==== 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 06-JUN-01 1JBN . COMPND 2 MOLECULE: CYCLIC TRYPSIN INHIBITOR; . SOURCE 2 SYNTHETIC: YES; . 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) . 1446.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 5 35.7 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 . 3 21.4 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 . 2 14.3 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 . 0 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 ANTIPARALLEL 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 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 78 0, 0.0 2,-0.3 0, 0.0 13,-0.1 0.000 360.0 360.0 360.0 133.7 6.5 -6.2 2.4 2 2 A R E -A 12 0A 148 10,-0.7 10,-4.2 9,-0.1 2,-0.4 -0.578 360.0-159.6 -76.7 131.3 9.3 -3.9 3.5 3 3 A a E -A 11 0A 71 -2,-0.3 8,-0.3 8,-0.3 -1,-0.0 -0.935 14.8-121.6-117.2 136.1 9.0 -0.3 2.2 4 4 A T - 0 0 43 6,-1.0 7,-0.0 -2,-0.4 -1,-0.0 -0.215 28.3-109.7 -67.8 161.3 11.8 2.2 1.9 5 5 A K S S+ 0 0 199 4,-0.1 2,-0.2 2,-0.1 -1,-0.1 0.057 90.3 94.2 -81.0 27.7 11.6 5.6 3.7 6 6 A S S S- 0 0 50 2,-0.1 -3,-0.0 4,-0.0 0, 0.0 -0.475 81.7 -84.3-109.7-177.4 11.2 7.4 0.3 7 7 A I S S+ 0 0 155 1,-0.5 -2,-0.1 -2,-0.2 3,-0.0 -0.940 124.2 25.8-141.4 115.9 8.2 8.5 -1.7 8 8 A P S S- 0 0 107 0, 0.0 -1,-0.5 0, 0.0 2,-0.1 0.417 109.5-133.4 -70.9 138.9 7.0 6.5 -3.4 9 9 A P - 0 0 62 0, 0.0 2,-1.2 0, 0.0 -4,-0.1 -0.369 14.0-120.4 -62.7 133.9 8.4 4.0 -0.9 10 10 A I - 0 0 93 -2,-0.1 -6,-1.0 1,-0.0 2,-0.7 -0.643 32.2-160.9 -78.8 98.1 10.1 1.0 -2.5 11 11 A a E -A 3 0A 78 -2,-1.2 -8,-0.3 -8,-0.3 -9,-0.1 -0.748 2.7-160.4 -88.8 116.7 8.0 -1.9 -1.1 12 12 A F E -A 2 0A 77 -10,-4.2 -10,-0.7 -2,-0.7 -2,-0.0 -0.703 27.5-119.7 -94.4 145.1 9.8 -5.3 -1.3 13 13 A P 0 0 135 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.803 360.0 360.0 -50.9 -34.1 7.8 -8.6 -1.1 14 14 A D 0 0 150 -13,-0.1 -3,-0.0 -12,-0.1 0, 0.0 0.985 360.0 360.0 -76.6 360.0 9.8 -9.5 2.0