Protein Data Bank File : 1tpn Title : PLASMINOGEN ACTIVATOR 26-MAY-93 1TPN Number of Amino Acid Residues : 50 Amino Acid Sequence : 1 2 3 4 5 6 7 8 9 10 0 SER TYR GLN VAL ILE CYS ARG ASP GLU LYS 10 THR GLN MET ILE TYR GLN GLN HIS GLN SER 20 TRP LEU ARG PRO VAL LEU ARG SER ASN ARG 30 VAL GLU TYR CYS TRP CYS ASN SER GLY ARG 40 ALA GLN CYS HIS SER VAL PRO VAL LYS SER Main and Side Chain Dihedral Angles : Residue Type Phi Psi Omega Chi 1 Chi 2 Chi 3 Chi 4 1 SER 0.0 -44.9 -180.0 122.3 2 TYR -77.7 167.1 -179.9 11.1 70.4 3 GLN -95.7 99.7 179.9 -100.5 165.8 9.1 4 VAL -153.4 10.6 -179.9 -101.7 5 ILE -109.0 166.7 -179.9 50.9 131.6 6 CYS -134.9 113.1 -179.9 -16.9 7 ARG -90.3 116.2 179.8 -172.0 161.5 152.7 -173.9 8 ASP -104.2 112.1 -179.8 -169.7 -60.5 9 GLU -81.3 -1.2 179.9 65.2 -166.3 -54.9 10 LYS -84.0 -13.3 179.8 -120.1 73.9 -159.7 68.4 11 THR -137.4 -20.0 179.9 120.3 12 GLN 75.0 44.3 -180.0 -145.5 -69.2 -53.1 13 MET -135.2 139.1 180.0 179.5 146.4 -100.7 14 ILE -89.7 154.5 180.0 -49.0 -54.2 15 TYR -140.3 154.1 -179.9 -60.2 -72.5 16 GLN -83.4 -175.7 -179.9 -43.7 105.0 -109.7 17 GLN -71.9 150.4 180.0 -158.6 174.7 14.0 18 HIS 49.4 19.6 180.0 -106.0 -150.2 19 GLN -90.7 140.5 -179.9 -151.4 70.9 -3.4 20 SER -105.2 140.3 179.8 69.6 21 TRP -151.0 123.7 -179.8 75.9 91.9 22 LEU -78.4 167.4 180.0 -77.6 -75.0 23 ARG -144.4 158.9 -179.9 -96.5 147.6 37.8 89.8 24 PRO -47.6 171.8 -179.9 -8.5 3.2 25 VAL -86.2 179.9 179.9 -30.1 26 LEU -84.7 -69.0 180.0 -40.1 -172.5 27 ARG -150.2 -18.5 -179.9 -64.0 -161.6 77.9 -151.7 28 SER -95.8 -109.6 -180.0 -78.8 29 ASN -141.8 15.3 180.0 -118.6 -48.1 30 ARG -72.7 -175.5 179.9 -61.8 -146.5 -158.5 158.5 31 VAL -140.5 138.1 -179.9 -94.5 32 GLU -89.3 115.4 -180.0 -84.8 176.7 -53.9 33 TYR -103.0 126.4 179.9 -168.5 -70.7 34 CYS -149.1 141.5 -179.9 -159.3 35 TRP -141.6 152.0 -179.9 89.9 90.9 36 CYS -72.1 112.4 179.9 -133.3 37 ASN -88.8 -14.4 180.0 156.8 -128.8 38 SER -173.7 -23.0 180.0 63.8 39 GLY 144.4 13.2 -180.0 40 ARG -118.9 8.5 -179.9 58.0 -172.6 -19.7 149.4 41 ALA 58.0 98.5 180.0 42 GLN -89.7 117.4 -179.8 -137.0 -61.3 57.5 43 CYS -113.9 151.3 179.8 -54.9 44 HIS -152.7 136.9 -179.7 80.8 -116.7 45 SER -96.9 113.1 179.8 -12.3 46 VAL -124.1 111.0 -179.7 153.7 47 PRO -61.8 172.9 -180.0 0.8 0.0 48 VAL -140.5 -2.2 -179.9 90.8 49 LYS 41.9 62.7 180.0 -143.0 -62.7 -176.5 -67.9 50 SER -74.2 -40.1 0.0 46.4 Alpha Carbon Cartesian Coordinates : Residue Type X Y Z 1 SER 12.426 -0.188 -5.939 2 TYR 13.259 -0.755 -2.286 3 GLN 10.620 -0.802 0.454 4 VAL 10.748 2.508 2.307 5 ILE 7.656 4.417 1.183 6 CYS 4.126 4.719 2.602 7 ARG 1.076 5.040 0.379 8 ASP -1.811 6.866 2.045 9 GLU -5.085 6.509 0.136 10 LYS -6.798 8.987 2.423 11 THR -4.942 11.796 0.714 12 GLN -3.266 10.001 -2.152 13 MET 0.254 10.929 -1.113 14 ILE 3.379 8.846 -0.597 15 TYR 5.706 9.267 2.380 16 GLN 9.171 8.045 3.311 17 GLN 10.177 5.927 6.283 18 HIS 9.885 7.407 9.771 19 GLN 8.281 10.298 7.913 20 SER 5.418 12.204 9.571 21 TRP 2.311 13.510 7.807 22 LEU -0.899 14.939 9.269 23 ARG -4.394 14.321 7.965 24 PRO -7.836 16.010 8.168 25 VAL -9.941 15.646 11.307 26 LEU -12.704 13.170 12.004 27 ARG -15.783 15.280 12.662 28 SER -14.837 17.655 15.459 29 ASN -11.614 19.693 15.424 30 ARG -8.964 17.092 16.138 31 VAL -6.100 16.236 13.827 32 GLU -4.919 12.911 12.500 33 TYR -1.238 12.431 13.161 34 CYS 0.476 9.630 11.359 35 TRP 3.963 8.601 10.497 36 CYS 5.602 5.619 8.837 37 ASN 6.856 3.313 11.586 38 SER 8.109 0.779 9.067 39 GLY 5.836 0.961 6.033 40 ARG 2.326 0.520 7.457 41 ALA 1.681 4.140 8.337 42 GLN 1.483 4.455 12.119 43 CYS -1.415 6.723 13.146 44 HIS -2.476 8.252 16.422 45 SER -5.103 10.872 17.207 46 VAL -3.858 13.774 19.320 47 PRO -6.173 16.870 19.532 48 VAL -4.881 20.413 19.400 49 LYS -7.881 22.428 20.560 50 SER -7.516 24.954 17.745 Richards-Kundrot Secondary Structure Assignment : 1 2 3 4 5 6 7 8 9 10 0 S S S S/S S S S S/T T T 10 T S S S S S S S S S 20 S S S S S/T T T T/S S S 30 S/S S S S S S/T T T T S 40 S S S S S S S S S/S S Kabsch-Sander Secondary Structure Assignment : 1 2 3 4 5 6 7 8 9 10 0 S E E E T T 10 T T E E E t T T e E 20 E E E S S S S 30 e E E E E e S S S S 40 E E E E e Buried Surface Area Percentages : Residue Type Buried Area % Buried % Polar Cover 1 SER 0.0 0.0 81.1 2 TYR 18.5 10.2 85.2 3 GLN 0.0 0.0 86.9 4 VAL 64.4 54.2 64.8 5 ILE 51.4 35.8 66.9 6 CYS 96.2 96.9 45.7 7 ARG 50.6 24.2 78.5 8 ASP 101.3 91.7 55.8 9 GLU 14.6 10.6 81.8 10 LYS 56.6 32.6 81.0 11 THR 71.5 66.9 62.6 12 GLN 27.9 18.8 84.5 13 MET 47.3 29.7 79.1 14 ILE 80.7 56.2 56.5 15 TYR 155.2 85.7 43.9 16 GLN 50.4 33.9 74.0 17 GLN 70.8 47.6 62.3 18 HIS 33.9 22.5 80.6 19 GLN 82.1 55.3 74.8 20 SER 44.0 52.6 63.3 21 TRP 192.1 93.7 41.5 22 LEU 75.7 51.2 63.0 23 ARG 179.3 85.8 49.7 24 PRO 28.2 22.6 76.6 25 VAL 73.4 61.8 64.0 26 LEU 68.2 46.1 65.0 27 ARG 6.8 3.2 88.2 28 SER 14.6 17.4 76.5 29 ASN 27.5 22.8 78.9 30 ARG 98.6 47.2 58.1 31 VAL 74.2 62.4 57.7 32 GLU 100.7 72.7 61.7 33 TYR 106.2 58.7 58.1 34 CYS 99.2 100.0 45.4 35 TRP 142.1 69.3 57.0 36 CYS 99.0 99.8 50.7 37 ASN 60.4 50.0 63.2 38 SER 39.0 46.7 72.5 39 GLY 21.7 62.5 72.4 40 ARG 39.4 18.9 88.2 41 ALA 51.7 71.2 50.7 42 GLN 81.6 54.9 60.7 43 CYS 55.9 56.3 69.0 44 HIS 86.2 57.4 55.1 45 SER 41.9 50.2 64.7 46 VAL 35.3 29.7 75.7 47 PRO 61.8 49.6 68.7 48 VAL 40.3 33.9 69.8 49 LYS 1.9 1.1 88.6 50 SER 32.5 38.8 78.6