==== 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 1O2T . 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) . 9095.0 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 . 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 . 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 . 15 6.7 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 0.000 360.0 360.0 360.0 131.3 52.9 -3.7 25.2 2 17 A V B +A 171 0A 9 169,-3.0 169,-2.0 1,-0.2 123,-0.1 -0.912 360.0 10.3-111.5 136.1 52.9 -7.3 24.1 3 18 A G S S+ 0 0 47 121,-0.5 -1,-0.2 -2,-0.4 167,-0.1 0.638 102.6 119.9 71.3 18.5 54.9 -8.3 21.0 4 19 A G - 0 0 32 -3,-0.2 2,-0.3 167,-0.1 134,-0.2 -0.089 55.5-122.2 -98.5-162.6 56.7 -4.9 20.9 5 20 A Y E -B 137 0B 94 132,-2.3 132,-2.8 -3,-0.1 2,-0.5 -0.921 34.5 -81.5-139.7 166.7 60.4 -3.9 21.2 6 21 A T E -B 136 0B 73 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.553 36.1-150.7 -71.6 120.3 62.5 -1.7 23.4 7 22 A a - 0 0 17 128,-2.2 -1,-0.2 -2,-0.5 129,-0.1 0.869 35.2-115.8 -61.0 -40.9 62.1 1.8 22.1 8 23 A G > - 0 0 27 127,-0.5 3,-1.8 4,-0.0 4,-0.3 0.103 47.9 -56.4 108.3 137.2 65.5 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 -0.193 118.5 -10.3 -51.7 128.5 66.1 5.8 25.7 10 25 A N T 3 S+ 0 0 37 42,-0.3 -1,-0.3 2,-0.1 43,-0.1 0.644 89.0 125.9 53.3 29.4 64.2 9.0 24.9 11 26 A T S < S+ 0 0 80 -3,-1.8 -2,-0.1 1,-0.3 -1,-0.1 0.616 78.3 48.4 -84.4 -13.4 63.2 8.1 21.3 12 27 A V S > S+ 0 0 9 -4,-0.3 3,-1.6 1,-0.1 -1,-0.3 -0.691 72.3 172.2-123.3 75.6 59.6 8.9 22.3 13 28 A P T 3 S+ 0 0 29 0, 0.0 88,-1.4 0, 0.0 38,-0.3 0.593 71.6 57.1 -68.7 -12.5 60.0 12.3 23.9 14 29 A Y T 3 S+ 0 0 21 86,-0.2 15,-2.2 88,-0.1 2,-0.2 0.469 81.1 108.6 -95.9 -4.7 56.3 13.1 24.3 15 30 A Q E < -J 28 0C 6 -3,-1.6 36,-0.4 13,-0.2 37,-0.4 -0.532 47.7-175.6 -73.5 133.8 55.6 9.9 26.4 16 31 A V E -J 27 0C 0 11,-2.3 11,-1.1 -2,-0.2 2,-0.4 -0.890 19.5-139.7-128.1 161.5 54.9 10.6 30.1 17 32 A S E -JK 26 49C 0 32,-1.9 32,-2.8 -2,-0.3 2,-0.6 -0.965 13.8-143.4-117.8 134.3 54.2 8.2 33.0 18 33 A L E -JK 25 48C 0 7,-2.9 6,-2.2 -2,-0.4 7,-1.1 -0.877 27.1-170.5-101.9 128.8 51.5 9.1 35.5 19 34 A N E +JK 23 47C 18 28,-2.7 28,-2.1 -2,-0.6 4,-0.2 -0.973 33.4 169.9-127.1 136.0 52.7 8.0 38.9 20 37 A S S S- 0 0 36 2,-2.1 3,-0.1 -2,-0.4 26,-0.1 -0.304 97.3 -46.9-133.7 43.9 51.0 7.8 42.4 21 38 A G S S+ 0 0 71 1,-0.1 2,-0.3 26,-0.1 -2,-0.1 0.368 140.2 30.9 104.3 -2.9 53.9 5.9 44.1 22 39 A Y S S- 0 0 130 -4,-0.0 -2,-2.1 0, 0.0 2,-0.4 -0.926 101.4 -85.0-171.3 161.8 54.1 3.5 41.1 23 40 A H E +J 19 0C 30 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.655 49.6 158.7 -80.2 128.2 53.4 3.8 37.3 24 41 A F E + 0 0 31 -6,-2.2 2,-0.3 -2,-0.4 151,-0.3 0.579 60.0 6.0-125.9 -21.0 49.6 3.3 36.6 25 42 A b E -J 18 0C 7 -7,-1.1 -7,-2.9 151,-0.1 -1,-0.4 -0.982 60.3-126.4-158.0 166.3 49.1 5.0 33.2 26 43 A G E +J 17 0C 2 151,-2.7 12,-0.4 -2,-0.3 2,-0.3 -0.451 25.6 178.9-105.2 178.6 50.8 6.7 30.2 27 44 A G E -J 16 0C 0 -11,-1.1 -11,-2.3 -2,-0.2 2,-0.4 -0.960 24.4-115.7-170.1 171.8 50.0 10.1 28.7 28 45 A S E -JL 15 36C 1 8,-2.4 8,-2.4 -2,-0.3 2,-0.6 -0.980 19.1-131.5-126.7 135.5 51.2 12.4 26.0 29 46 A L E + L 0 35C 0 -15,-2.2 74,-1.8 -2,-0.4 6,-0.2 -0.731 28.6 171.4 -82.9 118.9 52.8 15.9 26.4 30 47 A I E - 0 0 19 4,-2.2 2,-0.3 -2,-0.6 5,-0.2 0.636 68.7 -4.8-106.8 -14.9 51.0 18.3 24.0 31 48 A N E > S- L 0 34C 44 3,-1.4 3,-1.0 70,-0.1 -1,-0.3 -0.937 90.6 -82.2-160.4 172.1 52.5 21.6 25.3 32 49 A S T 3 S+ 0 0 45 -2,-0.3 62,-2.5 1,-0.2 60,-0.1 0.620 126.7 29.4 -63.5 -10.8 54.8 22.5 28.1 33 50 A Q T 3 S+ 0 0 60 60,-0.2 57,-2.7 1,-0.1 2,-0.4 0.355 111.2 68.9-127.5 6.9 52.1 22.6 30.7 34 51 A W E < -LM 31 89C 9 -3,-1.0 -4,-2.2 55,-0.2 -3,-1.4 -0.985 47.6-175.8-134.9 142.5 49.5 20.1 29.4 35 52 A V E -LM 29 88C 0 53,-2.3 53,-2.4 -2,-0.4 2,-0.4 -0.918 15.5-145.6-126.0 150.9 49.3 16.3 29.1 36 53 A V E +LM 28 87C 0 -8,-2.4 -8,-2.4 -2,-0.3 2,-0.2 -0.951 32.5 147.4-119.1 137.8 46.5 14.3 27.5 37 54 A S E - M 0 86C 0 49,-2.6 49,-2.4 -2,-0.4 2,-0.3 -0.723 50.4 -67.6-147.2-163.4 45.6 10.8 28.9 38 55 A A > - 0 0 0 -12,-0.4 3,-1.6 47,-0.3 47,-0.3 -0.772 32.6-129.0-101.7 146.0 42.5 8.7 29.3 39 56 A A G > S+ 0 0 3 -2,-0.3 3,-1.8 1,-0.3 -1,-0.1 0.831 107.1 63.2 -60.7 -36.1 39.6 9.6 31.7 40 57 A H G 3 S+ 0 0 68 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.570 93.8 64.0 -69.5 -4.0 39.7 6.1 33.3 41 58 A b G < S+ 0 0 5 -3,-1.6 -1,-0.3 -15,-0.0 -2,-0.2 0.466 78.2 127.6 -93.9 -4.4 43.3 6.9 34.5 42 59 A Y < + 0 0 124 -3,-1.8 2,-0.3 -4,-0.2 -3,-0.0 -0.189 21.4 130.6 -57.6 142.7 41.9 9.7 36.7 43 60 A K - 0 0 52 3,-0.0 2,-0.2 0, 0.0 3,-0.2 -0.926 54.4-100.9-175.9 167.2 42.8 9.8 40.4 44 61 A S S S+ 0 0 97 -2,-0.3 25,-0.0 1,-0.2 0, 0.0 -0.619 96.0 50.8 -98.2 163.1 44.2 12.4 42.8 45 62 A G S S+ 0 0 64 1,-0.2 2,-0.5 -2,-0.2 -1,-0.2 0.940 72.2 162.8 77.5 46.8 47.8 12.4 43.8 46 63 A I - 0 0 10 -3,-0.2 21,-2.1 21,-0.1 2,-0.5 -0.864 22.4-170.6-105.5 134.2 49.3 12.3 40.3 47 64 A Q E -KN 19 66C 51 -28,-2.1 -28,-2.7 -2,-0.5 2,-0.5 -0.976 19.3-140.2-118.5 131.0 52.9 13.2 39.6 48 65 A V E -KN 18 65C 0 17,-3.2 17,-2.7 -2,-0.5 2,-0.6 -0.831 13.0-156.8 -95.6 129.8 53.7 13.4 35.9 49 65AA R E -KN 17 64C 49 -32,-2.8 -32,-1.9 -2,-0.5 3,-0.3 -0.942 12.7-176.5-116.9 113.5 57.1 12.0 35.0 50 66 A L E + N 0 63C 0 13,-2.8 13,-1.9 -2,-0.6 -34,-0.1 -0.626 61.3 30.4-101.8 159.8 58.7 13.3 31.7 51 69 A G S S+ 0 0 6 -36,-0.4 2,-0.2 -38,-0.3 -1,-0.2 0.676 83.6 151.8 62.7 26.6 62.0 12.1 30.1 52 70 A E + 0 0 11 -37,-0.4 -42,-0.3 -3,-0.3 -1,-0.2 -0.505 21.9 150.9 -88.9 153.6 61.7 8.6 31.4 53 71 A D S S+ 0 0 17 1,-0.4 2,-0.8 4,-0.3 -1,-0.2 0.246 82.1 33.3-137.1 -78.1 63.1 5.4 30.0 54 72 A N S > S- 0 0 24 80,-0.2 3,-0.9 1,-0.1 -1,-0.4 -0.761 73.8-162.9 -84.3 113.2 63.8 3.1 32.9 55 73 A I T 3 S+ 0 0 28 78,-2.6 -1,-0.1 -2,-0.8 79,-0.1 0.544 84.9 53.3 -75.9 -6.0 60.9 4.1 35.4 56 74 A N T 3 S+ 0 0 118 77,-0.2 2,-0.4 1,-0.1 -1,-0.2 0.448 106.4 55.3-105.7 -2.6 62.6 2.5 38.4 57 75 A V S < S- 0 0 69 -3,-0.9 2,-0.8 76,-0.2 -4,-0.3 -0.995 75.2-133.9-128.6 133.9 66.0 4.2 38.0 58 76 A V + 0 0 113 -2,-0.4 3,-0.1 1,-0.2 -3,-0.1 -0.791 37.7 162.3 -87.2 116.5 66.8 8.0 37.9 59 77 A E - 0 0 107 -2,-0.8 -1,-0.2 1,-0.3 2,-0.1 0.468 56.0 -86.3-112.7 -8.1 69.2 8.0 34.9 60 78 A G S S+ 0 0 33 -9,-0.0 -1,-0.3 0, 0.0 3,-0.1 -0.155 103.3 67.7 110.7 152.8 69.0 11.7 34.0 61 79 A N + 0 0 69 1,-0.3 2,-0.2 -2,-0.1 -9,-0.1 0.255 69.7 131.7 86.0 -3.9 66.6 13.7 31.7 62 80 A E - 0 0 34 -13,-0.0 2,-0.4 2,-0.0 -1,-0.3 -0.497 36.0-172.1 -81.5 147.2 63.7 13.1 34.1 63 81 A Q E -N 50 0C 37 -13,-1.9 -13,-2.8 -2,-0.2 2,-0.6 -0.990 7.0-162.1-135.6 123.3 61.4 16.0 35.2 64 82 A F E +N 49 0C 82 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.964 18.0 172.2-111.2 115.1 58.9 15.1 37.9 65 83 A I E -N 48 0C 22 -17,-2.7 -17,-3.2 -2,-0.6 2,-0.1 -0.983 29.0-124.9-128.2 136.4 56.0 17.6 38.0 66 84 A S E -N 47 0C 48 -2,-0.4 25,-2.8 -19,-0.2 2,-0.3 -0.455 30.2-110.2 -78.0 152.3 52.8 17.5 40.1 67 85 A A E -O 90 0C 24 -21,-2.1 23,-0.3 23,-0.2 -21,-0.1 -0.673 21.1-163.1 -81.3 136.8 49.5 17.8 38.3 68 86 A S E S- 0 0 74 21,-2.8 2,-0.3 1,-0.4 22,-0.2 0.835 73.9 -13.7 -87.6 -40.7 47.8 21.1 39.1 69 87 A K E -O 89 0C 83 20,-1.2 20,-2.8 2,-0.0 2,-0.4 -0.977 55.8-145.3-158.5 153.4 44.3 19.8 37.9 70 88 A S E -O 88 0C 32 -2,-0.3 2,-0.6 18,-0.2 18,-0.2 -0.986 12.2-159.4-123.9 133.5 42.9 17.0 35.8 71 89 A I E -O 87 0C 34 16,-3.1 16,-2.0 -2,-0.4 2,-0.2 -0.923 5.7-161.7-118.0 100.1 39.9 17.6 33.5 72 90 A V E -O 86 0C 45 -2,-0.6 14,-0.2 14,-0.2 12,-0.1 -0.606 40.6 -91.9 -79.4 144.2 38.0 14.5 32.7 73 91 A H > - 0 0 23 12,-1.9 3,-2.0 10,-0.3 -1,-0.1 -0.369 34.2-129.3 -57.5 132.1 35.7 14.9 29.6 74 92 A P T 3 S+ 0 0 108 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.768 107.1 48.0 -58.0 -28.4 32.2 16.0 31.0 75 93 A S T 3 S+ 0 0 77 2,-0.1 2,-0.2 8,-0.1 -2,-0.1 0.120 78.3 138.2-101.7 22.3 30.6 13.3 28.9 76 94 A Y < - 0 0 59 -3,-2.0 2,-0.5 9,-0.1 7,-0.2 -0.505 37.9-159.1 -68.4 136.9 32.9 10.5 29.9 77 95 A N B >> -P 82 0D 62 5,-1.8 4,-2.8 -2,-0.2 5,-0.6 -0.966 8.5-161.7-119.8 109.3 30.9 7.3 30.6 78 96 A S T 45S+ 0 0 79 -2,-0.5 -1,-0.1 1,-0.2 -2,-0.0 0.657 88.8 56.5 -67.4 -14.2 32.8 4.7 32.7 79 97 A N T 45S+ 0 0 144 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.818 124.3 19.3 -86.9 -33.6 30.6 1.9 31.6 80 98 A T T 45S- 0 0 67 -3,-0.5 -2,-0.2 2,-0.1 77,-0.1 0.640 93.8-133.2-107.0 -18.8 31.2 2.3 27.9 81 99 A L T ><5 + 0 0 31 -4,-2.8 3,-0.8 1,-0.3 2,-0.3 0.708 48.5 158.6 68.5 29.8 34.4 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 -0.642 66.8 18.9 -79.0 140.4 33.0 6.6 25.5 83 101 A N T 3 S+ 0 0 20 -2,-0.3 2,-1.9 -7,-0.2 -10,-0.3 0.910 79.9 172.6 63.8 45.8 34.8 10.0 25.6 84 102 A D < + 0 0 0 -3,-0.8 2,-0.3 75,-0.2 -1,-0.2 -0.506 32.3 114.5 -83.7 73.2 37.7 8.4 27.5 85 103 A I - 0 0 0 -2,-1.9 -12,-1.9 -47,-0.3 2,-0.3 -0.996 38.1-178.9-143.7 145.7 40.0 11.4 27.4 86 104 A M E -MO 37 72C 0 -49,-2.4 -49,-2.6 -2,-0.3 2,-0.4 -0.992 16.2-145.9-144.6 145.9 41.4 13.7 30.2 87 105 A L E -MO 36 71C 0 -16,-2.0 -16,-3.1 -2,-0.3 2,-0.4 -0.904 12.1-162.8-113.2 142.7 43.7 16.8 30.2 88 106 A I E -MO 35 70C 0 -53,-2.4 -53,-2.3 -2,-0.4 2,-0.4 -0.996 7.8-150.1-126.3 131.3 46.1 17.3 33.1 89 107 A K E -MO 34 69C 46 -20,-2.8 -21,-2.8 -2,-0.4 -20,-1.2 -0.823 20.7-128.9-100.2 141.2 47.6 20.7 33.6 90 108 A L E - O 0 67C 1 -57,-2.7 -23,-0.2 -2,-0.4 -24,-0.1 -0.635 11.9-124.5 -90.7 149.8 51.1 20.7 35.2 91 109 A K S S+ 0 0 130 -25,-2.8 2,-0.3 -2,-0.2 -24,-0.1 0.865 97.8 5.8 -59.7 -40.0 52.0 22.7 38.3 92 110 A S S S- 0 0 75 -26,-0.3 2,-0.1 -60,-0.1 -1,-0.1 -0.920 95.4 -90.8-137.3 163.4 54.9 24.3 36.3 93 111 A A - 0 0 52 -2,-0.3 -60,-0.2 1,-0.1 2,-0.1 -0.471 39.5-119.7 -77.6 153.5 55.9 24.0 32.7 94 112 A A - 0 0 9 -62,-2.5 2,-0.6 -2,-0.1 -1,-0.1 -0.463 25.0-112.2 -85.8 162.1 58.3 21.4 31.6 95 113 A S - 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