==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-APR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 26-NOV-09 3AAV . COMPND 2 MOLECULE: CATIONIC TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR D.IYAGUCHI,S.KAWANO,E.TOYOTA . 446 2 12 12 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18323.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 275 61.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 142 31.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 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 . 33 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 29 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 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 2 0 2 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 . 2 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 . 8 4 4 10 4 2 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 2 0 2 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 1 A I 0 0 2 0, 0.0 2,-0.4 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 122.6 -24.5 29.9 -4.9 2 2 A V B +A 171 0A 9 169,-3.1 169,-1.8 1,-0.2 123,-0.1 -0.858 360.0 6.4-104.1 135.2 -26.7 29.8 -7.9 3 3 A G S S+ 0 0 44 121,-0.6 -1,-0.2 -2,-0.4 169,-0.1 0.716 104.1 118.7 70.5 20.7 -28.4 26.6 -9.1 4 4 A G - 0 0 33 -3,-0.4 2,-0.3 167,-0.1 134,-0.2 -0.054 57.0-115.2 -99.4-156.5 -27.2 24.8 -6.0 5 5 A Y E -B 137 0B 92 132,-2.5 132,-3.8 -3,-0.1 2,-0.6 -0.930 33.2 -85.6-142.0 164.1 -29.0 23.0 -3.1 6 6 A T E -B 136 0B 75 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.622 36.3-152.3 -72.9 115.9 -29.4 23.3 0.6 7 7 A a - 0 0 18 128,-1.7 -1,-0.2 -2,-0.6 129,-0.1 0.904 36.9-113.9 -55.4 -47.5 -26.4 21.5 2.1 8 8 A G > - 0 0 26 127,-0.5 3,-2.0 -3,-0.1 4,-0.3 -0.031 49.0 -51.1 114.4 139.1 -28.1 20.5 5.3 9 9 A A T 3 S- 0 0 59 1,-0.3 44,-0.1 2,-0.1 43,-0.0 -0.142 120.1 -14.6 -47.3 118.7 -27.2 21.8 8.8 10 10 A N T 3 S+ 0 0 26 42,-0.3 -1,-0.3 2,-0.1 43,-0.1 0.698 88.9 132.2 60.2 25.6 -23.5 21.4 9.5 11 11 A T S < S+ 0 0 81 -3,-2.0 -2,-0.1 1,-0.3 -1,-0.1 0.594 75.5 48.4 -79.5 -11.0 -22.8 19.0 6.5 12 12 A V S > S+ 0 0 7 -4,-0.3 3,-1.9 87,-0.1 -1,-0.3 -0.687 73.1 175.5-127.8 72.7 -19.8 21.2 5.6 13 13 A P T 3 S+ 0 0 32 0, 0.0 88,-1.1 0, 0.0 38,-0.3 0.602 74.3 56.5 -56.1 -18.8 -18.1 21.5 9.0 14 14 A Y T 3 S+ 0 0 21 86,-0.2 15,-2.4 88,-0.1 2,-0.3 0.531 81.9 106.5 -92.7 -8.6 -15.1 23.4 7.7 15 15 A Q E < -J 28 0C 5 -3,-1.9 37,-0.4 13,-0.2 36,-0.4 -0.561 50.1-175.9 -74.3 128.3 -17.2 26.2 6.2 16 16 A V E -J 27 0C 1 11,-2.4 11,-1.2 -2,-0.3 2,-0.5 -0.851 20.6-137.1-122.9 160.6 -17.0 29.4 8.2 17 17 A S E -JK 26 49C 0 32,-2.2 32,-2.5 -2,-0.3 2,-0.5 -0.971 14.2-142.0-116.5 130.2 -18.7 32.8 7.9 18 18 A L E -JK 25 48C 0 7,-3.1 6,-2.4 -2,-0.5 7,-1.0 -0.835 24.3-166.6 -92.5 127.0 -16.6 36.0 8.3 19 19 A N E +JK 23 47C 21 28,-2.8 28,-2.2 -2,-0.5 4,-0.2 -0.961 30.1 167.7-123.0 130.6 -18.7 38.5 10.2 20 20 A S S S- 0 0 30 2,-2.1 3,-0.1 -2,-0.4 26,-0.1 -0.268 97.4 -46.5-128.6 41.7 -18.1 42.3 10.6 21 21 A G S S+ 0 0 69 26,-0.1 2,-0.3 1,-0.1 -2,-0.1 0.195 140.3 26.9 109.1 -8.7 -21.6 43.0 12.0 22 22 A Y S S- 0 0 130 -4,-0.0 -2,-2.1 0, 0.0 2,-0.3 -0.941 103.5 -78.1-170.5 158.9 -23.0 40.9 9.1 23 23 A H E +J 19 0C 37 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.528 53.5 156.8 -68.7 130.5 -21.9 38.0 7.0 24 24 A F E + 0 0 31 -6,-2.4 2,-0.3 1,-0.4 151,-0.2 0.566 58.1 4.4-130.9 -16.5 -19.6 39.3 4.3 25 25 A b E -J 18 0C 6 -7,-1.0 -7,-3.1 151,-0.1 -1,-0.4 -0.984 62.5-120.4-163.1 161.8 -17.4 36.4 3.1 26 26 A G E +J 17 0C 1 151,-3.1 12,-0.4 -2,-0.3 2,-0.3 -0.473 28.0 178.2-100.3 177.5 -16.8 32.7 3.5 27 27 A G E -J 16 0C 0 -11,-1.2 -11,-2.4 -2,-0.2 2,-0.4 -0.962 23.7-118.3-167.3 171.8 -13.7 30.9 4.7 28 28 A S E -JL 15 36C 0 8,-2.4 8,-2.8 -2,-0.3 2,-0.5 -0.990 19.2-131.1-129.9 130.9 -12.3 27.4 5.5 29 29 A L E + L 0 35C 0 -15,-2.4 74,-2.4 -2,-0.4 6,-0.2 -0.666 26.4 173.8 -78.6 120.4 -11.0 26.1 8.8 30 30 A I E - 0 0 19 4,-2.4 2,-0.3 -2,-0.5 -1,-0.2 0.677 68.0 -12.8-101.3 -21.5 -7.6 24.5 8.2 31 31 A N E > S- L 0 34C 50 3,-1.3 3,-1.0 70,-0.1 -1,-0.4 -0.947 87.6 -76.7-163.5 173.4 -6.8 23.8 11.9 32 32 A S T 3 S+ 0 0 34 -2,-0.3 62,-3.2 1,-0.2 60,-0.1 0.699 128.8 30.3 -53.4 -21.8 -8.1 24.8 15.4 33 33 A Q T 3 S+ 0 0 82 60,-0.2 57,-2.5 1,-0.1 2,-0.4 0.465 111.1 67.4-118.0 -3.1 -6.5 28.2 15.2 34 34 A W E < -LM 31 89C 5 -3,-1.0 -4,-2.4 55,-0.2 -3,-1.3 -0.962 47.1-172.4-132.7 142.3 -6.4 29.1 11.4 35 35 A V E -LM 29 88C 0 53,-2.5 53,-2.6 -2,-0.4 2,-0.4 -0.951 14.4-147.4-124.5 142.2 -8.8 30.0 8.6 36 36 A V E +LM 28 87C 0 -8,-2.8 -8,-2.4 -2,-0.4 2,-0.2 -0.926 32.2 147.8-109.9 132.8 -8.1 30.4 4.9 37 37 A S E - M 0 86C 0 49,-2.6 49,-2.2 -2,-0.4 2,-0.3 -0.718 49.8 -65.7-143.7-166.0 -10.1 32.9 2.9 38 38 A A > - 0 0 0 -12,-0.4 3,-1.8 47,-0.3 47,-0.3 -0.740 32.6-134.3 -94.1 141.2 -9.7 35.3 -0.1 39 39 A A G > S+ 0 0 2 -2,-0.3 3,-1.9 1,-0.3 -1,-0.1 0.820 106.3 64.0 -61.9 -29.8 -7.4 38.3 0.2 40 40 A H G 3 S+ 0 0 64 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.589 92.9 64.9 -72.5 -4.4 -10.1 40.5 -1.4 41 41 A b G < S+ 0 0 4 -3,-1.8 -1,-0.3 -15,-0.0 -2,-0.2 0.414 77.2 132.9 -92.4 -0.8 -12.2 39.7 1.8 42 42 A Y < + 0 0 134 -3,-1.9 2,-0.3 -4,-0.1 -3,-0.0 -0.211 19.7 133.2 -56.5 139.8 -9.7 41.5 3.9 43 43 A K - 0 0 55 3,-0.0 3,-0.3 0, 0.0 2,-0.1 -0.921 51.1-100.3-176.0 158.6 -10.9 44.0 6.5 44 44 A S S S+ 0 0 99 -2,-0.3 0, 0.0 1,-0.2 0, 0.0 -0.475 94.7 39.1 -87.4 163.4 -10.4 44.9 10.1 45 45 A G S S+ 0 0 71 1,-0.2 2,-0.4 -2,-0.1 -1,-0.2 0.907 75.4 171.6 66.8 45.2 -12.6 43.8 13.0 46 46 A I - 0 0 9 -3,-0.3 21,-2.6 21,-0.1 2,-0.5 -0.706 19.6-165.4 -91.9 136.1 -13.4 40.3 11.7 47 47 A Q E -KN 19 66C 50 -28,-2.2 -28,-2.8 -2,-0.4 2,-0.4 -0.985 16.0-140.9-117.9 125.7 -15.2 37.7 13.8 48 48 A V E -KN 18 65C 0 17,-3.3 17,-2.9 -2,-0.5 2,-0.6 -0.748 12.7-158.3 -88.9 131.4 -15.0 34.1 12.6 49 49 A R E -KN 17 64C 49 -32,-2.5 -32,-2.2 -2,-0.4 3,-0.3 -0.944 13.2-178.5-116.1 114.9 -18.3 32.2 12.9 50 50 A L E + N 0 63C 1 13,-2.9 13,-1.8 -2,-0.6 -34,-0.1 -0.675 60.1 33.0-107.6 162.3 -18.0 28.4 12.9 51 51 A G S S+ 0 0 6 -36,-0.4 10,-0.3 48,-0.4 2,-0.3 0.785 85.4 153.8 64.6 29.0 -20.7 25.7 13.2 52 52 A E + 0 0 10 -37,-0.4 -42,-0.3 -3,-0.3 -1,-0.2 -0.627 22.3 148.8 -94.2 147.1 -23.1 27.9 11.3 53 53 A D S S+ 0 0 15 1,-0.4 2,-0.8 4,-0.3 -1,-0.1 0.291 80.5 31.7-131.1 -81.2 -26.1 26.9 9.1 54 54 A N S > S- 0 0 31 80,-0.2 3,-1.1 3,-0.2 -1,-0.4 -0.733 73.3-160.9 -81.6 115.0 -28.7 29.7 9.3 55 55 A I T 3 S+ 0 0 28 78,-2.7 -1,-0.2 -2,-0.8 79,-0.1 0.528 86.2 53.0 -75.9 -3.7 -26.5 32.8 9.8 56 56 A N T 3 S+ 0 0 117 77,-0.2 2,-0.4 1,-0.1 -1,-0.2 0.323 105.0 59.9-110.1 5.4 -29.5 34.8 11.2 57 57 A V S < S- 0 0 71 -3,-1.1 2,-0.8 76,-0.2 -4,-0.3 -0.996 76.7-131.0-138.7 130.6 -30.5 32.3 13.9 58 58 A V + 0 0 113 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.1 -0.711 32.5 172.5 -78.8 111.3 -28.5 30.9 16.9 59 59 A E - 0 0 102 -2,-0.8 -1,-0.2 -5,-0.2 -7,-0.0 0.552 51.0 -97.8-101.6 -9.3 -29.2 27.2 16.5 60 60 A G S S+ 0 0 59 -9,-0.0 -2,-0.1 0, 0.0 -8,-0.1 0.281 104.8 73.3 117.0 -14.2 -26.9 25.7 19.1 61 61 A N + 0 0 59 -10,-0.3 2,-0.1 38,-0.0 -9,-0.0 0.268 67.4 121.0-117.7 14.0 -23.7 24.6 17.5 62 62 A E - 0 0 36 -13,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.363 39.6-167.4 -80.2 156.3 -22.0 28.0 16.7 63 63 A Q E -N 50 0C 39 -13,-1.8 -13,-2.9 -2,-0.1 2,-0.6 -0.961 6.9-162.3-140.7 117.1 -18.7 29.2 17.9 64 64 A F E +N 49 0C 80 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.933 16.7 172.1-105.6 120.0 -17.9 33.0 17.4 65 65 A I E -N 48 0C 14 -17,-2.9 -17,-3.3 -2,-0.6 2,-0.1 -0.990 27.8-128.3-134.0 127.8 -14.2 33.8 17.7 66 66 A S E -N 47 0C 55 -2,-0.4 25,-2.9 -19,-0.3 26,-0.3 -0.391 28.3-113.9 -70.9 147.7 -12.5 37.1 16.9 67 67 A A E -O 90 0C 18 -21,-2.6 23,-0.3 23,-0.2 3,-0.1 -0.639 23.4-169.6 -81.3 138.1 -9.6 37.2 14.6 68 68 A S E S+ 0 0 57 21,-2.8 2,-0.3 1,-0.4 22,-0.2 0.724 71.7 8.8 -97.6 -27.6 -6.3 38.2 16.3 69 69 A K E -O 89 0C 91 20,-1.1 20,-2.8 2,-0.0 2,-0.4 -0.992 58.5-157.8-155.2 145.1 -4.3 38.6 13.1 70 70 A S E -O 88 0C 44 -2,-0.3 2,-0.4 18,-0.2 18,-0.2 -0.976 6.5-167.0-125.0 138.6 -4.8 38.7 9.3 71 71 A I E -O 87 0C 35 16,-2.9 16,-2.5 -2,-0.4 2,-0.2 -0.903 4.9-161.1-131.4 103.9 -2.2 37.9 6.7 72 72 A V E -O 86 0C 48 -2,-0.4 14,-0.2 14,-0.2 12,-0.1 -0.570 43.5 -87.0 -78.7 145.1 -2.9 38.8 3.1 73 73 A H > - 0 0 23 12,-2.2 3,-1.8 10,-0.3 -1,-0.1 -0.229 35.1-123.4 -53.0 138.8 -0.6 37.0 0.6 74 74 A P T 3 S+ 0 0 100 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.807 110.3 40.9 -55.3 -29.7 2.6 39.0 0.1 75 75 A S T 3 S+ 0 0 71 8,-0.1 -2,-0.1 2,-0.1 7,-0.1 0.241 79.6 142.2-105.3 13.5 2.0 39.1 -3.6 76 76 A Y < - 0 0 55 -3,-1.8 2,-0.5 9,-0.1 7,-0.2 -0.319 32.3-163.5 -58.3 131.4 -1.7 39.8 -3.7 77 77 A N B >> -P 82 0D 64 5,-2.0 4,-2.3 1,-0.1 5,-0.6 -0.959 7.8-163.3-120.4 109.2 -2.7 42.2 -6.4 78 78 A S T 45S+ 0 0 77 -2,-0.5 -1,-0.1 1,-0.2 -2,-0.0 0.685 86.6 58.7 -66.7 -19.0 -6.2 43.7 -5.9 79 79 A N T 45S+ 0 0 149 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.898 123.8 18.8 -77.4 -40.5 -6.5 44.9 -9.5 80 80 A T T 45S- 0 0 72 -3,-0.3 -2,-0.2 2,-0.1 -1,-0.1 0.546 96.1-129.5-104.5 -12.9 -6.1 41.4 -11.1 81 81 A L T ><5 + 0 0 31 -4,-2.3 3,-1.0 1,-0.3 2,-0.3 0.672 49.7 160.2 67.1 19.8 -6.9 39.3 -8.0 82 82 A N B 3 < +P 77 0D 38 -5,-0.6 -5,-2.0 1,-0.3 -1,-0.3 -0.565 68.3 16.3 -71.9 135.5 -3.7 37.3 -8.6 83 83 A N T 3 S+ 0 0 17 -2,-0.3 2,-2.2 -7,-0.2 -10,-0.3 0.890 81.3 178.6 67.1 42.1 -2.7 35.5 -5.3 84 84 A D < + 0 0 0 -3,-1.0 2,-0.3 75,-0.2 -1,-0.2 -0.482 36.0 110.6 -78.0 74.9 -6.2 36.1 -3.9 85 85 A I + 0 0 0 -2,-2.2 -12,-2.2 -47,-0.3 2,-0.3 -0.997 37.5 175.7-150.2 144.6 -5.6 34.3 -0.6 86 86 A M E -MO 37 72C 0 -49,-2.2 -49,-2.6 -2,-0.3 2,-0.4 -0.992 20.6-135.5-149.1 152.5 -5.3 35.3 3.1 87 87 A L E -MO 36 71C 0 -16,-2.5 -16,-2.9 -2,-0.3 2,-0.4 -0.866 14.1-163.3-110.2 145.1 -4.8 33.6 6.4 88 88 A I E -MO 35 70C 0 -53,-2.6 -53,-2.5 -2,-0.4 2,-0.4 -0.993 6.9-151.5-130.7 124.0 -6.8 34.6 9.6 89 89 A K E -MO 34 69C 44 -20,-2.8 -21,-2.8 -2,-0.4 -20,-1.1 -0.798 17.3-128.9 -97.5 138.2 -5.7 33.5 13.1 90 90 A L E - 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