A0A090KEY2_HUMAN Loading...

HLA class II antigen

AlphaFold DB (F8LFW4), UniProt , Accession A0A090KEY2, Species HUMAN (Homo sapiens, Human), Gene HLA-DQB1, Length 183 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1D82.6Confident95.9Very high210 Ų21098.9 Ų98.9100%1.12350%0.498SS*.  0143.70-55.9-19.5000111.3
2F93.3Very high96Very high145 Ų14596.8 Ų96.864%0.63648%0.484SS*.  trans-128.6149.5173.665.4-90.9000110.1Y27 N28F2-Y27 HydrophobicContact CB-CE1 4.13Å; F2-Y27 HydrophobicContact CB-CE2 4.34Å; F2-Y27 WeakPolarHBondContact CB-OH 3.39Å; F2-Y27 AromaticContact CD2-CE2 3.89Å; F2-Y27 HydrophobicContact CD2-CE2 3.89Å; F2-Y27 AromaticContact CD2-CZ 3.94Å; F2-Y27 WeakPolarHBondContact CD2-OH 3.29Å; F2-Y27 HydrophobicContact CG-CE2 4.43Å; F2-Y27 VanDerWaalsContact CG-OH 3.25Å; F2-Y27 WeakPolarHBondContact CG-OH 3.45Å; F2-N28 WeakPolarHBondContact CA-OD1 3.37Å
3V97.8Very high96Very high78 Ų7896 Ų9647%0.47349%0.487SS..  trans-126134.8179.3-179.20000109.2Q5 Y27 N28V3-Q5 HydrophobicContact CG1-CG 3.96Å; V3-Y27 CarbonylContact O-C 3.56Å; V3-N28 PolarHBondContact N-OD1 2.92Å; V3-N28 WeakPolarHBondContact O-CA 3.34Å; V3-N28 PolarHBondContact O-N 2.93Å
4Y97.4Very high95.8Very high111 Ų11198.1 Ų98.144%0.43550%0.5SS..EExtended strand (participates in β ladder)trans-115134.6169179.9-96.2000109.7F6 H25 I26 Y27 Y32Y4-F6 HydrophobicContact CE1-CB 4.44Å; Y4-H25 HydrophobicContact CE2-CB 4.5Å; Y4-H25 AromaticContact CZ-ND1 3.98Å; Y4-H25 PolarHBondContact OH-ND1 2.92Å; Y4-I26 WeakPolarHBondContact CA-O 3.19Å; Y4-Y27 HydrophobicContact CD2-CD2 4.27Å; Y4-Y32 AromaticContact CE2-CE1 3.85Å; Y4-Y32 HydrophobicContact CE2-CE1 3.85Å
5Q98.4Very high95.5Very high70 Ų7093.5 Ų93.533%0.32749%0.487SS..EExtended strand (participates in β ladder)trans-128.4140178.2-51.1170.367.400110.2V3 I26 N28V3-Q5 HydrophobicContact CG1-CG 3.96Å; Q5-I26 HydrophobicContact CB-CB 4.18Å; Q5-I26 PolarHBondContact N-O 2.98Å; Q5-I26 PolarHBondContact O-N 3.5Å; Q5-N28 PolarHBondContact NE2-O 3.28Å
6F97.6Very high95.4Very high122 Ų12290.8 Ų90.854%0.53548%0.476SS..EExtended strand (participates in β ladder)trans-117.5131169.6176-89000108.5Y4 T23 R24 H25Y4-F6 HydrophobicContact CE1-CB 4.44Å; F6-T23 HydrophobicContact CD2-CG2 3.92Å; F6-T23 HydrophobicContact CE1-CG2 4.33Å; F6-T23 HydrophobicContact CE2-CG2 3.07Å; F6-T23 HydrophobicContact CZ-CG2 3.33Å; F6-R24 WeakPolarHBondContact CA-O 3.41Å; F6-H25 AromaticContact CD2-CE1 3.64Å; F6-H25 AromaticContact CD2-ND1 3.94Å; F6-H25 AromaticContact CD2-NE2 3.95Å; F6-H25 AromaticContact CE2-CE1 3.71Å; F6-H25 AromaticContact CE2-NE2 3.76Å
7K98.1Very high95.3Very high88 Ų8893.9 Ų93.938%0.38349%0.487SS..EExtended strand (participates in β ladder)trans-125.6113.6176-60-170.9177-171.90109.9L9 T23 R24 I26K7-L9 HydrophobicContact CB-CD1 4.5Å; K7-L9 HydrophobicContact CB-CD2 4.5Å; K7-L9 HydrophobicContact CB-CG 4.26Å; K7-T23 CarbonylContact O-C 3.55Å; K7-T23 WeakPolarHBondContact O-CA 3.42Å; K7-R24 HydrophobicContact CB-CB 4.32Å; K7-R24 PolarHBondContact N-O 3.32Å; K7-R24 PolarHBondContact O-N 3.2Å; K7-I26 HydrophobicContact CD-CD1 4.05Å; K7-I26 HydrophobicContact CG-CD1 4.32Å
8G97.3Very high95.4Very high55 Ų5596.8 Ų96.857%0.56749%0.491SS*.EExtended strand (participates in β ladder)trans-91.7109.416600000109.5
9L98Very high95.5Very high48 Ų4892.3 Ų92.325%0.25147%0.469SS..EExtended strand (participates in β ladder)trans-110.6136.5-175-59.4165.9000109.1K7 Y11 G21 V22 R24K7-L9 HydrophobicContact CB-CD1 4.5Å; K7-L9 HydrophobicContact CB-CD2 4.5Å; K7-L9 HydrophobicContact CB-CG 4.26Å; L9-Y11 HydrophobicContact CB-CE2 3.77Å; L9-Y11 HydrophobicContact CD1-CE2 4.44Å; L9-G21 CarbonylContact O-C 3.6Å; L9-G21 WeakPolarHBondContact O-CA 3.48Å; L9-V22 HydrophobicContact CB-CB 4.31Å; L9-V22 WeakPolarHBondContact CB-O 3.35Å; L9-V22 PolarHBondContact N-O 3.35Å; L9-V22 PolarHBondContact O-N 3.45Å; L9-R24 HydrophobicContact CD1-CG 4.14Å
10C97.8Very high95.6Very high42 Ų4292.2 Ų92.228%0.28446%0.462SS..EExtended strand (participates in β ladder)trans-125.7118.4175.7-61.60000108.3F12 C74C10-F12 HydrophobicContact CB-CD2 4.41Å; C10-F12 HydrophobicContact CB-CE2 3.46Å; C10-F12 VanDerWaalsContact CB-CE2 3.46Å; C10-F12 HydrophobicContact CB-CZ 3.52Å; C10-F12 WeakPolarHBondContact O-CE2 3.47Å; C10-C74 HydrophobicContact CB-CB 3.53Å; C10-C74 WeakPolarHBondContact CB-SG 3.43Å; C10-C74 WeakPolarHBondContact SG-CA 3.43Å; C10-C74 WeakPolarHBondContact SG-CB 3.13Å; C10-C74 CovalentContact SG-SG 2.03Å; C10-C74 PolarHBondContact SG-SG 3.15Å
11Y97.2Very high95.7Very high119 Ų11987.8 Ų87.847%0.46744%0.441SS..EExtended strand (participates in β ladder)trans-104.6125.2177.7-60.2-86.7000109L9 V19 R20 V22L9-Y11 HydrophobicContact CB-CE2 3.77Å; L9-Y11 HydrophobicContact CD1-CE2 4.44Å; Y11-V19 WeakPolarHBondContact O-CA 3.48Å; Y11-R20 PolarHBondContact N-O 3.12Å; Y11-R20 PolarHBondContact O-N 3.17Å; Y11-V22 HydrophobicContact CD2-CG2 4.2Å; Y11-V22 HydrophobicContact CE2-CB 4.25Å; Y11-V22 HydrophobicContact CE2-CG2 3.94Å
12F96.1Very high96.5Very high74 Ų7478.2 Ų78.233%0.32539%0.39SS..EExtended strand (participates in β ladder)trans-112.9133.4-175.1-60.1-83.6000109.3C10 G15 V19 C74 Y78C10-F12 HydrophobicContact CB-CD2 4.41Å; C10-F12 HydrophobicContact CB-CE2 3.46Å; C10-F12 VanDerWaalsContact CB-CE2 3.46Å; C10-F12 HydrophobicContact CB-CZ 3.52Å; C10-F12 WeakPolarHBondContact O-CE2 3.47Å; F12-G15 WeakPolarHBondContact CB-O 3.4Å; F12-V19 HydrophobicContact CD1-CG1 4.05Å; F12-V19 HydrophobicContact CD1-CG2 3.87Å; F12-V19 HydrophobicContact CE1-CG1 3.8Å; F12-V19 HydrophobicContact CE1-CG2 4.14Å; F12-C74 HydrophobicContact CE1-CB 4.2Å; F12-C74 HydrophobicContact CZ-CB 4.01Å; F12-C74 WeakPolarHBondContact CZ-O 3.49Å; F12-Y78 HydrophobicContact CB-CD2 4.36Å; F12-Y78 HydrophobicContact CB-CE2 4.17Å; F12-Y78 AromaticContact CD1-CD2 3.36Å; F12-Y78 HydrophobicContact CD1-CD2 3.36Å; F12-Y78 AromaticContact CD1-CE2 3.94Å; F12-Y78 HydrophobicContact CD1-CE2 3.94Å; F12-Y78 HydrophobicContact CD1-CG 4.07Å; 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 3.49Å; F12-Y78 HydrophobicContact CE1-CD2 3.49Å; F12-Y78 VanDerWaalsContact CE1-CD2 3.49Å; F12-Y78 HydrophobicContact CE1-CE2 4.49Å; F12-Y78 AromaticContact CE1-CG 3.86Å; F12-Y78 HydrophobicContact CE1-CG 3.86Å; F12-Y78 HydrophobicContact CE2-CD2 4.08Å; F12-Y78 AromaticContact CG-CD2 3.63Å; F12-Y78 HydrophobicContact CG-CD2 3.63Å; F12-Y78 AromaticContact CG-CE2 3.94Å; F12-Y78 HydrophobicContact CG-CE2 3.94Å; F12-Y78 AromaticContact CZ-CD2 3.85Å; F12-Y78 HydrophobicContact CZ-CD2 3.85Å; F12-Y78 HydrophobicContact CZ-CG 4.3Å
13T95.9Very high96.7Very high86 Ų8672.1 Ų72.153%0.52836%0.364SS..EExtended strand (participates in β ladder)trans-133.7131.7175.2-54.50000108.8R18T13-R18 PolarHBondContact N-O 3.04Å; T13-R18 PolarHBondContact O-N 3.39Å
14N93.6Very high96.7Very high125 Ų12572.1 Ų72.167%0.66836%0.356SS*.THydrogen-bonded Turntrans50.258.6-171.8-158.925000112.3T16 E17N14-T16 PolarHBondContact O-N 3Å; N14-E17 HydrophobicContact CB-CB 4.26Å; N14-E17 PolarHBondContact ND2-OE2 3.18Å; N14-E17 WeakPolarHBondContact O-CB 3.37Å; N14-E17 PolarHBondContact O-N 2.78Å
15G91.1Very high96.8Very high30 Ų3067.4 Ų67.431%0.30934%0.338SS..THydrogen-bonded Turntrans67-121.3-172.100000111.3F12 Y78F12-G15 WeakPolarHBondContact CB-O 3.4Å; G15-Y78 WeakPolarHBondContact CA-OH 3.12Å
16T94.9Very high96.8Very high49 Ų4964.5 Ų64.530%0.30133%0.325SS..THydrogen-bonded Turntrans-1018.8177.557.90000112.7N14 R18 R75 Y78N14-T16 PolarHBondContact O-N 3Å; T16-R18 PolarHBondContact O-N 2.88Å; T16-R75 PolarHBondContact O-NH1 2.86Å; T16-Y78 HydrophobicContact CG2-CD1 3.33Å; T16-Y78 HydrophobicContact CG2-CD2 4.27Å; T16-Y78 HydrophobicContact CG2-CE1 3.63Å; T16-Y78 HydrophobicContact CG2-CE2 4.48Å; T16-Y78 HydrophobicContact CG2-CG 3.7Å
17E93.6Very high96.8Very high144 Ų14463.9 Ų63.967%0.67332%0.319SS*.THydrogen-bonded Turntrans-57.8-52.8-179.3-172-176.716500111.7N14N14-E17 HydrophobicContact CB-CB 4.26Å; N14-E17 PolarHBondContact ND2-OE2 3.18Å; N14-E17 WeakPolarHBondContact O-CB 3.37Å; N14-E17 PolarHBondContact O-N 2.78Å
18R96.3Very high96.7Very high146 Ų14663 Ų6355%0.55132%0.319SS*.EExtended strand (participates in β ladder)trans-113.7122.9171.2-175.9178.2-178.3131.82.8110.2T13 T16 D38T13-R18 PolarHBondContact N-O 3.04Å; T13-R18 PolarHBondContact O-N 3.39Å; T16-R18 PolarHBondContact O-N 2.88Å; R18-D38 IonicContact NH2-OD1 3.16Å; R18-D38 IonicContact NH2-OD2 2.74Å; R18-D38 PolarHBondContact NH2-OD2 3.17Å
19V97.8Very high96.6Very high12 Ų1272 Ų727%0.07334%0.336CS..EExtended strand (participates in β ladder)trans-126.5123.6176.9-173.20000109.2Y11 F12 V70 C74 R75Y11-V19 WeakPolarHBondContact O-CA 3.48Å; F12-V19 HydrophobicContact CD1-CG1 4.05Å; F12-V19 HydrophobicContact CD1-CG2 3.87Å; F12-V19 HydrophobicContact CE1-CG1 3.8Å; F12-V19 HydrophobicContact CE1-CG2 4.14Å; V19-V70 HydrophobicContact CB-CG1 3.92Å; V19-V70 HydrophobicContact CG1-CG1 3.89Å; V19-C74 HydrophobicContact CG1-CB 3.56Å; V19-R75 HydrophobicContact CG2-CG 4.14Å
20R97.7Very high96.6Very high89 Ų8974.7 Ų74.734%0.33635%0.347SS..EExtended strand (participates in β ladder)trans-114.5114.4174.6-179.5-176.6171.1-160.52.1109.5Y11 V22 D36 S37 D38Y11-R20 PolarHBondContact N-O 3.12Å; Y11-R20 PolarHBondContact O-N 3.17Å; R20-V22 HydrophobicContact CG-CG2 4.08Å; R20-D36 IonicContact CZ-OD1 2.67Å; R20-D36 IonicContact CZ-OD2 3.77Å; R20-D36 IonicContact NE-OD1 2.93Å; R20-D36 PolarHBondContact NE-OD1 3.09Å; R20-D36 IonicContact NE-OD2 3.36Å; R20-D36 PolarHBondContact NE-OD2 2.83Å; R20-D36 IonicContact NH2-OD1 3.39Å; R20-D36 IonicContact NH2-OD2 3.77Å; R20-D36 PolarHBondContact NH2-OD2 2.86Å; R20-S37 WeakPolarHBondContact CA-OG 3.49Å; R20-D38 IonicContact NE-OD2 3.92Å
21G97.9Very high96.7Very high1 Ų173.4 Ų73.41%0.0134%0.337CS..EExtended strand (participates in β ladder)trans-86.1132.8169.500000111.1L9 S37L9-G21 CarbonylContact O-C 3.6Å; L9-G21 WeakPolarHBondContact O-CA 3.48Å; G21-S37 PolarHBondContact N-OG 2.85Å; G21-S37 WeakPolarHBondContact O-CB 3.34Å; G21-S37 PolarHBondContact O-N 2.97Å; G21-S37 PolarHBondContact O-OG 2.81Å
22V98.2Very high96.7Very high9 Ų969.6 Ų69.66%0.05532%0.322CS..EExtended strand (participates in β ladder)trans-134.4125174.7-177.50000109.2L9 Y11 R20 R24 F35L9-V22 HydrophobicContact CB-CB 4.31Å; L9-V22 WeakPolarHBondContact CB-O 3.35Å; L9-V22 PolarHBondContact N-O 3.35Å; L9-V22 PolarHBondContact O-N 3.45Å; Y11-V22 HydrophobicContact CD2-CG2 4.2Å; Y11-V22 HydrophobicContact CE2-CB 4.25Å; Y11-V22 HydrophobicContact CE2-CG2 3.94Å; R20-V22 HydrophobicContact CG-CG2 4.08Å; V22-R24 HydrophobicContact CG1-CG 4Å; V22-F35 CarbonylContact C-O 3.56Å; V22-F35 VanDerWaalsContact CA-O 3.32Å; V22-F35 WeakPolarHBondContact CA-O 3.27Å
23T98.1Very high96.9Very high17 Ų1766 Ų6610%0.10431%0.306CS..EExtended strand (participates in β ladder)trans-107.9126.5172.9-64.30000109.3F6 K7 R34 F35F6-T23 HydrophobicContact CD2-CG2 3.92Å; F6-T23 HydrophobicContact CE1-CG2 4.33Å; F6-T23 HydrophobicContact CE2-CG2 3.07Å; F6-T23 HydrophobicContact CZ-CG2 3.33Å; K7-T23 CarbonylContact O-C 3.55Å; K7-T23 WeakPolarHBondContact O-CA 3.42Å; T23-R34 CarbonylContact O-C 3.57Å; T23-R34 WeakPolarHBondContact O-CA 3Å; T23-R34 WeakPolarHBondContact O-CB 3.04Å; T23-F35 PolarHBondContact N-O 2.76Å; T23-F35 PolarHBondContact O-N 2.93Å
24R98.4Very high97Very high77 Ų7765.8 Ų65.829%0.29130%0.296SS..EExtended strand (participates in β ladder)trans-117131.6179.9-53.7176.266.8-169.5-3.3110.1F6 K7 L9 V22 I26 E31F6-R24 WeakPolarHBondContact CA-O 3.41Å; K7-R24 HydrophobicContact CB-CB 4.32Å; K7-R24 PolarHBondContact N-O 3.32Å; K7-R24 PolarHBondContact O-N 3.2Å; L9-R24 HydrophobicContact CD1-CG 4.14Å; V22-R24 HydrophobicContact CG1-CG 4Å; R24-I26 HydrophobicContact CB-CD1 4.36Å; R24-I26 HydrophobicContact CB-CG1 4.42Å; R24-E31 HydrophobicContact CB-CG 4.34Å; R24-E31 VanDerWaalsContact CG-OE1 3.31Å; R24-E31 WeakPolarHBondContact CG-OE1 3.13Å; R24-E31 IonicContact CZ-OE2 3.16Å; R24-E31 IonicContact NE-OE1 3.93Å; R24-E31 PolarHBondContact NE-OE1 3.02Å; R24-E31 VanDerWaalsContact NE-OE1 3.16Å; R24-E31 IonicContact NE-OE2 3.01Å; R24-E31 PolarHBondContact NE-OE2 3.29Å; R24-E31 IonicContact NH2-OE2 3.77Å; R24-E31 PolarHBondContact NH2-OE2 2.93Å
25H98.4Very high97.2Very high13 Ų1359.9 Ų59.96%0.0626%0.264CS..EExtended strand (participates in β ladder)trans-111.3124.4172.5-59.8-112.1000108.8Y4 F6 E31 Y32 V33 W56Y4-H25 HydrophobicContact CE2-CB 4.5Å; Y4-H25 AromaticContact CZ-ND1 3.98Å; Y4-H25 PolarHBondContact OH-ND1 2.92Å; F6-H25 AromaticContact CD2-CE1 3.64Å; F6-H25 AromaticContact CD2-ND1 3.94Å; F6-H25 AromaticContact CD2-NE2 3.95Å; F6-H25 AromaticContact CE2-CE1 3.71Å; F6-H25 AromaticContact CE2-NE2 3.76Å; H25-E31 WeakPolarHBondContact O-CA 3.45Å; H25-Y32 HydrophobicContact CB-CD1 4.24Å; H25-Y32 HydrophobicContact CB-CE1 3.49Å; H25-Y32 VanDerWaalsContact CB-CE1 3.49Å; H25-Y32 WeakPolarHBondContact O-CD1 3.38Å; H25-Y32 PolarHBondContact O-N 3.29Å; H25-V33 HydrophobicContact CB-CG1 3.57Å; H25-V33 PolarHBondContact N-O 2.86Å; H25-W56 AromaticContact CD2-CZ3 3.88Å; H25-W56 AromaticContact CE1-CH2 3.48Å; H25-W56 VanDerWaalsContact CE1-CH2 3.48Å; H25-W56 WeakPolarHBondContact CE1-CH2 3.24Å; H25-W56 AromaticContact CE1-CZ3 3.8Å; H25-W56 AromaticContact CG-CH2 3.92Å; H25-W56 AromaticContact ND1-CH2 3.5Å; H25-W56 AromaticContact NE2-CH2 3.89Å; H25-W56 AromaticContact NE2-CZ3 3.72Å
26I98.6Very high97.6Very high9 Ų959.1 Ų59.15%0.04625%0.253CS..EExtended strand (participates in β ladder)trans-130.7127.3-167.9-56.9161.9000108.5Y4 Q5 K7 R24 E30 E31Y4-I26 WeakPolarHBondContact CA-O 3.19Å; Q5-I26 HydrophobicContact CB-CB 4.18Å; Q5-I26 PolarHBondContact N-O 2.98Å; Q5-I26 PolarHBondContact O-N 3.5Å; K7-I26 HydrophobicContact CD-CD1 4.05Å; K7-I26 HydrophobicContact CG-CD1 4.32Å; R24-I26 HydrophobicContact CB-CD1 4.36Å; R24-I26 HydrophobicContact CB-CG1 4.42Å; I26-E30 WeakPolarHBondContact CA-O 3.25Å; I26-E31 HydrophobicContact CG1-CB 3.94Å; I26-E31 HydrophobicContact CG1-CG 4.18Å
27Y97.7Very high97.7Very high108 Ų10858.2 Ų58.242%0.42425%0.248SC..EExtended strand (participates in β ladder)trans-107.4127.3170-163.1-96.7000108.7F2 V3 Y4 R29 E30F2-Y27 HydrophobicContact CB-CE1 4.13Å; F2-Y27 HydrophobicContact CB-CE2 4.34Å; F2-Y27 WeakPolarHBondContact CB-OH 3.39Å; F2-Y27 AromaticContact CD2-CE2 3.89Å; F2-Y27 HydrophobicContact CD2-CE2 3.89Å; F2-Y27 AromaticContact CD2-CZ 3.94Å; F2-Y27 WeakPolarHBondContact CD2-OH 3.29Å; F2-Y27 HydrophobicContact CG-CE2 4.43Å; F2-Y27 VanDerWaalsContact CG-OH 3.25Å; F2-Y27 WeakPolarHBondContact CG-OH 3.45Å; V3-Y27 CarbonylContact O-C 3.56Å; Y4-Y27 HydrophobicContact CD2-CD2 4.27Å; Y27-R29 PolarHBondContact O-N 2.81Å; Y27-E30 PolarHBondContact N-O 3.47Å; Y27-E30 PolarHBondContact O-N 2.81Å
28N96.3Very high97.9Very high71 Ų7155.5 Ų55.538%0.3824%0.239SC..THydrogen-bonded Turntrans51.2-99-164.7-60.6-36.5000111.3F2 V3 Q5F2-N28 WeakPolarHBondContact CA-OD1 3.37Å; V3-N28 PolarHBondContact N-OD1 2.92Å; V3-N28 WeakPolarHBondContact O-CA 3.34Å; V3-N28 PolarHBondContact O-N 2.93Å; Q5-N28 PolarHBondContact NE2-O 3.28Å
29R96.3Very high98Very high242 Ų24251.8 Ų51.891%0.91323%0.232SC*.THydrogen-bonded Turntrans-122.53.3176-64.4-176.6174.8-175.5-1.3112.9Y27Y27-R29 PolarHBondContact O-N 2.81Å
30E97.8Very high98Very high105 Ų10551.7 Ų51.749%0.49123%0.234SC..EExtended strand (participates in β ladder)trans-100.5113.2-177.4-171.3172.7-169.200109.7I26 Y27 Y32 T46I26-E30 WeakPolarHBondContact CA-O 3.25Å; Y27-E30 PolarHBondContact N-O 3.47Å; Y27-E30 PolarHBondContact O-N 2.81Å; E30-Y32 PolarHBondContact O-N 2.84Å; E30-T46 HydrophobicContact CG-CG2 3.86Å; E30-T46 VanDerWaalsContact OE1-CG2 3.27Å; E30-T46 WeakPolarHBondContact OE1-CG2 3.45Å
31E98.5Very high98Very high16 Ų1649.6 Ų49.68%0.07523%0.231CC..EExtended strand (participates in β ladder)trans-72.7117.9170-177.2-175.4-176.600108.9R24 H25 I26 R34 V45 T46R24-E31 HydrophobicContact CB-CG 4.34Å; R24-E31 VanDerWaalsContact CG-OE1 3.31Å; R24-E31 WeakPolarHBondContact CG-OE1 3.13Å; R24-E31 IonicContact CZ-OE2 3.16Å; R24-E31 IonicContact NE-OE1 3.93Å; R24-E31 PolarHBondContact NE-OE1 3.02Å; R24-E31 VanDerWaalsContact NE-OE1 3.16Å; R24-E31 IonicContact NE-OE2 3.01Å; R24-E31 PolarHBondContact NE-OE2 3.29Å; R24-E31 IonicContact NH2-OE2 3.77Å; R24-E31 PolarHBondContact NH2-OE2 2.93Å; H25-E31 WeakPolarHBondContact O-CA 3.45Å; I26-E31 HydrophobicContact CG1-CB 3.94Å; I26-E31 HydrophobicContact CG1-CG 4.18Å; E31-R34 WeakPolarHBondContact OE1-CB 3.49Å; E31-R34 IonicContact OE1-CZ 3.69Å; E31-R34 VanDerWaalsContact OE1-CZ 3.29Å; E31-R34 IonicContact OE1-NE 3.87Å; E31-R34 PolarHBondContact OE1-NE 3.14Å; E31-R34 IonicContact OE1-NH2 2.73Å; E31-R34 PolarHBondContact OE1-NH2 2.98Å; E31-R34 VanDerWaalsContact OE1-NH2 3.1Å; E31-R34 IonicContact OE2-CZ 2.64Å; E31-R34 IonicContact OE2-NE 3.1Å; E31-R34 IonicContact OE2-NH2 3.29Å; E31-R34 PolarHBondContact OE2-NH2 3.27Å; E31-V45 HydrophobicContact CG-CB 4.43Å; E31-V45 HydrophobicContact CG-CG2 4.05Å; E31-V45 WeakPolarHBondContact O-CB 3.4Å; E31-V45 WeakPolarHBondContact O-CG1 3.44Å; E31-T46 WeakPolarHBondContact O-CG2 3.4Å
32Y98.4Very high98Very high38 Ų3850.7 Ų50.715%0.14924%0.235CC..EExtended strand (participates in β ladder)trans-103.4-28.3-173.871.4-80.1000112.5Y4 H25 E30 V45 T46 G49Y4-Y32 AromaticContact CE2-CE1 3.85Å; Y4-Y32 HydrophobicContact CE2-CE1 3.85Å; H25-Y32 HydrophobicContact CB-CD1 4.24Å; H25-Y32 HydrophobicContact CB-CE1 3.49Å; H25-Y32 VanDerWaalsContact CB-CE1 3.49Å; H25-Y32 WeakPolarHBondContact O-CD1 3.38Å; H25-Y32 PolarHBondContact O-N 3.29Å; E30-Y32 PolarHBondContact O-N 2.84Å; Y32-V45 PolarHBondContact O-N 2.83Å; Y32-T46 WeakPolarHBondContact CA-OG1 3.37Å; Y32-T46 WeakPolarHBondContact CB-OG1 3.44Å; Y32-T46 PolarHBondContact O-N 3.2Å; Y32-G49 WeakPolarHBondContact O-CA 3.5Å
33V98.7Very high98Very high0 Ų057.9 Ų57.90%026%0.261CS..EExtended strand (participates in β ladder)trans-148.6145.6178.263.30000110.8H25 Y42 R43 A53 W56H25-V33 HydrophobicContact CB-CG1 3.57Å; H25-V33 PolarHBondContact N-O 2.86Å; V33-Y42 HydrophobicContact CG2-CD1 4.29Å; V33-R43 WeakPolarHBondContact CA-O 3.2Å; V33-A53 HydrophobicContact CG2-CB 4Å; V33-W56 HydrophobicContact CB-CZ3 4.27Å; V33-W56 HydrophobicContact CG1-CE3 4.4Å; V33-W56 HydrophobicContact CG1-CH2 3.78Å; V33-W56 HydrophobicContact CG1-CZ3 3.37Å; V33-W56 HydrophobicContact CG2-CE3 4.15Å; V33-W56 HydrophobicContact CG2-CZ3 3.86Å
34R98.6Very high98.1Very high81 Ų8158.9 Ų58.931%0.30627%0.271SS..EExtended strand (participates in β ladder)trans-139.1152.6175.367.5173.159.9161.64.9112.7T23 E31 Y42 R43 V45T23-R34 CarbonylContact O-C 3.57Å; T23-R34 WeakPolarHBondContact O-CA 3Å; T23-R34 WeakPolarHBondContact O-CB 3.04Å; E31-R34 WeakPolarHBondContact OE1-CB 3.49Å; E31-R34 IonicContact OE1-CZ 3.69Å; E31-R34 VanDerWaalsContact OE1-CZ 3.29Å; E31-R34 IonicContact OE1-NE 3.87Å; E31-R34 PolarHBondContact OE1-NE 3.14Å; E31-R34 IonicContact OE1-NH2 2.73Å; E31-R34 PolarHBondContact OE1-NH2 2.98Å; E31-R34 VanDerWaalsContact OE1-NH2 3.1Å; E31-R34 IonicContact OE2-CZ 2.64Å; E31-R34 IonicContact OE2-NE 3.1Å; E31-R34 IonicContact OE2-NH2 3.29Å; E31-R34 PolarHBondContact OE2-NH2 3.27Å; R34-Y42 CarbonylContact O-C 3.59Å; R34-Y42 VanDerWaalsContact O-CA 3.28Å; R34-Y42 WeakPolarHBondContact O-CA 3.31Å; R34-R43 PolarHBondContact N-O 2.97Å; R34-R43 PolarHBondContact O-N 2.85Å; R34-V45 HydrophobicContact CB-CG2 4.22Å; R34-V45 HydrophobicContact CG-CG2 3.76Å
35F98.6Very high98.1Very high0 Ų058.2 Ų58.20%028%0.275CS..EExtended strand (participates in β ladder)trans-106.1136.6159.1176.8-91.6000108.8V22 T23 G40 Y42 L63 A66 R67V22-F35 CarbonylContact C-O 3.56Å; V22-F35 VanDerWaalsContact CA-O 3.32Å; V22-F35 WeakPolarHBondContact CA-O 3.27Å; T23-F35 PolarHBondContact N-O 2.76Å; T23-F35 PolarHBondContact O-N 2.93Å; F35-G40 VanDerWaalsContact CE2-C 3.46Å; F35-Y42 HydrophobicContact CB-CD1 3.7Å; F35-Y42 HydrophobicContact CB-CE1 3.6Å; F35-Y42 HydrophobicContact CB-CE2 4.43Å; F35-Y42 HydrophobicContact CB-CG 4.19Å; F35-Y42 HydrophobicContact CD2-CD2 4.12Å; F35-Y42 HydrophobicContact CD2-CE2 4.11Å; F35-Y42 HydrophobicContact CD2-CG 4.41Å; F35-L63 HydrophobicContact CD2-CD1 4.47Å; F35-L63 HydrophobicContact CE2-CD1 4.02Å; F35-A66 HydrophobicContact CD1-CB 4.06Å; F35-A66 HydrophobicContact CD2-CB 3.76Å; F35-A66 HydrophobicContact CE1-CB 4.05Å; F35-A66 WeakPolarHBondContact CE1-O 3.49Å; F35-A66 HydrophobicContact CE2-CB 3.74Å; F35-A66 HydrophobicContact CG-CB 3.93Å; F35-A66 HydrophobicContact CZ-CB 3.9Å; F35-R67 HydrophobicContact CE2-CG 4.16Å; F35-R67 HydrophobicContact CZ-CB 4.42Å; F35-R67 HydrophobicContact CZ-CG 3.78Å
36D98.4Very high98Very high15 Ų1558.6 Ų58.68%0.0828%0.278CS..EExtended strand (participates in β ladder)trans-128.6120.9175.2-169.1-22.9000108.3R20 D38 V39 G40R20-D36 IonicContact CZ-OD1 2.67Å; R20-D36 IonicContact CZ-OD2 3.77Å; R20-D36 IonicContact NE-OD1 2.93Å; R20-D36 PolarHBondContact NE-OD1 3.09Å; R20-D36 IonicContact NE-OD2 3.36Å; R20-D36 PolarHBondContact NE-OD2 2.83Å; R20-D36 IonicContact NH2-OD1 3.39Å; R20-D36 IonicContact NH2-OD2 3.77Å; R20-D36 PolarHBondContact NH2-OD2 2.86Å; D36-D38 PolarHBondContact O-N 2.87Å; D36-D38 PolarHBondContact OD1-N 2.85Å; D36-V39 HydrophobicContact CB-CB 4.24Å; D36-V39 HydrophobicContact CB-CG2 3.99Å; D36-V39 CarbonylContact O-C 3.54Å; D36-V39 WeakPolarHBondContact O-CA 3.1Å; D36-V39 PolarHBondContact O-N 2.87Å; D36-G40 PolarHBondContact O-N 2.87Å
37S97.9Very high98Very high29 Ų2962.3 Ų62.320%0.20330%0.303CS..THydrogen-bonded Turntrans-59.8-30.4-177.953.70000113.7R20 G21 V39 G40 V70R20-S37 WeakPolarHBondContact CA-OG 3.49Å; G21-S37 PolarHBondContact N-OG 2.85Å; G21-S37 WeakPolarHBondContact O-CB 3.34Å; G21-S37 PolarHBondContact O-N 2.97Å; G21-S37 PolarHBondContact O-OG 2.81Å; S37-V39 PolarHBondContact O-N 2.02Å; S37-G40 PolarHBondContact O-N 2.85Å; S37-V70 VanDerWaalsContact CB-CG2 3.42Å
38D97.4Very high97.9Very high88 Ų8863.1 Ų63.147%0.47131%0.311SS..THydrogen-bonded Turntrans-68.9-20.5175.6-76.81000111.7R18 R20 D36R18-D38 IonicContact NH2-OD1 3.16Å; R18-D38 IonicContact NH2-OD2 2.74Å; R18-D38 PolarHBondContact NH2-OD2 3.17Å; R20-D38 IonicContact NE-OD2 3.92Å; D36-D38 PolarHBondContact O-N 2.87Å; D36-D38 PolarHBondContact OD1-N 2.85Å
39V97.9Very high98Very high67 Ų6759.8 Ų59.841%0.40629%0.293SS..THydrogen-bonded Turntrans-99.5-33.7176.6-175.80000111.5D36 S37 V41D36-V39 HydrophobicContact CB-CB 4.24Å; D36-V39 HydrophobicContact CB-CG2 3.99Å; D36-V39 CarbonylContact O-C 3.54Å; D36-V39 WeakPolarHBondContact O-CA 3.1Å; D36-V39 PolarHBondContact O-N 2.87Å; S37-V39 PolarHBondContact O-N 2.02Å; V39-V41 VanDerWaalsContact C-N 3.34Å; V39-V41 HydrophobicContact CG1-CG2 3.91Å; V39-V41 PolarHBondContact O-N 3.14Å
40G97.6Very high98.1Very high11 Ų1155.5 Ų55.511%0.11328%0.276CS..THydrogen-bonded Turntrans76.710.9174.900000115.6F35 D36 S37 L63 R67F35-G40 VanDerWaalsContact CE2-C 3.46Å; D36-G40 PolarHBondContact O-N 2.87Å; S37-G40 PolarHBondContact O-N 2.85Å; G40-L63 WeakPolarHBondContact O-CD1 3.43Å; G40-R67 VanDerWaalsContact O-CZ 3.31Å; G40-R67 PolarHBondContact O-NE 2.97Å; G40-R67 PolarHBondContact O-NH2 2.85Å
41V98.3Very high98.2Very high44 Ų4454.4 Ų54.427%0.26728%0.279SS..EExtended strand (participates in β ladder)trans-144.8160.5175.3-66.10000112V39 L63V39-V41 VanDerWaalsContact C-N 3.34Å; V39-V41 HydrophobicContact CG1-CG2 3.91Å; V39-V41 PolarHBondContact O-N 3.14Å; V41-L63 HydrophobicContact CB-CD1 4.38Å; V41-L63 HydrophobicContact CG1-CD1 4.17Å; V41-L63 HydrophobicContact CG1-CD2 4.26Å
42Y98.6Very high98.1Very high24 Ų2455.1 Ų55.19%0.09429%0.285CS..EExtended strand (participates in β ladder)trans-71.5137170.4-70.5-91.4000110.4V33 R34 F35 W56 N57 V62 L63 A66V33-Y42 HydrophobicContact CG2-CD1 4.29Å; R34-Y42 CarbonylContact O-C 3.59Å; R34-Y42 VanDerWaalsContact O-CA 3.28Å; R34-Y42 WeakPolarHBondContact O-CA 3.31Å; F35-Y42 HydrophobicContact CB-CD1 3.7Å; F35-Y42 HydrophobicContact CB-CE1 3.6Å; F35-Y42 HydrophobicContact CB-CE2 4.43Å; F35-Y42 HydrophobicContact CB-CG 4.19Å; F35-Y42 HydrophobicContact CD2-CD2 4.12Å; F35-Y42 HydrophobicContact CD2-CE2 4.11Å; F35-Y42 HydrophobicContact CD2-CG 4.41Å; Y42-W56 HydrophobicContact CD1-CD2 4.47Å; Y42-W56 AromaticContact CD1-CE3 3.42Å; Y42-W56 HydrophobicContact CD1-CE3 3.42Å; Y42-W56 VanDerWaalsContact CD1-CE3 3.42Å; Y42-W56 AromaticContact CD1-CZ3 3.9Å; Y42-W56 HydrophobicContact CD1-CZ3 3.9Å; Y42-W56 HydrophobicContact CD2-CB 3.77Å; Y42-W56 HydrophobicContact CD2-CE3 4.48Å; Y42-W56 HydrophobicContact CE1-CD2 4.45Å; Y42-W56 AromaticContact CE1-CE3 3.59Å; Y42-W56 HydrophobicContact CE1-CE3 3.59Å; Y42-W56 AromaticContact CE1-CZ3 3.96Å; Y42-W56 HydrophobicContact CE1-CZ3 3.96Å; Y42-W56 HydrophobicContact CE2-CB 4.03Å; Y42-W56 HydrophobicContact CG-CB 4.14Å; Y42-W56 AromaticContact CG-CE3 3.9Å; Y42-W56 HydrophobicContact CG-CE3 3.9Å; Y42-N57 PolarHBondContact N-OD1 3.26Å; Y42-N57 PolarHBondContact O-ND2 3.49Å; Y42-V62 HydrophobicContact CE2-CG1 4.06Å; Y42-L63 HydrophobicContact CD2-CD1 4.41Å; Y42-A66 HydrophobicContact CE2-CB 3.97Å
43R98.5Very high98.2Very high161 Ų16153.7 Ų53.761%0.60828%0.281SS*.EExtended strand (participates in β ladder)trans-126.4131.9175.3-75.4-170.2147.6-174.6-7.7110.3V33 R34 V45V33-R43 WeakPolarHBondContact CA-O 3.2Å; R34-R43 PolarHBondContact N-O 2.97Å; R34-R43 PolarHBondContact O-N 2.85Å; R43-V45 PolarHBondContact O-N 3.03Å
44A98.3Very high98.1Very high37 Ų3760 Ų6031%0.30631%0.311SS..EExtended strand (participates in β ladder)trans-64.1124.5166.500000108.9G49 R50 A53A44-G49 VanDerWaalsContact CB-C 3.46Å; A44-R50 HydrophobicContact CB-CB 4.4Å; A44-R50 HydrophobicContact CB-CG 3.84Å; A44-A53 HydrophobicContact CB-CB 4.23Å
45V98.4Very high98.1Very high64 Ų6462.7 Ų62.739%0.38832%0.322SS..SBendtrans-85.9-29.8173.1179.30000109.6E31 Y32 R34 R43E31-V45 HydrophobicContact CG-CB 4.43Å; E31-V45 HydrophobicContact CG-CG2 4.05Å; E31-V45 WeakPolarHBondContact O-CB 3.4Å; E31-V45 WeakPolarHBondContact O-CG1 3.44Å; Y32-V45 PolarHBondContact O-N 2.83Å; R34-V45 HydrophobicContact CB-CG2 4.22Å; R34-V45 HydrophobicContact CG-CG2 3.76Å; R43-V45 PolarHBondContact O-N 3.03Å
46T98.1Very high98.1Very high21 Ų2165 Ų6513%0.12933%0.331CS..SBendtrans-129.416217769.30000110.1E30 E31 Y32 Q48 G49E30-T46 HydrophobicContact CG-CG2 3.86Å; E30-T46 VanDerWaalsContact OE1-CG2 3.27Å; E30-T46 WeakPolarHBondContact OE1-CG2 3.45Å; E31-T46 WeakPolarHBondContact O-CG2 3.4Å; Y32-T46 WeakPolarHBondContact CA-OG1 3.37Å; Y32-T46 WeakPolarHBondContact CB-OG1 3.44Å; Y32-T46 PolarHBondContact O-N 3.2Å; T46-Q48 PolarHBondContact O-N 2.89Å; T46-Q48 VanDerWaalsContact O-N 3.15Å; T46-Q48 PolarHBondContact OG1-OE1 2.85Å; T46-G49 PolarHBondContact O-N 2.84Å
47P97.9Very high98.1Very high86 Ų8666.7 Ų66.756%0.55834%0.34SS*.G310 helixtrans-54-34.7179.3-27.636.2000113.9G49 R50P47-G49 PolarHBondContact O-N 2.65Å; P47-R50 WeakPolarHBondContact O-CG 3.24Å; P47-R50 PolarHBondContact O-N 3.46Å
48Q96.1Very high98.1Very high126 Ų12669.3 Ų69.359%0.58936%0.358SS*.G310 helixtrans-65.7-24.6-179.1-64.278.33.500112.6T46 P51T46-Q48 PolarHBondContact O-N 2.89Å; T46-Q48 VanDerWaalsContact O-N 3.15Å; T46-Q48 PolarHBondContact OG1-OE1 2.85Å; Q48-P51 WeakPolarHBondContact O-CD 3.33Å
49G98.2Very high98.2Very high0 Ų068.9 Ų68.90%035%0.353CS..G310 helixtrans-86.7-2.8178.100000115.8Y32 A44 T46 P47 S52 A53Y32-G49 WeakPolarHBondContact O-CA 3.5Å; A44-G49 VanDerWaalsContact CB-C 3.46Å; T46-G49 PolarHBondContact O-N 2.84Å; P47-G49 PolarHBondContact O-N 2.65Å; G49-S52 PolarHBondContact O-N 3.03Å; G49-A53 WeakPolarHBondContact O-CB 3.45Å; G49-A53 PolarHBondContact O-N 3.36Å
50R98.6Very high98.1Very high152 Ų15272.8 Ų72.857%0.57437%0.365SS*.Hα-helixtrans-56.9-48.6177.7-66.5179.9-172.3-176.53.6112.7A44 P47 S52 A53 E54A44-R50 HydrophobicContact CB-CB 4.4Å; A44-R50 HydrophobicContact CB-CG 3.84Å; P47-R50 WeakPolarHBondContact O-CG 3.24Å; P47-R50 PolarHBondContact O-N 3.46Å; R50-S52 VanDerWaalsContact C-N 3.31Å; R50-S52 PolarHBondContact O-N 2.93Å; R50-A53 PolarHBondContact O-N 2.91Å; R50-E54 WeakPolarHBondContact O-CB 3.36Å; R50-E54 WeakPolarHBondContact O-CG 3.22Å; R50-E54 PolarHBondContact O-N 2.99Å
51P98.5Very high98.1Very high83 Ų8380.2 Ų80.254%0.53940%0.397SS..Hα-helixtrans-60.3-40.9-179.8-22.534.8000112.4Q48 Y55Q48-P51 WeakPolarHBondContact O-CD 3.33Å; P51-Y55 WeakPolarHBondContact O-CB 3.49Å; P51-Y55 PolarHBondContact O-N 3.02Å
52S98.2Very high98.1Very high31 Ų3181 Ų8122%0.21740%0.401CS..Hα-helixtrans-67.7-43.2178.1-54.90000112.3G49 R50 W56G49-S52 PolarHBondContact O-N 3.03Å; R50-S52 VanDerWaalsContact C-N 3.31Å; R50-S52 PolarHBondContact O-N 2.93Å; S52-W56 WeakPolarHBondContact O-CB 3.49Å; S52-W56 VanDerWaalsContact O-CG 3.26Å; S52-W56 PolarHBondContact O-N 3.31Å
53A98.6Very high98Very high7 Ų780.7 Ų80.76%0.05840%0.401CS..Hα-helixtrans-63.2-46.1178.300000111.5V33 A44 G49 R50 N57V33-A53 HydrophobicContact CG2-CB 4Å; A44-A53 HydrophobicContact CB-CB 4.23Å; G49-A53 WeakPolarHBondContact O-CB 3.45Å; G49-A53 PolarHBondContact O-N 3.36Å; R50-A53 PolarHBondContact O-N 2.91Å; A53-N57 VanDerWaalsContact O-CB 3.23Å; A53-N57 WeakPolarHBondContact O-CB 3.38Å; A53-N57 PolarHBondContact O-N 2.92Å; A53-N57 PolarHBondContact O-ND2 3.02Å
54E98.4Very high97.9Very high133 Ų13377.6 Ų77.662%0.62139%0.393SS*.Hα-helixtrans-61.6-49.1177.2-72.7168-167.200111.2R50 N57 S58R50-E54 WeakPolarHBondContact O-CB 3.36Å; R50-E54 WeakPolarHBondContact O-CG 3.22Å; R50-E54 PolarHBondContact O-N 2.99Å; E54-N57 PolarHBondContact O-N 2.97Å; E54-S58 PolarHBondContact O-N 3.09Å
55Y98.4Very high97.9Very high137 Ų13777.7 Ų77.754%0.53740%0.399SS..Hα-helixtrans-61.5-47.2179179.9-108.2000112.5P51 N57 S58 Q59P51-Y55 WeakPolarHBondContact O-CB 3.49Å; P51-Y55 PolarHBondContact O-N 3.02Å; Y55-N57 PolarHBondContact O-N 3.12Å; Y55-S58 PolarHBondContact O-N 2.86Å; Y55-S58 PolarHBondContact O-OG 3.2Å; Y55-Q59 WeakPolarHBondContact O-CG 3.29Å; Y55-Q59 PolarHBondContact O-N 3.35Å
56W98.4Very high97.7Very high49 Ų4975.1 Ų75.119%0.18638%0.384CS..Hα-helixtrans-70.6-32.2-179.9-64.2-27.1000113H25 V33 Y42 S52 S58 Q59 V62H25-W56 AromaticContact CD2-CZ3 3.88Å; H25-W56 AromaticContact CE1-CH2 3.48Å; H25-W56 VanDerWaalsContact CE1-CH2 3.48Å; H25-W56 WeakPolarHBondContact CE1-CH2 3.24Å; H25-W56 AromaticContact CE1-CZ3 3.8Å; H25-W56 AromaticContact CG-CH2 3.92Å; H25-W56 AromaticContact ND1-CH2 3.5Å; H25-W56 AromaticContact NE2-CH2 3.89Å; H25-W56 AromaticContact NE2-CZ3 3.72Å; V33-W56 HydrophobicContact CB-CZ3 4.27Å; V33-W56 HydrophobicContact CG1-CE3 4.4Å; V33-W56 HydrophobicContact CG1-CH2 3.78Å; V33-W56 HydrophobicContact CG1-CZ3 3.37Å; V33-W56 HydrophobicContact CG2-CE3 4.15Å; V33-W56 HydrophobicContact CG2-CZ3 3.86Å; Y42-W56 HydrophobicContact CD1-CD2 4.47Å; Y42-W56 AromaticContact CD1-CE3 3.42Å; Y42-W56 HydrophobicContact CD1-CE3 3.42Å; Y42-W56 VanDerWaalsContact CD1-CE3 3.42Å; Y42-W56 AromaticContact CD1-CZ3 3.9Å; Y42-W56 HydrophobicContact CD1-CZ3 3.9Å; Y42-W56 HydrophobicContact CD2-CB 3.77Å; Y42-W56 HydrophobicContact CD2-CE3 4.48Å; Y42-W56 HydrophobicContact CE1-CD2 4.45Å; Y42-W56 AromaticContact CE1-CE3 3.59Å; Y42-W56 HydrophobicContact CE1-CE3 3.59Å; Y42-W56 AromaticContact CE1-CZ3 3.96Å; Y42-W56 HydrophobicContact CE1-CZ3 3.96Å; Y42-W56 HydrophobicContact CE2-CB 4.03Å; Y42-W56 HydrophobicContact CG-CB 4.14Å; Y42-W56 AromaticContact CG-CE3 3.9Å; Y42-W56 HydrophobicContact CG-CE3 3.9Å; S52-W56 WeakPolarHBondContact O-CB 3.49Å; S52-W56 VanDerWaalsContact O-CG 3.26Å; S52-W56 PolarHBondContact O-N 3.31Å; W56-S58 VanDerWaalsContact C-N 3.3Å; W56-S58 PolarHBondContact O-N 2.88Å; W56-Q59 PolarHBondContact O-N 2.96Å; W56-V62 HydrophobicContact CB-CG1 4.16Å; W56-V62 HydrophobicContact CG-CG1 4.42Å
57N98.6Very high97.7Very high50 Ų5079.8 Ų79.827%0.26740%0.399SS..Hα-helixtrans-71.1-25.1174.6-72.3-29.6000112.8Y42 A53 E54 Y55 Q59Y42-N57 PolarHBondContact N-OD1 3.26Å; Y42-N57 PolarHBondContact O-ND2 3.49Å; A53-N57 VanDerWaalsContact O-CB 3.23Å; A53-N57 WeakPolarHBondContact O-CB 3.38Å; A53-N57 PolarHBondContact O-N 2.92Å; A53-N57 PolarHBondContact O-ND2 3.02Å; E54-N57 PolarHBondContact O-N 2.97Å; Y55-N57 PolarHBondContact O-N 3.12Å; N57-Q59 VanDerWaalsContact C-N 3.29Å
58S98.1Very high97.6Very high85 Ų8577.2 Ų77.259%0.59439%0.385SS*.Hα-helixtrans-77.9-14.6174.675.40000113.3E54 Y55 W56E54-S58 PolarHBondContact O-N 3.09Å; Y55-S58 PolarHBondContact O-N 2.86Å; Y55-S58 PolarHBondContact O-OG 3.2Å; W56-S58 VanDerWaalsContact C-N 3.3Å; W56-S58 PolarHBondContact O-N 2.88Å
59Q98.3Very high97.5Very high79 Ų7972.2 Ų72.237%0.36936%0.364SS..  trans-94.5100.5179.4-61.5-65.7-20.500110.1Y55 W56 N57 E61 V62 L63Y55-Q59 WeakPolarHBondContact O-CG 3.29Å; Y55-Q59 PolarHBondContact O-N 3.35Å; W56-Q59 PolarHBondContact O-N 2.96Å; N57-Q59 VanDerWaalsContact C-N 3.29Å; Q59-E61 VanDerWaalsContact C-N 3.33Å; Q59-E61 PolarHBondContact O-N 2.91Å; Q59-V62 HydrophobicContact CB-CB 3.88Å; Q59-V62 HydrophobicContact CB-CG2 3.68Å; Q59-V62 HydrophobicContact CG-CG2 4.44Å; Q59-V62 PolarHBondContact O-N 3.22Å; Q59-V62 VanDerWaalsContact O-N 3.13Å; Q59-L63 PolarHBondContact O-N 2.96Å; Q59-L63 VanDerWaalsContact O-N 3.09Å
60K97.1Very high97.4Very high148 Ų14873 Ų7364%0.64337%0.369SS*.Hα-helixtrans-53-47.5-175.3-177.6178175.5-175.30112.8V62 L63 E64K60-V62 VanDerWaalsContact C-N 3.33Å; K60-V62 PolarHBondContact O-N 3.26Å; K60-L63 PolarHBondContact O-N 2.93Å; K60-E64 VanDerWaalsContact CE-CD 3.48Å; K60-E64 WeakPolarHBondContact CE-OE1 3.4Å; K60-E64 HydrophobicContact CG-CG 4.31Å; K60-E64 IonicContact NZ-OE1 3.8Å; K60-E64 WeakPolarHBondContact O-CB 3.28Å; K60-E64 WeakPolarHBondContact O-CG 3.36Å; K60-E64 PolarHBondContact O-N 3.29Å
61E97.1Very high97.2Very high168 Ų16870.3 Ų70.379%0.78537%0.366SS*.Hα-helixtrans-63.6-38.1-178.2-63.1-178.4179.200112.4Q59 G65Q59-E61 VanDerWaalsContact C-N 3.33Å; Q59-E61 PolarHBondContact O-N 2.91Å; E61-G65 PolarHBondContact O-N 2.67Å
62V96.9Very high97.1Very high60 Ų6075.9 Ų75.936%0.36438%0.376SS..Hα-helixtrans-65.8-44.7177.6175.80000110.5Y42 W56 Q59 K60 A66Y42-V62 HydrophobicContact CE2-CG1 4.06Å; W56-V62 HydrophobicContact CB-CG1 4.16Å; W56-V62 HydrophobicContact CG-CG1 4.42Å; Q59-V62 HydrophobicContact CB-CB 3.88Å; Q59-V62 HydrophobicContact CB-CG2 3.68Å; Q59-V62 HydrophobicContact CG-CG2 4.44Å; Q59-V62 PolarHBondContact O-N 3.22Å; Q59-V62 VanDerWaalsContact O-N 3.13Å; K60-V62 VanDerWaalsContact C-N 3.33Å; K60-V62 PolarHBondContact O-N 3.26Å; V62-A66 WeakPolarHBondContact O-CB 3.27Å; V62-A66 PolarHBondContact O-N 2.98Å
63L97.3Very high97Very high18 Ų1877.7 Ų77.79%0.09439%0.386CS..Hα-helixtrans-69.7-42.2-178.6-175.258.7000112.2F35 G40 V41 Y42 Q59 K60 A66 R67F35-L63 HydrophobicContact CD2-CD1 4.47Å; F35-L63 HydrophobicContact CE2-CD1 4.02Å; G40-L63 WeakPolarHBondContact O-CD1 3.43Å; V41-L63 HydrophobicContact CB-CD1 4.38Å; V41-L63 HydrophobicContact CG1-CD1 4.17Å; V41-L63 HydrophobicContact CG1-CD2 4.26Å; Y42-L63 HydrophobicContact CD2-CD1 4.41Å; Q59-L63 PolarHBondContact O-N 2.96Å; Q59-L63 VanDerWaalsContact O-N 3.09Å; K60-L63 PolarHBondContact O-N 2.93Å; L63-A66 PolarHBondContact O-N 3.17Å; L63-R67 VanDerWaalsContact O-CG 3.31Å; L63-R67 WeakPolarHBondContact O-CG 3.48Å; L63-R67 PolarHBondContact O-N 3.44Å
64E97.2Very high96.9Very high95 Ų9577.5 Ų77.544%0.44438%0.384SS..Hα-helixtrans-65-41.4174.7-73.1-179.8166.700111.6K60 A66 R67 A68K60-E64 VanDerWaalsContact CE-CD 3.48Å; K60-E64 WeakPolarHBondContact CE-OE1 3.4Å; K60-E64 HydrophobicContact CG-CG 4.31Å; K60-E64 IonicContact NZ-OE1 3.8Å; K60-E64 WeakPolarHBondContact O-CB 3.28Å; K60-E64 WeakPolarHBondContact O-CG 3.36Å; K60-E64 PolarHBondContact O-N 3.29Å; E64-A66 PolarHBondContact O-N 3.29Å; E64-R67 PolarHBondContact O-N 2.72Å; E64-A68 WeakPolarHBondContact O-CB 3.44Å; E64-A68 PolarHBondContact O-N 3.14Å
65G96.6Very high96.8Very high40 Ų4074.3 Ų74.341%0.41237%0.366SS..Hα-helixtrans-60.2-43173.200000112.7E61 A68 S69E61-G65 PolarHBondContact O-N 2.67Å; G65-A68 PolarHBondContact O-N 3.46Å; G65-S69 PolarHBondContact O-N 2.92Å
66A96.3Very high96.6Very high9 Ų972.5 Ų72.57%0.07436%0.362CS..Hα-helixtrans-63.5-43.1176.100000112.1F35 Y42 V62 L63 E64 S69F35-A66 HydrophobicContact CD1-CB 4.06Å; F35-A66 HydrophobicContact CD2-CB 3.76Å; F35-A66 HydrophobicContact CE1-CB 4.05Å; F35-A66 WeakPolarHBondContact CE1-O 3.49Å; F35-A66 HydrophobicContact CE2-CB 3.74Å; F35-A66 HydrophobicContact CG-CB 3.93Å; F35-A66 HydrophobicContact CZ-CB 3.9Å; Y42-A66 HydrophobicContact CE2-CB 3.97Å; V62-A66 WeakPolarHBondContact O-CB 3.27Å; V62-A66 PolarHBondContact O-N 2.98Å; L63-A66 PolarHBondContact O-N 3.17Å; E64-A66 PolarHBondContact O-N 3.29Å; A66-S69 VanDerWaalsContact O-CB 3.28Å; A66-S69 WeakPolarHBondContact O-CB 3.36Å; A66-S69 PolarHBondContact O-N 3.46Å; A66-S69 PolarHBondContact O-OG 2.71Å
67R97.1Very high96.5Very high120 Ų12074.3 Ų74.345%0.45338%0.375SS..Hα-helixtrans-62.2-43.3175.2-71.2166.6179.2173.6-2112F35 G40 L63 E64 S69F35-R67 HydrophobicContact CE2-CG 4.16Å; F35-R67 HydrophobicContact CZ-CB 4.42Å; F35-R67 HydrophobicContact CZ-CG 3.78Å; G40-R67 VanDerWaalsContact O-CZ 3.31Å; G40-R67 PolarHBondContact O-NE 2.97Å; G40-R67 PolarHBondContact O-NH2 2.85Å; L63-R67 VanDerWaalsContact O-CG 3.31Å; L63-R67 WeakPolarHBondContact O-CG 3.48Å; L63-R67 PolarHBondContact O-N 3.44Å; E64-R67 PolarHBondContact O-N 2.72Å; R67-S69 PolarHBondContact O-N 2.64Å
68A96.6Very high96.3Very high32 Ų3273.9 Ų73.926%0.26437%0.371SS..Hα-helixtrans-69.8-12179.500000113.9E64 G65 V70 D71 R72E64-A68 WeakPolarHBondContact O-CB 3.44Å; E64-A68 PolarHBondContact O-N 3.14Å; G65-A68 PolarHBondContact O-N 3.46Å; A68-V70 PolarHBondContact O-N 2.64Å; A68-D71 PolarHBondContact O-N 2.86Å; A68-R72 WeakPolarHBondContact O-CB 3.32Å; A68-R72 PolarHBondContact O-N 2.91Å
69S93.8Very high96.1Very high21 Ų2175.9 Ų75.915%0.14737%0.371CS..Hα-helixtrans-62.7-27.3-179.571.40000113.3G65 A66 R67 D71 V73 C74G65-S69 PolarHBondContact O-N 2.92Å; A66-S69 VanDerWaalsContact O-CB 3.28Å; A66-S69 WeakPolarHBondContact O-CB 3.36Å; A66-S69 PolarHBondContact O-N 3.46Å; A66-S69 PolarHBondContact O-OG 2.71Å; R67-S69 PolarHBondContact O-N 2.64Å; S69-D71 VanDerWaalsContact C-N 3.35Å; S69-D71 PolarHBondContact O-N 2.73Å; S69-V73 WeakPolarHBondContact O-CA 3.32Å; S69-V73 VanDerWaalsContact O-CB 3.23Å; S69-V73 WeakPolarHBondContact O-CB 3.48Å; S69-V73 PolarHBondContact O-N 2.96Å; S69-C74 PolarHBondContact O-N 2.96Å; S69-C74 VanDerWaalsContact O-N 3.08Å
70V95.6Very high95.8Very high17 Ų1776.9 Ų76.910%0.10338%0.382CS..Iπ-helixtrans-58-49.6176.1177.70000110.3V19 S37 A68 C74 R75V19-V70 HydrophobicContact CB-CG1 3.92Å; V19-V70 HydrophobicContact CG1-CG1 3.89Å; S37-V70 VanDerWaalsContact CB-CG2 3.42Å; A68-V70 PolarHBondContact O-N 2.64Å; V70-C74 WeakPolarHBondContact O-CA 3.44Å; V70-C74 WeakPolarHBondContact O-CB 3.44Å; V70-C74 PolarHBondContact O-N 2.83Å; V70-R75 PolarHBondContact O-N 3.37Å
71D95.2Very high95.6Very high94 Ų9471 Ų7150%0.50336%0.36SS..Iπ-helixtrans-82.1-47.1-178-59.1-37.3000111.4A68 S69 V73 R75 H76A68-D71 PolarHBondContact O-N 2.86Å; S69-D71 VanDerWaalsContact C-N 3.35Å; S69-D71 PolarHBondContact O-N 2.73Å; D71-V73 PolarHBondContact O-N 3.1Å; D71-R75 WeakPolarHBondContact OD1-CD 3.41Å; D71-R75 IonicContact OD1-CZ 3.99Å; D71-R75 IonicContact OD1-NE 2.82Å; D71-R75 PolarHBondContact OD1-NE 3Å; D71-H76 PolarHBondContact O-N 2.74Å
72R95.1Very high95.3Very high200 Ų20067.9 Ų67.976%0.75534%0.342SS*.Iπ-helixtrans-70.9-30.5-174.1-72.8-174.3161175.4-4.1114.3A68 H76A68-R72 WeakPolarHBondContact O-CB 3.32Å; A68-R72 PolarHBondContact O-N 2.91Å; R72-H76 VanDerWaalsContact O-CB 3.3Å; R72-H76 WeakPolarHBondContact O-CB 3.25Å
73V95.6Very high94.5Very high70 Ų7075.6 Ų75.642%0.42437%0.365SS..Iπ-helixtrans-110.8-58.6-177.1-176.40000109.9S69 D71 N77S69-V73 WeakPolarHBondContact O-CA 3.32Å; S69-V73 VanDerWaalsContact O-CB 3.23Å; S69-V73 WeakPolarHBondContact O-CB 3.48Å; S69-V73 PolarHBondContact O-N 2.96Å; D71-V73 PolarHBondContact O-N 3.1Å; V73-N77 WeakPolarHBondContact O-CB 3.49Å; V73-N77 PolarHBondContact O-N 3.07Å; V73-N77 PolarHBondContact O-ND2 2.89Å
74C97.1Very high93.9Very high3 Ų377.1 Ų77.12%0.0239%0.385CS..Iπ-helixtrans-67.8-55.1-171.4-59.60000112.4C10 F12 V19 S69 V70 Y78C10-C74 HydrophobicContact CB-CB 3.53Å; C10-C74 WeakPolarHBondContact CB-SG 3.43Å; C10-C74 WeakPolarHBondContact SG-CA 3.43Å; C10-C74 WeakPolarHBondContact SG-CB 3.13Å; C10-C74 CovalentContact SG-SG 2.03Å; C10-C74 PolarHBondContact SG-SG 3.15Å; F12-C74 HydrophobicContact CE1-CB 4.2Å; F12-C74 HydrophobicContact CZ-CB 4.01Å; F12-C74 WeakPolarHBondContact CZ-O 3.49Å; V19-C74 HydrophobicContact CG1-CB 3.56Å; S69-C74 PolarHBondContact O-N 2.96Å; S69-C74 VanDerWaalsContact O-N 3.08Å; V70-C74 WeakPolarHBondContact O-CA 3.44Å; V70-C74 WeakPolarHBondContact O-CB 3.44Å; V70-C74 PolarHBondContact O-N 2.83Å; C74-Y78 VanDerWaalsContact O-CB 3.3Å; C74-Y78 WeakPolarHBondContact O-CB 3.44Å; C74-Y78 PolarHBondContact O-N 3.16Å
75R96.4Very high93.5Very high65 Ų6576 Ų7625%0.24538%0.381CS..Iπ-helixtrans-64.7-47.7-179.9-65.5-179.1-173-74.4-6.6111.8T16 V19 V70 D71 N77 Y78 E79T16-R75 PolarHBondContact O-NH1 2.86Å; V19-R75 HydrophobicContact CG2-CG 4.14Å; V70-R75 PolarHBondContact O-N 3.37Å; D71-R75 WeakPolarHBondContact OD1-CD 3.41Å; D71-R75 IonicContact OD1-CZ 3.99Å; D71-R75 IonicContact OD1-NE 2.82Å; D71-R75 PolarHBondContact OD1-NE 3Å; R75-N77 PolarHBondContact O-N 3.25Å; R75-Y78 WeakPolarHBondContact O-CB 3.44Å; R75-Y78 PolarHBondContact O-N 3.29Å; R75-Y78 VanDerWaalsContact O-N 3.16Å; R75-E79 WeakPolarHBondContact O-CG 3.38Å; R75-E79 PolarHBondContact O-N 3.05Å
76H94.9Very high93.1Very high100 Ų10077.1 Ų77.146%0.46338%0.378SS..Hα-helixtrans-54.8-51.4177.4179.768.6000112.3D71 R72 Y78 E79 V80D71-H76 PolarHBondContact O-N 2.74Å; R72-H76 VanDerWaalsContact O-CB 3.3Å; R72-H76 WeakPolarHBondContact O-CB 3.25Å; H76-Y78 VanDerWaalsContact C-N 3.31Å; H76-Y78 PolarHBondContact O-N 3.16Å; H76-E79 PolarHBondContact O-N 2.9Å; H76-V80 WeakPolarHBondContact O-CG2 3.33Å; H76-V80 PolarHBondContact O-N 3.36Å; H76-V80 VanDerWaalsContact O-N 3.09Å
77N95.3Very high92.9Very high86 Ų8681.1 Ų81.146%0.4640%0.395SS..Hα-helixtrans-68.6-31.6179.9-70.3-24000112.3V73 R75 V80 A81V73-N77 WeakPolarHBondContact O-CB 3.49Å; V73-N77 PolarHBondContact O-N 3.07Å; V73-N77 PolarHBondContact O-ND2 2.89Å; R75-N77 PolarHBondContact O-N 3.25Å; N77-V80 PolarHBondContact O-N 3.37Å; N77-A81 WeakPolarHBondContact O-CB 3.2Å; N77-A81 PolarHBondContact O-N 2.84Å
78Y95.7Very high92.8Very high42 Ų4280.6 Ų80.617%0.16539%0.393CS..Hα-helixtrans-60.2-47172.2-176.3-78.8000110.9F12 G15 T16 C74 R75 H76 V80 A81 Y82 L86F12-Y78 HydrophobicContact CB-CD2 4.36Å; F12-Y78 HydrophobicContact CB-CE2 4.17Å; F12-Y78 AromaticContact CD1-CD2 3.36Å; F12-Y78 HydrophobicContact CD1-CD2 3.36Å; F12-Y78 AromaticContact CD1-CE2 3.94Å; F12-Y78 HydrophobicContact CD1-CE2 3.94Å; F12-Y78 HydrophobicContact CD1-CG 4.07Å; 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 3.49Å; F12-Y78 HydrophobicContact CE1-CD2 3.49Å; F12-Y78 VanDerWaalsContact CE1-CD2 3.49Å; F12-Y78 HydrophobicContact CE1-CE2 4.49Å; F12-Y78 AromaticContact CE1-CG 3.86Å; F12-Y78 HydrophobicContact CE1-CG 3.86Å; F12-Y78 HydrophobicContact CE2-CD2 4.08Å; F12-Y78 AromaticContact CG-CD2 3.63Å; F12-Y78 HydrophobicContact CG-CD2 3.63Å; F12-Y78 AromaticContact CG-CE2 3.94Å; F12-Y78 HydrophobicContact CG-CE2 3.94Å; F12-Y78 AromaticContact CZ-CD2 3.85Å; F12-Y78 HydrophobicContact CZ-CD2 3.85Å; F12-Y78 HydrophobicContact CZ-CG 4.3Å; G15-Y78 WeakPolarHBondContact CA-OH 3.12Å; T16-Y78 HydrophobicContact CG2-CD1 3.33Å; T16-Y78 HydrophobicContact CG2-CD2 4.27Å; T16-Y78 HydrophobicContact CG2-CE1 3.63Å; T16-Y78 HydrophobicContact CG2-CE2 4.48Å; T16-Y78 HydrophobicContact CG2-CG 3.7Å; C74-Y78 VanDerWaalsContact O-CB 3.3Å; C74-Y78 WeakPolarHBondContact O-CB 3.44Å; C74-Y78 PolarHBondContact O-N 3.16Å; R75-Y78 WeakPolarHBondContact O-CB 3.44Å; R75-Y78 PolarHBondContact O-N 3.29Å; R75-Y78 VanDerWaalsContact O-N 3.16Å; H76-Y78 VanDerWaalsContact C-N 3.31Å; H76-Y78 PolarHBondContact O-N 3.16Å; Y78-V80 PolarHBondContact O-N 3.28Å; Y78-A81 CarbonylContact O-C 3.54Å; Y78-A81 PolarHBondContact O-N 2.9Å; Y78-Y82 AromaticContact CE1-CD2 3.67Å; Y78-Y82 HydrophobicContact CE1-CD2 3.67Å; Y78-Y82 HydrophobicContact CE1-CE2 4.38Å; Y78-Y82 HydrophobicContact CE1-CG 4.44Å; Y78-Y82 WeakPolarHBondContact O-CA 3.45Å; Y78-Y82 WeakPolarHBondContact O-CB 3.31Å; Y78-Y82 PolarHBondContact O-N 3.01Å; Y78-L86 HydrophobicContact CD1-CD1 4.17Å; Y78-L86 HydrophobicContact CD2-CD1 3.58Å; Y78-L86 HydrophobicContact CE1-CD1 3.84Å; Y78-L86 HydrophobicContact CE2-CD1 3.23Å; Y78-L86 HydrophobicContact CG-CD1 4.04Å
79E92.7Very high92.8Very high127 Ų12784.7 Ų84.759%0.59340%0.401SS*.Hα-helixtrans-61.6-43.7179.1-71.5171.3-173.600111.9R75 H76 Y82R75-E79 WeakPolarHBondContact O-CG 3.38Å; R75-E79 PolarHBondContact O-N 3.05Å; H76-E79 PolarHBondContact O-N 2.9Å; E79-Y82 WeakPolarHBondContact O-CB 3.04Å; E79-Y82 PolarHBondContact O-N 2.7Å
80V92.8Very high93Very high99 Ų9985.6 Ų85.660%0.641%0.406SS*.Hα-helixtrans-63-44.6175175.80000110.9H76 N77 Y78 Y82H76-V80 WeakPolarHBondContact O-CG2 3.33Å; H76-V80 PolarHBondContact O-N 3.36Å; H76-V80 VanDerWaalsContact O-N 3.09Å; N77-V80 PolarHBondContact O-N 3.37Å; Y78-V80 PolarHBondContact O-N 3.28Å; V80-Y82 VanDerWaalsContact C-N 3.3Å; V80-Y82 PolarHBondContact O-N 3.36Å
81A92.4Very high93.1Very high24 Ų2490.3 Ų90.320%0.19843%0.426CS..Hα-helixtrans-73.7-19.6-179.600000113.4N77 Y78 R83 G84 I85 L86N77-A81 WeakPolarHBondContact O-CB 3.2Å; N77-A81 PolarHBondContact O-N 2.84Å; Y78-A81 CarbonylContact O-C 3.54Å; Y78-A81 PolarHBondContact O-N 2.9Å; A81-R83 PolarHBondContact O-N 3.22Å; A81-G84 PolarHBondContact O-N 2.94Å; A81-I85 HydrophobicContact CB-CB 4.37Å; A81-I85 HydrophobicContact CB-CD1 4.23Å; A81-I85 PolarHBondContact O-N 2.93Å; A81-L86 PolarHBondContact O-N 2.78Å
82Y89.9Confident93.3Very high103 Ų10386.2 Ų86.240%0.40441%0.405SS..Iπ-helixtrans-58.4-52.7-169.5-176.7-103.3000112.1Y78 E79 V80 G84 L86 Q87Y78-Y82 AromaticContact CE1-CD2 3.67Å; Y78-Y82 HydrophobicContact CE1-CD2 3.67Å; Y78-Y82 HydrophobicContact CE1-CE2 4.38Å; Y78-Y82 HydrophobicContact CE1-CG 4.44Å; Y78-Y82 WeakPolarHBondContact O-CA 3.45Å; Y78-Y82 WeakPolarHBondContact O-CB 3.31Å; Y78-Y82 PolarHBondContact O-N 3.01Å; E79-Y82 WeakPolarHBondContact O-CB 3.04Å; E79-Y82 PolarHBondContact O-N 2.7Å; V80-Y82 VanDerWaalsContact C-N 3.3Å; V80-Y82 PolarHBondContact O-N 3.36Å; Y82-G84 VanDerWaalsContact C-N 3.29Å; Y82-G84 PolarHBondContact O-N 2.98Å; Y82-L86 HydrophobicContact CD2-CB 4.35Å; Y82-L86 HydrophobicContact CD2-CD1 4.13Å; Y82-Q87 HydrophobicContact CD1-CG 4.47Å; Y82-Q87 HydrophobicContact CE1-CG 4.19Å; Y82-Q87 VanDerWaalsContact CE1-NE2 3.28Å; Y82-Q87 HydrophobicContact CE2-CG 4.5Å; Y82-Q87 WeakPolarHBondContact O-CB 3.32Å; Y82-Q87 VanDerWaalsContact O-CG 3.32Å; Y82-Q87 WeakPolarHBondContact O-CG 3.38Å; Y82-Q87 PolarHBondContact O-N 2.87Å; Y82-Q87 VanDerWaalsContact O-N 3.1Å; Y82-Q87 PolarHBondContact OH-NE2 2.93Å
83R80.9Confident93.5Very high223 Ų22380.3 Ų80.384%0.84239%0.392SS*.Iπ-helixtrans-69-26.4-177.5-65-175.2-179.2-1770.5113.3A81A81-R83 PolarHBondContact O-N 3.22Å
84G85.3Confident93.6Very high50 Ų5078 Ų7852%0.51538%0.377SS..Iπ-helixtrans-98.9-60.6-174.800000113.6A81 Y82 R88A81-G84 PolarHBondContact O-N 2.94Å; Y82-G84 VanDerWaalsContact C-N 3.29Å; Y82-G84 PolarHBondContact O-N 2.98Å; G84-R88 WeakPolarHBondContact O-CB 3.48Å
85I87.6Confident93.7Very high70 Ų7081.2 Ų81.236%0.35940%0.397SS..Iπ-helixtrans-91.5-46.4-168.4-60.8174.4000111.4A81 R88 W148A81-I85 HydrophobicContact CB-CB 4.37Å; A81-I85 HydrophobicContact CB-CD1 4.23Å; A81-I85 PolarHBondContact O-N 2.93Å; I85-R88 WeakPolarHBondContact O-CB 3.45Å; I85-R88 PolarHBondContact O-N 2.89Å; I85-W148 HydrophobicContact CD1-CH2 4.21Å; I85-W148 HydrophobicContact CG2-CE3 4.48Å; I85-W148 HydrophobicContact CG2-CH2 4.02Å; I85-W148 HydrophobicContact CG2-CZ3 3.55Å
86L89.7Confident93.7Very high65 Ų6579.4 Ų79.434%0.3439%0.392SS..Iπ-helixtrans-75.5-34.4-172.4-57.7-176.4000112.2Y78 A81 Y82 R89Y78-L86 HydrophobicContact CD1-CD1 4.17Å; Y78-L86 HydrophobicContact CD2-CD1 3.58Å; Y78-L86 HydrophobicContact CE1-CD1 3.84Å; Y78-L86 HydrophobicContact CE2-CD1 3.23Å; Y78-L86 HydrophobicContact CG-CD1 4.04Å; A81-L86 PolarHBondContact O-N 2.78Å; Y82-L86 HydrophobicContact CD2-CB 4.35Å; Y82-L86 HydrophobicContact CD2-CD1 4.13Å; L86-R89 PolarHBondContact O-NH1 2.87Å
87Q91.6Very high93.8Very high93 Ų9376.9 Ų76.944%0.43539%0.386SS..SBendtrans-86.9-2.2173.4-70-174.1-39.900113.7Y82 R89Y82-Q87 HydrophobicContact CD1-CG 4.47Å; Y82-Q87 HydrophobicContact CE1-CG 4.19Å; Y82-Q87 VanDerWaalsContact CE1-NE2 3.28Å; Y82-Q87 HydrophobicContact CE2-CG 4.5Å; Y82-Q87 WeakPolarHBondContact O-CB 3.32Å; Y82-Q87 VanDerWaalsContact O-CG 3.32Å; Y82-Q87 WeakPolarHBondContact O-CG 3.38Å; Y82-Q87 PolarHBondContact O-N 2.87Å; Y82-Q87 VanDerWaalsContact O-N 3.1Å; Y82-Q87 PolarHBondContact OH-NE2 2.93Å; Q87-R89 PolarHBondContact O-N 2.82Å
88R94.6Very high93.8Very high108 Ų10874.9 Ų74.941%0.40838%0.377SS..  trans-57.2131177-176.2175.7175.480.2-1.4110G84 I85 V90 Y118G84-R88 WeakPolarHBondContact O-CB 3.48Å; I85-R88 WeakPolarHBondContact O-CB 3.45Å; I85-R88 PolarHBondContact O-N 2.89Å; R88-V90 HydrophobicContact CG-CG2 4.31Å; R88-Y118 HydrophobicContact CB-CD1 3.84Å; R88-Y118 HydrophobicContact CB-CE1 3.73Å; R88-Y118 HydrophobicContact CG-CD1 3.76Å; R88-Y118 HydrophobicContact CG-CE1 4.11Å; R88-Y118 HydrophobicContact CG-CG 4.5Å; R88-Y118 VanDerWaalsContact O-CD1 3.32Å; R88-Y118 WeakPolarHBondContact O-CD1 3.35Å
89R96.6Very high93.6Very high119 Ų11975.2 Ų75.245%0.44939%0.386SS..  trans-134130.8173.7-65-59.3178.2-92.2-1.8107.9L86 Q87 Y118L86-R89 PolarHBondContact O-NH1 2.87Å; Q87-R89 PolarHBondContact O-N 2.82Å; R89-Y118 CarbonylContact C-O 3.5Å; R89-Y118 WeakPolarHBondContact CA-O 3.42Å
90V97.8Very high93.5Very high39 Ų3978.5 Ų78.524%0.23639%0.393CS..BIsolated β-bridgetrans-131.5125.2173.4-172.60000106.8R88 D116 F117 Y118 H172 S174R88-V90 HydrophobicContact CG-CG2 4.31Å; V90-D116 WeakPolarHBondContact CG1-O 3.43Å; V90-F117 WeakPolarHBondContact O-CA 3.03Å; V90-Y118 PolarHBondContact N-O 3.26Å; V90-Y118 PolarHBondContact O-N 2.89Å; V90-Y118 VanDerWaalsContact O-N 3.14Å; V90-H172 PolarHBondContact O-CE1 3.09Å; V90-H172 VanDerWaalsContact O-CE1 3.29Å; V90-S174 PolarHBondContact O-OG 3.23Å
91E98.4Very high93.1Very high116 Ų11680.4 Ų80.454%0.54241%0.405SS..PPolyproline II helixtrans-70.2140.5-179.4-63-174.9167.300111.5S174 L175E91-S174 VanDerWaalsContact CA-OG 3.25Å; E91-S174 WeakPolarHBondContact CA-OG 3.33Å; E91-S174 WeakPolarHBondContact CG-OG 3.3Å; E91-L175 HydrophobicContact CB-CD2 3.99Å; E91-L175 HydrophobicContact CG-CD2 3.74Å
92P98.6Very high92.5Very high8 Ų883.9 Ų83.95%0.05242%0.417CS..PPolyproline II helixtrans-70146.517524.8-29.7000111.9V94 V114 T115 F117 I122 V170 H172 L175 I179P92-V94 HydrophobicContact CB-CG2 4.36Å; P92-V114 HydrophobicContact CB-CG1 3.49Å; P92-V114 VanDerWaalsContact CB-CG1 3.49Å; P92-V114 HydrophobicContact CG-CG1 4.32Å; P92-T115 CarbonylContact C-O 3.57Å; P92-T115 VanDerWaalsContact CA-O 3.29Å; P92-T115 WeakPolarHBondContact CA-O 3.25Å; P92-F117 HydrophobicContact CB-CB 3.77Å; P92-F117 HydrophobicContact CB-CD1 4.16Å; P92-F117 HydrophobicContact CB-CG 4.27Å; P92-F117 HydrophobicContact CG-CB 4.41Å; P92-I122 HydrophobicContact CB-CD1 4.49Å; P92-I122 HydrophobicContact CG-CD1 4.49Å; P92-V170 HydrophobicContact CG-CG1 4.02Å; P92-H172 HydrophobicContact CG-CB 4.36Å; P92-L175 HydrophobicContact CG-CD1 4.21Å; P92-I179 HydrophobicContact CG-CD1 4.19Å
93T98.5Very high92.1Very high77 Ų7781.1 Ų81.147%0.47242%0.415SS..EExtended strand (participates in β ladder)trans-87.3131.2157.3-58.10000108.4V114 T115T93-V114 WeakPolarHBondContact O-CA 3.34Å; T93-T115 PolarHBondContact N-O 3.3Å; T93-T115 PolarHBondContact O-N 2.78Å
94V98.6Very high92.1Very high20 Ų2074.2 Ų74.212%0.12140%0.395CS..EExtended strand (participates in β ladder)trans-119.8126.3-178.6-173.50000109.3P92 S113 V114 V170 I179 V181P92-V94 HydrophobicContact CB-CG2 4.36Å; V94-S113 WeakPolarHBondContact CA-O 3.12Å; V94-V114 HydrophobicContact CG2-CG1 4.33Å; V94-V170 HydrophobicContact CG1-CG2 4.04Å; V94-V170 HydrophobicContact CG2-CB 4.17Å; V94-V170 HydrophobicContact CG2-CG1 4.43Å; V94-V170 HydrophobicContact CG2-CG2 3.77Å; V94-I179 HydrophobicContact CB-CG2 4Å; V94-I179 HydrophobicContact CG2-CB 4.28Å; V94-I179 HydrophobicContact CG2-CD1 4.13Å; V94-I179 HydrophobicContact CG2-CG2 3.79Å; V94-V181 HydrophobicContact CB-CG2 3.84Å; V94-V181 HydrophobicContact CG1-CB 4.25Å; V94-V181 HydrophobicContact CG1-CG2 3.62Å
95T98.3Very high92.1Very high72 Ų7277.3 Ų77.344%0.44240%0.4SS..EExtended strand (participates in β ladder)trans-135146.7174.4560000110.1C112 S113T95-C112 WeakPolarHBondContact O-CA 3.32Å; T95-S113 PolarHBondContact N-O 3.44Å; T95-S113 PolarHBondContact O-N 3.42Å
96I97.9Very high92.1Very high26 Ų2680 Ų8013%0.13341%0.41CS..EExtended strand (participates in β ladder)trans-112.8133.6173-61.5176.5000108.9L110 I111 W126 C168 V181 W183I96-L110 HydrophobicContact CG2-CD1 3.54Å; I96-L110 HydrophobicContact CG2-CD2 3.88Å; I96-L110 HydrophobicContact CG2-CG 3.55Å; I96-I111 WeakPolarHBondContact CA-O 3.28Å; I96-W126 HydrophobicContact CD1-CH2 3.83Å; I96-W126 HydrophobicContact CD1-CZ3 3.88Å; I96-W126 HydrophobicContact CG1-CH2 4.01Å; I96-W126 HydrophobicContact CG2-CH2 3.9Å; I96-C168 HydrophobicContact CD1-CB 3.67Å; I96-C168 HydrophobicContact CG1-CB 4Å; I96-V181 HydrophobicContact CB-CG1 4.49Å; I96-V181 HydrophobicContact CD1-CB 3.95Å; I96-V181 HydrophobicContact CD1-CG1 3.85Å; I96-V181 WeakPolarHBondContact CD1-O 3.43Å; I96-V181 HydrophobicContact CG1-CB 4.22Å; I96-V181 HydrophobicContact CG1-CG1 3.92Å; I96-W183 HydrophobicContact CB-CB 4.22Å; I96-W183 HydrophobicContact CD1-CB 4.21Å; I96-W183 HydrophobicContact CG2-CB 3.6Å; I96-W183 HydrophobicContact CG2-CG 3.88Å
97S95.8Very high92.1Very high48 Ų4882.8 Ų82.834%0.33642%0.421SS..EExtended strand (participates in β ladder)trans-143.6144172.259.40000111.2I111S97-I111 PolarHBondContact N-O 3.24Å; S97-I111 WeakPolarHBondContact O-CB 3.4Å; S97-I111 PolarHBondContact O-N 3.43Å
98P95.8Very high92.2Very high43 Ų4378.8 Ų78.828%0.27940%0.403SS..EExtended strand (participates in β ladder)trans-75.5147.6170.433.6-35.4000109.8R100 L109 L110P98-R100 WeakPolarHBondContact CB-O 3.48Å; P98-R100 PolarHBondContact O-N 2.93Å; P98-L109 CarbonylContact C-O 3.59Å; P98-L109 WeakPolarHBondContact CA-O 3.38Å; P98-L110 HydrophobicContact CB-CD1 4.31Å
99S92.3Very high92.2Very high49 Ų4976.1 Ų76.134%0.34340%0.397SS..SBendtrans-67.3-24.2179.5740000113.2N108 L109S99-N108 PolarHBondContact OG-OD1 3.32Å; S99-L109 PolarHBondContact N-O 2.93Å
100R89.7Confident92.2Very high197 Ų19770.5 Ų70.574%0.74338%0.375SS*.SBendtrans-146162.8179.5-57-179.1-159.7-162.13.7109.4P98 E102 N108P98-R100 WeakPolarHBondContact CB-O 3.48Å; P98-R100 PolarHBondContact O-N 2.93Å; R100-E102 PolarHBondContact O-N 3.33Å; R100-N108 PolarHBondContact N-OD1 2.78Å; R100-N108 PolarHBondContact O-ND2 2.78Å
101T85.5Confident92.2Very high139 Ų13970.2 Ų70.285%0.85337%0.372SS*.  trans-48.9131.9173.8-49.80000110.8
102E79.4Confident92.2Very high97 Ų9764.7 Ų64.745%0.45335%0.346SS..  trans-68.6136-174.7-167.1-170.1165.100111.9R100 P160 W183R100-E102 PolarHBondContact O-N 3.33Å; E102-P160 HydrophobicContact CG-CG 4.26Å; E102-W183 VanDerWaalsContact CD-CH2 3.41Å; E102-W183 HydrophobicContact CG-CH2 3.98Å; E102-W183 HydrophobicContact CG-CZ2 4.08Å; E102-W183 WeakPolarHBondContact OE1-CH2 3.36Å; E102-W183 WeakPolarHBondContact OE2-CZ2 2.82Å
103A80.8Confident92.2Very high45 Ų4565.3 Ų65.337%0.37235%0.351SS..  trans-139.4122.9168.200000108.5H106A103-H106 HydrophobicContact CB-CB 4.08Å; A103-H106 WeakPolarHBondContact O-CB 3.37Å; A103-H106 PolarHBondContact O-N 2.86Å; A103-H106 VanDerWaalsContact O-N 3.17Å
104L80.5Confident92.2Very high77 Ų7761.7 Ų61.740%0.40333%0.329SS..THydrogen-bonded Turntrans-58.1141.9-179.7-66.8175.4000110.8H106L104-H106 PolarHBondContact O-CD2 3.33Å; L104-H106 VanDerWaalsContact O-CD2 3.28Å; L104-H106 PolarHBondContact O-N 2.77Å
105N85.1Confident92.2Very high116 Ų11662.1 Ų62.162%0.6233%0.332SS*.THydrogen-bonded Turntrans61.214-177.7-49.7-56000115.2P160N105-P160 PolarHBondContact N-O 2.97Å
106H87.7Confident92.2Very high126 Ų12662 Ų6258%0.58333%0.328SS*.SBendtrans-109.3141.5170.3-69.5-85.5000110.9A103 L104 N108 P160A103-H106 HydrophobicContact CB-CB 4.08Å; A103-H106 WeakPolarHBondContact O-CB 3.37Å; A103-H106 PolarHBondContact O-N 2.86Å; A103-H106 VanDerWaalsContact O-N 3.17Å; L104-H106 PolarHBondContact O-CD2 3.33Å; L104-H106 VanDerWaalsContact O-CD2 3.28Å; L104-H106 PolarHBondContact O-N 2.77Å; H106-N108 PolarHBondContact O-N 3.1Å; H106-P160 WeakPolarHBondContact O-CD 3.32Å
107H90.8Very high92.3Very high124 Ų12460.7 Ų60.757%0.57432%0.321SS*.  trans-59.9133.9176.9175-83.5000111.7M158H107-M158 WeakPolarHBondContact CA-O 3.48Å
108N93Very high92.4Very high9 Ų960 Ų605%0.04831%0.311CS..EExtended strand (participates in β ladder)trans-145.8171.3174.9-154.7-11.9000110.6S99 R100 H106 M158S99-N108 PolarHBondContact OG-OD1 3.32Å; R100-N108 PolarHBondContact N-OD1 2.78Å; R100-N108 PolarHBondContact O-ND2 2.78Å; H106-N108 PolarHBondContact O-N 3.1Å; N108-M158 HydrophobicContact CB-CE 4.13Å; N108-M158 HydrophobicContact CB-SD 4.06Å; N108-M158 PolarHBondContact N-O 3.21Å; N108-M158 PolarHBondContact O-N 3.27Å; N108-M158 VanDerWaalsContact O-O 3.08Å
109L95.3Very high92.4Very high52 Ų5259.1 Ų59.127%0.27231%0.306SS..EExtended strand (participates in β ladder)trans-113.2130.9168.3-65175000108.7P98 S99 L156 E157P98-L109 CarbonylContact C-O 3.59Å; P98-L109 WeakPolarHBondContact CA-O 3.38Å; S99-L109 PolarHBondContact N-O 2.93Å; L109-L156 WeakPolarHBondContact CA-O 3.47Å; L109-E157 HydrophobicContact CD2-CB 4.17Å; L109-E157 HydrophobicContact CD2-CG 3.37Å
110L96.7Very high92.6Very high0 Ų059.3 Ų59.30%031%0.308CS..EExtended strand (participates in β ladder)trans-99.6129.3169.5-162.665.2000109I96 P98 W126 M155 L156 M158 Y166 W183I96-L110 HydrophobicContact CG2-CD1 3.54Å; I96-L110 HydrophobicContact CG2-CD2 3.88Å; I96-L110 HydrophobicContact CG2-CG 3.55Å; P98-L110 HydrophobicContact CB-CD1 4.31Å; L110-W126 HydrophobicContact CB-CH2 4.22Å; L110-W126 HydrophobicContact CB-CZ2 4.36Å; L110-W126 HydrophobicContact CD2-CH2 3.48Å; L110-W126 VanDerWaalsContact CD2-CH2 3.48Å; L110-W126 HydrophobicContact CD2-CZ2 4.38Å; L110-W126 HydrophobicContact CD2-CZ3 3.58Å; L110-W126 HydrophobicContact CG-CH2 3.63Å; L110-W126 HydrophobicContact CG-CZ2 4.21Å; L110-W126 HydrophobicContact CG-CZ3 4.26Å; L110-M155 CarbonylContact O-C 3.54Å; L110-M155 VanDerWaalsContact O-CA 3.25Å; L110-M155 WeakPolarHBondContact O-CA 3.37Å; L110-L156 PolarHBondContact N-O 3.18Å; L110-L156 PolarHBondContact O-N 3.25Å; L110-M158 HydrophobicContact CB-CE 4.22Å; L110-M158 HydrophobicContact CB-CG 4.24Å; L110-M158 HydrophobicContact CD1-CE 4.29Å; L110-Y166 VanDerWaalsContact CD2-CB 3.49Å; L110-Y166 HydrophobicContact CD2-CD1 4.37Å; L110-Y166 HydrophobicContact CD2-CD2 4.44Å; L110-Y166 HydrophobicContact CD2-CG 3.87Å; L110-W183 HydrophobicContact CD1-CB 4.47Å; L110-W183 HydrophobicContact CD1-CD2 3.59Å; L110-W183 HydrophobicContact CD1-CE3 4.01Å; L110-W183 HydrophobicContact CD1-CG 3.78Å; L110-W183 HydrophobicContact CD1-CZ2 4.41Å; L110-W183 HydrophobicContact CD2-CB 4.14Å; L110-W183 HydrophobicContact CD2-CD2 4.05Å; L110-W183 HydrophobicContact CD2-CE3 3.86Å; L110-W183 HydrophobicContact CD2-CG 4.18Å; L110-W183 HydrophobicContact CG-CD2 4.5Å
111I98.3Very high92.9Very high33 Ų3356.5 Ų56.517%0.16930%0.302CS..EExtended strand (participates in β ladder)trans-113.7116.4-170.5-47.9177.6000108.8I96 S97 L153 M155I96-I111 WeakPolarHBondContact CA-O 3.28Å; S97-I111 PolarHBondContact N-O 3.24Å; S97-I111 WeakPolarHBondContact O-CB 3.4Å; S97-I111 PolarHBondContact O-N 3.43Å; I111-L153 HydrophobicContact CG2-CB 4.28Å; I111-L153 HydrophobicContact CG2-CD2 4.46Å; I111-M155 HydrophobicContact CB-CG 4.48Å; I111-M155 HydrophobicContact CG1-CG 4.15Å; I111-M155 HydrophobicContact CG2-CG 4.11Å
112C98.6Very high93.6Very high0 Ų051.3 Ų51.30%027%0.269CS..EExtended strand (participates in β ladder)trans-90.9106.7167.4-1760000108.4T95 W126 V154 C168T95-C112 WeakPolarHBondContact O-CA 3.32Å; C112-W126 HydrophobicContact CB-CH2 4.02Å; C112-W126 HydrophobicContact CB-CZ2 3.46Å; C112-W126 VanDerWaalsContact CB-CZ2 3.46Å; C112-V154 PolarHBondContact N-O 3.22Å; C112-V154 PolarHBondContact O-N 2.62Å; C112-C168 HydrophobicContact CB-CB 3.63Å; C112-C168 WeakPolarHBondContact CB-SG 3.43Å; C112-C168 WeakPolarHBondContact SG-CB 3.31Å; C112-C168 CovalentContact SG-SG 2.02Å; C112-C168 PolarHBondContact SG-SG 2.96Å
113S98.6Very high94.5Very high22 Ų2251.6 Ų51.615%0.15427%0.269CS..EExtended strand (participates in β ladder)trans-92.4114.9177.5-55.50000109V94 T95 L153V94-S113 WeakPolarHBondContact CA-O 3.12Å; T95-S113 PolarHBondContact N-O 3.44Å; T95-S113 PolarHBondContact O-N 3.42Å; S113-L153 WeakPolarHBondContact OG-CD2 3.38Å
114V98.8Very high95.3Very high0 Ų050.8 Ų50.80%026%0.259CS..EExtended strand (participates in β ladder)trans-114.5109.9-179.9-170.10000108.2P92 T93 V94 F117 I122 V124 Q151 I152 V170P92-V114 HydrophobicContact CB-CG1 3.49Å; P92-V114 VanDerWaalsContact CB-CG1 3.49Å; P92-V114 HydrophobicContact CG-CG1 4.32Å; T93-V114 WeakPolarHBondContact O-CA 3.34Å; V94-V114 HydrophobicContact CG2-CG1 4.33Å; V114-F117 HydrophobicContact CB-CE1 4.42Å; V114-F117 HydrophobicContact CG1-CD1 3.95Å; V114-F117 HydrophobicContact CG1-CE1 3.98Å; V114-F117 WeakPolarHBondContact O-CE1 3.37Å; V114-I122 HydrophobicContact CG1-CD1 3.49Å; V114-I122 VanDerWaalsContact CG1-CD1 3.49Å; V114-V124 HydrophobicContact CG2-CG1 4.34Å; V114-V124 HydrophobicContact CG2-CG2 4.01Å; V114-Q151 CarbonylContact O-C 3.5Å; V114-Q151 VanDerWaalsContact O-CA 3.24Å; V114-Q151 WeakPolarHBondContact O-CA 3.36Å; V114-I152 HydrophobicContact CB-CG2 3.98Å; V114-I152 PolarHBondContact N-O 3.47Å; V114-I152 PolarHBondContact O-N 3.37Å; V114-V170 HydrophobicContact CG1-CG1 4.12Å; V114-V170 HydrophobicContact CG2-CG2 3.9Å
115T98.6Very high96.2Very high30 Ų3049.4 Ų49.418%0.18425%0.249CC..EExtended strand (participates in β ladder)trans-124.8164.6-169.766.80000112.7P92 T93 F117 Q151P92-T115 CarbonylContact C-O 3.57Å; P92-T115 VanDerWaalsContact CA-O 3.29Å; P92-T115 WeakPolarHBondContact CA-O 3.25Å; T93-T115 PolarHBondContact N-O 3.3Å; T93-T115 PolarHBondContact O-N 2.78Å; T115-F117 VanDerWaalsContact C-N 3.28Å; T115-F117 PolarHBondContact O-N 2.93Å; T115-Q151 HydrophobicContact CG2-CB 4.11Å
116D98Very high96.8Very high68 Ų6844 Ų4436%0.36422%0.22SC..EExtended strand (participates in β ladder)trans62.126.2166.5-48.7-53.7000115.7V90 F150V90-D116 WeakPolarHBondContact CG1-O 3.43Å; D116-F150 PolarHBondContact N-O 3.29Å; D116-F150 VanDerWaalsContact N-O 3.09Å
117F98.5Very high97.3Very high0 Ų039.5 Ų39.50%020%0.199CC..EExtended strand (participates in β ladder)trans-101.7157-176.865.1-89.6000114.2V90 P92 V114 T115 P119 I122 L142 T149 F150 I152 H172V90-F117 WeakPolarHBondContact O-CA 3.03Å; P92-F117 HydrophobicContact CB-CB 3.77Å; P92-F117 HydrophobicContact CB-CD1 4.16Å; P92-F117 HydrophobicContact CB-CG 4.27Å; P92-F117 HydrophobicContact CG-CB 4.41Å; V114-F117 HydrophobicContact CB-CE1 4.42Å; V114-F117 HydrophobicContact CG1-CD1 3.95Å; V114-F117 HydrophobicContact CG1-CE1 3.98Å; V114-F117 WeakPolarHBondContact O-CE1 3.37Å; T115-F117 VanDerWaalsContact C-N 3.28Å; T115-F117 PolarHBondContact O-N 2.93Å; F117-P119 WeakPolarHBondContact CD2-O 3.32Å; F117-I122 HydrophobicContact CD1-CD1 3.92Å; F117-I122 HydrophobicContact CD2-CB 4.41Å; F117-I122 HydrophobicContact CD2-CD1 3.85Å; F117-I122 HydrophobicContact CE1-CD1 3.81Å; F117-I122 HydrophobicContact CE2-CB 3.81Å; F117-I122 HydrophobicContact CE2-CD1 3.76Å; F117-I122 HydrophobicContact CE2-CG1 4.42Å; F117-I122 HydrophobicContact CE2-CG2 3.78Å; F117-I122 HydrophobicContact CG-CD1 3.94Å; F117-I122 HydrophobicContact CZ-CB 4.17Å; F117-I122 HydrophobicContact CZ-CD1 3.74Å; F117-I122 HydrophobicContact CZ-CG2 3.72Å; F117-L142 HydrophobicContact CE2-CD1 4.16Å; F117-L142 HydrophobicContact CZ-CD1 3.65Å; F117-T149 CarbonylContact O-C 3.5Å; F117-T149 WeakPolarHBondContact O-CA 2.98Å; F117-F150 VanDerWaalsContact CD1-O 3.22Å; F117-F150 WeakPolarHBondContact CD1-O 3.41Å; F117-F150 HydrophobicContact CD2-CB 4.18Å; F117-F150 HydrophobicContact CE1-CB 4.29Å; F117-F150 WeakPolarHBondContact CE1-O 3.14Å; F117-F150 HydrophobicContact CE2-CB 3.76Å; F117-F150 HydrophobicContact CZ-CB 3.82Å; F117-F150 PolarHBondContact N-O 3.09Å; F117-F150 PolarHBondContact O-N 3.49Å; F117-I152 HydrophobicContact CE1-CG2 4.13Å; F117-I152 HydrophobicContact CZ-CG2 4.11Å; F117-H172 AromaticContact CD2-CD2 3.94Å; F117-H172 AromaticContact CD2-NE2 3.74Å
118Y97.8Very high97.6Very high32 Ų3236.6 Ų36.613%0.12518%0.183CC..BIsolated β-bridgetrans-154.5138171.5-176.4-82.8000110.7R88 R89 V90 W148 F150 H172R88-Y118 HydrophobicContact CB-CD1 3.84Å; R88-Y118 HydrophobicContact CB-CE1 3.73Å; R88-Y118 HydrophobicContact CG-CD1 3.76Å; R88-Y118 HydrophobicContact CG-CE1 4.11Å; R88-Y118 HydrophobicContact CG-CG 4.5Å; R88-Y118 VanDerWaalsContact O-CD1 3.32Å; R88-Y118 WeakPolarHBondContact O-CD1 3.35Å; R89-Y118 CarbonylContact C-O 3.5Å; R89-Y118 WeakPolarHBondContact CA-O 3.42Å; V90-Y118 PolarHBondContact N-O 3.26Å; V90-Y118 PolarHBondContact O-N 2.89Å; V90-Y118 VanDerWaalsContact O-N 3.14Å; Y118-W148 WeakPolarHBondContact CB-O 3.33Å; Y118-W148 WeakPolarHBondContact CD2-O 3.39Å; Y118-W148 HydrophobicContact CE2-CE3 4.15Å; Y118-F150 HydrophobicContact CD2-CD2 4.11Å; Y118-F150 AromaticContact CD2-CE2 3.64Å; Y118-F150 HydrophobicContact CD2-CE2 3.64Å; Y118-F150 AromaticContact CE2-CE2 3.98Å; Y118-F150 HydrophobicContact CE2-CE2 3.98Å; Y118-H172 VanDerWaalsContact C-CE1 3.42Å; Y118-H172 PolarHBondContact O-CE1 3.41Å
119P97Very high97.8Very high25 Ų2539.9 Ų39.916%0.16220%0.2CC..SBendcis-76-179.56.633.2-39.2000113.7F117 H121 H172F117-P119 WeakPolarHBondContact CD2-O 3.32Å; P119-H121 PolarHBondContact O-N 2.84Å; P119-H172 PolarHBondContact O-NE2 2.93Å
120S96.9Very high97.8Very high54 Ų5444.2 Ų44.238%0.37822%0.223SC..SBendtrans-65.3-21.5-17848.90000115.4I122S120-I122 PolarHBondContact O-N 2.61Å
121H96.1Very high97.8Very high137 Ų13751.1 Ų51.163%0.63426%0.256SS*.  trans-77.5115.3-175.6176-78.3000110.4P119 H172 P173P119-H121 PolarHBondContact O-N 2.84Å; H121-H172 PolarHBondContact O-CD2 3.24Å; H121-P173 WeakPolarHBondContact O-CD 3.43Å
122I98.4Very high97.8Very high31 Ų3154.1 Ų54.116%0.15927%0.269CS..  trans-142.3152.3-177-166158.8000110.4P92 V114 F117 S120 V124 I152 V170 H172P92-I122 HydrophobicContact CB-CD1 4.49Å; P92-I122 HydrophobicContact CG-CD1 4.49Å; V114-I122 HydrophobicContact CG1-CD1 3.49Å; V114-I122 VanDerWaalsContact CG1-CD1 3.49Å; F117-I122 HydrophobicContact CD1-CD1 3.92Å; F117-I122 HydrophobicContact CD2-CB 4.41Å; F117-I122 HydrophobicContact CD2-CD1 3.85Å; F117-I122 HydrophobicContact CE1-CD1 3.81Å; F117-I122 HydrophobicContact CE2-CB 3.81Å; F117-I122 HydrophobicContact CE2-CD1 3.76Å; F117-I122 HydrophobicContact CE2-CG1 4.42Å; F117-I122 HydrophobicContact CE2-CG2 3.78Å; F117-I122 HydrophobicContact CG-CD1 3.94Å; F117-I122 HydrophobicContact CZ-CB 4.17Å; F117-I122 HydrophobicContact CZ-CD1 3.74Å; F117-I122 HydrophobicContact CZ-CG2 3.72Å; S120-I122 PolarHBondContact O-N 2.61Å; I122-V124 HydrophobicContact CD1-CG2 4.46Å; I122-V124 HydrophobicContact CG1-CG2 4.16Å; I122-I152 HydrophobicContact CG2-CG2 4.24Å; I122-V170 HydrophobicContact CD1-CG1 3.8Å; I122-V170 HydrophobicContact CG1-CG1 4.04Å; I122-H172 HydrophobicContact CD1-CB 4.34Å; I122-H172 HydrophobicContact CG1-CB 4.2Å
123K98.5Very high97.7Very high103 Ų10356.8 Ų56.845%0.44828%0.282SS..EExtended strand (participates in β ladder)trans-124.5124.5173.1-166.3-176.4-164.1-175.70109V170 E171K123-V170 WeakPolarHBondContact O-CA 3.46Å; K123-E171 HydrophobicContact CB-CB 4.18Å; K123-E171 PolarHBondContact N-O 3.32Å; K123-E171 PolarHBondContact O-N 3.32Å
124V98.6Very high97.6Very high28 Ų2861 Ų6117%0.1731%0.306CS..EExtended strand (participates in β ladder)trans-126.7130.1-178.7-176.50000107.8V114 I122 I152 V154 H169 V170V114-V124 HydrophobicContact CG2-CG1 4.34Å; V114-V124 HydrophobicContact CG2-CG2 4.01Å; I122-V124 HydrophobicContact CD1-CG2 4.46Å; I122-V124 HydrophobicContact CG1-CG2 4.16Å; V124-I152 HydrophobicContact CG2-CG2 4.35Å; V124-V154 HydrophobicContact CB-CB 4.45Å; V124-V154 HydrophobicContact CB-CG2 3.77Å; V124-V154 HydrophobicContact CG1-CB 3.81Å; V124-V154 HydrophobicContact CG1-CG1 4.23Å; V124-V154 HydrophobicContact CG1-CG2 3.64Å; V124-V154 HydrophobicContact CG2-CG2 4.26Å; V124-H169 WeakPolarHBondContact CA-O 3.48Å; V124-V170 HydrophobicContact CG1-CG2 4.24Å; V124-V170 HydrophobicContact CG2-CG1 4.46Å; V124-V170 HydrophobicContact CG2-CG2 4.28Å
125R98.6Very high97.5Very high48 Ų4864.4 Ų64.418%0.18133%0.334CS..EExtended strand (participates in β ladder)trans-133.7149.4-178.5-68.8179.1-69.3177.31.5110.4F127 E132 H169 E171R125-F127 HydrophobicContact CB-CD2 4.43Å; R125-F127 HydrophobicContact CB-CE2 3.77Å; R125-E132 WeakPolarHBondContact CD-OE1 3.39Å; R125-E132 IonicContact NH1-OE2 2.89Å; R125-H169 HydrophobicContact CB-CB 4.42Å; R125-H169 PolarHBondContact N-O 3Å; R125-H169 PolarHBondContact NH2-CE1 2.94Å; R125-H169 PolarHBondContact NH2-NE2 3.23Å; R125-H169 VanDerWaalsContact NH2-NE2 3.2Å; R125-H169 PolarHBondContact O-N 2.82Å; R125-E171 IonicContact CZ-OE1 3.97Å; R125-E171 VanDerWaalsContact CZ-OE1 3.29Å; R125-E171 IonicContact NE-OE1 2.65Å; R125-E171 IonicContact NH2-OE1 3.29Å; R125-E171 PolarHBondContact NH2-OE1 2.98Å
126W98.6Very high97.3Very high1 Ų164.4 Ų64.40%0.00434%0.34CS..EExtended strand (participates in β ladder)trans-101.5143.8171.4-83.1109.8000110.3I96 L110 C112 E132 E133 V137 V154 L156 T167 C168I96-W126 HydrophobicContact CD1-CH2 3.83Å; I96-W126 HydrophobicContact CD1-CZ3 3.88Å; I96-W126 HydrophobicContact CG1-CH2 4.01Å; I96-W126 HydrophobicContact CG2-CH2 3.9Å; L110-W126 HydrophobicContact CB-CH2 4.22Å; L110-W126 HydrophobicContact CB-CZ2 4.36Å; L110-W126 HydrophobicContact CD2-CH2 3.48Å; L110-W126 VanDerWaalsContact CD2-CH2 3.48Å; L110-W126 HydrophobicContact CD2-CZ2 4.38Å; L110-W126 HydrophobicContact CD2-CZ3 3.58Å; L110-W126 HydrophobicContact CG-CH2 3.63Å; L110-W126 HydrophobicContact CG-CZ2 4.21Å; L110-W126 HydrophobicContact CG-CZ3 4.26Å; C112-W126 HydrophobicContact CB-CH2 4.02Å; C112-W126 HydrophobicContact CB-CZ2 3.46Å; C112-W126 VanDerWaalsContact CB-CZ2 3.46Å; W126-E132 WeakPolarHBondContact O-CA 3.44Å; W126-E133 HydrophobicContact CB-CB 4.22Å; W126-E133 PolarHBondContact O-N 2.85Å; W126-V137 HydrophobicContact CB-CG2 4.26Å; W126-V137 HydrophobicContact CG-CG2 4.49Å; W126-V154 PolarHBondContact NE1-O 2.85Å; W126-V154 VanDerWaalsContact NE1-O 3.09Å; W126-L156 HydrophobicContact CB-CD2 4.21Å; W126-L156 HydrophobicContact CD2-CB 4.01Å; W126-L156 HydrophobicContact CD2-CD2 4.14Å; W126-L156 HydrophobicContact CE3-CD2 4.26Å; W126-L156 HydrophobicContact CG-CB 3.93Å; W126-L156 HydrophobicContact CG-CD2 4.14Å; W126-L156 HydrophobicContact CG-CG 4.49Å; W126-L156 HydrophobicContact CZ2-CB 4.5Å; W126-T167 CarbonylContact C-O 3.58Å; W126-T167 WeakPolarHBondContact CA-O 3.4Å; W126-C168 HydrophobicContact CE3-CB 4.33Å; W126-C168 HydrophobicContact CH2-CB 4.1Å; W126-C168 HydrophobicContact CZ2-CB 4.49Å; W126-C168 HydrophobicContact CZ3-CB 4.01Å
127F98.4Very high97.3Very high33 Ų3363.5 Ų63.515%0.14534%0.337CS..EExtended strand (participates in β ladder)trans-129.1147.1169.6-66.3-105000108.9R125 Q131 E132 Y166 T167 H169R125-F127 HydrophobicContact CB-CD2 4.43Å; R125-F127 HydrophobicContact CB-CE2 3.77Å; F127-Q131 CarbonylContact C-O 3.5Å; F127-Q131 WeakPolarHBondContact CA-O 3.4Å; F127-E132 HydrophobicContact CD1-CB 3.99Å; F127-E132 HydrophobicContact CE1-CB 3.63Å; F127-E132 HydrophobicContact CE1-CG 4.22Å; F127-E132 HydrophobicContact CE2-CG 4.49Å; F127-E132 HydrophobicContact CZ-CB 4.03Å; F127-E132 HydrophobicContact CZ-CG 4.1Å; F127-Y166 CarbonylContact O-C 3.6Å; F127-Y166 WeakPolarHBondContact O-CA 3.13Å; F127-T167 PolarHBondContact N-O 2.03Å; F127-T167 PolarHBondContact O-N 2.89Å; F127-H169 HydrophobicContact CD2-CB 3.89Å; F127-H169 HydrophobicContact CE2-CB 3.62Å; F127-H169 AromaticContact CE2-ND1 3.91Å
128R97.2Very high97.3Very high63 Ų6367.3 Ų67.324%0.23836%0.36CS..EExtended strand (participates in β ladder)trans-126.2121.1168.5180-175.9177.5176.72.7107.8D130 Q131 E133 D164 V165 Y166R128-D130 VanDerWaalsContact C-N 3.26Å; R128-D130 PolarHBondContact O-N 3.44Å; R128-Q131 PolarHBondContact N-O 3.25Å; R128-Q131 PolarHBondContact O-N 2.79Å; R128-E133 HydrophobicContact CB-CG 3.59Å; R128-D164 IonicContact CZ-OD1 3.32Å; R128-D164 IonicContact CZ-OD2 3.41Å; R128-D164 IonicContact NE-OD1 2.93Å; R128-D164 PolarHBondContact NE-OD1 2.94Å; R128-D164 IonicContact NE-OD2 3.51Å; R128-D164 IonicContact NH2-OD1 2.86Å; R128-D164 PolarHBondContact NH2-OD1 3.44Å; R128-D164 IonicContact NH2-OD2 2.78Å; R128-D164 PolarHBondContact NH2-OD2 2.96Å; R128-V165 WeakPolarHBondContact CA-O 3.46Å; R128-Y166 HydrophobicContact CB-CD1 4.21Å; R128-Y166 HydrophobicContact CB-CE1 4.2Å; R128-Y166 HydrophobicContact CG-CD1 4.24Å; R128-Y166 HydrophobicContact CG-CE1 3.89Å
129N96.1Very high97.3Very high77 Ų7769.1 Ų69.141%0.41238%0.378SS..THydrogen-bonded Turntrans49.149.2-178.5-52.7-35.8000111.8Q131 D164 V165N129-Q131 PolarHBondContact O-N 3.36Å; N129-Q131 VanDerWaalsContact O-N 3.14Å; N129-D164 PolarHBondContact ND2-OD1 3.41Å; N129-V165 PolarHBondContact N-O 2.91Å; N129-V165 PolarHBondContact OD1-N 3.2Å
130D95Very high97.3Very high143 Ų14369.5 Ų69.577%0.76538%0.38SS*.THydrogen-bonded Turntrans64.45.8-177.4-56.8-49.8000116.9R128R128-D130 VanDerWaalsContact C-N 3.26Å; R128-D130 PolarHBondContact O-N 3.44Å
131Q97.2Very high97.3Very high146 Ų14672.3 Ų72.368%0.68240%0.397SS*.EExtended strand (participates in β ladder)trans-100.8130174.2-60.8-168.8-5.600110.7F127 R128 N129 E133F127-Q131 CarbonylContact C-O 3.5Å; F127-Q131 WeakPolarHBondContact CA-O 3.4Å; R128-Q131 PolarHBondContact N-O 3.25Å; R128-Q131 PolarHBondContact O-N 2.79Å; N129-Q131 PolarHBondContact O-N 3.36Å; N129-Q131 VanDerWaalsContact O-N 3.14Å; Q131-E133 PolarHBondContact O-N 3.48Å
132E97.9Very high97.4Very high96 Ų9669.2 Ų69.245%0.44938%0.384SS..EExtended strand (participates in β ladder)trans-65.5122.1-179.6-171.6170.8165.600110.4R125 W126 F127 T134R125-E132 WeakPolarHBondContact CD-OE1 3.39Å; R125-E132 IonicContact NH1-OE2 2.89Å; W126-E132 WeakPolarHBondContact O-CA 3.44Å; F127-E132 HydrophobicContact CD1-CB 3.99Å; F127-E132 HydrophobicContact CE1-CB 3.63Å; F127-E132 HydrophobicContact CE1-CG 4.22Å; F127-E132 HydrophobicContact CE2-CG 4.49Å; F127-E132 HydrophobicContact CZ-CB 4.03Å; F127-E132 HydrophobicContact CZ-CG 4.1Å; E132-T134 HydrophobicContact CG-CG2 4.36Å
133E97Very high97.4Very high56 Ų5670.9 Ų70.926%0.26239%0.393SS..EExtended strand (participates in β ladder)trans-96.7123.5177.5-71.8-68.9-177.500109.6W126 R128 Q131 V137 L156W126-E133 HydrophobicContact CB-CB 4.22Å; W126-E133 PolarHBondContact O-N 2.85Å; R128-E133 HydrophobicContact CB-CG 3.59Å; Q131-E133 PolarHBondContact O-N 3.48Å; E133-V137 WeakPolarHBondContact O-CG2 3.47Å; E133-L156 HydrophobicContact CB-CD1 4.16Å
134T96.9Very high97.3Very high109 Ų10974.1 Ų74.167%0.66940%0.402SS*.  trans-121.2-23.5177.456.50000112.3E132E132-T134 HydrophobicContact CG-CG2 4.36Å
135A96.4Very high97.3Very high72 Ų7275.4 Ų75.460%0.59541%0.408SS*.THydrogen-bonded Turntrans-73.1137.4173.900000110V137A135-V137 PolarHBondContact O-N 3.48Å
136G94.6Very high97.1Very high30 Ų3076.3 Ų76.331%0.30943%0.433SS..THydrogen-bonded Turntrans70.97.8179.700000114.7E157G136-E157 PolarHBondContact O-N 2.96Å
137V97.9Very high97Very high49 Ų4980.6 Ų80.630%0.29746%0.455SS..EExtended strand (participates in β ladder)trans-86126175.4179.40000110.4W126 E133 A135 V154 M155 L156W126-V137 HydrophobicContact CB-CG2 4.26Å; W126-V137 HydrophobicContact CG-CG2 4.49Å; E133-V137 WeakPolarHBondContact O-CG2 3.47Å; A135-V137 PolarHBondContact O-N 3.48Å; V137-V154 HydrophobicContact CG1-CG1 3.66Å; V137-M155 CarbonylContact C-O 3.57Å; V137-M155 VanDerWaalsContact CA-O 3.29Å; V137-M155 WeakPolarHBondContact CA-O 3.23Å; V137-L156 HydrophobicContact CG2-CD1 3.68Å
138V97.5Very high96.9Very high80 Ų8085.8 Ų85.849%0.48547%0.474SS..EExtended strand (participates in β ladder)trans-132.5138.8178.3-173.90000109.5M155V138-M155 HydrophobicContact CB-CE 4.45Å; V138-M155 HydrophobicContact CG1-CE 4.34Å; V138-M155 PolarHBondContact N-O 3.37Å; V138-M155 WeakPolarHBondContact O-CE 3.44Å; V138-M155 PolarHBondContact O-N 3.24Å
139S97.6Very high96.9Very high70 Ų7083.3 Ų83.349%0.4947%0.466SS..EExtended strand (participates in β ladder)trans-119.4149.6176.367.50000112.3L153S139-L153 CarbonylContact C-O 3.52Å; S139-L153 VanDerWaalsContact CA-O 3.27Å; S139-L153 WeakPolarHBondContact CA-O 3.3Å
140T97.3Very high97Very high33 Ų3380 Ų8020%0.20245%0.448CS..PPolyproline II helixtrans-66.9160.9164.262.20000110.3L153 M155T140-L153 HydrophobicContact CG2-CB 3.86Å; T140-L153 HydrophobicContact CG2-CD1 4.24Å; T140-L153 HydrophobicContact CG2-CG 4.26Å; T140-L153 PolarHBondContact N-O 3.27Å; T140-L153 PolarHBondContact OG1-N 2.97Å; T140-L153 VanDerWaalsContact OG1-N 3.14Å; T140-M155 HydrophobicContact CG2-CE 4.22Å
141P97.8Very high97.2Very high113 Ų11376.1 Ų76.173%0.73443%0.425SS*.PPolyproline II helixtrans-54.1153157-21.533.4000110.2I143P141-I143 PolarHBondContact O-N 3.43Å
142L97.6Very high97.2Very high72 Ų7270.1 Ų70.138%0.37740%0.398SS..PPolyproline II helixtrans-63.9127.8172.2-173.373000109.9F117 F150 I152F117-L142 HydrophobicContact CE2-CD1 4.16Å; F117-L142 HydrophobicContact CZ-CD1 3.65Å; L142-F150 HydrophobicContact CD1-CB 4.02Å; L142-F150 HydrophobicContact CD1-CD1 4.48Å; L142-F150 HydrophobicContact CD2-CD1 3.61Å; L142-F150 HydrophobicContact CD2-CE1 4.06Å; L142-F150 HydrophobicContact CD2-CG 4.18Å; L142-F150 HydrophobicContact CG-CB 4.34Å; L142-F150 HydrophobicContact CG-CD1 3.89Å; L142-F150 HydrophobicContact CG-CG 4.44Å; L142-I152 HydrophobicContact CD1-CB 4.21Å
143I97.9Very high97.3Very high66 Ų6668.2 Ų68.234%0.33839%0.39SS..EExtended strand (participates in β ladder)trans-100.2133.8-178.3-57.9168000108.7P141 F150 Q151P141-I143 PolarHBondContact O-N 3.43Å; I143-F150 VanDerWaalsContact O-CA 3.24Å; I143-F150 WeakPolarHBondContact O-CA 3.33Å; I143-F150 WeakPolarHBondContact O-CD1 3.38Å; I143-Q151 HydrophobicContact CB-CG 3.57Å; I143-Q151 HydrophobicContact CD1-CG 4.08Å; I143-Q151 HydrophobicContact CG1-CG 4.35Å; I143-Q151 HydrophobicContact CG2-CG 3.87Å; I143-Q151 PolarHBondContact N-O 3Å; I143-Q151 PolarHBondContact O-N 2.92Å
144R97.8Very high97.3Very high172 Ų17265.9 Ų65.965%0.64938%0.38SS*.EExtended strand (participates in β ladder)trans-101.1120.9174.1-178.2-173.3-65.6-89.9-0.8109G146 F150R144-G146 PolarHBondContact O-N 2.82Å; R144-F150 HydrophobicContact CB-CD1 4.18Å; R144-F150 HydrophobicContact CB-CE1 3.99Å; R144-F150 HydrophobicContact CG-CE1 4.06Å
145N97Very high97.4Very high55 Ų5562.7 Ų62.729%0.29436%0.358SS..  trans-79-19.1-172.9-66.4-16.3000113.7D147 T149 Q151N145-D147 VanDerWaalsContact CB-OD1 3.28Å; N145-D147 WeakPolarHBondContact CB-OD1 3.21Å; N145-T149 PolarHBondContact N-O 2.82Å; N145-T149 VanDerWaalsContact N-O 3.12Å; N145-T149 PolarHBondContact ND2-OG1 3.04Å; N145-Q151 PolarHBondContact OD1-OE1 3.31Å
146G96.1Very high97.5Very high67 Ų6759.4 Ų59.469%0.69133%0.33SS*.SBendtrans91.5-3.1-179.200000114.4R144R144-G146 PolarHBondContact O-N 2.82Å
147D96.1Very high97.6Very high90 Ų9063.1 Ų63.148%0.48134%0.34SS..SBendtrans-113.921.4-179.366.8-8.1000112.9N145 T149N145-D147 VanDerWaalsContact CB-OD1 3.28Å; N145-D147 WeakPolarHBondContact CB-OD1 3.21Å; D147-T149 VanDerWaalsContact C-N 3.32Å; D147-T149 WeakPolarHBondContact OD1-CB 3.49Å; D147-T149 PolarHBondContact OD1-N 3.29Å; D147-T149 PolarHBondContact OD1-OG1 3.5Å; D147-T149 PolarHBondContact OD2-OG1 3.38Å
148W94.9Very high97.4Very high142 Ų14261.3 Ų61.354%0.53833%0.328SS..SBendtrans69.320.5-172.4-58.777000115.4I85 Y118I85-W148 HydrophobicContact CD1-CH2 4.21Å; I85-W148 HydrophobicContact CG2-CE3 4.48Å; I85-W148 HydrophobicContact CG2-CH2 4.02Å; I85-W148 HydrophobicContact CG2-CZ3 3.55Å; Y118-W148 WeakPolarHBondContact CB-O 3.33Å; Y118-W148 WeakPolarHBondContact CD2-O 3.39Å; Y118-W148 HydrophobicContact CE2-CE3 4.15Å
149T98Very high97.2Very high11 Ų1160.3 Ų60.37%0.06732%0.322CS..  trans-117.4165.5167.9710000112.3F117 N145 D147F117-T149 CarbonylContact O-C 3.5Å; F117-T149 WeakPolarHBondContact O-CA 2.98Å; N145-T149 PolarHBondContact N-O 2.82Å; N145-T149 VanDerWaalsContact N-O 3.12Å; N145-T149 PolarHBondContact ND2-OG1 3.04Å; D147-T149 VanDerWaalsContact C-N 3.32Å; D147-T149 WeakPolarHBondContact OD1-CB 3.49Å; D147-T149 PolarHBondContact OD1-N 3.29Å; D147-T149 PolarHBondContact OD1-OG1 3.5Å; D147-T149 PolarHBondContact OD2-OG1 3.38Å
150F98.6Very high96.9Very high7 Ų757 Ų573%0.03130%0.299CS..EExtended strand (participates in β ladder)trans-127.2160.8177.5-63.1-88.2000110.8D116 F117 Y118 L142 I143 R144D116-F150 PolarHBondContact N-O 3.29Å; D116-F150 VanDerWaalsContact N-O 3.09Å; F117-F150 VanDerWaalsContact CD1-O 3.22Å; F117-F150 WeakPolarHBondContact CD1-O 3.41Å; F117-F150 HydrophobicContact CD2-CB 4.18Å; F117-F150 HydrophobicContact CE1-CB 4.29Å; F117-F150 WeakPolarHBondContact CE1-O 3.14Å; F117-F150 HydrophobicContact CE2-CB 3.76Å; F117-F150 HydrophobicContact CZ-CB 3.82Å; F117-F150 PolarHBondContact N-O 3.09Å; F117-F150 PolarHBondContact O-N 3.49Å; Y118-F150 HydrophobicContact CD2-CD2 4.11Å; Y118-F150 AromaticContact CD2-CE2 3.64Å; Y118-F150 HydrophobicContact CD2-CE2 3.64Å; Y118-F150 AromaticContact CE2-CE2 3.98Å; Y118-F150 HydrophobicContact CE2-CE2 3.98Å; L142-F150 HydrophobicContact CD1-CB 4.02Å; L142-F150 HydrophobicContact CD1-CD1 4.48Å; L142-F150 HydrophobicContact CD2-CD1 3.61Å; L142-F150 HydrophobicContact CD2-CE1 4.06Å; L142-F150 HydrophobicContact CD2-CG 4.18Å; L142-F150 HydrophobicContact CG-CB 4.34Å; L142-F150 HydrophobicContact CG-CD1 3.89Å; L142-F150 HydrophobicContact CG-CG 4.44Å; I143-F150 VanDerWaalsContact O-CA 3.24Å; I143-F150 WeakPolarHBondContact O-CA 3.33Å; I143-F150 WeakPolarHBondContact O-CD1 3.38Å; R144-F150 HydrophobicContact CB-CD1 4.18Å; R144-F150 HydrophobicContact CB-CE1 3.99Å; R144-F150 HydrophobicContact CG-CE1 4.06Å
151Q98.5Very high96.6Very high62 Ų6260.6 Ų60.629%0.2931%0.314SS..EExtended strand (participates in β ladder)trans-143.5153171.265.2-174.734.500111.2V114 T115 I143 N145V114-Q151 CarbonylContact O-C 3.5Å; V114-Q151 VanDerWaalsContact O-CA 3.24Å; V114-Q151 WeakPolarHBondContact O-CA 3.36Å; T115-Q151 HydrophobicContact CG2-CB 4.11Å; I143-Q151 HydrophobicContact CB-CG 3.57Å; I143-Q151 HydrophobicContact CD1-CG 4.08Å; I143-Q151 HydrophobicContact CG1-CG 4.35Å; I143-Q151 HydrophobicContact CG2-CG 3.87Å; I143-Q151 PolarHBondContact N-O 3Å; I143-Q151 PolarHBondContact O-N 2.92Å; N145-Q151 PolarHBondContact OD1-OE1 3.31Å
152I98.6Very high96.3Very high21 Ų2166 Ų6611%0.10832%0.32CS..EExtended strand (participates in β ladder)trans-146.8143175.2-170168.5000109.4V114 F117 I122 V124 L142 V154V114-I152 HydrophobicContact CB-CG2 3.98Å; V114-I152 PolarHBondContact N-O 3.47Å; V114-I152 PolarHBondContact O-N 3.37Å; F117-I152 HydrophobicContact CE1-CG2 4.13Å; F117-I152 HydrophobicContact CZ-CG2 4.11Å; I122-I152 HydrophobicContact CG2-CG2 4.24Å; V124-I152 HydrophobicContact CG2-CG2 4.35Å; L142-I152 HydrophobicContact CD1-CB 4.21Å; I152-V154 HydrophobicContact CD1-CG2 4.46Å; I152-V154 HydrophobicContact CG1-CG2 4.32Å
153L98.4Very high96.1Very high56 Ų5665.7 Ų65.729%0.29333%0.334SS..EExtended strand (participates in β ladder)trans-109.1128.8171.2-52.2179000108.5I111 S113 S139 T140I111-L153 HydrophobicContact CG2-CB 4.28Å; I111-L153 HydrophobicContact CG2-CD2 4.46Å; S113-L153 WeakPolarHBondContact OG-CD2 3.38Å; S139-L153 CarbonylContact C-O 3.52Å; S139-L153 VanDerWaalsContact CA-O 3.27Å; S139-L153 WeakPolarHBondContact CA-O 3.3Å; T140-L153 HydrophobicContact CG2-CB 3.86Å; T140-L153 HydrophobicContact CG2-CD1 4.24Å; T140-L153 HydrophobicContact CG2-CG 4.26Å; T140-L153 PolarHBondContact N-O 3.27Å; T140-L153 PolarHBondContact OG1-N 2.97Å; T140-L153 VanDerWaalsContact OG1-N 3.14Å
154V98.4Very high95.9Very high7 Ų763.7 Ų63.74%0.04232%0.324CS..EExtended strand (participates in β ladder)trans-119.5113.5175.1-174.30000108.9C112 V124 W126 V137 I152C112-V154 PolarHBondContact N-O 3.22Å; C112-V154 PolarHBondContact O-N 2.62Å; V124-V154 HydrophobicContact CB-CB 4.45Å; V124-V154 HydrophobicContact CB-CG2 3.77Å; V124-V154 HydrophobicContact CG1-CB 3.81Å; V124-V154 HydrophobicContact CG1-CG1 4.23Å; V124-V154 HydrophobicContact CG1-CG2 3.64Å; V124-V154 HydrophobicContact CG2-CG2 4.26Å; W126-V154 PolarHBondContact NE1-O 2.85Å; W126-V154 VanDerWaalsContact NE1-O 3.09Å; V137-V154 HydrophobicContact CG1-CG1 3.66Å; I152-V154 HydrophobicContact CD1-CG2 4.46Å; I152-V154 HydrophobicContact CG1-CG2 4.32Å
155M98.3Very high95.8Very high41 Ų4158.3 Ų58.320%0.20231%0.309CS..EExtended strand (participates in β ladder)trans-104141-171.9-62.1157.5-75.600109.5L110 I111 V137 V138 T140L110-M155 CarbonylContact O-C 3.54Å; L110-M155 VanDerWaalsContact O-CA 3.25Å; L110-M155 WeakPolarHBondContact O-CA 3.37Å; I111-M155 HydrophobicContact CB-CG 4.48Å; I111-M155 HydrophobicContact CG1-CG 4.15Å; I111-M155 HydrophobicContact CG2-CG 4.11Å; V137-M155 CarbonylContact C-O 3.57Å; V137-M155 VanDerWaalsContact CA-O 3.29Å; V137-M155 WeakPolarHBondContact CA-O 3.23Å; V138-M155 HydrophobicContact CB-CE 4.45Å; V138-M155 HydrophobicContact CG1-CE 4.34Å; V138-M155 PolarHBondContact N-O 3.37Å; V138-M155 WeakPolarHBondContact O-CE 3.44Å; V138-M155 PolarHBondContact O-N 3.24Å; T140-M155 HydrophobicContact CG2-CE 4.22Å
156L98.3Very high95.9Very high4 Ų455.8 Ų55.82%0.02130%0.296CS..EExtended strand (participates in β ladder)trans-118.6123.6173.2174.367.1000109.4L109 L110 W126 E133 V137 M158 Y166L109-L156 WeakPolarHBondContact CA-O 3.47Å; L110-L156 PolarHBondContact N-O 3.18Å; L110-L156 PolarHBondContact O-N 3.25Å; W126-L156 HydrophobicContact CB-CD2 4.21Å; W126-L156 HydrophobicContact CD2-CB 4.01Å; W126-L156 HydrophobicContact CD2-CD2 4.14Å; W126-L156 HydrophobicContact CE3-CD2 4.26Å; W126-L156 HydrophobicContact CG-CB 3.93Å; W126-L156 HydrophobicContact CG-CD2 4.14Å; W126-L156 HydrophobicContact CG-CG 4.49Å; W126-L156 HydrophobicContact CZ2-CB 4.5Å; E133-L156 HydrophobicContact CB-CD1 4.16Å; V137-L156 HydrophobicContact CG2-CD1 3.68Å; L156-M158 PolarHBondContact O-N 3.37Å; L156-Y166 HydrophobicContact CD2-CD1 3.64Å; L156-Y166 HydrophobicContact CD2-CE1 3.93Å
157E97.1Very high96Very high108 Ų10853.1 Ų53.151%0.50527%0.266SS..EExtended strand (participates in β ladder)trans-67.6123.8164.4-74177.6-168.900110.4L109 G136L109-E157 HydrophobicContact CD2-CB 4.17Å; L109-E157 HydrophobicContact CD2-CG 3.37Å; G136-E157 PolarHBondContact O-N 2.96Å
158M93.1Very high96.1Very high10 Ų1048.8 Ų48.85%0.04924%0.243CC..EExtended strand (participates in β ladder)trans-145.9160.9-177.863.579.8157.200112.5H107 N108 L110 L156 P160 Y166 W183H107-M158 WeakPolarHBondContact CA-O 3.48Å; N108-M158 HydrophobicContact CB-CE 4.13Å; N108-M158 HydrophobicContact CB-SD 4.06Å; N108-M158 PolarHBondContact N-O 3.21Å; N108-M158 PolarHBondContact O-N 3.27Å; N108-M158 VanDerWaalsContact O-O 3.08Å; L110-M158 HydrophobicContact CB-CE 4.22Å; L110-M158 HydrophobicContact CB-CG 4.24Å; L110-M158 HydrophobicContact CD1-CE 4.29Å; L156-M158 PolarHBondContact O-N 3.37Å; M158-P160 HydrophobicContact CE-CB 4.13Å; M158-P160 HydrophobicContact CE-CG 4.13Å; M158-P160 HydrophobicContact SD-CB 3.77Å; M158-P160 WeakPolarHBondContact SD-CD 3.2Å; M158-P160 HydrophobicContact SD-CG 3.74Å; M158-Y166 HydrophobicContact CB-CE1 3.94Å; M158-Y166 HydrophobicContact CG-CE1 4.41Å; M158-W183 HydrophobicContact CE-CH2 3.7Å; M158-W183 HydrophobicContact CE-CZ2 4.42Å; M158-W183 HydrophobicContact CE-CZ3 3.78Å
159T94.1Very high96.3Very high59 Ų5943.6 Ų43.636%0.36223%0.225SC..  trans-130.898169.7-62.30000105.8Q161T159-Q161 PolarHBondContact O-N 2.91Å
160P90.6Very high96.3Very high2 Ų243.1 Ų43.11%0.01322%0.222CC..  trans-71.2130.6-163.127.8-26.8000109.5E102 N105 H106 M158 W183E102-P160 HydrophobicContact CG-CG 4.26Å; N105-P160 PolarHBondContact N-O 2.97Å; H106-P160 WeakPolarHBondContact O-CD 3.32Å; M158-P160 HydrophobicContact CE-CB 4.13Å; M158-P160 HydrophobicContact CE-CG 4.13Å; M158-P160 HydrophobicContact SD-CB 3.77Å; M158-P160 WeakPolarHBondContact SD-CD 3.2Å; M158-P160 HydrophobicContact SD-CG 3.74Å; P160-W183 HydrophobicContact CB-CH2 4.31Å; P160-W183 HydrophobicContact CB-CZ3 4.42Å
161Q92.2Very high96.3Very high108 Ų10845.9 Ų45.951%0.50524%0.235SC..  trans-107152.2171.8-59.9-174.78.500109.4T159 G163 D164T159-Q161 PolarHBondContact O-N 2.91Å; Q161-G163 PolarHBondContact O-N 3.3Å; Q161-D164 WeakPolarHBondContact CB-OD2 3.14Å; Q161-D164 PolarHBondContact N-OD2 3.45Å; Q161-D164 WeakPolarHBondContact O-CB 3.4Å; Q161-D164 PolarHBondContact O-N 3.45Å; Q161-D164 VanDerWaalsContact O-N 3.12Å
162R91.8Very high96.3Very high227 Ų22743.5 Ų43.586%0.85722%0.224SC*.THydrogen-bonded Turntrans-60.1124.2176.8176.6-179.8-85.1-159.9-5.4109.4
163G92Very high96.2Very high65 Ų6545.7 Ų45.767%0.6724%0.239SC*.THydrogen-bonded Turntrans93.4-2.1178.100000114.5Q161Q161-G163 PolarHBondContact O-N 3.3Å
164D94.3Very high96.2Very high24 Ų2443.9 Ų43.913%0.12823%0.231CC..  trans-64.4139.2164.8-73.9-35.7000110.2R128 N129 Q161 Y166R128-D164 IonicContact CZ-OD1 3.32Å; R128-D164 IonicContact CZ-OD2 3.41Å; R128-D164 IonicContact NE-OD1 2.93Å; R128-D164 PolarHBondContact NE-OD1 2.94Å; R128-D164 IonicContact NE-OD2 3.51Å; R128-D164 IonicContact NH2-OD1 2.86Å; R128-D164 PolarHBondContact NH2-OD1 3.44Å; R128-D164 IonicContact NH2-OD2 2.78Å; R128-D164 PolarHBondContact NH2-OD2 2.96Å; N129-D164 PolarHBondContact ND2-OD1 3.41Å; Q161-D164 WeakPolarHBondContact CB-OD2 3.14Å; Q161-D164 PolarHBondContact N-OD2 3.45Å; Q161-D164 WeakPolarHBondContact O-CB 3.4Å; Q161-D164 PolarHBondContact O-N 3.45Å; Q161-D164 VanDerWaalsContact O-N 3.12Å; D164-Y166 HydrophobicContact CB-CD2 4.13Å; D164-Y166 HydrophobicContact CB-CE2 3.42Å; D164-Y166 VanDerWaalsContact CB-CE2 3.42Å; D164-Y166 PolarHBondContact OD2-OH 3.25Å; D164-Y166 VanDerWaalsContact OD2-OH 3.04Å
165V96.6Very high96.2Very high58 Ų5845 Ų4535%0.35224%0.237SC..  trans-119.2125.2167.1-179.70000107.8R128 N129 E182R128-V165 WeakPolarHBondContact CA-O 3.46Å; N129-V165 PolarHBondContact N-O 2.91Å; N129-V165 PolarHBondContact OD1-N 3.2Å; V165-E182 HydrophobicContact CG1-CB 4.32Å; V165-E182 HydrophobicContact CG1-CG 4.26Å
166Y97.3Very high96.1Very high2 Ų252.8 Ų52.81%0.00827%0.273CS..EExtended strand (participates in β ladder)trans-108.1130.9177.9-64.5-93.9000109.9L110 F127 R128 L156 M158 D164 E182 W183L110-Y166 VanDerWaalsContact CD2-CB 3.49Å; L110-Y166 HydrophobicContact CD2-CD1 4.37Å; L110-Y166 HydrophobicContact CD2-CD2 4.44Å; L110-Y166 HydrophobicContact CD2-CG 3.87Å; F127-Y166 CarbonylContact O-C 3.6Å; F127-Y166 WeakPolarHBondContact O-CA 3.13Å; R128-Y166 HydrophobicContact CB-CD1 4.21Å; R128-Y166 HydrophobicContact CB-CE1 4.2Å; R128-Y166 HydrophobicContact CG-CD1 4.24Å; R128-Y166 HydrophobicContact CG-CE1 3.89Å; L156-Y166 HydrophobicContact CD2-CD1 3.64Å; L156-Y166 HydrophobicContact CD2-CE1 3.93Å; M158-Y166 HydrophobicContact CB-CE1 3.94Å; M158-Y166 HydrophobicContact CG-CE1 4.41Å; D164-Y166 HydrophobicContact CB-CD2 4.13Å; D164-Y166 HydrophobicContact CB-CE2 3.42Å; D164-Y166 VanDerWaalsContact CB-CE2 3.42Å; D164-Y166 PolarHBondContact OD2-OH 3.25Å; D164-Y166 VanDerWaalsContact OD2-OH 3.04Å; Y166-E182 CarbonylContact O-C 3.55Å; Y166-E182 WeakPolarHBondContact O-CA 3.45Å; Y166-W183 AromaticContact CD2-CE3 3.63Å; Y166-W183 HydrophobicContact CD2-CE3 3.63Å; Y166-W183 AromaticContact CD2-CZ3 3.74Å; Y166-W183 HydrophobicContact CD2-CZ3 3.74Å; Y166-W183 HydrophobicContact CE2-CE3 4.35Å; Y166-W183 AromaticContact CE2-CZ3 4Å; Y166-W183 HydrophobicContact CE2-CZ3 4Å; Y166-W183 HydrophobicContact CG-CE3 4.33Å; Y166-W183 PolarHBondContact N-O 2.96Å; Y166-W183 PolarHBondContact O-N 3.08Å
167T98.4Very high96.1Very high11 Ų1156.5 Ų56.57%0.06730%0.299CS..EExtended strand (participates in β ladder)trans-122.3125.5-177.4-43.90000110.6W126 F127 T180 V181 E182W126-T167 CarbonylContact C-O 3.58Å; W126-T167 WeakPolarHBondContact CA-O 3.4Å; F127-T167 PolarHBondContact N-O 2.03Å; F127-T167 PolarHBondContact O-N 2.89Å; T167-T180 HydrophobicContact CG2-CG2 4.22Å; T167-V181 CarbonylContact C-O 3.58Å; T167-V181 VanDerWaalsContact CA-O 3.31Å; T167-V181 WeakPolarHBondContact CA-O 3.48Å; T167-E182 HydrophobicContact CG2-CG 4.12Å
168C98.6Very high96.1Very high0 Ų054.3 Ų54.30%029%0.294CS..EExtended strand (participates in β ladder)trans-90.1119.8164.9-175.20000109.6I96 C112 W126 T180 V181I96-C168 HydrophobicContact CD1-CB 3.67Å; I96-C168 HydrophobicContact CG1-CB 4Å; C112-C168 HydrophobicContact CB-CB 3.63Å; C112-C168 WeakPolarHBondContact CB-SG 3.43Å; C112-C168 WeakPolarHBondContact SG-CB 3.31Å; C112-C168 CovalentContact SG-SG 2.02Å; C112-C168 PolarHBondContact SG-SG 2.96Å; W126-C168 HydrophobicContact CE3-CB 4.33Å; W126-C168 HydrophobicContact CH2-CB 4.1Å; W126-C168 HydrophobicContact CZ2-CB 4.49Å; W126-C168 HydrophobicContact CZ3-CB 4.01Å; C168-T180 WeakPolarHBondContact O-CA 3.13Å; C168-V181 PolarHBondContact N-O 3.41Å; C168-V181 PolarHBondContact O-N 3.16Å
169H98.6Very high96.4Very high33 Ų3355.9 Ų55.915%0.15330%0.303CS..EExtended strand (participates in β ladder)trans-108.5120.4-179.5-172.8135.4000109.7V124 R125 F127 E171 P178 I179 T180V124-H169 WeakPolarHBondContact CA-O 3.48Å; R125-H169 HydrophobicContact CB-CB 4.42Å; R125-H169 PolarHBondContact N-O 3Å; R125-H169 PolarHBondContact NH2-CE1 2.94Å; R125-H169 PolarHBondContact NH2-NE2 3.23Å; R125-H169 VanDerWaalsContact NH2-NE2 3.2Å; R125-H169 PolarHBondContact O-N 2.82Å; F127-H169 HydrophobicContact CD2-CB 3.89Å; F127-H169 HydrophobicContact CE2-CB 3.62Å; F127-H169 AromaticContact CE2-ND1 3.91Å; H169-E171 IonicContact NE2-OE1 3.58Å; H169-P178 WeakPolarHBondContact NE2-CB 3.28Å; H169-I179 WeakPolarHBondContact CA-O 3.39Å; H169-T180 HydrophobicContact CB-CG2 4.44Å
170V98.8Very high96.6Very high0 Ų057 Ų570%031%0.31CS..EExtended strand (participates in β ladder)trans-119.3119.1-176.4-178.20000110.9P92 V94 V114 I122 K123 V124 P178 I179P92-V170 HydrophobicContact CG-CG1 4.02Å; V94-V170 HydrophobicContact CG1-CG2 4.04Å; V94-V170 HydrophobicContact CG2-CB 4.17Å; V94-V170 HydrophobicContact CG2-CG1 4.43Å; V94-V170 HydrophobicContact CG2-CG2 3.77Å; V114-V170 HydrophobicContact CG1-CG1 4.12Å; V114-V170 HydrophobicContact CG2-CG2 3.9Å; I122-V170 HydrophobicContact CD1-CG1 3.8Å; I122-V170 HydrophobicContact CG1-CG1 4.04Å; K123-V170 WeakPolarHBondContact O-CA 3.46Å; V124-V170 HydrophobicContact CG1-CG2 4.24Å; V124-V170 HydrophobicContact CG2-CG1 4.46Å; V124-V170 HydrophobicContact CG2-CG2 4.28Å; V170-P178 WeakPolarHBondContact O-CA 3.23Å; V170-P178 WeakPolarHBondContact O-CB 3.38Å; V170-I179 HydrophobicContact CB-CB 4.41Å; V170-I179 PolarHBondContact N-O 2.89Å; V170-I179 PolarHBondContact O-N 3.45Å
171E98.8Very high96.9Very high66 Ų6658.8 Ų58.831%0.30832%0.32SS..EExtended strand (participates in β ladder)trans-105.9131.2169-54171.7-147.400109.5K123 R125 H169 P178K123-E171 HydrophobicContact CB-CB 4.18Å; K123-E171 PolarHBondContact N-O 3.32Å; K123-E171 PolarHBondContact O-N 3.32Å; R125-E171 IonicContact CZ-OE1 3.97Å; R125-E171 VanDerWaalsContact CZ-OE1 3.29Å; R125-E171 IonicContact NE-OE1 2.65Å; R125-E171 IonicContact NH2-OE1 3.29Å; R125-E171 PolarHBondContact NH2-OE1 2.98Å; H169-E171 IonicContact NE2-OE1 3.58Å; E171-P178 HydrophobicContact CG-CB 4.19Å; E171-P178 HydrophobicContact CG-CG 4.09Å
172H98.6Very high97.2Very high12 Ų1260.2 Ų60.26%0.05633%0.327CS..  trans-150.1142.4179.7-178.9-105.8000110.3V90 P92 F117 Y118 P119 H121 I122 S174 L175V90-H172 PolarHBondContact O-CE1 3.09Å; V90-H172 VanDerWaalsContact O-CE1 3.29Å; P92-H172 HydrophobicContact CG-CB 4.36Å; F117-H172 AromaticContact CD2-CD2 3.94Å; F117-H172 AromaticContact CD2-NE2 3.74Å; Y118-H172 VanDerWaalsContact C-CE1 3.42Å; Y118-H172 PolarHBondContact O-CE1 3.41Å; P119-H172 PolarHBondContact O-NE2 2.93Å; H121-H172 PolarHBondContact O-CD2 3.24Å; I122-H172 HydrophobicContact CD1-CB 4.34Å; I122-H172 HydrophobicContact CG1-CB 4.2Å; H172-S174 PolarHBondContact CE1-OG 2.91Å; H172-S174 VanDerWaalsContact ND1-CB 3.32Å; H172-S174 WeakPolarHBondContact ND1-CB 3.44Å; H172-S174 PolarHBondContact ND1-N 3.27Å; H172-S174 PolarHBondContact ND1-OG 2.94Å; H172-S174 PolarHBondContact O-N 3.13Å; H172-L175 HydrophobicContact CB-CD1 3.98Å; H172-L175 HydrophobicContact CB-CG 4.27Å; H172-L175 WeakPolarHBondContact O-CB 3.41Å; H172-L175 PolarHBondContact O-N 2.91Å
173P97.4Very high97.2Very high66 Ų6653.6 Ų53.643%0.42930%0.302SS..THydrogen-bonded Turntrans-63.1-6.6-176.6-25.335.5000116.4H121H121-P173 WeakPolarHBondContact O-CD 3.43Å
174S97.5Very high97.5Very high19 Ų1953.1 Ų53.113%0.13328%0.283CS..THydrogen-bonded Turntrans-82.7-19.3171.370.10000113.1V90 E91 H172V90-S174 PolarHBondContact O-OG 3.23Å; E91-S174 VanDerWaalsContact CA-OG 3.25Å; E91-S174 WeakPolarHBondContact CA-OG 3.33Å; E91-S174 WeakPolarHBondContact CG-OG 3.3Å; H172-S174 PolarHBondContact CE1-OG 2.91Å; H172-S174 VanDerWaalsContact ND1-CB 3.32Å; H172-S174 WeakPolarHBondContact ND1-CB 3.44Å; H172-S174 PolarHBondContact ND1-N 3.27Å; H172-S174 PolarHBondContact ND1-OG 2.94Å; H172-S174 PolarHBondContact O-N 3.13Å
175L98Very high97.7Very high29 Ų2954.6 Ų54.615%0.15229%0.292CS..  trans-94.1140.3-170.4-61.8171.3000110.5E91 P92 H172 S177 I179E91-L175 HydrophobicContact CB-CD2 3.99Å; E91-L175 HydrophobicContact CG-CD2 3.74Å; P92-L175 HydrophobicContact CG-CD1 4.21Å; H172-L175 HydrophobicContact CB-CD1 3.98Å; H172-L175 HydrophobicContact CB-CG 4.27Å; H172-L175 WeakPolarHBondContact O-CB 3.41Å; H172-L175 PolarHBondContact O-N 2.91Å; L175-S177 WeakPolarHBondContact CB-O 3.4Å; L175-I179 HydrophobicContact CD1-CD1 3.95Å; L175-I179 HydrophobicContact CD1-CG1 3.88Å; L175-I179 HydrophobicContact CD2-CD1 3.78Å; L175-I179 HydrophobicContact CD2-CG1 4.04Å
176Q97.1Very high97.7Very high205 Ų20554.4 Ų54.496%0.95829%0.288SS*.SBendtrans-77.2-33.3171.2-64-177.11200112
177S97.7Very high97.8Very high83 Ų8357.5 Ų57.558%0.5831%0.305SS*.SBendtrans-137.1151.2174.158.20000109.7L175L175-S177 WeakPolarHBondContact CB-O 3.4Å
178P97.9Very high97.7Very high62 Ų6260.4 Ų60.440%0.40332%0.32SS..  trans-59.2147.6179.3-2132.7000112.6H169 V170 E171H169-P178 WeakPolarHBondContact NE2-CB 3.28Å; V170-P178 WeakPolarHBondContact O-CA 3.23Å; V170-P178 WeakPolarHBondContact O-CB 3.38Å; E171-P178 HydrophobicContact CG-CB 4.19Å; E171-P178 HydrophobicContact CG-CG 4.09Å
179I98.3Very high97.7Very high43 Ų4364.4 Ų64.422%0.22134%0.341CS..EExtended strand (participates in β ladder)trans-83.9133.7169.3-68.4170.4000108.1P92 V94 H169 V170 L175 V181P92-I179 HydrophobicContact CG-CD1 4.19Å; V94-I179 HydrophobicContact CB-CG2 4Å; V94-I179 HydrophobicContact CG2-CB 4.28Å; V94-I179 HydrophobicContact CG2-CD1 4.13Å; V94-I179 HydrophobicContact CG2-CG2 3.79Å; H169-I179 WeakPolarHBondContact CA-O 3.39Å; V170-I179 HydrophobicContact CB-CB 4.41Å; V170-I179 PolarHBondContact N-O 2.89Å; V170-I179 PolarHBondContact O-N 3.45Å; L175-I179 HydrophobicContact CD1-CD1 3.95Å; L175-I179 HydrophobicContact CD1-CG1 3.88Å; L175-I179 HydrophobicContact CD2-CD1 3.78Å; L175-I179 HydrophobicContact CD2-CG1 4.04Å; I179-V181 HydrophobicContact CG2-CG2 3.9Å
180T97.9Very high97.6Very high83 Ų8366.6 Ų66.651%0.50935%0.354SS..EExtended strand (participates in β ladder)trans-122.4126.9170.547.30000108.1T167 C168 H169T167-T180 HydrophobicContact CG2-CG2 4.22Å; C168-T180 WeakPolarHBondContact O-CA 3.13Å; H169-T180 HydrophobicContact CB-CG2 4.44Å
181V98.1Very high97.5Very high38 Ų3871.8 Ų71.823%0.2338%0.382CS..EExtended strand (participates in β ladder)trans-121.7129.7173.9-177.80000106.8V94 I96 T167 C168 I179V94-V181 HydrophobicContact CB-CG2 3.84Å; V94-V181 HydrophobicContact CG1-CB 4.25Å; V94-V181 HydrophobicContact CG1-CG2 3.62Å; I96-V181 HydrophobicContact CB-CG1 4.49Å; I96-V181 HydrophobicContact CD1-CB 3.95Å; I96-V181 HydrophobicContact CD1-CG1 3.85Å; I96-V181 WeakPolarHBondContact CD1-O 3.43Å; I96-V181 HydrophobicContact CG1-CB 4.22Å; I96-V181 HydrophobicContact CG1-CG1 3.92Å; T167-V181 CarbonylContact C-O 3.58Å; T167-V181 VanDerWaalsContact CA-O 3.31Å; T167-V181 WeakPolarHBondContact CA-O 3.48Å; C168-V181 PolarHBondContact N-O 3.41Å; C168-V181 PolarHBondContact O-N 3.16Å; I179-V181 HydrophobicContact CG2-CG2 3.9Å
182E97.3Very high97.4Very high138 Ų13872.3 Ų72.365%0.64539%0.388SS*.EExtended strand (participates in β ladder)trans-101.2149.6178.8-66.1177.9177.800110.4V165 Y166 T167V165-E182 HydrophobicContact CG1-CB 4.32Å; V165-E182 HydrophobicContact CG1-CG 4.26Å; Y166-E182 CarbonylContact O-C 3.55Å; Y166-E182 WeakPolarHBondContact O-CA 3.45Å; T167-E182 HydrophobicContact CG2-CG 4.12Å
183W93.2Very high97.3Very high89 Ų8977.7 Ų77.734%0.33742%0.418SS..  trans-132.40170.5179.589.9000109.2I96 E102 L110 M158 P160 Y166I96-W183 HydrophobicContact CB-CB 4.22Å; I96-W183 HydrophobicContact CD1-CB 4.21Å; I96-W183 HydrophobicContact CG2-CB 3.6Å; I96-W183 HydrophobicContact CG2-CG 3.88Å; E102-W183 VanDerWaalsContact CD-CH2 3.41Å; E102-W183 HydrophobicContact CG-CH2 3.98Å; E102-W183 HydrophobicContact CG-CZ2 4.08Å; E102-W183 WeakPolarHBondContact OE1-CH2 3.36Å; E102-W183 WeakPolarHBondContact OE2-CZ2 2.82Å; L110-W183 HydrophobicContact CD1-CB 4.47Å; L110-W183 HydrophobicContact CD1-CD2 3.59Å; L110-W183 HydrophobicContact CD1-CE3 4.01Å; L110-W183 HydrophobicContact CD1-CG 3.78Å; L110-W183 HydrophobicContact CD1-CZ2 4.41Å; L110-W183 HydrophobicContact CD2-CB 4.14Å; L110-W183 HydrophobicContact CD2-CD2 4.05Å; L110-W183 HydrophobicContact CD2-CE3 3.86Å; L110-W183 HydrophobicContact CD2-CG 4.18Å; L110-W183 HydrophobicContact CG-CD2 4.5Å; M158-W183 HydrophobicContact CE-CH2 3.7Å; M158-W183 HydrophobicContact CE-CZ2 4.42Å; M158-W183 HydrophobicContact CE-CZ3 3.78Å; P160-W183 HydrophobicContact CB-CH2 4.31Å; P160-W183 HydrophobicContact CB-CZ3 4.42Å; Y166-W183 AromaticContact CD2-CE3 3.63Å; Y166-W183 HydrophobicContact CD2-CE3 3.63Å; Y166-W183 AromaticContact CD2-CZ3 3.74Å; Y166-W183 HydrophobicContact CD2-CZ3 3.74Å; Y166-W183 HydrophobicContact CE2-CE3 4.35Å; Y166-W183 AromaticContact CE2-CZ3 4Å; Y166-W183 HydrophobicContact CE2-CZ3 4Å; Y166-W183 HydrophobicContact CG-CE3 4.33Å; Y166-W183 PolarHBondContact N-O 2.96Å; Y166-W183 PolarHBondContact O-N 3.08Å

Retrieved 183 of 183 residues in 121 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).