==== 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 1O3B . 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) . 9180.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 134 60.1 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 . 16 7.2 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,-0.2 0.000 360.0 360.0 360.0 127.5 52.9 -3.7 25.4 2 17 A V B +A 171 0A 12 169,-2.9 169,-1.8 1,-0.2 123,-0.1 -0.892 360.0 7.4-107.8 136.4 52.8 -7.4 24.4 3 18 A G S S+ 0 0 46 121,-0.5 -1,-0.2 -2,-0.4 2,-0.1 0.653 102.3 120.1 68.6 19.4 55.0 -8.4 21.4 4 19 A G - 0 0 32 -3,-0.2 2,-0.3 167,-0.1 134,-0.2 -0.136 56.6-119.9 -97.8-164.7 56.6 -5.0 21.1 5 20 A Y E -B 137 0B 93 132,-2.6 132,-2.8 -3,-0.1 2,-0.5 -0.890 34.6 -81.9-135.3 167.2 60.3 -3.9 21.3 6 21 A T E -B 136 0B 74 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.571 36.0-148.8 -73.0 118.5 62.4 -1.7 23.5 7 22 A a - 0 0 17 128,-1.7 -1,-0.2 -2,-0.5 129,-0.1 0.868 35.6-115.8 -55.6 -44.1 62.0 1.8 22.2 8 23 A G > - 0 0 27 127,-0.5 3,-1.9 4,-0.0 4,-0.2 0.090 49.4 -54.2 110.4 138.1 65.4 3.1 23.1 9 24 A A T 3 S- 0 0 57 1,-0.3 44,-0.1 2,-0.1 43,-0.0 -0.167 118.8 -11.4 -51.8 122.1 65.9 5.9 25.6 10 25 A N T 3 S+ 0 0 38 42,-0.4 -1,-0.3 2,-0.1 43,-0.1 0.691 89.4 128.6 61.1 27.0 64.0 9.0 24.9 11 26 A T S < S+ 0 0 81 -3,-1.9 -2,-0.1 1,-0.3 -1,-0.1 0.552 76.0 47.8 -84.5 -6.7 63.0 8.0 21.3 12 27 A V S > S+ 0 0 8 -4,-0.2 3,-2.3 87,-0.1 -1,-0.3 -0.632 73.6 174.3-129.4 67.3 59.4 8.8 22.2 13 28 A P T 3 S+ 0 0 33 0, 0.0 88,-1.7 0, 0.0 38,-0.3 0.548 71.8 57.8 -61.4 -10.0 59.9 12.3 23.7 14 29 A Y T 3 S+ 0 0 21 86,-0.2 15,-2.5 88,-0.1 2,-0.3 0.463 80.7 109.7 -99.7 -1.1 56.2 13.1 24.1 15 30 A Q E < -J 28 0C 7 -3,-2.3 36,-0.4 13,-0.2 37,-0.4 -0.555 47.1-175.3 -75.1 132.6 55.5 10.0 26.3 16 31 A V E -J 27 0C 0 11,-2.0 11,-1.1 -2,-0.3 2,-0.4 -0.904 20.0-138.2-128.1 158.7 54.7 10.7 29.9 17 32 A S E -JK 26 49C 0 32,-2.1 32,-2.8 -2,-0.3 2,-0.6 -0.937 15.5-140.5-113.6 135.5 54.1 8.4 32.9 18 33 A L E -JK 25 48C 0 7,-2.8 6,-2.4 -2,-0.4 7,-1.0 -0.891 29.5-167.4-100.2 126.7 51.3 9.3 35.3 19 34 A N E +JK 23 47C 18 28,-2.9 28,-2.4 -2,-0.6 4,-0.2 -0.961 36.2 162.8-124.5 137.7 52.6 8.6 38.8 20 37 A S S S- 0 0 37 2,-2.1 3,-0.1 -2,-0.4 26,-0.1 -0.393 97.4 -47.9-140.5 47.2 51.0 8.3 42.3 21 38 A G S S+ 0 0 72 1,-0.1 2,-0.3 26,-0.1 -2,-0.1 0.351 138.8 30.8 100.6 -8.9 53.8 6.4 44.0 22 39 A Y S S- 0 0 130 -4,-0.0 -2,-2.1 0, 0.0 2,-0.5 -0.930 101.3 -85.0-165.9 166.2 53.9 3.9 41.1 23 40 A H E +J 19 0C 30 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.705 49.0 160.7 -83.0 125.2 53.2 4.2 37.3 24 41 A F E + 0 0 31 -6,-2.4 2,-0.3 -2,-0.5 151,-0.2 0.592 60.2 1.0-124.0 -15.2 49.5 3.7 36.7 25 42 A b E -J 18 0C 7 -7,-1.0 -7,-2.8 151,-0.1 -1,-0.4 -0.975 61.7-124.9-162.9 165.7 48.9 5.2 33.1 26 43 A G E +J 17 0C 1 151,-2.7 12,-0.4 -2,-0.3 2,-0.3 -0.440 26.0 179.5-106.4-177.6 50.7 6.9 30.2 27 44 A G E -J 16 0C 0 -11,-1.1 -11,-2.0 -2,-0.2 2,-0.4 -0.955 23.7-114.9-170.0 175.6 49.9 10.2 28.5 28 45 A S E -JL 15 36C 2 8,-2.2 8,-2.3 -2,-0.3 2,-0.6 -0.993 18.2-132.0-130.0 134.8 51.1 12.5 25.7 29 46 A L E + L 0 35C 1 -15,-2.5 74,-1.9 -2,-0.4 6,-0.2 -0.742 26.8 173.9 -82.9 120.6 52.6 15.9 26.1 30 47 A I E - 0 0 20 4,-2.1 2,-0.3 -2,-0.6 5,-0.2 0.513 69.8 -8.0-107.2 -6.4 50.8 18.2 23.5 31 48 A N E > S- L 0 34C 47 3,-1.1 3,-0.5 70,-0.1 -1,-0.2 -0.921 92.2 -78.2-166.8 179.7 52.4 21.5 24.6 32 49 A S T 3 S+ 0 0 45 -2,-0.3 62,-2.7 1,-0.2 60,-0.1 0.649 126.2 29.7 -71.0 -12.9 54.7 22.6 27.5 33 50 A Q T 3 S+ 0 0 62 60,-0.2 57,-2.5 1,-0.1 2,-0.4 0.337 110.6 67.9-124.3 5.2 51.9 22.8 30.1 34 51 A W E < -LM 31 89C 10 -3,-0.5 -4,-2.1 55,-0.2 -3,-1.1 -0.992 48.8-173.5-136.0 142.5 49.3 20.2 29.0 35 52 A V E -LM 29 88C 0 53,-2.3 53,-2.7 -2,-0.4 2,-0.4 -0.876 15.5-144.2-122.7 151.9 49.1 16.4 28.7 36 53 A V E +LM 28 87C 1 -8,-2.3 -8,-2.2 -2,-0.3 2,-0.2 -0.969 33.2 148.5-120.5 134.7 46.3 14.3 27.1 37 54 A S E - M 0 86C 0 49,-2.9 49,-2.5 -2,-0.4 2,-0.3 -0.748 49.8 -68.0-145.6-168.0 45.5 10.9 28.7 38 55 A A > - 0 0 0 -12,-0.4 3,-1.7 47,-0.3 47,-0.3 -0.702 33.6-130.9 -95.1 144.1 42.4 8.7 29.2 39 56 A A G > S+ 0 0 3 -2,-0.3 3,-1.7 1,-0.3 -1,-0.1 0.842 106.0 61.7 -61.9 -33.2 39.6 9.7 31.4 40 57 A H G 3 S+ 0 0 67 1,-0.3 -1,-0.3 41,-0.1 44,-0.0 0.537 92.4 66.7 -74.5 0.2 39.5 6.4 33.2 41 58 A b G < S+ 0 0 4 -3,-1.7 -1,-0.3 2,-0.0 -2,-0.2 0.438 77.0 129.1 -95.4 0.8 43.1 7.1 34.4 42 59 A Y < + 0 0 125 -3,-1.7 2,-0.3 -4,-0.1 -3,-0.0 -0.297 20.3 129.7 -61.6 135.6 41.7 10.0 36.5 43 60 A K - 0 0 58 -2,-0.0 2,-0.2 0, 0.0 3,-0.2 -0.931 53.6 -99.9-166.7 174.4 42.7 10.2 40.2 44 61 A S S S+ 0 0 95 -2,-0.3 25,-0.0 1,-0.2 0, 0.0 -0.684 95.1 48.6-105.3 163.1 44.1 12.9 42.5 45 62 A G S S+ 0 0 65 -2,-0.2 2,-0.5 1,-0.2 -1,-0.2 0.945 73.1 166.7 74.7 48.7 47.7 13.1 43.5 46 63 A I - 0 0 10 -3,-0.2 21,-2.2 21,-0.1 2,-0.5 -0.849 20.4-170.3-102.7 131.9 49.1 12.8 40.0 47 64 A Q E -KN 19 66C 53 -28,-2.4 -28,-2.9 -2,-0.5 2,-0.5 -0.975 17.9-141.6-117.3 130.4 52.7 13.6 39.3 48 65 A V E -KN 18 65C 0 17,-3.4 17,-2.7 -2,-0.5 2,-0.6 -0.822 12.3-156.4 -96.4 130.0 53.5 13.7 35.6 49 65AA R E -KN 17 64C 47 -32,-2.8 -32,-2.1 -2,-0.5 3,-0.3 -0.942 13.0-176.2-117.2 114.9 56.9 12.2 34.8 50 66 A L E + N 0 63C 2 13,-2.8 13,-1.7 -2,-0.6 -34,-0.1 -0.607 59.2 31.0-102.6 159.7 58.5 13.4 31.6 51 69 A G S S+ 0 0 7 -36,-0.4 2,-0.2 -38,-0.3 -1,-0.2 0.706 84.3 150.9 62.4 28.9 61.9 12.3 29.9 52 70 A E + 0 0 12 -37,-0.4 -42,-0.4 -3,-0.3 -1,-0.2 -0.497 25.8 151.6 -91.9 156.4 61.7 8.8 31.2 53 71 A D S S+ 0 0 16 1,-0.4 2,-0.8 4,-0.2 -1,-0.2 0.203 82.7 34.6-139.9 -79.3 63.0 5.5 30.0 54 72 A N S > S- 0 0 21 80,-0.2 3,-0.9 1,-0.1 -1,-0.4 -0.736 73.2-162.8 -79.7 112.6 63.6 3.3 33.1 55 73 A I T 3 S+ 0 0 27 78,-2.5 -1,-0.1 -2,-0.8 79,-0.1 0.507 85.8 52.9 -77.6 -1.5 60.7 4.5 35.4 56 74 A N T 3 S+ 0 0 113 77,-0.2 2,-0.4 1,-0.1 -1,-0.2 0.454 106.1 55.1-108.0 -6.1 62.4 2.9 38.5 57 75 A V S < S- 0 0 73 -3,-0.9 2,-0.8 76,-0.2 -4,-0.2 -0.990 76.6-132.3-126.9 137.3 65.9 4.6 38.1 58 76 A V + 0 0 115 -2,-0.4 3,-0.1 1,-0.2 -3,-0.1 -0.790 36.2 165.1 -88.2 115.4 66.6 8.4 37.8 59 77 A E - 0 0 112 -2,-0.8 -1,-0.2 1,-0.3 2,-0.1 0.558 55.0 -90.1-107.9 -12.4 69.0 8.3 34.7 60 78 A G S S+ 0 0 34 -9,-0.0 -1,-0.3 0, 0.0 3,-0.1 -0.223 102.5 69.7 112.8 156.0 68.9 12.1 33.9 61 79 A N + 0 0 67 1,-0.3 2,-0.1 -2,-0.1 -9,-0.1 0.159 68.9 131.0 87.6 -11.0 66.4 13.9 31.6 62 80 A E - 0 0 33 -13,-0.0 2,-0.4 -11,-0.0 -1,-0.3 -0.404 36.7-171.6 -74.1 149.1 63.5 13.4 33.9 63 81 A Q E -N 50 0C 33 -13,-1.7 -13,-2.8 -2,-0.1 2,-0.6 -0.983 7.0-161.9-137.8 124.6 61.2 16.3 34.9 64 82 A F E +N 49 0C 79 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.975 18.5 170.8-113.3 116.6 58.7 15.4 37.6 65 83 A I E -N 48 0C 16 -17,-2.7 -17,-3.4 -2,-0.6 2,-0.2 -0.964 29.6-124.4-128.5 144.8 55.8 18.0 37.6 66 84 A S E -N 47 0C 48 -2,-0.4 25,-3.0 -19,-0.2 26,-0.3 -0.617 28.8-112.6 -88.4 152.0 52.6 17.9 39.6 67 85 A A E -O 90 0C 23 -21,-2.2 23,-0.3 23,-0.2 -21,-0.1 -0.625 19.2-161.6 -78.1 137.1 49.3 18.2 37.8 68 86 A S E S- 0 0 78 21,-3.0 2,-0.3 1,-0.4 22,-0.2 0.812 74.7 -13.0 -90.5 -36.6 47.5 21.5 38.6 69 87 A K E -O 89 0C 91 20,-1.2 20,-3.0 2,-0.0 2,-0.4 -0.972 56.6-145.3-159.9 154.4 44.1 20.1 37.4 70 88 A S E -O 88 0C 31 -2,-0.3 2,-0.6 18,-0.2 18,-0.2 -0.990 13.0-156.5-124.3 131.9 42.8 17.2 35.3 71 89 A I E -O 87 0C 33 16,-2.9 16,-2.1 -2,-0.4 2,-0.3 -0.932 6.3-161.1-114.7 104.6 39.7 17.8 33.1 72 90 A V E -O 86 0C 45 -2,-0.6 14,-0.2 14,-0.2 12,-0.1 -0.626 39.6 -93.8 -82.2 143.8 37.8 14.6 32.3 73 91 A H > - 0 0 22 12,-1.8 3,-2.3 10,-0.3 -1,-0.1 -0.388 33.4-129.9 -57.5 129.7 35.6 15.0 29.2 74 92 A P T 3 S+ 0 0 109 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.744 107.5 48.7 -56.3 -25.3 32.1 16.0 30.6 75 93 A S T 3 S+ 0 0 75 8,-0.1 -2,-0.1 2,-0.1 2,-0.1 0.150 77.5 138.8-102.6 18.5 30.4 13.3 28.6 76 94 A Y < - 0 0 57 -3,-2.3 2,-0.5 9,-0.1 7,-0.2 -0.425 37.5-160.0 -62.1 136.6 32.8 10.5 29.7 77 95 A N B >> -P 82 0D 62 5,-1.9 4,-2.5 1,-0.1 5,-0.5 -0.978 7.3-162.4-120.4 113.9 30.8 7.3 30.3 78 96 A S T 45S+ 0 0 81 -2,-0.5 -1,-0.1 1,-0.2 -2,-0.0 0.652 87.3 56.9 -74.8 -12.0 32.6 4.9 32.5 79 97 A N T 45S+ 0 0 149 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.845 124.4 20.0 -85.2 -34.9 30.4 2.0 31.6 80 98 A T T 45S- 0 0 67 -3,-0.2 -2,-0.2 2,-0.1 3,-0.1 0.691 94.2-132.8-102.5 -24.1 31.1 2.2 27.8 81 99 A L T ><5 + 0 0 31 -4,-2.5 3,-0.8 1,-0.3 2,-0.2 0.636 48.6 159.3 74.1 24.5 34.3 4.3 27.9 82 100 A N B 3 < +P 77 0D 34 -5,-0.5 -5,-1.9 1,-0.3 -1,-0.3 -0.590 66.3 19.0 -74.7 139.3 32.9 6.5 25.3 83 101 A N T 3 S+ 0 0 20 -2,-0.2 2,-2.1 -7,-0.2 -10,-0.3 0.880 80.0 172.8 66.7 44.0 34.7 9.9 25.4 84 102 A D < + 0 0 0 -3,-0.8 2,-0.3 75,-0.2 -1,-0.2 -0.455 32.2 113.0 -83.7 74.8 37.7 8.4 27.2 85 103 A I - 0 0 0 -2,-2.1 -12,-1.8 -47,-0.3 2,-0.3 -0.993 38.6-177.8-143.8 147.0 40.0 11.4 27.1 86 104 A M E -MO 37 72C 0 -49,-2.5 -49,-2.9 -2,-0.3 2,-0.4 -0.988 16.1-144.9-145.5 145.8 41.3 13.7 29.8 87 105 A L E -MO 36 71C 0 -16,-2.1 -16,-2.9 -2,-0.3 2,-0.5 -0.895 12.4-159.1-111.2 141.6 43.5 16.8 29.7 88 106 A I E -MO 35 70C 0 -53,-2.7 -53,-2.3 -2,-0.4 2,-0.4 -0.994 5.1-151.9-124.4 129.1 46.0 17.5 32.5 89 107 A K E -MO 34 69C 46 -20,-3.0 -21,-3.0 -2,-0.5 -20,-1.2 -0.814 20.3-131.6 -97.9 139.9 47.4 20.9 33.1 90 108 A L E - O 0 67C 1 -57,-2.5 -23,-0.2 -2,-0.4 3,-0.1 -0.655 12.0-125.5 -91.8 149.0 50.9 21.0 34.7 91 109 A K S S+ 0 0 143 -25,-3.0 2,-0.3 -2,-0.2 -1,-0.1 0.890 97.1 7.0 -59.0 -45.0 51.8 23.1 37.8 92 110 A S S S- 0 0 64 -26,-0.3 2,-0.1 -60,-0.1 -1,-0.1 -0.912 95.7 -89.7-134.5 163.7 54.6 24.7 35.8 93 111 A A - 0 0 52 -2,-0.3 -60,-0.2 1,-0.1 2,-0.2 -0.446 39.9-119.6 -74.8 151.2 55.7 24.3 32.2 94 112 A A - 0 0 8 -62,-2.7 2,-0.7 -2,-0.1 -1,-0.1 -0.518 24.2-114.0 -85.7 156.1 58.1 21.6 31.2 95 113 A S - 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