==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-FEB-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTEIN BINDING 05-JUN-01 1JBL . COMPND 2 MOLECULE: CYCLIC TRYPSIN INHIBITOR; . SOURCE 2 ORGANISM_SCIENTIFIC: HELIANTHUS ANNUUS; . AUTHOR M.L.J.KORSINCZKY,H.J.SCHIRRA,K.J.ROSENGREN,J.WEST,B.A.CONDIE . 14 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 1419.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 3 21.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 14.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 1 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 1 A G 0 0 51 0, 0.0 13,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -37.6 11.1 2.0 8.6 2 2 A R - 0 0 154 9,-0.1 10,-2.7 1,-0.1 2,-0.3 0.019 360.0-158.4 -49.7 158.8 13.5 2.0 5.7 3 3 A a B -A 11 0A 71 8,-0.3 8,-0.3 0, 0.0 2,-0.1 -0.995 16.3-116.7-146.5 138.1 13.4 4.9 3.1 4 4 A T - 0 0 42 6,-1.4 7,-0.0 -2,-0.3 0, 0.0 -0.359 25.1-120.4 -72.4 152.9 14.6 5.2 -0.5 5 5 A K S S+ 0 0 202 4,-0.1 2,-0.1 -2,-0.1 -1,-0.1 0.067 84.6 95.8 -81.8 27.4 17.3 7.7 -1.4 6 6 A S S S- 0 0 48 2,-0.1 0, 0.0 4,-0.1 0, 0.0 -0.398 80.0 -83.8-105.9-175.2 14.9 9.4 -3.8 7 7 A I S S+ 0 0 162 1,-0.4 -2,-0.1 -2,-0.1 3,-0.0 -0.938 122.2 27.4-146.3 119.7 12.6 12.4 -3.5 8 8 A P S S- 0 0 107 0, 0.0 -1,-0.4 0, 0.0 2,-0.1 0.408 108.9-134.2 -68.1 137.8 10.0 12.2 -2.4 9 9 A P - 0 0 72 0, 0.0 2,-0.9 0, 0.0 -4,-0.1 -0.395 7.5-135.1 -65.1 134.2 11.6 9.3 -0.5 10 10 A I - 0 0 101 -2,-0.1 -6,-1.4 -3,-0.0 2,-0.3 -0.805 22.4-159.7 -94.9 104.2 9.6 6.0 -0.4 11 11 A a B -A 3 0A 73 -2,-0.9 -8,-0.3 -8,-0.3 -9,-0.1 -0.676 11.9-129.0 -87.9 137.2 9.7 4.7 3.2 12 12 A F - 0 0 88 -10,-2.7 -1,-0.0 -2,-0.3 0, 0.0 -0.442 24.4-111.7 -79.9 154.4 8.9 1.0 3.9 13 13 A P 0 0 142 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.751 360.0 360.0 -57.1 -24.6 6.3 0.0 6.5 14 14 A D 0 0 106 -12,-0.0 -3,-0.0 -13,-0.0 0, 0.0 0.767 360.0 360.0 -78.1 360.0 9.3 -1.4 8.6