==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTEIN INHIBITOR 15-JUL-91 2ETI . COMPND 2 MOLECULE: TRYPSIN INHIBITOR II; . SOURCE 2 ORGANISM_SCIENTIFIC: ECBALLIUM ELATERIUM; . AUTHOR A.HEITZ,L.CHICHE,D.LE-NGUYEN,B.CASTRO . 28 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 2182.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 9 32.1 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 7.1 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 . 1 3.6 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 . 4 14.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 2 7.1 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 86 0, 0.0 15,-0.1 0, 0.0 18,-0.0 0.000 360.0 360.0 360.0-151.5 9.7 -1.2 -1.9 2 2 A a + 0 0 22 16,-0.1 4,-0.2 15,-0.1 25,-0.2 0.955 360.0 46.3 -65.0 -61.0 6.4 -2.2 -0.2 3 3 A P S S+ 0 0 60 0, 0.0 25,-0.2 0, 0.0 16,-0.0 -0.219 78.6 76.0 -70.8 176.6 6.2 -0.1 2.9 4 4 A R S S- 0 0 188 23,-0.2 2,-0.9 1,-0.1 23,-0.1 0.613 94.9 -79.8 75.6 127.2 6.9 3.7 3.0 5 5 A I S S+ 0 0 118 1,-0.2 3,-0.1 21,-0.1 -1,-0.1 -0.426 95.3 89.4 -87.5 97.8 4.1 5.8 1.6 6 6 A L + 0 0 127 -2,-0.9 2,-0.4 -4,-0.2 -1,-0.2 0.027 66.6 80.7-163.5 32.7 3.8 6.1 -2.2 7 7 A M S S- 0 0 25 20,-0.1 20,-1.3 -5,-0.1 2,-0.7 -0.905 71.8-158.7-136.6 104.1 1.6 3.2 -3.3 8 8 A R - 0 0 158 -2,-0.4 18,-0.3 6,-0.2 2,-0.2 -0.819 17.5-160.4-105.6 107.0 -1.8 4.7 -2.4 9 9 A b + 0 0 15 -2,-0.7 -2,-0.0 1,-0.2 13,-0.0 -0.558 53.9 160.4 -97.5 158.3 -4.4 2.1 -2.0 10 10 A K S S+ 0 0 184 -2,-0.2 -1,-0.2 15,-0.0 16,-0.1 0.246 104.4 7.9-104.3 -13.0 -7.9 1.1 -1.8 11 11 A Q S S- 0 0 115 -3,-0.1 2,-1.1 14,-0.1 -2,-0.0 0.311 88.7-106.4-151.9 17.7 -6.8 -2.5 -2.4 12 12 A D S > S+ 0 0 78 1,-0.2 3,-2.3 8,-0.1 7,-0.1 0.030 110.1 88.4 60.4 -27.0 -3.2 -3.7 -2.3 13 13 A S T 3 S+ 0 0 90 -2,-1.1 -1,-0.2 1,-0.3 4,-0.1 0.872 76.3 68.4 -59.9 -34.3 -3.7 -4.0 -6.1 14 14 A D T 3 S+ 0 0 43 -7,-0.1 -1,-0.3 2,-0.0 -6,-0.2 0.565 104.6 55.3 -46.5 -17.5 -2.5 -0.4 -5.8 15 15 A c S < S- 0 0 22 -3,-2.3 2,-0.3 4,-0.2 4,-0.1 -0.592 91.2 -92.1-124.6 174.2 0.9 -1.8 -4.8 16 16 A L - 0 0 80 -2,-0.2 -2,-0.0 1,-0.2 -1,-0.0 -0.663 61.0 -93.4 -80.0 142.5 3.8 -4.1 -5.7 17 17 A A S S+ 0 0 95 -2,-0.3 -1,-0.2 1,-0.2 3,-0.1 0.083 111.0 59.1 -62.4 175.2 3.3 -7.7 -4.3 18 18 A G S S+ 0 0 78 1,-0.2 2,-0.3 -3,-0.1 -1,-0.2 0.822 99.7 99.9 58.5 32.5 4.7 -8.7 -0.9 19 19 A a - 0 0 12 -4,-0.1 2,-0.3 -17,-0.1 -1,-0.2 -0.966 52.4-173.2-147.6 132.5 2.4 -5.8 0.1 20 20 A V - 0 0 111 -2,-0.3 8,-2.3 -3,-0.1 2,-0.2 -0.925 25.1-127.5-119.7 145.8 -1.1 -5.6 1.6 21 21 A b B +A 27 0A 39 -2,-0.3 6,-0.3 6,-0.2 -13,-0.1 -0.598 47.3 119.3 -97.2 155.9 -2.9 -2.2 2.0 22 22 A G > + 0 0 45 4,-2.6 3,-0.8 -2,-0.2 5,-0.1 0.058 42.6 76.1-159.3 -73.0 -4.6 -0.6 4.9 23 23 A P T 3 S- 0 0 101 0, 0.0 2,-1.4 0, 0.0 4,-0.1 0.849 105.9 -18.7 -42.5-122.2 -3.8 2.8 6.5 24 24 A N T 3 S- 0 0 151 1,-0.1 3,-0.1 3,-0.1 0, 0.0 -0.397 124.2 -60.0 -84.6 52.6 -4.5 6.4 5.3 25 25 A G S < S+ 0 0 27 -2,-1.4 2,-0.3 -3,-0.8 -1,-0.1 0.937 113.4 117.2 62.2 50.8 -5.0 4.8 1.9 26 26 A F - 0 0 46 -18,-0.3 -4,-2.6 2,-0.1 -1,-0.3 -0.923 59.6-116.5-138.6 166.2 -1.4 3.4 1.8 27 27 A c B A 21 0A 2 -20,-1.3 -6,-0.2 -2,-0.3 -23,-0.2 -0.706 360.0 360.0 -98.4 147.8 0.3 0.1 1.6 28 28 A G 0 0 64 -8,-2.3 -2,-0.1 -2,-0.3 -6,-0.1 -0.275 360.0 360.0 68.9 360.0 2.6 -1.7 4.1