==== 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 3GY8 . 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) . 8865.0 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 . 74 33.2 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 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 . 5 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 A I 0 0 2 0, 0.0 2,-0.5 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 121.5 13.3 4.8 5.2 2 17 A V B +A 171 0A 9 169,-3.3 169,-2.1 1,-0.2 123,-0.1 -0.870 360.0 3.9-101.4 132.4 12.2 6.7 2.1 3 18 A G S S+ 0 0 46 121,-0.6 -1,-0.2 -2,-0.5 169,-0.1 0.704 102.7 119.5 70.8 20.4 8.5 6.5 1.1 4 19 A G - 0 0 32 -3,-0.3 2,-0.3 167,-0.1 134,-0.2 -0.010 57.8-114.6 -95.8-152.6 7.5 4.5 4.1 5 20 A Y E -B 137 0B 96 132,-2.5 132,-3.3 -3,-0.1 2,-0.6 -0.912 35.1 -83.6-143.5 162.7 5.1 5.2 6.9 6 21 A T E -B 136 0B 69 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.629 37.7-148.8 -72.0 117.3 5.3 5.7 10.6 7 22 A a - 0 0 14 128,-2.1 -1,-0.2 -2,-0.6 129,-0.1 0.892 37.0-113.3 -55.3 -42.8 5.3 2.2 12.0 8 23 A G > - 0 0 25 127,-0.5 3,-2.1 -3,-0.1 4,-0.3 -0.006 50.3 -55.0 104.9 138.5 3.5 3.1 15.2 9 24 A A T 3 S- 0 0 56 1,-0.3 44,-0.1 2,-0.1 43,-0.1 -0.216 120.3 -11.6 -55.1 123.1 5.1 3.0 18.6 10 25 A N T 3 S+ 0 0 21 42,-0.4 -1,-0.3 2,-0.2 43,-0.1 0.653 89.6 129.3 64.2 22.0 6.6 -0.4 19.3 11 26 A T S < S+ 0 0 80 -3,-2.1 -2,-0.1 1,-0.3 -1,-0.1 0.631 78.2 45.9 -78.6 -14.6 4.8 -2.1 16.3 12 27 A V S > S+ 0 0 5 -4,-0.3 3,-1.9 87,-0.1 -1,-0.3 -0.730 75.1 172.9-123.8 74.1 8.2 -3.5 15.3 13 28 A P T 3 S+ 0 0 28 0, 0.0 88,-1.5 0, 0.0 38,-0.4 0.584 72.9 57.0 -72.8 -8.8 9.4 -4.7 18.8 14 29 A Y T 3 S+ 0 0 20 86,-0.2 15,-2.5 88,-0.1 2,-0.4 0.514 81.8 108.9 -92.2 -9.9 12.5 -6.5 17.5 15 30 A Q E < -J 28 0C 3 -3,-1.9 36,-0.4 13,-0.2 37,-0.4 -0.537 50.9-174.2 -69.4 123.0 13.7 -3.3 15.9 16 31 A V E -J 27 0C 1 11,-3.6 11,-1.2 -2,-0.4 2,-0.5 -0.866 19.8-139.4-113.3 156.3 16.7 -1.9 17.9 17 32 A S E -JK 26 49C 1 32,-2.5 32,-3.2 -2,-0.3 2,-0.6 -0.960 15.5-141.9-105.1 132.5 18.6 1.3 17.5 18 33 A L E -JK 25 48C 0 7,-3.8 6,-2.7 -2,-0.5 7,-1.0 -0.848 23.9-167.8 -92.7 127.5 22.3 1.1 17.9 19 34 A N E +JK 23 47C 16 28,-3.4 28,-3.0 -2,-0.6 4,-0.2 -0.958 31.2 166.9-121.5 132.1 23.5 4.1 19.7 20 37 A S S S- 0 0 31 2,-2.0 3,-0.1 -2,-0.4 26,-0.1 -0.377 99.3 -46.1-128.6 51.1 27.1 5.5 20.2 21 38 A G S S+ 0 0 69 26,-0.1 2,-0.3 1,-0.0 -2,-0.1 0.177 140.7 28.9 104.7 -13.2 25.9 8.8 21.5 22 39 A Y S S- 0 0 127 -4,-0.0 -2,-2.0 0, 0.0 2,-0.3 -0.944 103.4 -80.3-164.7 156.3 23.4 9.0 18.7 23 40 A H E +J 19 0C 35 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.522 52.8 158.5 -63.4 131.8 21.5 6.5 16.6 24 41 A F E + 0 0 31 -6,-2.7 2,-0.3 1,-0.5 151,-0.3 0.526 59.1 3.2-132.5 -12.3 23.7 5.2 13.9 25 42 A b E -J 18 0C 5 -7,-1.0 -7,-3.8 151,-0.1 -1,-0.5 -0.971 62.2-121.9-163.8 159.3 22.3 1.9 12.8 26 43 A G E -J 17 0C 0 151,-2.8 12,-0.4 -2,-0.3 2,-0.3 -0.426 27.1-179.3 -92.9 178.5 19.4 -0.4 13.3 27 44 A G E -J 16 0C 0 -11,-1.2 -11,-3.6 -2,-0.2 2,-0.5 -0.934 23.7-120.0-170.9 163.0 19.6 -4.0 14.5 28 45 A S E -JL 15 36C 0 8,-2.8 8,-2.7 -2,-0.3 2,-0.5 -0.959 20.4-127.0-120.4 131.7 17.1 -6.8 15.2 29 46 A L E + L 0 35C 0 -15,-2.5 74,-2.6 -2,-0.5 6,-0.2 -0.653 29.5 173.3 -76.4 123.0 16.7 -8.5 18.5 30 47 A I E - 0 0 18 4,-2.9 2,-0.3 -2,-0.5 5,-0.2 0.665 68.5 -7.8-108.5 -22.3 17.0 -12.2 17.9 31 48 A N E > S- L 0 34C 54 3,-1.6 3,-1.0 70,-0.1 -1,-0.4 -0.929 89.4 -79.6-152.5-175.0 17.0 -13.3 21.5 32 49 A S T 3 S+ 0 0 38 -2,-0.3 62,-3.6 1,-0.2 60,-0.1 0.746 128.8 27.5 -60.1 -22.1 17.1 -11.6 24.9 33 50 A Q T 3 S+ 0 0 55 60,-0.2 57,-3.0 1,-0.1 2,-0.4 0.387 111.5 72.0-122.9 8.4 20.8 -11.1 24.8 34 51 A W E < -LM 31 89C 7 -3,-1.0 -4,-2.9 55,-0.3 -3,-1.6 -0.983 47.2-174.8-136.4 132.5 21.6 -10.9 21.0 35 52 A V E -LM 29 88C 0 53,-3.2 53,-2.9 -2,-0.4 2,-0.4 -0.942 15.0-147.2-116.9 140.7 21.1 -8.4 18.3 36 53 A V E +LM 28 87C 0 -8,-2.7 -8,-2.8 -2,-0.4 2,-0.2 -0.918 31.4 151.0-104.2 136.2 21.9 -8.9 14.6 37 54 A S E - M 0 86C 0 49,-3.5 49,-2.4 -2,-0.4 2,-0.3 -0.754 49.7 -67.2-141.5-168.7 23.0 -6.0 12.6 38 55 A A > - 0 0 0 -12,-0.4 3,-1.7 47,-0.3 47,-0.3 -0.679 34.6-132.7 -86.6 139.2 25.2 -5.2 9.6 39 56 A A G > S+ 0 0 2 -2,-0.3 3,-2.4 1,-0.3 -1,-0.1 0.865 108.6 65.8 -57.1 -32.0 28.9 -5.7 9.9 40 57 A H G 3 S+ 0 0 61 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.669 93.2 62.6 -70.0 -8.6 29.3 -2.2 8.4 41 58 A b G < S+ 0 0 2 -3,-1.7 -1,-0.3 -15,-0.1 -2,-0.2 0.408 76.2 133.2 -87.1 -2.6 27.6 -0.9 11.6 42 59 A Y < + 0 0 122 -3,-2.4 2,-0.3 -4,-0.1 -3,-0.1 -0.282 22.2 143.9 -57.6 131.3 30.4 -2.3 13.7 43 60 A K - 0 0 58 3,-0.0 3,-0.4 0, 0.0 2,-0.2 -0.948 48.1-108.5-152.4 159.1 31.7 0.2 16.3 44 61 A S S S+ 0 0 93 -2,-0.3 25,-0.0 1,-0.2 0, 0.0 -0.518 97.5 33.3 -73.1 154.3 33.1 -0.0 19.8 45 62 A G S S+ 0 0 71 1,-0.2 2,-0.4 -2,-0.2 -1,-0.2 0.873 77.6 172.4 73.4 37.5 30.9 1.3 22.6 46 63 A I - 0 0 3 -3,-0.4 21,-2.9 -26,-0.1 2,-0.5 -0.659 19.2-161.8 -83.3 133.3 27.6 0.4 21.2 47 64 A Q E -KN 19 66C 48 -28,-3.0 -28,-3.4 -2,-0.4 2,-0.5 -0.978 14.0-142.5-108.4 128.2 24.5 0.8 23.3 48 65 A V E -KN 18 65C 0 17,-3.1 17,-2.9 -2,-0.5 2,-0.7 -0.770 11.0-157.9 -89.8 128.0 21.5 -1.1 22.1 49 66 A R E -KN 17 64C 51 -32,-3.2 -32,-2.5 -2,-0.5 3,-0.3 -0.938 14.7-179.6-113.2 112.3 18.3 0.7 22.5 50 67 A L E + N 0 63C 2 13,-3.2 13,-2.0 -2,-0.7 -34,-0.1 -0.648 61.6 33.6-102.4 164.5 15.3 -1.6 22.5 51 69 A G S S+ 0 0 4 -36,-0.4 10,-0.3 48,-0.4 2,-0.3 0.707 86.3 154.7 67.2 14.1 11.6 -0.6 22.9 52 70 A E + 0 0 8 -37,-0.4 -42,-0.4 -3,-0.3 -1,-0.2 -0.569 19.5 149.1 -80.0 138.2 12.3 2.6 20.9 53 71 A D S S+ 0 0 10 1,-0.5 2,-0.8 4,-0.3 -1,-0.2 0.353 79.3 30.3-118.4 -80.9 9.9 4.6 19.0 54 72 A N S > S- 0 0 27 80,-0.2 3,-1.2 1,-0.2 -1,-0.5 -0.663 74.4-161.2 -73.8 113.5 10.9 8.2 19.1 55 73 A I T 3 S+ 0 0 26 78,-2.9 -1,-0.2 -2,-0.8 79,-0.1 0.613 86.9 52.6 -77.1 -7.2 14.7 7.8 19.4 56 74 A N T 3 S+ 0 0 118 77,-0.2 2,-0.4 1,-0.1 -1,-0.2 0.400 106.4 56.0-105.3 0.8 14.9 11.4 20.7 57 75 A V S < S- 0 0 74 -3,-1.2 2,-0.7 76,-0.2 -4,-0.3 -1.000 78.7-126.6-136.0 134.0 12.4 11.1 23.4 58 76 A V + 0 0 112 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.0 -0.719 33.1 172.6 -77.1 114.1 12.1 8.8 26.4 59 77 A E - 0 0 93 -2,-0.7 -1,-0.2 -5,-0.2 -4,-0.0 0.544 51.8-101.2-105.8 -12.5 8.6 7.4 26.0 60 78 A G S S+ 0 0 57 -9,-0.0 -2,-0.1 0, 0.0 -8,-0.1 0.386 103.8 78.3 114.1 -4.0 8.7 4.8 28.7 61 79 A N + 0 0 54 -10,-0.3 2,-0.1 38,-0.1 -9,-0.1 0.325 66.1 120.2-116.4 8.5 9.3 1.5 26.9 62 80 A E - 0 0 34 -13,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.411 39.2-171.1 -76.5 146.3 13.0 1.7 26.3 63 81 A Q E -N 50 0C 37 -13,-2.0 -13,-3.2 -2,-0.1 2,-0.6 -0.991 8.2-163.2-128.9 128.2 15.7 -0.5 27.5 64 82 A F E +N 49 0C 76 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.953 15.3 172.2-110.4 122.4 19.2 0.7 26.9 65 83 A I E -N 48 0C 12 -17,-2.9 -17,-3.1 -2,-0.6 2,-0.1 -0.991 27.6-127.6-135.7 129.5 21.8 -2.0 27.2 66 84 A S E -N 47 0C 50 -2,-0.4 25,-3.3 -19,-0.3 26,-0.3 -0.354 29.4-110.1 -69.6 146.4 25.4 -1.8 26.4 67 85 A A E -O 90 0C 13 -21,-2.9 23,-0.3 23,-0.3 3,-0.1 -0.607 24.5-170.9 -70.6 136.3 27.0 -4.4 24.0 68 86 A S E S+ 0 0 59 21,-3.3 2,-0.3 1,-0.4 22,-0.2 0.680 74.3 10.5 -92.4 -29.6 29.4 -6.8 25.8 69 87 A K E -O 89 0C 92 20,-1.5 20,-3.3 2,-0.0 2,-0.4 -0.988 57.6-158.9-155.1 139.5 30.6 -8.2 22.6 70 88 A S E -O 88 0C 38 -2,-0.3 2,-0.5 18,-0.2 18,-0.2 -0.957 10.1-168.4-116.2 136.3 30.4 -7.6 18.8 71 89 A I E -O 87 0C 32 16,-3.2 16,-2.6 -2,-0.4 2,-0.3 -0.933 6.1-159.7-130.1 107.4 31.1 -10.4 16.4 72 90 A V E -O 86 0C 48 -2,-0.5 14,-0.2 14,-0.2 12,-0.1 -0.643 41.1 -86.7 -84.3 142.8 31.5 -9.4 12.8 73 91 A H > - 0 0 22 12,-2.6 3,-2.1 -2,-0.3 -1,-0.1 -0.206 35.6-123.5 -49.9 136.8 31.0 -12.1 10.3 74 92 A P T 3 S+ 0 0 99 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.818 111.9 38.8 -51.4 -33.2 34.3 -14.1 9.8 75 93 A S T 3 S+ 0 0 70 8,-0.1 -2,-0.1 2,-0.1 9,-0.1 0.234 80.2 142.6-108.4 13.4 34.1 -13.3 6.1 76 94 A Y < - 0 0 52 -3,-2.1 2,-0.6 9,-0.1 7,-0.2 -0.341 32.6-163.6 -55.5 128.2 32.8 -9.8 6.2 77 95 A N B >> -P 82 0D 65 5,-2.5 4,-2.0 1,-0.1 5,-0.5 -0.956 8.6-164.8-118.5 109.8 34.4 -7.8 3.5 78 96 A S T 45S+ 0 0 77 -2,-0.6 -1,-0.1 1,-0.2 -2,-0.0 0.678 86.1 58.9 -69.1 -18.6 34.0 -4.1 4.1 79 97 A N T 45S+ 0 0 147 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.944 124.6 18.4 -72.8 -46.3 35.0 -3.2 0.5 80 98 A T T 45S- 0 0 68 -3,-0.1 -2,-0.2 2,-0.1 -1,-0.1 0.519 96.4-128.9-100.4 -11.8 32.2 -5.2 -1.1 81 99 A L T ><5 + 0 0 28 -4,-2.0 3,-0.9 1,-0.2 -3,-0.2 0.595 50.4 160.6 61.8 14.4 29.9 -5.5 1.9 82 100 A N B 3 < +P 77 0D 37 -5,-0.5 -5,-2.5 1,-0.3 -1,-0.2 -0.468 68.7 16.0 -61.6 135.4 29.8 -9.3 1.3 83 101 A N T 3 S+ 0 0 14 -7,-0.2 2,-2.1 1,-0.2 -10,-0.3 0.920 81.0 179.9 63.8 46.4 28.7 -11.0 4.5 84 102 A D < + 0 0 0 -3,-0.9 2,-0.3 75,-0.2 123,-0.2 -0.516 36.3 113.5 -80.9 76.3 27.5 -7.7 6.0 85 103 A I + 0 0 0 -2,-2.1 -12,-2.6 -47,-0.3 2,-0.3 -0.996 36.3 174.9-153.7 141.0 26.3 -9.2 9.2 86 104 A M E -MO 37 72C 0 -49,-2.4 -49,-3.5 -2,-0.3 2,-0.4 -0.985 20.3-139.6-151.3 144.7 27.3 -8.9 12.8 87 105 A L E -MO 36 71C 0 -16,-2.6 -16,-3.2 -2,-0.3 2,-0.5 -0.862 12.9-163.0-105.0 142.4 26.1 -10.1 16.1 88 106 A I E -MO 35 70C 0 -53,-2.9 -53,-3.2 -2,-0.4 2,-0.5 -0.998 7.1-152.0-128.3 122.0 26.0 -8.0 19.2 89 107 A K E -MO 34 69C 43 -20,-3.3 -21,-3.3 -2,-0.5 -20,-1.5 -0.857 18.3-129.4 -94.4 133.8 25.7 -9.6 22.5 90 108 A L E - 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