==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-DEC-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 15-MAR-12 4AN7 . COMPND 2 MOLECULE: TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; . AUTHOR D.N.PATIL,A.CHAUDHARY,P.KUMAR . 379 5 8 7 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15897.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 233 61.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 129 34.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 1.6 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 . 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 . 38 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 15 4.0 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 . 2 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 . 14 3 5 7 3 2 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 1 0 0 0 1 0 0 1 0 0 0 1 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,-0.5 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 110.8 1.4 -24.3 -30.6 2 17 A V B 3 +A 171 0A 9 169,-2.3 169,-2.1 1,-0.2 123,-0.1 -0.793 360.0 12.7 -91.8 133.9 -1.4 -21.7 -30.7 3 18 A G T 3 S+ 0 0 35 121,-0.5 -1,-0.2 -2,-0.4 169,-0.1 0.635 103.2 118.2 79.4 16.4 -4.1 -22.2 -33.3 4 19 A G < - 0 0 30 -3,-0.5 2,-0.3 167,-0.1 134,-0.2 0.036 58.2-116.1 -97.0-159.1 -3.0 -25.8 -34.1 5 20 A Y E -B 137 0B 102 132,-2.3 132,-3.4 -3,-0.1 2,-0.5 -0.953 33.8 -93.2-141.9 157.4 -4.6 -29.3 -33.8 6 21 A T E -B 136 0B 76 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.665 50.4-124.8 -74.7 121.6 -3.8 -32.4 -31.8 7 22 A a - 0 0 2 128,-2.1 3,-0.1 -2,-0.5 128,-0.1 -0.341 26.5 -99.3 -64.6 147.8 -1.6 -34.4 -34.0 8 23 A A > - 0 0 68 1,-0.1 3,-2.2 2,-0.1 4,-0.3 -0.410 63.7 -75.0 -59.0 145.7 -2.6 -38.0 -34.8 9 24 A A T 3 S- 0 0 59 1,-0.3 -1,-0.1 2,-0.1 44,-0.1 -0.154 109.9 -12.1 -53.2 130.0 -0.6 -40.3 -32.5 10 25 A N T 3 S+ 0 0 28 42,-0.2 -1,-0.3 2,-0.1 43,-0.1 0.649 92.7 130.8 51.2 20.0 3.0 -40.8 -33.5 11 26 A S S < S+ 0 0 60 -3,-2.2 -2,-0.1 1,-0.3 -1,-0.1 0.692 73.5 49.7 -74.4 -19.6 2.3 -39.1 -36.9 12 27 A I S > S+ 0 0 10 -4,-0.3 3,-1.8 1,-0.1 -1,-0.3 -0.727 75.0 169.4-107.4 74.6 5.3 -36.8 -36.3 13 28 A P T 3 + 0 0 28 0, 0.0 88,-1.6 0, 0.0 38,-0.4 0.582 69.1 59.6 -75.1 -3.0 7.7 -39.7 -35.5 14 29 A Y T 3 S+ 0 0 24 86,-0.2 15,-2.3 88,-0.1 2,-0.3 0.541 81.2 107.3 -95.5 -10.5 10.8 -37.5 -35.6 15 30 A Q E < -K 28 0C 5 -3,-1.8 36,-0.4 13,-0.2 37,-0.4 -0.540 47.8-175.5 -74.8 132.2 9.6 -35.2 -32.8 16 31 A V E -K 27 0C 1 11,-2.1 11,-1.4 -2,-0.3 2,-0.5 -0.849 21.0-134.9-120.6 160.3 11.3 -35.5 -29.4 17 32 A S E -KL 26 49C 2 32,-1.7 32,-2.4 -2,-0.3 2,-0.6 -0.965 15.7-141.6-111.0 129.2 10.7 -33.8 -26.1 18 33 A L E -KL 25 48C 0 7,-3.4 6,-1.9 -2,-0.5 7,-1.1 -0.837 25.3-168.8 -90.6 125.5 13.8 -32.6 -24.2 19 34 A N E +KL 23 47C 15 28,-3.5 28,-3.5 -2,-0.6 4,-0.2 -0.968 30.6 166.4-129.2 122.4 13.2 -33.3 -20.5 20 37 A S S S- 0 0 57 2,-1.9 3,-0.1 -2,-0.4 -1,-0.1 -0.054 98.3 -42.1-114.7 32.5 15.3 -32.0 -17.4 21 38 A G S S+ 0 0 72 1,-0.1 2,-0.3 26,-0.1 -2,-0.1 0.054 140.3 18.0 126.0 -18.5 12.6 -33.1 -14.8 22 39 A S S S- 0 0 49 -4,-0.1 -2,-1.9 0, 0.0 -1,-0.1 -0.914 103.7 -73.2-161.9 163.0 9.7 -31.9 -17.0 23 40 A H E +K 19 0C 25 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.424 54.0 153.2 -57.0 136.3 9.4 -31.0 -20.7 24 41 A F E + 0 0 0 -6,-1.9 265,-1.9 1,-0.5 151,-0.3 0.489 60.8 10.1-139.9 -20.2 11.0 -27.7 -21.6 25 42 A b E -K 18 0C 0 -7,-1.1 -7,-3.4 263,-0.2 -1,-0.5 -0.969 63.2-124.6-155.7 163.7 11.9 -27.8 -25.4 26 43 A G E -K 17 0C 0 151,-3.1 12,-0.4 -2,-0.3 2,-0.3 -0.516 22.5-172.7-103.1 173.5 11.4 -29.9 -28.5 27 44 A G E -K 16 0C 0 -11,-1.4 -11,-2.1 -2,-0.2 2,-0.4 -0.947 19.1-122.9-156.1 171.7 14.0 -31.5 -30.9 28 45 A S E -KM 15 36C 0 8,-2.7 8,-2.5 -2,-0.3 2,-0.6 -0.989 17.3-133.3-127.4 130.5 14.2 -33.4 -34.2 29 46 A L E + M 0 35C 0 -15,-2.3 74,-2.1 -2,-0.4 6,-0.2 -0.714 29.2 168.9 -82.4 117.9 15.6 -36.8 -34.8 30 47 A I E - 0 0 19 4,-2.0 2,-0.3 -2,-0.6 75,-0.2 0.583 69.4 -2.3-108.8 -17.4 17.9 -36.6 -37.9 31 48 A N E > S- M 0 34C 50 3,-1.3 3,-0.9 70,-0.1 -1,-0.3 -0.920 90.9 -82.2-156.0 178.5 19.6 -40.0 -37.6 32 49 A S T 3 S+ 0 0 40 -2,-0.3 62,-3.0 1,-0.3 60,-0.1 0.692 126.3 26.6 -61.3 -22.7 19.5 -42.9 -35.0 33 50 A Q T 3 S+ 0 0 67 60,-0.2 57,-3.0 1,-0.1 2,-0.4 0.452 111.3 71.9-113.7 -3.8 21.9 -41.3 -32.6 34 51 A W E < -MN 31 89C 4 -3,-0.9 -4,-2.0 55,-0.2 -3,-1.3 -0.954 48.4-173.4-130.4 137.5 21.5 -37.5 -33.2 35 52 A V E -MN 29 88C 0 53,-2.7 53,-2.7 -2,-0.4 2,-0.4 -0.933 14.4-145.6-122.2 146.3 18.9 -34.9 -32.5 36 53 A V E +MN 28 87C 0 -8,-2.5 -8,-2.7 -2,-0.3 2,-0.2 -0.925 32.3 147.9-115.2 135.8 18.9 -31.3 -33.6 37 54 A S E - N 0 86C 0 49,-2.5 49,-2.1 -2,-0.4 2,-0.3 -0.750 49.5 -66.7-147.4-170.0 17.4 -28.6 -31.3 38 55 A A > - 0 0 0 -12,-0.4 3,-1.0 47,-0.3 47,-0.3 -0.707 35.0-132.1 -92.8 147.5 17.8 -24.9 -30.4 39 56 A A G > S+ 0 0 2 -2,-0.3 3,-1.2 1,-0.2 -1,-0.1 0.753 105.4 61.9 -72.5 -23.6 20.9 -23.7 -28.7 40 57 A H G 3 S+ 0 0 14 1,-0.3 -1,-0.2 44,-0.1 254,-0.1 0.574 92.0 68.7 -79.2 -10.2 19.0 -21.7 -26.0 41 58 A b G < S+ 0 0 0 -3,-1.0 -1,-0.3 -15,-0.1 2,-0.2 0.219 78.4 135.2 -77.2 10.9 17.5 -25.1 -25.0 42 59 A Y < + 0 0 114 -3,-1.2 2,-0.3 2,-0.0 -3,-0.1 -0.448 23.1 158.2 -68.9 131.0 21.1 -25.9 -23.8 43 60 A K - 0 0 18 -2,-0.2 3,-0.1 1,-0.0 -2,-0.0 -0.971 48.8-125.2-141.4 160.5 21.5 -27.6 -20.4 44 61 A S S S+ 0 0 91 -2,-0.3 2,-0.4 1,-0.2 -2,-0.0 0.719 104.6 40.5 -71.4 -20.9 24.2 -29.7 -18.8 45 62 A R S S+ 0 0 197 2,-0.0 2,-0.4 -25,-0.0 -1,-0.2 -0.974 70.7 159.9-134.7 114.0 21.6 -32.4 -18.2 46 63 A I - 0 0 8 -2,-0.4 21,-2.6 21,-0.2 2,-0.5 -0.998 23.7-158.4-135.0 134.1 19.0 -33.4 -20.7 47 64 A Q E -LO 19 66C 49 -28,-3.5 -28,-3.5 -2,-0.4 2,-0.4 -0.976 17.1-146.8-107.5 130.0 16.9 -36.5 -21.2 48 65 A V E -LO 18 65C 0 17,-2.4 17,-2.7 -2,-0.5 2,-0.6 -0.820 8.4-160.2 -98.5 131.8 15.5 -37.0 -24.7 49 66 A R E -LO 17 64C 44 -32,-2.4 -32,-1.7 -2,-0.4 3,-0.3 -0.936 11.0-176.4-119.8 111.2 12.1 -38.7 -25.0 50 67 A L E + O 0 63C 2 13,-3.1 13,-1.9 -2,-0.6 -34,-0.1 -0.529 61.6 34.7-103.4 159.1 11.2 -40.3 -28.4 51 69 A G S S+ 0 0 6 48,-0.4 10,-0.3 -36,-0.4 2,-0.2 0.624 84.0 150.9 81.8 2.5 7.8 -42.0 -29.4 52 70 A E + 0 0 10 -37,-0.4 -1,-0.2 -3,-0.3 -42,-0.2 -0.511 21.5 148.4 -84.1 145.5 5.8 -39.6 -27.3 53 71 A H S S+ 0 0 18 4,-0.2 82,-1.1 1,-0.2 2,-0.8 0.338 81.1 34.6-128.8 -67.9 2.4 -38.5 -27.9 54 72 A N B > S-Q 134 0D 24 80,-0.2 3,-1.3 3,-0.2 80,-0.2 -0.808 72.1-165.2 -88.4 107.4 0.9 -37.9 -24.4 55 73 A I T 3 S+ 0 0 28 78,-2.8 -1,-0.1 -2,-0.8 79,-0.1 0.571 84.3 49.7 -74.0 -7.4 3.9 -36.6 -22.4 56 74 A D T 3 S+ 0 0 112 77,-0.2 2,-0.4 1,-0.1 -1,-0.3 0.363 106.6 59.6-107.8 1.7 2.3 -37.2 -19.0 57 75 A V S < S- 0 0 75 -3,-1.3 2,-0.8 76,-0.2 -4,-0.2 -0.998 78.6-128.1-134.5 132.2 1.1 -40.8 -19.6 58 76 A L + 0 0 137 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.0 -0.721 34.8 167.5 -78.9 111.6 3.2 -43.8 -20.4 59 77 A E - 0 0 104 -2,-0.8 -1,-0.2 -5,-0.2 -7,-0.0 0.587 51.9-103.5-105.5 -15.4 1.5 -45.3 -23.5 60 78 A G S S+ 0 0 61 -9,-0.0 -2,-0.1 0, 0.0 -8,-0.1 0.382 101.2 80.3 113.9 -1.6 4.1 -47.8 -24.6 61 79 A N + 0 0 55 -10,-0.3 2,-0.1 38,-0.0 -9,-0.1 0.365 66.5 119.8-111.5 9.4 5.9 -46.4 -27.7 62 80 A E - 0 0 37 -11,-0.1 2,-0.4 -13,-0.0 -11,-0.2 -0.386 41.5-169.7 -74.3 143.2 8.3 -44.2 -25.6 63 81 A Q E -O 50 0C 35 -13,-1.9 -13,-3.1 -2,-0.1 2,-0.6 -0.986 7.5-162.2-129.0 124.5 12.1 -44.5 -25.6 64 82 A F E +O 49 0C 83 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.941 17.9 169.5-107.9 118.6 13.8 -42.4 -22.9 65 83 A I E -O 48 0C 13 -17,-2.7 -17,-2.4 -2,-0.6 -2,-0.1 -0.996 31.3-122.5-138.6 127.2 17.5 -41.9 -23.7 66 84 A N E -O 47 0C 90 -2,-0.4 25,-2.2 -19,-0.2 2,-0.3 -0.355 30.8-109.2 -69.5 145.2 19.9 -39.5 -21.9 67 85 A A E +P 90 0C 19 -21,-2.6 -21,-0.2 23,-0.2 23,-0.2 -0.600 36.3 178.0 -66.8 133.0 21.8 -36.9 -23.9 68 86 A A E + 0 0 60 21,-3.2 2,-0.4 1,-0.4 22,-0.2 0.824 67.6 31.3-100.9 -62.9 25.4 -37.8 -24.1 69 87 A K E -P 89 0C 82 20,-1.4 20,-2.2 154,-0.1 2,-0.4 -0.835 64.3-175.0-100.6 137.2 27.0 -35.0 -26.3 70 88 A I E +P 88 0C 33 -2,-0.4 2,-0.6 18,-0.2 18,-0.2 -0.878 10.8 173.8-137.9 99.1 25.5 -31.6 -26.1 71 89 A I E -P 87 0C 50 16,-2.8 16,-2.4 -2,-0.4 2,-0.2 -0.925 14.9-162.0-125.2 110.5 27.0 -29.2 -28.6 72 90 A T E -P 86 0C 47 -2,-0.6 14,-0.2 14,-0.2 12,-0.1 -0.566 43.5 -87.5 -80.9 152.0 25.9 -25.7 -29.3 73 91 A H > - 0 0 19 12,-2.2 3,-1.9 10,-0.2 -1,-0.1 -0.378 38.0-126.4 -56.6 135.7 26.9 -23.9 -32.5 74 92 A P T 3 S+ 0 0 99 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.711 108.5 46.8 -61.7 -22.6 30.3 -22.2 -31.7 75 93 A N T 3 S+ 0 0 110 8,-0.1 -2,-0.1 2,-0.1 7,-0.1 0.138 79.0 138.0-106.5 14.3 28.9 -18.8 -32.9 76 94 A F < - 0 0 56 -3,-1.9 2,-0.5 9,-0.1 7,-0.2 -0.390 38.5-158.1 -56.2 135.1 25.7 -19.0 -31.1 77 95 A N > - 0 0 70 5,-2.0 4,-2.2 1,-0.1 5,-0.5 -0.983 7.2-160.8-118.3 119.9 24.8 -15.6 -29.5 78 96 A G T 4 S+ 0 0 30 -2,-0.5 218,-0.3 2,-0.2 -1,-0.1 0.735 89.4 49.9 -73.2 -26.2 22.4 -15.8 -26.6 79 97 A N T 4 S+ 0 0 63 1,-0.1 -1,-0.2 216,-0.1 217,-0.1 0.949 125.5 24.8 -74.6 -53.0 21.4 -12.1 -26.7 80 98 A T T 4 S- 0 0 55 2,-0.1 -2,-0.2 3,-0.0 77,-0.1 0.671 96.5-134.1 -85.5 -18.2 20.6 -12.0 -30.5 81 99 A L >< + 0 0 8 -4,-2.2 3,-0.5 1,-0.2 2,-0.2 0.726 46.1 161.6 66.1 24.0 19.8 -15.7 -30.9 82 100 A D T 3 + 0 0 35 -5,-0.5 -5,-2.0 1,-0.2 -1,-0.2 -0.507 64.4 14.8 -70.4 145.7 21.9 -15.8 -34.0 83 101 A N T 3 S+ 0 0 18 -7,-0.2 2,-1.4 1,-0.2 -10,-0.2 0.970 80.4 179.8 48.3 61.7 23.0 -19.4 -34.9 84 102 A D < + 0 0 0 -3,-0.5 2,-0.3 75,-0.2 123,-0.2 -0.530 31.9 118.1 -94.1 70.2 20.4 -20.9 -32.6 85 103 A I - 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