==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 16-MAR-99 1CE5 . COMPND 2 MOLECULE: PROTEIN (TRYPSIN); . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR N.OTA,C.STROUPE,J.M.S.FERREIRA-DA-SILVA,S.S.SHAH,M.MARES- . 223 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9338.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 134 60.1 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 . 68 30.5 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 . 17 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 8.5 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 . 2 2 1 6 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 3 0, 0.0 2,-0.5 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 125.2 21.0 28.1 25.3 2 17 A V B +A 171 0A 10 169,-3.2 169,-1.9 1,-0.2 123,-0.1 -0.894 360.0 4.8-105.6 130.4 20.8 24.4 24.3 3 18 A G S S+ 0 0 48 121,-0.5 -1,-0.2 -2,-0.5 2,-0.1 0.705 102.1 122.1 74.5 20.7 23.0 23.2 21.4 4 19 A G - 0 0 36 -3,-0.3 2,-0.3 167,-0.1 134,-0.2 -0.103 54.8-115.3 -98.8-160.3 24.8 26.5 21.0 5 20 A Y E -B 137 0B 99 132,-2.5 132,-3.3 -3,-0.1 2,-0.6 -0.914 35.1 -85.0-137.6 162.3 28.4 27.7 21.2 6 21 A T E -B 136 0B 73 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.576 36.5-151.3 -70.0 116.2 30.6 29.9 23.3 7 22 A a - 0 0 18 128,-1.8 -1,-0.2 -2,-0.6 129,-0.1 0.915 36.2-113.9 -53.7 -51.0 30.1 33.4 22.0 8 23 A G > - 0 0 25 127,-0.5 3,-1.8 -3,-0.1 4,-0.3 -0.009 46.7 -56.9 116.0 136.3 33.5 34.7 22.9 9 24 A A T 3 S- 0 0 59 1,-0.3 44,-0.1 2,-0.1 43,-0.0 -0.159 118.3 -10.6 -49.5 125.4 34.1 37.4 25.5 10 25 A N T 3 S+ 0 0 39 42,-0.3 -1,-0.3 2,-0.1 43,-0.1 0.679 91.1 125.6 57.9 26.7 32.3 40.7 24.7 11 26 A T S < S+ 0 0 83 -3,-1.8 -2,-0.1 1,-0.3 -1,-0.1 0.529 75.7 49.0 -88.1 -7.2 31.3 39.7 21.2 12 27 A V S > S+ 0 0 8 -4,-0.3 3,-1.8 87,-0.1 -1,-0.3 -0.673 73.5 174.5-130.7 71.5 27.6 40.4 22.0 13 28 A P T 3 S+ 0 0 30 0, 0.0 88,-1.2 0, 0.0 38,-0.3 0.570 72.3 56.8 -56.2 -19.3 28.2 43.9 23.6 14 29 A Y T 3 S+ 0 0 21 86,-0.2 15,-2.3 88,-0.1 2,-0.3 0.470 80.7 109.8 -95.5 -3.5 24.4 44.7 24.0 15 30 A Q E < -J 28 0C 6 -3,-1.8 36,-0.5 13,-0.2 37,-0.4 -0.550 47.5-174.0 -74.6 132.4 23.7 41.6 26.1 16 31 A V E -JK 27 50C 0 11,-2.3 11,-1.1 -2,-0.3 2,-0.5 -0.899 18.7-139.3-125.8 156.8 23.0 42.3 29.8 17 32 A S E -JK 26 49C 0 32,-2.2 32,-2.7 -2,-0.3 2,-0.6 -0.966 13.4-143.0-113.6 128.8 22.4 40.0 32.8 18 33 A L E -JK 25 48C 0 7,-3.3 6,-2.3 -2,-0.5 7,-1.0 -0.837 28.4-169.0 -91.5 126.6 19.7 40.9 35.2 19 34 A N E +JK 23 47C 16 28,-2.7 28,-2.5 -2,-0.6 4,-0.2 -0.948 34.8 164.7-127.7 138.0 20.9 40.0 38.7 20 37 A S S S- 0 0 36 2,-2.0 3,-0.1 -2,-0.4 26,-0.1 -0.330 97.1 -47.1-139.0 48.6 19.4 39.7 42.2 21 38 A G S S+ 0 0 72 26,-0.1 2,-0.3 1,-0.1 -2,-0.1 0.341 139.2 30.4 99.1 -4.7 22.2 37.8 43.9 22 39 A Y S S- 0 0 131 -4,-0.0 -2,-2.0 0, 0.0 2,-0.4 -0.927 100.7 -83.8-171.9 159.6 22.3 35.5 40.9 23 40 A H E +J 19 0C 32 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.621 50.1 157.5 -75.7 129.2 21.6 35.7 37.2 24 41 A F E + 0 0 31 -6,-2.3 2,-0.3 1,-0.4 151,-0.2 0.555 59.4 5.4-128.1 -17.5 17.8 35.3 36.5 25 42 A b E -J 18 0C 7 -7,-1.0 -7,-3.3 151,-0.1 -1,-0.4 -0.989 60.7-126.4-161.7 162.2 17.2 36.9 33.1 26 43 A G E +J 17 0C 1 151,-2.9 12,-0.4 -2,-0.3 2,-0.3 -0.437 25.5 177.7-103.3-178.9 18.9 38.5 30.1 27 44 A G E -J 16 0C 0 -11,-1.1 -11,-2.3 -2,-0.2 2,-0.4 -0.965 24.3-115.0-170.9 173.6 18.2 41.8 28.5 28 45 A S E -JL 15 36C 2 8,-2.4 8,-2.8 -2,-0.3 2,-0.6 -0.992 19.4-131.7-129.4 131.9 19.4 44.1 25.7 29 46 A L E + L 0 35C 0 -15,-2.3 74,-2.4 -2,-0.4 6,-0.2 -0.686 26.3 174.2 -80.6 119.6 20.9 47.6 26.0 30 47 A I E - 0 0 18 4,-2.4 2,-0.3 -2,-0.6 5,-0.2 0.569 66.8 -11.4-104.3 -10.4 19.1 49.9 23.6 31 48 A N E > S- L 0 34C 51 3,-1.0 3,-0.8 70,-0.1 -1,-0.3 -0.934 91.6 -72.2-169.5 176.5 20.8 53.2 24.6 32 49 A S T 3 S+ 0 0 48 -2,-0.3 62,-3.3 1,-0.2 60,-0.1 0.711 128.7 24.2 -57.0 -19.6 23.0 54.5 27.4 33 50 A Q T 3 S+ 0 0 58 60,-0.2 57,-2.7 1,-0.1 2,-0.4 0.384 108.9 72.8-129.8 6.6 20.3 54.4 30.0 34 51 A W E < -LM 31 89C 9 -3,-0.8 -4,-2.4 55,-0.2 -3,-1.0 -0.979 47.4-170.9-132.2 140.4 17.6 51.9 28.9 35 52 A V E -LM 29 88C 0 53,-2.5 53,-2.8 -2,-0.4 2,-0.4 -0.941 13.7-146.2-122.8 141.7 17.4 48.1 28.7 36 53 A V E +LM 28 87C 2 -8,-2.8 -8,-2.4 -2,-0.4 2,-0.2 -0.923 33.5 146.5-108.9 135.2 14.7 46.0 27.1 37 54 A S E - M 0 86C 0 49,-2.8 49,-2.4 -2,-0.4 2,-0.3 -0.731 49.2 -67.1-146.2-165.5 13.8 42.7 28.7 38 55 A A > - 0 0 0 -12,-0.4 3,-1.5 47,-0.3 47,-0.3 -0.743 31.4-133.0 -97.2 144.7 10.7 40.4 29.2 39 56 A A G > S+ 0 0 3 -2,-0.3 3,-1.8 1,-0.3 -1,-0.1 0.848 105.6 62.3 -62.8 -33.1 7.8 41.4 31.4 40 57 A H G 3 S+ 0 0 67 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.545 93.4 65.9 -73.2 -1.2 7.8 37.9 33.1 41 58 A b G < S+ 0 0 5 -3,-1.5 -1,-0.3 -15,-0.0 -2,-0.2 0.451 76.8 129.9 -92.9 -3.5 11.3 38.7 34.3 42 59 A Y < + 0 0 124 -3,-1.8 2,-0.3 -4,-0.1 -3,-0.0 -0.213 20.3 133.0 -59.3 140.2 10.0 41.5 36.5 43 60 A K - 0 0 59 3,-0.0 3,-0.3 0, 0.0 2,-0.1 -0.930 52.2 -98.7-172.9 161.1 11.0 41.7 40.2 44 61 A S S S+ 0 0 98 -2,-0.3 0, 0.0 1,-0.2 0, 0.0 -0.464 96.7 42.4 -86.7 165.8 12.2 44.4 42.6 45 62 A G S S+ 0 0 67 1,-0.2 2,-0.4 -2,-0.1 -1,-0.2 0.901 74.4 169.6 67.6 42.9 15.9 44.8 43.5 46 63 A I - 0 0 10 -3,-0.3 21,-2.2 21,-0.1 2,-0.5 -0.745 19.3-166.0 -91.7 130.7 17.3 44.3 40.0 47 64 A Q E -KN 19 66C 52 -28,-2.5 -28,-2.7 -2,-0.4 2,-0.5 -0.972 16.1-140.3-113.7 126.4 20.9 45.1 39.3 48 65 A V E -KN 18 65C 0 17,-3.4 17,-3.0 -2,-0.5 2,-0.6 -0.751 12.6-158.3 -89.1 128.1 21.8 45.4 35.6 49 66 A R E -KN 17 64C 51 -32,-2.7 -32,-2.2 -2,-0.5 3,-0.3 -0.923 12.3-173.9-114.1 112.6 25.2 43.8 34.7 50 67 A L E +KN 16 63C 2 13,-3.1 13,-1.9 -2,-0.6 -34,-0.1 -0.642 60.6 24.6-101.4 157.2 26.8 45.0 31.5 51 69 A G S S+ 0 0 7 -36,-0.5 -1,-0.2 -38,-0.3 2,-0.2 0.745 84.4 155.6 62.8 27.6 29.9 43.9 29.7 52 70 A E + 0 0 10 -37,-0.4 -42,-0.3 -3,-0.3 -1,-0.2 -0.504 22.1 152.1 -86.6 150.9 29.7 40.4 31.2 53 71 A D S S+ 0 0 15 1,-0.4 2,-0.8 4,-0.2 -1,-0.2 0.274 80.1 34.1-134.1 -76.4 31.1 37.1 29.9 54 72 A N S > S- 0 0 27 80,-0.2 3,-0.9 1,-0.1 -1,-0.4 -0.763 73.5-163.0 -83.0 113.2 31.9 34.8 32.9 55 73 A I T 3 S+ 0 0 28 78,-2.6 -1,-0.1 -2,-0.8 79,-0.1 0.539 82.8 53.7 -77.0 -3.4 29.0 35.8 35.2 56 74 A N T 3 S+ 0 0 114 77,-0.2 2,-0.4 1,-0.1 -1,-0.2 0.463 104.9 53.5-107.9 -3.3 30.7 34.3 38.3 57 75 A V S < S- 0 0 77 -3,-0.9 2,-0.8 76,-0.2 -4,-0.2 -0.994 78.5-125.4-133.6 137.8 34.1 36.0 38.1 58 76 A V + 0 0 116 -2,-0.4 -3,-0.1 1,-0.2 3,-0.1 -0.744 40.3 162.8 -80.9 113.3 35.0 39.7 37.9 59 77 A E - 0 0 105 -2,-0.8 -1,-0.2 1,-0.3 2,-0.1 0.583 52.0 -91.9-107.5 -16.2 37.2 39.7 34.8 60 78 A G S S+ 0 0 34 -9,-0.0 -1,-0.3 0, 0.0 3,-0.1 -0.195 100.6 63.7 113.7 152.5 37.2 43.4 33.9 61 79 A N S S+ 0 0 78 1,-0.3 2,-0.1 -2,-0.1 -9,-0.1 0.247 71.5 132.3 83.1 -11.4 34.9 45.5 31.6 62 80 A E - 0 0 33 -13,-0.0 2,-0.4 2,-0.0 -1,-0.3 -0.430 38.2-166.1 -73.8 148.3 31.9 44.8 33.8 63 81 A Q E -N 50 0C 39 -13,-1.9 -13,-3.1 -2,-0.1 2,-0.6 -0.984 3.8-160.9-133.9 119.5 29.6 47.7 34.8 64 82 A F E +N 49 0C 85 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.914 17.4 172.4-103.7 123.1 27.1 47.0 37.5 65 83 A I E -N 48 0C 12 -17,-3.0 -17,-3.4 -2,-0.6 2,-0.1 -0.994 28.7-124.8-137.1 132.1 24.2 49.5 37.6 66 84 A S E -N 47 0C 60 -2,-0.4 25,-2.7 -19,-0.2 2,-0.4 -0.387 27.8-116.4 -71.4 149.2 21.0 49.5 39.7 67 85 A A E -O 90 0C 26 -21,-2.2 23,-0.2 23,-0.2 -21,-0.1 -0.723 24.1-170.3 -83.8 132.5 17.7 49.7 38.0 68 86 A S E S+ 0 0 67 21,-2.9 2,-0.3 -2,-0.4 22,-0.2 0.736 72.1 4.6 -94.2 -27.3 15.9 52.9 38.9 69 87 A K E -O 89 0C 69 20,-1.2 20,-2.8 2,-0.0 2,-0.5 -0.973 58.3-156.9-157.9 140.4 12.6 51.9 37.3 70 88 A S E -O 88 0C 32 -2,-0.3 2,-0.6 18,-0.2 18,-0.2 -0.990 10.7-161.9-121.3 128.1 11.1 48.9 35.6 71 89 A I E -O 87 0C 32 16,-3.8 16,-2.4 -2,-0.5 2,-0.3 -0.884 2.6-164.6-117.4 100.8 8.2 49.4 33.2 72 90 A V E -O 86 0C 45 -2,-0.6 14,-0.2 14,-0.2 12,-0.1 -0.598 40.6 -94.7 -79.1 140.6 6.1 46.3 32.4 73 91 A H > - 0 0 24 12,-2.0 3,-2.1 10,-0.3 -1,-0.1 -0.351 32.3-130.1 -57.4 130.3 3.9 46.7 29.4 74 92 A P T 3 S+ 0 0 106 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.704 105.9 48.6 -56.9 -21.3 0.4 47.7 30.8 75 93 A S T 3 S+ 0 0 73 8,-0.1 2,-0.1 2,-0.1 -2,-0.1 0.197 77.9 136.8-105.9 15.6 -1.3 45.0 28.7 76 94 A Y < - 0 0 58 -3,-2.1 2,-0.5 9,-0.1 7,-0.2 -0.423 39.5-157.9 -62.6 133.1 1.0 42.2 29.7 77 95 A N > - 0 0 70 5,-1.8 4,-2.7 -2,-0.1 5,-0.5 -0.960 8.1-160.2-118.0 112.7 -0.9 39.0 30.4 78 96 A S T 4 S+ 0 0 82 -2,-0.5 -1,-0.1 1,-0.2 -2,-0.0 0.650 89.4 54.0 -67.2 -15.8 0.9 36.5 32.7 79 97 A N T 4 S+ 0 0 146 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.856 124.5 21.2 -85.8 -37.3 -1.3 33.6 31.6 80 98 A T T 4 S- 0 0 71 -3,-0.3 -2,-0.2 2,-0.1 77,-0.1 0.597 93.9-134.0-103.7 -16.8 -0.8 34.0 27.8 81 99 A L >< + 0 0 31 -4,-2.7 3,-0.8 1,-0.3 2,-0.2 0.686 48.0 157.7 66.4 21.3 2.4 35.9 27.9 82 100 A N T 3 + 0 0 34 -5,-0.5 -5,-1.8 1,-0.3 -1,-0.3 -0.568 66.8 19.7 -73.9 140.2 1.0 38.3 25.3 83 101 A N T 3 S+ 0 0 19 -2,-0.2 2,-2.0 1,-0.2 -10,-0.3 0.895 79.8 174.3 66.3 41.3 2.9 41.6 25.4 84 102 A D < + 0 0 0 -3,-0.8 2,-0.3 75,-0.2 -1,-0.2 -0.544 33.2 113.7 -83.0 78.9 5.8 40.0 27.3 85 103 A I - 0 0 0 -2,-2.0 -12,-2.0 -47,-0.3 2,-0.3 -0.996 38.4-178.0-150.4 144.9 8.1 43.1 27.2 86 104 A M E -MO 37 72C 0 -49,-2.4 -49,-2.8 -2,-0.3 2,-0.4 -0.996 16.5-142.9-145.4 145.9 9.5 45.4 29.9 87 105 A L E -MO 36 71C 0 -16,-2.4 -16,-3.8 -2,-0.3 2,-0.5 -0.921 13.3-162.6-111.8 137.1 11.7 48.5 29.9 88 106 A I E -MO 35 70C 0 -53,-2.8 -53,-2.5 -2,-0.4 2,-0.5 -0.980 6.0-152.3-121.6 126.0 14.3 49.1 32.6 89 107 A K E -MO 34 69C 42 -20,-2.8 -21,-2.9 -2,-0.5 -20,-1.2 -0.839 19.7-129.4 -97.4 132.4 15.8 52.5 33.2 90 108 A L E - O 0 67C 0 -57,-2.7 -23,-0.2 -2,-0.5 3,-0.1 -0.546 11.1-128.8 -80.7 145.2 19.3 52.6 34.7 91 109 A K S S+ 0 0 156 -25,-2.7 2,-0.3 -2,-0.2 -1,-0.1 0.871 97.2 12.3 -58.7 -38.4 20.1 54.7 37.8 92 110 A S S S- 0 0 66 -26,-0.3 -1,-0.1 -60,-0.1 2,-0.1 -0.969 97.0 -91.7-137.8 152.6 23.0 56.2 35.9 93 111 A A - 0 0 53 -2,-0.3 -60,-0.2 1,-0.1 -61,-0.1 -0.351 42.3-118.2 -65.4 141.1 24.0 56.0 32.2 94 112 A A - 0 0 8 -62,-3.3 2,-0.8 -63,-0.1 -1,-0.1 -0.400 25.2-112.1 -75.5 157.6 26.3 53.2 31.2 95 113 A S - 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