==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HORMONE/GROWTH FACTOR 30-DEC-04 1YF4 . COMPND 2 MOLECULE: TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; . AUTHOR B.SYED IBRAHIM,V.PATTABHI . 232 2 7 7 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9474.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 143 61.6 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 . 76 32.8 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 . 4 1.7 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 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 15 6.5 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 . 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 . 4 2 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 . 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 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 0.000 360.0 360.0 360.0 116.9 -11.8 28.0 -14.6 2 17 A V B +A 171 0A 13 169,-3.0 169,-1.9 1,-0.2 123,-0.1 -0.816 360.0 6.2 -97.8 133.7 -13.6 25.2 -12.6 3 18 A G S S+ 0 0 45 121,-0.6 -1,-0.2 -2,-0.4 2,-0.1 0.756 101.9 118.6 71.9 25.3 -15.0 22.2 -14.4 4 19 A G - 0 0 28 -3,-0.5 2,-0.3 167,-0.1 134,-0.2 -0.169 58.1-113.7-104.0-159.7 -13.5 23.2 -17.8 5 20 A Y E -B 137 0B 92 132,-2.4 132,-3.7 -2,-0.1 2,-0.4 -0.935 34.4 -88.1-137.0 160.7 -11.0 21.5 -20.1 6 21 A T E -B 136 0B 77 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.561 51.6-121.4 -70.6 124.2 -7.5 22.2 -21.3 7 22 A a - 0 0 3 128,-2.3 3,-0.1 -2,-0.4 -1,-0.1 -0.300 31.4 -94.4 -64.4 150.7 -7.8 24.4 -24.4 8 23 A A > - 0 0 66 1,-0.2 3,-1.5 3,-0.1 4,-0.2 -0.407 63.1 -76.5 -64.4 141.7 -6.3 23.1 -27.6 9 24 A A T 3 S- 0 0 52 1,-0.3 -1,-0.2 2,-0.1 44,-0.1 -0.124 111.4 -14.8 -44.9 119.5 -2.8 24.5 -28.1 10 25 A N T 3 S+ 0 0 24 -3,-0.1 -1,-0.3 1,-0.1 43,-0.1 0.906 91.2 133.8 45.7 55.6 -3.1 28.1 -29.2 11 26 A S S < S+ 0 0 60 -3,-1.5 -1,-0.1 1,-0.2 -2,-0.1 0.227 72.9 52.5-109.5 4.5 -6.9 27.8 -30.1 12 27 A I > + 0 0 8 -4,-0.2 3,-1.6 87,-0.1 -1,-0.2 -0.581 67.1 163.8-137.1 66.2 -7.5 31.0 -28.2 13 28 A P T 3 S+ 0 0 30 0, 0.0 88,-1.4 0, 0.0 38,-0.3 0.576 70.3 61.3 -64.5 -12.4 -4.9 33.3 -29.9 14 29 A Y T 3 S+ 0 0 27 86,-0.2 15,-2.5 88,-0.1 2,-0.2 0.474 80.5 107.7 -93.4 -4.1 -6.6 36.5 -28.6 15 30 A Q E < -K 28 0C 3 -3,-1.6 36,-0.5 13,-0.2 37,-0.4 -0.533 48.1-173.4 -77.6 137.9 -6.1 35.5 -24.9 16 31 A V E -KL 27 50C 0 11,-2.2 11,-1.1 -2,-0.2 2,-0.5 -0.908 18.4-139.8-129.6 158.0 -3.5 37.4 -22.9 17 32 A S E -KL 26 49C 2 32,-2.1 32,-2.7 -2,-0.3 2,-0.5 -0.978 14.2-143.0-117.7 127.3 -2.0 37.1 -19.5 18 33 A L E -KL 25 48C 0 7,-3.0 6,-2.1 -2,-0.5 7,-1.0 -0.806 26.2-168.4 -89.7 127.2 -1.3 40.2 -17.4 19 34 A N E +KL 23 47C 14 28,-3.3 28,-3.2 -2,-0.5 4,-0.2 -0.944 31.8 160.3-124.5 140.3 1.9 39.8 -15.5 20 37 A S S S- 0 0 46 2,-1.6 3,-0.1 -2,-0.4 -1,-0.0 -0.339 98.3 -35.7-148.8 54.2 3.5 41.7 -12.6 21 38 A G S S+ 0 0 75 26,-0.1 2,-0.3 0, 0.0 -2,-0.1 -0.191 139.9 7.4 114.5 -35.1 5.9 39.1 -11.2 22 39 A S S S- 0 0 75 -4,-0.1 -2,-1.6 0, 0.0 2,-0.1 -0.963 101.8 -65.5-164.6 165.6 3.3 36.4 -11.9 23 40 A H E +K 19 0C 36 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.369 53.5 155.4 -60.0 132.4 -0.0 36.0 -13.7 24 41 A F E + 0 0 30 -6,-2.1 2,-0.3 1,-0.5 151,-0.2 0.512 60.6 7.5-134.7 -16.1 -2.8 37.9 -11.9 25 42 A b E -K 18 0C 2 -7,-1.0 -7,-3.0 208,-0.2 -1,-0.5 -0.985 61.9-127.0-160.8 163.4 -5.4 38.6 -14.6 26 43 A G E +K 17 0C 2 151,-3.3 12,-0.4 -2,-0.3 2,-0.3 -0.450 26.3 168.8-105.8-177.2 -6.4 37.7 -18.1 27 44 A G E -K 16 0C 0 -11,-1.1 -11,-2.2 -2,-0.2 2,-0.3 -0.956 24.3-117.0-175.4-179.8 -7.3 40.0 -21.0 28 45 A S E -KM 15 36C 1 8,-2.0 8,-2.5 -2,-0.3 2,-0.6 -1.000 18.0-122.2-144.0 143.1 -7.9 39.9 -24.8 29 46 A L E + M 0 35C 0 -15,-2.5 74,-2.3 -2,-0.3 6,-0.2 -0.723 28.2 171.1 -84.3 119.3 -6.3 41.4 -27.8 30 47 A I E S- 0 0 22 4,-1.9 2,-0.3 -2,-0.6 75,-0.2 0.512 71.0 -8.1-104.2 -10.4 -8.7 43.5 -29.8 31 48 A N E > S- M 0 34C 42 3,-1.0 3,-0.9 70,-0.1 -1,-0.3 -0.940 89.7 -77.0-171.9 168.9 -6.1 45.0 -32.2 32 49 A S T 3 S+ 0 0 48 -2,-0.3 62,-3.2 1,-0.2 60,-0.1 0.668 126.8 25.5 -51.5 -23.0 -2.3 45.1 -32.7 33 50 A Q T 3 S+ 0 0 58 60,-0.2 57,-2.6 1,-0.1 2,-0.4 0.462 109.7 72.1-123.8 -1.4 -1.8 47.6 -29.9 34 51 A W E < -MN 31 89C 8 -3,-0.9 -4,-1.9 55,-0.2 -3,-1.0 -0.954 48.1-170.2-127.8 141.2 -4.7 47.4 -27.5 35 52 A V E -MN 29 88C 0 53,-2.7 53,-2.8 -2,-0.4 2,-0.4 -0.940 12.7-148.2-121.9 141.4 -5.9 44.9 -24.9 36 53 A V E +MN 28 87C 0 -8,-2.5 -8,-2.0 -2,-0.4 2,-0.2 -0.916 32.7 144.1-110.1 137.4 -9.2 44.9 -23.1 37 54 A S E - N 0 86C 0 49,-2.7 49,-2.3 -2,-0.4 2,-0.3 -0.746 50.4 -62.0-148.9-163.8 -9.4 43.6 -19.5 38 55 A A > - 0 0 0 -12,-0.4 3,-1.3 47,-0.3 47,-0.3 -0.743 32.8-136.9 -95.3 141.1 -11.2 44.2 -16.2 39 56 A A G > S+ 0 0 2 -2,-0.3 3,-1.9 1,-0.3 -1,-0.1 0.841 104.3 62.4 -65.2 -32.5 -10.8 47.5 -14.3 40 57 A H G 3 S+ 0 0 43 1,-0.3 -1,-0.3 41,-0.1 193,-0.1 0.631 91.7 69.0 -70.3 -6.2 -10.4 45.7 -11.0 41 58 A b G < S+ 0 0 4 -3,-1.3 -1,-0.3 192,-0.1 -2,-0.2 0.305 75.2 139.3 -89.5 8.7 -7.3 44.2 -12.5 42 59 A Y < + 0 0 125 -3,-1.9 2,-0.3 2,-0.0 -3,-0.0 -0.240 19.5 159.9 -59.3 140.9 -5.6 47.6 -12.4 43 60 A K - 0 0 89 1,-0.0 3,-0.1 3,-0.0 -2,-0.0 -0.954 45.3-126.4-156.2 147.9 -2.0 47.9 -11.4 44 61 A S S S+ 0 0 110 -2,-0.3 2,-0.4 1,-0.2 -2,-0.0 0.690 101.6 45.5 -73.4 -17.8 0.6 50.6 -12.1 45 62 A R S S+ 0 0 111 2,-0.0 2,-0.4 -25,-0.0 -1,-0.2 -0.984 70.8 164.7-130.5 118.9 3.0 48.1 -13.6 46 63 A I - 0 0 1 -2,-0.4 21,-2.6 21,-0.2 2,-0.5 -0.983 21.7-164.4-142.1 129.2 1.8 45.5 -16.1 47 64 A Q E -LO 19 66C 37 -28,-3.2 -28,-3.3 -2,-0.4 2,-0.5 -0.952 20.6-144.8-109.3 124.6 3.6 43.2 -18.6 48 65 A V E -LO 18 65C 0 17,-3.0 17,-2.7 -2,-0.5 2,-0.6 -0.779 9.1-157.3 -92.6 130.1 1.3 41.8 -21.2 49 66 A R E -LO 17 64C 53 -32,-2.7 -32,-2.1 -2,-0.5 3,-0.3 -0.940 12.7-174.3-112.5 118.9 2.1 38.2 -22.3 50 67 A L E +LO 16 63C 2 13,-3.0 13,-1.9 -2,-0.6 -34,-0.1 -0.743 61.6 29.6-109.5 157.6 0.7 37.1 -25.7 51 69 A G S S+ 0 0 3 -36,-0.5 2,-0.3 -38,-0.3 10,-0.2 0.803 82.6 158.1 66.2 29.9 0.8 33.8 -27.4 52 70 A E + 0 0 10 -37,-0.4 -1,-0.2 -3,-0.3 3,-0.1 -0.634 19.4 149.7 -89.9 142.4 0.7 32.0 -24.1 53 71 A H S S+ 0 0 21 -2,-0.3 82,-2.0 1,-0.3 2,-0.8 0.490 80.7 28.8-128.7 -61.7 -0.5 28.4 -23.6 54 72 A N B > S-Q 134 0D 28 3,-0.3 3,-1.4 80,-0.2 80,-0.3 -0.905 72.7-161.7-103.7 103.4 1.5 27.0 -20.7 55 73 A I T 3 S+ 0 0 31 78,-2.6 79,-0.1 -2,-0.8 -1,-0.1 0.540 85.1 54.7 -66.7 -4.6 2.2 30.1 -18.5 56 74 A D T 3 S+ 0 0 116 77,-0.3 2,-0.4 1,-0.1 -1,-0.2 0.507 103.1 57.6-104.8 -5.3 5.1 28.4 -16.6 57 75 A V S < S- 0 0 80 -3,-1.4 2,-0.7 76,-0.2 -3,-0.3 -0.981 79.0-125.7-131.9 126.1 7.2 27.3 -19.6 58 76 A L + 0 0 137 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.0 -0.546 33.8 173.2 -68.3 112.1 8.8 29.3 -22.4 59 77 A E - 0 0 80 -2,-0.7 -1,-0.2 -5,-0.1 -7,-0.0 0.718 47.4-108.5 -94.2 -26.5 7.4 27.6 -25.5 60 78 A G S S+ 0 0 61 -9,-0.1 -2,-0.1 0, 0.0 -9,-0.0 0.253 101.5 80.8 117.6 -13.7 8.6 29.9 -28.2 61 79 A N + 0 0 69 -10,-0.2 -9,-0.1 38,-0.0 38,-0.1 0.446 66.8 116.6-101.8 -2.5 5.5 31.6 -29.4 62 80 A E - 0 0 35 -13,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.331 43.1-167.7 -73.4 147.9 5.3 34.2 -26.6 63 81 A Q E -O 50 0C 34 -13,-1.9 -13,-3.0 -2,-0.1 2,-0.7 -0.992 7.4-160.4-131.9 120.2 5.6 37.9 -27.0 64 82 A F E +O 49 0C 70 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.913 17.1 173.0-107.5 112.1 6.1 39.9 -23.8 65 83 A I E -O 48 0C 27 -17,-2.7 -17,-3.0 -2,-0.7 2,-0.1 -0.971 28.1-126.6-124.8 130.7 5.1 43.6 -24.1 66 84 A N E -O 47 0C 80 -2,-0.4 25,-2.6 -19,-0.2 2,-0.3 -0.390 29.9-111.4 -71.2 147.5 5.0 46.2 -21.4 67 85 A A E -P 90 0C 21 -21,-2.6 -21,-0.2 23,-0.2 23,-0.2 -0.633 31.7-179.0 -79.8 134.8 1.8 48.2 -21.0 68 86 A A E S+ 0 0 60 21,-3.4 2,-0.4 1,-0.3 22,-0.2 0.842 71.1 29.5 -97.6 -53.9 2.2 51.9 -22.0 69 87 A K E -P 89 0C 78 20,-1.7 20,-2.6 154,-0.1 2,-0.5 -0.924 62.0-173.0-113.8 133.5 -1.2 53.2 -21.3 70 88 A I E +P 88 0C 32 -2,-0.4 2,-0.5 18,-0.2 18,-0.2 -0.956 11.5 177.2-126.2 108.7 -3.6 51.8 -18.7 71 89 A I E -P 87 0C 58 16,-3.1 16,-3.1 -2,-0.5 2,-0.2 -0.930 11.1-165.0-122.4 112.5 -7.0 53.3 -18.8 72 90 A T E -P 86 0C 49 -2,-0.5 14,-0.2 14,-0.2 12,-0.1 -0.598 44.0 -86.3 -88.3 152.7 -9.9 52.2 -16.5 73 91 A H > - 0 0 19 12,-2.1 3,-1.8 10,-0.3 -1,-0.1 -0.323 36.1-127.4 -56.8 137.9 -13.4 53.2 -17.4 74 92 A P T 3 S+ 0 0 96 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.731 108.5 47.9 -61.7 -21.4 -14.1 56.7 -15.9 75 93 A N T 3 S+ 0 0 109 8,-0.1 2,-0.1 2,-0.1 -2,-0.1 0.177 77.6 140.6-105.7 17.5 -17.2 55.4 -14.2 76 94 A F < - 0 0 59 -3,-1.8 2,-0.6 9,-0.1 7,-0.2 -0.401 37.8-156.0 -62.2 132.4 -15.7 52.2 -12.7 77 95 A N > - 0 0 66 5,-2.0 4,-2.8 1,-0.1 5,-0.5 -0.934 7.8-161.2-115.7 107.9 -17.1 51.6 -9.2 78 96 A G T 4 S+ 0 0 55 -2,-0.6 -1,-0.1 1,-0.2 -2,-0.0 0.689 89.0 51.8 -61.0 -19.8 -14.8 49.5 -7.0 79 97 A N T 4 S+ 0 0 159 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.817 124.7 21.9 -87.6 -33.9 -17.6 48.6 -4.6 80 98 A T T 4 S- 0 0 70 -3,-0.4 -2,-0.2 2,-0.1 77,-0.1 0.569 94.6-131.5-107.2 -15.0 -20.2 47.3 -7.0 81 99 A L >< + 0 0 18 -4,-2.8 3,-0.8 1,-0.3 2,-0.2 0.707 49.2 159.4 68.3 21.4 -17.8 46.5 -9.9 82 100 A D T 3 + 0 0 32 -5,-0.5 -5,-2.0 1,-0.3 -1,-0.3 -0.557 65.9 18.3 -74.2 139.7 -20.1 48.4 -12.3 83 101 A N T 3 S+ 0 0 19 -2,-0.2 2,-1.9 -7,-0.2 -10,-0.3 0.908 79.7 174.1 65.0 42.1 -18.2 49.4 -15.4 84 102 A D < + 0 0 1 -3,-0.8 2,-0.3 75,-0.2 123,-0.2 -0.532 32.3 116.6 -83.2 74.3 -15.5 46.9 -14.7 85 103 A I - 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