==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 08-DEC-11 4AB8 . COMPND 2 MOLECULE: CATIONIC TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR J.NEWMAN,T.S.PEAT . 223 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9174.0 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 . 3 1.3 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 . 1 0.4 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 . 13 5.8 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 A I 0 0 2 0, 0.0 2,-0.4 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 128.0 -13.6 5.2 12.8 2 17 A V B +A 171 0A 8 169,-3.0 169,-1.5 1,-0.2 123,-0.1 -0.848 360.0 9.7-104.7 135.8 -12.6 7.2 15.9 3 18 A G S S+ 0 0 46 121,-0.6 -1,-0.2 -2,-0.4 169,-0.1 0.723 103.6 118.6 73.0 18.7 -9.0 7.0 17.1 4 19 A G - 0 0 36 -3,-0.4 2,-0.3 167,-0.1 134,-0.2 -0.002 56.8-111.2-103.3-158.6 -7.9 5.1 14.0 5 20 A Y E -B 137 0B 91 132,-2.5 132,-2.7 -3,-0.1 2,-0.4 -0.957 34.6 -90.2-131.4 161.0 -5.4 5.6 11.2 6 21 A T E -B 136 0B 74 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.538 37.0-149.0 -66.7 118.3 -5.4 6.2 7.5 7 22 A a - 0 0 18 128,-2.2 -1,-0.2 -2,-0.4 129,-0.1 0.928 35.0-113.6 -57.1 -46.9 -5.3 2.7 6.0 8 23 A G > - 0 0 26 127,-0.5 3,-1.8 -3,-0.1 4,-0.2 0.004 48.9 -58.0 112.8 140.5 -3.5 3.6 2.9 9 24 A A T 3 S- 0 0 56 1,-0.3 44,-0.1 2,-0.1 43,-0.0 -0.180 118.2 -8.3 -53.4 127.4 -5.1 3.3 -0.6 10 25 A N T 3 S+ 0 0 29 42,-0.3 -1,-0.3 2,-0.1 43,-0.1 0.590 90.8 127.0 61.7 20.4 -6.4 -0.3 -1.4 11 26 A T S < S+ 0 0 79 -3,-1.8 -2,-0.1 1,-0.3 -1,-0.1 0.569 75.4 44.3 -78.4 -12.3 -4.8 -1.8 1.6 12 27 A V S > S+ 0 0 7 -4,-0.2 3,-2.2 87,-0.1 -1,-0.3 -0.729 75.1 174.4-130.1 73.9 -8.2 -3.3 2.6 13 28 A P T 3 S+ 0 0 33 0, 0.0 88,-1.9 0, 0.0 38,-0.3 0.571 71.5 58.2 -76.7 -5.3 -9.3 -4.6 -0.8 14 29 A Y T 3 S+ 0 0 21 86,-0.2 15,-2.5 88,-0.1 2,-0.4 0.457 82.0 108.7 -92.9 -6.5 -12.4 -6.4 0.4 15 30 A Q E < -J 28 0C 5 -3,-2.2 36,-0.4 13,-0.2 37,-0.4 -0.583 49.2-177.3 -72.5 124.7 -13.8 -3.1 1.8 16 31 A V E -J 27 0C 1 11,-2.4 11,-1.4 -2,-0.4 2,-0.5 -0.845 21.0-136.8-115.8 160.5 -16.7 -1.8 -0.3 17 32 A S E -JK 26 49C 1 32,-2.5 32,-3.0 -2,-0.3 2,-0.5 -0.959 13.8-141.4-107.9 135.6 -18.7 1.4 0.0 18 33 A L E -JK 25 48C 0 7,-2.9 6,-2.9 -2,-0.5 7,-1.1 -0.845 24.8-169.0 -97.9 125.5 -22.5 1.2 -0.4 19 34 A N E +JK 23 47C 18 28,-2.9 28,-2.4 -2,-0.5 4,-0.2 -0.961 29.2 169.8-118.9 137.2 -23.7 4.2 -2.3 20 37 A S S S- 0 0 30 2,-2.3 3,-0.1 -2,-0.4 26,-0.1 -0.240 97.6 -45.6-132.7 49.7 -27.3 5.5 -2.9 21 38 A G S S+ 0 0 70 26,-0.1 2,-0.3 1,-0.0 -2,-0.1 0.265 141.5 25.9 106.6 -7.4 -26.2 8.9 -4.4 22 39 A Y S S- 0 0 134 -4,-0.0 -2,-2.3 0, 0.0 2,-0.2 -0.928 103.5 -77.1-171.8 159.5 -23.7 9.2 -1.5 23 40 A H E +J 19 0C 41 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.511 52.0 157.1 -69.1 135.7 -21.8 6.8 0.8 24 41 A F E - 0 0 34 -6,-2.9 2,-0.3 1,-0.4 151,-0.2 0.560 57.8 -0.0-135.0 -16.1 -24.1 5.4 3.5 25 42 A b E -J 18 0C 6 -7,-1.1 -7,-2.9 151,-0.1 -1,-0.4 -0.970 62.3-119.6-160.0 163.0 -22.6 2.0 4.8 26 43 A G E +J 17 0C 1 151,-2.8 12,-0.4 -2,-0.3 2,-0.3 -0.469 27.4 178.8 -93.9 178.7 -19.7 -0.3 4.3 27 44 A G E -J 16 0C 0 -11,-1.4 -11,-2.4 -2,-0.2 2,-0.4 -0.943 23.6-116.2-166.4 177.5 -19.7 -3.9 3.3 28 45 A S E -JL 15 36C 0 8,-2.4 8,-2.9 -2,-0.3 2,-0.5 -0.991 19.0-130.3-130.7 133.3 -17.3 -6.8 2.6 29 46 A L E + L 0 35C 0 -15,-2.5 74,-2.2 -2,-0.4 6,-0.2 -0.657 27.1 174.3 -82.7 120.9 -16.8 -8.6 -0.7 30 47 A I E - 0 0 19 4,-2.6 2,-0.3 -2,-0.5 5,-0.2 0.685 68.6 -10.3-106.6 -19.1 -17.0 -12.3 -0.0 31 48 A N E > S- L 0 34C 52 3,-1.3 3,-0.9 70,-0.1 -1,-0.4 -0.929 89.8 -77.9-158.6 178.2 -16.8 -13.5 -3.7 32 49 A S T 3 S+ 0 0 33 -2,-0.3 62,-2.7 1,-0.2 60,-0.1 0.712 127.7 30.2 -57.8 -18.3 -16.9 -11.9 -7.0 33 50 A Q T 3 S+ 0 0 82 60,-0.2 57,-3.1 1,-0.1 2,-0.4 0.503 111.0 67.7-118.1 3.6 -20.6 -11.5 -7.1 34 51 A W E < -LM 31 89C 3 -3,-0.9 -4,-2.6 55,-0.2 -3,-1.3 -0.964 47.8-172.3-134.3 140.3 -21.6 -11.1 -3.4 35 52 A V E -LM 29 88C 0 53,-2.9 53,-2.9 -2,-0.4 2,-0.4 -0.945 14.4-147.2-120.4 142.4 -21.2 -8.6 -0.6 36 53 A V E +LM 28 87C 0 -8,-2.9 -8,-2.4 -2,-0.4 2,-0.2 -0.909 31.8 150.2-108.7 135.7 -22.1 -9.0 3.1 37 54 A S E - M 0 86C 0 49,-2.6 49,-2.4 -2,-0.4 2,-0.3 -0.719 49.8 -67.0-140.5-168.6 -23.3 -5.9 5.0 38 55 A A > - 0 0 0 -12,-0.4 3,-1.5 47,-0.3 47,-0.3 -0.732 32.4-133.9 -89.7 139.2 -25.6 -5.1 8.0 39 56 A A G > S+ 0 0 3 -2,-0.3 3,-1.9 1,-0.3 -1,-0.1 0.800 107.8 65.0 -57.9 -30.6 -29.4 -5.6 7.6 40 57 A H G 3 S+ 0 0 67 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.676 93.4 62.2 -71.4 -14.4 -29.8 -2.1 9.2 41 58 A b G < S+ 0 0 5 -3,-1.5 -1,-0.3 -15,-0.1 -2,-0.2 0.432 78.4 133.8 -81.0 -3.5 -28.0 -0.8 6.0 42 59 A Y < + 0 0 126 -3,-1.9 2,-0.3 -4,-0.1 -3,-0.1 -0.253 18.5 143.4 -57.4 134.7 -30.8 -2.1 3.8 43 60 A K - 0 0 54 0, 0.0 3,-0.3 0, 0.0 2,-0.1 -0.950 48.9-107.6-153.1 159.0 -32.2 0.2 1.1 44 61 A S S S+ 0 0 97 -2,-0.3 25,-0.0 1,-0.2 0, 0.0 -0.516 97.4 34.6 -75.1 159.6 -33.5 -0.3 -2.5 45 62 A G S S+ 0 0 70 1,-0.2 2,-0.3 -2,-0.1 -1,-0.2 0.895 75.6 172.0 70.3 37.4 -31.2 0.9 -5.3 46 63 A I - 0 0 6 -3,-0.3 21,-2.7 -26,-0.1 2,-0.5 -0.659 20.0-159.1 -79.7 136.3 -27.8 0.3 -3.8 47 64 A Q E -KN 19 66C 53 -28,-2.4 -28,-2.9 -2,-0.3 2,-0.4 -0.986 14.9-141.3-107.8 130.2 -24.7 0.7 -6.0 48 65 A V E -KN 18 65C 0 17,-2.8 17,-2.6 -2,-0.5 2,-0.6 -0.739 11.5-158.6 -91.2 129.3 -21.6 -1.2 -4.7 49 66 A R E -KN 17 64C 50 -32,-3.0 -32,-2.5 -2,-0.4 3,-0.3 -0.957 13.4-177.8-117.2 115.5 -18.3 0.7 -5.0 50 67 A L E + N 0 63C 2 13,-3.0 13,-2.3 -2,-0.6 -34,-0.1 -0.709 60.9 30.8-108.0 157.9 -15.3 -1.5 -4.9 51 69 A G S S+ 0 0 5 -36,-0.4 2,-0.3 48,-0.3 10,-0.3 0.673 84.3 153.8 67.8 19.3 -11.5 -0.5 -5.1 52 70 A E + 0 0 10 -37,-0.4 -42,-0.3 -3,-0.3 -1,-0.2 -0.566 20.5 153.3 -81.0 141.1 -12.3 2.8 -3.3 53 71 A D S S+ 0 0 14 1,-0.4 2,-0.9 4,-0.3 -1,-0.2 0.412 79.9 30.1-116.9 -73.3 -9.9 4.8 -1.3 54 72 A N S > S- 0 0 27 80,-0.2 3,-1.2 1,-0.2 -1,-0.4 -0.707 72.9-161.0 -79.9 115.6 -11.0 8.4 -1.4 55 73 A I T 3 S+ 0 0 30 78,-2.7 -1,-0.2 -2,-0.9 79,-0.1 0.620 87.0 53.9 -75.5 -3.9 -14.8 8.1 -1.9 56 74 A N T 3 S+ 0 0 118 77,-0.2 2,-0.4 1,-0.1 -1,-0.2 0.414 106.1 54.8-105.9 -2.7 -15.0 11.7 -3.2 57 75 A V S < S- 0 0 75 -3,-1.2 2,-0.7 76,-0.2 -4,-0.3 -0.997 79.0-126.3-137.8 130.2 -12.4 11.4 -6.0 58 76 A V + 0 0 112 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.0 -0.754 32.1 174.5 -77.3 115.4 -12.1 9.0 -8.9 59 77 A E - 0 0 97 -2,-0.7 -1,-0.2 -5,-0.2 -7,-0.0 0.535 50.3-102.8-102.8 -15.4 -8.6 7.6 -8.4 60 78 A G S S+ 0 0 57 -9,-0.0 -2,-0.1 0, 0.0 -8,-0.1 0.353 102.8 77.4 114.0 1.5 -8.6 5.0 -11.2 61 79 A N + 0 0 59 -10,-0.3 2,-0.1 38,-0.0 38,-0.1 0.320 66.4 116.8-119.7 5.9 -9.1 1.6 -9.4 62 80 A E - 0 0 34 -13,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.397 43.4-163.1 -72.2 154.6 -12.8 1.7 -8.6 63 81 A Q E -N 50 0C 36 -13,-2.3 -13,-3.0 -2,-0.1 2,-0.6 -0.997 5.6-162.0-131.7 128.0 -15.5 -0.5 -9.9 64 82 A F E +N 49 0C 82 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.963 17.9 169.0-109.9 120.4 -19.2 0.7 -9.5 65 83 A I E -N 48 0C 13 -17,-2.6 -17,-2.8 -2,-0.6 2,-0.1 -0.993 29.6-128.5-138.4 125.1 -21.7 -2.2 -9.8 66 84 A S E -N 47 0C 52 -2,-0.4 25,-2.7 -19,-0.3 26,-0.3 -0.410 29.0-110.7 -69.0 149.7 -25.4 -1.9 -9.1 67 85 A A E -O 90 0C 19 -21,-2.7 23,-0.3 23,-0.2 3,-0.1 -0.596 21.5-165.7 -75.5 144.8 -27.0 -4.6 -6.7 68 86 A S E S+ 0 0 64 21,-2.5 2,-0.3 1,-0.3 22,-0.2 0.727 73.2 2.7 -97.7 -23.1 -29.4 -7.0 -8.4 69 87 A K E -O 89 0C 92 20,-1.0 20,-2.4 2,-0.0 2,-0.4 -0.994 57.3-151.2-158.9 148.6 -30.8 -8.3 -5.1 70 88 A S E -O 88 0C 40 -2,-0.3 2,-0.4 18,-0.2 18,-0.2 -0.964 9.7-166.2-119.8 145.2 -30.7 -7.8 -1.4 71 89 A I E -O 87 0C 34 16,-2.8 16,-2.8 -2,-0.4 2,-0.3 -0.908 4.7-161.1-133.4 110.0 -31.4 -10.5 1.1 72 90 A V E -O 86 0C 51 -2,-0.4 14,-0.2 14,-0.2 12,-0.1 -0.591 40.5 -90.2 -84.1 141.5 -31.9 -9.5 4.7 73 91 A H > - 0 0 21 12,-2.3 3,-1.8 -2,-0.3 -1,-0.1 -0.211 33.5-122.9 -54.2 143.2 -31.5 -12.3 7.2 74 92 A P T 3 S+ 0 0 98 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.807 109.9 41.0 -59.7 -28.2 -34.8 -14.1 7.9 75 93 A S T 3 S+ 0 0 73 8,-0.1 -2,-0.1 2,-0.1 9,-0.1 0.273 78.0 142.8-107.3 17.3 -34.6 -13.4 11.6 76 94 A Y < - 0 0 55 -3,-1.8 2,-0.5 9,-0.1 7,-0.2 -0.302 31.9-164.6 -56.7 127.0 -33.4 -9.8 11.5 77 95 A N B >>> -P 82 0D 68 5,-2.2 4,-2.3 1,-0.1 3,-0.9 -0.956 10.6-166.1-118.4 107.8 -35.1 -7.8 14.2 78 96 A S T 345S+ 0 0 81 -2,-0.5 -1,-0.1 1,-0.2 -2,-0.1 0.642 85.9 62.3 -70.9 -13.5 -34.8 -4.1 13.8 79 97 A N T 345S+ 0 0 149 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.779 123.8 16.1 -79.0 -29.7 -35.9 -3.4 17.4 80 98 A T T <45S- 0 0 71 -3,-0.9 -2,-0.2 2,-0.1 -1,-0.1 0.484 96.3-126.0-120.3 -8.1 -33.0 -5.3 18.9 81 99 A L T ><5 + 0 0 37 -4,-2.3 3,-0.8 1,-0.3 2,-0.2 0.597 53.1 159.5 61.5 17.3 -30.6 -5.5 15.9 82 100 A N B 3 < +P 77 0D 35 -5,-0.6 -5,-2.2 1,-0.2 -1,-0.3 -0.472 66.7 15.7 -67.6 135.2 -30.5 -9.2 16.5 83 101 A N T 3 S+ 0 0 15 -7,-0.2 2,-2.1 1,-0.2 -10,-0.2 0.919 79.8 179.2 70.0 45.4 -29.3 -11.0 13.2 84 102 A D < + 0 0 1 -3,-0.8 2,-0.3 75,-0.2 -1,-0.2 -0.502 36.4 111.9 -83.4 83.0 -28.0 -7.7 11.7 85 103 A I + 0 0 0 -2,-2.1 -12,-2.3 -47,-0.3 2,-0.3 -0.998 37.4 175.8-153.2 141.7 -26.7 -9.2 8.5 86 104 A M E -MO 37 72C 0 -49,-2.4 -49,-2.6 -2,-0.3 2,-0.4 -0.981 21.2-134.3-144.8 159.6 -27.6 -9.0 4.9 87 105 A L E -MO 36 71C 0 -16,-2.8 -16,-2.8 -2,-0.3 2,-0.4 -0.926 14.1-164.7-110.1 141.9 -26.4 -10.3 1.5 88 106 A I E -MO 35 70C 0 -53,-2.9 -53,-2.9 -2,-0.4 2,-0.4 -0.990 7.5-152.8-129.0 124.2 -26.1 -8.1 -1.6 89 107 A K E -MO 34 69C 45 -20,-2.4 -21,-2.5 -2,-0.4 -20,-1.0 -0.837 18.1-129.2 -97.8 139.4 -25.7 -9.7 -5.1 90 108 A L E - 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