14Å
29Q94.3Very high97.8Very high179 Ų17945.2 Ų45.284%0.83621%0.213SC*.THydrogen-bonded Turntrans85-10.2-176.3-48.6169.143.700116Y27Y27-Q29 PolarHBondContact O-N 3.31Å; Y27-Q29 VanDerWaalsContact O-N 3.11Å
30E97.3Very high97.8Very high100 Ų10045.4 Ų45.447%0.46722%0.217SC..EExtended strand (participates in β ladder)trans-85.2122.6172.9-170.9-176.2135.200110F26 Y27 S32 T46F26-E30 CarbonylContact C-O 3.46Å; F26-E30 WeakPolarHBondContact CA-O 3.49Å; Y27-E30 PolarHBondContact N-O 2.92Å; Y27-E30 WeakPolarHBondContact O-CB 3.45Å; Y27-E30 PolarHBondContact O-N 3.49Å; E30-S32 PolarHBondContact O-N 3.4Å; E30-T46 HydrophobicContact CG-CG2 3.87Å; E30-T46 WeakPolarHBondContact OE1-CB 3.47Å; E30-T46 WeakPolarHBondContact OE1-CG2 3.34Å; E30-T46 PolarHBondContact OE1-OG1 3.02Å
31E98.4Very high97.8Very high24 Ų2445.3 Ų45.311%0.11222%0.219CC..EExtended strand (participates in β ladder)trans-71.2117.2172-175.5175.4-167.200109.3R24 Y25 F26 R34 V45R24-E31 WeakPolarHBondContact CG-OE1 3.37Å; R24-E31 IonicContact CZ-OE1 3.69Å; R24-E31 IonicContact CZ-OE2 2.74Å; R24-E31 VanDerWaalsContact NE-CD 3.31Å; R24-E31 IonicContact NE-OE1 3.17Å; R24-E31 PolarHBondContact NE-OE1 3.49Å; R24-E31 IonicContact NE-OE2 3.69Å; R24-E31 PolarHBondContact NE-OE2 3.28Å; R24-E31 IonicContact NH2-OE1 3.69Å; R24-E31 IonicContact NH2-OE2 2.71Å; R24-E31 PolarHBondContact NH2-OE2 3.21Å; Y25-E31 CarbonylContact O-C 3.53Å; Y25-E31 WeakPolarHBondContact O-CA 3.43Å; F26-E31 HydrophobicContact CD1-CB 3.82Å; F26-E31 HydrophobicContact CE1-CB 3.62Å; F26-E31 HydrophobicContact CE1-CG 4.19Å; F26-E31 HydrophobicContact CZ-CB 4.25Å; F26-E31 HydrophobicContact CZ-CG 4.33Å; E31-R34 WeakPolarHBondContact OE1-CB 3.3Å; E31-R34 WeakPolarHBondContact OE1-CD 3.34Å; E31-R34 IonicContact OE1-NE 3.37Å; E31-V45 HydrophobicContact CB-CG1 4.26Å; E31-V45 HydrophobicContact CG-CB 4.2Å; E31-V45 HydrophobicContact CG-CG1 4.32Å; E31-V45 HydrophobicContact CG-CG2 3.94Å; E31-V45 VanDerWaalsContact O-CB 3.31Å; E31-V45 WeakPolarHBondContact O-CB 3.41Å; E31-V45 WeakPolarHBondContact O-CG1 3.48Å
32S98.2Very high97.8Very high1 Ų145.3 Ų45.31%0.00722%0.219CC..EExtended strand (participates in β ladder)trans-94.3-40-178.259.90000112.7Y25 Y27 E30 V45 T46 G49Y25-S32 PolarHBondContact O-N 3.21Å; Y25-S32 PolarHBondContact O-OG 2.93Å; Y27-S32 WeakPolarHBondContact CD2-OG 3.03Å; E30-S32 PolarHBondContact O-N 3.4Å; S32-V45 PolarHBondContact O-N 3Å; S32-T46 PolarHBondContact O-N 3.37Å; S32-G49 WeakPolarHBondContact O-CA 3.35Å
33V98.6Very high97.8Very high0 Ų051.4 Ų51.40%024%0.242CC..EExtended strand (participates in β ladder)trans-147.9146.3-175.658.90000110.5Y25 F42 R43 N52 A53 W56Y25-V33 HydrophobicContact CD2-CG1 3.74Å; Y25-V33 HydrophobicContact CG-CG1 3.99Å; Y25-V33 PolarHBondContact N-O 3.41Å; V33-F42 HydrophobicContact CG2-CB 4.24Å; V33-F42 HydrophobicContact CG2-CD1 4.33Å; V33-R43 WeakPolarHBondContact CA-O 3.29Å; V33-N52 HydrophobicContact CG1-CB 4.3Å; V33-A53 HydrophobicContact CG2-CB 4.04Å; V33-W56 HydrophobicContact CB-CZ3 4.39Å; V33-W56 HydrophobicContact CG1-CE3 4.47Å; V33-W56 HydrophobicContact CG1-CH2 3.95Å; V33-W56 HydrophobicContact CG1-CZ3 3.52Å; V33-W56 HydrophobicContact CG2-CE3 4.13Å; V33-W56 HydrophobicContact CG2-CZ3 3.89Å
34R98.7Very high97.8Very high83 Ų8352.7 Ų52.731%0.31325%0.254SS..EExtended strand (participates in β ladder)trans-143.2134.5-177.4170.7173.449.8-172.3-7.4112D23 R24 E31 F42 R43 V45D23-R34 CarbonylContact O-C 3.5Å; D23-R34 VanDerWaalsContact O-CA 3.26Å; D23-R34 WeakPolarHBondContact O-CA 3.47Å; R24-R34 HydrophobicContact CG-CB 4.43Å; R24-R34 HydrophobicContact CG-CG 4Å; E31-R34 WeakPolarHBondContact OE1-CB 3.3Å; E31-R34 WeakPolarHBondContact OE1-CD 3.34Å; E31-R34 IonicContact OE1-NE 3.37Å; R34-F42 CarbonylContact O-C 3.56Å; R34-F42 WeakPolarHBondContact O-CA 3.02Å; R34-R43 PolarHBondContact N-O 2.04Å; R34-R43 PolarHBondContact O-N 3.35Å; R34-V45 HydrophobicContact CB-CG2 4.08Å
35F98.8Very high97.8Very high0 Ų053 Ų530%026%0.262CS..EExtended strand (participates in β ladder)trans-91.4138.7156.1-176.9-94000109.8F21 L22 D23 G40 F42 L63 A66 R67F21-F35 AromaticContact CD1-CD1 3.9Å; F21-F35 HydrophobicContact CD1-CD1 3.9Å; F21-F35 HydrophobicContact CD1-CE1 4.08Å; F21-F35 HydrophobicContact CE1-CD1 4.19Å; L22-F35 WeakPolarHBondContact CA-O 3.42Å; D23-F35 HydrophobicContact CB-CB 4.11Å; D23-F35 PolarHBondContact N-O 2.71Å; D23-F35 PolarHBondContact O-N 3Å; F35-G40 VanDerWaalsContact CE2-C 3.5Å; F35-F42 HydrophobicContact CB-CD1 3.65Å; F35-F42 HydrophobicContact CB-CE1 3.57Å; F35-F42 HydrophobicContact CB-CE2 4.42Å; F35-F42 HydrophobicContact CB-CG 4.17Å; F35-F42 HydrophobicContact CB-CZ 3.97Å; F35-F42 AromaticContact CD2-CD2 3.96Å; F35-F42 HydrophobicContact CD2-CD2 3.96Å; F35-F42 AromaticContact CD2-CE2 3.92Å; F35-F42 HydrophobicContact CD2-CE2 3.92Å; F35-F42 HydrophobicContact CD2-CG 4.28Å; F35-F42 HydrophobicContact CD2-CZ 4.23Å; F35-F42 HydrophobicContact CG-CE1 4.42Å; F35-F42 HydrophobicContact CG-CZ 4.37Å; F35-L63 HydrophobicContact CE2-CD1 4.02Å; F35-A66 HydrophobicContact CD1-CB 4.01Å; F35-A66 HydrophobicContact CD2-CB 3.72Å; F35-A66 HydrophobicContact CE1-CB 3.91Å; F35-A66 VanDerWaalsContact CE1-O 3.27Å; F35-A66 WeakPolarHBondContact CE1-O 3.49Å; F35-A66 HydrophobicContact CE2-CB 3.62Å; F35-A66 HydrophobicContact CG-CB 3.92Å; F35-A66 HydrophobicContact CZ-CB 3.72Å; F35-R67 HydrophobicContact CE2-CG 4.31Å; F35-R67 HydrophobicContact CZ-CB 4.49Å; F35-R67 HydrophobicContact CZ-CG 3.88Å
36D98.8Very high97.8Very high18 Ų1853.3 Ų53.310%0.09627%0.267CS..EExtended strand (participates in β ladder)trans-131.3121.3173.1-175.1-7.7000108.9R20 L22 D38 V39 G40R20-D36 IonicContact CZ-OD1 3.46Å; R20-D36 IonicContact CZ-OD2 3.33Å; R20-D36 VanDerWaalsContact CZ-OD2 3.31Å; R20-D36 IonicContact NE-OD1 3.31Å; R20-D36 PolarHBondContact NE-OD1 2.82Å; R20-D36 IonicContact NE-OD2 2.89Å; R20-D36 PolarHBondContact NE-OD2 2.9Å; R20-D36 IonicContact NH2-OD1 3.71Å; R20-D36 IonicContact NH2-OD2 2.85Å; R20-D36 PolarHBondContact NH2-OD2 2.92Å; L22-D36 HydrophobicContact CD2-CB 3.83Å; D36-D38 PolarHBondContact O-N 3.42Å; D36-D38 PolarHBondContact OD1-N 3.11Å; D36-D38 VanDerWaalsContact OD1-N 3.13Å; D36-V39 HydrophobicContact CB-CB 4.26Å; D36-V39 HydrophobicContact CB-CG2 3.97Å; D36-V39 CarbonylContact O-C 3.57Å; D36-V39 WeakPolarHBondContact O-CA 3.31Å; D36-V39 PolarHBondContact O-N 2.79Å; D36-G40 PolarHBondContact O-N 2.98Å
37S98.6Very high97.8Very high26 Ų2658.5 Ų58.518%0.18229%0.292CS..THydrogen-bonded Turntrans-60.8-27.3-178.661.70000113.4R20 F21 V39 V70R20-S37 WeakPolarHBondContact CA-OG 3.41Å; F21-S37 PolarHBondContact N-OG 2.87Å; F21-S37 PolarHBondContact O-N 2.85Å; F21-S37 PolarHBondContact O-OG 3.5Å; S37-V39 PolarHBondContact O-N 2.84Å; S37-V70 VanDerWaalsContact CB-CG2 3.46Å
38D98.4Very high97.8Very high82 Ų8259.9 Ų59.944%0.43930%0.303SS..THydrogen-bonded Turntrans-72.2-18.9176.6-73.610.5000111.6R18 D36R18-D38 IonicContact CZ-OD2 3.78Å; R18-D38 IonicContact NH2-OD2 2.74Å; R18-D38 PolarHBondContact NH2-OD2 3.49Å; D36-D38 PolarHBondContact O-N 3.42Å; D36-D38 PolarHBondContact OD1-N 3.11Å; D36-D38 VanDerWaalsContact OD1-N 3.13Å
39V98.5Very high98Very high67 Ų6755.8 Ų55.841%0.40628%0.281SS..THydrogen-bonded Turntrans-100.1-38.9175.5-174.80000111.3D36 S37 E41D36-V39 HydrophobicContact CB-CB 4.26Å; D36-V39 HydrophobicContact CB-CG2 3.97Å; D36-V39 CarbonylContact O-C 3.57Å; D36-V39 WeakPolarHBondContact O-CA 3.31Å; D36-V39 PolarHBondContact O-N 2.79Å; S37-V39 PolarHBondContact O-N 2.84Å; V39-E41 HydrophobicContact CG1-CG 3.99Å
40G98.4Very high98.3Very high12 Ų1252.9 Ų52.912%0.12426%0.263CS..THydrogen-bonded Turntrans82.317177.500000115.2F35 D36 L63 R67F35-G40 VanDerWaalsContact CE2-C 3.5Å; D36-G40 PolarHBondContact O-N 2.98Å; G40-L63 WeakPolarHBondContact O-CD1 3.41Å; G40-R67 PolarHBondContact O-NE 2.76Å; G40-R67 PolarHBondContact O-NH2 2.83Å
41E98.6Very high98.3Very high67 Ų6751.8 Ų51.831%0.31326%0.264SS..EExtended strand (participates in β ladder)trans-151.5162.7176.678-167.3173.800112.5V39 R43 L63V39-E41 HydrophobicContact CG1-CG 3.99Å; E41-R43 HydrophobicContact CG-CG 4.14Å; E41-R43 IonicContact OE1-CZ 3.61Å; E41-R43 IonicContact OE1-NE 2.83Å; E41-R43 PolarHBondContact OE1-NE 3.02Å; E41-R43 IonicContact OE1-NH2 3.61Å; E41-R43 PolarHBondContact OE1-NH2 3.22Å; E41-L63 HydrophobicContact CB-CD1 4.3Å
42F98.8Very high98.3Very high6 Ų652.9 Ų52.93%0.02627%0.271CS..EExtended strand (participates in β ladder)trans-77.9132.6171.7-67.8-92.6000110.3Y25 V33 R34 F35 A53 W56 N57 I62 L63 A66Y25-F42 HydrophobicContact CE2-CE1 4.19Å; V33-F42 HydrophobicContact CG2-CB 4.24Å; V33-F42 HydrophobicContact CG2-CD1 4.33Å; R34-F42 CarbonylContact O-C 3.56Å; R34-F42 WeakPolarHBondContact O-CA 3.02Å; F35-F42 HydrophobicContact CB-CD1 3.65Å; F35-F42 HydrophobicContact CB-CE1 3.57Å; F35-F42 HydrophobicContact CB-CE2 4.42Å; F35-F42 HydrophobicContact CB-CG 4.17Å; F35-F42 HydrophobicContact CB-CZ 3.97Å; F35-F42 AromaticContact CD2-CD2 3.96Å; F35-F42 HydrophobicContact CD2-CD2 3.96Å; F35-F42 AromaticContact CD2-CE2 3.92Å; F35-F42 HydrophobicContact CD2-CE2 3.92Å; F35-F42 HydrophobicContact CD2-CG 4.28Å; F35-F42 HydrophobicContact CD2-CZ 4.23Å; F35-F42 HydrophobicContact CG-CE1 4.42Å; F35-F42 HydrophobicContact CG-CZ 4.37Å; F42-A53 HydrophobicContact CB-CB 4.36Å; F42-W56 HydrophobicContact CB-CE3 4.38Å; F42-W56 HydrophobicContact CD1-CD2 4.35Å; F42-W56 AromaticContact CD1-CE3 3.3Å; F42-W56 HydrophobicContact CD1-CE3 3.3Å; F42-W56 AromaticContact CD1-CZ3 3.76Å; F42-W56 HydrophobicContact CD1-CZ3 3.76Å; F42-W56 HydrophobicContact CD2-CB 3.72Å; F42-W56 HydrophobicContact CD2-CE3 4.41Å; F42-W56 HydrophobicContact CE1-CD2 4.33Å; F42-W56 AromaticContact CE1-CE3 3.49Å; F42-W56 HydrophobicContact CE1-CE3 3.49Å; F42-W56 VanDerWaalsContact CE1-CE3 3.49Å; F42-W56 AromaticContact CE1-CZ3 3.82Å; F42-W56 HydrophobicContact CE1-CZ3 3.82Å; F42-W56 HydrophobicContact CE2-CB 3.98Å; F42-W56 HydrophobicContact CG-CB 4.07Å; F42-W56 AromaticContact CG-CE3 3.79Å; F42-W56 HydrophobicContact CG-CE3 3.79Å; F42-W56 HydrophobicContact CZ-CE3 4.17Å; F42-N57 PolarHBondContact N-OD1 2.85Å; F42-N57 PolarHBondContact O-ND2 3.16Å; F42-I62 HydrophobicContact CE2-CG2 4.04Å; F42-I62 HydrophobicContact CZ-CG2 4.28Å; F42-L63 HydrophobicContact CD2-CD1 4.38Å; F42-A66 HydrophobicContact CE2-CB 4.08Å; F42-A66 HydrophobicContact CZ-CB 4.08Å
43R98.7Very high98.3Very high138 Ų13853.2 Ų53.252%0.52127%0.274SS..EExtended strand (participates in β ladder)trans-123.3134.7173.4-68.4-167172.41761.3110.9V33 R34 E41 V45V33-R43 WeakPolarHBondContact CA-O 3.29Å; R34-R43 PolarHBondContact N-O 2.04Å; R34-R43 PolarHBondContact O-N 3.35Å; E41-R43 HydrophobicContact CG-CG 4.14Å; E41-R43 IonicContact OE1-CZ 3.61Å; E41-R43 IonicContact OE1-NE 2.83Å; E41-R43 PolarHBondContact OE1-NE 3.02Å; E41-R43 IonicContact OE1-NH2 3.61Å; E41-R43 PolarHBondContact OE1-NH2 3.22Å; R43-V45 PolarHBondContact O-N 3.38Å
44A98.4Very high98.3Very high43 Ų4359.1 Ų59.136%0.35530%0.301SS..EExtended strand (participates in β ladder)trans-64.6128167.800000109R50 A53A44-R50 HydrophobicContact CB-CB 4.25Å; A44-A53 HydrophobicContact CB-CB 4.26Å
45V98.3Very high98.3Very high60 Ų6061.6 Ų61.636%0.36431%0.312SS..SBendtrans-91.2-33.2172.5177.10000109.5E31 S32 R34 R43E31-V45 HydrophobicContact CB-CG1 4.26Å; E31-V45 HydrophobicContact CG-CB 4.2Å; E31-V45 HydrophobicContact CG-CG1 4.32Å; E31-V45 HydrophobicContact CG-CG2 3.94Å; E31-V45 VanDerWaalsContact O-CB 3.31Å; E31-V45 WeakPolarHBondContact O-CB 3.41Å; E31-V45 WeakPolarHBondContact O-CG1 3.48Å; S32-V45 PolarHBondContact O-N 3Å; R34-V45 HydrophobicContact CB-CG2 4.08Å; R43-V45 PolarHBondContact O-N 3.38Å
46T97.8Very high98.3Very high37 Ų3763.6 Ų63.623%0.22732%0.319CS..SBendtrans-130.6167.1169.9720000111.3E30 S32 L48 G49E30-T46 HydrophobicContact CG-CG2 3.87Å; E30-T46 WeakPolarHBondContact OE1-CB 3.47Å; E30-T46 WeakPolarHBondContact OE1-CG2 3.34Å; E30-T46 PolarHBondContact OE1-OG1 3.02Å; S32-T46 PolarHBondContact O-N 3.37Å; T46-L48 PolarHBondContact O-N 3.37Å; T46-L48 VanDerWaalsContact O-N 3.14Å; T46-G49 PolarHBondContact O-N 2.83Å
47E97.3Very high98.3Very high130 Ų13065 Ų6561%0.60733%0.326SS*.G310 helixtrans-55.5-33.5-177.4-68.3-61.7113.400112.9G49 R50E47-G49 PolarHBondContact O-N 2.87Å; E47-R50 WeakPolarHBondContact O-CB 3.21Å; E47-R50 PolarHBondContact O-N 2.81Å; E47-R50 IonicContact OE1-CZ 2.72Å; E47-R50 IonicContact OE1-NH2 3.8Å; E47-R50 PolarHBondContact OE1-NH2 2.57Å; E47-R50 IonicContact OE2-CZ 2.81Å; E47-R50 IonicContact OE2-NE 3.66Å; E47-R50 IonicContact OE2-NH1 2.63Å; E47-R50 IonicContact OE2-NH2 3.6Å; E47-R50 PolarHBondContact OE2-NH2 2.84Å
48L96.2Very high98.3Very high98 Ų9867.8 Ų67.851%0.51335%0.346SS..G310 helixtrans-60.1-31.1177.3-175.865.5000112.6Y27 T46Y27-L48 HydrophobicContact CD1-CD2 4.43Å; Y27-L48 HydrophobicContact CD2-CD2 3.65Å; Y27-L48 HydrophobicContact CE2-CD2 4.14Å; Y27-L48 HydrophobicContact CG-CD2 3.81Å; T46-L48 PolarHBondContact O-N 3.37Å; T46-L48 VanDerWaalsContact O-N 3.14Å
49G98Very high98.3Very high0 Ų066 Ų660%034%0.335CS..G310 helixtrans-85.8-10.6-178.800000115.1S32 T46 E47 N52 A53S32-G49 WeakPolarHBondContact O-CA 3.35Å; T46-G49 PolarHBondContact O-N 2.83Å; E47-G49 PolarHBondContact O-N 2.87Å; G49-N52 PolarHBondContact O-N 2.89Å; G49-N52 VanDerWaalsContact O-N 3.17Å; G49-A53 PolarHBondContact O-N 3.33Å
50R98.6Very high98.3Very high119 Ų11971.1 Ų71.145%0.44935%0.352SS..Hα-helixtrans-52.3-52.6-179.6-170.7-179.2-61.5-1761.1113.7A44 E47 N52 A53 E54A44-R50 HydrophobicContact CB-CB 4.25Å; E47-R50 WeakPolarHBondContact O-CB 3.21Å; E47-R50 PolarHBondContact O-N 2.81Å; E47-R50 IonicContact OE1-CZ 2.72Å; E47-R50 IonicContact OE1-NH2 3.8Å; E47-R50 PolarHBondContact OE1-NH2 2.57Å; E47-R50 IonicContact OE2-CZ 2.81Å; E47-R50 IonicContact OE2-NE 3.66Å; E47-R50 IonicContact OE2-NH1 2.63Å; E47-R50 IonicContact OE2-NH2 3.6Å; E47-R50 PolarHBondContact OE2-NH2 2.84Å; R50-N52 VanDerWaalsContact C-N 3.26Å; R50-N52 PolarHBondContact O-N 3.27Å; R50-A53 PolarHBondContact O-N 3.48Å; R50-E54 WeakPolarHBondContact CG-OE1 3.37Å; R50-E54 WeakPolarHBondContact O-CG 3.42Å; R50-E54 PolarHBondContact O-N 2.96Å
51P98.4Very high98.2Very high77 Ų7775.9 Ų75.950%0.538%0.375SS..Hα-helixtrans-61.4-35.3179.823.4-34.7000112.7Y55P51-Y55 WeakPolarHBondContact O-CB 3.41Å; P51-Y55 PolarHBondContact O-N 2.92Å
52N97.9Very high98.2Very high47 Ų4774.9 Ų74.925%0.25137%0.371SS..Hα-helixtrans-69.7-43.3178.2-67.8-13.5000111.6V33 G49 R50 Y55 W56V33-N52 HydrophobicContact CG1-CB 4.3Å; G49-N52 PolarHBondContact O-N 2.89Å; G49-N52 VanDerWaalsContact O-N 3.17Å; R50-N52 VanDerWaalsContact C-N 3.26Å; R50-N52 PolarHBondContact O-N 3.27Å; N52-Y55 PolarHBondContact O-N 2.81Å; N52-W56 HydrophobicContact CB-CD2 4.43Å; N52-W56 HydrophobicContact CB-CE3 4.33Å; N52-W56 HydrophobicContact CB-CH2 4.36Å; N52-W56 HydrophobicContact CB-CZ2 4.4Å; N52-W56 HydrophobicContact CB-CZ3 4.33Å; N52-W56 WeakPolarHBondContact O-CB 3.38Å; N52-W56 VanDerWaalsContact O-CG 3.23Å; N52-W56 PolarHBondContact O-N 3.07Å
53A98.6Very high98.2Very high7 Ų775.5 Ų75.56%0.05837%0.374CS..Hα-helixtrans-61.7-46.6178.100000111.3V33 F42 A44 G49 R50 N57V33-A53 HydrophobicContact CG2-CB 4.04Å; F42-A53 HydrophobicContact CB-CB 4.36Å; A44-A53 HydrophobicContact CB-CB 4.26Å; G49-A53 PolarHBondContact O-N 3.33Å; R50-A53 PolarHBondContact O-N 3.48Å; A53-N57 VanDerWaalsContact O-CB 3.27Å; A53-N57 WeakPolarHBondContact O-CB 3.39Å; A53-N57 PolarHBondContact O-N 2.91Å; A53-N57 PolarHBondContact O-ND2 3.2Å; A53-N57 VanDerWaalsContact O-ND2 3.16Å
54E98.6Very high98.2Very high125 Ų12573.9 Ų73.958%0.58437%0.373SS*.Hα-helixtrans-61.1-48.4176.5-70.7171.6-173.400111.6R50 N57 S58R50-E54 WeakPolarHBondContact CG-OE1 3.37Å; R50-E54 WeakPolarHBondContact O-CG 3.42Å; R50-E54 PolarHBondContact O-N 2.96Å; E54-N57 PolarHBondContact O-N 3.23Å; E54-S58 WeakPolarHBondContact O-CB 3.44Å; E54-S58 PolarHBondContact O-N 3.13Å
55Y98.6Very high98.2Very high135 Ų13578.7 Ų78.753%0.52939%0.388SS..Hα-helixtrans-62.2-46.7180177.9-118.2000112.7P51 N52 S58 Q59P51-Y55 WeakPolarHBondContact O-CB 3.41Å; P51-Y55 PolarHBondContact O-N 2.92Å; N52-Y55 PolarHBondContact O-N 2.81Å; Y55-S58 PolarHBondContact O-N 2.96Å; Y55-S58 PolarHBondContact O-OG 2.63Å; Y55-Q59 VanDerWaalsContact CD1-NE2 3.32Å; Y55-Q59 VanDerWaalsContact CE2-NE2 3.34Å; Y55-Q59 PolarHBondContact O-N 2.79Å; Y55-Q59 PolarHBondContact O-NE2 2.95Å; Y55-Q59 PolarHBondContact OH-NE2 3.11Å
56W98.6Very high98.2Very high41 Ų4176.3 Ų76.316%0.15538%0.375CS..Hα-helixtrans-70.7-36.5-179.6-64.5-24.4000112.7Y25 V33 F42 N52 S58 Q59 I62Y25-W56 HydrophobicContact CD1-CH2 4.14Å; Y25-W56 AromaticContact CD2-CH2 3.74Å; Y25-W56 HydrophobicContact CD2-CH2 3.74Å; Y25-W56 AromaticContact CD2-CZ3 3.66Å; Y25-W56 HydrophobicContact CD2-CZ3 3.66Å; Y25-W56 AromaticContact CE1-CH2 3.9Å; Y25-W56 HydrophobicContact CE1-CH2 3.9Å; Y25-W56 AromaticContact CE2-CH2 3.49Å; Y25-W56 HydrophobicContact CE2-CH2 3.49Å; Y25-W56 VanDerWaalsContact CE2-CH2 3.49Å; Y25-W56 AromaticContact CE2-CZ3 3.41Å; Y25-W56 HydrophobicContact CE2-CZ3 3.41Å; Y25-W56 VanDerWaalsContact CE2-CZ3 3.41Å; Y25-W56 HydrophobicContact CG-CH2 4.02Å; Y25-W56 HydrophobicContact CG-CZ3 4.36Å; Y25-W56 AromaticContact CZ-CH2 3.55Å; Y25-W56 AromaticContact CZ-CZ3 3.92Å; V33-W56 HydrophobicContact CB-CZ3 4.39Å; V33-W56 HydrophobicContact CG1-CE3 4.47Å; V33-W56 HydrophobicContact CG1-CH2 3.95Å; V33-W56 HydrophobicContact CG1-CZ3 3.52Å; V33-W56 HydrophobicContact CG2-CE3 4.13Å; V33-W56 HydrophobicContact CG2-CZ3 3.89Å; F42-W56 HydrophobicContact CB-CE3 4.38Å; F42-W56 HydrophobicContact CD1-CD2 4.35Å; F42-W56 AromaticContact CD1-CE3 3.3Å; F42-W56 HydrophobicContact CD1-CE3 3.3Å; F42-W56 AromaticContact CD1-CZ3 3.76Å; F42-W56 HydrophobicContact CD1-CZ3 3.76Å; F42-W56 HydrophobicContact CD2-CB 3.72Å; F42-W56 HydrophobicContact CD2-CE3 4.41Å; F42-W56 HydrophobicContact CE1-CD2 4.33Å; F42-W56 AromaticContact CE1-CE3 3.49Å; F42-W56 HydrophobicContact CE1-CE3 3.49Å; F42-W56 VanDerWaalsContact CE1-CE3 3.49Å; F42-W56 AromaticContact CE1-CZ3 3.82Å; F42-W56 HydrophobicContact CE1-CZ3 3.82Å; F42-W56 HydrophobicContact CE2-CB 3.98Å; F42-W56 HydrophobicContact CG-CB 4.07Å; F42-W56 AromaticContact CG-CE3 3.79Å; F42-W56 HydrophobicContact CG-CE3 3.79Å; F42-W56 HydrophobicContact CZ-CE3 4.17Å; N52-W56 HydrophobicContact CB-CD2 4.43Å; N52-W56 HydrophobicContact CB-CE3 4.33Å; N52-W56 HydrophobicContact CB-CH2 4.36Å; N52-W56 HydrophobicContact CB-CZ2 4.4Å; N52-W56 HydrophobicContact CB-CZ3 4.33Å; N52-W56 WeakPolarHBondContact O-CB 3.38Å; N52-W56 VanDerWaalsContact O-CG 3.23Å; N52-W56 PolarHBondContact O-N 3.07Å; W56-S58 VanDerWaalsContact C-N 3.27Å; W56-S58 PolarHBondContact O-N 3.05Å; W56-Q59 PolarHBondContact O-N 2.86Å; W56-Q59 VanDerWaalsContact O-N 3.17Å; W56-I62 HydrophobicContact CB-CG2 4.39Å
57N98.7Very high98.2Very high47 Ų4779.4 Ų79.425%0.25138%0.382SS..Hα-helixtrans-68.7-26.7174.6-71.5-24.1000112.7F42 A53 E54 Q59F42-N57 PolarHBondContact N-OD1 2.85Å; F42-N57 PolarHBondContact O-ND2 3.16Å; A53-N57 VanDerWaalsContact O-CB 3.27Å; A53-N57 WeakPolarHBondContact O-CB 3.39Å; A53-N57 PolarHBondContact O-N 2.91Å; A53-N57 PolarHBondContact O-ND2 3.2Å; A53-N57 VanDerWaalsContact O-ND2 3.16Å; E54-N57 PolarHBondContact O-N 3.23Å; N57-Q59 VanDerWaalsContact C-N 3.26Å; N57-Q59 PolarHBondContact O-N 3.41Å
58S98.5Very high98.3Very high86 Ų8675.2 Ų75.260%0.60137%0.369SS*.Hα-helixtrans-72.6-19.5173.678.40000113.6E54 Y55 W56E54-S58 WeakPolarHBondContact O-CB 3.44Å; E54-S58 PolarHBondContact O-N 3.13Å; Y55-S58 PolarHBondContact O-N 2.96Å; Y55-S58 PolarHBondContact O-OG 2.63Å; W56-S58 VanDerWaalsContact C-N 3.27Å; W56-S58 PolarHBondContact O-N 3.05Å
59Q98.6Very high98.4Very high44 Ų4471 Ų7121%0.20635%0.349CS..  trans-94.299.6-179.9-76.9177.49600110.6Y55 W56 N57 D61 I62 L63Y55-Q59 VanDerWaalsContact CD1-NE2 3.32Å; Y55-Q59 VanDerWaalsContact CE2-NE2 3.34Å; Y55-Q59 PolarHBondContact O-N 2.79Å; Y55-Q59 PolarHBondContact O-NE2 2.95Å; Y55-Q59 PolarHBondContact OH-NE2 3.11Å; W56-Q59 PolarHBondContact O-N 2.86Å; W56-Q59 VanDerWaalsContact O-N 3.17Å; N57-Q59 VanDerWaalsContact C-N 3.26Å; N57-Q59 PolarHBondContact O-N 3.41Å; Q59-D61 VanDerWaalsContact C-N 3.29Å; Q59-D61 PolarHBondContact O-N 2.77Å; Q59-I62 HydrophobicContact CB-CB 4.03Å; Q59-I62 HydrophobicContact CB-CD1 3.85Å; Q59-I62 HydrophobicContact CB-CG1 3.92Å; Q59-I62 VanDerWaalsContact CD-CD1 3.43Å; Q59-I62 HydrophobicContact CG-CD1 4.28Å; Q59-I62 PolarHBondContact O-N 3.31Å; Q59-L63 WeakPolarHBondContact O-CB 3.45Å; Q59-L63 PolarHBondContact O-N 2.83Å
60K97.9Very high98.4Very high175 Ų17571.7 Ų71.776%0.76135%0.353SS*.Hα-helixtrans-58.4-40.2-174.9-69.5-173.4177.9-178.10113L63 E64K60-L63 PolarHBondContact O-N 3.42Å; K60-E64 WeakPolarHBondContact O-CB 3.36Å; K60-E64 VanDerWaalsContact O-CG 3.27Å; K60-E64 WeakPolarHBondContact O-CG 3.44Å; K60-E64 PolarHBondContact O-N 2.94Å
61D98.2Very high98.4Very high112 Ų11270.5 Ų70.560%0.59936%0.355SS*.Hα-helixtrans-61.7-46.4177.857.6-31000112.1Q59 Q65Q59-D61 VanDerWaalsContact C-N 3.29Å; Q59-D61 PolarHBondContact O-N 2.77Å; D61-Q65 WeakPolarHBondContact O-CB 3.46Å; D61-Q65 PolarHBondContact O-N 2.81Å
62I98Very high98.4Very high45 Ų4571.2 Ų71.223%0.23136%0.359CS..Hα-helixtrans-63.2-45.9176.5-62.6-176.4000110.5F42 W56 Q59 Q65 A66F42-I62 HydrophobicContact CE2-CG2 4.04Å; F42-I62 HydrophobicContact CZ-CG2 4.28Å; W56-I62 HydrophobicContact CB-CG2 4.39Å; Q59-I62 HydrophobicContact CB-CB 4.03Å; Q59-I62 HydrophobicContact CB-CD1 3.85Å; Q59-I62 HydrophobicContact CB-CG1 3.92Å; Q59-I62 VanDerWaalsContact CD-CD1 3.43Å; Q59-I62 HydrophobicContact CG-CD1 4.28Å; Q59-I62 PolarHBondContact O-N 3.31Å; I62-Q65 PolarHBondContact O-N 2.78Å; I62-A66 WeakPolarHBondContact O-CB 3.46Å; I62-A66 PolarHBondContact O-N 2.92Å
63L98.4Very high98.3Very high19 Ų1973.4 Ų73.410%0.09936%0.364CS..Hα-helixtrans-65.5-43-177.4-173.759.4000112.1F35 G40 E41 F42 Q59 K60 A66 R67F35-L63 HydrophobicContact CE2-CD1 4.02Å; G40-L63 WeakPolarHBondContact O-CD1 3.41Å; E41-L63 HydrophobicContact CB-CD1 4.3Å; F42-L63 HydrophobicContact CD2-CD1 4.38Å; Q59-L63 WeakPolarHBondContact O-CB 3.45Å; Q59-L63 PolarHBondContact O-N 2.83Å; K60-L63 PolarHBondContact O-N 3.42Å; L63-A66 PolarHBondContact O-N 2.92Å; L63-R67 VanDerWaalsContact O-CG 3.28Å; L63-R67 WeakPolarHBondContact O-CG 3.29Å; L63-R67 PolarHBondContact O-N 3.02Å
64E98.5Very high98.3Very high105 Ų10573 Ų7349%0.49136%0.361SS..Hα-helixtrans-66.9-38.7175.3-71.6-56.313100111.9K60 A66 R67 A68K60-E64 WeakPolarHBondContact O-CB 3.36Å; K60-E64 VanDerWaalsContact O-CG 3.27Å; K60-E64 WeakPolarHBondContact O-CG 3.44Å; K60-E64 PolarHBondContact O-N 2.94Å; E64-A66 VanDerWaalsContact C-N 3.34Å; E64-A66 PolarHBondContact O-N 3.41Å; E64-R67 PolarHBondContact O-N 3.32Å; E64-R67 IonicContact OE1-CZ 3.96Å; E64-R67 IonicContact OE1-NH1 2.87Å; E64-R67 PolarHBondContact OE1-NH1 3.39Å; E64-A68 WeakPolarHBondContact O-CB 3.15Å; E64-A68 PolarHBondContact O-N 3.31Å
65Q98.3Very high98.2Very high143 Ų14370.8 Ų70.867%0.66835%0.347SS*.Hα-helixtrans-62.3-42.3174.4-172.117917.200111.7D61 I62 A68 A69D61-Q65 WeakPolarHBondContact O-CB 3.46Å; D61-Q65 PolarHBondContact O-N 2.81Å; I62-Q65 PolarHBondContact O-N 2.78Å; Q65-A68 PolarHBondContact O-N 2.78Å; Q65-A69 PolarHBondContact O-N 2.95Å; Q65-A69 VanDerWaalsContact O-N 3.11Å
66A98.3Very high98Very high10 Ų1069.9 Ų69.98%0.08335%0.348CS..Hα-helixtrans-64.3-40.717700000112F35 F42 I62 L63 E64 A69F35-A66 HydrophobicContact CD1-CB 4.01Å; F35-A66 HydrophobicContact CD2-CB 3.72Å; F35-A66 HydrophobicContact CE1-CB 3.91Å; F35-A66 VanDerWaalsContact CE1-O 3.27Å; F35-A66 WeakPolarHBondContact CE1-O 3.49Å; F35-A66 HydrophobicContact CE2-CB 3.62Å; F35-A66 HydrophobicContact CG-CB 3.92Å; F35-A66 HydrophobicContact CZ-CB 3.72Å; F42-A66 HydrophobicContact CE2-CB 4.08Å; F42-A66 HydrophobicContact CZ-CB 4.08Å; I62-A66 WeakPolarHBondContact O-CB 3.46Å; I62-A66 PolarHBondContact O-N 2.92Å; L63-A66 PolarHBondContact O-N 2.92Å; E64-A66 VanDerWaalsContact C-N 3.34Å; E64-A66 PolarHBondContact O-N 3.41Å; A66-A69 VanDerWaalsContact O-CB 3.29Å; A66-A69 WeakPolarHBondContact O-CB 3.04Å; A66-A69 PolarHBondContact O-N 3.2Å
67R98.6Very high97.8Very high103 Ų10370.7 Ų70.739%0.38936%0.355SS..Hα-helixtrans-62.4-42.8173.7-71.5166.3179.1174.8-3.4111.9F35 G40 L63 E64 A69F35-R67 HydrophobicContact CE2-CG 4.31Å; F35-R67 HydrophobicContact CZ-CB 4.49Å; F35-R67 HydrophobicContact CZ-CG 3.88Å; G40-R67 PolarHBondContact O-NE 2.76Å; G40-R67 PolarHBondContact O-NH2 2.83Å; L63-R67 VanDerWaalsContact O-CG 3.28Å; L63-R67 WeakPolarHBondContact O-CG 3.29Å; L63-R67 PolarHBondContact O-N 3.02Å; E64-R67 PolarHBondContact O-N 3.32Å; E64-R67 IonicContact OE1-CZ 3.96Å; E64-R67 IonicContact OE1-NH1 2.87Å; E64-R67 PolarHBondContact OE1-NH1 3.39Å; R67-A69 PolarHBondContact O-N 3.29Å
68A98.6Very high97.6Very high41 Ų4168.9 Ų68.934%0.33935%0.345SS..Hα-helixtrans-72.1-12.5179.300000113.9E64 Q65 V70 D71 T72E64-A68 WeakPolarHBondContact O-CB 3.15Å; E64-A68 PolarHBondContact O-N 3.31Å; Q65-A68 PolarHBondContact O-N 2.78Å; A68-V70 PolarHBondContact O-N 3.35Å; A68-D71 PolarHBondContact O-N 2.96Å; A68-D71 VanDerWaalsContact O-N 3.16Å; A68-T72 HydrophobicContact CB-CG2 4.3Å; A68-T72 WeakPolarHBondContact O-CB 3.36Å; A68-T72 WeakPolarHBondContact O-CG2 3.43Å; A68-T72 PolarHBondContact O-N 2.74Å; A68-T72 PolarHBondContact O-OG1 2.85Å
69A98.5Very high97.2Very high9 Ų967.2 Ų67.27%0.07434%0.341CS..Hα-helixtrans-63.6-23.2-177.700000113.3F21 Q65 A66 R67 D71 T72 Y73 C74F21-A69 HydrophobicContact CD1-CB 3.56Å; F21-A69 HydrophobicContact CD2-CB 4.3Å; F21-A69 HydrophobicContact CE1-CB 3.5Å; F21-A69 HydrophobicContact CE2-CB 4.24Å; F21-A69 HydrophobicContact CG-CB 3.96Å; F21-A69 HydrophobicContact CZ-CB 3.86Å; Q65-A69 PolarHBondContact O-N 2.95Å; Q65-A69 VanDerWaalsContact O-N 3.11Å; A66-A69 VanDerWaalsContact O-CB 3.29Å; A66-A69 WeakPolarHBondContact O-CB 3.04Å; A66-A69 PolarHBondContact O-N 3.2Å; R67-A69 PolarHBondContact O-N 3.29Å; A69-D71 VanDerWaalsContact C-N 3.3Å; A69-D71 PolarHBondContact O-N 2.9Å; A69-T72 WeakPolarHBondContact CA-OG1 3.37Å; A69-Y73 WeakPolarHBondContact O-CA 3.31Å; A69-Y73 VanDerWaalsContact O-CB 3.29Å; A69-Y73 WeakPolarHBondContact O-CB 3.48Å; A69-Y73 PolarHBondContact O-N 3.46Å; A69-C74 PolarHBondContact O-N 3.33Å
70V98.4Very high96.9Very high16 Ų1669 Ų6910%0.09736%0.355CS..Iπ-helixtrans-58-45.2174-171.40000110.8V19 F21 S37 A68 C74 R75V19-V70 HydrophobicContact CB-CG1 3.72Å; V19-V70 HydrophobicContact CG1-CG1 3.88Å; V19-V70 WeakPolarHBondContact O-CG1 3.31Å; F21-V70 HydrophobicContact CB-CG2 3.95Å; S37-V70 VanDerWaalsContact CB-CG2 3.46Å; A68-V70 PolarHBondContact O-N 3.35Å; V70-C74 VanDerWaalsContact O-CB 3.31Å; V70-C74 WeakPolarHBondContact O-CB 3.26Å; V70-R75 VanDerWaalsContact CG1-NH1 3.31Å; V70-R75 PolarHBondContact O-N 3.24Å
71D98.1Very high96.5Very high93 Ų9363.2 Ų63.250%0.49733%0.334SS..Iπ-helixtrans-86-53.3180-71.2-59.4000112.2A68 A69 Y73 R75 H76A68-D71 PolarHBondContact O-N 2.96Å; A68-D71 VanDerWaalsContact O-N 3.16Å; A69-D71 VanDerWaalsContact C-N 3.3Å; A69-D71 PolarHBondContact O-N 2.9Å; D71-Y73 VanDerWaalsContact C-N 3.32Å; D71-Y73 PolarHBondContact O-N 2.89Å; D71-R75 VanDerWaalsContact CG-NH1 3.31Å; D71-R75 WeakPolarHBondContact OD1-CD 3.27Å; D71-R75 IonicContact OD1-CZ 3.53Å; D71-R75 IonicContact OD1-NE 3.8Å; D71-R75 IonicContact OD1-NH1 3.37Å; D71-R75 PolarHBondContact OD1-NH1 2.95Å; D71-R75 IonicContact OD2-NH1 2.57Å; D71-H76 PolarHBondContact O-N 2.78Å
72T97.8Very high95.9Very high93 Ų9360.6 Ų60.657%0.57132%0.318SS*.Iπ-helixtrans-70.9-27.8-17058.40000113.3A68 A69 H76A68-T72 HydrophobicContact CB-CG2 4.3Å; A68-T72 WeakPolarHBondContact O-CB 3.36Å; A68-T72 WeakPolarHBondContact O-CG2 3.43Å; A68-T72 PolarHBondContact O-N 2.74Å; A68-T72 PolarHBondContact O-OG1 2.85Å; A69-T72 WeakPolarHBondContact CA-OG1 3.37Å; T72-H76 VanDerWaalsContact O-CB 3.29Å; T72-H76 WeakPolarHBondContact O-CB 3.29Å
73Y97.3Very high95.3Very high92 Ų9263.4 Ų63.436%0.36134%0.342SS..Iπ-helixtrans-111.2-58.2179.9-178.9-101.4000111.6R8 F21 A69 D71 N77R8-Y73 HydrophobicContact CB-CE1 4.44Å; F21-Y73 HydrophobicContact CD2-CD1 4.46Å; F21-Y73 HydrophobicContact CE2-CD1 4.08Å; F21-Y73 HydrophobicContact CE2-CE1 4.44Å; A69-Y73 WeakPolarHBondContact O-CA 3.31Å; A69-Y73 VanDerWaalsContact O-CB 3.29Å; A69-Y73 WeakPolarHBondContact O-CB 3.48Å; A69-Y73 PolarHBondContact O-N 3.46Å; D71-Y73 VanDerWaalsContact C-N 3.32Å; D71-Y73 PolarHBondContact O-N 2.89Å; Y73-N77 VanDerWaalsContact CD2-ND2 3.27Å; Y73-N77 WeakPolarHBondContact CD2-ND2 3.33Å; Y73-N77 WeakPolarHBondContact CE2-ND2 3.35Å; Y73-N77 VanDerWaalsContact O-CB 3.24Å; Y73-N77 WeakPolarHBondContact O-CB 3.28Å; Y73-N77 PolarHBondContact O-N 3.16Å; Y73-N77 PolarHBondContact O-ND2 2.86Å
74C97.4Very high94.6Very high0 Ų069.7 Ų69.70%037%0.369CS..Iπ-helixtrans-69.2-57.1-172.1-630000112.8C10 F12 V19 F21 A69 V70 H76 N77 Y78C10-C74 HydrophobicContact CB-CB 3.63Å; C10-C74 WeakPolarHBondContact CB-SG 3.45Å; C10-C74 WeakPolarHBondContact SG-CA 3.5Å; C10-C74 WeakPolarHBondContact SG-CB 3.35Å; C10-C74 CovalentContact SG-SG 2.04Å; C10-C74 PolarHBondContact SG-SG 2.94Å; F12-C74 HydrophobicContact CE1-CB 4.34Å; F12-C74 HydrophobicContact CZ-CB 4.02Å; F12-C74 WeakPolarHBondContact CZ-O 3.36Å; V19-C74 HydrophobicContact CG1-CB 3.54Å; F21-C74 VanDerWaalsContact CD2-SG 3.57Å; A69-C74 PolarHBondContact O-N 3.33Å; V70-C74 VanDerWaalsContact O-CB 3.31Å; V70-C74 WeakPolarHBondContact O-CB 3.26Å; C74-H76 PolarHBondContact O-N 3.14Å; C74-N77 PolarHBondContact O-N 3.21Å; C74-Y78 WeakPolarHBondContact O-CB 3.4Å; C74-Y78 PolarHBondContact O-N 3.17Å
75R96.3Very high93.7Very high77 Ų7767.3 Ų67.329%0.29136%0.362SS..Iπ-helixtrans-64.5-40.4180-70.7-172.1-177.993.33.2112.2T16 V19 V70 D71 Y78 G79T16-R75 PolarHBondContact O-NE 3.22Å; V19-R75 HydrophobicContact CG2-CG 4Å; V70-R75 VanDerWaalsContact CG1-NH1 3.31Å; V70-R75 PolarHBondContact O-N 3.24Å; D71-R75 VanDerWaalsContact CG-NH1 3.31Å; D71-R75 WeakPolarHBondContact OD1-CD 3.27Å; D71-R75 IonicContact OD1-CZ 3.53Å; D71-R75 IonicContact OD1-NE 3.8Å; D71-R75 IonicContact OD1-NH1 3.37Å; D71-R75 PolarHBondContact OD1-NH1 2.95Å; D71-R75 IonicContact OD2-NH1 2.57Å; R75-Y78 PolarHBondContact O-N 2.92Å; R75-G79 PolarHBondContact O-N 3.43Å
76H95.5Very high92.6Very high117 Ų11766.7 Ų66.754%0.54237%0.367SS..Hα-helixtrans-54.9-55.1174.3178.271.5000111.8D71 T72 C74 Y78 G79 V80D71-H76 PolarHBondContact O-N 2.78Å; T72-H76 VanDerWaalsContact O-CB 3.29Å; T72-H76 WeakPolarHBondContact O-CB 3.29Å; C74-H76 PolarHBondContact O-N 3.14Å; H76-Y78 VanDerWaalsContact C-N 3.33Å; H76-Y78 PolarHBondContact O-N 2.86Å; H76-G79 PolarHBondContact O-N 2.9Å; H76-V80 WeakPolarHBondContact O-CG2 3.47Å; H76-V80 PolarHBondContact O-N 2.74Å
77N94.5Very high91.3Very high57 Ų5770.6 Ų70.631%0.30538%0.384SS..Hα-helixtrans-65.4-37.2-179.1-72.2-31.4000112.1Y73 C74 G79 V80 V81Y73-N77 VanDerWaalsContact CD2-ND2 3.27Å; Y73-N77 WeakPolarHBondContact CD2-ND2 3.33Å; Y73-N77 WeakPolarHBondContact CE2-ND2 3.35Å; Y73-N77 VanDerWaalsContact O-CB 3.24Å; Y73-N77 WeakPolarHBondContact O-CB 3.28Å; Y73-N77 PolarHBondContact O-N 3.16Å; Y73-N77 PolarHBondContact O-ND2 2.86Å; C74-N77 PolarHBondContact O-N 3.21Å; N77-G79 PolarHBondContact O-N 3.48Å; N77-V80 PolarHBondContact O-N 3.38Å; N77-V81 WeakPolarHBondContact O-CG1 3.27Å; N77-V81 WeakPolarHBondContact O-CG2 3.35Å; N77-V81 PolarHBondContact O-N 3.32Å
78Y93Very high89.9Confident10 Ų1072 Ų724%0.03939%0.389CS..Hα-helixtrans-57-50.1174.8-173.8-88.9000111F12 T16 C74 R75 H76 V80 V81 E82 R88F12-Y78 AromaticContact CD1-CD2 3.63Å; F12-Y78 HydrophobicContact CD1-CD2 3.63Å; F12-Y78 HydrophobicContact CD1-CE2 4.21Å; F12-Y78 HydrophobicContact CD1-CG 4.07Å; F12-Y78 HydrophobicContact CD2-CD2 4.21Å; F12-Y78 AromaticContact CE1-CD2 3.6Å; F12-Y78 HydrophobicContact CE1-CD2 3.6Å; F12-Y78 AromaticContact CE1-CG 3.73Å; F12-Y78 HydrophobicContact CE1-CG 3.73Å; F12-Y78 HydrophobicContact CE2-CD2 4.14Å; F12-Y78 AromaticContact CG-CD2 3.96Å; F12-Y78 HydrophobicContact CG-CD2 3.96Å; F12-Y78 HydrophobicContact CG-CE2 4.3Å; F12-Y78 AromaticContact CZ-CD2 3.85Å; F12-Y78 HydrophobicContact CZ-CD2 3.85Å; F12-Y78 HydrophobicContact CZ-CG 4.15Å; T16-Y78 HydrophobicContact CG2-CD1 3.29Å; T16-Y78 HydrophobicContact CG2-CE1 3.61Å; T16-Y78 HydrophobicContact CG2-CG 3.86Å; C74-Y78 WeakPolarHBondContact O-CB 3.4Å; C74-Y78 PolarHBondContact O-N 3.17Å; R75-Y78 PolarHBondContact O-N 2.92Å; H76-Y78 VanDerWaalsContact C-N 3.33Å; H76-Y78 PolarHBondContact O-N 2.86Å; Y78-V80 PolarHBondContact O-N 3.28Å; Y78-V81 PolarHBondContact O-N 2.97Å; Y78-V81 VanDerWaalsContact O-N 3.12Å; Y78-E82 HydrophobicContact CD1-CB 4.15Å; Y78-E82 HydrophobicContact CE1-CB 3.95Å; Y78-E82 HydrophobicContact CE1-CG 3.89Å; Y78-E82 WeakPolarHBondContact CE1-OE1 3.27Å; Y78-E82 VanDerWaalsContact CE1-OE2 3.3Å; Y78-E82 WeakPolarHBondContact CE1-OE2 3.35Å; Y78-E82 WeakPolarHBondContact O-CA 3.5Å; Y78-E82 WeakPolarHBondContact O-CB 3.42Å; Y78-E82 PolarHBondContact O-N 2.91Å; Y78-E82 PolarHBondContact OH-OE1 3.23Å; Y78-R88 HydrophobicContact CE2-CB 4.4Å
79G92.1Very high88Confident51 Ų5181.7 Ų81.753%0.52642%0.417SS..Hα-helixtrans-61-30.817800000114.1R75 H76 N77R75-G79 PolarHBondContact O-N 3.43Å; H76-G79 PolarHBondContact O-N 2.9Å; N77-G79 PolarHBondContact O-N 3.48Å
80V92.1Very high87.5Confident82 Ų8285.4 Ų85.450%0.49743%0.434SS..Hα-helixtrans-70.6-42.7174.8175.10000111.5H76 N77 Y78H76-V80 WeakPolarHBondContact O-CG2 3.47Å; H76-V80 PolarHBondContact O-N 2.74Å; N77-V80 PolarHBondContact O-N 3.38Å; Y78-V80 PolarHBondContact O-N 3.28Å
81V89.3Confident86.9Confident52 Ų5289 Ų8932%0.31545%0.452SS..Hα-helixtrans-95.9-17.1-171.2-52.70000114.9N77 Y78 S83 F84 T85N77-V81 WeakPolarHBondContact O-CG1 3.27Å; N77-V81 WeakPolarHBondContact O-CG2 3.35Å; N77-V81 PolarHBondContact O-N 3.32Å; Y78-V81 PolarHBondContact O-N 2.97Å; Y78-V81 VanDerWaalsContact O-N 3.12Å; V81-S83 PolarHBondContact O-N 3.17Å; V81-F84 HydrophobicContact CB-CE1 4.16Å; V81-F84 HydrophobicContact CB-CE2 4.09Å; V81-F84 HydrophobicContact CB-CZ 3.64Å; V81-F84 HydrophobicContact CG1-CE1 4.45Å; V81-F84 HydrophobicContact CG1-CE2 4.48Å; V81-F84 HydrophobicContact CG1-CZ 3.77Å; V81-F84 PolarHBondContact O-N 3Å; V81-T85 HydrophobicContact CB-CG2 4.34Å; V81-T85 HydrophobicContact CG2-CG2 4.46Å; V81-T85 WeakPolarHBondContact O-CG2 3.33Å; V81-T85 PolarHBondContact O-N 3.22Å; V81-T85 PolarHBondContact O-OG1 2.72Å
82E85.8Confident86.3Confident57 Ų5788.8 Ų88.827%0.26645%0.449SS..G310 helixtrans-59.3-33.1-175.2175.2171.7-137.900112.4Y78 F84 T85 Q87Y78-E82 HydrophobicContact CD1-CB 4.15Å; Y78-E82 HydrophobicContact CE1-CB 3.95Å; Y78-E82 HydrophobicContact CE1-CG 3.89Å; Y78-E82 WeakPolarHBondContact CE1-OE1 3.27Å; Y78-E82 VanDerWaalsContact CE1-OE2 3.3Å; Y78-E82 WeakPolarHBondContact CE1-OE2 3.35Å; Y78-E82 WeakPolarHBondContact O-CA 3.5Å; Y78-E82 WeakPolarHBondContact O-CB 3.42Å; Y78-E82 PolarHBondContact O-N 2.91Å; Y78-E82 PolarHBondContact OH-OE1 3.23Å; E82-F84 PolarHBondContact O-N 3.43Å; E82-F84 VanDerWaalsContact O-N 3.11Å; E82-T85 WeakPolarHBondContact CA-OG1 3.48Å; E82-T85 PolarHBondContact O-N 3.31Å; E82-Q87 PolarHBondContact OE1-NE2 3.04Å; E82-Q87 VanDerWaalsContact OE1-NE2 3.16Å; E82-Q87 PolarHBondContact OE1-OE1 3.33Å
83S84.7Confident85.7Confident105 Ų10588.5 Ų88.573%0.73444%0.442SS*.G310 helixtrans-60.5-22.1-17960.90000114.6V81V81-S83 PolarHBondContact O-N 3.17Å
84F82.9Confident84.9Confident151 Ų15188.3 Ų88.366%0.66245%0.447SS*.G310 helixtrans-1298.5-177.559.7-97.6000113.8V81 E82V81-F84 HydrophobicContact CB-CE1 4.16Å; V81-F84 HydrophobicContact CB-CE2 4.09Å; V81-F84 HydrophobicContact CB-CZ 3.64Å; V81-F84 HydrophobicContact CG1-CE1 4.45Å; V81-F84 HydrophobicContact CG1-CE2 4.48Å; V81-F84 HydrophobicContact CG1-CZ 3.77Å; V81-F84 PolarHBondContact O-N 3Å; E82-F84 PolarHBondContact O-N 3.43Å; E82-F84 VanDerWaalsContact O-N 3.11Å
85T79.7Confident84.1Confident55 Ų5594.2 Ų94.234%0.33748%0.477SS..SBendtrans-113.1159.6177.953.10000111.3V81 E82 Q87V81-T85 HydrophobicContact CB-CG2 4.34Å; V81-T85 HydrophobicContact CG2-CG2 4.46Å; V81-T85 WeakPolarHBondContact O-CG2 3.33Å; V81-T85 PolarHBondContact O-N 3.22Å; V81-T85 PolarHBondContact O-OG1 2.72Å; E82-T85 WeakPolarHBondContact CA-OG1 3.48Å; E82-T85 PolarHBondContact O-N 3.31Å; T85-Q87 PolarHBondContact O-N 3.03Å
86V76.8Confident83.2Confident130 Ų13095.4 Ų95.479%0.78849%0.49SS*.  trans-62.9125.8173.4178.60000108.7R88V86-R88 PolarHBondContact O-N 2.99Å
87Q70.8Confident82.3Confident91 Ų9193.8 Ų93.843%0.42549%0.486SS..  trans-55.7119.8177.2-70.8-75.3-40.900110.6E82 T85 R89E82-Q87 PolarHBondContact OE1-NE2 3.04Å; E82-Q87 VanDerWaalsContact OE1-NE2 3.16Å; E82-Q87 PolarHBondContact OE1-OE1 3.33Å; T85-Q87 PolarHBondContact O-N 3.03Å; Q87-R89 PolarHBondContact O-N 3.49Å; Q87-R89 VanDerWaalsContact O-N 3.16Å
88R67.6Low81.3Confident133 Ų13396.8 Ų96.850%0.50250%0.501SS..  trans-86.184.5179.5-63.3-177.7-177.1166.3-1.4108.5F12 G15 Y78 V86F12-R88 VanDerWaalsContact CD2-NH1 3.26Å; G15-R88 VanDerWaalsContact CA-O 3.27Å; G15-R88 WeakPolarHBondContact CA-O 3.49Å; G15-R88 PolarHBondContact N-O 3.41Å; Y78-R88 HydrophobicContact CE2-CB 4.4Å; V86-R88 PolarHBondContact O-N 2.99Å
89R60.4Low80.2Confident245 Ų245104.7 Ų104.793%0.92554%0.543SS*.  trans-86.60173.4-61.5-177.3-175.9-177.31.2110N14 Q87N14-R89 VanDerWaalsContact CA-OXT 3.26Å; N14-R89 WeakPolarHBondContact CA-OXT 3.21Å; N14-R89 PolarHBondContact N-OXT 3.41Å; N14-R89 PolarHBondContact OD1-OXT 2.71Å; Q87-R89 PolarHBondContact O-N 3.49Å; Q87-R89 VanDerWaalsContact O-N 3.16Å

Retrieved 89 of 89 residues in 49.4 ms (Link to these results)

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