A0A5K4FB72_SCHMA Loading...

Ovule protein

AlphaFold DB , UniProt , Accession A0A5K4FB72, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 77 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M27.3Very low35.6Very low243 Ų243117.2 Ų117.2100%1.19759%0.588SS**  0106.30-82173.8-88.100106.3S3M1-S3 PolarHBondContact O-N 2.87Å; M1-S3 VanDerWaalsContact O-N 3.14Å
2R29.6Very low36.3Very low251 Ų251109.3 Ų109.395%0.94755%0.553SS**  trans-63115.6167-84.8179.4166.7170.4-6.1105L4R2-L4 PolarHBondContact O-N 2.97Å
3S31.5Very low36.8Very low72 Ų72109.4 Ų109.450%0.50355%0.554SS.*  trans-50.2132.2174.9-175.90000107.1M1 Q5M1-S3 PolarHBondContact O-N 2.87Å; M1-S3 VanDerWaalsContact O-N 3.14Å; S3-Q5 PolarHBondContact O-N 2.98Å; S3-Q5 VanDerWaalsContact OG-CG 3.28Å; S3-Q5 WeakPolarHBondContact OG-CG 3.05Å; S3-Q5 PolarHBondContact OG-N 2.94Å
4L34Very low37.4Very low181 Ų181110.2 Ų110.295%0.94856%0.559SS**  trans-64.727.8162.4-89.1152.9000110.6R2 N6R2-L4 PolarHBondContact O-N 2.97Å; L4-N6 VanDerWaalsContact C-N 3.3Å; L4-N6 PolarHBondContact O-N 3.22Å
5Q33.9Very low37.8Very low93 Ų93111.9 Ų111.944%0.43556%0.564SS.*  trans-53.4107162.7-96161-19.400104.7S3 P7 S32S3-Q5 PolarHBondContact O-N 2.98Å; S3-Q5 VanDerWaalsContact OG-CG 3.28Å; S3-Q5 WeakPolarHBondContact OG-CG 3.05Å; S3-Q5 PolarHBondContact OG-N 2.94Å; Q5-P7 WeakPolarHBondContact O-CD 3.45Å; Q5-S32 PolarHBondContact NE2-OG 2.96Å
6N36.7Very low38.2Very low82 Ų82105.9 Ų105.944%0.43954%0.536SS..  trans-45.2108.8172.3-173.72.6000106.2L4 H8 N9L4-N6 VanDerWaalsContact C-N 3.3Å; L4-N6 PolarHBondContact O-N 3.22Å; N6-H8 PolarHBondContact O-N 3.47Å; N6-H8 VanDerWaalsContact OD1-CB 3.3Å; N6-H8 WeakPolarHBondContact OD1-CB 3.24Å; N6-H8 PolarHBondContact OD1-CD2 3.23Å; N6-H8 VanDerWaalsContact OD1-CG 3.3Å; N6-H8 PolarHBondContact OD1-N 3.4Å; N6-N9 PolarHBondContact O-N 3.28Å
7P37Very low38.7Very low100 Ų100103.1 Ų103.165%0.64953%0.528SS*.G310 helixtrans-58.7-15.7-175.823.1-32.4000110.9Q5 N9Q5-P7 WeakPolarHBondContact O-CD 3.45Å; P7-N9 VanDerWaalsContact C-N 3.26Å; P7-N9 PolarHBondContact O-N 3.19Å
8H39.2Very low39Very low131 Ų13199.3 Ų99.361%0.60651%0.511SS*.G310 helixtrans-70.6-9.1175.7-53.9-52000115.2N6N6-H8 PolarHBondContact O-N 3.47Å; N6-H8 VanDerWaalsContact OD1-CB 3.3Å; N6-H8 WeakPolarHBondContact OD1-CB 3.24Å; N6-H8 PolarHBondContact OD1-CD2 3.23Å; N6-H8 VanDerWaalsContact OD1-CG 3.3Å; N6-H8 PolarHBondContact OD1-N 3.4Å
9N36.7Very low39.3Very low63 Ų6398.7 Ų98.734%0.33752%0.517SS..G310 helixtrans-118.336.6-177.5-82.915.7000113N6 P7 W11N6-N9 PolarHBondContact O-N 3.28Å; P7-N9 VanDerWaalsContact C-N 3.26Å; P7-N9 PolarHBondContact O-N 3.19Å; N9-W11 HydrophobicContact CB-CE3 4.34Å; N9-W11 HydrophobicContact CB-CH2 3.53Å; N9-W11 HydrophobicContact CB-CZ2 4.28Å; N9-W11 HydrophobicContact CB-CZ3 3.53Å; N9-W11 WeakPolarHBondContact ND2-CH2 3.4Å; N9-W11 VanDerWaalsContact O-CZ3 3.24Å; N9-W11 WeakPolarHBondContact O-CZ3 3.4Å
10C40.3Very low39.7Very low45 Ų4597.3 Ų97.330%0.30451%0.509SS..  trans-93.4110.5170.1-66.50000109
11W45.1Very low40Very low28 Ų2898.3 Ų98.311%0.10653%0.525CS..  trans-105.8143.7176.6-66.3-80.2000110.8N9 V33 L36 V38 L71N9-W11 HydrophobicContact CB-CE3 4.34Å; N9-W11 HydrophobicContact CB-CH2 3.53Å; N9-W11 HydrophobicContact CB-CZ2 4.28Å; N9-W11 HydrophobicContact CB-CZ3 3.53Å; N9-W11 WeakPolarHBondContact ND2-CH2 3.4Å; N9-W11 VanDerWaalsContact O-CZ3 3.24Å; N9-W11 WeakPolarHBondContact O-CZ3 3.4Å; W11-V33 WeakPolarHBondContact CZ3-O 3.26Å; W11-L36 HydrophobicContact CD2-CD1 4.45Å; W11-L36 HydrophobicContact CE3-CB 4.3Å; W11-L36 HydrophobicContact CE3-CD1 4.16Å; W11-L36 HydrophobicContact CH2-CB 4.21Å; W11-L36 HydrophobicContact CZ3-CB 4.1Å; W11-V38 HydrophobicContact CZ2-CG2 4.25Å; W11-L71 HydrophobicContact CB-CB 4.07Å; W11-L71 HydrophobicContact CG-CB 4.43Å
12S43.7Very low40.8Very low23 Ų2390.1 Ų90.116%0.16149%0.491CS..BIsolated β-bridgetrans-97.7136.3166.3179.20000109.8I14 L71S12-I14 VanDerWaalsContact C-N 3.27Å; S12-I14 PolarHBondContact OG-N 3.16Å; S12-I14 VanDerWaalsContact OG-N 3.16Å; S12-I14 PolarHBondContact OG-O 2.82Å; S12-I14 VanDerWaalsContact OG-O 3.08Å; S12-L71 PolarHBondContact O-N 3.41Å
13L43.7Very low41.4Very low110 Ų11086.3 Ų86.358%0.57648%0.484SS*.SBendtrans-79.8-14.9173.4-138.7130.7000112I73L13-I73 HydrophobicContact CD1-CD1 3.43Å; L13-I73 VanDerWaalsContact CD1-CD1 3.43Å; L13-I73 HydrophobicContact CD1-CG1 4.45Å; L13-I73 HydrophobicContact CD2-CD1 4.2Å; L13-I73 HydrophobicContact CG-CD1 3.75Å; L13-I73 HydrophobicContact CG-CG1 4.29Å
14I44.4Very low42Very low121 Ų12187.2 Ų87.262%0.62148%0.477SS*.SBendtrans-97.4124.9-180-57.8176.1000107.5S12 P16S12-I14 VanDerWaalsContact C-N 3.27Å; S12-I14 PolarHBondContact OG-N 3.16Å; S12-I14 VanDerWaalsContact OG-N 3.16Å; S12-I14 PolarHBondContact OG-O 2.82Å; S12-I14 VanDerWaalsContact OG-O 3.08Å; I14-P16 WeakPolarHBondContact O-CD 3.07Å
15E44.3Very low42.2Very low135 Ų13583.5 Ų83.563%0.63146%0.458SS*.  trans-61.1107.3166.8-76.5-177.1168.400109.2S17 I70E15-S17 PolarHBondContact O-N 2.87Å; E15-I70 HydrophobicContact CB-CG2 4.41Å; E15-I70 HydrophobicContact CG-CG2 3.81Å
16P44.5Very low42.5Very low17 Ų1787.5 Ų87.511%0.1148%0.476CS..  trans-67.2123.6163.831.5-32000106.8I14 C18 W24 I70I14-P16 WeakPolarHBondContact O-CD 3.07Å; P16-C18 PolarHBondContact O-N 3.25Å; P16-W24 HydrophobicContact CB-CH2 4.16Å; P16-W24 HydrophobicContact CB-CZ2 3.83Å; P16-W24 HydrophobicContact CG-CH2 3.85Å; P16-W24 HydrophobicContact CG-CZ2 3.75Å; P16-I70 HydrophobicContact CG-CD1 3.95Å; P16-I70 HydrophobicContact CG-CG1 4.09Å
17S46Very low42.6Very low58 Ų5890.6 Ų90.641%0.40649%0.493SS..  trans-58.9132.915668.60000106.5E15 S19 I20E15-S17 PolarHBondContact O-N 2.87Å; S17-S19 WeakPolarHBondContact CB-OG 3.28Å; S17-S19 PolarHBondContact O-N 3.27Å; S17-S19 PolarHBondContact OG-OG 2.88Å; S17-I20 PolarHBondContact O-N 2.82Å; S17-I20 VanDerWaalsContact OG-CD1 3.32Å; S17-I20 WeakPolarHBondContact OG-CD1 3.47Å; S17-I20 VanDerWaalsContact OG-CG1 3.26Å; S17-I20 WeakPolarHBondContact OG-CG1 3.4Å
18C44.4Very low42.7Very low34 Ų3489.4 Ų89.423%0.2349%0.486CS..THydrogen-bonded Turntrans-51.6-26.2-179.9-80.80000112.8P16 I20 C44 N49P16-C18 PolarHBondContact O-N 3.25Å; C18-I20 PolarHBondContact O-N 3.21Å; C18-I20 VanDerWaalsContact O-N 3.16Å; C18-C44 WeakPolarHBondContact CA-SG 3.06Å; C18-C44 HydrophobicContact CB-CB 4.42Å; C18-C44 WeakPolarHBondContact CB-SG 3.4Å; C18-C44 WeakPolarHBondContact SG-CB 2.93Å; C18-C44 CovalentContact SG-SG 2.05Å; C18-C44 PolarHBondContact SG-SG 3.28Å; C18-N49 WeakPolarHBondContact CA-OD1 3.33Å; C18-N49 WeakPolarHBondContact CB-OD1 3.1Å; C18-N49 PolarHBondContact O-OD1 3.19Å
19S45.4Very low42.7Very low89 Ų8992 Ų9262%0.62250%0.499SS*.THydrogen-bonded Turntrans-62.8-12.1173.633.50000116.4S17 S21 N49S17-S19 WeakPolarHBondContact CB-OG 3.28Å; S17-S19 PolarHBondContact O-N 3.27Å; S17-S19 PolarHBondContact OG-OG 2.88Å; S19-S21 VanDerWaalsContact C-N 3.32Å; S19-S21 PolarHBondContact O-N 3.08Å; S19-N49 PolarHBondContact N-OD1 3.31Å
20I45.9Very low43Very low70 Ų7093.4 Ų93.436%0.35950%0.502SS..  trans-83.682.9179.5-63162.8000107.7S17 C18 S22S17-I20 PolarHBondContact O-N 2.82Å; S17-I20 VanDerWaalsContact OG-CD1 3.32Å; S17-I20 WeakPolarHBondContact OG-CD1 3.47Å; S17-I20 VanDerWaalsContact OG-CG1 3.26Å; S17-I20 WeakPolarHBondContact OG-CG1 3.4Å; C18-I20 PolarHBondContact O-N 3.21Å; C18-I20 VanDerWaalsContact O-N 3.16Å; I20-S22 WeakPolarHBondContact CG2-OG 3.3Å; I20-S22 PolarHBondContact O-N 2.64Å
21S46.1Very low43Very low119 Ų11996.8 Ų96.883%0.83252%0.516SS*.  trans-76.20.7166.577.20000112.3S19 Q23S19-S21 VanDerWaalsContact C-N 3.32Å; S19-S21 PolarHBondContact O-N 3.08Å; S21-Q23 PolarHBondContact O-N 3.23Å
22S43.5Very low42.9Very low70 Ų7097.1 Ų97.149%0.4952%0.522SS..SBendtrans-76.9114.5179.258.50000108.3I20 W24I20-S22 WeakPolarHBondContact CG2-OG 3.3Å; I20-S22 PolarHBondContact O-N 2.64Å; S22-W24 PolarHBondContact O-N 2.91Å; S22-W24 VanDerWaalsContact O-N 3.11Å
23Q42.4Very low42.9Very low172 Ų17298.2 Ų98.280%0.80453%0.528SS*.  trans2487.6136.7-67.9174.2-16.800111.1S21 D25S21-Q23 PolarHBondContact O-N 3.23Å; Q23-D25 VanDerWaalsContact C-N 3.27Å; Q23-D25 PolarHBondContact O-N 2.9Å
24W44.1Very low42.8Very low91 Ų9196.5 Ų96.535%0.34552%0.524SS..  trans-56.3107.3162.8-72.168.8000104.6P16 S22 E26 A67P16-W24 HydrophobicContact CB-CH2 4.16Å; P16-W24 HydrophobicContact CB-CZ2 3.83Å; P16-W24 HydrophobicContact CG-CH2 3.85Å; P16-W24 HydrophobicContact CG-CZ2 3.75Å; S22-W24 PolarHBondContact O-N 2.91Å; S22-W24 VanDerWaalsContact O-N 3.11Å; W24-E26 VanDerWaalsContact C-N 3.33Å; W24-E26 PolarHBondContact O-N 3.33Å; W24-A67 HydrophobicContact CZ2-CB 4.05Å
25D38.4Very low42.9Very low103 Ų10398.1 Ų98.155%0.55153%0.534SS*.  trans-57.3109.2170.9-94.6-28.2000104.1Q23 D27 C28Q23-D25 VanDerWaalsContact C-N 3.27Å; Q23-D25 PolarHBondContact O-N 2.9Å; D25-D27 HydrophobicContact CB-CB 4.33Å; D25-D27 PolarHBondContact O-N 2.98Å; D25-C28 PolarHBondContact O-N 3Å
26E40.9Very low43.1Very low177 Ų17794.2 Ų94.283%0.82752%0.517SS*.THydrogen-bonded Turntrans-53.7-15.8170-77.5-174.3150.300110.7W24 F30W24-E26 VanDerWaalsContact C-N 3.33Å; W24-E26 PolarHBondContact O-N 3.33Å; E26-F30 WeakPolarHBondContact O-CE2 3.47Å
27D37.8Very low43.4Very low146 Ų146100 Ų10078%0.78155%0.553SS**THydrogen-bonded Turntrans-80.5-10.1176.1-68.6-20.3000115D25 E29D25-D27 HydrophobicContact CB-CB 4.33Å; D25-D27 PolarHBondContact O-N 2.98Å; D27-E29 PolarHBondContact O-N 2.81Å
28C39.7Very low43.8Very low76 Ų7699 Ų9951%0.51454%0.544SS..SBendtrans-60.8110.1165.3-86.30000106.4D25 F30D25-C28 PolarHBondContact O-N 3Å; C28-F30 WeakPolarHBondContact O-CD2 3.04Å; C28-F30 WeakPolarHBondContact O-CG 3.2Å; C28-F30 PolarHBondContact O-N 2.96Å
29E39.2Very low44.4Very low185 Ų185102.2 Ų102.286%0.86457%0.567SS**  trans-48.789.2-176.9-161173.7-15400109.2D27 I31D27-E29 PolarHBondContact O-N 2.81Å; E29-I31 VanDerWaalsContact C-N 3.32Å; E29-I31 PolarHBondContact O-N 2.05Å
30F42.8Very low44.8Very low92 Ų92105.3 Ų105.340%0.40458%0.576SS.*  trans-67.6100.9-176.5-73.9-83.4000105.5E26 C28 S32E26-F30 WeakPolarHBondContact O-CE2 3.47Å; C28-F30 WeakPolarHBondContact O-CD2 3.04Å; C28-F30 WeakPolarHBondContact O-CG 3.2Å; C28-F30 PolarHBondContact O-N 2.96Å; F30-S32 PolarHBondContact O-N 3.35Å
31I41.8Very low45.4Very low117 Ų117103.8 Ų103.860%0.657%0.571SS**  trans-69.296.6164.1-55.6175.7000104.1E29 V33E29-I31 VanDerWaalsContact C-N 3.32Å; E29-I31 PolarHBondContact O-N 2.05Å; I31-V33 HydrophobicContact CB-CG2 4.33Å; I31-V33 HydrophobicContact CG2-CG2 3.75Å; I31-V33 WeakPolarHBondContact O-CG2 3.32Å; I31-V33 PolarHBondContact O-N 3.45Å
32S42.5Very low45.8Very low34 Ų34100 Ų10024%0.23854%0.544CS..  trans-62.593.9165.2168.20000106.7Q5 F30 C34Q5-S32 PolarHBondContact NE2-OG 2.96Å; F30-S32 PolarHBondContact O-N 3.35Å; S32-C34 PolarHBondContact O-N 2.89Å
33V42.9Very low46.6Very low46 Ų4698.8 Ų98.828%0.27953%0.529SS..  trans-85.592.7171.8-1620000106.3W11 I31 L36W11-V33 WeakPolarHBondContact CZ3-O 3.26Å; I31-V33 HydrophobicContact CB-CG2 4.33Å; I31-V33 HydrophobicContact CG2-CG2 3.75Å; I31-V33 WeakPolarHBondContact O-CG2 3.32Å; I31-V33 PolarHBondContact O-N 3.45Å; V33-L36 HydrophobicContact CB-CD1 3.41Å; V33-L36 VanDerWaalsContact CB-CD1 3.41Å; V33-L36 HydrophobicContact CB-CG 3.72Å; V33-L36 HydrophobicContact CG1-CD1 3.57Å; V33-L36 HydrophobicContact CG1-CD2 3.73Å; V33-L36 HydrophobicContact CG1-CG 3.39Å; V33-L36 HydrophobicContact CG2-CD1 4Å
34C42.9Very low47.2Very low74 Ų7490.7 Ų90.750%0.549%0.492SS..THydrogen-bonded Turntrans-61.5155.3170.7-62.50000110.4S32 L36S32-C34 PolarHBondContact O-N 2.89Å; C34-L36 PolarHBondContact O-N 2.85Å
35D46.5Very low47.8Very low156 Ų15687.7 Ų87.783%0.83448%0.483SS*.THydrogen-bonded Turntrans60.223.5173.5-54.2-32.8000116.2T37D35-T37 PolarHBondContact O-N 2.85Å
36L47.3Very low48.6Very low53 Ų5386.1 Ų86.128%0.27747%0.474SS..  trans-72.6124.3165.9-73.6-179.8000110.8W11 V33 C34 L71W11-L36 HydrophobicContact CD2-CD1 4.45Å; W11-L36 HydrophobicContact CE3-CB 4.3Å; W11-L36 HydrophobicContact CE3-CD1 4.16Å; W11-L36 HydrophobicContact CH2-CB 4.21Å; W11-L36 HydrophobicContact CZ3-CB 4.1Å; V33-L36 HydrophobicContact CB-CD1 3.41Å; V33-L36 VanDerWaalsContact CB-CD1 3.41Å; V33-L36 HydrophobicContact CB-CG 3.72Å; V33-L36 HydrophobicContact CG1-CD1 3.57Å; V33-L36 HydrophobicContact CG1-CD2 3.73Å; V33-L36 HydrophobicContact CG1-CG 3.39Å; V33-L36 HydrophobicContact CG2-CD1 4Å; C34-L36 PolarHBondContact O-N 2.85Å; L36-L71 HydrophobicContact CD1-CD1 3.93Å; L36-L71 HydrophobicContact CD1-CD2 3.3Å; L36-L71 HydrophobicContact CD1-CG 4.25Å
37T52Low49.6Very low139 Ų13983.9 Ų83.985%0.85347%0.467SS*.  trans-89.5108.3159.3180000107.1D35 S39D35-T37 PolarHBondContact O-N 2.85Å; T37-S39 PolarHBondContact O-N 2.91Å
38V53.3Low50.7Low36 Ų3679.5 Ų79.522%0.21845%0.448CS..  trans-82.7113173.1-170.90000107.9W11 P41 L71W11-V38 HydrophobicContact CZ2-CG2 4.25Å; V38-P41 HydrophobicContact CB-CB 4.38Å; V38-P41 HydrophobicContact CG1-CB 3.85Å; V38-L71 HydrophobicContact CB-CD1 4.28Å; V38-L71 HydrophobicContact CG1-CD1 4.08Å; V38-L71 HydrophobicContact CG2-CD1 3.54Å
39S56.7Low51.6Low101 Ų10180 Ų8071%0.70645%0.445SS*.SBendtrans-78.5131.716451.20000108.6T37T37-S39 PolarHBondContact O-N 2.91Å
40D54.4Low52.5Low155 Ų15574.5 Ų74.583%0.82942%0.424SS*.SBendtrans56.455.3177-51-39.2000114.6S42D40-S42 PolarHBondContact O-N 3.2Å
41P58.6Low53.3Low38 Ų3874.2 Ų74.225%0.24743%0.434CS..  trans-63.9122.9176.528.3-33.3000110.3V38 Y43V38-P41 HydrophobicContact CB-CB 4.38Å; V38-P41 HydrophobicContact CG1-CB 3.85Å; P41-Y43 HydrophobicContact CB-CE2 3.96Å; P41-Y43 HydrophobicContact CG-CE2 4.09Å
42S54Low54.1Low39 Ų3970.3 Ų70.327%0.27342%0.415SS..EExtended strand (participates in β ladder)trans-96.2139.8164.363.70000109.6D40 I70D40-S42 PolarHBondContact O-N 3.2Å; S42-I70 PolarHBondContact O-N 3.27Å
43Y60.1Low54.9Low45 Ų4575.6 Ų75.618%0.17644%0.441CS..EExtended strand (participates in β ladder)trans-114.8151.8176-55.2-99.9000109.4P41 S51 V52 V55 P69P41-Y43 HydrophobicContact CB-CE2 3.96Å; P41-Y43 HydrophobicContact CG-CE2 4.09Å; Y43-S51 CarbonylContact O-C 3.53Å; Y43-S51 WeakPolarHBondContact O-CA 3.37Å; Y43-V52 PolarHBondContact N-O 3.37Å; Y43-V52 PolarHBondContact O-N 2.81Å; Y43-V55 HydrophobicContact CD1-CB 4.14Å; Y43-V55 HydrophobicContact CD1-CG2 3.41Å; Y43-V55 VanDerWaalsContact CD1-CG2 3.41Å; Y43-V55 HydrophobicContact CD2-CB 4.42Å; Y43-V55 HydrophobicContact CD2-CG2 3.75Å; Y43-V55 HydrophobicContact CE1-CB 4.36Å; Y43-V55 HydrophobicContact CE1-CG2 4.1Å; Y43-V55 HydrophobicContact CE2-CG2 4.41Å; Y43-V55 HydrophobicContact CG-CB 4.18Å; Y43-V55 HydrophobicContact CG-CG2 3.2Å; Y43-P69 HydrophobicContact CD1-CB 3.94Å; Y43-P69 HydrophobicContact CE1-CB 3.56Å; Y43-P69 HydrophobicContact CE1-CG 3.96Å
44C55.4Low55.5Low2 Ų277.8 Ų77.81%0.01446%0.458CS..EExtended strand (participates in β ladder)trans-105.9122.6170.3-170.10000109.1C18 L46 A67C18-C44 WeakPolarHBondContact CA-SG 3.06Å; C18-C44 HydrophobicContact CB-CB 4.42Å; C18-C44 WeakPolarHBondContact CB-SG 3.4Å; C18-C44 WeakPolarHBondContact SG-CB 2.93Å; C18-C44 CovalentContact SG-SG 2.05Å; C18-C44 PolarHBondContact SG-SG 3.28Å; C44-L46 PolarHBondContact O-N 2.91Å; C44-A67 HydrophobicContact CB-CB 3.95Å; C44-A67 PolarHBondContact O-N 2.87Å
45D57.3Low56Low28 Ų2874.9 Ų74.915%0.1544%0.438CS..EExtended strand (participates in β ladder)trans-80.6110.9165.6171.82.7000107.8L47 S48 N49 T50 V52 Y66D45-L47 VanDerWaalsContact C-N 3.29Å; D45-L47 PolarHBondContact O-N 2.82Å; D45-L47 WeakPolarHBondContact OD1-CB 3.34Å; D45-L47 PolarHBondContact OD1-N 2.86Å; D45-S48 WeakPolarHBondContact CB-OG 3.42Å; D45-S48 PolarHBondContact OD1-N 2.92Å; D45-S48 WeakPolarHBondContact OD2-CB 3.07Å; D45-S48 PolarHBondContact OD2-OG 3.26Å; D45-N49 VanDerWaalsContact O-CA 3.27Å; D45-N49 WeakPolarHBondContact O-CA 3.49Å; D45-N49 PolarHBondContact O-N 2.89Å; D45-T50 PolarHBondContact N-O 2.65Å; D45-T50 PolarHBondContact O-N 3.01Å; D45-V52 HydrophobicContact CB-CG1 4.13Å; D45-Y66 HydrophobicContact CB-CD1 4.25Å; D45-Y66 HydrophobicContact CB-CE1 4.02Å
46L55.6Low56.3Low69 Ų6971.9 Ų71.936%0.36142%0.422SS..THydrogen-bonded Turntrans-72.4-24.2-175.7-64.2173.5000112.3C44 D65 A67C44-L46 PolarHBondContact O-N 2.91Å; L46-D65 VanDerWaalsContact CB-O 3.3Å; L46-D65 WeakPolarHBondContact CB-O 3.42Å; L46-D65 PolarHBondContact N-O 3.14Å; L46-A67 HydrophobicContact CD1-CB 4.46Å; L46-A67 HydrophobicContact CD2-CB 4.17Å; L46-A67 HydrophobicContact CG-CB 4.28Å
47L61.3Low56.3Low131 Ų13176.9 Ų76.969%0.68644%0.441SS*.THydrogen-bonded Turntrans-73.3-42.1178-67.2175.7000111.2D45 D65D45-L47 VanDerWaalsContact C-N 3.29Å; D45-L47 PolarHBondContact O-N 2.82Å; D45-L47 WeakPolarHBondContact OD1-CB 3.34Å; D45-L47 PolarHBondContact OD1-N 2.86Å; L47-D65 HydrophobicContact CD1-CB 4Å; L47-D65 WeakPolarHBondContact CD1-OD2 3.46Å; L47-D65 HydrophobicContact CG-CB 4Å
48S60.7Low56Low54 Ų5476 Ų7638%0.37843%0.432SS..THydrogen-bonded Turntrans-90.2-14178.466.50000113.4D45 T50D45-S48 WeakPolarHBondContact CB-OG 3.42Å; D45-S48 PolarHBondContact OD1-N 2.92Å; D45-S48 WeakPolarHBondContact OD2-CB 3.07Å; D45-S48 PolarHBondContact OD2-OG 3.26Å; S48-T50 WeakPolarHBondContact O-CG2 3.27Å; S48-T50 PolarHBondContact O-N 2.73Å; S48-T50 PolarHBondContact OG-OG1 3.36Å
49N58.9Low55.5Low87 Ų8776.7 Ų76.747%0.46544%0.436SS..THydrogen-bonded Turntrans5636.6-173-169.625.6000111.4C18 S19 D45C18-N49 WeakPolarHBondContact CA-OD1 3.33Å; C18-N49 WeakPolarHBondContact CB-OD1 3.1Å; C18-N49 PolarHBondContact O-OD1 3.19Å; S19-N49 PolarHBondContact N-OD1 3.31Å; D45-N49 VanDerWaalsContact O-CA 3.27Å; D45-N49 WeakPolarHBondContact O-CA 3.49Å; D45-N49 PolarHBondContact O-N 2.89Å
50T57.6Low55Low69 Ų6975.3 Ų75.342%0.42342%0.42SS..EExtended strand (participates in β ladder)trans-122.7150.2-179.6660000111.5D45 S48D45-T50 PolarHBondContact N-O 2.65Å; D45-T50 PolarHBondContact O-N 3.01Å; S48-T50 WeakPolarHBondContact O-CG2 3.27Å; S48-T50 PolarHBondContact O-N 2.73Å; S48-T50 PolarHBondContact OG-OG1 3.36Å
51S60.2Low54.4Low86 Ų8672.8 Ų72.860%0.60141%0.414SS*.EExtended strand (participates in β ladder)trans-75.5131.4169.959.20000109.6Y43Y43-S51 CarbonylContact O-C 3.53Å; Y43-S51 WeakPolarHBondContact O-CA 3.37Å
52V57.8Low53.6Low35 Ų3575.2 Ų75.221%0.21243%0.432CS..EExtended strand (participates in β ladder)trans-117.6132.7172.8-59.70000109.5Y43 D45 S54 V55 Y66Y43-V52 PolarHBondContact N-O 3.37Å; Y43-V52 PolarHBondContact O-N 2.81Å; D45-V52 HydrophobicContact CB-CG1 4.13Å; V52-S54 PolarHBondContact O-N 3.33Å; V52-V55 HydrophobicContact CG2-CG2 3.88Å; V52-Y66 HydrophobicContact CG2-CE1 4.47Å
53D59Low52.9Low145 Ų14576.9 Ų76.978%0.77544%0.438SS*.SBendtrans-73.6-14.4-177.7-60.1-29.7000112.5
54S55.1Low52Low91 Ų9183.5 Ų83.564%0.63647%0.47SS*.  trans-149.5132.4175.667.20000109.5V52V52-S54 PolarHBondContact O-N 3.33Å
55V53.7Low51.5Low14 Ų1485.9 Ų85.99%0.08548%0.483CS..  trans-95.7131.3160.8-173.60000106.9Y43 V52 K57 I60 Y66Y43-V55 HydrophobicContact CD1-CB 4.14Å; Y43-V55 HydrophobicContact CD1-CG2 3.41Å; Y43-V55 VanDerWaalsContact CD1-CG2 3.41Å; Y43-V55 HydrophobicContact CD2-CB 4.42Å; Y43-V55 HydrophobicContact CD2-CG2 3.75Å; Y43-V55 HydrophobicContact CE1-CB 4.36Å; Y43-V55 HydrophobicContact CE1-CG2 4.1Å; Y43-V55 HydrophobicContact CE2-CG2 4.41Å; Y43-V55 HydrophobicContact CG-CB 4.18Å; Y43-V55 HydrophobicContact CG-CG2 3.2Å; V52-V55 HydrophobicContact CG2-CG2 3.88Å; V55-K57 PolarHBondContact O-N 2.81Å; V55-I60 HydrophobicContact CB-CD1 4.09Å; V55-I60 HydrophobicContact CB-CG1 4.16Å; V55-I60 HydrophobicContact CG1-CD1 3.86Å; V55-I60 HydrophobicContact CG1-CG1 3.36Å; V55-Y66 HydrophobicContact CB-CD1 4.36Å; V55-Y66 HydrophobicContact CB-CG 4.45Å; V55-Y66 HydrophobicContact CG1-CD1 3.78Å; V55-Y66 HydrophobicContact CG1-CD2 3.49Å; V55-Y66 VanDerWaalsContact CG1-CD2 3.49Å; V55-Y66 HydrophobicContact CG1-CE1 3.84Å; V55-Y66 HydrophobicContact CG1-CE2 3.54Å; V55-Y66 HydrophobicContact CG1-CG 3.6Å; V55-Y66 HydrophobicContact CG2-CD1 3.53Å; V55-Y66 HydrophobicContact CG2-CE1 3.95Å; V55-Y66 HydrophobicContact CG2-CG 3.9Å
56D52.6Low50.9Low93 Ų9387.7 Ų87.750%0.49749%0.488SS..  trans-63110.3167.5-171-12.8000107.2D58 V59 I60D56-D58 PolarHBondContact O-N 2.97Å; D56-D58 PolarHBondContact OD1-N 3.46Å; D56-V59 HydrophobicContact CB-CB 4.38Å; D56-V59 HydrophobicContact CB-CG2 3.73Å; D56-V59 WeakPolarHBondContact O-CA 3.3Å; D56-V59 WeakPolarHBondContact O-CB 3.41Å; D56-V59 PolarHBondContact O-N 3.48Å; D56-I60 PolarHBondContact O-N 3.16Å
57K47.4Very low50.4Low157 Ų15784.6 Ų84.668%0.68347%0.472SS*.THydrogen-bonded Turntrans-52.4-26.4-178.759.3174.6-175.7170.90112.5V55 V59V55-K57 PolarHBondContact O-N 2.81Å; K57-V59 VanDerWaalsContact C-N 3.31Å
58D45.6Very low49.6Very low121 Ų12180.4 Ų80.465%0.64745%0.454SS*.THydrogen-bonded Turntrans-76.6-21.3178.9-66.6-16.8000111.5D56D56-D58 PolarHBondContact O-N 2.97Å; D56-D58 PolarHBondContact OD1-N 3.46Å
59V44.1Very low48.9Very low50 Ų5079 Ų7930%0.30344%0.443SS..THydrogen-bonded Turntrans-84.3-30.5175.7-1710000111.6D56 K57 S61 S62 D63 Y66D56-V59 HydrophobicContact CB-CB 4.38Å; D56-V59 HydrophobicContact CB-CG2 3.73Å; D56-V59 WeakPolarHBondContact O-CA 3.3Å; D56-V59 WeakPolarHBondContact O-CB 3.41Å; D56-V59 PolarHBondContact O-N 3.48Å; K57-V59 VanDerWaalsContact C-N 3.31Å; V59-S61 PolarHBondContact O-N 3.02Å; V59-S62 PolarHBondContact O-N 2.98Å; V59-D63 PolarHBondContact O-N 2.84Å; V59-Y66 HydrophobicContact CB-CE2 4.16Å; V59-Y66 HydrophobicContact CG1-CE2 3.69Å
60I44.7Very low48.2Very low73 Ų7375.5 Ų75.537%0.37443%0.425SS..THydrogen-bonded Turntrans-58.9-22.1175-43.6175000111.5V55 D56 S62V55-I60 HydrophobicContact CB-CD1 4.09Å; V55-I60 HydrophobicContact CB-CG1 4.16Å; V55-I60 HydrophobicContact CG1-CD1 3.86Å; V55-I60 HydrophobicContact CG1-CG1 3.36Å; D56-I60 PolarHBondContact O-N 3.16Å; I60-S62 VanDerWaalsContact C-N 3.29Å; I60-S62 PolarHBondContact O-N 3.11Å
61S42.4Very low47.6Very low101 Ų10172.9 Ų72.971%0.70641%0.408SS*.THydrogen-bonded Turntrans-69.7-18-177.1-1790000114.8V59V59-S61 PolarHBondContact O-N 3.02Å
62S42.2Very low46.6Very low89 Ų8973.1 Ų73.162%0.62241%0.406SS*.THydrogen-bonded Turntrans-126.9-40-174.7-172.10000112.7V59 I60V59-S62 PolarHBondContact O-N 2.98Å; I60-S62 VanDerWaalsContact C-N 3.29Å; I60-S62 PolarHBondContact O-N 3.11Å
63D39.5Very low45.8Very low75 Ų7575.8 Ų75.840%0.40142%0.418SS..  trans-100.9112.3-171-69.1-17.3000107.9V59 D65V59-D63 PolarHBondContact O-N 2.84Å; D63-D65 HydrophobicContact CB-CB 4.05Å; D63-D65 WeakPolarHBondContact CB-OD2 3.45Å; D63-D65 PolarHBondContact O-N 3.4Å
64H41.7Very low44.7Very low183 Ų18371.4 Ų71.485%0.84741%0.406SS*.THydrogen-bonded Turntrans-64.522.7170.6-69.756.2000111.8
65D44.5Very low43.8Very low52 Ų5271.8 Ų71.828%0.27841%0.409SS..THydrogen-bonded Turntrans-94.1-8.6-166.3-68-21.7000112.2L46 L47 D63L46-D65 VanDerWaalsContact CB-O 3.3Å; L46-D65 WeakPolarHBondContact CB-O 3.42Å; L46-D65 PolarHBondContact N-O 3.14Å; L47-D65 HydrophobicContact CD1-CB 4Å; L47-D65 WeakPolarHBondContact CD1-OD2 3.46Å; L47-D65 HydrophobicContact CG-CB 4Å; D63-D65 HydrophobicContact CB-CB 4.05Å; D63-D65 WeakPolarHBondContact CB-OD2 3.45Å; D63-D65 PolarHBondContact O-N 3.4Å
66Y43.8Very low43Very low66 Ų6679.2 Ų79.226%0.25945%0.448SS..EExtended strand (participates in β ladder)trans-98.8127.3170.6-61-75.6000110.2D45 V52 V55 V59D45-Y66 HydrophobicContact CB-CD1 4.25Å; D45-Y66 HydrophobicContact CB-CE1 4.02Å; V52-Y66 HydrophobicContact CG2-CE1 4.47Å; V55-Y66 HydrophobicContact CB-CD1 4.36Å; V55-Y66 HydrophobicContact CB-CG 4.45Å; V55-Y66 HydrophobicContact CG1-CD1 3.78Å; V55-Y66 HydrophobicContact CG1-CD2 3.49Å; V55-Y66 VanDerWaalsContact CG1-CD2 3.49Å; V55-Y66 HydrophobicContact CG1-CE1 3.84Å; V55-Y66 HydrophobicContact CG1-CE2 3.54Å; V55-Y66 HydrophobicContact CG1-CG 3.6Å; V55-Y66 HydrophobicContact CG2-CD1 3.53Å; V55-Y66 HydrophobicContact CG2-CE1 3.95Å; V55-Y66 HydrophobicContact CG2-CG 3.9Å; V59-Y66 HydrophobicContact CB-CE2 4.16Å; V59-Y66 HydrophobicContact CG1-CE2 3.69Å
67A46.3Very low42.1Very low5 Ų585.6 Ų85.64%0.04148%0.482CS..EExtended strand (participates in β ladder)trans-62142.1162.800000108.8W24 C44 L46W24-A67 HydrophobicContact CZ2-CB 4.05Å; C44-A67 HydrophobicContact CB-CB 3.95Å; C44-A67 PolarHBondContact O-N 2.87Å; L46-A67 HydrophobicContact CD1-CB 4.46Å; L46-A67 HydrophobicContact CD2-CB 4.17Å; L46-A67 HydrophobicContact CG-CB 4.28Å
68S44.7Very low41.9Very low42 Ų4282.1 Ų82.129%0.29447%0.472SS..EExtended strand (participates in β ladder)trans-46.9144.2175-58.20000111.3I70S68-I70 PolarHBondContact O-N 3.03Å
69P45.5Very low41.7Very low24 Ų2480 Ų8016%0.15646%0.462CS..EExtended strand (participates in β ladder)trans-49132.9174.814.4-26.3000110.9Y43Y43-P69 HydrophobicContact CD1-CB 3.94Å; Y43-P69 HydrophobicContact CE1-CB 3.56Å; Y43-P69 HydrophobicContact CE1-CG 3.96Å
70I44.7Very low41.5Very low15 Ų1581.7 Ų81.78%0.07747%0.471CS..EExtended strand (participates in β ladder)trans-81122.1178.8-57.3173.8000107.6E15 P16 S42 S68 V72E15-I70 HydrophobicContact CB-CG2 4.41Å; E15-I70 HydrophobicContact CG-CG2 3.81Å; P16-I70 HydrophobicContact CG-CD1 3.95Å; P16-I70 HydrophobicContact CG-CG1 4.09Å; S42-I70 PolarHBondContact O-N 3.27Å; S68-I70 PolarHBondContact O-N 3.03Å; I70-V72 HydrophobicContact CG2-CG2 4.31Å
71L43.7Very low41.3Very low13 Ų1382.2 Ų82.27%0.06848%0.477CS..  trans-93.1102.6173.5179.677.7000109.1W11 S12 L36 V38 I73W11-L71 HydrophobicContact CB-CB 4.07Å; W11-L71 HydrophobicContact CG-CB 4.43Å; S12-L71 PolarHBondContact O-N 3.41Å; L36-L71 HydrophobicContact CD1-CD1 3.93Å; L36-L71 HydrophobicContact CD1-CD2 3.3Å; L36-L71 HydrophobicContact CD1-CG 4.25Å; V38-L71 HydrophobicContact CB-CD1 4.28Å; V38-L71 HydrophobicContact CG1-CD1 4.08Å; V38-L71 HydrophobicContact CG2-CD1 3.54Å; L71-I73 HydrophobicContact CD2-CD1 3.79Å; L71-I73 HydrophobicContact CD2-CG1 3.55Å; L71-I73 HydrophobicContact CG-CG1 3.79Å; L71-I73 PolarHBondContact O-N 3.27Å
72V40.4Very low41.3Very low92 Ų9281 Ų8156%0.55846%0.463SS*.  trans-81.797.9167.2-174.70000107.9I70 G74I70-V72 HydrophobicContact CG2-CG2 4.31Å; V72-G74 VanDerWaalsContact C-N 3.32Å; V72-G74 PolarHBondContact O-N 3.32Å
73I41Very low41.2Very low91 Ų9180.5 Ų80.547%0.46745%0.452SS..  trans-73.895.4168.6-53.8-175000107L13 L71 S75L13-I73 HydrophobicContact CD1-CD1 3.43Å; L13-I73 VanDerWaalsContact CD1-CD1 3.43Å; L13-I73 HydrophobicContact CD1-CG1 4.45Å; L13-I73 HydrophobicContact CD2-CD1 4.2Å; L13-I73 HydrophobicContact CG-CD1 3.75Å; L13-I73 HydrophobicContact CG-CG1 4.29Å; L71-I73 HydrophobicContact CD2-CD1 3.79Å; L71-I73 HydrophobicContact CD2-CG1 3.55Å; L71-I73 HydrophobicContact CG-CG1 3.79Å; L71-I73 PolarHBondContact O-N 3.27Å; I73-S75 PolarHBondContact O-N 2.96Å
74G34.4Very low41.3Very low52 Ų5280.9 Ų80.954%0.53646%0.456SS..  trans-5411116500000108.5V72 N76V72-G74 VanDerWaalsContact C-N 3.32Å; V72-G74 PolarHBondContact O-N 3.32Å; G74-N76 VanDerWaalsContact C-N 3.33Å; G74-N76 PolarHBondContact O-N 2.78Å
75S37.5Very low41.3Very low100 Ų10073 Ų7370%0.69943%0.425SS*.  trans-65.8100.3166.7-63.80000106.1I73 L77I73-S75 PolarHBondContact O-N 2.96Å; S75-L77 PolarHBondContact O-N 3.32Å
76N36.3Very low41.1Very low169 Ų16974.8 Ų74.890%0.90444%0.438SS*.  trans-70.574.5160.6-74.5-62.3000107.1G74G74-N76 VanDerWaalsContact C-N 3.33Å; G74-N76 PolarHBondContact O-N 2.78Å
77L34.5Very low40.8Very low228 Ų22875.5 Ų75.5100%1.19445%0.454SS*.  trans-1250167-78.7174.3000109.1S75S75-L77 PolarHBondContact O-N 3.32Å

Retrieved 77 of 77 residues in 61.3 ms (Link to these results)