==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 25-MAR-05 1Z7K . COMPND 2 MOLECULE: TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; . AUTHOR B.SYED IBRAHIM,V.PATTABHI . 289 3 9 9 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12950.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 179 61.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 88 30.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 27 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 23 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 1 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 . 5 5 2 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 . 1 1 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 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 1 0, 0.0 2,-0.4 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 122.6 27.2 -31.1 36.7 2 17 A V B +A 171 0A 9 169,-3.2 169,-1.8 1,-0.2 123,-0.1 -0.844 360.0 5.1-101.6 132.7 24.2 -30.2 34.3 3 18 A G S S+ 0 0 44 121,-0.6 -1,-0.2 -2,-0.4 167,-0.1 0.618 101.6 115.5 79.0 14.7 24.0 -27.0 32.5 4 19 A G - 0 0 27 -3,-0.3 2,-0.3 167,-0.1 134,-0.2 -0.032 59.0-110.2-100.1-160.1 27.5 -25.8 33.6 5 20 A Y E -B 137 0B 102 132,-2.7 132,-3.2 -3,-0.1 2,-0.5 -0.894 34.5 -88.2-132.0 162.0 30.7 -25.1 31.7 6 21 A T E -B 136 0B 77 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.607 49.4-125.2 -69.9 119.5 34.1 -26.6 31.3 7 22 A a - 0 0 14 128,-2.0 3,-0.1 -2,-0.5 128,-0.1 -0.371 26.4-106.5 -61.1 147.2 36.3 -25.1 34.1 8 23 A A > - 0 0 68 1,-0.1 3,-2.0 2,-0.1 4,-0.3 -0.435 50.0 -83.3 -71.3 150.8 39.5 -23.4 32.9 9 24 A A T 3 S+ 0 0 64 1,-0.3 -1,-0.1 2,-0.1 44,-0.1 -0.216 115.2 8.2 -56.4 134.2 42.7 -25.4 33.7 10 25 A N T 3 S+ 0 0 80 2,-0.1 -1,-0.3 1,-0.1 -2,-0.1 0.598 94.6 118.7 67.6 11.4 43.9 -24.8 37.3 11 26 A S S < S+ 0 0 52 -3,-2.0 -2,-0.1 1,-0.2 -1,-0.1 0.765 80.7 32.7 -72.4 -33.6 40.8 -22.9 38.1 12 27 A I > + 0 0 16 -4,-0.3 3,-1.4 1,-0.1 -1,-0.2 -0.588 67.7 160.0-126.6 68.4 39.7 -25.3 40.8 13 28 A P T 3 S+ 0 0 27 0, 0.0 88,-1.6 0, 0.0 38,-0.3 0.604 71.2 60.2 -69.9 -11.3 42.9 -26.6 42.4 14 29 A Y T 3 S+ 0 0 23 86,-0.2 15,-2.4 88,-0.1 2,-0.3 0.472 80.1 107.0 -93.5 -8.1 41.2 -27.7 45.6 15 30 A Q E < -K 28 0C 7 -3,-1.4 36,-0.6 13,-0.2 37,-0.3 -0.596 49.1-176.4 -72.4 131.9 38.9 -30.2 43.8 16 31 A V E -KL 27 50C 2 11,-2.2 11,-1.2 -2,-0.3 2,-0.4 -0.845 20.9-134.1-123.0 162.0 39.8 -33.9 44.3 17 32 A S E -KL 26 49C 1 32,-2.4 32,-2.9 -2,-0.3 2,-0.5 -0.954 13.5-143.2-112.7 134.9 38.5 -37.1 42.9 18 33 A L E -KL 25 48C 0 7,-3.3 6,-2.3 -2,-0.4 7,-1.2 -0.906 25.8-170.0 -96.5 125.8 37.9 -40.1 45.2 19 34 A N E +KL 23 47C 16 28,-2.8 28,-2.7 -2,-0.5 4,-0.2 -0.951 31.2 165.7-127.7 129.2 38.8 -43.3 43.4 20 37 A S S S- 0 0 44 2,-2.0 3,-0.1 -2,-0.4 -1,-0.1 -0.186 98.1 -39.9-129.7 47.2 38.2 -46.9 44.3 21 38 A G S S+ 0 0 70 26,-0.1 2,-0.3 0, 0.0 -2,-0.1 -0.340 140.8 16.3 121.0 -38.7 39.0 -48.4 40.8 22 39 A S S S- 0 0 65 -4,-0.0 -2,-2.0 0, 0.0 2,-0.1 -0.935 104.0 -72.1-151.4 166.8 37.2 -45.5 39.1 23 40 A H E +K 19 0C 20 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.405 53.2 157.2 -62.8 134.9 36.0 -42.0 40.2 24 41 A F E + 0 0 1 -6,-2.3 226,-2.4 1,-0.5 2,-0.3 0.537 60.4 6.5-133.4 -24.2 32.9 -42.3 42.5 25 42 A b E -K 18 0C 0 -7,-1.2 -7,-3.3 224,-0.2 -1,-0.5 -0.961 62.6-126.0-154.7 164.8 32.8 -39.0 44.4 26 43 A G E +K 17 0C 2 151,-3.3 12,-0.4 -2,-0.3 2,-0.3 -0.427 24.5 179.6 -99.8 179.0 34.5 -35.6 44.7 27 44 A G E -K 16 0C 0 -11,-1.2 -11,-2.2 -2,-0.2 2,-0.4 -0.951 23.4-116.9-169.5 177.4 36.0 -33.9 47.6 28 45 A S E -KM 15 36C 1 8,-2.4 8,-2.4 -2,-0.3 2,-0.6 -0.991 19.3-131.1-134.2 128.9 37.8 -30.7 48.6 29 46 A L E + M 0 35C 1 -15,-2.4 74,-2.1 -2,-0.4 6,-0.2 -0.740 27.0 172.8 -77.0 119.9 41.4 -30.2 49.9 30 47 A I E - 0 0 19 4,-2.2 2,-0.3 -2,-0.6 5,-0.2 0.737 65.7 -6.3-103.1 -19.9 41.4 -28.1 53.0 31 48 A N E > S- M 0 34C 51 3,-1.3 3,-1.0 70,-0.1 -1,-0.3 -0.918 92.6 -72.4-158.8 176.3 45.0 -28.4 54.1 32 49 A S T 3 S+ 0 0 39 -2,-0.3 62,-3.2 1,-0.2 60,-0.1 0.696 128.3 19.4 -50.0 -27.2 48.1 -30.4 53.0 33 50 A Q T 3 S+ 0 0 70 60,-0.2 57,-3.1 1,-0.1 2,-0.4 0.432 108.3 78.8-131.9 10.6 46.8 -33.6 54.5 34 51 A W E < -MN 31 89C 5 -3,-1.0 -4,-2.2 55,-0.2 -3,-1.3 -0.984 46.0-172.1-129.8 135.7 43.0 -33.4 54.9 35 52 A V E -MN 29 88C 0 53,-2.4 53,-2.7 -2,-0.4 2,-0.4 -0.932 12.8-147.6-121.8 140.8 40.1 -33.7 52.5 36 53 A V E +MN 28 87C 1 -8,-2.4 -8,-2.4 -2,-0.3 2,-0.2 -0.920 32.7 144.7-108.2 134.2 36.4 -33.0 53.2 37 54 A S E - N 0 86C 0 49,-2.5 49,-2.3 -2,-0.4 2,-0.4 -0.772 50.6 -66.5-147.2-167.3 33.8 -35.1 51.4 38 55 A A > - 0 0 0 -12,-0.4 3,-1.9 47,-0.2 47,-0.3 -0.731 32.7-132.5 -93.0 141.2 30.3 -36.6 52.0 39 56 A A G > S+ 0 0 1 -2,-0.4 3,-1.8 1,-0.3 -1,-0.1 0.810 105.6 64.3 -58.4 -30.0 29.8 -39.4 54.4 40 57 A H G 3 S+ 0 0 33 1,-0.3 -1,-0.3 41,-0.1 209,-0.0 0.656 91.6 66.2 -71.9 -11.6 27.7 -41.3 51.9 41 58 A b G < S+ 0 0 1 -3,-1.9 -1,-0.3 -15,-0.1 -2,-0.2 0.340 76.2 136.4 -83.5 1.0 30.9 -41.5 49.8 42 59 A Y < + 0 0 120 -3,-1.8 2,-0.3 -4,-0.1 -3,-0.0 -0.293 21.5 162.0 -55.7 135.5 32.5 -43.7 52.5 43 60 A K - 0 0 58 1,-0.0 -2,-0.0 3,-0.0 3,-0.0 -0.950 46.8-116.6-144.0 156.5 34.4 -46.8 51.3 44 61 A S S S+ 0 0 102 -2,-0.3 2,-0.4 1,-0.1 26,-0.0 0.776 103.4 29.6 -64.9 -36.4 37.0 -48.8 53.3 45 62 A R S S+ 0 0 201 2,-0.0 2,-0.4 -25,-0.0 -1,-0.1 -1.000 72.5 172.6-129.4 138.4 39.8 -48.0 50.9 46 63 A I - 0 0 6 -2,-0.4 21,-2.8 21,-0.2 2,-0.5 -0.999 21.9-151.0-146.0 133.8 40.0 -44.8 48.9 47 64 A Q E -LO 19 66C 46 -28,-2.7 -28,-2.8 -2,-0.4 2,-0.5 -0.949 19.0-145.8-106.2 124.5 42.6 -43.3 46.7 48 65 A V E -LO 18 65C 0 17,-2.8 17,-2.9 -2,-0.5 2,-0.6 -0.765 10.4-158.8 -91.5 128.8 42.6 -39.5 46.6 49 66 A R E -LO 17 64C 50 -32,-2.9 -32,-2.4 -2,-0.5 2,-0.3 -0.955 12.8-176.4-116.0 123.7 43.5 -37.9 43.3 50 67 A L E +LO 16 63C 2 13,-2.9 13,-2.4 -2,-0.6 -34,-0.1 -0.806 57.2 25.9-117.7 153.6 44.6 -34.4 43.2 51 69 A G S S+ 0 0 4 -36,-0.6 2,-0.4 48,-0.3 -1,-0.2 0.695 78.2 159.2 72.8 19.1 45.6 -31.8 40.5 52 70 A E + 0 0 12 -37,-0.3 -1,-0.2 -3,-0.3 3,-0.1 -0.708 23.6 166.0 -85.7 137.6 43.5 -33.6 37.9 53 71 A H S S+ 0 0 62 -2,-0.4 82,-1.0 1,-0.3 2,-0.6 0.746 82.8 23.6-107.4 -63.4 42.3 -31.7 34.8 54 72 A N B > -Q 134 0D 31 80,-0.2 3,-1.4 3,-0.1 -1,-0.3 -0.907 68.4-158.7-115.2 118.2 41.2 -34.9 32.8 55 73 A I T 3 S+ 0 0 33 78,-2.1 -1,-0.1 -2,-0.6 79,-0.1 0.605 89.0 56.6 -73.0 -9.7 40.3 -37.9 34.9 56 74 A D T 3 S+ 0 0 107 77,-0.2 2,-0.3 2,-0.0 -1,-0.2 0.495 103.5 57.5 -96.8 -5.0 40.8 -40.4 32.1 57 75 A V S < S- 0 0 70 -3,-1.4 2,-0.6 76,-0.2 -4,-0.1 -0.892 71.1-137.2-126.4 150.1 44.4 -39.4 31.3 58 76 A L + 0 0 118 -2,-0.3 -3,-0.1 1,-0.1 -6,-0.0 -0.958 25.2 171.5-105.6 110.7 47.6 -39.4 33.4 59 77 A E - 0 0 85 -2,-0.6 -1,-0.1 -5,-0.1 -7,-0.0 0.452 47.6-116.8 -98.4 -6.2 49.5 -36.2 32.6 60 78 A G S S+ 0 0 67 1,-0.0 -2,-0.0 0, 0.0 0, 0.0 0.296 98.3 89.3 88.0 -13.6 52.1 -36.5 35.3 61 79 A N S S+ 0 0 65 -10,-0.1 2,-0.2 2,-0.0 38,-0.1 0.180 70.7 85.1-102.1 17.2 51.0 -33.4 37.0 62 80 A E - 0 0 27 -10,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.662 67.5-137.6-107.1 168.5 48.5 -35.1 39.3 63 81 A Q E -O 50 0C 30 -13,-2.4 -13,-2.9 -2,-0.2 2,-0.5 -0.997 6.6-158.6-130.7 131.5 49.1 -36.7 42.6 64 82 A F E +O 49 0C 64 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.963 19.2 171.5-112.4 119.5 47.6 -40.0 43.8 65 83 A I E -O 48 0C 29 -17,-2.9 -17,-2.8 -2,-0.5 2,-0.1 -0.983 27.4-128.9-134.4 126.8 47.6 -40.5 47.5 66 84 A N E -O 47 0C 95 -2,-0.4 25,-2.6 -19,-0.2 2,-0.3 -0.401 29.6-109.3 -70.6 145.8 45.9 -43.2 49.5 67 85 A A E -P 90 0C 22 -21,-2.8 23,-0.2 23,-0.2 -21,-0.2 -0.551 28.9-175.1 -69.5 136.7 43.6 -42.4 52.5 68 86 A A E S+ 0 0 62 21,-3.4 2,-0.4 1,-0.4 22,-0.2 0.745 73.1 19.2-100.7 -35.0 45.1 -43.3 55.8 69 87 A K E -P 89 0C 78 20,-1.4 20,-2.8 2,-0.0 2,-0.4 -0.998 61.4-167.7-138.7 140.6 42.1 -42.4 58.0 70 88 A I E -P 88 0C 37 -2,-0.4 2,-0.6 18,-0.2 18,-0.2 -0.989 11.2-176.1-129.6 112.4 38.5 -42.0 57.0 71 89 A I E -P 87 0C 42 16,-3.1 16,-2.9 -2,-0.4 2,-0.2 -0.943 6.5-163.4-123.4 114.1 36.2 -40.4 59.7 72 90 A T E -P 86 0C 50 -2,-0.6 14,-0.2 14,-0.2 12,-0.1 -0.608 41.4 -86.9 -89.8 147.9 32.5 -40.0 59.2 73 91 A H > - 0 0 19 12,-2.0 3,-1.8 10,-0.3 -1,-0.1 -0.364 35.8-129.6 -56.3 133.5 30.5 -37.7 61.3 74 92 A P T 3 S+ 0 0 96 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.735 107.2 45.6 -61.7 -23.8 29.4 -39.6 64.5 75 93 A N T 3 S+ 0 0 114 8,-0.1 2,-0.1 2,-0.1 -2,-0.1 0.139 80.4 139.2-106.0 13.8 25.8 -38.5 64.0 76 94 A F < - 0 0 56 -3,-1.8 2,-0.6 9,-0.1 7,-0.2 -0.484 40.7-152.9 -56.8 135.7 25.6 -39.3 60.3 77 95 A N B >> -R 82 0E 67 5,-1.8 4,-2.8 -2,-0.1 5,-0.5 -0.952 5.5-161.5-117.5 105.5 22.3 -40.9 59.3 78 96 A G T 45S+ 0 0 40 -2,-0.6 -1,-0.1 1,-0.2 -2,-0.0 0.697 88.2 52.0 -62.7 -19.1 22.6 -43.1 56.3 79 97 A N T 45S+ 0 0 90 1,-0.1 -1,-0.2 153,-0.1 -3,-0.0 0.840 124.1 21.8 -90.3 -36.6 18.9 -43.0 55.6 80 98 A T T 45S- 0 0 58 -3,-0.3 -2,-0.2 2,-0.1 -1,-0.1 0.612 96.6-127.9-103.8 -14.5 18.1 -39.3 55.7 81 99 A L T ><5 + 0 0 19 -4,-2.8 3,-0.7 1,-0.3 -3,-0.2 0.674 50.4 159.0 70.6 25.4 21.7 -38.1 54.9 82 100 A D B 3 < +R 77 0E 33 -5,-0.5 -5,-1.8 1,-0.2 -1,-0.3 -0.503 67.6 17.8 -74.8 147.8 21.7 -35.7 57.9 83 101 A N T 3 S+ 0 0 19 -7,-0.2 2,-1.8 1,-0.2 -10,-0.3 0.923 81.4 176.0 58.1 43.1 25.2 -34.9 58.9 84 102 A D < + 0 0 1 -3,-0.7 2,-0.3 75,-0.2 123,-0.2 -0.564 31.3 116.2 -87.3 73.9 26.5 -36.0 55.6 85 103 A I - 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