==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 06-MAR-03 1O3N . COMPND 2 MOLECULE: BETA-TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR B.A.KATZ,K.ELROD,E.VERNER,R.L.MACKMAN,C.LUONG,W.D.SHRADER, . 223 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9121.0 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 . 69 30.9 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 . 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 . 15 6.7 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 2 2 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,-0.3 0.000 360.0 360.0 360.0 128.0 53.0 -3.7 25.0 2 17 A V B +A 171 0A 9 169,-2.7 169,-2.0 1,-0.2 123,-0.1 -0.885 360.0 9.8-106.4 136.3 53.0 -7.4 23.9 3 18 A G S S+ 0 0 49 121,-0.5 -1,-0.2 -2,-0.4 2,-0.1 0.681 102.3 121.7 70.5 19.6 55.1 -8.3 20.8 4 19 A G - 0 0 31 -3,-0.3 2,-0.3 167,-0.1 134,-0.2 -0.172 55.1-121.4-100.1-166.1 56.8 -4.9 20.7 5 20 A Y E -B 137 0B 92 132,-2.4 132,-2.8 -3,-0.1 2,-0.4 -0.896 34.6 -84.9-135.0 165.7 60.5 -3.9 20.9 6 21 A T E -B 136 0B 71 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.580 36.1-150.6 -71.7 123.0 62.6 -1.7 23.2 7 22 A a - 0 0 17 128,-2.1 -1,-0.2 -2,-0.4 129,-0.1 0.886 36.0-114.3 -63.9 -41.8 62.3 1.8 21.9 8 23 A G > - 0 0 28 127,-0.5 3,-1.6 -3,-0.1 4,-0.3 0.088 48.8 -56.6 111.8 136.7 65.7 3.0 23.0 9 24 A A T 3 S- 0 0 57 1,-0.2 44,-0.1 2,-0.1 43,-0.1 -0.175 118.7 -9.1 -51.4 131.6 66.1 5.7 25.7 10 25 A N T 3 S+ 0 0 31 42,-0.4 -1,-0.2 2,-0.2 43,-0.1 0.684 90.1 124.9 51.3 32.1 64.3 9.0 24.9 11 26 A T S < S+ 0 0 81 -3,-1.6 -2,-0.1 1,-0.3 -1,-0.1 0.593 78.8 47.7 -87.6 -14.0 63.4 8.1 21.3 12 27 A V S > S+ 0 0 8 -4,-0.3 3,-1.7 1,-0.1 -1,-0.3 -0.720 74.6 173.4-123.9 75.9 59.8 8.8 22.2 13 28 A P T 3 S+ 0 0 29 0, 0.0 88,-1.3 0, 0.0 38,-0.3 0.635 72.0 57.0 -69.0 -13.6 60.3 12.2 23.9 14 29 A Y T 3 S+ 0 0 21 86,-0.2 15,-2.2 88,-0.1 2,-0.2 0.471 80.7 109.3 -94.8 -5.5 56.6 13.0 24.4 15 30 A Q E < -J 28 0C 6 -3,-1.7 36,-0.5 13,-0.2 37,-0.4 -0.530 47.9-174.8 -72.1 132.9 55.9 9.8 26.3 16 31 A V E -J 27 0C 0 11,-2.3 11,-1.1 -2,-0.2 2,-0.4 -0.887 19.1-140.0-125.2 159.3 55.2 10.5 30.1 17 32 A S E -JK 26 49C 1 32,-2.1 32,-2.8 -2,-0.3 2,-0.6 -0.960 14.8-142.0-115.8 134.6 54.6 7.9 32.9 18 33 A L E -JK 25 48C 0 7,-3.0 6,-2.3 -2,-0.4 7,-1.1 -0.891 26.7-169.1 -99.7 125.6 51.9 8.8 35.4 19 34 A N E +JK 23 47C 17 28,-2.9 28,-2.1 -2,-0.6 4,-0.2 -0.968 31.9 169.3-122.7 133.0 53.2 7.8 38.9 20 37 A S S S- 0 0 37 2,-2.2 3,-0.1 -2,-0.4 26,-0.1 -0.322 96.5 -48.5-129.9 43.2 51.4 7.5 42.3 21 38 A G S S+ 0 0 71 1,-0.1 2,-0.3 26,-0.1 -2,-0.1 0.421 140.6 32.4 102.6 -0.7 54.2 5.6 44.0 22 39 A Y S S- 0 0 134 -4,-0.0 -2,-2.2 0, 0.0 2,-0.4 -0.915 102.8 -85.3-172.7 159.1 54.4 3.2 41.1 23 40 A H E +J 19 0C 30 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.617 51.0 159.0 -75.9 126.9 53.8 3.6 37.3 24 41 A F E + 0 0 30 -6,-2.3 2,-0.3 1,-0.4 151,-0.3 0.607 58.9 4.2-126.0 -21.3 50.0 3.1 36.6 25 42 A b E -J 18 0C 7 -7,-1.1 -7,-3.0 151,-0.1 -1,-0.4 -0.979 61.4-124.5-156.9 168.1 49.3 4.8 33.1 26 43 A G E +J 17 0C 2 151,-2.9 12,-0.4 -2,-0.3 2,-0.3 -0.451 25.7 178.3-106.4 179.1 51.0 6.6 30.2 27 44 A G E -J 16 0C 0 -11,-1.1 -11,-2.3 -2,-0.2 2,-0.4 -0.959 24.7-116.2-170.4 172.9 50.3 10.0 28.8 28 45 A S E -JL 15 36C 1 8,-2.3 8,-2.3 -2,-0.3 2,-0.5 -0.985 19.9-130.7-127.1 134.0 51.5 12.4 26.0 29 46 A L E + L 0 35C 0 -15,-2.2 74,-1.9 -2,-0.4 6,-0.2 -0.724 28.4 172.9 -81.6 122.4 53.1 15.8 26.6 30 47 A I E - 0 0 19 4,-2.2 2,-0.3 -2,-0.5 5,-0.2 0.619 68.9 -5.2-108.2 -15.7 51.3 18.3 24.2 31 48 A N E > S- L 0 34C 47 3,-1.2 3,-0.7 70,-0.1 -1,-0.3 -0.923 92.5 -81.6-159.1 175.7 52.8 21.6 25.4 32 49 A S T 3 S+ 0 0 45 -2,-0.3 62,-2.9 1,-0.2 60,-0.1 0.687 126.9 30.5 -66.4 -13.1 55.2 22.4 28.3 33 50 A Q T 3 S+ 0 0 61 60,-0.2 57,-2.9 1,-0.1 2,-0.4 0.396 110.5 68.6-123.8 4.4 52.5 22.5 30.9 34 51 A W E < -LM 31 89C 10 -3,-0.7 -4,-2.2 55,-0.2 -3,-1.2 -0.975 48.3-174.9-132.0 142.9 49.8 20.0 29.7 35 52 A V E -LM 29 88C 0 53,-2.3 53,-2.4 -2,-0.4 2,-0.4 -0.945 15.6-145.4-125.8 146.5 49.6 16.2 29.2 36 53 A V E +LM 28 87C 0 -8,-2.3 -8,-2.3 -2,-0.3 2,-0.2 -0.933 33.3 147.5-114.4 138.8 46.8 14.2 27.6 37 54 A S E - M 0 86C 0 49,-2.6 49,-2.3 -2,-0.4 2,-0.3 -0.730 51.0 -66.4-147.6-164.8 45.9 10.7 29.0 38 55 A A > - 0 0 0 -12,-0.4 3,-2.0 47,-0.3 47,-0.3 -0.761 32.0-130.8 -98.9 143.6 42.8 8.6 29.4 39 56 A A G > S+ 0 0 3 -2,-0.3 3,-1.7 1,-0.3 -1,-0.1 0.830 107.8 64.5 -61.4 -31.7 40.0 9.6 31.8 40 57 A H G 3 S+ 0 0 66 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.581 93.8 62.6 -71.0 -3.4 40.0 6.0 33.2 41 58 A b G < S+ 0 0 4 -3,-2.0 -1,-0.3 -15,-0.0 -2,-0.2 0.388 78.1 128.0 -96.5 0.3 43.6 6.8 34.5 42 59 A Y < + 0 0 122 -3,-1.7 2,-0.3 -4,-0.2 -3,-0.0 -0.252 21.7 130.8 -59.7 142.0 42.2 9.6 36.7 43 60 A K - 0 0 56 3,-0.0 3,-0.2 0, 0.0 2,-0.2 -0.925 54.4-100.7-175.4 166.3 43.2 9.6 40.5 44 61 A S S S+ 0 0 97 -2,-0.3 25,-0.0 1,-0.2 0, 0.0 -0.557 96.1 49.3 -96.1 167.1 44.5 12.2 42.9 45 62 A G S S+ 0 0 68 1,-0.2 2,-0.4 -2,-0.2 -1,-0.2 0.919 72.5 166.5 75.0 42.1 48.2 12.3 43.8 46 63 A I - 0 0 10 -3,-0.2 21,-2.1 21,-0.1 2,-0.5 -0.764 20.8-170.2 -96.3 134.5 49.6 12.1 40.3 47 64 A Q E -KN 19 66C 51 -28,-2.1 -28,-2.9 -2,-0.4 2,-0.5 -0.981 18.2-142.2-117.7 130.6 53.3 12.9 39.7 48 65 A V E -KN 18 65C 0 17,-3.1 17,-2.5 -2,-0.5 2,-0.6 -0.838 11.9-157.1 -95.6 129.1 54.1 13.2 35.9 49 65AA R E -KN 17 64C 48 -32,-2.8 -32,-2.1 -2,-0.5 3,-0.3 -0.942 12.7-175.8-115.3 116.4 57.5 11.7 35.0 50 66 A L E + N 0 63C 2 13,-2.7 13,-2.0 -2,-0.6 -34,-0.1 -0.680 62.2 29.5-105.7 157.3 59.0 13.0 31.7 51 69 A G S S+ 0 0 6 -36,-0.5 -1,-0.2 -38,-0.3 2,-0.2 0.721 86.0 153.4 64.7 25.4 62.3 11.9 30.0 52 70 A E + 0 0 10 -37,-0.4 -42,-0.4 -3,-0.3 -1,-0.2 -0.485 21.2 149.7 -86.0 154.5 61.9 8.4 31.4 53 71 A D S S+ 0 0 17 1,-0.3 2,-0.8 4,-0.2 82,-0.5 0.263 78.8 34.8-143.7 -68.7 63.2 5.2 29.9 54 72 A N S > S- 0 0 20 3,-0.2 3,-1.0 80,-0.2 -1,-0.3 -0.852 72.6-162.6 -93.6 110.6 63.9 2.8 32.8 55 73 A I T 3 S+ 0 0 26 78,-2.3 -1,-0.1 -2,-0.8 79,-0.1 0.589 84.6 52.6 -71.4 -9.0 61.1 3.7 35.4 56 74 A N T 3 S+ 0 0 110 77,-0.2 2,-0.4 1,-0.1 -1,-0.2 0.510 106.7 54.6-103.6 -4.1 62.9 2.0 38.3 57 75 A V S < S- 0 0 68 -3,-1.0 2,-0.6 76,-0.2 -4,-0.2 -0.993 72.9-135.6-128.6 133.6 66.2 3.8 38.0 58 76 A V + 0 0 113 -2,-0.4 3,-0.1 1,-0.2 -3,-0.1 -0.769 37.9 158.4 -86.4 125.0 67.1 7.5 37.9 59 77 A E - 0 0 113 -2,-0.6 -1,-0.2 1,-0.3 2,-0.1 0.390 58.0 -83.7-125.0 -5.2 69.7 7.7 34.9 60 78 A G S S+ 0 0 35 -9,-0.0 -1,-0.3 0, 0.0 3,-0.1 -0.136 103.0 66.3 110.3 152.2 69.5 11.3 34.0 61 79 A N S S+ 0 0 78 1,-0.3 2,-0.2 -2,-0.1 -9,-0.1 0.222 70.8 130.5 85.6 -7.8 67.0 13.3 31.7 62 80 A E - 0 0 33 -13,-0.0 2,-0.4 2,-0.0 -1,-0.3 -0.467 37.3-171.6 -78.3 145.9 64.1 12.7 34.0 63 81 A Q E -N 50 0C 36 -13,-2.0 -13,-2.7 -2,-0.2 2,-0.6 -0.990 5.7-163.2-133.7 122.4 61.9 15.6 35.2 64 82 A F E +N 49 0C 80 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.955 17.2 170.9-109.3 119.0 59.3 14.7 37.9 65 83 A I E -N 48 0C 14 -17,-2.5 -17,-3.1 -2,-0.6 2,-0.1 -0.994 30.2-123.8-130.2 135.6 56.5 17.4 38.2 66 84 A S E -N 47 0C 50 -2,-0.4 25,-3.0 -19,-0.2 26,-0.3 -0.426 29.9-111.0 -76.7 154.5 53.3 17.1 40.2 67 85 A A E -O 90 0C 22 -21,-2.1 23,-0.3 23,-0.2 -21,-0.1 -0.669 20.2-161.4 -81.8 136.8 50.0 17.5 38.4 68 86 A S E S- 0 0 78 21,-3.1 2,-0.3 1,-0.4 22,-0.2 0.867 74.0 -13.5 -88.3 -42.7 48.2 20.8 39.4 69 87 A K E -O 89 0C 91 20,-1.1 20,-2.5 2,-0.0 2,-0.4 -0.987 56.1-145.4-154.1 157.4 44.7 19.6 38.1 70 88 A S E -O 88 0C 31 -2,-0.3 2,-0.6 18,-0.2 18,-0.2 -0.988 12.5-158.2-125.5 134.6 43.3 16.8 36.0 71 89 A I E -O 87 0C 33 16,-3.0 16,-2.1 -2,-0.4 2,-0.3 -0.938 5.9-160.7-118.4 105.8 40.2 17.5 33.8 72 90 A V E -O 86 0C 45 -2,-0.6 14,-0.2 14,-0.2 12,-0.1 -0.647 40.1 -92.4 -83.4 143.9 38.3 14.4 32.8 73 91 A H > - 0 0 24 12,-2.0 3,-1.9 10,-0.3 -1,-0.1 -0.351 34.1-129.7 -55.6 132.2 36.0 14.9 29.8 74 92 A P T 3 S+ 0 0 109 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.770 107.4 48.5 -58.5 -27.2 32.5 16.0 31.2 75 93 A S T 3 S+ 0 0 75 2,-0.1 2,-0.2 8,-0.1 -2,-0.1 0.132 78.0 136.7-101.1 20.8 30.8 13.3 29.1 76 94 A Y < - 0 0 56 -3,-1.9 2,-0.5 9,-0.1 7,-0.2 -0.513 38.9-159.8 -67.2 134.4 33.2 10.5 30.0 77 95 A N B >> -P 82 0D 64 5,-1.8 4,-2.5 -2,-0.2 5,-0.6 -0.976 7.8-160.6-118.2 112.2 31.2 7.3 30.6 78 96 A S T 45S+ 0 0 81 -2,-0.5 -1,-0.1 1,-0.2 -2,-0.0 0.685 88.5 55.8 -70.1 -16.4 33.1 4.7 32.7 79 97 A N T 45S+ 0 0 147 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.861 124.7 20.6 -85.6 -34.2 30.8 1.8 31.6 80 98 A T T 45S- 0 0 67 -3,-0.3 -2,-0.2 2,-0.1 77,-0.1 0.642 94.1-133.9-105.1 -16.9 31.4 2.3 27.9 81 99 A L T ><5 + 0 0 31 -4,-2.5 3,-0.8 1,-0.3 2,-0.2 0.703 48.0 158.9 69.0 26.9 34.6 4.3 28.0 82 100 A N B 3 < +P 77 0D 36 -5,-0.6 -5,-1.8 1,-0.3 -1,-0.3 -0.594 67.3 19.0 -75.7 144.1 33.2 6.7 25.5 83 101 A N T 3 S+ 0 0 19 -2,-0.2 2,-2.0 -7,-0.2 -10,-0.3 0.913 80.8 173.9 60.7 46.6 35.0 10.1 25.7 84 102 A D < + 0 0 0 -3,-0.8 2,-0.3 75,-0.2 -1,-0.2 -0.491 32.8 114.5 -82.8 73.3 38.0 8.3 27.5 85 103 A I - 0 0 0 -2,-2.0 -12,-2.0 -47,-0.3 2,-0.3 -0.997 37.8-179.7-144.0 146.2 40.3 11.4 27.5 86 104 A M E -MO 37 72C 0 -49,-2.3 -49,-2.6 -2,-0.3 2,-0.4 -0.992 16.5-146.1-146.6 144.4 41.7 13.6 30.3 87 105 A L E -MO 36 71C 0 -16,-2.1 -16,-3.0 -2,-0.3 2,-0.4 -0.874 11.8-162.5-110.7 142.2 44.0 16.7 30.4 88 106 A I E -MO 35 70C 0 -53,-2.4 -53,-2.3 -2,-0.4 2,-0.4 -0.997 7.3-151.2-126.0 130.0 46.5 17.1 33.3 89 107 A K E -MO 34 69C 44 -20,-2.5 -21,-3.1 -2,-0.4 -20,-1.1 -0.830 21.7-127.4 -99.1 138.9 48.0 20.6 33.8 90 108 A L E - O 0 67C 1 -57,-2.9 -23,-0.2 -2,-0.4 -24,-0.1 -0.619 10.8-125.8 -88.6 149.3 51.5 20.4 35.4 91 109 A K S S+ 0 0 141 -25,-3.0 2,-0.3 -2,-0.2 -1,-0.1 0.867 98.1 9.8 -60.7 -39.3 52.4 22.4 38.6 92 110 A S S S- 0 0 65 -26,-0.3 -1,-0.1 -60,-0.1 2,-0.1 -0.957 95.7 -92.1-136.8 157.9 55.4 24.0 36.7 93 111 A A - 0 0 50 -2,-0.3 -60,-0.2 1,-0.1 2,-0.1 -0.416 39.4-119.1 -72.4 148.6 56.3 23.8 33.0 94 112 A A - 0 0 8 -62,-2.9 2,-0.7 -63,-0.1 -1,-0.1 -0.446 23.9-115.0 -80.0 158.0 58.6 21.1 31.8 95 113 A S - 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