==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SERINE PROTEASE INHIBITOR 28-OCT-94 1TIN . COMPND 2 MOLECULE: TRYPSIN INHIBITOR V; . SOURCE 2 ORGANISM_SCIENTIFIC: CUCURBITA MAXIMA; . AUTHOR M.CAI,Y.GONG,J.KAO,R.KRISHNAMOORTHI . 68 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4764.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 36 52.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 10.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 5.9 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 1.5 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 . 1 1.5 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 . 7 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 5 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 10 14.7 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 1 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 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 PARALLEL BRIDGES PER LADDER . 0 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 ANTIPARALLEL 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 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 S 0 0 186 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -20.0 13.1 -8.7 12.1 2 2 A S - 0 0 73 3,-0.0 3,-0.1 66,-0.0 66,-0.0 -0.994 360.0 -95.6-140.1 132.3 11.1 -6.9 9.4 3 3 A a - 0 0 47 -2,-0.4 2,-0.8 1,-0.2 64,-0.1 -0.212 49.4-113.4 -45.7 115.8 11.5 -6.8 5.6 4 4 A P S S+ 0 0 141 0, 0.0 2,-0.2 0, 0.0 -1,-0.2 -0.385 81.2 90.1 -56.8 99.1 13.5 -3.6 5.1 5 5 A G S S- 0 0 39 -2,-0.8 2,-0.6 63,-0.1 44,-0.1 -0.534 84.2 -15.2-158.6-134.4 11.0 -1.5 3.3 6 6 A K - 0 0 38 42,-0.4 61,-0.5 1,-0.2 3,-0.2 -0.789 49.3-157.1 -90.5 121.6 8.3 1.0 4.2 7 7 A S - 0 0 86 -2,-0.6 60,-1.9 1,-0.2 2,-0.3 0.995 66.7 -36.7 -59.3 -68.7 7.3 0.9 7.8 8 8 A S - 0 0 63 58,-0.2 58,-0.3 0, 0.0 -1,-0.2 -0.951 56.5-121.2-160.2 138.2 3.8 2.4 7.5 9 9 A W - 0 0 8 -2,-0.3 3,-0.2 56,-0.3 15,-0.0 -0.458 29.1-121.4 -79.9 155.7 2.2 5.1 5.4 10 10 A P S S- 0 0 83 0, 0.0 2,-1.2 0, 0.0 3,-0.3 0.617 72.5 -29.0 -66.6-133.7 0.5 8.1 7.0 11 11 A H S S+ 0 0 163 1,-0.2 3,-0.0 3,-0.0 9,-0.0 -0.720 85.5 129.8 -90.6 91.9 -3.2 8.8 6.3 12 12 A L > + 0 0 2 -2,-1.2 3,-1.7 51,-0.3 8,-0.2 0.780 41.4 90.1-109.2 -43.5 -3.7 7.3 2.8 13 13 A V T 3 S+ 0 0 46 50,-0.5 49,-0.2 -3,-0.3 42,-0.1 -0.381 96.5 27.1 -57.4 121.4 -6.8 5.1 3.1 14 14 A G T 3 S+ 0 0 35 -2,-0.2 -1,-0.3 -3,-0.0 3,-0.1 0.558 102.1 87.5 101.0 11.5 -9.8 7.4 2.3 15 15 A V S < S- 0 0 76 -3,-1.7 4,-0.2 1,-0.2 -2,-0.1 0.081 107.4 -74.2-127.9 22.4 -7.8 9.8 0.1 16 16 A G > - 0 0 28 3,-0.1 4,-2.1 2,-0.1 -1,-0.2 0.388 35.7-115.0 92.8 131.1 -8.1 8.0 -3.2 17 17 A G H > S+ 0 0 6 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.947 114.3 55.3 -65.2 -48.1 -6.3 4.9 -4.2 18 18 A S H > S+ 0 0 87 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.938 108.9 47.7 -49.7 -54.4 -4.3 6.6 -7.0 19 19 A V H > S+ 0 0 71 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.956 112.6 47.7 -52.7 -56.3 -3.0 9.2 -4.5 20 20 A A H X S+ 0 0 0 -4,-2.1 4,-1.5 1,-0.2 -1,-0.2 0.884 109.0 56.5 -53.1 -40.0 -2.0 6.5 -2.0 21 21 A K H >X S+ 0 0 66 -4,-3.1 4,-1.9 1,-0.2 3,-0.7 0.948 105.9 48.8 -57.9 -50.2 -0.4 4.6 -4.8 22 22 A A H 3X S+ 0 0 57 -4,-2.4 4,-3.0 1,-0.3 5,-0.2 0.901 108.6 53.9 -57.0 -41.8 1.9 7.6 -5.7 23 23 A I H 3X S+ 0 0 51 -4,-2.2 4,-2.5 1,-0.2 -1,-0.3 0.801 105.5 56.0 -63.3 -27.5 2.8 7.9 -2.0 24 24 A I H < + 0 0 17 -4,-2.7 3,-1.6 -5,-0.2 -1,-0.2 -0.550 62.4 174.3-146.2 76.0 9.4 3.5 -1.4 29 29 A P T 3 S+ 0 0 87 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 0.567 80.6 67.5 -58.3 -8.9 10.1 3.5 -5.1 30 30 A N T 3 S+ 0 0 131 2,-0.1 2,-0.2 -5,-0.1 -5,-0.1 0.837 92.5 64.0 -82.8 -33.9 11.7 0.1 -4.5 31 31 A V S < S- 0 0 4 -3,-1.6 2,-0.3 -7,-0.3 19,-0.3 -0.639 88.4-119.2 -89.9 149.3 8.4 -1.6 -3.6 32 32 A K E -a 50 0A 100 17,-2.0 19,-1.9 -2,-0.2 2,-0.4 -0.692 23.0-144.0 -88.0 139.2 5.7 -2.0 -6.2 33 33 A A E -a 51 0A 6 -2,-0.3 2,-0.3 17,-0.2 19,-0.3 -0.837 18.6-175.0-103.7 140.6 2.3 -0.3 -5.5 34 34 A V E -a 52 0A 35 17,-1.5 19,-0.7 -2,-0.4 2,-0.3 -0.834 11.4-155.0-128.5 167.5 -1.0 -1.9 -6.6 35 35 A I E +a 53 0A 69 -2,-0.3 2,-0.3 17,-0.2 19,-0.2 -0.966 27.5 136.5-146.5 127.0 -4.7 -0.9 -6.5 36 36 A L E -a 54 0A 51 17,-2.9 19,-0.7 -2,-0.3 2,-0.2 -0.972 48.8 -92.5-160.1 168.6 -7.8 -3.1 -6.4 37 37 A E E -a 55 0A 140 -2,-0.3 3,-0.3 17,-0.3 19,-0.2 -0.520 66.2 -68.2 -86.5 158.2 -11.2 -3.6 -4.8 38 38 A E S S+ 0 0 135 17,-1.7 -1,-0.2 -2,-0.2 2,-0.1 -0.180 97.8 93.0 -44.2 124.9 -11.6 -5.7 -1.7 39 39 A G + 0 0 40 1,-0.3 -1,-0.1 -3,-0.1 3,-0.1 -0.349 50.2 73.1-174.4 -98.1 -11.0 -9.3 -2.9 40 40 A T S S- 0 0 91 -3,-0.3 -1,-0.3 -2,-0.1 -4,-0.0 -0.196 81.2-132.4 -44.7 103.4 -7.7 -11.2 -2.9 41 41 A P - 0 0 118 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.236 25.4-164.5 -59.5 147.8 -7.6 -11.9 0.9 42 42 A V + 0 0 53 -3,-0.1 2,-0.2 4,-0.0 4,-0.1 -0.979 22.0 136.1-137.9 150.5 -4.3 -11.1 2.6 43 43 A T S S- 0 0 108 2,-1.2 0, 0.0 -2,-0.3 0, 0.0 -0.568 73.2 -11.3-157.9-138.1 -2.7 -12.0 6.0 44 44 A K S S+ 0 0 206 -2,-0.2 2,-0.5 24,-0.0 -2,-0.0 0.864 121.7 72.1 -44.9 -40.8 0.6 -13.2 7.4 45 45 A D + 0 0 119 23,-0.1 -2,-1.2 2,-0.0 2,-0.3 -0.679 69.2 132.8 -80.9 124.0 1.6 -13.8 3.8 46 46 A F - 0 0 37 -2,-0.5 2,-0.9 -4,-0.1 3,-0.1 -0.970 61.3 -93.3-160.4 168.6 2.3 -10.5 2.0 47 47 A R > - 0 0 92 -2,-0.3 3,-1.8 3,-0.2 5,-0.1 -0.807 27.7-168.4 -94.5 104.3 4.7 -8.7 -0.3 48 48 A a T 3 S+ 0 0 37 -2,-0.9 -42,-0.4 1,-0.3 -1,-0.2 0.895 92.1 47.7 -57.3 -40.6 7.1 -6.7 1.9 49 49 A N T 3 S+ 0 0 72 -3,-0.1 -17,-2.0 -44,-0.1 2,-0.3 -0.048 108.4 70.4 -90.3 33.7 8.4 -4.9 -1.2 50 50 A R E < -a 32 0A 97 -3,-1.8 2,-0.6 -19,-0.3 -17,-0.2 -0.940 58.6-165.6-151.6 126.2 4.9 -4.3 -2.4 51 51 A V E -a 33 0A 4 -19,-1.9 -17,-1.5 -2,-0.3 2,-0.1 -0.906 15.6-165.9-115.8 104.6 2.2 -1.9 -1.1 52 52 A R E -a 34 0A 56 -2,-0.6 2,-0.4 -19,-0.3 -17,-0.2 -0.407 10.2-143.8 -84.1 164.3 -1.3 -2.7 -2.5 53 53 A I E -a 35 0A 0 -19,-0.7 -17,-2.9 10,-0.2 10,-0.3 -0.942 13.2-159.0-131.4 110.0 -4.3 -0.3 -2.2 54 54 A W E -aB 36 62A 16 8,-1.6 8,-3.2 -2,-0.4 2,-0.4 -0.395 3.5-155.1 -83.9 165.5 -7.7 -1.8 -1.8 55 55 A V E -aB 37 61A 40 -19,-0.7 -17,-1.7 6,-0.3 2,-0.5 -0.984 3.0-151.4-143.7 129.6 -11.0 0.0 -2.6 56 56 A N E >> - B 0 60A 37 4,-2.5 3,-2.5 -2,-0.4 4,-1.8 -0.886 22.5-131.4-104.8 129.6 -14.4 -0.5 -1.2 57 57 A K T 34 S+ 0 0 198 -2,-0.5 -1,-0.1 1,-0.3 4,-0.1 0.718 95.7 94.2 -47.4 -19.4 -17.5 0.3 -3.3 58 58 A R T 34 S- 0 0 214 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.687 117.2 -98.1 -49.1 -14.6 -18.5 2.1 -0.1 59 59 A G T <4 S+ 0 0 61 -3,-2.5 2,-0.3 1,-0.3 -2,-0.2 0.790 92.6 91.1 99.8 36.7 -16.9 5.0 -2.0 60 60 A L E < -B 56 0A 96 -4,-1.8 -4,-2.5 -45,-0.0 -1,-0.3 -0.989 68.0-117.4-158.7 154.3 -13.5 5.0 -0.3 61 61 A V E -B 55 0A 14 -2,-0.3 -6,-0.3 -6,-0.2 -24,-0.1 -0.316 13.8-159.9 -87.0 175.1 -10.0 3.5 -0.7 62 62 A V E +B 54 0A 47 -8,-3.2 -8,-1.6 -49,-0.2 -7,-0.1 -0.374 17.9 166.9-155.4 66.5 -8.3 1.2 1.7 63 63 A S - 0 0 2 -10,-0.3 -50,-0.5 -47,-0.1 -51,-0.3 -0.799 40.7-124.3 -90.3 112.4 -4.5 1.2 1.3 64 64 A P - 0 0 29 0, 0.0 2,-1.0 0, 0.0 -55,-0.1 -0.384 16.2-155.4 -57.4 101.1 -2.9 -0.6 4.2 65 65 A P S S+ 0 0 33 0, 0.0 2,-0.3 0, 0.0 -56,-0.3 0.040 72.7 73.2 -68.8 29.5 -0.5 2.1 5.4 66 66 A R - 0 0 178 -2,-1.0 -58,-0.2 -58,-0.3 2,-0.2 -0.979 63.9-159.9-148.6 133.6 1.5 -0.7 7.0 67 67 A I 0 0 25 -60,-1.9 -19,-0.1 -61,-0.5 -16,-0.1 -0.600 360.0 360.0-106.8 170.9 3.8 -3.4 5.5 68 68 A G 0 0 64 -2,-0.2 -1,-0.2 -21,-0.1 -63,-0.1 0.576 360.0 360.0 -82.7 360.0 4.9 -6.7 7.0