==== 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 4ABE . 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) . 9252.0 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 . 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 . 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 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 0.000 360.0 360.0 360.0 123.6 -8.0 20.6 14.6 2 17 A V B +A 171 0A 10 169,-3.1 169,-2.0 1,-0.2 123,-0.1 -0.878 360.0 6.5 -98.9 132.6 -10.3 19.8 17.5 3 18 A G S S+ 0 0 46 121,-0.5 -1,-0.2 -2,-0.5 169,-0.1 0.730 102.3 120.9 77.1 16.2 -12.0 22.7 19.4 4 19 A G - 0 0 36 -3,-0.3 2,-0.3 167,-0.1 134,-0.2 0.014 56.5-111.5 -95.7-158.0 -10.8 25.4 16.9 5 20 A Y E -B 137 0B 97 132,-2.3 132,-2.7 -3,-0.1 2,-0.5 -0.936 34.6 -89.2-139.2 153.5 -12.5 27.9 14.6 6 21 A T E -B 136 0B 73 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.584 37.4-150.9 -65.3 120.3 -13.0 28.5 10.9 7 22 A a - 0 0 18 128,-2.1 -1,-0.2 -2,-0.5 129,-0.1 0.902 34.9-112.9 -61.1 -41.6 -9.9 30.6 9.9 8 23 A G > - 0 0 25 127,-0.5 3,-1.9 -3,-0.1 4,-0.3 -0.021 47.7 -56.0 106.9 142.4 -11.5 32.4 7.0 9 24 A A T 3 S- 0 0 55 1,-0.3 44,-0.1 2,-0.1 43,-0.0 -0.234 117.5 -12.4 -62.0 126.5 -10.5 32.0 3.4 10 25 A N T 3 S+ 0 0 25 42,-0.3 -1,-0.3 2,-0.1 43,-0.1 0.651 91.6 125.5 62.3 22.4 -6.8 32.6 2.7 11 26 A T S < S+ 0 0 85 -3,-1.9 -2,-0.1 1,-0.2 -1,-0.1 0.497 74.6 51.1 -84.1 -6.2 -6.2 34.2 6.1 12 27 A V S > S+ 0 0 8 -4,-0.3 3,-2.1 87,-0.1 -1,-0.2 -0.751 74.6 174.7-125.3 72.7 -3.3 31.7 6.7 13 28 A P T 3 S+ 0 0 30 0, 0.0 88,-1.6 0, 0.0 38,-0.3 0.641 71.9 55.4 -73.3 -12.4 -1.5 32.3 3.4 14 29 A Y T 3 S+ 0 0 21 86,-0.2 15,-2.3 88,-0.1 2,-0.4 0.476 83.0 107.4 -90.2 -9.1 1.5 30.1 4.1 15 30 A Q E < -J 28 0C 5 -3,-2.1 36,-0.4 13,-0.2 37,-0.4 -0.601 48.3-179.8 -71.9 125.1 -0.7 27.1 4.8 16 31 A V E -J 27 0C 0 11,-2.4 11,-1.3 -2,-0.4 2,-0.4 -0.891 22.6-135.0-121.1 161.1 -0.5 24.5 2.0 17 32 A S E -JK 26 49C 1 32,-2.3 32,-2.8 -2,-0.3 2,-0.5 -0.929 14.9-140.7-106.4 130.4 -2.2 21.1 1.6 18 33 A L E -JK 25 48C 0 7,-3.0 6,-2.5 -2,-0.4 7,-0.9 -0.859 24.7-167.3 -93.1 126.2 -0.1 18.1 0.4 19 34 A N E +JK 23 47C 20 28,-2.7 28,-2.7 -2,-0.5 4,-0.2 -0.956 30.9 166.8-123.6 129.8 -2.2 16.1 -2.1 20 37 A S S S- 0 0 31 2,-2.4 3,-0.1 -2,-0.4 26,-0.1 -0.305 98.1 -45.1-128.1 43.4 -1.5 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 0.230 140.8 24.8 104.9 -9.7 -5.1 12.2 -5.0 22 39 A Y S S- 0 0 131 -4,-0.0 -2,-2.4 0, 0.0 2,-0.3 -0.922 103.4 -78.1-174.8 153.6 -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 -0.535 51.5 158.3 -63.2 134.5 -5.3 15.8 1.1 24 41 A F E + 0 0 29 -6,-2.5 2,-0.3 1,-0.5 151,-0.2 0.534 57.8 3.4-133.2 -15.4 -3.0 13.9 3.5 25 42 A b E -J 18 0C 7 -7,-0.9 -7,-3.0 151,-0.1 -1,-0.5 -0.971 62.4-118.3-163.2 158.3 -0.9 16.5 5.4 26 43 A G E +J 17 0C 0 151,-2.8 12,-0.4 -2,-0.3 2,-0.3 -0.398 27.8 178.6 -88.4 176.1 -0.3 20.2 5.9 27 44 A G E -J 16 0C 0 -11,-1.3 -11,-2.4 -2,-0.2 2,-0.4 -0.955 23.7-119.8-165.1 177.1 2.9 22.1 5.2 28 45 A S E -JL 15 36C 0 8,-2.4 8,-2.9 -2,-0.3 2,-0.5 -0.990 19.8-129.8-134.2 127.6 4.2 25.7 5.3 29 46 A L E + L 0 35C 1 -15,-2.3 74,-2.7 -2,-0.4 6,-0.2 -0.630 27.8 173.2 -78.7 127.2 5.5 27.8 2.4 30 47 A I E - 0 0 19 4,-2.8 2,-0.3 -2,-0.5 5,-0.2 0.640 66.7 -9.9-116.4 -10.9 8.9 29.3 3.3 31 48 A N E > S- L 0 34C 53 3,-1.4 3,-0.7 70,-0.1 -1,-0.4 -0.923 88.8 -78.7-163.6-176.3 9.9 30.8 -0.1 32 49 A S T 3 S+ 0 0 42 -2,-0.3 62,-3.0 1,-0.2 60,-0.1 0.697 128.2 32.7 -65.4 -16.9 8.6 30.7 -3.6 33 50 A Q T 3 S+ 0 0 73 60,-0.2 57,-3.2 1,-0.1 2,-0.4 0.531 110.0 65.6-112.4 -9.7 10.2 27.3 -4.2 34 51 A W E < -LM 31 89C 1 -3,-0.7 -4,-2.8 55,-0.2 -3,-1.4 -0.947 48.6-166.1-137.7 138.8 10.1 25.4 -0.9 35 52 A V E -LM 29 88C 0 53,-2.6 53,-2.8 -2,-0.4 2,-0.4 -0.963 14.9-143.9-118.5 140.0 7.7 24.0 1.7 36 53 A V E +LM 28 87C 0 -8,-2.9 -8,-2.4 -2,-0.4 2,-0.2 -0.865 37.2 147.2 -92.0 126.2 8.4 22.8 5.3 37 54 A S E - M 0 86C 0 49,-2.5 49,-2.2 -2,-0.4 2,-0.3 -0.789 49.8 -72.6-143.6-168.1 6.5 19.7 6.5 38 55 A A > - 0 0 0 -12,-0.4 3,-1.7 47,-0.3 47,-0.3 -0.748 30.3-134.1 -88.2 138.7 6.8 16.6 8.7 39 56 A A G > S+ 0 0 2 -2,-0.3 3,-2.2 1,-0.3 -1,-0.1 0.820 106.5 65.1 -57.2 -31.9 9.1 13.8 7.7 40 57 A H G 3 S+ 0 0 67 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.643 93.9 62.4 -70.4 -8.1 6.3 11.3 8.7 41 58 A b G < S+ 0 0 4 -3,-1.7 -1,-0.3 -15,-0.1 -2,-0.2 0.416 77.9 132.5 -89.5 4.1 4.3 12.9 5.8 42 59 A Y < + 0 0 131 -3,-2.2 2,-0.3 -4,-0.1 -3,-0.0 -0.243 19.7 136.9 -60.1 135.3 6.9 11.7 3.2 43 60 A K - 0 0 57 3,-0.0 3,-0.3 0, 0.0 2,-0.1 -0.941 50.1-105.5-159.4 164.7 5.7 10.0 0.0 44 61 A S S S+ 0 0 96 -2,-0.3 25,-0.0 1,-0.2 0, 0.0 -0.460 95.1 39.4 -82.9 161.6 6.4 10.2 -3.7 45 62 A G S S+ 0 0 68 1,-0.2 2,-0.4 22,-0.1 -1,-0.2 0.867 74.6 169.7 70.6 39.4 4.1 12.0 -6.1 46 63 A I - 0 0 7 -3,-0.3 21,-2.8 -26,-0.1 2,-0.5 -0.703 21.3-161.7 -82.5 134.8 3.1 14.9 -3.9 47 64 A Q E -KN 19 66C 49 -28,-2.7 -28,-2.7 -2,-0.4 2,-0.5 -0.972 16.0-141.5-107.0 126.2 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 -0.764 11.3-156.6 -87.3 127.4 1.5 21.0 -3.3 49 66 A R E -KN 17 64C 51 -32,-2.8 -32,-2.3 -2,-0.5 3,-0.3 -0.949 13.4-176.9-113.4 107.7 -1.7 23.0 -3.2 50 67 A L E + N 0 63C 1 13,-3.1 13,-1.9 -2,-0.6 -34,-0.1 -0.658 62.0 31.2 -91.1 156.9 -1.3 26.7 -2.3 51 69 A G S S+ 0 0 6 -36,-0.4 10,-0.3 -38,-0.3 2,-0.3 0.786 84.1 157.5 72.9 18.5 -4.1 29.3 -1.8 52 70 A E + 0 0 9 -37,-0.4 -42,-0.3 -3,-0.3 -1,-0.2 -0.628 21.4 148.6 -80.5 141.0 -6.6 26.7 -0.4 53 71 A D S S+ 0 0 16 1,-0.4 2,-0.8 -2,-0.3 -1,-0.2 0.411 81.6 29.4-120.6 -76.5 -9.6 27.2 1.7 54 72 A N S > S- 0 0 29 80,-0.2 3,-1.2 1,-0.2 -1,-0.4 -0.654 73.5-161.4 -82.6 109.7 -12.2 24.6 0.8 55 73 A I T 3 S+ 0 0 28 78,-2.5 -1,-0.2 -2,-0.8 79,-0.1 0.587 86.7 53.3 -74.0 -5.8 -9.9 21.7 -0.3 56 74 A N T 3 S+ 0 0 126 77,-0.1 2,-0.4 1,-0.1 -1,-0.2 0.479 105.5 56.0 -99.7 -4.3 -12.9 20.1 -2.1 57 75 A V S < S- 0 0 77 -3,-1.2 2,-0.7 76,-0.1 -4,-0.3 -0.995 78.6-127.5-133.0 135.5 -14.0 23.1 -4.3 58 76 A V + 0 0 116 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.0 -0.697 34.2 171.9 -81.0 114.3 -12.0 25.2 -6.7 59 77 A E - 0 0 99 -2,-0.7 -1,-0.2 -5,-0.2 -7,-0.0 0.632 50.7 -98.8-110.1 -10.7 -12.6 28.7 -5.4 60 78 A G S S+ 0 0 60 -9,-0.0 -2,-0.1 0, 0.0 -8,-0.1 0.315 103.5 74.8 117.1 -2.0 -10.2 30.8 -7.5 61 79 A N + 0 0 67 -10,-0.3 -9,-0.1 38,-0.0 2,-0.1 0.354 67.4 118.9-118.2 6.6 -7.0 31.5 -5.5 62 80 A E - 0 0 33 -13,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.318 41.4-166.9 -73.8 152.0 -5.4 28.1 -5.7 63 81 A Q E -N 50 0C 37 -13,-1.9 -13,-3.1 -2,-0.1 2,-0.5 -0.988 7.5-162.2-128.6 127.1 -2.0 27.2 -7.2 64 82 A F E +N 49 0C 77 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.954 17.0 169.2-109.9 118.2 -1.3 23.5 -7.8 65 83 A I E -N 48 0C 15 -17,-2.7 -17,-2.8 -2,-0.5 2,-0.1 -0.989 29.0-129.3-136.0 126.9 2.4 22.7 -8.3 66 84 A S E -N 47 0C 51 -2,-0.4 25,-3.0 -19,-0.3 26,-0.3 -0.413 29.9-109.2 -74.8 146.9 4.0 19.2 -8.2 67 85 A A E -O 90 0C 19 -21,-2.8 23,-0.3 23,-0.2 -22,-0.1 -0.554 23.7-168.9 -69.3 138.3 7.0 18.5 -6.0 68 86 A S E S+ 0 0 66 21,-2.8 2,-0.3 1,-0.3 22,-0.2 0.707 73.3 8.8 -93.3 -29.3 10.3 18.0 -7.9 69 87 A K E -O 89 0C 89 20,-1.2 20,-2.6 2,-0.0 2,-0.4 -0.982 56.2-157.1-151.3 138.0 12.3 16.8 -4.8 70 88 A S E -O 88 0C 42 -2,-0.3 2,-0.4 18,-0.2 18,-0.2 -0.953 10.1-167.3-111.7 142.1 11.6 15.7 -1.2 71 89 A I E -O 87 0C 35 16,-2.8 16,-2.5 -2,-0.4 2,-0.3 -0.906 5.4-160.1-128.0 111.6 14.4 15.9 1.5 72 90 A V E -O 86 0C 52 -2,-0.4 14,-0.2 14,-0.2 12,-0.1 -0.608 40.0 -90.3 -80.7 141.8 13.8 14.1 4.8 73 91 A H > - 0 0 23 12,-2.2 3,-1.9 -2,-0.3 -1,-0.1 -0.240 33.9-123.8 -53.5 142.1 16.0 15.3 7.6 74 92 A P T 3 S+ 0 0 102 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.825 108.5 42.6 -63.2 -25.1 19.1 13.2 7.8 75 93 A S T 3 S+ 0 0 75 2,-0.1 2,-0.1 8,-0.0 -2,-0.1 0.148 78.2 140.2-103.6 12.4 18.5 12.1 11.4 76 94 A Y < - 0 0 52 -3,-1.9 2,-0.5 9,-0.1 7,-0.2 -0.381 33.3-165.0 -60.3 130.1 14.8 11.5 11.2 77 95 A N > - 0 0 67 5,-2.2 4,-2.2 -2,-0.1 5,-0.4 -0.961 8.3-161.2-116.7 115.6 13.8 8.3 13.2 78 96 A S T 4 S+ 0 0 79 -2,-0.5 -1,-0.1 1,-0.2 -2,-0.0 0.707 87.9 56.2 -73.3 -15.7 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 0.907 123.2 21.9 -79.2 -45.3 10.0 5.1 15.5 80 98 A T T 4 S- 0 0 75 2,-0.1 -2,-0.2 -3,-0.1 -1,-0.1 0.580 96.8-131.5 -96.3 -13.6 10.6 7.9 18.0 81 99 A L >< + 0 0 34 -4,-2.2 3,-0.8 1,-0.3 2,-0.2 0.613 48.6 160.2 63.2 17.0 9.7 10.8 15.6 82 100 A N T 3 + 0 0 39 -5,-0.4 -5,-2.2 1,-0.2 -1,-0.3 -0.502 67.0 15.0 -66.3 135.9 12.8 12.6 16.5 83 101 A N T 3 S- 0 0 17 -7,-0.2 2,-2.1 1,-0.2 -10,-0.3 0.907 79.3-179.8 65.0 48.5 13.7 15.2 13.8 84 102 A D < + 0 0 1 -3,-0.8 2,-0.3 75,-0.2 123,-0.2 -0.466 37.5 111.6 -82.9 78.9 10.2 15.0 12.2 85 103 A I + 0 0 0 -2,-2.1 -12,-2.2 -47,-0.3 2,-0.3 -0.998 35.9 171.6-151.5 135.9 10.9 17.6 9.5 86 104 A M E -MO 37 72C 0 -49,-2.2 -49,-2.5 -2,-0.3 2,-0.4 -0.963 22.3-135.7-138.5 165.0 11.3 17.5 5.7 87 105 A L E -MO 36 71C 0 -16,-2.5 -16,-2.8 -2,-0.3 2,-0.5 -0.941 12.8-161.3-116.6 143.7 11.6 20.0 2.9 88 106 A I E -MO 35 70C 0 -53,-2.8 -53,-2.6 -2,-0.4 2,-0.4 -0.989 7.5-150.9-127.9 122.9 9.7 19.8 -0.4 89 107 A K E -MO 34 69C 37 -20,-2.6 -21,-2.8 -2,-0.5 -20,-1.2 -0.837 16.8-130.0 -94.7 135.8 10.9 21.7 -3.6 90 108 A L E - 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