==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTEINASE INHIBITOR (TRYPSIN) 28-AUG-90 2CTI . COMPND 2 MOLECULE: TRYPSIN INHIBITOR; . SOURCE 2 ORGANISM_SCIENTIFIC: CUCURBITA MAXIMA; . AUTHOR T.A.HOLAK,D.GONDOL,J.OTLEWSKI,T.WILUSZ . 29 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 2772.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 14 48.3 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 . 4 13.8 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 3.4 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 13.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 4 13.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 1 3.4 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 . 2 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 R 0 0 268 0, 0.0 2,-1.4 0, 0.0 19,-0.0 0.000 360.0 360.0 360.0 15.2 4.5 6.2 -9.4 2 2 A V + 0 0 104 1,-0.1 17,-2.0 18,-0.1 18,-0.3 -0.602 360.0 128.4 -79.6 96.8 6.9 6.2 -6.5 3 3 A a - 0 0 34 -2,-1.4 3,-0.1 16,-0.2 -1,-0.1 -0.577 46.6-149.9-149.2 80.0 6.0 3.0 -4.7 4 4 A P - 0 0 82 0, 0.0 2,-1.2 0, 0.0 -2,-0.0 -0.079 36.3 -93.7 -50.7 151.8 9.1 0.7 -4.0 5 5 A R + 0 0 239 2,-0.1 2,-0.3 0, 0.0 24,-0.1 -0.563 68.3 142.9 -76.9 97.0 8.3 -3.0 -3.9 6 6 A I - 0 0 109 -2,-1.2 2,-0.8 -3,-0.1 22,-0.0 -0.991 44.8-138.9-135.1 145.1 7.6 -3.9 -0.2 7 7 A L + 0 0 139 -2,-0.3 2,-0.3 22,-0.1 22,-0.1 -0.775 42.3 145.7-108.0 87.1 5.0 -6.3 1.3 8 8 A M - 0 0 67 -2,-0.8 20,-1.5 20,-0.2 -2,-0.1 -0.852 50.9-103.9-114.8 155.5 3.5 -4.7 4.4 9 9 A E B -A 27 0A 144 -2,-0.3 2,-0.3 18,-0.2 18,-0.2 -0.355 39.6-173.6 -73.3 160.3 -0.1 -5.1 5.6 10 10 A b - 0 0 13 16,-2.4 3,-0.1 1,-0.1 4,-0.0 -0.973 28.3-164.7-157.7 141.9 -2.6 -2.2 5.0 11 11 A K S S+ 0 0 188 1,-0.3 2,-0.3 -2,-0.3 -1,-0.1 0.788 83.5 3.3 -94.7 -35.5 -6.2 -1.4 6.1 12 12 A K S >> S- 0 0 128 14,-0.1 3,-1.3 1,-0.1 4,-0.6 -0.956 81.2 -98.8-147.6 163.0 -6.7 1.4 3.5 13 13 A D G >4 S+ 0 0 89 -2,-0.3 3,-1.2 1,-0.3 -1,-0.1 0.868 119.7 55.8 -54.3 -40.3 -4.8 3.1 0.7 14 14 A S G 34 S+ 0 0 81 1,-0.3 -1,-0.3 7,-0.1 6,-0.1 0.786 91.3 74.2 -66.7 -24.0 -3.6 6.0 2.9 15 15 A D G <4 S+ 0 0 58 -3,-1.3 -1,-0.3 2,-0.0 -2,-0.2 0.841 85.2 78.8 -58.0 -31.8 -2.1 3.6 5.4 16 16 A c S << S- 0 0 8 -3,-1.2 6,-0.1 -4,-0.6 -6,-0.0 -0.500 84.7-121.0 -80.2 147.7 0.7 2.9 2.9 17 17 A L S > S+ 0 0 133 -2,-0.2 3,-1.4 2,-0.1 -1,-0.1 -0.225 72.7 7.3 -78.6 172.4 3.6 5.4 2.5 18 18 A A T 3 S- 0 0 70 1,-0.2 -15,-0.2 -15,-0.1 -2,-0.0 -0.017 124.9 -36.2 51.6-157.3 4.5 7.2 -0.7 19 19 A E T 3 S+ 0 0 121 -17,-2.0 -1,-0.2 2,-0.0 -16,-0.2 0.306 102.6 126.4 -80.7 12.1 2.2 6.9 -3.8 20 20 A a < - 0 0 19 -3,-1.4 2,-0.3 -18,-0.3 -4,-0.1 -0.198 43.7-157.2 -69.6 164.8 1.5 3.2 -2.9 21 21 A V - 0 0 60 6,-0.1 8,-1.8 -18,-0.1 2,-0.8 -0.954 27.3 -98.5-139.8 156.9 -2.1 2.0 -2.5 22 22 A b B -B 28 0B 26 -2,-0.3 6,-0.3 6,-0.2 -9,-0.2 -0.673 43.5-155.0 -84.3 108.8 -3.7 -1.0 -0.6 23 23 A L > - 0 0 87 4,-2.7 3,-2.5 -2,-0.8 4,-0.2 -0.159 36.0 -83.4 -77.7 175.2 -4.2 -3.9 -3.2 24 24 A E T 3 S+ 0 0 185 1,-0.3 -1,-0.1 2,-0.2 -2,-0.0 0.788 125.1 62.3 -50.2 -35.3 -6.8 -6.7 -2.9 25 25 A H T 3 S- 0 0 160 2,-0.2 -1,-0.3 1,-0.1 3,-0.1 0.635 118.9-109.3 -69.8 -9.5 -4.6 -8.9 -0.6 26 26 A G S < S+ 0 0 25 -3,-2.5 -16,-2.4 1,-0.4 2,-0.3 0.612 86.2 111.9 87.1 15.7 -4.8 -6.1 1.9 27 27 A Y B S-A 9 0A 92 -4,-0.2 -4,-2.7 -18,-0.2 -1,-0.4 -0.840 73.9 -99.1-117.5 157.0 -1.1 -5.2 1.3 28 28 A c B B 22 0B 6 -20,-1.5 -6,-0.2 -2,-0.3 -20,-0.2 -0.402 360.0 360.0 -71.9 148.1 0.5 -2.2 -0.3 29 29 A G 0 0 37 -8,-1.8 -22,-0.1 -2,-0.1 -1,-0.1 -0.095 360.0 360.0 -72.9 360.0 1.7 -2.3 -3.9