==== 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 1O2L . 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) . 9152.0 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 . 71 31.8 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 . 14 6.3 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 . 4 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,-0.4 0.000 360.0 360.0 360.0 123.6 53.2 -3.7 24.9 2 17 A V B +A 171 0A 10 169,-2.9 169,-2.0 1,-0.2 123,-0.1 -0.862 360.0 6.9-101.7 136.5 53.0 -7.3 23.9 3 18 A G S S+ 0 0 48 121,-0.5 -1,-0.2 -2,-0.4 2,-0.1 0.692 102.5 119.9 68.0 23.8 55.2 -8.3 20.8 4 19 A G - 0 0 34 -3,-0.4 2,-0.3 167,-0.1 134,-0.2 -0.157 55.7-119.8-102.8-164.2 56.9 -4.9 20.6 5 20 A Y E -B 137 0B 92 132,-2.4 132,-2.7 -3,-0.1 2,-0.3 -0.927 34.9 -82.1-137.7 164.7 60.6 -3.8 20.8 6 21 A T E -B 136 0B 76 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.498 35.6-150.2 -69.9 126.8 62.7 -1.6 23.0 7 22 A a - 0 0 18 128,-2.0 -1,-0.1 -2,-0.3 129,-0.1 0.860 36.3-110.7 -66.1 -40.2 62.3 2.0 21.8 8 23 A G > - 0 0 28 127,-0.5 3,-2.1 4,-0.0 4,-0.3 0.208 48.2 -63.8 109.2 129.9 65.7 3.3 22.8 9 24 A A T 3 S- 0 0 51 1,-0.3 44,-0.1 2,-0.1 43,-0.0 -0.196 117.7 -5.7 -50.4 131.6 66.1 5.8 25.6 10 25 A N T 3 S+ 0 0 36 42,-0.4 -1,-0.3 2,-0.1 43,-0.1 0.562 89.5 122.8 56.2 24.7 64.4 9.0 24.8 11 26 A T S < S+ 0 0 84 -3,-2.1 -2,-0.1 1,-0.3 -1,-0.1 0.563 78.3 51.2 -85.2 -7.0 63.4 8.3 21.2 12 27 A V S > S+ 0 0 8 -4,-0.3 3,-1.8 87,-0.1 -1,-0.3 -0.667 71.9 173.2-126.2 71.1 59.8 9.0 22.2 13 28 A P T 3 S+ 0 0 32 0, 0.0 88,-1.5 0, 0.0 38,-0.3 0.551 71.7 56.5 -61.8 -14.5 60.2 12.4 23.9 14 29 A Y T 3 S+ 0 0 19 86,-0.2 15,-2.4 88,-0.1 2,-0.2 0.432 80.6 108.9 -96.8 -5.3 56.5 13.1 24.4 15 30 A Q E < -J 28 0C 8 -3,-1.8 36,-0.4 13,-0.2 37,-0.4 -0.539 47.3-174.1 -73.2 135.9 55.8 9.9 26.4 16 31 A V E -J 27 0C 0 11,-2.1 11,-1.2 -2,-0.2 2,-0.4 -0.895 19.3-138.6-128.6 160.8 55.1 10.4 30.1 17 32 A S E -JK 26 49C 1 32,-1.8 32,-2.5 -2,-0.3 2,-0.6 -0.939 15.1-142.2-114.7 135.5 54.6 7.9 32.9 18 33 A L E -JK 25 48C 0 7,-2.9 6,-2.1 -2,-0.4 7,-0.9 -0.901 26.9-171.0-101.2 125.4 51.8 8.8 35.4 19 34 A N E +JK 23 47C 17 28,-2.9 28,-2.2 -2,-0.6 4,-0.2 -0.971 32.5 168.2-124.6 135.6 53.0 7.7 38.9 20 37 A S S S- 0 0 37 2,-2.1 3,-0.1 -2,-0.4 26,-0.1 -0.391 97.8 -48.5-133.7 45.4 51.2 7.5 42.3 21 38 A G S S+ 0 0 70 1,-0.1 2,-0.3 26,-0.1 -2,-0.1 0.419 139.8 34.0 101.7 -4.4 54.1 5.6 44.0 22 39 A Y S S- 0 0 131 -4,-0.0 -2,-2.1 0, 0.0 2,-0.3 -0.910 101.0 -87.2-167.1 161.4 54.2 3.2 41.0 23 40 A H E +J 19 0C 31 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.639 50.7 157.7 -79.1 130.8 53.6 3.5 37.2 24 41 A F E + 0 0 31 -6,-2.1 151,-0.3 1,-0.4 2,-0.3 0.638 59.1 4.5-128.1 -29.0 49.9 3.0 36.4 25 42 A b E -J 18 0C 8 -7,-0.9 -7,-2.9 151,-0.1 -1,-0.4 -0.933 61.3-125.7-150.2 171.3 49.3 4.8 33.0 26 43 A G E -J 17 0C 2 151,-2.6 12,-0.4 -2,-0.3 2,-0.3 -0.476 25.2-179.4-109.9-179.9 51.0 6.6 30.2 27 44 A G E -J 16 0C 0 -11,-1.2 -11,-2.1 -2,-0.2 2,-0.4 -0.961 23.8-113.5-169.3 173.8 50.3 10.0 28.7 28 45 A S E -JL 15 36C 1 8,-2.4 8,-2.3 -2,-0.3 2,-0.6 -0.989 19.5-131.9-128.3 130.7 51.4 12.5 26.0 29 46 A L E + L 0 35C 0 -15,-2.4 74,-1.7 -2,-0.4 6,-0.2 -0.672 28.0 172.4 -78.8 120.0 53.0 15.8 26.6 30 47 A I E - 0 0 19 4,-2.2 2,-0.3 -2,-0.6 5,-0.2 0.630 68.7 -7.2-105.0 -16.3 51.2 18.3 24.3 31 48 A N E > S- L 0 34C 47 3,-1.3 3,-0.8 70,-0.1 -1,-0.3 -0.946 90.6 -80.5-160.7 176.3 52.8 21.6 25.5 32 49 A S T 3 S+ 0 0 41 -2,-0.3 62,-2.6 1,-0.2 60,-0.1 0.679 127.4 30.8 -66.9 -9.1 55.1 22.4 28.4 33 50 A Q T 3 S+ 0 0 64 60,-0.2 57,-2.7 1,-0.1 2,-0.4 0.390 110.5 66.1-126.4 6.5 52.4 22.5 31.0 34 51 A W E < -LM 31 89C 10 -3,-0.8 -4,-2.2 55,-0.2 -3,-1.3 -0.992 47.9-174.5-136.4 141.8 49.8 19.9 29.7 35 52 A V E -LM 29 88C 0 53,-2.3 53,-2.3 -2,-0.4 2,-0.4 -0.931 15.9-144.6-125.6 149.8 49.6 16.2 29.2 36 53 A V E +LM 28 87C 1 -8,-2.3 -8,-2.4 -2,-0.3 2,-0.2 -0.954 32.7 149.1-117.7 137.6 46.7 14.2 27.7 37 54 A S E - M 0 86C 0 49,-2.3 49,-2.2 -2,-0.4 2,-0.3 -0.718 51.1 -69.0-145.2-166.4 45.9 10.7 29.0 38 55 A A > - 0 0 0 -12,-0.4 3,-1.6 47,-0.3 47,-0.3 -0.726 33.7-128.4 -96.8 146.3 42.7 8.7 29.4 39 56 A A G > S+ 0 0 4 -2,-0.3 3,-1.6 1,-0.3 -1,-0.1 0.817 107.2 62.9 -63.8 -30.3 39.9 9.6 31.8 40 57 A H G 3 S+ 0 0 69 1,-0.3 -1,-0.3 41,-0.1 44,-0.0 0.518 94.0 63.3 -76.7 3.4 39.9 6.2 33.3 41 58 A b G < S+ 0 0 5 -3,-1.6 -1,-0.3 2,-0.0 -2,-0.2 0.334 79.8 128.0-102.2 5.1 43.5 6.7 34.5 42 59 A Y < + 0 0 120 -3,-1.6 2,-0.3 -4,-0.1 -3,-0.0 -0.292 21.6 130.8 -64.9 153.1 42.2 9.6 36.7 43 60 A K - 0 0 53 3,-0.0 3,-0.2 0, 0.0 2,-0.2 -0.879 52.4 -98.1 174.9 165.4 43.1 9.7 40.4 44 61 A S S S+ 0 0 96 -2,-0.3 25,-0.0 1,-0.2 0, 0.0 -0.532 96.3 45.9 -96.2 167.0 44.4 12.2 42.8 45 62 A G S S+ 0 0 65 1,-0.2 2,-0.4 -2,-0.2 -1,-0.2 0.975 73.4 165.0 68.9 52.4 48.0 12.4 43.8 46 63 A I - 0 0 9 -3,-0.2 21,-1.8 21,-0.1 2,-0.5 -0.836 21.7-166.8-105.0 140.2 49.5 12.0 40.4 47 64 A Q E -KN 19 66C 51 -28,-2.2 -28,-2.9 -2,-0.4 2,-0.5 -0.992 17.2-141.2-122.7 131.9 53.2 12.9 39.7 48 65 A V E -KN 18 65C 0 17,-3.2 17,-2.4 -2,-0.5 2,-0.6 -0.819 10.8-157.0 -98.0 132.1 54.1 13.1 36.0 49 65AA R E -KN 17 64C 50 -32,-2.5 -32,-1.8 -2,-0.5 3,-0.3 -0.950 13.6-177.5-117.0 112.8 57.4 11.7 35.0 50 66 A L E + N 0 63C 2 13,-2.9 13,-2.1 -2,-0.6 -34,-0.1 -0.661 61.2 29.7-104.5 160.3 58.9 13.1 31.8 51 69 A G S S+ 0 0 7 -36,-0.4 -1,-0.2 -38,-0.3 2,-0.2 0.697 85.8 151.0 62.3 27.6 62.2 12.0 30.1 52 70 A E + 0 0 12 -37,-0.4 -42,-0.4 -3,-0.3 -1,-0.2 -0.476 22.6 152.3 -88.5 157.8 61.9 8.5 31.4 53 71 A D S S+ 0 0 19 1,-0.3 2,-0.8 4,-0.2 82,-0.6 0.282 79.0 34.5-143.3 -69.8 63.2 5.3 29.9 54 72 A N B > S-P 134 0D 23 80,-0.2 3,-1.1 3,-0.2 -1,-0.3 -0.846 73.4-160.7 -93.1 110.8 63.9 2.9 32.7 55 73 A I T 3 S+ 0 0 31 78,-2.8 -1,-0.1 -2,-0.8 79,-0.1 0.598 83.5 54.0 -71.5 -8.0 61.1 3.7 35.3 56 74 A N T 3 S+ 0 0 115 77,-0.2 2,-0.3 1,-0.1 -1,-0.2 0.458 106.0 50.9-104.6 0.5 62.9 2.1 38.2 57 75 A V S < S- 0 0 71 -3,-1.1 2,-0.4 76,-0.2 -4,-0.2 -0.996 74.7-132.4-133.7 137.0 66.3 3.9 38.1 58 76 A V + 0 0 111 -2,-0.3 3,-0.1 1,-0.1 -3,-0.1 -0.756 37.8 161.1 -86.0 134.3 67.0 7.7 37.8 59 77 A E - 0 0 115 -2,-0.4 -1,-0.1 1,-0.2 2,-0.1 0.421 57.1 -82.1-130.5 -9.7 69.6 7.8 35.0 60 78 A G S S+ 0 0 33 -9,-0.0 -1,-0.2 0, 0.0 3,-0.1 -0.196 103.6 65.7 115.0 152.9 69.3 11.4 34.0 61 79 A N S S+ 0 0 77 1,-0.3 2,-0.1 -2,-0.1 -9,-0.1 0.226 70.0 133.3 85.5 -6.1 66.9 13.5 31.8 62 80 A E - 0 0 34 -13,-0.0 2,-0.4 2,-0.0 -1,-0.3 -0.445 34.8-172.9 -78.3 147.3 64.0 12.8 34.1 63 81 A Q E -N 50 0C 36 -13,-2.1 -13,-2.9 -2,-0.1 2,-0.5 -0.987 5.0-165.6-135.8 123.9 61.7 15.7 35.2 64 82 A F E +N 49 0C 75 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.981 16.3 169.3-114.7 121.4 59.1 14.8 38.0 65 83 A I E -N 48 0C 16 -17,-2.4 -17,-3.2 -2,-0.5 2,-0.2 -0.981 30.6-122.8-133.0 144.8 56.3 17.4 38.3 66 84 A S E -N 47 0C 53 -2,-0.4 25,-2.8 -19,-0.2 26,-0.3 -0.556 31.1-108.1 -86.8 154.6 53.1 17.2 40.2 67 85 A A E -O 90 0C 23 -21,-1.8 23,-0.3 23,-0.2 -21,-0.1 -0.631 20.2-160.5 -80.0 139.4 49.8 17.7 38.5 68 86 A S E S- 0 0 75 21,-2.6 2,-0.3 1,-0.4 22,-0.2 0.921 75.1 -14.5 -84.7 -52.9 48.0 21.0 39.3 69 87 A K E -O 89 0C 90 20,-0.6 20,-2.2 -25,-0.0 2,-0.4 -0.922 58.4-143.1-143.7 163.7 44.5 19.8 38.2 70 88 A S E -O 88 0C 34 -2,-0.3 2,-0.6 18,-0.2 18,-0.2 -0.995 12.9-158.8-130.5 130.1 43.2 16.9 36.1 71 89 A I E -O 87 0C 31 16,-3.1 16,-2.1 -2,-0.4 2,-0.3 -0.925 5.5-163.6-116.3 102.4 40.2 17.6 33.8 72 90 A V E -O 86 0C 46 -2,-0.6 14,-0.2 14,-0.2 12,-0.1 -0.642 40.2 -93.5 -82.8 144.9 38.3 14.5 32.8 73 91 A H > - 0 0 23 12,-1.9 3,-1.7 10,-0.3 -1,-0.1 -0.391 33.1-129.7 -57.4 133.3 36.0 15.0 29.8 74 92 A P T 3 S+ 0 0 107 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.748 106.2 48.7 -61.2 -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 0.127 77.3 137.1-100.2 20.4 30.8 13.3 29.0 76 94 A Y < - 0 0 59 -3,-1.7 2,-0.5 9,-0.1 7,-0.2 -0.513 39.7-159.0 -66.2 133.4 33.1 10.6 30.0 77 95 A N B >> -Q 82 0E 66 5,-1.8 4,-2.7 -2,-0.2 5,-0.6 -0.963 8.0-159.6-116.7 110.1 31.0 7.4 30.6 78 96 A S T 45S+ 0 0 80 -2,-0.5 -1,-0.1 1,-0.2 -2,-0.0 0.689 88.9 56.3 -66.8 -14.6 32.8 4.8 32.7 79 97 A N T 45S+ 0 0 146 1,-0.1 -1,-0.2 3,-0.1 -3,-0.0 0.912 123.4 19.8 -85.2 -38.5 30.7 2.1 31.5 80 98 A T T 45S- 0 0 67 -3,-0.2 -2,-0.2 2,-0.1 3,-0.1 0.662 94.1-132.8-100.0 -17.8 31.2 2.5 27.8 81 99 A L T ><5 + 0 0 32 -4,-2.7 3,-0.8 1,-0.3 2,-0.2 0.690 48.2 160.3 69.8 28.6 34.5 4.4 28.1 82 100 A N B 3 < +Q 77 0E 36 -5,-0.6 -5,-1.8 1,-0.3 -1,-0.3 -0.574 65.5 19.1 -75.7 144.9 33.1 6.8 25.5 83 101 A N T 3 S+ 0 0 21 -2,-0.2 2,-2.3 -7,-0.2 -10,-0.3 0.884 80.1 174.9 61.4 44.1 35.0 10.1 25.7 84 102 A D < + 0 0 1 -3,-0.8 2,-0.3 75,-0.2 -1,-0.2 -0.423 31.7 114.4 -80.9 73.7 37.9 8.5 27.5 85 103 A I + 0 0 0 -2,-2.3 -12,-1.9 -47,-0.3 2,-0.3 -0.986 36.8 180.0-140.7 150.0 40.2 11.5 27.5 86 104 A M E -MO 37 72C 0 -49,-2.2 -49,-2.3 -2,-0.3 2,-0.4 -0.990 16.2-144.9-148.3 146.5 41.6 13.7 30.4 87 105 A L E -MO 36 71C 0 -16,-2.1 -16,-3.1 -2,-0.3 2,-0.4 -0.897 10.4-160.4-114.0 145.9 44.0 16.7 30.5 88 106 A I E -MO 35 70C 0 -53,-2.3 -53,-2.3 -2,-0.4 2,-0.4 -0.999 5.9-152.2-127.1 129.7 46.5 17.2 33.3 89 107 A K E -MO 34 69C 46 -20,-2.2 -21,-2.6 -2,-0.4 -20,-0.6 -0.768 21.0-130.5 -97.9 146.4 48.0 20.6 33.9 90 108 A L E - 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