==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-MAR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 21-JUL-99 1C1T . COMPND 2 MOLECULE: TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR B.A.KATZ,C.LUONG . 223 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9194.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 132 59.2 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 . 70 31.4 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 . 13 5.8 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 . 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 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 . 3 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 3 0, 0.0 2,-0.4 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 131.7 51.8 14.4 49.1 2 17 A V B +A 171 0A 7 169,-2.7 169,-1.8 1,-0.2 123,-0.1 -0.919 360.0 9.1-111.9 133.0 54.2 14.3 52.1 3 18 A G S S+ 0 0 50 121,-0.5 -1,-0.2 -2,-0.4 2,-0.1 0.741 102.5 118.7 71.8 24.8 55.8 11.0 53.2 4 19 A G - 0 0 33 -3,-0.2 2,-0.3 134,-0.1 134,-0.2 -0.228 56.9-117.4-105.7-166.1 54.6 9.2 50.0 5 20 A Y E -B 137 0B 93 132,-2.7 132,-3.0 -2,-0.1 2,-0.5 -0.896 33.7 -85.8-134.3 165.2 56.4 7.5 47.2 6 21 A T E -B 136 0B 71 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.589 36.9-149.9 -73.7 121.9 56.7 7.9 43.4 7 22 A a - 0 0 19 128,-1.8 -1,-0.2 -2,-0.5 2,-0.1 0.939 35.6-113.5 -56.4 -54.7 53.8 6.0 42.0 8 23 A G > - 0 0 27 127,-0.5 3,-1.6 -3,-0.1 4,-0.3 -0.184 48.4 -54.1 122.9 147.5 55.4 5.0 38.8 9 24 A A T 3 S- 0 0 58 1,-0.3 44,-0.1 -2,-0.1 43,-0.0 -0.272 118.7 -13.1 -57.9 126.8 54.3 6.2 35.3 10 25 A N T 3 S+ 0 0 32 42,-0.4 -1,-0.3 2,-0.1 43,-0.1 0.756 90.4 127.7 50.8 36.7 50.7 5.7 34.6 11 26 A T S < S+ 0 0 79 -3,-1.6 -2,-0.1 1,-0.3 -1,-0.1 0.546 77.3 48.8 -91.4 -7.9 50.1 3.3 37.5 12 27 A V S > S+ 0 0 7 -4,-0.3 3,-1.9 87,-0.1 -1,-0.3 -0.682 75.2 173.9-126.3 72.9 47.2 5.6 38.6 13 28 A P T 3 S+ 0 0 32 0, 0.0 88,-1.2 0, 0.0 38,-0.3 0.636 71.3 57.1 -65.8 -16.8 45.5 5.8 35.1 14 29 A Y T 3 S+ 0 0 24 86,-0.2 15,-2.2 88,-0.1 2,-0.3 0.427 80.9 112.3 -92.5 -2.5 42.4 7.7 36.3 15 30 A Q E < -J 28 0C 6 -3,-1.9 36,-0.4 13,-0.2 37,-0.4 -0.581 47.8-170.3 -76.7 133.7 44.4 10.6 37.8 16 31 A V E -J 27 0C 0 11,-2.4 11,-1.3 -2,-0.3 2,-0.5 -0.871 17.7-144.5-123.5 154.6 44.0 13.9 36.0 17 32 A S E -JK 26 49C 1 32,-2.2 32,-2.8 -2,-0.3 2,-0.5 -0.978 15.0-146.1-117.7 129.7 45.9 17.2 36.3 18 33 A L E -JK 25 48C 0 7,-3.1 6,-2.3 -2,-0.5 7,-1.0 -0.864 22.6-168.3 -99.0 128.1 43.8 20.4 35.8 19 34 A N E +JK 23 47C 21 28,-2.8 28,-1.9 -2,-0.5 4,-0.2 -0.971 30.9 172.0-123.9 131.0 45.9 23.0 34.1 20 37 A S S S- 0 0 32 2,-2.4 3,-0.1 -2,-0.4 26,-0.1 -0.337 97.6 -46.9-128.7 46.7 45.2 26.8 33.6 21 38 A G S S+ 0 0 70 26,-0.1 2,-0.3 1,-0.1 -2,-0.1 0.263 141.3 30.1 105.3 -7.7 48.7 27.5 32.2 22 39 A Y S S- 0 0 132 -4,-0.0 -2,-2.4 0, 0.0 2,-0.3 -0.913 103.2 -82.5-168.4 159.7 50.1 25.5 35.1 23 40 A H E +J 19 0C 36 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.571 51.3 158.2 -72.8 128.9 48.9 22.5 37.3 24 41 A F E + 0 0 32 -6,-2.3 2,-0.3 1,-0.4 151,-0.2 0.524 59.5 4.9-130.2 -16.3 46.6 23.8 40.0 25 42 A b E -J 18 0C 6 -7,-1.0 -7,-3.1 151,-0.1 -1,-0.4 -0.983 61.4-123.5-162.7 163.9 44.5 20.7 41.1 26 43 A G E +J 17 0C 1 151,-2.9 12,-0.4 -2,-0.3 2,-0.3 -0.462 27.0 177.5-103.1 176.0 44.0 17.0 40.5 27 44 A G E -J 16 0C 0 -11,-1.3 -11,-2.4 -2,-0.2 2,-0.4 -0.947 24.4-115.5-166.3 175.3 40.8 15.3 39.4 28 45 A S E -JL 15 36C 2 8,-2.4 8,-2.3 -2,-0.3 2,-0.5 -0.990 19.0-130.0-128.6 136.9 39.6 11.7 38.6 29 46 A L E + L 0 35C 1 -15,-2.2 74,-2.4 -2,-0.4 6,-0.2 -0.750 25.5 176.3 -84.8 122.7 38.3 10.4 35.3 30 47 A I E - 0 0 19 4,-2.3 2,-0.3 -2,-0.5 5,-0.2 0.596 69.2 -17.5-103.2 -13.3 34.9 8.7 35.8 31 48 A N E > S- L 0 34C 48 3,-1.1 3,-0.9 70,-0.1 -1,-0.4 -0.923 89.2 -73.2-173.3 172.2 34.1 7.9 32.1 32 49 A S T 3 S+ 0 0 44 -2,-0.3 62,-2.9 1,-0.2 60,-0.1 0.648 128.5 32.7 -55.0 -21.4 35.4 9.2 28.7 33 50 A Q T 3 S+ 0 0 78 60,-0.2 57,-2.7 1,-0.1 2,-0.4 0.529 110.2 66.1-113.7 -7.4 33.6 12.5 28.9 34 51 A W E < -LM 31 89C 3 -3,-0.9 -4,-2.3 55,-0.2 -3,-1.1 -0.941 45.6-175.4-130.2 147.0 33.6 13.4 32.7 35 52 A V E -LM 29 88C 0 53,-2.4 53,-2.6 -2,-0.4 2,-0.4 -0.947 13.5-150.9-127.8 144.9 36.0 14.3 35.5 36 53 A V E +LM 28 87C 1 -8,-2.3 -8,-2.4 -2,-0.3 2,-0.2 -0.952 29.6 148.2-118.7 140.2 35.2 14.8 39.2 37 54 A S E - M 0 86C 0 49,-2.5 49,-2.2 -2,-0.4 2,-0.3 -0.747 51.1 -64.4-147.7-166.1 37.3 17.2 41.3 38 55 A A > - 0 0 0 -12,-0.4 3,-1.6 47,-0.3 47,-0.3 -0.702 33.3-132.4 -94.1 144.5 36.8 19.5 44.2 39 56 A A G > S+ 0 0 3 -2,-0.3 3,-1.9 1,-0.3 -1,-0.1 0.830 107.1 63.8 -65.1 -29.6 34.6 22.6 43.9 40 57 A H G 3 S+ 0 0 64 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.614 93.8 64.3 -72.2 -5.8 37.3 24.8 45.6 41 58 A b G < S+ 0 0 3 -3,-1.6 -1,-0.3 -15,-0.0 -2,-0.2 0.401 76.4 134.7 -91.5 -0.2 39.4 24.0 42.4 42 59 A Y < + 0 0 121 -3,-1.9 2,-0.3 -4,-0.1 -3,-0.0 -0.278 20.4 148.4 -56.6 134.2 36.8 25.8 40.3 43 60 A K - 0 0 55 0, 0.0 2,-0.3 0, 0.0 3,-0.2 -0.933 46.8-113.9-157.2 158.3 38.4 28.2 37.6 44 61 A S S S+ 0 0 98 -2,-0.3 0, 0.0 1,-0.2 0, 0.0 -0.702 95.2 38.0 -96.1 151.5 37.2 29.3 34.2 45 62 A G S S+ 0 0 69 -2,-0.3 2,-0.4 1,-0.2 -1,-0.2 0.969 75.2 170.9 73.9 56.0 39.5 28.1 31.3 46 63 A I - 0 0 10 -3,-0.2 21,-2.2 21,-0.1 2,-0.4 -0.813 21.3-164.6-104.3 140.9 40.5 24.6 32.4 47 64 A Q E -KN 19 66C 49 -28,-1.9 -28,-2.8 -2,-0.4 2,-0.5 -0.977 18.1-141.1-120.0 131.7 42.4 22.1 30.3 48 65 A V E -KN 18 65C 0 17,-3.4 17,-2.8 -2,-0.4 2,-0.6 -0.820 11.3-156.8 -97.5 131.2 42.3 18.5 31.6 49 66 A R E -KN 17 64C 50 -32,-2.8 -32,-2.2 -2,-0.5 3,-0.3 -0.961 13.3-176.3-118.4 116.0 45.5 16.6 31.2 50 67 A L E + N 0 63C 3 13,-3.0 13,-1.6 -2,-0.6 -34,-0.1 -0.648 60.4 31.2-104.6 158.6 45.2 12.8 31.1 51 69 A G S S+ 0 0 5 -36,-0.4 10,-0.2 -38,-0.3 2,-0.2 0.729 83.2 153.4 64.8 26.4 48.0 10.1 31.0 52 70 A E + 0 0 11 -37,-0.4 -42,-0.4 -3,-0.3 -1,-0.2 -0.536 23.1 152.3 -88.2 153.0 50.5 12.3 32.9 53 71 A D S S+ 0 0 17 1,-0.5 2,-0.7 4,-0.3 82,-0.2 0.233 82.7 29.3-136.1 -78.4 53.4 11.2 35.0 54 72 A N S > S- 0 0 27 80,-0.2 3,-0.9 3,-0.2 -1,-0.5 -0.767 73.4-160.2 -84.8 119.1 56.0 14.1 34.8 55 73 A I T 3 S+ 0 0 29 78,-2.6 -1,-0.1 -2,-0.7 79,-0.1 0.533 87.5 53.8 -79.7 -2.6 53.7 17.2 34.2 56 74 A N T 3 S+ 0 0 119 77,-0.3 2,-0.4 1,-0.1 -1,-0.2 0.353 104.7 58.6-108.4 0.5 56.7 19.2 32.9 57 75 A V S < S- 0 0 69 -3,-0.9 2,-0.9 76,-0.2 -4,-0.3 -0.998 75.9-134.9-132.7 130.9 57.7 16.8 30.2 58 76 A V + 0 0 112 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.1 -0.748 30.1 174.8 -84.6 108.9 55.6 15.4 27.3 59 77 A E - 0 0 99 -2,-0.9 -1,-0.2 -5,-0.2 -7,-0.0 0.476 52.6 -98.4 -96.7 -3.2 56.5 11.8 27.6 60 78 A G S S+ 0 0 57 -3,-0.1 -2,-0.1 0, 0.0 -8,-0.1 0.178 104.9 81.6 109.0 -18.8 54.1 10.5 24.9 61 79 A N + 0 0 51 -10,-0.2 2,-0.1 38,-0.0 -9,-0.0 0.345 65.0 114.9-106.1 13.9 51.0 9.2 26.8 62 80 A E - 0 0 30 -13,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.435 41.9-168.8 -85.9 157.4 49.2 12.5 27.4 63 81 A Q E -N 50 0C 37 -13,-1.6 -13,-3.0 -2,-0.1 2,-0.6 -0.979 9.3-163.7-139.0 121.6 45.8 13.7 26.2 64 82 A F E +N 49 0C 74 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.965 17.7 171.3-112.3 116.9 45.2 17.4 26.8 65 83 A I E -N 48 0C 19 -17,-2.8 -17,-3.4 -2,-0.6 2,-0.1 -0.992 28.2-126.7-131.0 135.6 41.4 18.2 26.4 66 84 A S E -N 47 0C 54 -2,-0.4 25,-3.0 -19,-0.3 26,-0.4 -0.473 27.4-111.8 -80.2 156.5 39.7 21.4 27.2 67 85 A A E -O 90 0C 22 -21,-2.2 23,-0.3 23,-0.2 3,-0.1 -0.621 19.8-165.8 -85.3 144.0 36.6 21.4 29.5 68 86 A S E S- 0 0 66 21,-2.9 2,-0.3 1,-0.4 22,-0.2 0.691 74.0 -0.1-100.3 -30.0 33.3 22.3 27.8 69 87 A K E -O 89 0C 84 20,-1.1 20,-2.9 2,-0.0 -1,-0.4 -0.978 56.2-152.1-159.7 155.2 31.5 22.9 31.1 70 88 A S E -O 88 0C 44 -2,-0.3 2,-0.4 18,-0.2 18,-0.2 -0.968 8.5-166.2-129.0 140.2 32.0 22.8 34.9 71 89 A I E -O 87 0C 37 16,-2.6 16,-2.5 -2,-0.4 2,-0.3 -0.956 5.8-160.5-133.1 109.1 29.2 22.1 37.4 72 90 A V E -O 86 0C 49 -2,-0.4 14,-0.2 14,-0.2 12,-0.1 -0.669 42.8 -86.8 -86.8 144.7 30.0 22.9 41.1 73 91 A H > - 0 0 20 12,-2.1 3,-1.9 -2,-0.3 -1,-0.1 -0.214 35.5-123.6 -51.3 136.2 27.7 21.1 43.6 74 92 A P T 3 S+ 0 0 97 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.796 110.0 42.6 -54.3 -30.3 24.4 23.2 44.1 75 93 A S T 3 S+ 0 0 71 8,-0.1 2,-0.1 2,-0.1 -2,-0.1 0.129 77.7 141.7-106.4 22.3 25.1 23.3 47.9 76 94 A Y < - 0 0 55 -3,-1.9 2,-0.5 9,-0.1 7,-0.2 -0.438 32.6-163.7 -65.3 134.6 28.8 24.0 47.9 77 95 A N B >> -P 82 0D 65 5,-1.9 4,-2.1 -2,-0.1 5,-0.6 -0.969 7.4-163.2-119.4 108.9 29.7 26.4 50.8 78 96 A S T 45S+ 0 0 78 -2,-0.5 -1,-0.1 1,-0.2 -2,-0.0 0.630 86.4 60.5 -72.3 -9.6 33.2 27.9 50.2 79 97 A N T 45S+ 0 0 145 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.892 123.1 17.0 -83.7 -37.8 33.4 29.0 53.9 80 98 A T T 45S- 0 0 69 -3,-0.4 -2,-0.2 2,-0.1 3,-0.1 0.533 96.4-128.8-106.0 -14.6 33.1 25.5 55.4 81 99 A L T ><5 + 0 0 33 -4,-2.1 3,-0.7 1,-0.3 2,-0.2 0.683 49.8 161.1 69.7 25.6 34.0 23.5 52.3 82 100 A N B 3 < +P 77 0D 34 -5,-0.6 -5,-1.9 1,-0.2 -1,-0.3 -0.580 66.0 17.0 -75.2 138.2 30.8 21.4 52.8 83 101 A N T 3 S+ 0 0 17 -2,-0.2 2,-1.9 -7,-0.2 -10,-0.3 0.908 80.9 178.1 64.8 48.4 29.8 19.6 49.5 84 102 A D < + 0 0 0 -3,-0.7 2,-0.3 75,-0.2 123,-0.2 -0.513 34.0 109.2 -84.5 76.1 33.3 20.2 48.0 85 103 A I + 0 0 0 -2,-1.9 -12,-2.1 -47,-0.3 2,-0.3 -0.991 37.5 177.4-148.8 147.1 32.8 18.4 44.7 86 104 A M E -MO 37 72C 0 -49,-2.2 -49,-2.5 -2,-0.3 2,-0.4 -0.982 20.0-136.2-149.7 154.5 32.4 19.5 41.0 87 105 A L E -MO 36 71C 0 -16,-2.5 -16,-2.6 -2,-0.3 2,-0.4 -0.897 13.2-161.9-114.6 142.0 32.1 17.8 37.7 88 106 A I E -MO 35 70C 0 -53,-2.6 -53,-2.4 -2,-0.4 2,-0.4 -0.998 7.8-149.9-126.7 126.7 34.0 18.8 34.5 89 107 A K E -MO 34 69C 39 -20,-2.9 -21,-2.9 -2,-0.4 -20,-1.1 -0.825 17.4-128.9-100.3 138.4 32.8 17.8 31.1 90 108 A L E - 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