==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 16-MAR-99 2BZA . 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) . 9398.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 136 61.0 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 . 18 8.1 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 2 0, 0.0 2,-0.5 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 125.4 -12.3 36.9 42.7 2 17 A V B +A 171 0A 8 169,-3.1 169,-1.8 1,-0.2 123,-0.1 -0.880 360.0 4.7-103.7 131.1 -8.6 36.7 41.6 3 18 A G S S+ 0 0 46 121,-0.5 -1,-0.2 -2,-0.5 122,-0.1 0.731 102.2 125.1 73.1 22.6 -7.4 38.9 38.8 4 19 A G - 0 0 32 -3,-0.4 2,-0.3 167,-0.1 134,-0.2 -0.101 53.3-117.6 -98.2-161.2 -10.7 40.7 38.5 5 20 A Y E -B 137 0B 102 132,-2.3 132,-3.3 -3,-0.1 2,-0.5 -0.947 35.0 -85.9-139.6 158.4 -11.9 44.3 38.6 6 21 A T E -B 136 0B 74 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.530 36.4-151.3 -66.5 117.7 -14.1 46.5 40.7 7 22 A a - 0 0 17 128,-1.9 -1,-0.2 -2,-0.5 129,-0.1 0.914 36.8-113.5 -55.9 -50.0 -17.6 46.0 39.3 8 23 A G > - 0 0 27 127,-0.5 3,-1.8 -3,-0.1 4,-0.3 -0.002 47.3 -54.2 115.6 136.2 -18.9 49.4 40.3 9 24 A A T 3 S- 0 0 60 1,-0.3 44,-0.1 2,-0.1 43,-0.0 -0.124 119.2 -13.0 -46.2 120.5 -21.7 50.1 42.8 10 25 A N T 3 S+ 0 0 36 42,-0.3 -1,-0.3 2,-0.1 43,-0.1 0.770 90.3 128.7 56.8 34.5 -24.8 48.2 42.0 11 26 A T S < S+ 0 0 83 -3,-1.8 -2,-0.1 1,-0.3 -1,-0.1 0.514 75.4 48.9 -92.4 -6.8 -23.8 47.2 38.5 12 27 A V S > S+ 0 0 7 -4,-0.3 3,-1.8 87,-0.1 -1,-0.3 -0.671 73.1 174.7-130.0 71.5 -24.7 43.5 39.3 13 28 A P T 3 S+ 0 0 34 0, 0.0 88,-1.1 0, 0.0 38,-0.3 0.594 73.1 56.7 -56.1 -18.5 -28.2 44.1 40.9 14 29 A Y T 3 S+ 0 0 22 86,-0.2 15,-2.3 88,-0.1 2,-0.2 0.507 80.6 108.8 -94.4 -6.8 -28.9 40.3 41.3 15 30 A Q E < -J 28 0C 5 -3,-1.8 36,-0.5 13,-0.2 37,-0.4 -0.506 48.7-172.6 -72.4 134.6 -25.8 39.6 43.4 16 31 A V E -JK 27 50C 0 11,-2.3 11,-1.2 -2,-0.2 2,-0.5 -0.911 18.4-138.6-127.6 157.2 -26.5 38.8 47.0 17 32 A S E -JK 26 49C 1 32,-2.3 32,-2.8 -2,-0.3 2,-0.6 -0.969 12.7-144.3-115.1 125.9 -24.3 38.3 50.1 18 33 A L E -JK 25 48C 0 7,-3.3 6,-2.3 -2,-0.5 7,-1.0 -0.825 28.5-171.0 -90.2 124.0 -25.2 35.6 52.5 19 34 A N E +JK 23 47C 15 28,-2.8 28,-2.5 -2,-0.6 4,-0.2 -0.940 34.0 165.1-126.1 139.7 -24.3 36.8 56.0 20 37 A S S S- 0 0 35 2,-2.0 3,-0.1 -2,-0.4 26,-0.1 -0.314 97.2 -45.3-140.8 48.4 -24.1 35.3 59.5 21 38 A G S S+ 0 0 71 26,-0.1 2,-0.3 1,-0.1 -2,-0.1 0.291 139.7 28.3 101.5 -6.8 -22.1 38.0 61.2 22 39 A Y S S- 0 0 127 -4,-0.0 -2,-2.0 0, 0.0 2,-0.4 -0.938 100.4 -82.4-171.6 160.6 -19.8 38.1 58.2 23 40 A H E +J 19 0C 33 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.617 49.9 157.5 -75.4 128.8 -19.9 37.4 54.5 24 41 A F E + 0 0 30 -6,-2.3 2,-0.3 1,-0.4 151,-0.2 0.561 59.7 4.2-127.6 -17.5 -19.5 33.7 53.8 25 42 A b E -J 18 0C 7 -7,-1.0 -7,-3.3 151,-0.1 -1,-0.4 -0.989 60.7-125.2-162.1 162.5 -21.1 33.1 50.4 26 43 A G E +J 17 0C 1 151,-2.9 12,-0.4 -2,-0.3 2,-0.3 -0.454 25.7 177.9-103.2-179.7 -22.7 34.8 47.4 27 44 A G E -J 16 0C 0 -11,-1.2 -11,-2.3 -2,-0.2 2,-0.4 -0.966 23.8-115.3-169.4 173.8 -26.0 34.1 45.7 28 45 A S E -JL 15 36C 2 8,-2.3 8,-2.7 -2,-0.3 2,-0.6 -0.989 18.9-131.8-129.7 134.5 -28.3 35.3 42.9 29 46 A L E + L 0 35C 0 -15,-2.3 74,-2.6 -2,-0.4 6,-0.2 -0.728 26.3 173.3 -83.4 118.4 -31.8 36.8 43.2 30 47 A I E - 0 0 20 4,-2.1 2,-0.3 -2,-0.6 5,-0.2 0.568 68.1 -11.0-103.1 -11.2 -34.1 35.0 40.8 31 48 A N E > S- L 0 34C 51 3,-1.1 3,-0.8 70,-0.1 -1,-0.3 -0.938 91.0 -73.5-169.2 175.4 -37.4 36.7 41.8 32 49 A S T 3 S+ 0 0 46 -2,-0.3 62,-3.3 1,-0.2 60,-0.1 0.667 128.0 25.0 -58.2 -17.0 -38.6 38.9 44.7 33 50 A Q T 3 S+ 0 0 58 60,-0.2 57,-2.8 1,-0.1 2,-0.4 0.409 109.1 72.8-130.4 4.9 -38.6 36.2 47.2 34 51 A W E < -LM 31 89C 10 -3,-0.8 -4,-2.1 55,-0.2 -3,-1.1 -0.971 47.7-170.9-130.6 141.7 -36.1 33.5 46.1 35 52 A V E -LM 29 88C 0 53,-2.6 53,-2.9 -2,-0.4 2,-0.4 -0.950 13.4-146.4-124.5 140.6 -32.3 33.3 46.0 36 53 A V E +LM 28 87C 1 -8,-2.7 -8,-2.3 -2,-0.4 2,-0.2 -0.908 33.1 147.3-107.4 134.9 -30.2 30.6 44.3 37 54 A S E - M 0 86C 0 49,-3.1 49,-2.7 -2,-0.4 2,-0.3 -0.757 48.8 -68.2-146.3-167.4 -26.9 29.6 45.9 38 55 A A > - 0 0 0 -12,-0.4 3,-1.6 47,-0.3 47,-0.3 -0.735 32.5-132.2 -95.5 143.5 -24.6 26.6 46.4 39 56 A A G > S+ 0 0 3 -2,-0.3 3,-1.9 1,-0.3 -1,-0.1 0.844 105.2 61.8 -61.7 -34.1 -25.6 23.7 48.6 40 57 A H G 3 S+ 0 0 68 1,-0.3 -1,-0.3 41,-0.1 44,-0.0 0.536 93.4 66.7 -73.3 -0.8 -22.2 23.7 50.4 41 58 A b G < S+ 0 0 5 -3,-1.6 -1,-0.3 -15,-0.0 -2,-0.2 0.472 76.1 128.3 -91.7 -5.5 -23.0 27.2 51.6 42 59 A Y < + 0 0 126 -3,-1.9 2,-0.3 -4,-0.2 -3,-0.0 -0.215 21.5 133.1 -57.8 140.6 -25.8 25.9 53.8 43 60 A K - 0 0 60 3,-0.0 3,-0.3 0, 0.0 2,-0.1 -0.910 52.4 -97.7-174.7 159.2 -26.0 26.8 57.4 44 61 A S S S+ 0 0 98 -2,-0.3 0, 0.0 1,-0.2 0, 0.0 -0.416 96.2 42.2 -85.2 166.1 -28.7 28.1 59.8 45 62 A G S S+ 0 0 68 1,-0.2 2,-0.4 22,-0.1 -1,-0.2 0.894 74.4 170.8 67.9 41.8 -29.2 31.7 60.8 46 63 A I - 0 0 10 -3,-0.3 21,-2.5 21,-0.1 2,-0.5 -0.725 18.8-166.8 -90.6 130.0 -28.7 33.1 57.3 47 64 A Q E -KN 19 66C 50 -28,-2.5 -28,-2.8 -2,-0.4 2,-0.5 -0.967 16.2-141.0-112.7 127.2 -29.4 36.8 56.6 48 65 A V E -KN 18 65C 0 17,-3.3 17,-2.8 -2,-0.5 2,-0.6 -0.782 12.0-157.8 -91.8 127.1 -29.6 37.7 52.9 49 66 A R E -KN 17 64C 51 -32,-2.8 -32,-2.3 -2,-0.5 3,-0.3 -0.924 12.7-175.1-111.4 115.7 -28.0 41.1 52.0 50 67 A L E +KN 16 63C 3 13,-2.9 13,-1.8 -2,-0.6 -34,-0.1 -0.696 60.7 26.8-105.6 158.2 -29.2 42.7 48.8 51 69 A G S S+ 0 0 7 -36,-0.5 2,-0.2 -38,-0.3 -1,-0.2 0.749 85.0 155.8 63.5 27.5 -28.1 45.9 47.0 52 70 A E + 0 0 12 -37,-0.4 -42,-0.3 -3,-0.3 -1,-0.2 -0.527 21.7 150.2 -87.8 148.7 -24.6 45.6 48.5 53 71 A D S S+ 0 0 15 1,-0.3 2,-0.9 4,-0.2 82,-0.2 0.292 79.7 33.7-133.5 -76.1 -21.4 47.0 47.2 54 72 A N S > S- 0 0 27 80,-0.2 3,-1.1 1,-0.2 -1,-0.3 -0.761 73.1-163.7 -84.6 109.9 -19.1 47.8 50.2 55 73 A I T 3 S+ 0 0 28 78,-2.6 -1,-0.2 -2,-0.9 79,-0.1 0.557 82.4 55.0 -73.5 -5.8 -20.1 44.9 52.6 56 74 A N T 3 S+ 0 0 110 77,-0.2 2,-0.4 1,-0.1 -1,-0.2 0.439 105.2 52.9-105.3 -0.8 -18.5 46.6 55.6 57 75 A V S < S- 0 0 79 -3,-1.1 2,-0.9 76,-0.2 -4,-0.2 -0.997 78.7-124.6-136.7 138.4 -20.3 50.0 55.4 58 76 A V + 0 0 116 -2,-0.4 3,-0.1 1,-0.2 -3,-0.1 -0.736 40.5 162.4 -81.4 109.6 -24.0 50.9 55.2 59 77 A E - 0 0 110 -2,-0.9 -1,-0.2 1,-0.3 2,-0.1 0.603 52.1 -94.1-103.5 -17.4 -24.0 53.1 52.1 60 78 A G S S+ 0 0 32 -9,-0.0 -1,-0.3 0, 0.0 3,-0.1 -0.220 99.8 65.6 113.5 154.0 -27.7 53.1 51.2 61 79 A N S S+ 0 0 66 1,-0.3 2,-0.1 -2,-0.1 -9,-0.0 0.350 71.6 132.2 81.0 -5.6 -29.7 50.8 48.9 62 80 A E - 0 0 33 -13,-0.0 2,-0.4 2,-0.0 -1,-0.3 -0.473 38.3-166.1 -78.6 152.5 -29.1 47.8 51.0 63 81 A Q E -N 50 0C 37 -13,-1.8 -13,-2.9 -2,-0.1 2,-0.6 -0.973 3.8-160.7-138.1 118.7 -31.9 45.5 52.1 64 82 A F E +N 49 0C 83 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.917 17.7 171.1-103.8 120.9 -31.3 42.9 54.8 65 83 A I E -N 48 0C 12 -17,-2.8 -17,-3.3 -2,-0.6 2,-0.1 -0.994 29.0-127.1-134.6 128.7 -33.8 40.1 54.9 66 84 A S E -N 47 0C 60 -2,-0.4 25,-2.6 -19,-0.3 2,-0.4 -0.384 29.1-112.5 -70.5 150.1 -33.7 36.9 57.0 67 85 A A E -O 90 0C 26 -21,-2.5 23,-0.2 23,-0.2 3,-0.1 -0.695 24.6-168.7 -82.0 132.4 -33.9 33.6 55.2 68 86 A S E S+ 0 0 67 21,-3.1 2,-0.3 -2,-0.4 22,-0.2 0.751 73.1 2.7 -91.5 -26.9 -37.2 31.8 56.1 69 87 A K E -O 89 0C 82 20,-1.3 20,-3.1 2,-0.0 2,-0.5 -0.963 58.0-155.4-160.9 139.2 -36.1 28.5 54.6 70 88 A S E -O 88 0C 32 -2,-0.3 2,-0.6 18,-0.2 18,-0.2 -0.981 11.5-161.5-119.4 127.0 -33.1 27.0 52.8 71 89 A I E -O 87 0C 31 16,-4.0 16,-2.2 -2,-0.5 2,-0.3 -0.866 2.2-164.1-115.8 99.9 -33.6 24.1 50.5 72 90 A V E -O 86 0C 46 -2,-0.6 14,-0.2 14,-0.2 12,-0.1 -0.598 40.0 -96.9 -78.4 137.6 -30.5 22.0 49.7 73 91 A H > - 0 0 23 12,-2.0 3,-2.2 -2,-0.3 -1,-0.1 -0.350 32.2-130.1 -55.9 127.8 -31.0 19.8 46.6 74 92 A P T 3 S+ 0 0 107 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.708 105.7 50.3 -54.6 -23.6 -31.9 16.3 48.0 75 93 A S T 3 S+ 0 0 74 8,-0.1 2,-0.1 2,-0.1 -2,-0.1 0.226 77.7 137.4-101.6 13.9 -29.2 14.6 45.9 76 94 A Y < - 0 0 55 -3,-2.2 2,-0.6 9,-0.1 7,-0.2 -0.400 39.5-157.6 -61.1 130.7 -26.4 16.9 47.0 77 95 A N > - 0 0 70 5,-2.0 4,-2.3 -2,-0.1 5,-0.5 -0.958 7.6-161.2-114.9 115.5 -23.2 14.9 47.7 78 96 A S T 4 S+ 0 0 78 -2,-0.6 -1,-0.1 1,-0.2 -2,-0.0 0.655 89.0 53.0 -70.9 -15.8 -20.8 16.8 49.9 79 97 A N T 4 S+ 0 0 149 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.811 124.2 23.0 -88.6 -31.8 -17.9 14.6 48.9 80 98 A T T 4 S- 0 0 71 -3,-0.2 -2,-0.2 2,-0.1 77,-0.1 0.568 94.5-133.9-106.8 -15.0 -18.2 15.1 45.1 81 99 A L >< + 0 0 34 -4,-2.3 3,-0.8 1,-0.2 2,-0.2 0.683 48.7 157.8 65.7 20.5 -20.1 18.4 45.2 82 100 A N T 3 + 0 0 33 -5,-0.5 -5,-2.0 1,-0.3 -1,-0.2 -0.547 65.3 19.7 -74.0 141.9 -22.5 17.0 42.6 83 101 A N T 3 S+ 0 0 18 -7,-0.2 2,-2.1 1,-0.2 -10,-0.3 0.891 79.6 175.0 64.8 41.5 -25.8 18.8 42.7 84 102 A D < + 0 0 0 -3,-0.8 2,-0.3 75,-0.2 -1,-0.2 -0.509 32.8 116.1 -81.7 77.1 -24.2 21.8 44.5 85 103 A I - 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