Protein Data Bank File : 1pnba Title : SEED STORAGE PROTEIN 17-SEP-96 1PNB Number of Amino Acid Residues : 31 Amino Acid Sequence : 1 2 3 4 5 6 7 8 9 10 0 GLN PRO GLN LYS CYS GLN ARG GLU PHE GLN 10 GLN GLU GLN HIS LEU ARG ALA CYS GLN GLN 20 TRP ILE ARG GLN GLN LEU ALA GLY SER PRO 30 PHE Main and Side Chain Dihedral Angles : Residue Type Phi Psi Omega Chi 1 Chi 2 Chi 3 Chi 4 1 GLN 0.0 63.8 -180.0 168.7 -116.6 2.7 2 PRO -75.0 129.2 -180.0 18.7 -14.0 3 GLN -75.0 -39.9 -180.0 -134.2 117.8 -77.0 4 LYS -56.7 -40.9 180.0 -40.8 -153.1 131.2 -71.1 5 CYS -56.9 -68.0 -180.0 -87.7 6 GLN -51.4 -38.0 180.0 1.2 177.9 -55.5 7 ARG -64.7 -71.6 179.9 -81.2 -90.7 -168.5 88.2 8 GLU -37.2 -41.2 -179.9 -108.7 69.2 -69.4 9 PHE -52.4 -67.8 -180.0 -166.4 25.2 10 GLN -77.4 -48.1 180.0 -141.0 -143.3 113.3 11 GLN -40.4 -36.9 180.0 -142.8 -117.8 109.5 12 GLU -75.9 -91.6 -180.0 -69.8 -97.1 22.4 13 GLN 174.2 71.2 -180.0 -102.7 142.7 -48.3 14 HIS -5.3 113.6 -180.0 -63.0 -171.3 15 LEU -41.3 162.4 -180.0 -10.8 -58.4 16 ARG -115.0 -46.4 180.0 -85.9 -158.1 -167.2 87.3 17 ALA -47.1 -29.2 -180.0 18 CYS -79.1 -31.0 180.0 -41.3 19 GLN -35.1 -32.8 179.9 -154.7 -117.6 29.5 20 GLN -59.1 -83.9 180.0 -77.6 -123.6 -29.0 21 TRP -53.1 -63.6 -180.0 140.0 78.5 22 ILE -30.1 -45.7 180.0 76.6 81.5 23 ARG -84.7 -70.0 180.0 -179.5 171.0 -168.0 -77.2 24 GLN -40.4 -40.9 -180.0 -172.9 -78.3 -23.9 25 GLN -39.3 -38.7 180.0 152.6 64.3 -36.4 26 LEU -39.7 -48.6 -180.0 -78.6 179.4 27 ALA -44.2 166.4 -180.0 28 GLY 141.8 48.6 -180.0 29 SER -174.1 88.4 180.0 64.3 30 PRO -74.9 134.7 -180.0 18.7 -14.1 31 PHE -81.0 165.7 0.0 82.9 -28.5 Alpha Carbon Cartesian Coordinates : Residue Type X Y Z 1 GLN 6.993 1.437 14.195 2 PRO 6.401 -2.251 13.444 3 GLN 9.372 -3.976 11.857 4 LYS 7.278 -6.836 10.528 5 CYS 5.204 -4.274 8.668 6 GLN 8.123 -2.603 6.932 7 ARG 9.618 -6.061 6.567 8 GLU 6.674 -7.971 5.150 9 PHE 6.391 -5.057 2.752 10 GLN 9.811 -5.411 1.170 11 GLN 10.578 -8.833 2.596 12 GLU 7.767 -9.980 0.335 13 GLN 7.948 -8.252 -3.027 14 HIS 6.375 -4.819 -3.276 15 LEU 3.155 -5.548 -5.127 16 ARG 3.167 -4.843 -8.846 17 ALA -0.483 -4.463 -9.769 18 CYS -0.206 -1.353 -7.632 19 GLN 2.876 -0.298 -9.560 20 GLN 0.289 1.369 -11.762 21 TRP -1.396 3.857 -9.461 22 ILE 1.411 3.724 -6.926 23 ARG 3.501 5.021 -9.802 24 GLN 1.078 6.838 -12.072 25 GLN -0.207 8.440 -8.893 26 LEU 2.889 10.598 -9.168 27 ALA 1.031 12.504 -11.857 28 GLY -1.051 15.468 -10.757 29 SER -0.194 18.515 -12.832 30 PRO -1.760 19.055 -16.264 31 PHE 0.185 21.300 -18.610 Richards-Kundrot Secondary Structure Assignment : 1 2 3 4 5 6 7 8 9 10 0 C H H H H H H H H H/T 10 T T T C C H H H H 3 20 3 H H H H 3 3 S S S 30 S Kabsch-Sander Secondary Structure Assignment : 1 2 3 4 5 6 7 8 9 10 0 h H H H H H H H H 10 H H h t t T h H H 20 H H H H h T t 30 Buried Surface Area Percentages : Residue Type Buried Area % Buried % Polar Cover 1 GLN 24.2 16.3 89.9 2 PRO 48.3 38.8 72.8 3 GLN 54.2 36.5 81.8 4 LYS 24.6 14.2 82.6 5 CYS 22.9 23.1 67.9 6 GLN 60.1 40.4 66.9 7 ARG 70.9 34.0 75.3 8 GLU 62.1 44.8 72.5 9 PHE 57.5 34.4 70.4 10 GLN 24.9 16.8 81.8 11 GLN 43.5 29.3 76.8 12 GLU 35.5 25.6 76.1 13 GLN 11.0 7.4 89.0 14 HIS 72.7 48.4 57.7 15 LEU 50.7 34.3 65.5 16 ARG 22.2 10.6 86.2 17 ALA 0.0 0.0 80.5 18 CYS 60.4 60.9 47.0 19 GLN 49.2 33.1 62.8 20 GLN 9.5 6.4 88.5 21 TRP 46.4 22.6 70.4 22 ILE 80.2 55.9 48.9 23 ARG 56.6 27.1 77.1 24 GLN 36.5 24.5 70.3 25 GLN 47.9 32.3 78.9 26 LEU 19.4 13.1 83.2 27 ALA 22.2 30.6 84.8 28 GLY 0.0 0.0 80.9 29 SER 9.1 10.8 78.3 30 PRO 8.5 6.8 82.9 31 PHE 0.0 0.0 91.1