==== 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 3GY2 . 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) . 8811.0 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 . 15 6.7 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 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 . 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,-0.4 0.000 360.0 360.0 360.0 123.2 -7.9 8.5 18.5 2 17 A V B +A 171 0A 9 169,-3.3 169,-2.3 1,-0.2 123,-0.1 -0.869 360.0 4.4-100.8 130.4 -10.2 9.3 15.6 3 18 A G S S+ 0 0 45 121,-0.6 -1,-0.2 -2,-0.5 169,-0.1 0.718 102.9 119.2 74.3 21.6 -11.9 6.5 13.8 4 19 A G - 0 0 33 -3,-0.4 2,-0.3 167,-0.1 134,-0.2 -0.021 57.6-112.5 -97.5-154.9 -10.6 3.8 16.2 5 20 A Y E -B 137 0B 97 132,-2.7 132,-3.1 -3,-0.1 2,-0.5 -0.933 35.0 -85.2-141.8 161.0 -12.4 1.4 18.4 6 21 A T E -B 136 0B 69 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.590 37.6-151.0 -69.0 120.2 -12.8 0.8 22.1 7 22 A a - 0 0 16 128,-2.2 -1,-0.2 -2,-0.5 129,-0.1 0.901 36.5-113.2 -60.1 -42.3 -9.8 -1.2 23.0 8 23 A G > - 0 0 25 127,-0.5 3,-2.0 -3,-0.1 4,-0.3 -0.020 47.6 -56.7 105.2 139.5 -11.4 -3.0 25.9 9 24 A A T 3 S- 0 0 44 1,-0.3 44,-0.1 2,-0.1 43,-0.1 -0.241 118.6 -11.2 -56.0 123.1 -10.4 -2.6 29.5 10 25 A N T 3 S+ 0 0 18 42,-0.4 -1,-0.3 2,-0.2 43,-0.1 0.687 91.9 125.9 64.4 23.5 -6.8 -3.3 30.1 11 26 A T S < S+ 0 0 79 -3,-2.0 -1,-0.1 1,-0.2 -2,-0.1 0.530 75.1 50.1 -84.2 -9.7 -6.2 -4.9 26.7 12 27 A V S > S+ 0 0 6 -4,-0.3 3,-2.1 87,-0.1 -1,-0.2 -0.711 75.3 175.4-124.8 74.0 -3.3 -2.4 26.2 13 28 A P T 3 S+ 0 0 26 0, 0.0 88,-1.4 0, 0.0 38,-0.4 0.616 72.8 53.5 -68.4 -13.7 -1.6 -3.1 29.5 14 29 A Y T 3 S+ 0 0 16 86,-0.2 15,-2.7 88,-0.1 2,-0.4 0.473 82.6 109.3 -95.0 -6.6 1.4 -0.9 28.8 15 30 A Q E < -J 28 0C 4 -3,-2.1 36,-0.4 13,-0.2 37,-0.4 -0.605 49.0-175.3 -74.7 124.9 -0.7 2.2 28.0 16 31 A V E -J 27 0C 0 11,-2.8 11,-1.3 -2,-0.4 2,-0.5 -0.824 21.3-137.3-115.0 158.1 -0.5 4.8 30.7 17 32 A S E -JK 26 49C 0 32,-2.4 32,-3.1 -2,-0.3 2,-0.6 -0.966 16.0-141.1-106.6 130.8 -2.2 8.0 31.2 18 33 A L E -JK 25 48C 0 7,-3.4 6,-2.8 -2,-0.5 7,-1.1 -0.857 25.7-166.6 -92.3 125.2 -0.1 10.9 32.4 19 34 A N E +JK 23 47C 16 28,-3.1 28,-3.0 -2,-0.6 4,-0.2 -0.951 31.5 166.1-123.6 128.9 -2.1 12.8 34.8 20 37 A S S S- 0 0 32 2,-2.5 3,-0.1 -2,-0.4 26,-0.1 -0.305 98.6 -45.2-128.4 50.1 -1.5 16.4 36.3 21 38 A G S S+ 0 0 67 26,-0.1 2,-0.3 1,-0.1 -2,-0.1 0.231 141.0 25.0 103.6 -8.2 -5.0 16.7 37.7 22 39 A Y S S- 0 0 129 -4,-0.0 -2,-2.5 0, 0.0 2,-0.3 -0.923 103.2 -77.5-174.6 156.7 -6.4 15.4 34.5 23 40 A H E +J 19 0C 32 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.541 51.8 158.2 -65.1 131.7 -5.2 13.2 31.6 24 41 A F E + 0 0 32 -6,-2.8 2,-0.3 1,-0.4 151,-0.2 0.519 58.8 5.1-132.0 -12.6 -3.0 15.1 29.4 25 42 A b E -J 18 0C 7 -7,-1.1 -7,-3.4 151,-0.1 -1,-0.4 -0.983 62.9-118.8-163.5 159.0 -0.9 12.6 27.5 26 43 A G E +J 17 0C 0 151,-3.0 12,-0.4 -2,-0.3 2,-0.3 -0.430 28.2 179.0 -90.5 175.1 -0.3 8.9 27.0 27 44 A G E -J 16 0C 0 -11,-1.3 -11,-2.8 -2,-0.2 2,-0.4 -0.949 23.4-122.7-164.7 171.3 2.8 7.0 27.7 28 45 A S E -JL 15 36C 0 8,-2.5 8,-3.0 -2,-0.3 2,-0.5 -0.995 19.4-131.1-129.7 128.3 4.0 3.5 27.5 29 46 A L E + L 0 35C 0 -15,-2.7 74,-2.8 -2,-0.4 6,-0.3 -0.664 27.2 174.4 -77.3 123.5 5.3 1.5 30.4 30 47 A I E - 0 0 19 4,-2.7 2,-0.3 -2,-0.5 75,-0.2 0.545 67.4 -7.8-111.9 -12.8 8.6 -0.1 29.3 31 48 A N E > S- L 0 34C 45 3,-1.4 3,-0.7 70,-0.1 -1,-0.3 -0.934 90.4 -77.0-160.5-174.1 9.6 -1.6 32.7 32 49 A S T 3 S+ 0 0 40 -2,-0.3 62,-3.6 1,-0.2 60,-0.1 0.708 128.4 27.4 -63.8 -17.1 8.3 -1.5 36.2 33 50 A Q T 3 S+ 0 0 72 60,-0.2 57,-3.3 1,-0.1 2,-0.4 0.428 110.8 71.7-121.4 -3.7 9.8 2.0 36.9 34 51 A W E < -LM 31 89C 0 -3,-0.7 -4,-2.7 55,-0.2 -3,-1.4 -0.970 46.9-173.3-133.6 136.7 9.9 3.7 33.5 35 52 A V E -LM 29 88C 0 53,-2.8 53,-3.1 -2,-0.4 2,-0.5 -0.939 15.4-146.8-120.1 139.2 7.4 5.2 31.1 36 53 A V E +LM 28 87C 0 -8,-3.0 -8,-2.5 -2,-0.4 2,-0.2 -0.920 32.9 150.5-103.3 134.9 8.3 6.5 27.6 37 54 A S E - M 0 86C 0 49,-3.0 49,-2.3 -2,-0.5 2,-0.3 -0.736 49.9 -68.5-144.4-169.7 6.2 9.4 26.4 38 55 A A > - 0 0 0 -12,-0.4 3,-1.6 47,-0.3 47,-0.3 -0.703 33.7-132.7 -89.2 142.3 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 0.850 108.1 64.3 -59.3 -32.9 9.0 15.1 25.2 40 57 A H G 3 S+ 0 0 64 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.629 93.5 63.0 -70.0 -7.7 6.2 17.6 24.3 41 58 A b G < S+ 0 0 2 -3,-1.6 -1,-0.3 -15,-0.1 -2,-0.2 0.402 77.7 132.1 -88.2 -1.4 4.2 16.0 27.1 42 59 A Y < + 0 0 123 -3,-2.3 2,-0.3 -4,-0.1 -3,-0.1 -0.270 20.0 139.0 -56.3 131.9 6.8 17.1 29.6 43 60 A K - 0 0 55 0, 0.0 3,-0.4 0, 0.0 -2,-0.0 -0.905 49.3-107.3-161.5 156.2 5.5 18.8 32.7 44 61 A S S S+ 0 0 94 -2,-0.3 25,-0.0 1,-0.2 0, 0.0 -0.335 95.3 37.1 -76.6 163.4 6.4 18.6 36.3 45 62 A G S S+ 0 0 70 1,-0.2 2,-0.3 22,-0.1 -1,-0.2 0.838 76.5 171.5 69.6 34.9 4.2 16.9 38.9 46 63 A I - 0 0 4 -3,-0.4 21,-3.0 -26,-0.1 2,-0.5 -0.610 21.3-159.5 -79.1 134.8 3.1 14.0 36.6 47 64 A Q E -KN 19 66C 46 -28,-3.0 -28,-3.1 -2,-0.3 2,-0.5 -0.982 15.0-141.3-109.2 125.7 1.2 11.2 38.1 48 65 A V E -KN 18 65C 0 17,-3.1 17,-2.9 -2,-0.5 2,-0.6 -0.751 11.5-156.9 -89.4 129.4 1.4 8.1 36.0 49 66 A R E -KN 17 64C 49 -32,-3.1 -32,-2.4 -2,-0.5 3,-0.3 -0.929 14.9-179.6-113.0 111.8 -1.8 6.2 35.8 50 67 A L E + N 0 63C 1 13,-3.5 13,-2.2 -2,-0.6 -34,-0.1 -0.701 60.7 32.7-103.4 163.8 -1.4 2.6 34.9 51 69 A G S S+ 0 0 4 -36,-0.4 10,-0.3 -38,-0.4 2,-0.3 0.745 85.1 154.9 67.5 17.3 -4.1 -0.1 34.5 52 70 A E + 0 0 8 -37,-0.4 -42,-0.4 -3,-0.3 -1,-0.2 -0.608 21.0 149.8 -84.0 140.3 -6.6 2.6 33.3 53 71 A D S S+ 0 0 12 1,-0.4 2,-0.8 -2,-0.3 -1,-0.2 0.354 81.0 30.8-116.9 -80.3 -9.5 2.0 31.1 54 72 A N S > S- 0 0 28 80,-0.2 3,-1.2 1,-0.2 -1,-0.4 -0.657 73.1-163.1 -75.7 111.6 -12.0 4.6 31.9 55 73 A I T 3 S+ 0 0 25 78,-2.9 -1,-0.2 -2,-0.8 79,-0.1 0.578 86.3 53.5 -76.0 -4.5 -9.8 7.5 33.0 56 74 A N T 3 S+ 0 0 117 77,-0.2 2,-0.4 1,-0.1 -1,-0.2 0.393 106.5 55.0-106.7 -0.3 -12.7 9.2 34.7 57 75 A V S < S- 0 0 75 -3,-1.2 2,-0.7 76,-0.2 -4,-0.3 -0.999 79.1-126.3-136.5 133.3 -13.8 6.2 36.9 58 76 A V + 0 0 114 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.1 -0.717 35.3 171.0 -76.4 114.7 -11.8 4.1 39.4 59 77 A E - 0 0 93 -2,-0.7 -1,-0.2 -5,-0.2 -7,-0.0 0.547 51.6 -99.7-108.2 -14.0 -12.5 0.7 38.0 60 78 A G S S+ 0 0 56 -3,-0.1 -8,-0.1 -9,-0.0 -2,-0.1 0.352 103.7 76.8 118.7 -5.3 -10.2 -1.4 40.1 61 79 A N + 0 0 64 -10,-0.3 -9,-0.1 38,-0.0 2,-0.1 0.348 66.4 121.5-115.6 6.9 -7.0 -2.1 38.1 62 80 A E - 0 0 32 -13,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.342 39.7-169.2 -71.4 147.0 -5.4 1.3 38.4 63 81 A Q E -N 50 0C 42 -13,-2.2 -13,-3.5 -2,-0.1 2,-0.6 -0.985 7.6-163.0-128.5 125.4 -2.0 2.1 39.8 64 82 A F E +N 49 0C 75 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.952 16.4 170.3-106.7 121.3 -1.3 5.7 40.3 65 83 A I E -N 48 0C 11 -17,-2.9 -17,-3.1 -2,-0.6 2,-0.1 -0.991 28.7-129.4-137.3 122.8 2.4 6.4 40.8 66 84 A S E -N 47 0C 51 -2,-0.4 25,-3.0 -19,-0.3 26,-0.3 -0.401 29.3-109.2 -68.5 146.6 3.9 9.8 40.8 67 85 A A E -O 90 0C 19 -21,-3.0 23,-0.3 23,-0.2 3,-0.1 -0.555 23.0-166.4 -71.7 138.4 6.9 10.5 38.6 68 86 A S E S- 0 0 54 21,-3.0 2,-0.3 1,-0.4 22,-0.2 0.669 74.0 -3.8 -94.8 -25.9 10.2 10.8 40.5 69 87 A K E -O 89 0C 76 20,-1.2 20,-3.1 -3,-0.1 -1,-0.4 -0.976 57.6-149.7-162.2 152.1 11.9 12.3 37.5 70 88 A S E -O 88 0C 38 -2,-0.3 2,-0.5 18,-0.2 18,-0.2 -0.970 9.2-162.6-123.0 143.8 11.4 13.0 33.9 71 89 A I E -O 87 0C 37 16,-3.2 16,-3.0 -2,-0.4 2,-0.3 -0.953 6.3-158.3-131.0 110.7 14.2 13.0 31.3 72 90 A V E -O 86 0C 46 -2,-0.5 14,-0.2 14,-0.3 12,-0.1 -0.665 40.8 -87.8 -86.1 142.1 13.5 14.7 28.1 73 91 A H > - 0 0 22 12,-2.5 3,-1.9 -2,-0.3 -1,-0.1 -0.169 34.9-123.7 -50.7 137.9 15.6 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 0.791 110.0 39.5 -54.6 -28.8 18.9 15.6 25.1 75 93 A S T 3 S+ 0 0 71 8,-0.1 2,-0.1 2,-0.1 -2,-0.1 0.168 79.3 142.5-110.4 17.1 18.2 16.7 21.5 76 94 A Y < - 0 0 52 -3,-1.9 2,-0.5 9,-0.1 7,-0.2 -0.395 31.6-165.0 -61.4 128.8 14.5 17.3 21.8 77 95 A N B >> -P 82 0D 65 5,-2.3 4,-2.0 -2,-0.1 5,-0.5 -0.976 9.0-162.2-117.1 116.8 13.6 20.4 19.7 78 96 A S T 45S+ 0 0 77 -2,-0.5 -1,-0.1 1,-0.2 -2,-0.0 0.664 87.5 56.9 -76.0 -15.3 10.1 21.6 20.6 79 97 A N T 45S+ 0 0 149 1,-0.1 -1,-0.2 3,-0.1 -3,-0.0 0.895 123.8 20.9 -79.5 -41.3 9.9 23.6 17.4 80 98 A T T 45S- 0 0 70 2,-0.1 -2,-0.2 -3,-0.1 77,-0.1 0.561 97.0-131.0-101.7 -12.6 10.4 20.7 15.0 81 99 A L T ><5 + 0 0 30 -4,-2.0 3,-0.9 1,-0.3 2,-0.2 0.632 48.7 161.7 63.1 18.4 9.4 18.0 17.5 82 100 A N B 3 < +P 77 0D 38 -5,-0.5 -5,-2.3 1,-0.3 -1,-0.3 -0.509 67.6 13.9 -65.4 133.9 12.6 16.2 16.5 83 101 A N T 3 S+ 0 0 14 -7,-0.2 2,-2.2 -2,-0.2 -10,-0.3 0.919 79.7 179.9 64.5 48.8 13.4 13.7 19.2 84 102 A D < + 0 0 0 -3,-0.9 2,-0.3 75,-0.2 123,-0.2 -0.522 37.1 114.3 -83.9 74.9 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 -0.997 36.3 174.5-147.4 141.8 10.7 11.4 23.5 86 104 A M E -MO 37 72C 0 -49,-2.3 -49,-3.0 -2,-0.3 2,-0.4 -0.989 21.2-137.5-148.8 146.6 11.0 11.5 27.2 87 105 A L E -MO 36 71C 0 -16,-3.0 -16,-3.2 -2,-0.3 2,-0.5 -0.832 13.7-162.7-103.1 140.7 11.4 9.1 29.9 88 106 A I E -MO 35 70C 0 -53,-3.1 -53,-2.8 -2,-0.4 2,-0.4 -0.988 8.0-150.1-123.9 124.1 9.4 9.2 33.1 89 107 A K E -MO 34 69C 31 -20,-3.1 -21,-3.0 -2,-0.5 -20,-1.2 -0.806 15.4-131.1 -94.7 137.7 10.6 7.3 36.2 90 108 A L E - 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0 0 26 -88,-1.4 -72,-0.3 -2,-0.4 2,-0.1 -0.990 45.1-111.6-149.7 148.3 2.6 -4.8 31.7 102 120 A S - 0 0 54 -2,-0.3 2,-0.5 -72,-0.1 -72,-0.3 -0.456 29.0-129.4 -77.1 156.5 5.6 -3.3 30.1 103 121 A I - 0 0 15 -74,-2.8 83,-0.1 -89,-0.2 -75,-0.0 -0.924 26.5-111.8-106.9 135.7 6.0 -3.2 26.4 104 122 A S B -c 186 0B 65 81,-0.7 83,-3.2 -2,-0.5 -73,-0.1 -0.341 25.6-124.4 -62.0 140.4 9.2 -4.4 24.8 105 123 A L - 0 0 29 81,-0.2 83,-0.1 -75,-0.2 2,-0.1 -0.517 38.0 -98.0 -74.7 153.0 11.4 -1.9 23.1 106 124 A P - 0 0 3 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.427 20.9-161.7 -72.1 153.3 12.2 -2.7 19.5 107 125 A T S S+ 0 0 125 1,-0.3 2,-0.3 -2,-0.1 -2,-0.0 0.582 85.1 22.2-102.7 -16.8 15.4 -4.5 18.6 108 127 A S S S- 0 0 76 -3,-0.0 -1,-0.3 0, 0.0 2,-0.1 -0.986 90.7 -98.6-143.7 155.7 14.9 -3.2 15.1 109 128 A c - 0 0 51 -2,-0.3 2,-0.1 -3,-0.1 79,-0.0 -0.384 41.9-119.6 -70.3 143.1 13.0 -0.5 13.3 110 129 A A - 0 0 24 78,-0.1 2,-0.3 -2,-0.1 -1,-0.1 -0.454 27.0-122.7 -80.3 157.9 9.7 -1.5 11.9 111 130 A S > - 0 0 81 -2,-0.1 3,-2.3 1,-0.1 31,-0.3 -0.776 31.3 -85.5 -98.0 157.9 9.1 -1.1 8.2 112 132 A A T 3 S+ 0 0 55 -2,-0.3 31,-0.2 1,-0.2 -1,-0.1 -0.175 117.4 35.6 -47.3 135.9 6.4 0.8 6.2 113 133 A G T 3 S+ 0 0 53 29,-3.4 -1,-0.2 1,-0.4 2,-0.2 0.117 81.4 129.8 99.9 -20.6 3.4 -1.5 5.9 114 134 A T < - 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