==== 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 1O2P . 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.SHRADER, . 223 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9196.0 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 . 19 8.5 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 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 0.000 360.0 360.0 360.0 128.8 52.9 -3.6 25.3 2 17 A V B +A 171 0A 10 169,-2.8 169,-2.1 1,-0.2 123,-0.1 -0.904 360.0 4.9-107.3 132.2 52.8 -7.3 24.4 3 18 A G S S+ 0 0 47 121,-0.5 -1,-0.2 -2,-0.4 2,-0.1 0.706 102.7 119.4 69.2 22.6 55.1 -8.5 21.5 4 19 A G - 0 0 34 -3,-0.3 2,-0.3 167,-0.1 134,-0.2 -0.190 57.4-115.1-102.8-161.8 56.7 -5.0 21.0 5 20 A Y E -B 137 0B 90 132,-2.4 132,-2.8 -3,-0.1 2,-0.4 -0.867 34.2 -84.4-133.0 167.1 60.4 -3.9 21.3 6 21 A T E -B 136 0B 72 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.565 36.8-147.4 -71.3 125.7 62.5 -1.7 23.5 7 22 A a - 0 0 18 128,-2.3 -1,-0.2 -2,-0.4 129,-0.1 0.910 35.1-114.1 -64.2 -42.2 62.0 1.9 22.1 8 23 A G > - 0 0 30 127,-0.5 3,-1.6 -3,-0.0 4,-0.2 0.032 50.6 -56.4 113.3 138.4 65.5 3.1 23.0 9 24 A A T 3 S- 0 0 56 1,-0.3 44,-0.1 2,-0.1 43,-0.0 -0.186 117.4 -11.1 -53.2 128.4 66.0 5.9 25.6 10 25 A N T 3 S+ 0 0 37 42,-0.3 -1,-0.3 2,-0.1 43,-0.1 0.688 89.7 126.4 55.5 28.5 64.1 9.1 24.8 11 26 A T S < S+ 0 0 84 -3,-1.6 -2,-0.1 1,-0.3 -1,-0.1 0.515 76.9 49.3 -88.3 -4.1 63.2 8.2 21.2 12 27 A V S > S+ 0 0 8 -4,-0.2 3,-1.8 87,-0.1 -1,-0.3 -0.682 74.0 173.5-128.0 73.1 59.5 8.9 22.0 13 28 A P T 3 S+ 0 0 33 0, 0.0 88,-1.4 0, 0.0 38,-0.3 0.620 71.7 57.6 -67.9 -13.2 60.0 12.4 23.7 14 29 A Y T 3 S+ 0 0 21 86,-0.2 15,-2.2 88,-0.1 2,-0.3 0.470 80.6 109.3 -94.8 -3.5 56.2 13.1 24.1 15 30 A Q E < -J 28 0C 7 -3,-1.8 36,-0.4 13,-0.2 37,-0.4 -0.540 47.2-176.2 -74.1 131.3 55.6 10.0 26.2 16 31 A V E -J 27 0C 0 11,-2.4 11,-1.2 -2,-0.3 2,-0.4 -0.880 20.3-139.0-125.3 161.1 54.8 10.7 29.9 17 32 A S E -JK 26 49C 0 32,-2.0 32,-2.6 -2,-0.3 2,-0.5 -0.965 15.1-141.8-114.8 133.5 54.2 8.3 32.8 18 33 A L E -JK 25 48C 0 7,-3.0 6,-2.0 -2,-0.4 7,-1.0 -0.862 29.1-167.5 -98.4 129.7 51.4 9.4 35.3 19 34 A N E +JK 23 47C 17 28,-2.8 28,-2.1 -2,-0.5 4,-0.2 -0.972 36.0 165.9-126.8 134.7 52.7 8.5 38.8 20 37 A S S S- 0 0 37 2,-1.9 3,-0.1 -2,-0.4 26,-0.1 -0.331 96.8 -48.6-134.0 45.3 51.0 8.2 42.3 21 38 A G S S+ 0 0 71 1,-0.2 2,-0.3 26,-0.1 -2,-0.1 0.389 139.0 32.5 101.8 -4.5 53.9 6.3 44.0 22 39 A Y S S- 0 0 132 -4,-0.0 -2,-1.9 0, 0.0 2,-0.4 -0.922 101.3 -86.6-168.2 163.9 54.0 3.8 41.0 23 40 A H E +J 19 0C 30 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.703 49.9 159.6 -82.3 128.0 53.3 4.1 37.2 24 41 A F E + 0 0 29 -6,-2.0 2,-0.3 1,-0.4 151,-0.3 0.617 60.3 4.4-124.9 -22.7 49.6 3.6 36.6 25 42 A b E -J 18 0C 7 -7,-1.0 -7,-3.0 151,-0.1 -1,-0.4 -0.978 61.4-127.9-156.7 165.3 48.9 5.2 33.1 26 43 A G E +J 17 0C 2 151,-2.7 12,-0.4 -2,-0.3 2,-0.3 -0.419 25.1 178.5-105.5-179.4 50.7 6.8 30.2 27 44 A G E -J 16 0C 0 -11,-1.2 -11,-2.4 -2,-0.2 2,-0.4 -0.969 24.3-112.8-171.0 174.5 50.0 10.1 28.5 28 45 A S E -JL 15 36C 1 8,-2.3 8,-2.5 -2,-0.3 2,-0.5 -0.986 19.0-132.2-127.3 133.5 51.1 12.5 25.7 29 46 A L E + L 0 35C 0 -15,-2.2 74,-2.2 -2,-0.4 6,-0.2 -0.703 26.6 173.7 -82.1 122.5 52.7 16.0 26.1 30 47 A I E - 0 0 19 4,-2.3 2,-0.3 -2,-0.5 5,-0.2 0.572 69.3 -9.1-108.5 -10.6 50.8 18.3 23.6 31 48 A N E > S- L 0 34C 47 3,-1.1 3,-0.7 70,-0.1 -1,-0.3 -0.928 92.6 -77.6-166.0 176.5 52.4 21.7 24.6 32 49 A S T 3 S+ 0 0 45 -2,-0.3 62,-2.9 1,-0.2 3,-0.1 0.647 127.1 30.3 -67.8 -9.5 54.7 22.7 27.6 33 50 A Q T 3 S+ 0 0 60 60,-0.2 57,-2.8 1,-0.1 2,-0.4 0.399 110.0 68.9-125.8 3.5 52.0 22.8 30.2 34 51 A W E < -LM 31 89C 11 -3,-0.7 -4,-2.3 55,-0.2 -3,-1.1 -0.981 47.8-173.9-133.6 142.9 49.4 20.2 29.0 35 52 A V E -LM 29 88C 0 53,-2.2 53,-2.8 -2,-0.4 2,-0.4 -0.932 15.1-146.0-123.9 144.9 49.2 16.4 28.7 36 53 A V E +LM 28 87C 0 -8,-2.5 -8,-2.3 -2,-0.3 2,-0.2 -0.927 33.2 146.8-112.8 137.0 46.4 14.4 27.1 37 54 A S E - M 0 86C 0 49,-2.6 49,-2.3 -2,-0.4 2,-0.3 -0.734 50.2 -68.1-147.4-164.7 45.5 11.0 28.7 38 55 A A > - 0 0 0 -12,-0.4 3,-1.8 47,-0.3 47,-0.3 -0.760 32.9-129.1-101.2 145.0 42.4 8.8 29.1 39 56 A A G > S+ 0 0 3 -2,-0.3 3,-1.8 1,-0.3 -1,-0.1 0.847 106.6 61.6 -59.1 -35.9 39.5 9.7 31.5 40 57 A H G 3 S+ 0 0 70 1,-0.3 -1,-0.3 41,-0.1 44,-0.0 0.550 93.6 65.0 -72.8 -1.8 39.6 6.4 33.2 41 58 A b G < S+ 0 0 6 -3,-1.8 -1,-0.3 -15,-0.0 -2,-0.2 0.363 78.5 127.5 -96.2 3.3 43.1 7.0 34.3 42 59 A Y < + 0 0 120 -3,-1.8 2,-0.3 -4,-0.1 -3,-0.0 -0.319 20.8 133.6 -64.8 141.0 41.8 9.9 36.5 43 60 A K - 0 0 56 -2,-0.0 3,-0.2 3,-0.0 2,-0.2 -0.941 52.9-102.1-169.3 167.5 42.7 10.1 40.2 44 61 A S S S+ 0 0 97 -2,-0.3 25,-0.0 1,-0.2 0, 0.0 -0.586 96.8 47.8 -97.8 167.3 43.9 12.9 42.5 45 62 A G S S+ 0 0 67 1,-0.2 2,-0.4 -2,-0.2 -1,-0.2 0.929 73.4 166.8 74.4 44.2 47.6 13.2 43.5 46 63 A I - 0 0 12 -3,-0.2 21,-2.0 21,-0.1 2,-0.5 -0.793 20.7-167.6 -97.4 136.5 49.0 12.7 40.0 47 64 A Q E -KN 19 66C 54 -28,-2.1 -28,-2.8 -2,-0.4 2,-0.5 -0.984 16.6-142.6-116.8 128.6 52.7 13.5 39.4 48 65 A V E -KN 18 65C 0 17,-3.1 17,-2.7 -2,-0.5 2,-0.6 -0.809 11.2-157.2 -94.9 129.9 53.6 13.6 35.6 49 65AA R E -KN 17 64C 50 -32,-2.6 -32,-2.0 -2,-0.5 3,-0.3 -0.945 12.6-175.7-115.7 113.8 57.0 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 -0.639 60.8 30.5-102.8 159.5 58.6 13.4 31.5 51 69 A G S S+ 0 0 6 -36,-0.4 2,-0.2 -38,-0.3 -1,-0.2 0.727 83.7 151.5 63.1 28.1 61.9 12.3 29.9 52 70 A E + 0 0 11 -37,-0.4 -42,-0.3 -3,-0.3 -1,-0.2 -0.548 23.5 152.6 -91.6 154.0 61.7 8.8 31.3 53 71 A D S S+ 0 0 16 1,-0.4 2,-0.7 4,-0.2 -1,-0.2 0.227 82.8 32.6-137.1 -81.7 63.1 5.6 29.9 54 72 A N S > S- 0 0 22 80,-0.2 3,-1.0 1,-0.2 -1,-0.4 -0.716 73.3-162.8 -79.3 113.7 63.7 3.3 32.9 55 73 A I T 3 S+ 0 0 29 78,-2.4 -1,-0.2 -2,-0.7 79,-0.1 0.549 86.1 52.8 -77.2 -4.5 60.8 4.4 35.4 56 74 A N T 3 S+ 0 0 114 77,-0.2 2,-0.4 1,-0.1 -1,-0.2 0.395 106.3 56.3-107.4 0.0 62.6 2.8 38.4 57 75 A V S < S- 0 0 73 -3,-1.0 2,-0.8 76,-0.2 -4,-0.2 -0.999 75.7-134.7-130.4 133.1 66.0 4.6 37.9 58 76 A V + 0 0 114 -2,-0.4 3,-0.1 1,-0.2 -3,-0.1 -0.767 37.4 163.9 -84.6 112.1 66.7 8.4 37.8 59 77 A E - 0 0 106 -2,-0.8 -1,-0.2 1,-0.3 2,-0.1 0.521 55.0 -89.1-108.4 -10.1 69.1 8.3 34.7 60 78 A G S S+ 0 0 34 -3,-0.1 -1,-0.3 -9,-0.0 3,-0.1 -0.117 103.6 68.4 110.4 151.0 68.9 12.0 33.9 61 79 A N + 0 0 71 1,-0.3 2,-0.1 -2,-0.1 -9,-0.1 0.152 69.8 131.8 90.6 -11.6 66.5 13.9 31.6 62 80 A E - 0 0 33 -13,-0.0 2,-0.4 2,-0.0 -1,-0.3 -0.397 35.7-172.8 -71.7 146.4 63.6 13.3 33.9 63 81 A Q E -N 50 0C 36 -13,-1.7 -13,-2.8 -3,-0.1 2,-0.6 -0.982 7.1-161.9-137.1 123.0 61.3 16.2 34.9 64 82 A F E +N 49 0C 80 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.957 17.4 172.5-109.7 118.6 58.7 15.4 37.6 65 83 A I E -N 48 0C 20 -17,-2.7 -17,-3.1 -2,-0.6 2,-0.1 -0.990 29.4-124.4-131.5 137.5 55.9 17.9 37.7 66 84 A S E -N 47 0C 50 -2,-0.4 25,-2.8 -19,-0.2 26,-0.3 -0.457 29.4-113.6 -76.9 151.3 52.7 17.8 39.7 67 85 A A E -O 90 0C 21 -21,-2.0 23,-0.3 23,-0.2 -21,-0.1 -0.671 19.5-161.0 -80.6 139.1 49.4 18.1 37.8 68 86 A S E S- 0 0 77 21,-3.2 2,-0.3 1,-0.4 22,-0.2 0.855 74.6 -11.8 -90.2 -42.1 47.6 21.4 38.8 69 87 A K E -O 89 0C 90 20,-1.1 20,-2.9 -25,-0.0 2,-0.4 -0.988 57.1-146.1-153.9 154.4 44.2 20.1 37.5 70 88 A S E -O 88 0C 31 -2,-0.3 2,-0.6 18,-0.2 18,-0.2 -0.974 12.8-158.3-121.2 135.9 42.8 17.2 35.5 71 89 A I E -O 87 0C 32 16,-3.1 16,-1.9 -2,-0.4 2,-0.2 -0.907 5.0-161.3-119.6 101.8 39.8 17.8 33.2 72 90 A V E -O 86 0C 45 -2,-0.6 14,-0.2 14,-0.2 12,-0.1 -0.593 40.8 -92.4 -78.6 145.1 37.9 14.6 32.4 73 91 A H > - 0 0 24 12,-2.0 3,-1.7 10,-0.3 -1,-0.1 -0.342 34.0-128.4 -57.1 134.3 35.6 15.1 29.3 74 92 A P T 3 S+ 0 0 109 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.800 107.8 47.3 -58.5 -30.5 32.1 16.1 30.6 75 93 A S T 3 S+ 0 0 77 2,-0.1 2,-0.2 8,-0.0 -2,-0.1 0.097 78.1 139.6-100.3 22.5 30.4 13.4 28.6 76 94 A Y < - 0 0 56 -3,-1.7 2,-0.6 9,-0.1 7,-0.2 -0.505 38.8-157.6 -66.0 131.3 32.8 10.6 29.6 77 95 A N B >> -P 82 0D 64 5,-2.0 4,-2.9 -2,-0.2 5,-0.5 -0.929 7.2-162.4-112.4 107.0 30.7 7.4 30.3 78 96 A S T 45S+ 0 0 79 -2,-0.6 -1,-0.1 1,-0.2 -2,-0.0 0.736 88.5 55.3 -66.1 -15.8 32.6 5.0 32.6 79 97 A N T 45S+ 0 0 147 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.901 123.9 20.8 -85.4 -38.1 30.4 2.1 31.5 80 98 A T T 45S- 0 0 68 -3,-0.2 -2,-0.2 2,-0.1 77,-0.1 0.678 94.0-133.8-100.0 -16.8 31.0 2.4 27.8 81 99 A L T ><5 + 0 0 30 -4,-2.9 3,-0.8 1,-0.3 2,-0.2 0.657 49.0 157.9 70.4 22.3 34.3 4.3 27.9 82 100 A N B 3 < +P 77 0D 34 -5,-0.5 -5,-2.0 1,-0.3 -1,-0.3 -0.594 66.3 19.3 -74.2 140.5 32.8 6.6 25.2 83 101 A N T 3 S+ 0 0 22 -2,-0.2 2,-2.0 -7,-0.2 -10,-0.3 0.903 80.2 173.4 65.7 45.2 34.7 10.0 25.4 84 102 A D < + 0 0 0 -3,-0.8 2,-0.3 75,-0.2 -1,-0.2 -0.477 31.8 114.2 -84.2 76.4 37.6 8.4 27.2 85 103 A I - 0 0 0 -2,-2.0 -12,-2.0 -47,-0.3 2,-0.3 -0.995 37.6-179.1-144.5 147.7 39.9 11.5 27.2 86 104 A M E -MO 37 72C 0 -49,-2.3 -49,-2.6 -2,-0.3 2,-0.4 -0.989 16.7-144.7-146.3 147.6 41.3 13.8 29.9 87 105 A L E -MO 36 71C 0 -16,-1.9 -16,-3.1 -2,-0.3 2,-0.4 -0.917 12.4-159.6-113.8 140.8 43.5 16.8 29.8 88 106 A I E -MO 35 70C 0 -53,-2.8 -53,-2.2 -2,-0.4 2,-0.4 -0.989 5.5-151.5-122.5 130.1 46.0 17.4 32.6 89 107 A K E -MO 34 69C 48 -20,-2.9 -21,-3.2 -2,-0.4 -20,-1.1 -0.850 20.0-131.1 -99.1 135.5 47.4 20.9 33.2 90 108 A L E - O 0 67C 1 -57,-2.8 -23,-0.2 -2,-0.4 3,-0.1 -0.574 10.8-127.4 -86.0 150.6 51.0 20.9 34.8 91 109 A K S S+ 0 0 127 -25,-2.8 2,-0.3 -2,-0.2 -1,-0.1 0.905 97.9 14.0 -64.0 -42.6 51.8 23.1 37.9 92 110 A S S S- 0 0 74 -26,-0.3 -1,-0.1 -60,-0.1 2,-0.1 -0.944 95.4 -97.6-130.5 157.3 54.8 24.6 36.0 93 111 A A - 0 0 54 -2,-0.3 -60,-0.2 1,-0.1 2,-0.2 -0.409 39.8-118.5 -72.6 150.9 55.7 24.4 32.3 94 112 A A - 0 0 8 -62,-2.9 2,-0.7 -63,-0.1 -1,-0.1 -0.542 21.9-114.8 -86.0 156.2 58.1 21.7 31.2 95 113 A S - 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