==== 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 1O31 . 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) . 9145.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 133 59.6 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,-0.5 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 128.9 53.1 -3.7 25.1 2 17 A V B +A 171 0A 9 169,-2.8 169,-2.1 1,-0.2 123,-0.1 -0.935 360.0 10.0-109.5 132.2 53.0 -7.4 23.9 3 18 A G S S+ 0 0 47 -2,-0.5 -1,-0.2 121,-0.4 167,-0.1 0.644 102.6 122.5 76.0 17.7 55.0 -8.3 20.8 4 19 A G - 0 0 31 -3,-0.3 2,-0.3 167,-0.1 134,-0.2 -0.173 54.1-125.9 -98.0-167.8 56.8 -4.9 20.8 5 20 A Y E -B 137 0B 95 132,-2.3 132,-2.9 -3,-0.1 2,-0.4 -0.896 35.5 -81.3-136.5 166.2 60.5 -3.9 21.0 6 21 A T E -B 136 0B 73 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.565 36.1-149.9 -70.4 125.3 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 0.855 36.3-114.2 -65.7 -39.2 62.2 1.9 22.0 8 23 A G > - 0 0 27 127,-0.5 3,-1.6 4,-0.0 4,-0.3 0.087 48.4 -58.4 110.2 138.4 65.7 3.1 23.0 9 24 A A T 3 S- 0 0 55 1,-0.2 44,-0.1 2,-0.1 43,-0.1 -0.202 118.5 -8.2 -53.1 137.2 66.2 5.8 25.7 10 25 A N T 3 S+ 0 0 36 42,-0.3 -1,-0.2 2,-0.1 43,-0.1 0.652 90.7 124.7 47.0 30.0 64.4 9.1 25.0 11 26 A T S < S+ 0 0 80 -3,-1.6 -1,-0.1 1,-0.3 -2,-0.1 0.613 77.3 48.8 -86.7 -11.4 63.4 8.1 21.4 12 27 A V S > S+ 0 0 9 -4,-0.3 3,-1.7 1,-0.1 -1,-0.3 -0.697 73.5 173.9-124.4 76.0 59.8 8.9 22.3 13 28 A P T 3 S+ 0 0 31 0, 0.0 88,-1.2 0, 0.0 38,-0.3 0.650 72.3 55.5 -67.1 -17.8 60.2 12.3 23.9 14 29 A Y T 3 S+ 0 0 21 86,-0.2 15,-2.1 88,-0.1 2,-0.3 0.457 81.4 109.7 -92.8 -3.4 56.5 13.1 24.4 15 30 A Q E < -J 28 0C 6 -3,-1.7 36,-0.4 13,-0.2 37,-0.4 -0.564 47.8-174.3 -73.4 129.0 55.8 9.8 26.4 16 31 A V E -J 27 0C 0 11,-2.2 11,-1.0 -2,-0.3 2,-0.4 -0.854 19.4-139.5-121.5 161.9 55.1 10.4 30.1 17 32 A S E -JK 26 49C 0 32,-1.8 32,-2.6 -2,-0.3 2,-0.6 -0.960 15.5-142.0-115.1 133.9 54.6 7.9 33.0 18 33 A L E -JK 25 48C 0 7,-2.8 6,-2.5 -2,-0.4 7,-1.1 -0.887 26.8-169.4-100.3 124.5 51.8 8.8 35.5 19 34 A N E +JK 23 47C 17 28,-2.7 28,-2.1 -2,-0.6 4,-0.2 -0.951 32.7 167.9-121.5 134.2 53.1 7.8 39.0 20 37 A S S S- 0 0 36 2,-2.0 3,-0.1 -2,-0.4 26,-0.1 -0.275 97.2 -47.7-131.7 41.8 51.3 7.5 42.4 21 38 A G S S+ 0 0 71 1,-0.2 2,-0.3 26,-0.1 -2,-0.1 0.364 140.2 32.2 105.3 -4.4 54.1 5.6 44.1 22 39 A Y S S- 0 0 131 -4,-0.0 -2,-2.0 0, 0.0 2,-0.4 -0.946 103.1 -83.5-168.6 160.9 54.3 3.2 41.1 23 40 A H E +J 19 0C 32 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.606 51.5 159.4 -75.2 127.1 53.7 3.6 37.4 24 41 A F E + 0 0 31 -6,-2.5 2,-0.3 1,-0.4 151,-0.3 0.659 58.3 2.2-124.0 -26.4 50.0 3.2 36.7 25 42 A b E -J 18 0C 8 -7,-1.1 -7,-2.8 151,-0.1 -1,-0.4 -0.952 61.4-124.0-152.1 172.6 49.3 4.8 33.2 26 43 A G E +J 17 0C 1 151,-3.1 12,-0.4 -2,-0.3 2,-0.3 -0.485 27.0 178.5-109.9-179.0 51.0 6.5 30.3 27 44 A G E -J 16 0C 0 -11,-1.0 -11,-2.2 -2,-0.2 2,-0.4 -0.969 24.6-114.7-171.2 173.3 50.3 10.0 28.8 28 45 A S E -JL 15 36C 1 8,-2.5 8,-2.4 -2,-0.3 2,-0.5 -0.989 19.0-132.2-127.8 134.6 51.5 12.4 26.1 29 46 A L E + L 0 35C 0 -15,-2.1 74,-1.7 -2,-0.4 6,-0.2 -0.723 28.0 172.1 -81.6 121.3 53.1 15.9 26.6 30 47 A I E - 0 0 18 4,-2.2 2,-0.3 -2,-0.5 5,-0.2 0.581 68.6 -5.6-108.9 -12.8 51.3 18.3 24.2 31 48 A N E > S- L 0 34C 44 3,-1.2 3,-0.6 70,-0.1 -1,-0.3 -0.944 91.8 -80.3-162.2 174.4 52.8 21.6 25.5 32 49 A S T 3 S+ 0 0 44 -2,-0.3 62,-2.7 1,-0.2 60,-0.1 0.653 127.4 27.5 -65.4 -9.0 55.2 22.5 28.4 33 50 A Q T 3 S+ 0 0 60 60,-0.2 57,-2.9 1,-0.1 2,-0.4 0.465 110.3 70.4-128.6 0.3 52.4 22.5 31.0 34 51 A W E < -LM 31 89C 10 -3,-0.6 -4,-2.2 55,-0.2 -3,-1.2 -0.959 48.3-175.9-126.7 142.0 49.7 20.1 29.6 35 52 A V E -LM 29 88C 0 53,-2.0 53,-2.1 -2,-0.4 2,-0.4 -0.942 15.3-146.1-125.7 147.0 49.6 16.2 29.2 36 53 A V E +LM 28 87C 0 -8,-2.4 -8,-2.5 -2,-0.3 2,-0.2 -0.945 33.5 144.2-117.4 138.3 46.7 14.2 27.6 37 54 A S E - M 0 86C 0 49,-2.5 49,-2.2 -2,-0.4 2,-0.4 -0.736 51.7 -63.5-149.5-164.1 45.9 10.7 29.0 38 55 A A > - 0 0 0 -12,-0.4 3,-2.1 47,-0.3 4,-0.3 -0.748 30.9-130.8 -99.8 142.7 42.7 8.7 29.5 39 56 A A G > S+ 0 0 3 -2,-0.4 3,-1.6 1,-0.3 -1,-0.1 0.854 108.3 62.5 -60.9 -33.2 39.9 9.6 31.8 40 57 A H G 3 S+ 0 0 64 1,-0.2 -1,-0.3 41,-0.1 137,-0.0 0.632 94.5 64.0 -71.4 -3.8 39.9 6.1 33.3 41 58 A b G < S+ 0 0 4 -3,-2.1 -1,-0.2 -15,-0.0 -2,-0.2 0.499 78.8 127.3 -90.8 -4.2 43.6 6.8 34.5 42 59 A Y < + 0 0 122 -3,-1.6 2,-0.3 -4,-0.3 -3,-0.0 -0.178 21.1 131.0 -55.8 143.8 42.2 9.6 36.8 43 60 A K - 0 0 54 3,-0.0 2,-0.2 0, 0.0 3,-0.2 -0.917 54.2-101.2-176.5 169.4 43.1 9.6 40.5 44 61 A S S S+ 0 0 96 -2,-0.3 25,-0.0 1,-0.2 0, 0.0 -0.630 96.5 50.2-100.3 165.0 44.4 12.2 42.9 45 62 A G S S+ 0 0 67 -2,-0.2 2,-0.5 1,-0.2 -1,-0.2 0.969 72.5 164.0 75.3 50.2 48.1 12.3 43.9 46 63 A I - 0 0 11 -3,-0.2 21,-2.0 21,-0.2 2,-0.5 -0.869 21.8-170.2-107.0 134.3 49.6 12.1 40.4 47 64 A Q E -KN 19 66C 51 -28,-2.1 -28,-2.7 -2,-0.5 2,-0.5 -0.977 18.9-140.6-118.2 132.9 53.2 13.0 39.7 48 65 A V E -KN 18 65C 0 17,-3.1 17,-2.5 -2,-0.5 2,-0.6 -0.815 11.9-156.8 -95.6 129.4 54.0 13.2 36.0 49 65AA R E -KN 17 64C 47 -32,-2.6 -32,-1.8 -2,-0.5 3,-0.3 -0.918 12.8-176.1-115.3 112.8 57.4 11.7 35.1 50 66 A L E + N 0 63C 2 13,-2.6 13,-2.0 -2,-0.6 -34,-0.1 -0.647 62.4 30.6-101.1 158.0 59.0 13.1 31.8 51 69 A G S S+ 0 0 6 -36,-0.4 2,-0.2 -38,-0.3 -1,-0.2 0.689 85.2 153.3 66.1 23.4 62.3 11.9 30.1 52 70 A E + 0 0 12 -37,-0.4 -42,-0.3 -3,-0.3 -1,-0.2 -0.494 21.4 148.7 -86.3 151.6 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 0.319 79.8 34.1-139.5 -68.3 63.2 5.2 30.0 54 72 A N S > S- 0 0 20 80,-0.2 3,-1.0 3,-0.2 -1,-0.3 -0.841 73.2-162.1 -92.7 107.8 63.9 2.9 32.9 55 73 A I T 3 S+ 0 0 26 78,-2.2 -1,-0.1 -2,-0.8 79,-0.1 0.538 84.3 53.0 -71.2 -3.6 61.1 3.8 35.4 56 74 A N T 3 S+ 0 0 118 77,-0.2 2,-0.3 1,-0.1 -1,-0.2 0.534 105.8 53.5-107.7 -4.8 62.8 2.1 38.3 57 75 A V S < S- 0 0 72 -3,-1.0 2,-0.5 76,-0.1 -4,-0.2 -0.986 74.7-133.0-125.5 137.1 66.3 3.9 38.1 58 76 A V + 0 0 112 -2,-0.3 3,-0.1 1,-0.2 -3,-0.1 -0.820 38.1 161.9 -87.7 128.0 67.0 7.7 37.9 59 77 A E - 0 0 116 -2,-0.5 -1,-0.2 1,-0.3 2,-0.1 0.404 56.4 -84.3-123.7 -9.5 69.6 7.8 35.0 60 78 A G S S+ 0 0 34 -9,-0.0 -1,-0.3 0, 0.0 3,-0.1 -0.199 104.1 65.8 113.6 152.8 69.4 11.4 34.0 61 79 A N S S+ 0 0 74 1,-0.3 2,-0.2 -2,-0.1 -9,-0.1 0.242 70.4 130.2 84.0 -5.3 67.0 13.4 31.8 62 80 A E - 0 0 32 -13,-0.0 2,-0.4 -11,-0.0 -1,-0.3 -0.500 36.9-171.3 -80.3 147.6 64.0 12.8 34.1 63 81 A Q E -N 50 0C 35 -13,-2.0 -13,-2.6 -2,-0.2 2,-0.6 -0.987 6.1-162.3-134.9 122.1 61.8 15.7 35.3 64 82 A F E +N 49 0C 80 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.952 18.1 170.3-108.1 120.0 59.2 14.8 38.0 65 83 A I E -N 48 0C 22 -17,-2.5 -17,-3.1 -2,-0.6 2,-0.1 -0.996 29.6-124.9-132.0 133.9 56.4 17.4 38.2 66 84 A S E -N 47 0C 53 -2,-0.4 25,-2.8 -19,-0.2 2,-0.3 -0.413 29.8-109.7 -76.2 154.1 53.2 17.2 40.2 67 85 A A E -O 90 0C 23 -21,-2.0 23,-0.3 23,-0.2 -21,-0.2 -0.651 20.6-162.4 -79.8 134.7 49.8 17.6 38.4 68 86 A S E S- 0 0 75 21,-3.1 2,-0.3 1,-0.4 22,-0.2 0.896 75.1 -11.2 -86.1 -47.5 48.1 20.9 39.4 69 87 A K E -O 89 0C 87 20,-1.0 20,-2.8 2,-0.0 2,-0.4 -0.994 56.1-145.7-148.7 156.5 44.7 19.7 38.1 70 88 A S E -O 88 0C 33 -2,-0.3 2,-0.6 18,-0.2 18,-0.2 -0.994 12.4-161.2-123.3 130.7 43.2 16.8 36.1 71 89 A I E -O 87 0C 32 16,-3.0 16,-2.0 -2,-0.4 2,-0.2 -0.924 6.4-162.8-115.5 101.2 40.1 17.6 33.8 72 90 A V E -O 86 0C 45 -2,-0.6 14,-0.2 14,-0.2 12,-0.1 -0.603 40.9 -91.2 -80.6 144.3 38.3 14.4 32.8 73 91 A H > - 0 0 24 12,-2.1 3,-1.7 10,-0.3 -1,-0.1 -0.322 34.0-129.5 -55.2 134.5 36.0 14.9 29.8 74 92 A P T 3 S+ 0 0 106 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.802 107.4 47.8 -58.1 -30.1 32.5 16.0 31.2 75 93 A S T 3 S+ 0 0 76 2,-0.1 2,-0.2 8,-0.0 -2,-0.1 0.128 78.1 135.8 -99.3 20.5 30.8 13.3 29.1 76 94 A Y < - 0 0 54 -3,-1.7 2,-0.5 9,-0.1 7,-0.2 -0.524 39.5-159.7 -67.7 134.2 33.2 10.5 30.0 77 95 A N B >> -P 82 0D 66 5,-1.8 4,-2.2 -2,-0.2 5,-0.6 -0.980 8.2-158.2-117.5 113.5 31.1 7.3 30.7 78 96 A S T 45S+ 0 0 81 -2,-0.5 -1,-0.1 1,-0.2 -2,-0.0 0.622 89.1 56.0 -70.7 -10.7 33.0 4.7 32.8 79 97 A N T 45S+ 0 0 146 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.799 123.5 20.8 -91.3 -32.3 30.8 1.9 31.6 80 98 A T T 45S- 0 0 68 -3,-0.4 -2,-0.2 2,-0.1 77,-0.1 0.652 95.2-133.7-106.8 -17.7 31.3 2.3 27.8 81 99 A L T ><5 + 0 0 31 -4,-2.2 3,-0.7 1,-0.3 2,-0.2 0.709 48.2 159.1 71.0 27.3 34.6 4.3 28.1 82 100 A N B 3 < +P 77 0D 35 -5,-0.6 -5,-1.8 1,-0.2 -1,-0.3 -0.582 65.4 19.5 -76.5 144.1 33.1 6.7 25.5 83 101 A N T 3 S+ 0 0 19 -7,-0.2 2,-2.1 -2,-0.2 -10,-0.3 0.891 80.2 173.3 62.6 44.7 35.0 10.1 25.7 84 102 A D < + 0 0 0 -3,-0.7 2,-0.3 75,-0.2 -1,-0.2 -0.418 31.8 115.3 -81.7 71.8 37.9 8.4 27.5 85 103 A I + 0 0 0 -2,-2.1 -12,-2.1 -47,-0.3 2,-0.3 -0.997 37.2 179.8-141.1 145.0 40.2 11.5 27.5 86 104 A M E -MO 37 72C 0 -49,-2.2 -49,-2.5 -2,-0.3 2,-0.4 -0.990 16.2-147.9-144.3 142.2 41.7 13.6 30.4 87 105 A L E -MO 36 71C 0 -16,-2.0 -16,-3.0 -2,-0.3 2,-0.4 -0.886 11.6-161.4-110.4 142.4 44.0 16.7 30.4 88 106 A I E -MO 35 70C 0 -53,-2.1 -53,-2.0 -2,-0.4 2,-0.4 -0.995 7.8-149.1-123.9 131.7 46.4 17.2 33.3 89 107 A K E -MO 34 69C 45 -20,-2.8 -21,-3.1 -2,-0.4 -20,-1.0 -0.834 20.8-129.5 -99.4 140.9 47.9 20.6 33.9 90 108 A L E - 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