Protein Data Bank File : 1clvi Title : HYDROLASE 04-MAY-99 1CLV Number of Amino Acid Residues : 32 Amino Acid Sequence : 1 2 3 4 5 6 7 8 9 10 0 CYS ILE PRO LYS TRP ASN ARG CYS GLY PRO 10 LYS MET ASP GLY VAL PRO CYS CYS GLU PRO 20 TYR THR CYS THR SER ASP TYR TYR GLY ASN 30 CYS SER Main and Side Chain Dihedral Angles : Residue Type Phi Psi Omega Chi 1 Chi 2 Chi 3 Chi 4 1 CYS 0.0 167.6 -179.0 53.7 2 ILE -93.6 121.2 179.9 -51.1 162.2 3 PRO -68.4 160.1 -178.4 29.2 -41.8 4 LYS -49.0 140.6 179.5 -174.7 155.4 81.6 173.3 5 TRP 77.0 -8.7 -179.7 -54.4 121.0 6 ASN -85.4 162.4 -177.6 -74.6 -85.6 7 ARG -61.8 131.1 178.8 -170.7 65.5 61.1 -140.4 8 CYS -143.1 160.1 180.0 55.8 9 GLY -178.6 72.0 -179.2 10 PRO -46.3 -37.5 -179.2 -27.4 41.4 11 LYS -68.5 -19.5 -179.8 -162.1 177.8 177.0 -170.0 12 MET -84.8 -48.5 -177.4 -64.3 -63.9 -74.1 13 ASP -125.9 -1.7 -179.3 58.5 5.4 14 GLY 74.0 1.6 179.8 15 VAL -76.9 121.8 -179.7 -174.1 16 PRO -90.3 161.4 177.0 39.9 -44.2 17 CYS -76.3 150.2 178.2 -70.7 18 CYS -70.6 145.5 179.4 -59.6 19 GLU -57.3 150.9 -5.5 -65.7 -56.4 -55.0 20 PRO -96.2 26.0 -177.4 40.4 -43.6 21 TYR -87.8 158.1 179.2 -53.3 -67.9 22 THR -129.6 162.3 -179.0 53.8 23 CYS -82.5 136.3 178.8 -160.2 24 THR -70.7 -12.5 -179.4 53.9 25 SER -145.1 161.8 178.5 173.6 26 ASP -88.8 -20.0 -176.8 -84.7 -28.8 27 TYR -115.7 -44.4 -177.9 -47.9 -80.2 28 TYR -154.7 100.1 179.8 -173.1 -82.1 29 GLY -153.7 -157.4 179.5 30 ASN -130.5 156.0 178.7 66.8 78.5 31 CYS -84.9 113.0 178.9 -65.4 32 SER -155.0 -166.3 0.0 57.4 Alpha Carbon Cartesian Coordinates : Residue Type X Y Z 1 CYS 62.945 13.887 3.700 2 ILE 59.381 15.010 3.024 3 PRO 57.786 13.685 -0.213 4 LYS 55.895 15.999 -2.579 5 TRP 52.676 17.693 -1.378 6 ASN 53.348 16.831 2.259 7 ARG 53.697 19.210 5.198 8 CYS 57.002 21.068 5.599 9 GLY 58.484 23.955 7.576 10 PRO 62.328 23.732 7.539 11 LYS 62.861 26.612 9.998 12 MET 60.937 24.620 12.607 13 ASP 62.600 21.195 12.473 14 GLY 65.269 21.311 9.774 15 VAL 63.592 18.471 7.823 16 PRO 63.991 19.097 4.090 17 CYS 61.705 18.282 1.176 18 CYS 62.930 15.391 -0.956 19 GLU 64.670 16.581 -4.114 20 PRO 63.923 18.426 -6.274 21 TYR 61.132 20.074 -4.278 22 THR 61.235 22.969 -1.845 23 CYS 58.918 24.150 0.887 24 THR 56.374 26.831 0.039 25 SER 56.924 28.213 3.562 26 ASP 59.655 28.311 6.206 27 TYR 57.147 27.374 8.897 28 TYR 54.060 25.673 7.488 29 GLY 53.677 24.795 3.825 30 ASN 53.945 21.927 1.366 31 CYS 56.761 20.446 -0.700 32 SER 56.248 21.337 -4.360 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 10 T T C S S S S S/T T/P T 20 T/S S S S T T T T/S S S 30 S S Kabsch-Sander Secondary Structure Assignment : 1 2 3 4 5 6 7 8 9 10 0 B t T T e E E h H 10 H H H h B t T T 20 t B S S S S E E 30 e Buried Surface Area Percentages : Residue Type Buried Area % Buried % Polar Cover 1 CYS 57.7 58.1 59.2 2 ILE 119.1 83.0 49.4 3 PRO 47.8 38.4 72.7 4 LYS 103.6 59.7 58.4 5 TRP 54.4 26.5 77.3 6 ASN 49.5 41.0 69.1 7 ARG 89.6 42.9 68.6 8 CYS 96.0 96.8 44.4 9 GLY 32.4 93.2 61.0 10 PRO 84.6 68.0 68.7 11 LYS 52.3 30.2 78.1 12 MET 46.5 29.2 79.2 13 ASP 40.0 36.2 72.8 14 GLY 4.3 12.3 80.7 15 VAL 61.3 51.6 65.2 16 PRO 43.3 34.8 72.8 17 CYS 97.8 98.6 46.9 18 CYS 66.9 67.4 61.8 19 GLU 8.8 6.3 83.0 20 PRO 37.9 30.4 74.6 21 TYR 121.7 67.2 63.5 22 THR 9.4 8.8 83.0 23 CYS 96.3 97.0 51.7 24 THR 50.7 47.4 80.2 25 SER 49.9 59.6 74.0 26 ASP 32.8 29.7 62.8 27 TYR 75.4 41.7 67.6 28 TYR 45.0 24.8 82.4 29 GLY 27.7 79.6 66.6 30 ASN 73.7 61.0 64.9 31 CYS 99.2 100.0 45.2 32 SER 64.4 77.0 51.7