==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 03-APR-09 3GY5 . COMPND 2 MOLECULE: CATIONIC TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR C.S.PERILO,M.T.PEREIRA,M.M.SANTORO,R.A.P.NAGEM . 223 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8899.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 140 62.8 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 . 71 31.8 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 . 17 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 15 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 0 1 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 2 2 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 A I 0 0 2 0, 0.0 2,-0.5 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 121.9 -7.9 8.4 18.6 2 17 A V B +A 171 0A 9 169,-3.2 169,-2.2 1,-0.2 123,-0.1 -0.851 360.0 4.0 -99.1 131.9 -10.1 9.2 15.6 3 18 A G S S+ 0 0 45 121,-0.6 -1,-0.2 -2,-0.5 169,-0.1 0.725 102.8 120.2 71.7 22.8 -11.9 6.4 13.8 4 19 A G - 0 0 32 -3,-0.4 2,-0.3 167,-0.1 134,-0.2 -0.024 57.3-113.5 -98.0-155.6 -10.6 3.8 16.2 5 20 A Y E -B 137 0B 96 132,-2.8 132,-3.3 -3,-0.1 2,-0.5 -0.931 35.1 -85.5-140.8 160.9 -12.4 1.3 18.4 6 21 A T E -B 136 0B 71 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.599 37.3-150.7 -68.1 119.9 -12.8 0.8 22.1 7 22 A a - 0 0 17 128,-2.2 -1,-0.2 -2,-0.5 129,-0.1 0.905 37.0-113.0 -59.7 -42.4 -9.7 -1.3 23.1 8 23 A G > - 0 0 25 127,-0.5 3,-2.0 -3,-0.1 4,-0.3 -0.027 47.8 -56.2 105.6 139.5 -11.4 -3.1 25.9 9 24 A A T 3 S- 0 0 53 1,-0.3 44,-0.1 2,-0.1 43,-0.1 -0.235 119.0 -11.5 -55.1 122.9 -10.4 -2.6 29.5 10 25 A N T 3 S+ 0 0 22 42,-0.2 -1,-0.3 2,-0.2 43,-0.1 0.685 91.8 126.3 65.0 22.2 -6.8 -3.4 30.2 11 26 A T S < S+ 0 0 80 -3,-2.0 -1,-0.1 1,-0.3 -2,-0.1 0.534 75.1 50.4 -83.1 -9.8 -6.2 -4.9 26.8 12 27 A V S > S+ 0 0 6 -4,-0.3 3,-2.2 87,-0.1 -1,-0.3 -0.706 74.9 175.4-124.2 74.2 -3.3 -2.5 26.3 13 28 A P T 3 S+ 0 0 27 0, 0.0 88,-1.5 0, 0.0 38,-0.3 0.609 73.1 53.0 -68.3 -14.7 -1.5 -3.1 29.5 14 29 A Y T 3 S+ 0 0 17 86,-0.2 15,-2.7 88,-0.1 2,-0.4 0.471 82.9 109.4 -94.2 -6.5 1.5 -0.9 28.9 15 30 A Q E < -J 28 0C 4 -3,-2.2 37,-0.5 13,-0.2 36,-0.4 -0.594 49.0-175.4 -74.5 124.4 -0.7 2.1 28.1 16 31 A V E -J 27 0C 0 11,-2.7 11,-1.3 -2,-0.4 2,-0.5 -0.842 21.8-137.1-115.3 156.9 -0.5 4.7 30.8 17 32 A S E -JK 26 49C 1 32,-2.4 32,-3.2 -2,-0.3 2,-0.6 -0.959 16.0-142.2-104.1 130.2 -2.2 8.0 31.3 18 33 A L E -JK 25 48C 0 7,-3.4 6,-2.7 -2,-0.5 7,-1.0 -0.855 25.7-167.3 -91.2 128.0 -0.1 10.9 32.4 19 34 A N E +JK 23 47C 15 28,-3.0 28,-2.8 -2,-0.6 4,-0.2 -0.961 32.6 167.1-127.9 129.0 -2.1 12.9 34.9 20 37 A S S S- 0 0 31 2,-2.2 3,-0.1 -2,-0.4 26,-0.1 -0.369 98.2 -45.4-126.7 51.1 -1.5 16.3 36.3 21 38 A G S S+ 0 0 70 26,-0.1 2,-0.3 1,-0.0 -2,-0.1 0.254 140.9 27.1 97.0 -7.0 -5.0 16.7 37.8 22 39 A Y S S- 0 0 127 -4,-0.0 -2,-2.2 0, 0.0 2,-0.3 -0.924 102.8 -80.1-172.8 157.2 -6.4 15.4 34.5 23 40 A H E +J 19 0C 30 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.556 51.3 158.1 -67.2 131.8 -5.2 13.2 31.7 24 41 A F E + 0 0 32 -6,-2.7 2,-0.3 1,-0.5 151,-0.2 0.510 58.9 4.3-131.5 -14.1 -2.9 15.1 29.4 25 42 A b E -J 18 0C 7 -7,-1.0 -7,-3.4 151,-0.1 -1,-0.5 -0.983 62.5-119.7-163.3 160.3 -0.8 12.5 27.6 26 43 A G E +J 17 0C 0 151,-3.3 12,-0.4 -2,-0.3 2,-0.3 -0.455 27.9 178.5 -93.5 176.1 -0.3 8.9 27.1 27 44 A G E -J 16 0C 0 -11,-1.3 -11,-2.7 -2,-0.2 2,-0.4 -0.947 24.1-120.8-165.7 172.5 2.8 6.9 27.8 28 45 A S E -JL 15 36C 0 8,-2.5 8,-2.9 -2,-0.3 2,-0.5 -0.994 19.7-130.5-129.9 128.3 4.0 3.4 27.6 29 46 A L E + L 0 35C 0 -15,-2.7 74,-2.8 -2,-0.4 6,-0.3 -0.656 27.4 174.8 -75.9 123.0 5.3 1.4 30.5 30 47 A I E - 0 0 18 4,-2.8 2,-0.3 -2,-0.5 75,-0.2 0.553 67.6 -7.9-110.7 -12.2 8.6 -0.1 29.4 31 48 A N E > S- L 0 34C 45 3,-1.3 3,-0.8 70,-0.1 -1,-0.3 -0.933 90.9 -77.3-161.9-176.1 9.6 -1.6 32.8 32 49 A S T 3 S+ 0 0 41 -2,-0.3 62,-3.6 1,-0.2 60,-0.1 0.694 128.3 28.8 -63.2 -16.6 8.3 -1.6 36.3 33 50 A Q T 3 S+ 0 0 73 60,-0.2 57,-3.3 1,-0.1 2,-0.4 0.428 110.1 70.0-120.5 -4.4 9.8 1.9 36.9 34 51 A W E < -LM 31 89C 0 -3,-0.8 -4,-2.8 55,-0.2 -3,-1.3 -0.970 47.7-171.0-135.2 138.5 9.9 3.6 33.6 35 52 A V E -LM 29 88C 0 53,-2.8 53,-3.1 -2,-0.4 2,-0.5 -0.947 14.9-146.2-122.1 137.2 7.5 5.1 31.2 36 53 A V E +LM 28 87C 0 -8,-2.9 -8,-2.5 -2,-0.4 2,-0.2 -0.904 33.5 150.7 -99.7 133.5 8.3 6.4 27.7 37 54 A S E - M 0 86C 0 49,-2.6 49,-2.5 -2,-0.5 2,-0.3 -0.757 49.9 -70.8-143.4-169.8 6.3 9.3 26.5 38 55 A A > - 0 0 0 -12,-0.4 3,-1.7 47,-0.3 47,-0.3 -0.701 34.1-132.0 -89.7 141.5 6.6 12.3 24.1 39 56 A A G > S+ 0 0 2 -2,-0.3 3,-2.3 1,-0.3 -1,-0.1 0.845 108.0 64.5 -59.2 -32.3 9.0 15.1 25.2 40 57 A H G 3 S+ 0 0 63 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.631 93.2 63.5 -71.0 -7.4 6.2 17.5 24.3 41 58 A b G < S+ 0 0 2 -3,-1.7 -1,-0.3 -15,-0.1 -2,-0.2 0.399 78.1 132.3 -87.3 -0.9 4.2 15.9 27.1 42 59 A Y < + 0 0 119 -3,-2.3 2,-0.3 -4,-0.1 -3,-0.1 -0.283 20.1 137.0 -56.8 131.7 6.8 17.1 29.6 43 60 A K - 0 0 56 0, 0.0 3,-0.4 0, 0.0 2,-0.1 -0.942 49.9-106.0-159.0 164.6 5.6 18.7 32.7 44 61 A S S S+ 0 0 93 -2,-0.3 25,-0.0 1,-0.2 0, 0.0 -0.456 95.8 37.9 -82.5 163.3 6.4 18.6 36.4 45 62 A G S S+ 0 0 68 1,-0.2 2,-0.3 22,-0.1 -1,-0.2 0.811 76.1 170.9 70.7 30.8 4.1 16.8 38.9 46 63 A I - 0 0 6 -3,-0.4 21,-3.1 -26,-0.1 2,-0.5 -0.584 20.6-161.5 -74.9 132.0 3.2 14.0 36.6 47 64 A Q E -KN 19 66C 47 -28,-2.8 -28,-3.0 -2,-0.3 2,-0.4 -0.983 15.4-141.3-107.4 126.0 1.2 11.1 38.2 48 65 A V E -KN 18 65C 0 17,-3.0 17,-2.8 -2,-0.5 2,-0.6 -0.739 11.8-156.8 -89.3 130.9 1.4 8.1 36.0 49 66 A R E +KN 17 64C 49 -32,-3.2 -32,-2.4 -2,-0.4 3,-0.3 -0.940 15.7 178.4-115.2 111.0 -1.8 6.1 35.9 50 67 A L E + N 0 63C 1 13,-3.4 13,-2.0 -2,-0.6 -34,-0.1 -0.672 58.4 33.6-103.8 163.6 -1.5 2.6 35.0 51 69 A G S S+ 0 0 4 -36,-0.4 2,-0.4 -38,-0.3 10,-0.3 0.768 85.3 149.2 71.0 28.0 -4.1 -0.1 34.7 52 70 A E + 0 0 9 -37,-0.5 -1,-0.2 -3,-0.3 -42,-0.2 -0.766 23.9 153.0-113.1 129.0 -6.5 2.3 33.5 53 71 A D S S+ 0 0 12 -2,-0.4 2,-0.8 1,-0.4 -1,-0.2 0.632 81.3 34.5-108.6 -81.2 -9.5 1.9 31.1 54 72 A N S > S- 0 0 17 80,-0.2 3,-1.2 1,-0.2 -1,-0.4 -0.654 72.9-162.7 -74.0 110.5 -12.0 4.6 32.0 55 73 A I T 3 S+ 0 0 27 78,-2.8 -1,-0.2 -2,-0.8 79,-0.1 0.584 86.5 53.0 -74.2 -5.1 -9.8 7.4 33.1 56 74 A N T 3 S+ 0 0 136 77,-0.2 2,-0.4 1,-0.1 -1,-0.2 0.434 106.3 55.8-106.4 -3.2 -12.7 9.1 34.8 57 75 A V S < S- 0 0 74 -3,-1.2 2,-0.7 76,-0.2 -4,-0.2 -0.996 78.9-126.7-133.4 134.3 -13.8 6.2 36.9 58 76 A V + 0 0 113 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.1 -0.713 35.2 171.3 -77.3 114.7 -11.8 4.1 39.4 59 77 A E - 0 0 93 -2,-0.7 -1,-0.2 -5,-0.2 -4,-0.0 0.538 51.6 -99.6-107.5 -13.4 -12.5 0.6 38.1 60 78 A G S S+ 0 0 57 -9,-0.0 -8,-0.1 0, 0.0 -2,-0.1 0.326 104.2 76.1 117.9 -8.2 -10.2 -1.4 40.2 61 79 A N + 0 0 59 -10,-0.3 -9,-0.1 38,-0.0 2,-0.1 0.330 66.6 120.9-113.7 8.5 -7.1 -2.1 38.2 62 80 A E - 0 0 32 -13,-0.0 2,-0.4 2,-0.0 -11,-0.3 -0.369 40.3-168.4 -72.9 146.5 -5.4 1.3 38.4 63 81 A Q E -N 50 0C 45 -13,-2.0 -13,-3.4 -2,-0.1 2,-0.6 -0.989 7.1-163.4-126.4 127.1 -2.1 2.0 39.9 64 82 A F E +N 49 0C 75 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.957 16.5 169.7-108.3 120.4 -1.4 5.7 40.4 65 83 A I E -N 48 0C 12 -17,-2.8 -17,-3.0 -2,-0.6 2,-0.1 -0.990 29.4-128.4-136.8 123.5 2.3 6.3 40.9 66 84 A S E -N 47 0C 51 -2,-0.4 25,-3.0 -19,-0.3 26,-0.3 -0.398 29.4-109.4 -67.5 146.1 3.9 9.8 40.9 67 85 A A E -O 90 0C 21 -21,-3.1 23,-0.3 23,-0.2 -22,-0.1 -0.556 22.2-165.2 -70.2 138.7 6.9 10.4 38.7 68 86 A S E S- 0 0 53 21,-3.0 2,-0.3 1,-0.4 22,-0.2 0.664 73.5 -8.7 -92.8 -25.3 10.1 10.8 40.5 69 87 A K E -O 89 0C 78 20,-1.1 20,-3.1 -23,-0.1 -1,-0.4 -0.973 57.5-147.0-164.6 153.8 11.9 12.3 37.6 70 88 A S E -O 88 0C 39 -2,-0.3 2,-0.5 18,-0.2 18,-0.2 -0.975 8.7-160.2-126.6 146.8 11.4 12.9 33.9 71 89 A I E -O 87 0C 34 16,-3.2 16,-2.8 -2,-0.4 2,-0.3 -0.964 6.7-157.7-130.3 112.6 14.2 12.9 31.4 72 90 A V E -O 86 0C 48 -2,-0.5 14,-0.2 14,-0.2 12,-0.1 -0.687 40.3 -88.5 -89.2 142.4 13.6 14.7 28.1 73 91 A H > - 0 0 23 12,-2.5 3,-2.0 -2,-0.3 -1,-0.1 -0.174 34.5-124.3 -52.1 138.0 15.7 13.6 25.2 74 92 A P T 3 S+ 0 0 97 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.789 110.0 39.6 -54.9 -29.2 18.9 15.5 25.1 75 93 A S T 3 S+ 0 0 72 8,-0.1 2,-0.1 2,-0.1 -2,-0.1 0.156 79.5 142.2-109.4 17.8 18.2 16.6 21.6 76 94 A Y < - 0 0 52 -3,-2.0 2,-0.5 9,-0.1 7,-0.2 -0.421 31.2-166.4 -62.8 127.6 14.5 17.3 21.8 77 95 A N B >> -P 82 0D 63 5,-2.2 4,-2.0 -2,-0.1 5,-0.5 -0.978 9.4-162.1-116.5 116.2 13.6 20.3 19.8 78 96 A S T 45S+ 0 0 77 -2,-0.5 -1,-0.1 1,-0.2 -2,-0.0 0.663 87.8 57.1 -75.6 -15.2 10.1 21.5 20.6 79 97 A N T 45S+ 0 0 148 1,-0.1 -1,-0.2 3,-0.1 -3,-0.0 0.924 123.2 21.4 -78.1 -45.1 9.9 23.5 17.4 80 98 A T T 45S- 0 0 70 2,-0.1 -2,-0.2 -3,-0.0 77,-0.2 0.575 97.3-131.9 -97.2 -12.6 10.5 20.6 15.0 81 99 A L T ><5 + 0 0 32 -4,-2.0 3,-0.8 1,-0.3 2,-0.2 0.629 48.7 161.3 61.8 19.0 9.5 18.0 17.5 82 100 A N B 3 < +P 77 0D 37 -5,-0.5 -5,-2.2 1,-0.3 -1,-0.3 -0.501 66.8 14.1 -66.8 134.4 12.6 16.2 16.5 83 101 A N T 3 S+ 0 0 15 -7,-0.2 2,-2.2 1,-0.2 -10,-0.3 0.929 79.5 179.4 64.0 49.0 13.5 13.6 19.3 84 102 A D < + 0 0 0 -3,-0.8 2,-0.4 75,-0.2 -1,-0.2 -0.540 37.1 113.7 -85.0 75.4 10.0 13.9 20.8 85 103 A I + 0 0 0 -2,-2.2 -12,-2.5 -47,-0.3 2,-0.3 -0.998 36.1 172.7-147.7 140.0 10.7 11.4 23.5 86 104 A M E -MO 37 72C 0 -49,-2.5 -49,-2.6 -2,-0.4 2,-0.4 -0.968 22.4-135.5-142.3 162.0 11.0 11.4 27.2 87 105 A L E -MO 36 71C 0 -16,-2.8 -16,-3.2 -2,-0.3 2,-0.5 -0.949 13.9-162.8-115.6 138.9 11.4 9.0 30.0 88 106 A I E -MO 35 70C 0 -53,-3.1 -53,-2.8 -2,-0.4 2,-0.5 -0.989 9.2-149.1-122.5 125.2 9.4 9.2 33.2 89 107 A K E -MO 34 69C 31 -20,-3.1 -21,-3.0 -2,-0.5 -20,-1.1 -0.804 14.5-131.0 -95.2 136.2 10.5 7.3 36.2 90 108 A L E - 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