Protein Data Bank File : 1g26 Title : CYTOKINE 17-OCT-00 1G26 Number of Amino Acid Residues : 31 Amino Acid Sequence : 1 2 3 4 5 6 7 8 9 10 0 VAL VAL HIS CYS ASP MET GLU VAL ILE CYS 10 PRO ASP GLY TYR THR CYS CYS ARG LEU PRO 20 SER GLY ALA TRP GLY CYS CYS PRO PHE THR 30 GLN Main and Side Chain Dihedral Angles : Residue Type Phi Psi Omega Chi 1 Chi 2 Chi 3 Chi 4 1 VAL 0.0 149.1 179.8 -52.0 2 VAL -99.1 82.6 -179.8 -172.8 3 HIS -51.6 89.8 179.8 46.6 12.5 4 CYS -60.1 -19.5 179.8 -66.9 5 ASP 177.9 -170.8 -179.9 -145.1 -58.8 6 MET -91.8 14.1 179.6 -75.6 -149.6 172.2 7 GLU -127.8 3.0 -180.0 -98.7 98.3 -45.9 8 VAL -168.5 154.4 179.8 68.6 9 ILE -146.4 125.5 -179.9 -179.7 -178.7 10 CYS -128.0 137.2 179.9 -72.3 11 PRO -73.1 152.9 -179.6 24.3 -27.6 12 ASP -37.2 -44.5 -178.6 37.8 61.9 13 GLY -62.6 -3.4 -179.4 14 TYR -124.3 154.3 179.6 -71.1 -112.7 15 THR -107.3 137.6 -179.9 74.6 16 CYS -90.8 142.4 179.8 -91.3 17 CYS -136.0 149.2 -180.0 -127.4 18 ARG -103.6 129.4 -179.9 -119.8 -124.5 -103.2 -150.9 19 LEU -69.8 168.6 -179.8 -114.5 105.0 20 PRO -74.7 2.2 -179.9 24.7 -27.9 21 SER -122.5 33.3 179.8 -124.5 22 GLY 68.5 30.2 180.0 23 ALA -108.3 -174.1 180.0 24 TRP -137.8 147.9 179.9 -90.5 112.0 25 GLY -143.7 156.3 -179.8 26 CYS -118.7 135.6 179.7 -154.6 27 CYS -139.6 125.5 179.9 -112.8 28 PRO -73.3 164.8 -180.0 24.7 -29.0 29 PHE -119.8 45.0 -179.9 -137.9 -103.6 30 THR -106.8 85.3 180.0 40.2 31 GLN -112.7 -72.3 0.0 -47.3 -134.7 68.0 Alpha Carbon Cartesian Coordinates : Residue Type X Y Z 1 VAL -6.378 7.906 -0.557 2 VAL -3.854 6.879 2.123 3 HIS -0.508 7.973 0.626 4 CYS 1.560 5.233 2.304 5 ASP 4.592 7.108 0.918 6 MET 5.925 8.977 -2.141 7 GLU 6.323 5.708 -4.085 8 VAL 2.852 4.171 -3.614 9 ILE -0.717 5.109 -2.617 10 CYS -3.532 2.855 -1.348 11 PRO -7.107 3.790 -0.463 12 ASP -8.440 3.006 3.038 13 GLY -10.042 -0.154 1.597 14 TYR -6.501 -1.440 0.862 15 THR -3.511 -2.361 3.059 16 CYS 0.050 -1.264 2.200 17 CYS 2.912 -3.783 2.439 18 ARG 6.700 -3.487 2.012 19 LEU 8.515 -6.031 -0.189 20 PRO 11.635 -7.844 1.010 21 SER 13.688 -5.583 -1.292 22 GLY 12.701 -2.135 0.036 23 ALA 9.679 -2.104 -2.306 24 TRP 5.949 -1.522 -1.723 25 GLY 2.791 -3.477 -2.626 26 CYS -0.966 -3.014 -2.108 27 CYS -3.410 -5.742 -1.017 28 PRO -7.141 -5.384 -0.361 29 PHE -8.800 -7.099 2.627 30 THR -12.048 -8.347 1.038 31 GLN -12.151 -12.120 1.652 Richards-Kundrot Secondary Structure Assignment : 1 2 3 4 5 6 7 8 9 10 0 C C C C T T T T/S S S 10 S/T T T T/S S S S S S/T T 20 T T/S S S S S S S S S/S 30 S Kabsch-Sander Secondary Structure Assignment : 1 2 3 4 5 6 7 8 9 10 0 E E E E T T E E E 10 t T e E E E E E e T 20 T t e E E E E E e 30 Buried Surface Area Percentages : Residue Type Buried Area % Buried % Polar Cover 1 VAL 42.2 35.5 66.4 2 VAL 45.5 38.3 68.0 3 HIS 23.2 15.5 78.9 4 CYS 78.7 79.3 48.4 5 ASP 46.0 41.6 70.5 6 MET 0.0 0.0 91.8 7 GLU 27.9 20.1 75.6 8 VAL 90.8 76.4 47.4 9 ILE 58.6 40.9 59.9 10 CYS 97.9 98.6 38.7 11 PRO 68.6 55.1 57.3 12 ASP 7.7 7.0 73.5 13 GLY 0.0 0.0 73.0 14 TYR 93.5 51.6 57.2 15 THR 52.0 48.6 65.0 16 CYS 87.5 88.2 43.5 17 CYS 19.4 19.6 76.2 18 ARG 70.5 33.8 73.5 19 LEU 63.9 43.2 64.6 20 PRO 19.2 15.4 74.5 21 SER 12.7 15.1 74.8 22 GLY 10.4 29.9 81.0 23 ALA 37.1 51.2 62.2 24 TRP 150.9 73.6 57.4 25 GLY 12.4 35.7 66.2 26 CYS 71.2 71.8 50.9 27 CYS 22.3 22.5 72.3 28 PRO 71.0 57.0 66.8 29 PHE 28.3 17.0 80.3 30 THR 11.0 10.3 78.5 31 GLN 12.6 8.5 79.9