==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SERINE PROTEASE 16-MAY-97 1MTV . COMPND 2 MOLECULE: TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR M.T.STUBBS . 223 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9264.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 135 60.5 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 . 72 32.3 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 . 3 1.3 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 . 14 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 14 6.3 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 1 0 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 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 1 0 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 2 0, 0.0 2,-0.4 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 127.2 51.5 14.1 49.0 2 17 A V B +A 171 0A 11 169,-3.3 169,-1.8 1,-0.2 123,-0.1 -0.882 360.0 5.1-104.3 132.2 53.7 14.0 52.1 3 18 A G S S+ 0 0 44 121,-0.5 -1,-0.2 -2,-0.4 169,-0.1 0.683 101.8 122.5 72.5 18.6 55.4 10.7 53.0 4 19 A G - 0 0 34 -3,-0.3 2,-0.3 167,-0.1 134,-0.2 -0.086 56.4-115.7 -95.5-161.5 54.2 8.9 49.9 5 20 A Y E -B 137 0B 95 132,-2.6 132,-3.4 -3,-0.1 2,-0.3 -0.945 34.7 -88.8-137.7 155.6 56.0 7.1 47.1 6 21 A T E -B 136 0B 72 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.525 35.7-149.0 -66.2 123.8 56.4 7.6 43.4 7 22 A a - 0 0 18 128,-2.0 -1,-0.2 -2,-0.3 129,-0.1 0.882 35.0-116.9 -62.1 -44.6 53.4 5.8 41.8 8 23 A G > - 0 0 28 127,-0.5 3,-1.7 45,-0.1 4,-0.3 0.025 49.2 -47.4 110.1 141.1 55.2 4.9 38.6 9 24 A A T 3 S- 0 0 55 1,-0.3 44,-0.1 2,-0.1 43,-0.1 -0.104 120.0 -16.1 -47.1 120.9 54.2 6.0 35.1 10 25 A N T 3 S+ 0 0 27 42,-0.3 -1,-0.3 2,-0.1 43,-0.1 0.756 88.5 131.2 53.7 35.9 50.5 5.7 34.5 11 26 A T S < S+ 0 0 82 -3,-1.7 -1,-0.1 1,-0.3 -2,-0.1 0.589 75.6 49.4 -88.1 -11.0 49.7 3.3 37.4 12 27 A V S > S+ 0 0 6 -4,-0.3 3,-2.1 1,-0.1 -1,-0.3 -0.634 73.1 173.7-125.2 71.5 46.8 5.5 38.4 13 28 A P T 3 S+ 0 0 28 0, 0.0 88,-1.4 0, 0.0 38,-0.3 0.619 72.7 57.6 -56.1 -21.3 45.1 5.8 34.9 14 29 A Y T 3 S+ 0 0 24 86,-0.2 15,-2.4 88,-0.1 2,-0.2 0.526 80.7 109.8 -89.4 -8.4 42.0 7.7 36.3 15 30 A Q E < -J 28 0C 6 -3,-2.1 36,-0.4 13,-0.2 37,-0.4 -0.499 49.1-170.6 -71.5 132.0 44.1 10.5 37.8 16 31 A V E -J 27 0C 0 11,-2.5 11,-1.2 -2,-0.2 2,-0.5 -0.840 17.8-139.4-123.9 157.7 43.7 13.8 36.0 17 32 A S E -JK 26 49C 1 32,-2.2 32,-2.8 -2,-0.3 2,-0.6 -0.982 13.1-145.6-115.6 127.2 45.5 17.2 36.2 18 33 A L E -JK 25 48C 0 7,-3.2 6,-2.4 -2,-0.5 7,-1.1 -0.868 25.1-170.8 -94.1 124.3 43.5 20.4 36.0 19 34 A N E +JK 23 47C 23 28,-2.9 28,-2.4 -2,-0.6 4,-0.2 -0.959 31.0 169.0-125.3 133.5 45.6 23.0 34.2 20 37 A S S S- 0 0 33 2,-2.4 3,-0.1 -2,-0.4 26,-0.1 -0.352 97.2 -45.6-132.1 50.3 45.0 26.7 33.7 21 38 A G S S+ 0 0 73 1,-0.1 2,-0.3 26,-0.1 -2,-0.1 0.205 141.5 26.5 101.7 -9.5 48.5 27.5 32.3 22 39 A Y S S- 0 0 127 -4,-0.0 -2,-2.4 0, 0.0 2,-0.3 -0.935 102.8 -80.3-169.1 162.5 49.9 25.4 35.2 23 40 A H E +J 19 0C 35 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.617 50.7 157.7 -76.1 132.1 48.6 22.5 37.3 24 41 A F E + 0 0 32 -6,-2.4 2,-0.3 1,-0.4 151,-0.2 0.570 60.3 5.2-128.8 -20.4 46.4 23.7 40.1 25 42 A b E -J 18 0C 7 -7,-1.1 -7,-3.2 151,-0.1 -1,-0.4 -0.974 61.6-126.2-159.2 163.8 44.2 20.7 41.1 26 43 A G E +J 17 0C 2 151,-3.1 12,-0.4 -2,-0.3 2,-0.3 -0.481 26.6 176.5-104.8-176.8 43.8 17.0 40.5 27 44 A G E -J 16 0C 0 -11,-1.2 -11,-2.5 -2,-0.2 2,-0.4 -0.971 25.4-111.0-173.1 175.2 40.6 15.1 39.5 28 45 A S E -JL 15 36C 1 8,-2.6 8,-2.7 -2,-0.3 2,-0.5 -0.986 19.9-132.9-128.9 132.1 39.2 11.7 38.6 29 46 A L E + L 0 35C 0 -15,-2.4 74,-2.5 -2,-0.4 6,-0.2 -0.710 23.9 176.5 -81.1 123.3 37.9 10.5 35.2 30 47 A I E - 0 0 19 4,-2.6 2,-0.3 -2,-0.5 5,-0.2 0.600 68.4 -12.4-101.5 -18.6 34.6 8.8 35.8 31 48 A N E > S- L 0 34C 47 3,-1.1 3,-0.9 70,-0.1 -1,-0.4 -0.932 89.5 -76.0-165.5 173.5 33.8 8.1 32.1 32 49 A S T 3 S+ 0 0 38 -2,-0.3 62,-3.0 1,-0.2 60,-0.1 0.672 129.2 30.8 -56.5 -19.1 35.1 9.2 28.7 33 50 A Q T 3 S+ 0 0 79 60,-0.2 57,-2.6 1,-0.1 2,-0.4 0.496 109.4 70.2-118.4 -2.8 33.4 12.6 28.9 34 51 A W E < -LM 31 89C 10 -3,-0.9 -4,-2.6 55,-0.2 -3,-1.1 -0.948 47.0-172.6-130.0 141.7 33.3 13.4 32.7 35 52 A V E -LM 29 88C 0 53,-2.8 53,-2.9 -2,-0.4 2,-0.4 -0.935 12.1-151.1-124.6 139.8 35.7 14.4 35.5 36 53 A V E +LM 28 87C 0 -8,-2.7 -8,-2.6 -2,-0.4 2,-0.2 -0.950 30.8 146.9-111.1 134.2 35.0 14.7 39.2 37 54 A S E - M 0 86C 0 49,-2.5 49,-2.1 -2,-0.4 2,-0.3 -0.697 50.2 -65.3-144.2-165.8 37.0 17.2 41.3 38 55 A A > - 0 0 0 -12,-0.4 3,-1.7 47,-0.3 47,-0.3 -0.760 32.0-133.8 -95.2 140.8 36.6 19.5 44.3 39 56 A A G > S+ 0 0 2 -2,-0.3 3,-2.1 1,-0.3 -1,-0.1 0.846 106.0 64.3 -59.8 -33.8 34.3 22.5 44.1 40 57 A H G 3 S+ 0 0 67 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.556 93.7 64.1 -69.1 -4.5 37.1 24.7 45.7 41 58 A b G < S+ 0 0 3 -3,-1.7 -1,-0.3 2,-0.1 -2,-0.2 0.424 74.1 137.7 -94.9 -1.8 39.1 24.0 42.6 42 59 A Y < + 0 0 123 -3,-2.1 2,-0.3 -4,-0.1 -3,-0.1 -0.196 21.0 153.2 -52.8 130.7 36.6 25.9 40.4 43 60 A K - 0 0 78 0, 0.0 2,-0.4 0, 0.0 3,-0.3 -0.949 43.7-112.6-151.3 160.1 38.2 28.1 37.8 44 61 A S S S+ 0 0 99 -2,-0.3 0, 0.0 1,-0.2 0, 0.0 -0.826 96.2 29.8 -98.4 138.0 37.2 29.5 34.4 45 62 A G S S+ 0 0 66 -2,-0.4 2,-0.4 1,-0.2 -1,-0.2 0.961 77.7 176.5 80.2 56.1 39.2 28.1 31.5 46 63 A I - 0 0 10 -3,-0.3 21,-2.3 21,-0.1 2,-0.5 -0.760 17.4-163.5 -98.3 135.1 40.2 24.7 32.6 47 64 A Q E -KN 19 66C 51 -28,-2.4 -28,-2.9 -2,-0.4 2,-0.5 -0.977 15.8-141.8-114.5 130.8 42.1 22.2 30.4 48 65 A V E -KN 18 65C 0 17,-3.2 17,-2.7 -2,-0.5 2,-0.5 -0.823 11.6-158.4 -95.4 129.0 42.0 18.6 31.6 49 66 A R E -KN 17 64C 51 -32,-2.8 -32,-2.2 -2,-0.5 2,-0.3 -0.954 12.6-177.2-114.9 120.0 45.2 16.6 31.2 50 67 A L E + N 0 63C 2 13,-2.7 13,-1.6 -2,-0.5 -34,-0.1 -0.731 60.5 31.6-110.8 160.8 45.0 12.8 31.1 51 69 A G S S+ 0 0 3 -36,-0.4 10,-0.2 -38,-0.3 2,-0.2 0.688 84.0 156.7 66.6 19.7 47.7 10.1 30.9 52 70 A E + 0 0 12 -37,-0.4 -42,-0.3 -3,-0.2 -1,-0.2 -0.475 22.3 153.7 -80.2 145.3 50.1 12.3 32.8 53 71 A D S S+ 0 0 18 1,-0.4 82,-0.7 4,-0.3 2,-0.7 0.457 79.2 28.7-127.7 -69.9 53.1 11.2 34.8 54 72 A N B > S-P 134 0D 31 3,-0.3 3,-1.0 80,-0.2 -1,-0.4 -0.875 72.2-155.6 -97.1 115.1 55.6 14.1 34.8 55 73 A I T 3 S+ 0 0 34 78,-2.5 -1,-0.1 -2,-0.7 79,-0.1 0.611 91.6 49.1 -67.7 -11.2 53.5 17.3 34.5 56 74 A N T 3 S+ 0 0 118 77,-0.2 2,-0.4 1,-0.1 -1,-0.2 0.468 105.0 63.4-106.0 -4.4 56.4 19.2 33.1 57 75 A V S < S- 0 0 70 -3,-1.0 2,-0.8 76,-0.2 -3,-0.3 -0.981 72.5-138.1-127.6 129.0 57.4 16.7 30.4 58 76 A V + 0 0 109 -2,-0.4 -3,-0.1 1,-0.1 -6,-0.0 -0.759 25.9 173.2 -84.7 109.2 55.4 15.5 27.4 59 77 A E - 0 0 75 -2,-0.8 -1,-0.1 -5,-0.2 -7,-0.0 0.296 51.2-105.3 -99.5 3.1 56.0 11.7 27.2 60 78 A G S S+ 0 0 63 1,-0.0 -2,-0.1 0, 0.0 -9,-0.0 0.396 102.2 87.0 90.8 -3.1 53.5 10.8 24.4 61 79 A N + 0 0 45 -10,-0.2 2,-0.1 38,-0.0 -9,-0.0 0.343 66.4 111.0-108.9 6.2 50.7 9.2 26.5 62 80 A E - 0 0 29 -13,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.451 46.4-165.2 -87.8 154.6 48.9 12.4 27.3 63 81 A Q E -N 50 0C 40 -13,-1.6 -13,-2.7 -2,-0.1 2,-0.6 -0.990 7.3-163.3-136.1 117.0 45.5 13.8 26.1 64 82 A F E +N 49 0C 74 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.940 16.9 171.8-106.0 116.4 44.8 17.5 26.7 65 83 A I E -N 48 0C 15 -17,-2.7 -17,-3.2 -2,-0.6 2,-0.1 -0.991 27.7-128.4-130.7 131.4 41.1 18.3 26.4 66 84 A S E -N 47 0C 51 -2,-0.4 25,-2.9 -19,-0.3 26,-0.3 -0.430 28.1-112.9 -74.0 151.4 39.4 21.6 27.3 67 85 A A E -O 90 0C 19 -21,-2.3 23,-0.3 23,-0.2 3,-0.1 -0.676 20.4-166.6 -84.8 137.0 36.3 21.6 29.6 68 86 A S E S+ 0 0 59 21,-2.8 2,-0.3 1,-0.3 22,-0.2 0.771 73.6 3.2 -91.3 -33.5 33.0 22.5 27.9 69 87 A K E -O 89 0C 79 20,-1.1 20,-2.8 2,-0.0 2,-0.4 -0.995 57.1-154.8-155.0 148.1 31.2 23.0 31.2 70 88 A S E -O 88 0C 44 -2,-0.3 2,-0.5 18,-0.2 18,-0.2 -0.977 8.7-166.1-124.9 136.2 31.8 22.9 35.0 71 89 A I E -O 87 0C 38 16,-3.0 16,-2.8 -2,-0.4 2,-0.3 -0.943 4.7-160.5-128.4 108.2 29.0 22.2 37.5 72 90 A V E -O 86 0C 47 -2,-0.5 14,-0.2 14,-0.2 12,-0.1 -0.635 41.9 -87.9 -83.6 143.9 29.7 22.9 41.2 73 91 A H > - 0 0 21 12,-2.2 3,-1.8 10,-0.3 -1,-0.1 -0.268 35.3-125.5 -52.1 135.8 27.4 21.2 43.7 74 92 A P T 3 S+ 0 0 99 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.744 108.1 44.1 -57.6 -25.9 24.3 23.2 44.3 75 93 A S T 3 S+ 0 0 72 8,-0.1 2,-0.1 2,-0.1 -2,-0.1 0.154 78.7 142.9-107.3 19.8 24.9 23.2 48.1 76 94 A Y < - 0 0 57 -3,-1.8 2,-0.6 9,-0.1 7,-0.2 -0.399 34.2-160.1 -63.9 129.9 28.6 24.0 48.1 77 95 A N > - 0 0 68 5,-1.9 4,-2.4 -2,-0.1 5,-0.5 -0.953 7.6-163.3-114.9 110.7 29.6 26.2 51.0 78 96 A S T 4 S+ 0 0 83 -2,-0.6 -1,-0.1 1,-0.2 -2,-0.0 0.685 87.9 56.3 -67.7 -18.0 32.9 28.0 50.4 79 97 A N T 4 S+ 0 0 149 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.848 124.7 19.0 -81.1 -37.3 33.3 28.9 54.1 80 98 A T T 4 S- 0 0 71 -3,-0.3 -2,-0.2 2,-0.1 -1,-0.1 0.488 94.0-130.4-109.8 -11.8 32.9 25.3 55.5 81 99 A L >< + 0 0 31 -4,-2.4 3,-0.9 1,-0.2 2,-0.2 0.697 48.8 160.1 64.6 20.2 33.7 23.3 52.3 82 100 A N T 3 + 0 0 35 -5,-0.5 -5,-1.9 1,-0.3 -1,-0.2 -0.567 68.3 17.5 -70.6 136.2 30.6 21.2 52.9 83 101 A N T 3 S+ 0 0 15 -2,-0.2 2,-2.1 -7,-0.2 -10,-0.3 0.886 80.6 178.6 66.4 43.8 29.7 19.5 49.6 84 102 A D < + 0 0 0 -3,-0.9 2,-0.3 75,-0.2 -1,-0.2 -0.476 35.2 111.8 -80.0 76.7 33.1 20.1 48.1 85 103 A I + 0 0 0 -2,-2.1 -12,-2.2 -47,-0.3 2,-0.3 -0.995 37.2 178.0-149.7 143.8 32.5 18.4 44.8 86 104 A M E -MO 37 72C 0 -49,-2.1 -49,-2.5 -2,-0.3 2,-0.4 -0.991 19.6-137.1-147.1 150.3 32.2 19.5 41.2 87 105 A L E -MO 36 71C 0 -16,-2.8 -16,-3.0 -2,-0.3 2,-0.4 -0.895 14.5-162.9-110.4 140.6 31.7 17.8 37.8 88 106 A I E -MO 35 70C 0 -53,-2.9 -53,-2.8 -2,-0.4 2,-0.4 -0.990 6.1-151.9-126.1 125.3 33.6 18.8 34.7 89 107 A K E -MO 34 69C 41 -20,-2.8 -21,-2.8 -2,-0.4 -20,-1.1 -0.838 16.8-131.7 -99.3 133.9 32.5 17.8 31.1 90 108 A L E - 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