==== 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 3GY3 . 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) . 8876.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 137 61.4 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 . 12 5.4 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 . 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 0.000 360.0 360.0 360.0 124.9 -2.6 13.8 47.2 2 17 A V B +A 171 0A 8 169,-3.5 169,-2.1 1,-0.2 123,-0.1 -0.909 360.0 7.6-108.9 131.9 -0.3 13.8 50.2 3 18 A G S S+ 0 0 42 121,-0.5 -1,-0.2 -2,-0.5 2,-0.1 0.664 103.7 116.7 78.0 15.5 1.3 10.5 51.4 4 19 A G - 0 0 33 -3,-0.3 2,-0.3 167,-0.1 134,-0.2 -0.077 58.6-116.6 -99.1-156.2 0.1 8.7 48.3 5 20 A Y E -B 137 0B 94 132,-2.6 132,-3.2 -3,-0.1 2,-0.5 -0.926 35.0 -82.9-143.3 159.3 1.9 7.1 45.5 6 21 A T E -B 136 0B 73 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.568 37.9-149.4 -65.4 117.9 2.3 7.5 41.7 7 22 A a - 0 0 17 128,-2.2 -1,-0.2 -2,-0.5 129,-0.1 0.905 38.3-113.8 -55.5 -44.8 -0.7 5.7 40.3 8 23 A G > - 0 0 26 127,-0.5 3,-2.2 -3,-0.1 4,-0.3 0.018 50.1 -50.8 106.0 138.5 1.1 4.6 37.2 9 24 A A T 3 S- 0 0 60 1,-0.3 44,-0.1 2,-0.1 43,-0.1 -0.131 120.6 -15.3 -49.0 117.6 0.2 5.9 33.8 10 25 A N T 3 S+ 0 0 21 42,-0.3 -1,-0.3 2,-0.1 43,-0.1 0.619 89.9 129.9 64.7 21.3 -3.6 5.5 33.1 11 26 A T S < S+ 0 0 79 -3,-2.2 -2,-0.1 1,-0.3 -1,-0.1 0.558 77.1 48.1 -78.4 -10.9 -4.2 3.1 36.0 12 27 A V S > S+ 0 0 5 -4,-0.3 3,-2.1 87,-0.1 -1,-0.3 -0.694 74.9 172.5-125.2 73.2 -7.1 5.3 37.0 13 28 A P T 3 S+ 0 0 27 0, 0.0 88,-1.5 0, 0.0 38,-0.4 0.617 72.3 56.1 -72.5 -10.7 -8.7 5.7 33.6 14 29 A Y T 3 S+ 0 0 20 86,-0.2 15,-2.6 88,-0.1 2,-0.4 0.524 82.2 108.6 -90.4 -8.7 -11.8 7.5 34.8 15 30 A Q E < -J 28 0C 2 -3,-2.1 37,-0.4 13,-0.2 36,-0.4 -0.558 51.0-173.4 -72.0 124.4 -9.7 10.2 36.4 16 31 A V E -J 27 0C 0 11,-2.9 11,-1.1 -2,-0.4 2,-0.5 -0.843 20.1-138.9-113.4 157.8 -10.0 13.4 34.4 17 32 A S E -JK 26 49C 0 32,-2.4 32,-3.1 -2,-0.3 2,-0.6 -0.967 15.5-143.5-106.7 130.5 -8.2 16.7 34.8 18 33 A L E -JK 25 48C 0 7,-3.6 6,-2.7 -2,-0.5 7,-1.1 -0.850 24.6-170.3 -93.1 130.0 -10.3 19.8 34.4 19 34 A N E +JK 23 47C 16 28,-3.3 28,-2.5 -2,-0.6 4,-0.2 -0.972 31.6 167.6-128.0 129.2 -8.2 22.4 32.6 20 37 A S S S- 0 0 32 2,-1.9 3,-0.1 -2,-0.4 26,-0.1 -0.358 99.2 -43.1-126.2 50.4 -8.9 26.1 31.9 21 38 A G S S+ 0 0 71 26,-0.1 2,-0.3 1,-0.0 -2,-0.1 0.228 141.0 26.5 106.0 -10.1 -5.4 26.9 30.8 22 39 A Y S S- 0 0 127 -4,-0.0 -2,-1.9 0, 0.0 2,-0.3 -0.931 102.2 -79.7-170.2 154.7 -4.0 24.7 33.6 23 40 A H E +J 19 0C 34 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.492 52.6 157.6 -62.9 131.1 -5.1 21.8 35.7 24 41 A F E + 0 0 32 -6,-2.7 2,-0.3 1,-0.5 151,-0.3 0.537 58.6 6.8-132.6 -12.4 -7.5 23.1 38.4 25 42 A b E -J 18 0C 5 -7,-1.1 -7,-3.6 151,-0.1 -1,-0.5 -0.978 61.3-122.7-163.4 157.6 -9.6 20.1 39.5 26 43 A G E +J 17 0C 0 151,-3.0 12,-0.4 -2,-0.3 2,-0.3 -0.405 28.6 177.7 -90.4 176.9 -10.1 16.5 39.1 27 44 A G E -J 16 0C 0 -11,-1.1 -11,-2.9 -2,-0.2 2,-0.4 -0.940 24.9-119.0-168.2 172.8 -13.3 14.8 37.9 28 45 A S E -JL 15 36C 0 8,-2.5 8,-2.9 -2,-0.3 2,-0.5 -0.991 19.3-130.0-130.2 128.7 -14.5 11.4 37.1 29 46 A L E + L 0 35C 0 -15,-2.6 74,-2.8 -2,-0.4 6,-0.3 -0.656 27.9 174.5 -77.7 124.0 -15.7 10.2 33.8 30 47 A I E - 0 0 19 4,-3.0 2,-0.3 -2,-0.5 75,-0.2 0.720 67.7 -9.0-107.9 -23.7 -19.0 8.5 34.3 31 48 A N E > S- L 0 34C 56 3,-1.4 3,-1.2 70,-0.1 -1,-0.4 -0.913 91.1 -77.6-152.9-178.5 -20.0 7.8 30.8 32 49 A S T 3 S+ 0 0 40 -2,-0.3 62,-3.8 1,-0.2 60,-0.1 0.717 128.8 27.7 -58.5 -21.7 -18.5 8.9 27.4 33 50 A Q T 3 S+ 0 0 55 60,-0.2 57,-2.9 1,-0.1 2,-0.4 0.394 111.1 73.1-121.5 8.9 -20.0 12.4 27.5 34 51 A W E < -LM 31 89C 8 -3,-1.2 -4,-3.0 55,-0.2 -3,-1.4 -0.975 46.9-176.2-134.3 135.0 -20.3 13.1 31.3 35 52 A V E -LM 29 88C 0 53,-2.9 53,-2.8 -2,-0.4 2,-0.4 -0.955 15.3-148.1-119.7 139.8 -17.8 13.9 34.0 36 53 A V E +LM 28 87C 0 -8,-2.9 -8,-2.5 -2,-0.4 2,-0.2 -0.914 31.1 151.1-105.7 137.3 -18.7 14.3 37.6 37 54 A S E - M 0 86C 0 49,-3.2 49,-2.4 -2,-0.4 2,-0.3 -0.769 49.3 -67.9-142.4-167.5 -16.7 16.8 39.7 38 55 A A > - 0 0 0 -12,-0.4 3,-1.7 47,-0.3 47,-0.3 -0.686 34.3-131.2 -89.5 142.1 -17.1 19.0 42.7 39 56 A A G > S+ 0 0 2 -2,-0.3 3,-2.4 1,-0.3 -1,-0.1 0.858 108.9 65.2 -58.8 -29.7 -19.4 22.0 42.4 40 57 A H G 3 S+ 0 0 59 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.675 93.1 63.4 -72.5 -8.0 -16.6 24.1 43.9 41 58 A b G < S+ 0 0 4 -3,-1.7 -1,-0.3 -15,-0.0 -2,-0.2 0.420 78.1 131.9 -84.9 -3.4 -14.7 23.3 40.7 42 59 A Y < + 0 0 121 -3,-2.4 2,-0.3 -4,-0.1 -3,-0.1 -0.278 20.4 136.0 -56.8 131.9 -17.2 25.1 38.7 43 60 A K - 0 0 51 0, 0.0 3,-0.4 0, 0.0 2,-0.2 -0.942 50.7-105.8-158.0 166.4 -16.0 27.5 36.1 44 61 A S S S+ 0 0 96 -2,-0.3 25,-0.0 1,-0.2 0, 0.0 -0.517 97.0 37.8 -84.1 159.9 -16.8 28.4 32.5 45 62 A G S S+ 0 0 69 1,-0.2 2,-0.3 -2,-0.2 -1,-0.2 0.779 76.7 170.9 74.6 27.4 -14.5 27.3 29.7 46 63 A I - 0 0 2 -3,-0.4 21,-3.1 -26,-0.1 2,-0.5 -0.525 19.8-162.4 -72.1 132.3 -13.6 24.0 31.1 47 64 A Q E -KN 19 66C 49 -28,-2.5 -28,-3.3 -2,-0.3 2,-0.5 -0.982 14.3-142.1-109.6 129.5 -11.7 21.6 29.0 48 65 A V E -KN 18 65C 0 17,-3.3 17,-3.0 -2,-0.5 2,-0.7 -0.788 10.5-155.1 -92.1 131.0 -11.8 18.0 30.2 49 66 A R E -KN 17 64C 47 -32,-3.1 -32,-2.4 -2,-0.5 3,-0.3 -0.938 14.2-174.0-116.2 109.5 -8.6 16.1 29.8 50 67 A L E + N 0 63C 1 13,-3.3 13,-1.9 -2,-0.7 -34,-0.1 -0.678 62.1 26.5 -91.7 155.6 -9.0 12.4 29.6 51 69 A G S S+ 0 0 4 -36,-0.4 10,-0.3 48,-0.4 2,-0.3 0.681 85.8 156.0 66.6 19.9 -6.3 9.7 29.5 52 70 A E + 0 0 8 -37,-0.4 -42,-0.3 -3,-0.3 -1,-0.2 -0.579 20.3 150.8 -80.9 140.6 -3.9 12.0 31.4 53 71 A D S S+ 0 0 11 1,-0.4 2,-0.8 4,-0.3 -1,-0.2 0.323 80.0 30.9-119.3 -81.6 -1.0 10.9 33.4 54 72 A N S > S- 0 0 26 80,-0.2 3,-1.2 1,-0.2 -1,-0.4 -0.665 74.0-162.0 -72.5 112.1 1.6 13.6 33.3 55 73 A I T 3 S+ 0 0 27 78,-2.7 -1,-0.2 -2,-0.8 79,-0.1 0.599 87.1 53.5 -75.1 -7.4 -0.6 16.6 32.9 56 74 A N T 3 S+ 0 0 115 77,-0.2 2,-0.4 1,-0.1 -1,-0.2 0.467 105.9 56.2-102.7 -2.1 2.3 18.7 31.7 57 75 A V S < S- 0 0 71 -3,-1.2 2,-0.7 76,-0.2 -4,-0.3 -0.998 78.1-127.7-135.4 132.5 3.4 16.3 28.9 58 76 A V + 0 0 112 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.0 -0.721 32.3 173.1 -78.3 114.1 1.5 14.9 25.9 59 77 A E - 0 0 93 -2,-0.7 -1,-0.2 -5,-0.2 -4,-0.0 0.554 51.7-102.8-105.2 -14.6 2.2 11.2 26.4 60 78 A G S S+ 0 0 58 -3,-0.1 -2,-0.1 -9,-0.0 -8,-0.1 0.349 103.5 80.4 115.4 -3.8 -0.2 10.1 23.6 61 79 A N + 0 0 50 -10,-0.3 -9,-0.1 38,-0.1 2,-0.1 0.363 65.8 119.2-112.3 6.6 -3.3 8.8 25.4 62 80 A E - 0 0 32 -13,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.325 40.0-170.4 -74.1 149.3 -5.0 12.1 26.0 63 81 A Q E -N 50 0C 39 -13,-1.9 -13,-3.3 -2,-0.1 2,-0.6 -0.977 8.3-162.6-132.8 126.9 -8.3 13.3 24.8 64 82 A F E +N 49 0C 77 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.965 15.5 173.6-109.0 121.0 -9.0 16.9 25.4 65 83 A I E -N 48 0C 12 -17,-3.0 -17,-3.3 -2,-0.6 2,-0.1 -0.993 27.4-127.5-136.0 127.0 -12.7 17.7 25.1 66 84 A S E -N 47 0C 53 -2,-0.4 25,-3.2 -19,-0.3 26,-0.3 -0.356 29.4-110.5 -67.5 145.1 -14.3 21.0 25.9 67 85 A A E -O 90 0C 18 -21,-3.1 23,-0.3 23,-0.2 -22,-0.1 -0.577 24.4-169.9 -71.7 136.0 -17.3 21.1 28.3 68 86 A S E S+ 0 0 62 21,-3.2 2,-0.3 1,-0.4 22,-0.2 0.700 73.8 7.7 -92.0 -28.8 -20.6 21.9 26.5 69 87 A K E -O 89 0C 91 20,-1.3 20,-3.0 2,-0.0 2,-0.4 -0.988 57.5-156.0-155.5 145.6 -22.5 22.3 29.8 70 88 A S E -O 88 0C 37 -2,-0.3 2,-0.5 18,-0.2 18,-0.2 -0.956 11.2-168.0-119.2 135.3 -21.8 22.5 33.5 71 89 A I E -O 87 0C 31 16,-3.1 16,-2.9 -2,-0.4 2,-0.3 -0.906 5.5-160.7-130.2 106.5 -24.6 21.6 35.9 72 90 A V E -O 86 0C 47 -2,-0.5 14,-0.2 14,-0.2 12,-0.1 -0.602 40.8 -86.3 -81.6 145.9 -23.9 22.5 39.4 73 91 A H > - 0 0 20 12,-2.4 3,-2.4 10,-0.3 -1,-0.1 -0.215 34.2-124.9 -55.9 136.0 -26.1 20.7 41.9 74 92 A P T 3 S+ 0 0 97 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.839 111.4 40.1 -50.9 -34.3 -29.4 22.5 42.5 75 93 A S T 3 S+ 0 0 70 8,-0.1 -2,-0.1 2,-0.1 2,-0.1 0.255 79.7 141.2-104.1 12.8 -28.6 22.6 46.2 76 94 A Y < - 0 0 51 -3,-2.4 2,-0.6 9,-0.1 7,-0.2 -0.347 32.5-165.4 -59.9 126.8 -25.0 23.3 46.1 77 95 A N B >>> -P 82 0D 67 5,-2.4 4,-2.1 1,-0.1 5,-0.8 -0.945 8.1-165.2-116.5 107.7 -24.1 25.8 48.8 78 96 A S T 345S+ 0 0 77 -2,-0.6 -1,-0.1 1,-0.2 -2,-0.0 0.729 85.9 61.3 -67.4 -21.5 -20.7 27.3 48.3 79 97 A N T 345S+ 0 0 148 1,-0.2 -1,-0.2 -3,-0.1 -3,-0.0 0.915 124.2 16.6 -69.7 -38.9 -20.5 28.6 51.8 80 98 A T T <45S- 0 0 68 -3,-0.6 -2,-0.2 2,-0.1 -1,-0.2 0.459 96.9-128.0-109.9 -8.8 -20.8 25.1 53.4 81 99 A L T ><5 + 0 0 31 -4,-2.1 3,-0.9 1,-0.2 -3,-0.2 0.651 51.0 161.1 56.9 20.4 -19.9 23.0 50.3 82 100 A N B 3 < +P 77 0D 35 -5,-0.8 -5,-2.4 1,-0.3 -1,-0.2 -0.531 67.5 16.8 -65.3 138.2 -23.0 21.1 51.0 83 101 A N T 3 S- 0 0 16 -7,-0.2 2,-2.2 1,-0.2 -10,-0.3 0.910 81.3-179.8 63.2 46.2 -24.0 19.2 47.8 84 102 A D < + 0 0 0 -3,-0.9 2,-0.3 75,-0.2 123,-0.2 -0.498 36.1 112.5 -81.2 76.0 -20.5 19.7 46.3 85 103 A I + 0 0 0 -2,-2.2 -12,-2.4 -47,-0.3 2,-0.3 -0.997 36.7 175.9-151.8 143.8 -21.2 18.0 43.0 86 104 A M E -MO 37 72C 0 -49,-2.4 -49,-3.2 -2,-0.3 2,-0.4 -0.989 20.4-138.7-151.6 145.8 -21.4 19.1 39.5 87 105 A L E -MO 36 71C 0 -16,-2.9 -16,-3.1 -2,-0.3 2,-0.4 -0.870 13.6-163.2-106.4 145.3 -21.8 17.4 36.2 88 106 A I E -MO 35 70C 0 -53,-2.8 -53,-2.9 -2,-0.4 2,-0.5 -0.998 7.3-151.1-130.6 124.0 -19.9 18.4 33.1 89 107 A K E -MO 34 69C 43 -20,-3.0 -21,-3.2 -2,-0.4 -20,-1.3 -0.841 16.8-129.4 -96.6 137.9 -21.0 17.3 29.7 90 108 A L E - 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