==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 29-JUL-05 2BY5 . COMPND 2 MOLECULE: CATIONIC TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR H.-K.S.LEIROS,J.TIMMINS,R.B.G.RAVELLI,S.M.MCSWEENEY . 223 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9195.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 136 61.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 72 32.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 14 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 14 6.3 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 1 0 1 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 . 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 PARALLEL BRIDGES PER LADDER . 4 1 3 5 2 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 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 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 16 X I 0 0 2 0, 0.0 2,-0.5 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 120.4 35.3 20.6 18.9 2 17 X V B +A 171 0A 9 169,-3.0 169,-1.9 1,-0.2 123,-0.1 -0.881 360.0 6.0 -98.7 132.1 37.5 19.8 15.9 3 18 X G S S+ 0 0 46 121,-0.5 -1,-0.2 -2,-0.5 169,-0.1 0.667 102.7 117.6 72.8 22.0 39.1 22.7 14.0 4 19 X G - 0 0 38 -3,-0.3 2,-0.3 167,-0.1 134,-0.2 0.056 57.9-110.2 -97.7-154.9 38.0 25.3 16.4 5 20 X Y E -B 137 0B 99 132,-2.5 132,-2.7 -3,-0.1 2,-0.5 -0.936 35.2 -87.2-140.6 158.5 39.7 27.8 18.8 6 21 X T E -B 136 0B 73 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.583 37.1-151.2 -69.5 120.7 40.1 28.4 22.5 7 22 X a - 0 0 17 128,-2.1 -1,-0.2 -2,-0.5 129,-0.1 0.905 34.9-114.3 -60.6 -46.6 37.1 30.4 23.5 8 23 X G > - 0 0 25 127,-0.5 3,-1.8 -3,-0.1 4,-0.3 -0.001 46.4 -58.5 106.5 140.6 38.7 32.2 26.4 9 24 X A T 3 S- 0 0 43 1,-0.3 44,-0.1 2,-0.1 43,-0.0 -0.236 117.4 -9.5 -60.3 127.6 37.6 31.8 30.0 10 25 X N T 3 S+ 0 0 23 42,-0.4 -1,-0.3 2,-0.1 43,-0.1 0.674 92.1 124.2 60.8 25.6 34.0 32.6 30.7 11 26 X T S < S+ 0 0 85 -3,-1.8 -2,-0.1 1,-0.2 -1,-0.1 0.549 74.6 50.5 -87.2 -7.8 33.4 34.1 27.3 12 27 X V S > S+ 0 0 7 -4,-0.3 3,-2.0 87,-0.1 -1,-0.2 -0.770 74.7 176.0-127.0 76.2 30.5 31.7 26.7 13 28 X P T 3 S+ 0 0 29 0, 0.0 88,-1.5 0, 0.0 38,-0.4 0.641 72.1 55.0 -74.1 -11.9 28.7 32.3 30.0 14 29 X Y T 3 S+ 0 0 19 86,-0.2 15,-2.4 88,-0.1 2,-0.4 0.443 81.9 110.6 -92.2 -8.7 25.7 30.0 29.3 15 30 X Q E < -J 28 0C 5 -3,-2.0 37,-0.4 13,-0.2 36,-0.3 -0.611 47.5-175.0 -72.7 128.7 27.9 26.9 28.6 16 31 X V E -J 27 0C 1 11,-2.7 11,-1.2 -2,-0.4 2,-0.5 -0.810 20.4-138.9-119.0 157.5 27.6 24.3 31.3 17 32 X S E -JK 26 49C 1 32,-2.3 32,-2.7 -2,-0.3 2,-0.5 -0.975 15.2-142.4-108.8 130.1 29.4 21.0 31.8 18 33 X L E -JK 25 48C 0 7,-3.0 6,-2.6 -2,-0.5 7,-0.9 -0.847 24.9-168.0 -91.7 126.4 27.3 18.0 33.0 19 34 X N E +JK 23 47C 17 28,-2.7 28,-2.7 -2,-0.5 4,-0.2 -0.965 31.1 167.1-125.5 132.1 29.3 16.0 35.5 20 37 X S S S- 0 0 32 2,-2.2 3,-0.1 -2,-0.4 26,-0.1 -0.310 98.0 -45.5-129.3 47.4 28.8 12.5 36.9 21 38 X G S S+ 0 0 69 26,-0.1 2,-0.3 1,-0.0 -2,-0.1 0.175 140.8 27.0 103.7 -9.2 32.2 12.1 38.4 22 39 X Y S S- 0 0 130 -4,-0.0 -2,-2.2 0, 0.0 2,-0.3 -0.940 102.8 -79.2-172.2 153.2 33.6 13.4 35.1 23 40 X H E +J 19 0C 36 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.539 51.7 158.4 -61.5 133.0 32.5 15.7 32.3 24 41 X F E + 0 0 34 -6,-2.6 2,-0.3 1,-0.4 151,-0.2 0.528 57.5 3.1-133.3 -12.1 30.1 13.8 29.9 25 42 X b E -J 18 0C 7 -7,-0.9 -7,-3.0 151,-0.1 -1,-0.4 -0.979 61.5-119.6-166.3 156.6 28.1 16.4 28.0 26 43 X G E +J 17 0C 0 151,-2.9 12,-0.4 -2,-0.3 2,-0.3 -0.463 28.5 176.2 -88.6 177.6 27.5 20.0 27.5 27 44 X G E -J 16 0C 0 -11,-1.2 -11,-2.7 -2,-0.2 2,-0.4 -0.958 24.9-116.5-169.6 175.4 24.3 22.0 28.2 28 45 X S E -JL 15 36C 0 8,-2.6 8,-2.8 -2,-0.3 2,-0.5 -0.990 19.2-130.8-129.9 126.8 23.0 25.6 28.1 29 46 X L E + L 0 35C 0 -15,-2.4 74,-2.4 -2,-0.4 6,-0.2 -0.658 27.7 172.7 -76.8 123.1 21.7 27.7 31.0 30 47 X I E - 0 0 19 4,-2.6 2,-0.3 -2,-0.5 75,-0.2 0.577 66.7 -8.0-111.8 -11.2 18.3 29.2 30.0 31 48 X N E > S- L 0 34C 49 3,-1.2 3,-0.6 70,-0.1 -1,-0.3 -0.917 89.3 -79.1-164.1-177.4 17.3 30.7 33.4 32 49 X S T 3 S+ 0 0 41 -2,-0.3 62,-3.3 1,-0.2 60,-0.1 0.694 128.5 31.1 -64.5 -20.0 18.6 30.6 36.9 33 50 X Q T 3 S+ 0 0 73 60,-0.2 57,-3.0 1,-0.1 2,-0.4 0.476 110.0 66.5-111.8 -12.5 17.1 27.2 37.5 34 51 X W E < -LM 31 89C 0 -3,-0.6 -4,-2.6 55,-0.2 -3,-1.2 -0.961 47.7-168.0-135.0 138.0 17.1 25.3 34.2 35 52 X V E -LM 29 88C 0 53,-2.7 53,-2.6 -2,-0.4 2,-0.4 -0.948 14.1-145.6-118.9 138.3 19.5 23.9 31.7 36 53 X V E +LM 28 87C 0 -8,-2.8 -8,-2.6 -2,-0.4 2,-0.2 -0.877 34.4 147.7 -96.7 135.0 18.8 22.6 28.1 37 54 X S E - M 0 86C 0 49,-2.6 49,-2.2 -2,-0.4 2,-0.3 -0.787 49.7 -70.4-146.6-170.4 20.8 19.6 26.9 38 55 X A > - 0 0 0 -12,-0.4 3,-1.7 47,-0.3 47,-0.3 -0.748 31.5-132.6 -87.5 144.2 20.4 16.6 24.6 39 56 X A G > S+ 0 0 3 -2,-0.3 3,-2.2 1,-0.3 -1,-0.1 0.820 107.5 65.7 -60.2 -32.1 18.1 13.7 25.6 40 57 X H G 3 S+ 0 0 63 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.653 92.9 63.1 -69.5 -7.4 20.9 11.3 24.7 41 58 X b G < S+ 0 0 3 -3,-1.7 -1,-0.3 -15,-0.1 -2,-0.2 0.386 77.4 133.1 -89.3 1.5 22.9 12.9 27.6 42 59 X Y < + 0 0 133 -3,-2.2 2,-0.3 -4,-0.1 -3,-0.0 -0.266 19.1 134.6 -59.0 134.3 20.3 11.6 30.1 43 60 X K - 0 0 55 3,-0.0 3,-0.3 0, 0.0 2,-0.1 -0.936 51.0-103.8-162.3 163.9 21.6 9.9 33.2 44 61 X S S S+ 0 0 93 -2,-0.3 25,-0.0 1,-0.2 0, 0.0 -0.465 94.6 38.9 -83.2 161.8 20.8 10.1 36.9 45 62 X G S S+ 0 0 67 1,-0.2 2,-0.4 -2,-0.1 -1,-0.2 0.893 74.2 171.7 72.1 37.2 23.1 11.9 39.4 46 63 X I - 0 0 8 -3,-0.3 21,-2.8 -26,-0.1 2,-0.5 -0.699 20.1-163.2 -80.9 133.3 24.0 14.9 37.3 47 64 X Q E -KN 19 66C 48 -28,-2.7 -28,-2.7 -2,-0.4 2,-0.5 -0.974 16.4-141.8-107.0 129.2 25.9 17.8 38.8 48 65 X V E -KN 18 65C 0 17,-2.9 17,-2.7 -2,-0.5 2,-0.6 -0.753 11.5-158.3 -92.9 129.9 25.7 20.9 36.7 49 66 X R E -KN 17 64C 51 -32,-2.7 -32,-2.3 -2,-0.5 3,-0.3 -0.943 13.9-179.5-115.0 109.8 29.0 22.9 36.5 50 67 X L E + N 0 63C 2 13,-3.1 13,-1.6 -2,-0.6 -34,-0.1 -0.519 61.1 34.3-104.8 157.3 28.6 26.5 35.6 51 69 X G S S+ 0 0 6 -38,-0.4 10,-0.3 -36,-0.3 2,-0.3 0.680 84.2 154.5 74.3 18.7 31.3 29.1 35.2 52 70 X E + 0 0 9 -37,-0.4 -42,-0.4 -3,-0.3 -1,-0.2 -0.573 21.6 149.6 -85.1 141.6 33.8 26.6 33.9 53 71 X D S S+ 0 0 15 1,-0.4 2,-0.7 -2,-0.3 -1,-0.1 0.362 81.6 30.5-118.0 -83.4 36.8 27.1 31.7 54 72 X N S > S- 0 0 28 80,-0.2 3,-1.2 1,-0.2 -1,-0.4 -0.665 73.3-160.5 -74.9 114.2 39.4 24.4 32.6 55 73 X I T 3 S+ 0 0 30 78,-2.4 -1,-0.2 -2,-0.7 79,-0.1 0.533 87.6 51.6 -77.5 -3.5 37.1 21.5 33.8 56 74 X N T 3 S+ 0 0 126 77,-0.2 2,-0.4 1,-0.1 -1,-0.2 0.371 106.0 57.8-109.7 3.1 40.1 19.9 35.7 57 75 X V S < S- 0 0 77 -3,-1.2 2,-0.7 76,-0.1 -4,-0.3 -1.000 78.1-128.2-136.1 134.2 41.1 23.0 37.7 58 76 X V + 0 0 114 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.0 -0.727 34.2 171.5 -83.0 115.1 39.2 25.1 40.1 59 77 X E - 0 0 95 -2,-0.7 -1,-0.2 -5,-0.2 -7,-0.0 0.565 51.6 -96.2-108.9 -11.3 39.8 28.6 38.8 60 78 X G S S+ 0 0 60 -9,-0.0 -2,-0.1 0, 0.0 -8,-0.1 0.327 105.0 73.7 120.4 -9.0 37.4 30.8 40.8 61 79 X N + 0 0 65 -10,-0.3 -9,-0.1 -11,-0.1 2,-0.1 0.325 66.1 123.0-117.0 10.7 34.2 31.3 38.8 62 80 X E - 0 0 34 -13,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.336 38.0-169.6 -73.1 148.0 32.6 27.9 39.2 63 81 X Q E -N 50 0C 42 -13,-1.6 -13,-3.1 -2,-0.1 2,-0.6 -0.974 7.7-164.6-129.0 124.2 29.2 27.1 40.6 64 82 X F E +N 49 0C 78 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.943 16.5 169.4-108.1 117.5 28.5 23.3 41.1 65 83 X I E -N 48 0C 13 -17,-2.7 -17,-2.9 -2,-0.6 2,-0.1 -0.991 28.9-128.6-135.5 123.7 24.8 22.6 41.6 66 84 X S E -N 47 0C 51 -2,-0.4 25,-2.8 -19,-0.3 26,-0.3 -0.376 28.1-111.4 -66.5 147.0 23.2 19.2 41.6 67 85 X A E -O 90 0C 19 -21,-2.8 23,-0.3 23,-0.2 3,-0.1 -0.560 21.7-167.1 -74.2 139.6 20.2 18.5 39.4 68 86 X S E S+ 0 0 57 21,-2.7 2,-0.3 1,-0.4 22,-0.2 0.674 73.4 1.7 -93.4 -27.2 16.9 17.9 41.2 69 87 X K E -O 89 0C 73 20,-1.0 20,-3.2 2,-0.0 -1,-0.4 -0.959 57.4-152.8-165.4 142.7 15.0 16.6 38.2 70 88 X S E -O 88 0C 42 -2,-0.3 2,-0.5 18,-0.2 18,-0.2 -0.964 9.5-165.1-117.1 139.6 15.7 15.7 34.5 71 89 X I E -O 87 0C 38 16,-2.9 16,-2.6 -2,-0.4 2,-0.3 -0.934 5.1-160.1-129.2 103.0 12.8 15.8 31.8 72 90 X V E -O 86 0C 48 -2,-0.5 14,-0.2 14,-0.2 12,-0.1 -0.607 42.1 -87.1 -73.0 143.4 13.6 14.0 28.6 73 91 X H > - 0 0 23 12,-2.4 3,-1.9 10,-0.3 -1,-0.1 -0.210 35.7-122.5 -52.4 140.1 11.3 15.2 25.7 74 92 X P T 3 S+ 0 0 100 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.776 109.7 39.9 -57.2 -29.3 8.1 13.1 25.7 75 93 X S T 3 S+ 0 0 72 8,-0.1 2,-0.1 2,-0.1 -2,-0.1 0.125 79.0 143.5-109.2 17.0 8.7 12.0 22.1 76 94 X Y < - 0 0 55 -3,-1.9 2,-0.5 9,-0.1 7,-0.2 -0.417 31.5-163.7 -57.9 130.6 12.5 11.4 22.2 77 95 X N > - 0 0 67 5,-2.2 4,-2.3 -2,-0.1 5,-0.5 -0.960 7.9-163.3-117.2 115.1 13.5 8.4 20.1 78 96 X S T 4 S+ 0 0 78 -2,-0.5 -1,-0.1 1,-0.2 -2,-0.0 0.682 86.9 57.0 -75.4 -15.6 17.0 7.1 20.9 79 97 X N T 4 S+ 0 0 150 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.914 123.8 20.7 -77.1 -45.2 17.2 5.1 17.7 80 98 X T T 4 S- 0 0 75 2,-0.1 -2,-0.2 -3,-0.1 -1,-0.1 0.607 96.9-130.4 -95.2 -14.8 16.6 8.0 15.3 81 99 X L >< + 0 0 33 -4,-2.3 3,-0.8 1,-0.3 2,-0.2 0.557 49.4 159.5 62.3 19.1 17.6 10.9 17.8 82 100 X N T 3 + 0 0 38 -5,-0.5 -5,-2.2 1,-0.2 -1,-0.3 -0.481 67.4 15.6 -67.0 135.6 14.3 12.6 16.8 83 101 X N T 3 S+ 0 0 18 -7,-0.2 2,-2.0 1,-0.2 -10,-0.3 0.894 79.1 179.0 65.8 47.0 13.5 15.1 19.6 84 102 X D < + 0 0 1 -3,-0.8 2,-0.3 75,-0.2 123,-0.2 -0.498 36.0 113.6 -84.2 74.4 17.0 15.0 21.1 85 103 X I + 0 0 0 -2,-2.0 -12,-2.4 -47,-0.3 2,-0.3 -0.997 36.4 176.4-147.9 147.3 16.3 17.5 23.9 86 104 X M E -MO 37 72C 0 -49,-2.2 -49,-2.6 -2,-0.3 2,-0.4 -0.992 19.2-140.3-152.2 143.5 16.1 17.3 27.7 87 105 X L E -MO 36 71C 0 -16,-2.6 -16,-2.9 -2,-0.3 2,-0.4 -0.859 13.3-163.7-107.6 142.9 15.6 19.9 30.5 88 106 X I E -MO 35 70C 0 -53,-2.6 -53,-2.7 -2,-0.4 2,-0.4 -0.996 7.5-149.7-128.1 124.7 17.5 19.7 33.8 89 107 X K E -MO 34 69C 34 -20,-3.2 -21,-2.7 -2,-0.4 -20,-1.0 -0.817 14.8-132.3 -96.1 136.8 16.4 21.6 36.9 90 108 X L E - 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