==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 03-AUG-99 1C9P . COMPND 2 MOLECULE: TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; . AUTHOR U.RESTER . 273 3 11 10 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11878.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 169 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 . 86 31.5 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 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.5 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 . 27 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 15 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 5 3 3 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 . 2 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 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 3,-0.6 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 110.6 8.4 36.6 58.6 2 17 A V B 3 +A 172 0A 10 170,-3.2 170,-1.6 1,-0.2 124,-0.1 -0.745 360.0 7.3 -91.4 129.6 8.2 34.0 61.4 3 18 A G T 3 S+ 0 0 46 -2,-0.4 -1,-0.2 122,-0.4 2,-0.1 0.856 102.0 118.9 71.8 35.2 5.9 31.1 60.8 4 19 A G < - 0 0 30 -3,-0.6 2,-0.3 135,-0.1 135,-0.2 -0.312 56.1-118.0-113.8-161.0 5.0 31.9 57.2 5 20 A Y E -B 138 0B 105 133,-2.4 133,-3.4 -2,-0.1 2,-0.4 -0.945 37.2 -85.3-139.9 160.0 5.4 30.3 53.8 6 21 A T E -B 137 0B 70 -2,-0.3 131,-0.2 131,-0.2 130,-0.1 -0.536 50.8-120.2 -69.8 120.7 7.2 31.1 50.6 7 22 A a - 0 0 3 129,-2.2 -1,-0.1 -2,-0.4 129,-0.1 -0.245 31.0-106.3 -58.7 148.7 4.9 33.4 48.6 8 23 A A > - 0 0 67 1,-0.0 3,-0.9 -3,-0.0 4,-0.4 -0.124 41.4 -89.2 -68.6 175.5 4.0 32.1 45.1 9 24 A A T 3 S+ 0 0 70 1,-0.2 3,-0.3 2,-0.1 -2,-0.1 0.946 117.8 16.4 -52.8 -65.8 5.5 33.6 42.0 10 25 A N T 3 S+ 0 0 82 1,-0.2 -1,-0.2 91,-0.0 -2,-0.0 -0.187 95.5 106.0-107.0 42.8 3.2 36.5 41.1 11 26 A S S < S+ 0 0 49 -3,-0.9 -1,-0.2 1,-0.2 -2,-0.1 0.774 83.2 32.9 -91.7 -27.6 1.3 36.8 44.4 12 27 A I > + 0 0 15 -4,-0.4 3,-1.0 -3,-0.3 -1,-0.2 -0.590 62.2 156.1-131.9 73.3 2.9 40.0 45.8 13 28 A P T 3 S+ 0 0 27 0, 0.0 89,-0.8 0, 0.0 38,-0.4 0.775 71.6 60.4 -66.1 -31.6 3.7 42.4 42.9 14 29 A Y T 3 S+ 0 0 22 87,-0.2 15,-2.1 89,-0.2 90,-0.2 0.541 79.5 109.2 -76.5 -10.2 3.6 45.6 45.0 15 30 A Q E < -K 28 0C 7 -3,-1.0 36,-0.5 13,-0.2 37,-0.4 -0.450 46.8-177.8 -70.7 138.6 6.4 44.4 47.4 16 31 A V E -KL 27 50C 1 11,-1.7 11,-1.2 -2,-0.1 2,-0.5 -0.902 21.4-130.5-134.7 164.1 9.8 46.3 47.1 17 32 A S E -KL 26 49C 1 32,-2.2 32,-2.1 -2,-0.3 2,-0.5 -0.969 11.2-146.0-121.5 123.8 13.2 46.1 48.7 18 33 A L E -KL 25 48C 0 7,-3.1 6,-2.3 -2,-0.5 7,-1.1 -0.775 24.7-171.1 -88.7 126.9 15.0 49.0 50.1 19 34 A N E +KL 23 47C 15 28,-2.5 28,-2.6 -2,-0.5 4,-0.2 -0.947 29.7 163.9-123.9 139.4 18.8 48.6 49.5 20 37 A S S S- 0 0 45 2,-1.7 3,-0.1 -2,-0.4 26,-0.0 -0.324 99.5 -35.4-146.2 49.3 21.7 50.6 50.8 21 38 A G S S+ 0 0 72 26,-0.1 2,-0.3 0, 0.0 -2,-0.1 -0.290 140.2 4.3 120.8 -38.9 24.4 48.1 50.1 22 39 A S S S- 0 0 60 -4,-0.1 -2,-1.7 0, 0.0 2,-0.2 -0.948 103.9 -58.2-161.8 170.7 22.1 45.3 50.9 23 40 A H E +K 19 0C 20 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.408 56.1 151.6 -61.9 126.5 18.4 44.7 51.9 24 41 A F E + 0 0 4 -6,-2.3 228,-1.9 1,-0.4 2,-0.3 0.525 62.3 8.7-130.3 -18.7 17.5 46.6 55.0 25 42 A b E -K 18 0C 0 -7,-1.1 -7,-3.1 226,-0.2 -1,-0.4 -0.982 62.7-127.7-157.6 163.6 13.8 47.3 54.7 26 43 A G E +K 17 0C 2 152,-4.3 12,-0.4 -2,-0.3 2,-0.3 -0.473 25.4 177.6-106.8-179.2 10.7 46.5 52.7 27 44 A G E -K 16 0C 0 -11,-1.2 -11,-1.7 -2,-0.2 2,-0.4 -0.968 23.4-111.8-168.3 179.5 8.2 48.8 51.0 28 45 A S E -KM 15 36C 1 8,-2.2 8,-2.5 -2,-0.3 2,-0.7 -0.990 14.9-138.5-132.5 139.2 5.1 49.1 48.8 29 46 A L E + M 0 35C 1 -15,-2.1 75,-1.7 -2,-0.4 6,-0.2 -0.863 29.4 163.9 -94.7 117.6 4.6 50.5 45.3 30 47 A I E S+ 0 0 20 4,-1.6 2,-0.3 -2,-0.7 5,-0.1 0.466 70.1 11.9-110.0 -8.8 1.3 52.5 45.4 31 48 A N E > S- M 0 34C 52 3,-1.2 3,-1.4 71,-0.1 -1,-0.4 -0.964 88.6 -93.9-164.6 152.6 2.1 54.3 42.1 32 49 A S T 3 S+ 0 0 40 -2,-0.3 62,-3.1 1,-0.3 60,-0.1 0.592 125.6 26.0 -48.7 -13.1 4.5 54.0 39.2 33 50 A Q T 3 S+ 0 0 54 60,-0.2 57,-2.8 1,-0.1 2,-0.4 0.441 111.2 70.1-131.6 -1.6 6.7 56.6 41.0 34 51 A W E < -MN 31 89C 6 -3,-1.4 -4,-1.6 55,-0.2 -3,-1.2 -0.943 48.3-173.6-126.3 145.3 6.0 56.3 44.7 35 52 A V E -MN 29 88C 0 53,-2.3 53,-2.4 -2,-0.4 2,-0.4 -0.954 15.5-142.9-129.3 147.5 6.8 53.8 47.4 36 53 A V E +MN 28 87C 1 -8,-2.5 -8,-2.2 -2,-0.3 2,-0.3 -0.894 31.3 150.0-112.5 144.9 5.6 53.7 51.0 37 54 A S E - N 0 86C 0 49,-2.2 49,-2.8 -2,-0.4 2,-0.2 -0.894 50.2 -73.7-156.4 180.0 7.8 52.5 53.8 38 55 A A > - 0 0 0 -12,-0.4 3,-1.1 -2,-0.3 47,-0.2 -0.577 37.1-128.6 -83.4 152.0 8.4 53.1 57.5 39 56 A A G > S+ 0 0 3 1,-0.2 3,-2.2 -2,-0.2 -1,-0.1 0.816 104.9 67.2 -71.1 -28.8 10.2 56.4 58.5 40 57 A H G 3 S+ 0 0 28 1,-0.3 -1,-0.2 41,-0.1 209,-0.1 0.450 91.1 65.3 -72.6 5.2 12.7 54.6 60.6 41 58 A b G < S+ 0 0 2 -3,-1.1 -1,-0.3 2,-0.0 -2,-0.2 0.402 77.0 134.3 -99.9 -4.4 14.0 53.0 57.4 42 59 A Y < + 0 0 119 -3,-2.2 2,-0.3 -4,-0.1 -3,-0.1 -0.222 23.3 162.5 -54.3 127.5 15.1 56.5 56.2 43 60 A K - 0 0 58 1,-0.0 3,-0.1 -2,-0.0 -2,-0.0 -0.975 45.6-124.6-142.8 147.8 18.5 56.9 54.7 44 61 A S S S+ 0 0 77 -2,-0.3 2,-0.5 1,-0.2 -1,-0.0 0.750 104.0 44.9 -66.0 -23.8 19.9 59.7 52.6 45 62 A R S S+ 0 0 175 2,-0.0 2,-0.4 -25,-0.0 -1,-0.2 -0.967 71.7 162.2-126.1 117.6 20.8 57.2 49.9 46 63 A I - 0 0 9 -2,-0.5 21,-3.0 21,-0.2 2,-0.5 -0.994 22.3-161.2-139.2 132.3 18.3 54.5 48.9 47 64 A Q E -LO 19 66C 51 -28,-2.6 -28,-2.5 -2,-0.4 2,-0.4 -0.941 18.0-144.5-109.2 127.9 18.1 52.2 45.9 48 65 A V E -LO 18 65C 0 17,-4.0 17,-2.8 -2,-0.5 2,-0.5 -0.793 8.8-159.7 -95.8 133.7 14.7 50.7 45.3 49 66 A R E -LO 17 64C 52 -32,-2.1 -32,-2.2 -2,-0.4 2,-0.3 -0.962 13.6-173.3-112.4 121.7 14.6 47.1 43.9 50 67 A L E +LO 16 63C 1 13,-3.2 13,-1.6 -2,-0.5 -34,-0.1 -0.757 57.3 31.6-114.1 162.4 11.3 46.1 42.3 51 69 A G S S+ 0 0 11 -36,-0.5 2,-0.3 -38,-0.4 10,-0.2 0.886 79.0 157.3 63.3 42.0 10.1 42.8 40.9 52 70 A E + 0 0 23 -37,-0.4 -1,-0.2 -3,-0.2 3,-0.1 -0.772 21.5 150.9-102.2 142.6 12.0 40.6 43.3 53 71 A H S S+ 0 0 39 -2,-0.3 83,-1.9 4,-0.3 2,-0.7 0.498 82.9 29.7-126.1 -61.2 11.2 37.1 44.4 54 72 A N B > -Q 135 0D 24 3,-0.3 3,-1.1 81,-0.2 5,-0.2 -0.897 69.3-163.8-104.7 102.8 14.7 35.6 45.2 55 73 A I T 3 S+ 0 0 37 79,-2.3 -1,-0.1 -2,-0.7 80,-0.1 0.541 88.5 51.7 -65.5 -4.7 16.8 38.6 46.5 56 74 A D T 3 S+ 0 0 114 78,-0.3 2,-0.4 1,-0.1 -1,-0.2 0.597 104.5 58.9-105.8 -14.8 19.9 36.4 45.9 57 75 A V S < S- 0 0 77 -3,-1.1 2,-1.2 77,-0.2 -3,-0.3 -0.953 77.9-130.8-120.0 136.2 19.4 35.4 42.4 58 76 A L + 0 0 137 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.0 -0.701 29.8 175.0 -84.9 95.7 18.9 37.6 39.3 59 77 A E - 0 0 92 -2,-1.2 -1,-0.2 -5,-0.2 -7,-0.0 0.450 48.3-110.9 -83.2 -1.7 15.8 36.1 37.8 60 78 A G S S+ 0 0 68 -3,-0.0 -2,-0.1 1,-0.0 -1,-0.0 0.217 99.9 86.1 94.6 -15.5 15.5 38.8 35.1 61 79 A N + 0 0 66 -10,-0.2 -9,-0.1 2,-0.0 -3,-0.1 0.666 63.0 114.5 -91.1 -18.9 12.3 40.6 36.3 62 80 A E - 0 0 28 -13,-0.0 2,-0.3 1,-0.0 -11,-0.2 0.047 45.3-163.1 -54.0 159.4 14.0 43.0 38.7 63 81 A Q E -O 50 0C 43 -13,-1.6 -13,-3.2 2,-0.1 2,-0.7 -0.952 4.6-157.4-146.2 120.0 14.2 46.8 38.3 64 82 A F E +O 49 0C 84 -2,-0.3 2,-0.4 -15,-0.2 -15,-0.2 -0.897 21.8 165.8-107.1 111.1 16.7 48.9 40.2 65 83 A I E -O 48 0C 16 -17,-2.8 -17,-4.0 -2,-0.7 2,-0.3 -0.959 28.2-128.3-124.1 141.5 15.6 52.5 40.6 66 84 A N E -O 47 0C 84 -2,-0.4 25,-2.6 -19,-0.3 26,-0.3 -0.633 27.3-103.3 -92.8 147.8 17.1 55.1 43.0 67 85 A A E +P 90 0C 22 -21,-3.0 23,-0.2 -2,-0.3 -21,-0.2 -0.444 34.4 176.0 -67.8 131.9 15.2 57.3 45.4 68 86 A A E S+ 0 0 60 21,-3.8 2,-0.5 1,-0.4 22,-0.2 0.824 73.7 27.0 -99.3 -55.8 14.8 60.9 44.2 69 87 A K E -P 89 0C 79 20,-1.2 20,-2.7 2,-0.0 2,-0.6 -0.939 64.1-171.4-113.3 129.4 12.6 62.3 47.0 70 88 A I E +P 88 0C 35 -2,-0.5 2,-0.6 18,-0.2 18,-0.2 -0.883 13.1 176.5-122.4 97.8 12.7 60.8 50.5 71 89 A I E -P 87 0C 44 16,-3.0 16,-2.9 -2,-0.6 2,-0.3 -0.874 9.8-168.6-111.0 108.6 10.0 62.3 52.6 72 90 A T E -P 86 0C 48 -2,-0.6 14,-0.2 14,-0.2 12,-0.1 -0.643 43.7 -82.1 -90.2 151.0 9.4 61.1 56.2 73 91 A H > - 0 0 23 12,-1.8 3,-1.8 10,-0.3 -1,-0.1 -0.171 35.3-126.1 -52.9 138.1 6.2 62.2 58.0 74 92 A P T 3 S+ 0 0 97 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.812 109.1 40.9 -54.5 -36.2 6.4 65.7 59.6 75 93 A N T 3 S+ 0 0 113 8,-0.1 -2,-0.1 2,-0.1 7,-0.1 0.082 79.8 145.5-105.1 24.9 5.4 64.4 63.0 76 94 A F < - 0 0 59 -3,-1.8 2,-0.6 9,-0.1 7,-0.2 -0.406 36.9-152.5 -61.8 134.9 7.5 61.3 63.0 77 95 A N B >> -R 82 0E 64 5,-2.0 4,-2.6 1,-0.1 5,-0.7 -0.932 8.5-163.2-116.8 108.1 8.7 60.6 66.5 78 96 A G T 45S+ 0 0 49 -2,-0.6 190,-0.1 1,-0.2 -1,-0.1 0.683 88.7 49.3 -62.7 -20.6 12.0 58.6 66.6 79 97 A N T 45S+ 0 0 161 1,-0.1 -1,-0.2 188,-0.1 188,-0.1 0.741 125.3 25.0 -90.5 -27.5 11.6 57.6 70.3 80 98 A T T 45S- 0 0 71 -3,-0.5 -2,-0.2 2,-0.1 78,-0.1 0.526 94.8-131.8-111.6 -12.8 8.0 56.3 70.1 81 99 A L T ><5 + 0 0 17 -4,-2.6 3,-0.6 1,-0.2 2,-0.3 0.827 50.0 159.8 61.7 32.5 7.9 55.4 66.4 82 100 A D B 3 < +R 77 0E 33 -5,-0.7 -5,-2.0 1,-0.3 -1,-0.2 -0.637 62.3 19.2 -84.7 144.9 4.7 57.3 66.2 83 101 A N T 3 S+ 0 0 18 -2,-0.3 2,-1.8 1,-0.2 -10,-0.3 0.921 82.1 176.9 61.6 43.5 3.7 58.4 62.7 84 102 A D < + 0 0 0 -3,-0.6 2,-0.3 76,-0.3 -1,-0.2 -0.556 29.4 116.4 -85.2 79.9 6.1 55.8 61.3 85 103 A I - 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