==== 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 24-OCT-92 1SMF . COMPND 2 MOLECULE: TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR Q.HUANG,Y.LI,S.ZHANG,S.LIU,Y.TANG,C.QI . 232 2 7 7 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9368.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 149 64.2 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 . 74 31.9 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 . 20 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 9.5 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 . 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 1 3 5 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 E I > 0 0 2 0, 0.0 3,-0.5 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 111.6 12.3 -5.1 77.5 2 17 E V B 3 +A 171 0A 6 169,-2.7 169,-1.5 1,-0.2 123,-0.1 -0.720 360.0 8.3 -84.4 135.2 8.5 -5.0 76.5 3 18 E G T 3 S+ 0 0 43 121,-0.5 -1,-0.2 -2,-0.3 2,-0.1 0.773 102.1 124.9 68.4 26.4 7.5 -7.3 73.5 4 19 E G < - 0 0 30 -3,-0.5 2,-0.3 167,-0.1 134,-0.2 -0.180 54.6-118.6-103.0-164.7 10.8 -9.0 73.3 5 20 E Y E -B 137 0B 100 132,-2.5 132,-3.0 -2,-0.1 2,-0.5 -0.897 35.3 -87.5-134.8 159.1 11.9 -12.6 73.4 6 21 E T E -B 136 0B 73 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.646 36.7-148.9 -68.4 120.1 14.2 -14.7 75.7 7 22 E a - 0 0 16 128,-1.8 -1,-0.2 -2,-0.5 129,-0.1 0.846 32.2-117.0 -54.0 -46.5 17.7 -14.3 74.4 8 23 E G > - 0 0 28 127,-0.4 3,-1.9 4,-0.0 4,-0.3 0.104 41.6 -65.4 105.6 135.7 19.1 -17.7 75.4 9 24 E A T 3 S+ 0 0 58 1,-0.3 44,-0.1 2,-0.1 43,-0.1 -0.247 118.6 2.4 -60.0 137.0 22.0 -18.2 77.8 10 25 E N T 3 S+ 0 0 75 42,-0.3 -1,-0.3 2,-0.1 43,-0.1 0.428 95.1 117.1 70.3 2.2 25.4 -16.9 76.6 11 26 E T S < S+ 0 0 78 -3,-1.9 -2,-0.1 1,-0.3 -1,-0.1 0.622 81.2 36.7 -77.4 -14.7 23.8 -15.5 73.4 12 27 E V S > S+ 0 0 9 -4,-0.3 3,-1.8 87,-0.1 -1,-0.3 -0.640 74.6 173.2-130.5 71.5 24.7 -11.8 74.3 13 28 E P T 3 S+ 0 0 30 0, 0.0 88,-1.9 0, 0.0 38,-0.3 0.552 72.8 57.6 -69.5 -7.0 28.1 -12.3 76.0 14 29 E Y T 3 S+ 0 0 22 86,-0.2 15,-2.4 88,-0.1 2,-0.2 0.542 79.5 109.2 -96.6 -12.5 28.9 -8.6 76.4 15 30 E Q E < -K 28 0C 7 -3,-1.8 36,-0.5 13,-0.2 37,-0.3 -0.515 49.2-172.5 -65.5 125.6 25.7 -7.8 78.4 16 31 E V E -K 27 0C 1 11,-2.4 11,-1.2 -2,-0.2 2,-0.4 -0.854 17.6-139.2-115.6 158.5 26.4 -7.0 82.1 17 32 E S E -KL 26 49C 2 32,-2.2 32,-2.9 -2,-0.3 2,-0.6 -0.957 13.2-142.4-108.3 131.2 24.1 -6.5 85.1 18 33 E L E -KL 25 48C 0 7,-3.2 6,-2.1 -2,-0.4 7,-0.9 -0.857 27.4-169.2 -96.1 126.6 24.9 -3.7 87.5 19 34 E N E +KL 23 47C 17 28,-2.9 28,-2.8 -2,-0.6 4,-0.2 -0.971 33.9 166.3-123.9 135.5 24.1 -4.9 91.0 20 37 E S S S- 0 0 35 2,-2.6 3,-0.1 -2,-0.4 26,-0.1 -0.441 97.4 -50.4-132.5 55.2 23.8 -3.3 94.4 21 38 E G S S+ 0 0 75 1,-0.1 2,-0.3 26,-0.1 -2,-0.1 0.497 140.5 37.6 83.8 1.0 22.0 -6.1 96.3 22 39 E Y S S- 0 0 107 -4,-0.0 -2,-2.6 0, 0.0 2,-0.5 -0.926 99.6 -91.0-170.1 156.9 19.6 -6.0 93.3 23 40 E H E +K 19 0C 18 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.758 50.3 155.4 -72.6 124.9 19.8 -5.5 89.5 24 41 E F E + 0 0 4 -6,-2.1 205,-1.5 -2,-0.5 2,-0.3 0.533 61.4 6.1-129.0 -19.2 19.3 -1.7 88.7 25 42 E b E -K 18 0C 0 -7,-0.9 -7,-3.2 203,-0.2 -1,-0.4 -0.968 61.5-135.8-155.6 157.3 21.0 -1.1 85.3 26 43 E G E +K 17 0C 1 151,-3.3 12,-0.4 -2,-0.3 2,-0.3 -0.427 23.1 177.8 -98.3-170.7 22.7 -3.0 82.6 27 44 E G E -K 16 0C 0 -11,-1.2 -11,-2.4 -2,-0.2 2,-0.4 -0.960 24.9-106.4-173.4-175.9 25.9 -2.2 80.7 28 45 E S E -KM 15 36C 2 8,-2.4 8,-2.5 -2,-0.3 2,-0.6 -0.991 18.5-132.3-132.4 132.9 28.3 -3.5 78.0 29 46 E L E + M 0 35C 0 -15,-2.4 74,-2.2 -2,-0.4 6,-0.2 -0.731 27.1 173.0 -86.0 118.6 31.7 -5.0 78.4 30 47 E I E - 0 0 17 4,-2.1 2,-0.3 -2,-0.6 -1,-0.2 0.586 69.4 -7.1-103.1 -16.6 33.9 -3.3 75.8 31 48 E N E > S- M 0 34C 49 3,-1.5 3,-1.2 70,-0.1 -1,-0.3 -0.956 91.2 -78.1-160.8-177.7 37.2 -4.8 76.9 32 49 E S T 3 S+ 0 0 46 1,-0.3 62,-3.2 -2,-0.3 60,-0.1 0.684 127.1 27.1 -67.1 -14.7 38.4 -7.1 79.8 33 50 E Q T 3 S+ 0 0 61 60,-0.2 57,-2.8 1,-0.1 2,-0.4 0.414 110.8 71.1-124.0 1.3 38.5 -4.3 82.4 34 51 E W E < -MN 31 89C 10 -3,-1.2 -4,-2.1 55,-0.2 -3,-1.5 -0.987 48.2-171.6-135.9 140.2 35.9 -1.8 81.2 35 52 E V E -MN 29 88C 0 53,-2.2 53,-2.5 -2,-0.4 2,-0.5 -0.919 14.5-144.8-117.4 143.9 32.2 -1.5 81.0 36 53 E V E +MN 28 87C 1 -8,-2.5 -8,-2.4 -2,-0.3 2,-0.2 -0.936 34.1 148.0-110.4 130.8 30.0 1.2 79.3 37 54 E S E - N 0 86C 0 49,-2.9 49,-2.5 -2,-0.5 2,-0.3 -0.794 49.8 -69.5-143.0-173.1 26.8 2.2 80.9 38 55 E A > - 0 0 0 -12,-0.4 3,-1.9 47,-0.3 47,-0.3 -0.731 32.2-132.2 -88.9 138.4 24.5 5.2 81.4 39 56 E A G > S+ 0 0 2 -2,-0.3 3,-2.1 1,-0.3 -1,-0.1 0.853 107.0 62.7 -54.4 -35.8 25.6 8.2 83.6 40 57 E H G 3 S+ 0 0 8 1,-0.3 -1,-0.3 41,-0.1 186,-0.1 0.574 93.8 64.6 -72.6 -3.6 22.2 8.2 85.3 41 58 E b G < S+ 0 0 4 -3,-1.9 -1,-0.3 187,-0.1 -2,-0.2 0.549 76.6 127.9 -87.7 -8.5 23.0 4.6 86.6 42 59 E Y < + 0 0 122 -3,-2.1 2,-0.3 -4,-0.2 -3,-0.0 -0.159 25.1 138.4 -52.9 135.8 25.9 6.0 88.7 43 60 E K - 0 0 56 0, 0.0 3,-0.4 0, 0.0 2,-0.2 -0.961 52.2 -94.2-168.7 162.0 26.0 5.1 92.4 44 61 E S S S+ 0 0 106 -2,-0.3 0, 0.0 1,-0.2 0, 0.0 -0.559 99.3 32.6 -80.9 150.8 28.5 4.0 94.9 45 62 E G S S+ 0 0 64 1,-0.2 2,-0.5 -2,-0.2 -1,-0.2 0.877 73.9 172.2 75.4 46.8 29.0 0.4 95.6 46 63 E I - 0 0 11 -3,-0.4 21,-2.4 21,-0.1 2,-0.5 -0.718 17.7-163.8 -90.6 131.5 28.4 -1.2 92.2 47 64 E Q E -LO 19 66C 61 -28,-2.8 -28,-2.9 -2,-0.5 2,-0.6 -0.947 14.8-143.0-110.9 130.6 29.2 -4.9 91.6 48 65 E V E -LO 18 65C 0 17,-3.2 17,-2.8 -2,-0.5 2,-0.6 -0.808 10.7-158.1 -94.4 123.3 29.4 -5.8 87.9 49 66 E R E -LO 17 64C 47 -32,-2.9 -32,-2.2 -2,-0.6 3,-0.3 -0.926 12.7-174.8-113.6 112.3 27.9 -9.2 87.1 50 67 E L E + O 0 63C 2 13,-3.2 13,-1.8 -2,-0.6 -34,-0.1 -0.643 61.7 27.5 -97.4 155.7 29.2 -10.8 83.9 51 69 E G S S+ 0 0 17 -36,-0.5 10,-0.2 -38,-0.3 -1,-0.2 0.687 84.4 152.8 64.7 19.7 28.1 -14.0 82.2 52 70 E E + 0 0 17 -37,-0.3 -42,-0.3 -3,-0.3 -1,-0.2 -0.459 21.4 151.9 -78.1 147.4 24.6 -13.8 83.6 53 71 E D S S+ 0 0 20 1,-0.3 2,-0.9 4,-0.2 82,-0.2 0.349 81.5 34.7-129.7 -66.9 21.3 -15.2 82.2 54 72 E N S > S- 0 0 22 80,-0.2 3,-1.1 1,-0.1 -1,-0.3 -0.803 73.9-164.0 -85.3 109.2 19.0 -15.9 85.2 55 73 E I T 3 S+ 0 0 25 78,-3.0 -1,-0.1 -2,-0.9 79,-0.1 0.580 83.9 53.2 -74.9 -8.1 20.0 -13.1 87.5 56 74 E N T 3 S+ 0 0 112 77,-0.3 2,-0.4 1,-0.1 -1,-0.2 0.484 105.5 54.7-102.1 -5.7 18.4 -14.8 90.6 57 75 E V S < S- 0 0 76 -3,-1.1 2,-0.7 76,-0.2 -4,-0.2 -0.981 76.9-129.6-129.2 139.0 20.2 -18.2 90.3 58 76 E V + 0 0 117 -2,-0.4 -3,-0.1 1,-0.1 -6,-0.0 -0.809 39.4 164.8 -81.9 115.3 23.9 -19.0 90.2 59 77 E E - 0 0 108 -2,-0.7 -1,-0.1 -5,-0.2 -7,-0.0 0.561 55.2 -85.2-110.5 -19.1 23.9 -21.3 87.2 60 78 E G S S+ 0 0 49 -9,-0.0 -8,-0.1 0, 0.0 -2,-0.1 -0.165 105.1 68.1 143.4 -52.4 27.5 -21.5 86.2 61 79 E N + 0 0 76 -10,-0.2 -9,-0.1 38,-0.0 -3,-0.0 0.362 68.0 126.9 -96.9 18.5 29.1 -18.9 84.0 62 80 E E - 0 0 34 -13,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.193 35.5-171.3 -71.3 153.2 29.0 -15.9 86.3 63 81 E Q E -O 50 0C 40 -13,-1.8 -13,-3.2 2,-0.1 2,-0.5 -0.940 7.9-161.6-144.3 123.5 31.8 -13.5 87.3 64 82 E F E +O 49 0C 82 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.972 18.3 172.2-105.4 115.3 31.0 -11.0 90.0 65 83 E I E -O 48 0C 21 -17,-2.8 -17,-3.2 -2,-0.5 2,-0.2 -0.996 28.9-126.2-132.2 127.0 33.6 -8.1 89.9 66 84 E S E -O 47 0C 50 -2,-0.4 25,-2.6 -19,-0.3 26,-0.3 -0.558 30.3-110.7 -68.4 143.9 33.5 -4.9 92.0 67 85 E A E -P 90 0C 22 -21,-2.4 23,-0.3 23,-0.2 3,-0.1 -0.518 24.7-166.9 -72.3 133.2 33.8 -1.6 90.1 68 86 E S E S+ 0 0 70 21,-3.2 2,-0.3 1,-0.4 22,-0.2 0.781 73.4 4.3 -86.0 -40.4 37.1 0.1 90.8 69 87 E K E -P 89 0C 100 20,-1.3 20,-2.6 2,-0.0 2,-0.5 -0.990 56.4-155.0-145.9 144.1 36.1 3.5 89.3 70 88 E S E -P 88 0C 37 -2,-0.3 2,-0.8 18,-0.2 18,-0.2 -0.976 13.9-165.2-122.6 109.9 32.9 5.0 87.7 71 89 E I E -P 87 0C 32 16,-3.1 16,-2.6 -2,-0.5 2,-0.3 -0.868 4.2-164.8-100.8 101.2 33.7 7.8 85.3 72 90 E V E -P 86 0C 43 -2,-0.8 14,-0.2 14,-0.2 12,-0.1 -0.695 39.8 -94.1 -80.5 141.9 30.6 9.8 84.6 73 91 E H > - 0 0 22 12,-2.2 3,-2.4 -2,-0.3 -1,-0.1 -0.425 34.1-130.5 -55.4 125.9 30.9 12.1 81.5 74 92 E P T 3 S+ 0 0 110 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.665 106.4 47.9 -58.5 -18.3 32.0 15.5 83.0 75 93 E S T 3 S+ 0 0 73 8,-0.1 -2,-0.1 2,-0.1 9,-0.1 0.173 77.4 138.5-106.9 16.0 29.2 17.2 80.9 76 94 E Y < - 0 0 52 -3,-2.4 2,-0.5 9,-0.1 7,-0.2 -0.387 39.4-156.7 -52.5 132.7 26.4 14.8 81.8 77 95 E N B >> -Q 82 0D 68 5,-2.1 4,-2.7 1,-0.1 5,-0.6 -0.942 9.0-160.8-121.4 114.9 23.2 16.9 82.5 78 96 E S T 45S+ 0 0 78 -2,-0.5 -1,-0.1 1,-0.2 -2,-0.0 0.671 88.7 53.0 -66.2 -18.7 20.7 15.1 84.7 79 97 E N T 45S+ 0 0 148 1,-0.1 -1,-0.2 3,-0.1 -3,-0.0 0.884 123.6 22.5 -84.6 -46.4 17.9 17.3 83.5 80 98 E T T 45S- 0 0 66 -3,-0.1 -2,-0.2 2,-0.1 77,-0.1 0.645 95.9-132.7 -91.4 -19.3 18.2 17.0 79.8 81 99 E L T ><5 + 0 0 21 -4,-2.7 3,-0.9 1,-0.3 2,-0.2 0.597 49.1 159.9 66.0 21.0 20.1 13.6 80.0 82 100 E N B 3 < +Q 77 0D 37 -5,-0.6 -5,-2.1 1,-0.2 -1,-0.3 -0.512 63.1 16.8 -66.6 135.9 22.5 15.0 77.5 83 101 E N T 3 S+ 0 0 24 -7,-0.2 2,-1.9 1,-0.2 -10,-0.3 0.879 78.4 176.1 65.2 43.5 25.8 13.1 77.6 84 102 E D < + 0 0 0 -3,-0.9 2,-0.3 75,-0.2 -1,-0.2 -0.512 32.0 113.3 -81.3 78.7 24.3 10.1 79.3 85 103 E I - 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