==== 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 4ABA . 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) . 9270.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 135 60.5 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 . 69 30.9 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 . 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 . 14 6.3 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 . 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 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 . 3 2 2 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 0.000 360.0 360.0 360.0 123.3 8.0 -20.6 14.6 2 17 A V B +A 171 0A 10 169,-3.0 169,-1.8 1,-0.2 123,-0.1 -0.876 360.0 6.2 -99.6 133.0 10.3 -19.8 17.5 3 18 A G S S+ 0 0 47 121,-0.5 -1,-0.2 -2,-0.5 169,-0.1 0.735 102.2 121.8 74.0 20.9 12.0 -22.6 19.4 4 19 A G - 0 0 35 -3,-0.3 2,-0.3 167,-0.1 134,-0.2 0.007 56.3-113.1 -95.4-157.6 10.8 -25.3 16.9 5 20 A Y E -B 137 0B 97 132,-2.3 132,-2.8 -3,-0.1 2,-0.5 -0.936 35.0 -87.9-140.3 155.4 12.5 -27.9 14.7 6 21 A T E -B 136 0B 73 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.582 36.9-150.9 -64.4 120.4 13.0 -28.4 10.9 7 22 A a - 0 0 18 128,-2.0 -1,-0.2 -2,-0.5 129,-0.1 0.881 35.1-113.1 -62.0 -41.9 9.9 -30.5 9.9 8 23 A G > - 0 0 26 127,-0.5 3,-1.9 -3,-0.0 4,-0.3 0.023 47.3 -57.1 105.4 141.1 11.5 -32.3 7.1 9 24 A A T 3 S- 0 0 44 1,-0.3 44,-0.1 2,-0.1 43,-0.0 -0.222 117.3 -11.4 -62.6 127.7 10.5 -31.9 3.4 10 25 A N T 3 S+ 0 0 21 42,-0.3 -1,-0.3 2,-0.1 43,-0.1 0.665 91.9 125.2 63.1 22.4 6.9 -32.6 2.7 11 26 A T S < S+ 0 0 84 -3,-1.9 -2,-0.1 1,-0.2 -1,-0.1 0.509 74.1 51.9 -86.4 -4.7 6.2 -34.1 6.1 12 27 A V S > S+ 0 0 8 -4,-0.3 3,-2.0 87,-0.1 -1,-0.2 -0.780 74.1 174.9-124.6 71.4 3.3 -31.7 6.7 13 28 A P T 3 S+ 0 0 30 0, 0.0 88,-1.5 0, 0.0 38,-0.3 0.645 71.8 54.9 -73.0 -12.9 1.5 -32.3 3.4 14 29 A Y T 3 S+ 0 0 20 86,-0.2 15,-2.4 88,-0.1 2,-0.4 0.451 82.3 108.8 -89.9 -8.1 -1.5 -30.1 4.1 15 30 A Q E < -J 28 0C 5 -3,-2.0 36,-0.5 13,-0.2 37,-0.4 -0.631 48.0-177.5 -71.3 121.9 0.7 -27.0 4.8 16 31 A V E -J 27 0C 1 11,-2.4 11,-1.3 -2,-0.4 2,-0.4 -0.875 21.0-136.6-115.8 158.0 0.4 -24.4 2.0 17 32 A S E -JK 26 49C 1 32,-2.3 32,-2.8 -2,-0.3 2,-0.5 -0.938 15.1-140.2-103.1 131.3 2.2 -21.0 1.5 18 33 A L E -JK 25 48C 0 7,-3.1 6,-2.5 -2,-0.4 7,-0.9 -0.857 25.4-168.5 -92.2 124.8 0.2 -18.0 0.4 19 34 A N E +JK 23 47C 19 28,-2.7 28,-2.8 -2,-0.5 4,-0.2 -0.951 30.6 166.4-124.2 131.2 2.2 -16.1 -2.1 20 37 A S S S- 0 0 31 2,-2.3 3,-0.1 -2,-0.4 26,-0.1 -0.319 97.8 -44.5-130.3 45.0 1.6 -12.6 -3.5 21 38 A G S S+ 0 0 68 26,-0.1 2,-0.3 1,-0.0 -2,-0.1 0.218 141.1 24.0 106.7 -9.6 5.1 -12.1 -5.0 22 39 A Y S S- 0 0 130 -4,-0.0 -2,-2.3 0, 0.0 2,-0.2 -0.926 103.2 -78.4-174.2 154.0 6.5 -13.5 -1.7 23 40 A H E +J 19 0C 38 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.515 51.7 157.8 -63.6 136.2 5.3 -15.8 1.1 24 41 A F E + 0 0 27 -6,-2.5 2,-0.3 1,-0.4 151,-0.2 0.514 58.0 5.2-134.2 -14.9 3.0 -13.8 3.5 25 42 A b E -J 18 0C 9 -7,-0.9 -7,-3.1 151,-0.1 -1,-0.4 -0.975 62.0-120.6-161.7 156.5 0.8 -16.4 5.3 26 43 A G E +J 17 0C 0 151,-2.8 12,-0.4 -2,-0.3 2,-0.3 -0.422 26.9 177.9 -86.8 177.3 0.2 -20.1 5.8 27 44 A G E -J 16 0C 0 -11,-1.3 -11,-2.4 -2,-0.2 2,-0.4 -0.955 24.5-118.9-166.7 177.0 -2.9 -22.1 5.2 28 45 A S E -JL 15 36C 0 8,-2.5 8,-2.8 -2,-0.3 2,-0.5 -0.989 20.4-130.8-133.4 127.0 -4.2 -25.7 5.3 29 46 A L E + L 0 35C 1 -15,-2.4 74,-2.7 -2,-0.4 6,-0.2 -0.675 27.4 173.6 -76.9 125.7 -5.5 -27.7 2.3 30 47 A I E - 0 0 20 4,-2.7 2,-0.3 -2,-0.5 5,-0.2 0.570 66.7 -7.4-113.4 -12.8 -8.8 -29.3 3.3 31 48 A N E > S- L 0 34C 51 3,-1.3 3,-0.7 70,-0.1 -1,-0.3 -0.934 89.3 -79.6-162.3-177.3 -9.8 -30.8 -0.1 32 49 A S T 3 S+ 0 0 43 -2,-0.3 62,-2.9 1,-0.2 60,-0.1 0.703 128.3 30.9 -66.4 -16.6 -8.5 -30.7 -3.6 33 50 A Q T 3 S+ 0 0 75 60,-0.2 57,-3.1 1,-0.1 2,-0.4 0.538 110.4 67.6-113.1 -12.4 -10.1 -27.2 -4.3 34 51 A W E < -LM 31 89C 1 -3,-0.7 -4,-2.7 55,-0.2 -3,-1.3 -0.958 48.7-167.6-132.4 140.0 -10.1 -25.4 -0.9 35 52 A V E -LM 29 88C 0 53,-2.8 53,-2.7 -2,-0.4 2,-0.4 -0.949 15.0-143.5-120.9 137.4 -7.7 -23.9 1.6 36 53 A V E +LM 28 87C 0 -8,-2.8 -8,-2.5 -2,-0.4 2,-0.2 -0.860 36.6 148.6 -87.5 129.7 -8.4 -22.7 5.3 37 54 A S E - M 0 86C 0 49,-2.6 49,-2.2 -2,-0.4 2,-0.3 -0.811 49.7 -74.2-143.9-169.4 -6.4 -19.6 6.5 38 55 A A > - 0 0 0 -12,-0.4 3,-1.8 47,-0.3 47,-0.3 -0.753 30.7-132.5 -88.0 141.6 -6.8 -16.6 8.7 39 56 A A G > S+ 0 0 3 -2,-0.3 3,-2.3 1,-0.3 -1,-0.1 0.824 107.4 65.2 -59.3 -33.5 -9.1 -13.8 7.7 40 57 A H G 3 S+ 0 0 69 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.643 93.8 62.4 -69.7 -8.3 -6.3 -11.3 8.6 41 58 A b G < S+ 0 0 4 -3,-1.8 -1,-0.3 -15,-0.1 -2,-0.2 0.433 78.4 129.9 -88.5 3.9 -4.4 -12.9 5.8 42 59 A Y < + 0 0 125 -3,-2.3 2,-0.3 -4,-0.1 -3,-0.0 -0.240 20.6 130.4 -59.9 138.8 -7.0 -11.7 3.2 43 60 A K - 0 0 60 3,-0.0 3,-0.3 -2,-0.0 2,-0.1 -0.955 52.8-101.9-165.3 171.7 -5.8 -9.9 0.1 44 61 A S S S+ 0 0 95 -2,-0.3 25,-0.0 1,-0.2 0, 0.0 -0.488 94.6 44.9 -87.4 164.0 -6.4 -10.2 -3.6 45 62 A G S S+ 0 0 69 1,-0.2 2,-0.4 22,-0.1 -1,-0.2 0.851 73.9 169.3 75.3 35.6 -3.9 -11.8 -6.1 46 63 A I - 0 0 8 -3,-0.3 21,-2.6 -26,-0.1 2,-0.5 -0.689 20.9-165.0 -83.9 134.1 -3.1 -14.9 -4.0 47 64 A Q E -KN 19 66C 49 -28,-2.8 -28,-2.7 -2,-0.4 2,-0.5 -0.975 16.4-141.6-108.3 125.5 -1.2 -17.8 -5.5 48 65 A V E -KN 18 65C 0 17,-2.8 17,-2.7 -2,-0.5 2,-0.6 -0.742 11.7-157.9 -85.3 127.4 -1.5 -20.9 -3.3 49 66 A R E -KN 17 64C 51 -32,-2.8 -32,-2.3 -2,-0.5 3,-0.3 -0.935 13.7-178.6-116.0 109.1 1.8 -22.9 -3.2 50 67 A L E + N 0 63C 1 13,-3.0 13,-1.9 -2,-0.6 -34,-0.1 -0.658 61.7 32.8 -94.7 158.5 1.4 -26.6 -2.3 51 69 A G S S+ 0 0 6 -36,-0.5 10,-0.3 -38,-0.3 2,-0.3 0.772 84.4 155.5 72.8 18.0 4.1 -29.2 -1.8 52 70 A E + 0 0 9 -37,-0.4 -42,-0.3 -3,-0.3 -1,-0.2 -0.603 20.9 149.8 -82.2 142.1 6.7 -26.6 -0.5 53 71 A D S S+ 0 0 15 1,-0.4 2,-0.8 4,-0.3 -1,-0.2 0.392 81.1 29.4-120.6 -77.6 9.6 -27.2 1.7 54 72 A N S > S- 0 0 16 80,-0.2 3,-1.2 1,-0.2 -1,-0.4 -0.658 74.0-160.4 -80.4 110.0 12.2 -24.5 0.8 55 73 A I T 3 S+ 0 0 29 78,-2.5 -1,-0.2 -2,-0.8 79,-0.1 0.613 86.6 53.2 -74.9 -5.2 10.0 -21.6 -0.3 56 74 A N T 3 S+ 0 0 139 77,-0.1 2,-0.4 1,-0.1 -1,-0.2 0.440 105.3 56.8-105.1 3.7 12.9 -20.0 -2.2 57 75 A V S < S- 0 0 76 -3,-1.2 2,-0.8 76,-0.1 -4,-0.3 -0.997 78.5-127.0-135.9 134.6 14.0 -23.0 -4.3 58 76 A V + 0 0 119 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.0 -0.691 34.3 171.9 -78.7 114.3 12.0 -25.1 -6.7 59 77 A E - 0 0 98 -2,-0.8 -1,-0.2 -5,-0.2 -7,-0.0 0.619 50.6 -98.8-107.2 -14.8 12.7 -28.6 -5.4 60 78 A G S S+ 0 0 61 -9,-0.0 -2,-0.1 0, 0.0 -8,-0.1 0.302 103.8 74.3 121.1 -5.0 10.3 -30.7 -7.5 61 79 A N + 0 0 66 -10,-0.3 2,-0.1 38,-0.0 -9,-0.1 0.342 67.4 118.8-116.2 3.7 7.1 -31.4 -5.5 62 80 A E - 0 0 33 -13,-0.0 2,-0.4 2,-0.0 -11,-0.3 -0.367 40.9-167.9 -69.8 151.8 5.4 -28.0 -5.7 63 81 A Q E -N 50 0C 37 -13,-1.9 -13,-3.0 -2,-0.1 2,-0.5 -0.994 7.9-162.6-129.5 128.3 2.0 -27.2 -7.3 64 82 A F E +N 49 0C 76 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.963 16.7 169.2-111.0 119.9 1.3 -23.4 -7.7 65 83 A I E -N 48 0C 15 -17,-2.7 -17,-2.8 -2,-0.5 2,-0.1 -0.992 29.2-128.3-137.7 129.5 -2.4 -22.6 -8.3 66 84 A S E -N 47 0C 51 -2,-0.4 25,-2.9 -19,-0.3 26,-0.3 -0.407 29.5-109.1 -73.5 149.6 -4.0 -19.2 -8.3 67 85 A A E -O 90 0C 19 -21,-2.6 23,-0.3 23,-0.2 -22,-0.1 -0.550 23.2-168.8 -73.4 136.9 -7.0 -18.5 -6.1 68 86 A S E S+ 0 0 64 21,-2.8 2,-0.3 1,-0.4 22,-0.2 0.711 73.1 5.9 -92.3 -22.7 -10.3 -18.0 -7.9 69 87 A K E -O 89 0C 92 20,-1.1 20,-2.9 2,-0.0 2,-0.4 -0.979 57.1-154.9-161.6 140.3 -12.3 -16.7 -4.8 70 88 A S E -O 88 0C 38 -2,-0.3 2,-0.4 18,-0.2 18,-0.2 -0.941 9.8-166.0-116.2 139.2 -11.6 -15.7 -1.2 71 89 A I E -O 87 0C 35 16,-2.8 16,-2.4 -2,-0.4 2,-0.3 -0.917 4.8-160.5-129.1 108.6 -14.4 -15.9 1.4 72 90 A V E -O 86 0C 52 -2,-0.4 14,-0.2 14,-0.2 12,-0.1 -0.650 40.2 -89.4 -79.5 140.8 -13.8 -14.1 4.8 73 91 A H > - 0 0 23 12,-2.3 3,-2.0 -2,-0.3 -1,-0.1 -0.212 34.0-122.3 -51.0 142.5 -16.0 -15.2 7.6 74 92 A P T 3 S+ 0 0 101 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.759 110.1 40.0 -57.1 -28.8 -19.3 -13.2 7.8 75 93 A S T 3 S+ 0 0 71 8,-0.1 2,-0.1 2,-0.1 -2,-0.1 0.228 78.8 141.1-110.7 14.6 -18.5 -12.1 11.4 76 94 A Y < - 0 0 53 -3,-2.0 2,-0.5 9,-0.1 7,-0.2 -0.387 31.6-165.3 -59.1 131.7 -14.8 -11.4 11.2 77 95 A N > - 0 0 68 5,-2.2 4,-2.1 -2,-0.1 5,-0.5 -0.964 8.6-161.7-120.0 117.2 -13.8 -8.3 13.2 78 96 A S T 4 S+ 0 0 78 -2,-0.5 -1,-0.1 1,-0.2 -2,-0.0 0.694 87.9 55.4 -76.8 -13.6 -10.3 -7.1 12.3 79 97 A N T 4 S+ 0 0 151 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.928 123.7 23.0 -80.6 -45.6 -10.0 -5.1 15.6 80 98 A T T 4 S- 0 0 77 2,-0.1 -2,-0.2 -3,-0.0 -1,-0.1 0.596 97.4-132.6 -93.8 -16.5 -10.7 -8.0 18.1 81 99 A L >< + 0 0 34 -4,-2.1 3,-0.8 1,-0.2 2,-0.2 0.595 48.2 160.7 60.4 18.7 -9.7 -10.8 15.6 82 100 A N T 3 + 0 0 40 -5,-0.5 -5,-2.2 1,-0.2 -1,-0.2 -0.494 66.5 14.6 -64.1 134.7 -12.9 -12.6 16.5 83 101 A N T 3 S+ 0 0 17 -7,-0.2 2,-2.1 1,-0.2 -10,-0.2 0.907 79.4 179.7 65.4 47.2 -13.8 -15.2 13.8 84 102 A D < + 0 0 1 -3,-0.8 2,-0.3 75,-0.2 123,-0.2 -0.493 37.0 110.4 -84.1 78.1 -10.3 -15.0 12.2 85 103 A I + 0 0 0 -2,-2.1 -12,-2.3 -47,-0.3 2,-0.3 -0.997 36.3 173.2-150.1 141.5 -10.9 -17.5 9.4 86 104 A M E -MO 37 72C 0 -49,-2.2 -49,-2.6 -2,-0.3 2,-0.4 -0.960 21.4-135.8-145.2 161.2 -11.3 -17.4 5.7 87 105 A L E -MO 36 71C 0 -16,-2.4 -16,-2.8 -2,-0.3 2,-0.4 -0.943 13.1-162.3-114.1 143.7 -11.6 -19.9 2.8 88 106 A I E -MO 35 70C 0 -53,-2.7 -53,-2.8 -2,-0.4 2,-0.4 -0.994 7.6-150.1-129.2 124.0 -9.8 -19.7 -0.5 89 107 A K E -MO 34 69C 39 -20,-2.9 -21,-2.8 -2,-0.4 -20,-1.1 -0.829 16.1-130.8 -94.8 138.8 -10.8 -21.7 -3.6 90 108 A L E - 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