==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE (SERINE PROTEINASE) 12-JUN-95 1HYM . COMPND 2 MOLECULE: HYDROLYZED CUCURBITA MAXIMA TRYPSIN INHIBITOR V; . SOURCE 2 ORGANISM_SCIENTIFIC: CUCURBITA MAXIMA; . AUTHOR M.CAI,Y.GONG,O.PRAKASH,R.KRISHNAMOORTHI . 68 2 1 0 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5086.0 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 . 6 8.8 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 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 1.5 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 . 1 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 0 174 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 175.2 -16.8 14.4 -2.1 2 2 A S - 0 0 112 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.998 360.0-116.0-141.9 144.1 -15.0 11.3 -3.2 3 3 A a - 0 0 55 -2,-0.3 4,-0.2 1,-0.1 0, 0.0 -0.714 34.6-141.1 -83.1 115.0 -11.3 10.4 -3.5 4 4 A P + 0 0 108 0, 0.0 -1,-0.1 0, 0.0 24,-0.0 0.230 65.0 58.6 -57.0-170.7 -10.5 9.8 -7.2 5 5 A G S S- 0 0 36 1,-0.1 2,-0.7 22,-0.1 23,-0.1 0.278 117.2 -39.1 63.4 158.4 -8.1 7.0 -8.2 6 6 A K - 0 0 75 1,-0.2 3,-0.2 18,-0.1 -1,-0.1 -0.337 60.6-173.8 -53.8 100.0 -8.9 3.3 -7.3 7 7 A S S S+ 0 0 65 -2,-0.7 61,-0.9 1,-0.3 2,-0.4 0.769 77.7 28.6 -70.1 -24.1 -10.2 4.0 -3.8 8 8 A S B S-A 67 0A 63 59,-0.2 -1,-0.3 -3,-0.1 59,-0.2 -0.890 78.0-160.8-140.4 108.0 -10.4 0.2 -3.3 9 9 A W - 0 0 23 57,-2.7 15,-0.0 -2,-0.4 -2,-0.0 -0.285 25.8-108.8 -80.7 171.8 -8.0 -2.2 -5.0 10 10 A P - 0 0 52 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.822 56.1 -75.1 -66.6-114.0 -8.7 -5.9 -5.5 11 11 A H + 0 0 149 54,-0.1 2,-0.0 2,-0.1 52,-0.0 -0.372 54.3 160.3-155.0 67.8 -6.4 -8.2 -3.4 12 12 A L > + 0 0 46 52,-0.1 3,-2.6 2,-0.1 8,-0.2 0.048 27.2 155.5 -80.0 29.7 -2.9 -8.5 -4.7 13 13 A V T 3 S+ 0 0 65 1,-0.3 50,-0.2 51,-0.1 43,-0.1 -0.345 70.6 13.8 -58.1 133.4 -1.9 -9.7 -1.3 14 14 A G T 3 S+ 0 0 30 48,-2.6 2,-0.9 1,-0.1 -1,-0.3 0.405 93.1 120.9 80.3 -4.7 1.3 -11.8 -1.6 15 15 A V S < S- 0 0 60 -3,-2.6 5,-0.4 47,-0.4 -1,-0.1 -0.162 92.5 -83.2 -84.3 43.1 1.7 -10.4 -5.1 16 16 A G > - 0 0 30 -2,-0.9 4,-2.2 3,-0.2 -1,-0.2 0.623 36.3-115.5 64.1 130.1 5.1 -8.9 -4.1 17 17 A G H > S+ 0 0 7 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.973 115.7 50.5 -62.7 -54.6 5.1 -5.5 -2.4 18 18 A S H > S+ 0 0 89 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.914 109.0 53.7 -49.4 -48.0 6.9 -3.7 -5.2 19 19 A V H >> S+ 0 0 70 1,-0.2 4,-1.8 2,-0.2 3,-1.1 0.961 109.9 45.3 -52.5 -58.2 4.4 -5.2 -7.7 20 20 A A H 3X S+ 0 0 3 -4,-2.2 4,-2.9 -5,-0.4 5,-0.3 0.885 109.0 57.9 -53.7 -39.7 1.4 -3.9 -5.7 21 21 A K H 3X S+ 0 0 78 -4,-2.8 4,-2.8 1,-0.2 -1,-0.3 0.843 104.6 52.2 -60.1 -32.5 3.2 -0.5 -5.4 22 22 A A H < + 0 0 17 -4,-2.9 3,-2.1 -5,-0.2 -1,-0.3 -0.663 64.7 175.0-125.4 76.9 -3.1 6.8 -8.4 29 29 A P T 3 S+ 0 0 94 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.444 79.9 65.4 -59.3 1.2 0.1 8.5 -9.5 30 30 A N T 3 S+ 0 0 142 2,-0.0 2,-0.4 -3,-0.0 -5,-0.1 0.144 94.2 67.3-110.6 18.3 -0.8 11.1 -6.8 31 31 A V < - 0 0 9 -3,-2.1 20,-0.2 -6,-0.2 2,-0.2 -0.997 65.3-149.5-139.1 143.2 -0.4 8.8 -3.8 32 32 A K E -b 51 0B 143 18,-2.0 20,-2.8 -2,-0.4 2,-0.3 -0.605 11.3-141.5-105.7 169.6 2.6 7.1 -2.3 33 33 A A E -b 52 0B 9 18,-0.2 2,-0.4 -2,-0.2 20,-0.2 -0.894 3.0-147.5-129.0 160.1 2.8 3.8 -0.4 34 34 A V E -b 53 0B 59 18,-2.8 20,-2.6 -2,-0.3 2,-0.4 -0.994 11.2-139.6-131.3 130.9 4.8 2.6 2.6 35 35 A I E +b 54 0B 106 -2,-0.4 2,-0.3 18,-0.2 20,-0.2 -0.724 33.2 159.0 -88.8 135.2 6.1 -0.9 3.3 36 36 A L E -b 55 0B 41 18,-2.5 20,-1.0 -2,-0.4 -2,-0.0 -0.992 34.2-121.1-153.3 151.0 5.8 -2.2 6.8 37 37 A E E -b 56 0B 132 -2,-0.3 20,-0.2 18,-0.3 2,-0.2 -0.063 42.9 -86.3 -80.2-171.8 5.8 -5.6 8.6 38 38 A E + 0 0 115 18,-0.9 -1,-0.1 1,-0.1 20,-0.0 -0.547 66.7 119.6 -94.9 164.3 2.9 -6.9 10.7 39 39 A G + 0 0 67 1,-0.7 -1,-0.1 -2,-0.2 3,-0.0 -0.036 54.3 74.9 176.1 -56.6 2.4 -6.3 14.4 40 40 A T S S- 0 0 89 1,-0.1 -1,-0.7 0, 0.0 2,-0.5 -0.508 97.0 -87.8 -80.1 150.9 -0.9 -4.5 15.2 41 41 A P - 0 0 132 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.413 55.9-171.9 -58.2 106.8 -4.1 -6.5 15.1 42 42 A V - 0 0 53 -2,-0.5 2,-0.1 1,-0.1 -4,-0.0 -0.659 44.1 -66.5-101.9 161.0 -5.2 -6.1 11.5 43 43 A T 0 0 132 -2,-0.2 -1,-0.1 1,-0.0 0, 0.0 -0.215 360.0 360.0 -45.2 105.4 -8.5 -7.3 9.9 44 44 A K 0 0 250 -2,-0.1 -1,-0.0 -3,-0.0 0, 0.0 0.320 360.0 360.0 -62.9 360.0 -8.1 -11.0 10.4 45 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 46 45 B D 0 0 119 0, 0.0 2,-1.0 0, 0.0 23,-0.0 0.000 360.0 360.0 360.0 71.3 -2.1 9.8 9.1 47 46 B F + 0 0 132 22,-0.1 2,-0.1 2,-0.0 22,-0.1 -0.765 360.0 159.9-100.6 89.8 -3.8 7.5 6.6 48 47 B R > - 0 0 136 -2,-1.0 3,-1.9 20,-0.1 0, 0.0 -0.458 60.0 -93.9-101.0 177.4 -5.1 9.8 3.9 49 48 B a T 3 S+ 0 0 41 1,-0.3 3,-0.1 -2,-0.1 -1,-0.0 0.455 125.5 60.0 -70.1 3.1 -6.1 9.0 0.3 50 49 B N T 3 S+ 0 0 70 1,-0.1 -18,-2.0 -19,-0.1 2,-0.4 0.221 97.7 64.4-112.8 12.4 -2.5 10.0 -0.6 51 50 B R E < -b 32 0B 87 -3,-1.9 2,-0.5 -20,-0.2 -18,-0.2 -0.950 60.6-168.0-139.7 117.9 -0.8 7.3 1.6 52 51 B V E -b 33 0B 0 -20,-2.8 -18,-2.8 -2,-0.4 2,-0.4 -0.916 10.8-152.2-107.8 125.5 -1.1 3.6 1.1 53 52 B R E -b 34 0B 54 -2,-0.5 2,-0.5 15,-0.4 -18,-0.2 -0.786 7.9-164.8 -96.6 138.2 0.1 1.3 3.8 54 53 B I E -b 35 0B 1 -20,-2.6 -18,-2.5 -2,-0.4 10,-0.2 -0.978 4.1-156.3-124.9 122.1 1.4 -2.2 2.9 55 54 B W E -bC 36 63B 50 8,-1.9 8,-0.5 -2,-0.5 2,-0.4 -0.658 4.4-158.3 -94.4 152.5 1.8 -4.9 5.6 56 55 B V E -bC 37 62B 22 -20,-1.0 -18,-0.9 6,-0.3 2,-0.5 -0.985 7.7-145.4-133.7 123.8 4.2 -7.9 5.1 57 56 B N E >> - C 0 61B 9 4,-1.5 3,-2.6 -2,-0.4 4,-2.0 -0.755 21.5-129.0 -89.0 128.3 4.0 -11.2 7.0 58 57 B K T 34 S+ 0 0 195 -2,-0.5 -1,-0.1 1,-0.3 4,-0.0 0.740 99.7 90.2 -45.1 -22.2 7.3 -12.8 7.7 59 58 B R T 34 S- 0 0 185 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.639 120.2 -97.4 -52.0 -10.0 5.7 -15.8 6.2 60 59 B G T <4 S+ 0 0 63 -3,-2.6 2,-0.3 1,-0.4 -2,-0.2 0.783 90.6 109.3 96.8 33.3 7.2 -14.3 3.0 61 60 B L E < -C 57 0B 78 -4,-2.0 -4,-1.5 -46,-0.1 2,-0.7 -0.947 65.0-127.2-138.4 159.0 4.1 -12.5 1.7 62 61 B V E -C 56 0B 21 -2,-0.3 -48,-2.6 -6,-0.3 2,-1.7 -0.877 16.1-160.6-110.5 101.7 3.0 -8.9 1.4 63 62 B V E -C 55 0B 31 -2,-0.7 -8,-1.9 -8,-0.5 -50,-0.1 -0.595 17.9-178.4 -80.6 85.3 -0.4 -8.3 3.0 64 63 B S - 0 0 9 -2,-1.7 -10,-0.2 -10,-0.2 -51,-0.1 -0.776 31.9-115.2 -90.1 123.0 -1.3 -5.1 1.3 65 64 B P - 0 0 33 0, 0.0 -56,-0.2 0, 0.0 -53,-0.1 -0.339 15.5-135.5 -56.4 125.5 -4.7 -3.7 2.4 66 65 B P S S+ 0 0 55 0, 0.0 -57,-2.7 0, 0.0 2,-0.2 0.709 90.8 48.7 -56.3 -21.7 -7.1 -3.7 -0.5 67 66 B R B S-A 8 0A 162 -59,-0.2 -14,-0.2 1,-0.2 -59,-0.2 -0.673 83.6-125.6-115.1 172.1 -8.1 -0.2 0.5 68 67 B I 0 0 17 -61,-0.9 -15,-0.4 -2,-0.2 -1,-0.2 0.860 360.0 360.0 -81.8 -96.7 -6.1 2.9 1.4 69 68 B G 0 0 80 -22,-0.1 -22,-0.1 -17,-0.1 -1,-0.1 -0.013 360.0 360.0 -96.2 360.0 -6.9 4.4 4.8