==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 16-NOV-11 3UNR . COMPND 2 MOLECULE: CATIONIC TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR S.J.FISHER,J.R.HELLIWELL,M.P.BLAKELEY,M.CIANCI,S.MCSWEENY . 223 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9251.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 137 61.4 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 . 16 7.2 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 0.000 360.0 360.0 360.0 125.4 -8.0 -20.5 -14.5 2 17 A V B +A 171 0A 12 169,-3.0 169,-2.0 1,-0.2 123,-0.1 -0.875 360.0 7.2-103.2 130.9 -10.3 -19.7 -17.4 3 18 A G S S+ 0 0 46 121,-0.5 -1,-0.2 -2,-0.5 169,-0.1 0.695 102.1 119.1 76.4 20.5 -11.9 -22.6 -19.3 4 19 A G - 0 0 35 -3,-0.3 2,-0.3 167,-0.1 134,-0.2 0.016 57.1-112.0 -98.3-156.7 -10.8 -25.3 -16.8 5 20 A Y E -B 137 0B 99 132,-2.4 132,-2.7 -3,-0.1 2,-0.5 -0.932 35.3 -87.9-140.3 157.1 -12.5 -27.8 -14.6 6 21 A T E -B 136 0B 72 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.595 36.3-151.0 -69.0 122.8 -12.9 -28.3 -10.8 7 22 A a - 0 0 17 128,-2.0 -1,-0.2 -2,-0.5 129,-0.1 0.900 34.4-115.0 -62.8 -45.7 -9.9 -30.4 -9.8 8 23 A G > - 0 0 25 127,-0.5 3,-1.8 -3,-0.1 4,-0.3 -0.028 47.0 -56.4 107.0 141.3 -11.5 -32.2 -6.9 9 24 A A T 3 S- 0 0 53 1,-0.3 44,-0.1 2,-0.1 43,-0.0 -0.248 117.9 -10.5 -59.1 125.6 -10.5 -31.8 -3.3 10 25 A N T 3 S+ 0 0 27 42,-0.4 -1,-0.3 2,-0.1 43,-0.1 0.686 91.5 125.9 62.4 23.7 -6.8 -32.5 -2.6 11 26 A T S < S+ 0 0 83 -3,-1.8 -2,-0.1 1,-0.2 -1,-0.1 0.540 74.6 49.5 -83.4 -8.2 -6.3 -34.0 -6.0 12 27 A V S > S+ 0 0 7 -4,-0.3 3,-1.9 87,-0.1 -1,-0.2 -0.756 74.8 175.8-127.3 76.7 -3.3 -31.6 -6.6 13 28 A P T 3 S+ 0 0 30 0, 0.0 88,-1.5 0, 0.0 38,-0.3 0.616 72.0 54.9 -74.9 -12.8 -1.5 -32.2 -3.3 14 29 A Y T 3 S+ 0 0 19 86,-0.2 15,-2.4 88,-0.1 2,-0.4 0.433 82.4 109.4 -90.6 -8.7 1.5 -30.0 -4.0 15 30 A Q E < -J 28 0C 5 -3,-1.9 36,-0.4 13,-0.2 37,-0.4 -0.613 47.8-175.8 -74.3 127.8 -0.6 -26.9 -4.7 16 31 A V E -J 27 0C 1 11,-2.5 11,-1.2 -2,-0.4 2,-0.5 -0.828 21.0-137.2-119.8 158.4 -0.4 -24.2 -2.0 17 32 A S E -JK 26 49C 1 32,-2.2 32,-2.8 -2,-0.3 2,-0.5 -0.965 15.6-141.7-107.1 130.2 -2.2 -20.9 -1.5 18 33 A L E -JK 25 48C 0 7,-3.1 6,-2.5 -2,-0.5 7,-0.9 -0.852 25.8-168.3 -91.9 126.0 -0.1 -18.0 -0.4 19 34 A N E +JK 23 47C 18 28,-2.7 28,-2.6 -2,-0.5 4,-0.2 -0.958 31.6 167.5-125.8 131.8 -2.1 -15.9 2.1 20 37 A S S S- 0 0 33 2,-2.3 3,-0.1 -2,-0.4 26,-0.1 -0.303 97.7 -46.6-128.9 46.2 -1.5 -12.5 3.6 21 38 A G S S+ 0 0 69 26,-0.1 2,-0.3 1,-0.0 -2,-0.1 0.219 140.7 29.4 103.6 -10.9 -5.0 -12.1 5.1 22 39 A Y S S- 0 0 131 -4,-0.0 -2,-2.3 0, 0.0 2,-0.3 -0.928 102.1 -81.9-169.4 153.3 -6.4 -13.3 1.7 23 40 A H E +J 19 0C 31 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.532 51.0 158.3 -64.8 132.8 -5.2 -15.6 -1.1 24 41 A F E + 0 0 33 -6,-2.5 2,-0.3 1,-0.4 151,-0.2 0.517 57.6 1.9-131.9 -14.6 -2.9 -13.7 -3.4 25 42 A b E -J 18 0C 8 -7,-0.9 -7,-3.1 151,-0.1 -1,-0.4 -0.976 62.1-118.3-165.1 157.6 -0.8 -16.3 -5.3 26 43 A G E +J 17 0C 1 151,-2.8 12,-0.4 -2,-0.3 2,-0.3 -0.427 27.6 177.8 -89.5 177.7 -0.2 -20.0 -5.8 27 44 A G E -J 16 0C 0 -11,-1.2 -11,-2.5 -2,-0.2 2,-0.4 -0.954 24.2-117.8-168.1 174.3 2.9 -22.0 -5.1 28 45 A S E -JL 15 36C 0 8,-2.4 8,-2.7 -2,-0.3 2,-0.5 -0.991 19.6-131.4-130.2 127.9 4.2 -25.6 -5.3 29 46 A L E + L 0 35C 0 -15,-2.4 74,-2.5 -2,-0.4 6,-0.2 -0.669 27.3 173.1 -77.2 121.7 5.5 -27.6 -2.3 30 47 A I E - 0 0 20 4,-2.5 2,-0.3 -2,-0.5 75,-0.2 0.572 67.3 -6.9-111.7 -11.1 8.8 -29.2 -3.3 31 48 A N E > S- L 0 34C 49 3,-1.2 3,-0.7 70,-0.1 -1,-0.3 -0.925 89.8 -79.8-160.9-174.9 9.8 -30.7 0.0 32 49 A S T 3 S+ 0 0 41 -2,-0.3 62,-3.1 1,-0.2 60,-0.1 0.698 127.9 30.7 -66.6 -16.7 8.5 -30.6 3.6 33 50 A Q T 3 S+ 0 0 77 60,-0.2 57,-2.8 1,-0.1 2,-0.4 0.406 110.1 67.1-116.6 -10.5 10.0 -27.1 4.2 34 51 A W E < -LM 31 89C 1 -3,-0.7 -4,-2.5 55,-0.2 -3,-1.2 -0.975 48.1-169.1-136.2 138.5 10.1 -25.3 0.9 35 52 A V E -LM 29 88C 0 53,-2.7 53,-2.6 -2,-0.4 2,-0.4 -0.950 14.3-145.5-120.2 140.0 7.7 -23.8 -1.7 36 53 A V E +LM 28 87C 0 -8,-2.7 -8,-2.4 -2,-0.4 2,-0.2 -0.907 34.1 149.0-100.0 132.8 8.5 -22.5 -5.2 37 54 A S E - M 0 86C 0 49,-2.5 49,-2.2 -2,-0.4 2,-0.4 -0.719 49.8 -70.4-144.1-171.1 6.4 -19.6 -6.4 38 55 A A > - 0 0 0 -12,-0.4 3,-1.8 47,-0.3 47,-0.3 -0.759 32.1-133.2 -88.5 141.4 6.8 -16.6 -8.8 39 56 A A G > S+ 0 0 2 -2,-0.4 3,-2.1 1,-0.3 -1,-0.1 0.828 106.9 65.2 -59.0 -32.4 9.1 -13.7 -7.7 40 57 A H G 3 S+ 0 0 69 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.636 93.5 62.5 -71.4 -8.3 6.4 -11.3 -8.7 41 58 A b G < S+ 0 0 4 -3,-1.8 -1,-0.3 -15,-0.1 -2,-0.2 0.416 78.3 131.5 -87.1 -0.9 4.4 -12.8 -5.8 42 59 A Y < + 0 0 130 -3,-2.1 2,-0.3 -4,-0.1 -3,-0.0 -0.230 20.1 134.1 -58.1 135.9 7.0 -11.6 -3.2 43 60 A K - 0 0 53 0, 0.0 3,-0.3 0, 0.0 2,-0.1 -0.940 51.8-101.2-162.0 167.5 5.8 -9.8 -0.2 44 61 A S S S+ 0 0 96 -2,-0.3 25,-0.0 1,-0.2 0, 0.0 -0.452 94.8 41.3 -83.6 163.0 6.4 -10.0 3.6 45 62 A G S S+ 0 0 68 1,-0.2 2,-0.4 -2,-0.1 -1,-0.2 0.846 73.4 171.3 73.3 37.2 4.1 -11.7 6.0 46 63 A I - 0 0 8 -3,-0.3 21,-2.7 -26,-0.1 2,-0.5 -0.634 19.9-165.1 -84.7 133.3 3.3 -14.8 4.0 47 64 A Q E -KN 19 66C 48 -28,-2.6 -28,-2.7 -2,-0.4 2,-0.5 -0.977 17.2-141.2-108.7 126.8 1.3 -17.7 5.5 48 65 A V E -KN 18 65C 0 17,-2.8 17,-2.6 -2,-0.5 2,-0.6 -0.763 11.8-157.9 -89.2 128.1 1.5 -20.8 3.3 49 66 A R E -KN 17 64C 50 -32,-2.8 -32,-2.2 -2,-0.5 3,-0.3 -0.941 14.0-179.0-114.3 111.0 -1.7 -22.8 3.2 50 67 A L E + N 0 63C 1 13,-3.0 13,-2.1 -2,-0.6 -34,-0.1 -0.668 60.7 32.7-102.4 159.3 -1.4 -26.5 2.3 51 69 A G S S+ 0 0 6 -36,-0.4 10,-0.3 -38,-0.3 2,-0.3 0.703 84.0 154.9 70.3 19.4 -4.1 -29.1 1.9 52 70 A E + 0 0 10 -37,-0.4 -42,-0.4 -3,-0.3 -1,-0.2 -0.590 21.8 150.4 -83.4 142.3 -6.6 -26.5 0.6 53 71 A D S S+ 0 0 16 1,-0.4 2,-0.7 -2,-0.3 -1,-0.1 0.382 81.7 29.9-119.3 -81.6 -9.6 -27.0 -1.6 54 72 A N S > S- 0 0 28 80,-0.2 3,-1.1 1,-0.2 -1,-0.4 -0.673 73.4-160.1 -75.5 114.0 -12.2 -24.4 -0.7 55 73 A I T 3 S+ 0 0 30 78,-2.4 -1,-0.2 -2,-0.7 79,-0.1 0.563 87.7 51.8 -75.8 -5.4 -9.9 -21.5 0.4 56 74 A N T 3 S+ 0 0 122 77,-0.1 2,-0.4 1,-0.1 -1,-0.2 0.404 105.9 56.9-108.6 2.5 -12.9 -19.8 2.3 57 75 A V S < S- 0 0 77 -3,-1.1 2,-0.7 76,-0.1 -4,-0.3 -0.999 78.3-127.4-135.6 133.3 -14.0 -22.9 4.3 58 76 A V + 0 0 118 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.0 -0.726 34.5 171.2 -79.0 114.4 -12.0 -25.0 6.8 59 77 A E - 0 0 100 -2,-0.7 -1,-0.2 -5,-0.2 -7,-0.0 0.539 51.7 -96.5-109.2 -12.2 -12.6 -28.5 5.4 60 78 A G S S+ 0 0 61 -9,-0.0 -8,-0.1 0, 0.0 -2,-0.1 0.299 104.6 74.1 120.3 -9.1 -10.2 -30.6 7.5 61 79 A N + 0 0 66 -10,-0.3 -9,-0.1 38,-0.0 2,-0.1 0.336 66.4 123.4-114.2 8.9 -7.0 -31.2 5.5 62 80 A E - 0 0 34 -13,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.332 37.9-170.4 -71.7 148.0 -5.4 -27.8 5.8 63 81 A Q E -N 50 0C 40 -13,-2.1 -13,-3.0 -2,-0.1 2,-0.6 -0.972 7.6-164.7-129.8 123.9 -2.0 -27.0 7.3 64 82 A F E +N 49 0C 76 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.942 16.2 169.4-109.1 118.4 -1.3 -23.2 7.8 65 83 A I E -N 48 0C 16 -17,-2.6 -17,-2.8 -2,-0.6 2,-0.1 -0.990 29.1-128.4-135.9 125.0 2.4 -22.5 8.3 66 84 A S E -N 47 0C 53 -2,-0.4 25,-2.8 -19,-0.3 26,-0.3 -0.394 28.7-111.4 -69.5 149.0 4.0 -19.1 8.3 67 85 A A E -O 90 0C 19 -21,-2.7 23,-0.3 23,-0.2 3,-0.1 -0.544 20.8-166.2 -76.3 140.0 7.0 -18.4 6.1 68 86 A S E S- 0 0 54 21,-2.6 2,-0.3 1,-0.3 22,-0.2 0.678 72.2 -2.3 -93.8 -26.1 10.3 -17.9 7.9 69 87 A K E -O 89 0C 77 20,-1.0 20,-2.6 2,-0.0 -1,-0.3 -0.980 56.1-151.2-163.1 152.4 12.2 -16.5 4.8 70 88 A S E -O 88 0C 41 -2,-0.3 2,-0.4 18,-0.2 18,-0.2 -0.979 7.2-163.4-127.9 145.2 11.7 -15.7 1.1 71 89 A I E -O 87 0C 38 16,-2.8 16,-2.5 -2,-0.3 2,-0.2 -0.931 6.2-159.1-134.2 104.1 14.4 -15.7 -1.5 72 90 A V E -O 86 0C 48 -2,-0.4 14,-0.2 14,-0.2 12,-0.1 -0.591 42.2 -87.3 -75.8 144.9 13.7 -14.0 -4.8 73 91 A H > - 0 0 24 12,-2.3 3,-1.8 10,-0.3 -1,-0.1 -0.231 35.6-123.2 -54.2 140.9 15.9 -15.2 -7.7 74 92 A P T 3 S+ 0 0 100 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.731 109.5 40.5 -61.1 -22.5 19.2 -13.1 -7.8 75 93 A S T 3 S+ 0 0 73 8,-0.1 2,-0.1 2,-0.0 -2,-0.1 0.155 79.0 143.2-113.9 17.0 18.5 -12.0 -11.4 76 94 A Y < - 0 0 57 -3,-1.8 2,-0.5 9,-0.1 7,-0.2 -0.388 31.5-164.0 -58.9 130.7 14.8 -11.4 -11.2 77 95 A N > - 0 0 66 5,-2.2 4,-2.2 -2,-0.1 5,-0.5 -0.963 7.9-163.6-118.4 110.6 13.8 -8.4 -13.4 78 96 A S T 4 S+ 0 0 77 -2,-0.5 -1,-0.1 1,-0.2 -2,-0.0 0.684 87.0 56.6 -70.3 -18.8 10.3 -7.1 -12.5 79 97 A N T 4 S+ 0 0 151 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.908 123.4 21.7 -75.8 -43.8 10.0 -5.1 -15.7 80 98 A T T 4 S- 0 0 73 2,-0.1 -2,-0.2 -3,-0.1 -1,-0.1 0.588 97.1-131.2 -97.6 -13.8 10.6 -8.0 -18.1 81 99 A L >< + 0 0 32 -4,-2.2 3,-0.9 1,-0.3 2,-0.2 0.581 49.3 159.5 61.9 18.7 9.6 -10.8 -15.6 82 100 A N T 3 + 0 0 36 -5,-0.5 -5,-2.2 1,-0.3 -1,-0.3 -0.488 66.9 15.4 -66.7 137.3 12.8 -12.6 -16.6 83 101 A N T 3 S+ 0 0 18 -7,-0.2 2,-2.0 -2,-0.2 -10,-0.3 0.904 79.2 179.5 62.5 48.4 13.7 -15.1 -13.8 84 102 A D < + 0 0 1 -3,-0.9 2,-0.3 75,-0.2 123,-0.2 -0.502 36.0 114.3 -82.2 75.1 10.2 -15.0 -12.3 85 103 A I + 0 0 0 -2,-2.0 -12,-2.3 -47,-0.3 2,-0.3 -0.994 36.5 177.1-149.4 143.4 10.9 -17.5 -9.5 86 104 A M E -MO 37 72C 0 -49,-2.2 -49,-2.5 -2,-0.3 2,-0.4 -0.982 19.6-139.5-145.1 148.6 11.1 -17.3 -5.7 87 105 A L E -MO 36 71C 0 -16,-2.5 -16,-2.8 -2,-0.3 2,-0.4 -0.908 14.4-164.8-109.5 141.7 11.7 -19.8 -2.8 88 106 A I E -MO 35 70C 0 -53,-2.6 -53,-2.7 -2,-0.4 2,-0.4 -0.995 7.7-150.5-127.2 124.9 9.7 -19.6 0.4 89 107 A K E -MO 34 69C 31 -20,-2.6 -21,-2.6 -2,-0.4 -20,-1.0 -0.814 14.0-132.2 -97.3 137.6 10.8 -21.5 3.5 90 108 A L E - 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