==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JUN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 24-JUL-89 1TLD . COMPND 2 MOLECULE: BETA-TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR H.D.BARTUNIK,L.J.SUMMERS,H.H.BARTSCH . 223 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9255.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 138 61.9 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 . 72 32.3 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 . 4 1.8 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 . 18 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 9.4 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 . 0 0.0 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 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 3,-0.4 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 120.3 11.0 3.6 25.3 2 17 A V B +A 171 0A 8 169,-2.9 169,-1.8 1,-0.2 123,-0.1 -0.810 360.0 8.8-100.3 128.1 11.1 7.3 24.3 3 18 A G S S+ 0 0 46 121,-0.6 -1,-0.2 -2,-0.4 2,-0.1 0.699 103.0 119.2 81.5 13.3 8.9 8.4 21.3 4 19 A G - 0 0 33 -3,-0.4 2,-0.3 167,-0.1 134,-0.2 -0.062 55.7-114.8 -98.9-159.0 7.1 5.1 21.0 5 20 A Y E -B 137 0B 99 132,-2.7 132,-2.9 -3,-0.1 2,-0.4 -0.968 33.5 -87.0-135.3 161.8 3.6 3.9 21.3 6 21 A T E -B 136 0B 71 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.480 38.2-151.7 -66.8 115.0 1.3 1.7 23.4 7 22 A a - 0 0 18 128,-2.0 -1,-0.2 -2,-0.4 129,-0.1 0.840 34.6-111.7 -55.7 -44.0 1.8 -1.8 22.0 8 23 A G > - 0 0 25 127,-0.5 3,-2.1 4,-0.0 4,-0.3 0.114 47.1 -59.0 105.9 130.6 -1.6 -3.2 22.9 9 24 A A T 3 S- 0 0 56 1,-0.3 44,-0.1 2,-0.1 43,-0.1 -0.246 117.3 -10.7 -51.9 128.8 -2.1 -5.9 25.5 10 25 A N T 3 S+ 0 0 29 42,-0.3 -1,-0.3 2,-0.2 43,-0.1 0.577 90.8 126.5 58.3 24.1 -0.4 -9.1 24.7 11 26 A T S < S+ 0 0 83 -3,-2.1 -2,-0.1 1,-0.2 -1,-0.1 0.524 77.0 47.6 -79.6 -13.2 0.6 -8.0 21.1 12 27 A V S > S+ 0 0 8 -4,-0.3 3,-1.9 87,-0.1 -1,-0.2 -0.739 73.4 173.2-125.9 70.3 4.3 -8.9 22.0 13 28 A P T 3 S+ 0 0 33 0, 0.0 88,-1.6 0, 0.0 38,-0.3 0.575 71.9 56.7 -70.1 -13.2 3.7 -12.3 23.5 14 29 A Y T 3 S+ 0 0 20 86,-0.2 15,-2.3 88,-0.1 2,-0.4 0.424 81.4 109.2 -91.0 -8.3 7.4 -13.1 23.9 15 30 A Q E < -J 28 0C 5 -3,-1.9 36,-0.5 13,-0.2 37,-0.4 -0.565 50.2-170.5 -72.7 131.7 8.2 -10.0 25.9 16 31 A V E -J 27 0C 0 11,-2.6 11,-1.1 -2,-0.4 2,-0.5 -0.883 18.2-138.2-118.8 158.5 9.0 -10.7 29.6 17 32 A S E -JK 26 49C 1 32,-2.6 32,-3.1 -2,-0.3 2,-0.6 -0.950 13.2-145.2-106.8 128.2 9.4 -8.5 32.6 18 33 A L E -JK 25 48C 0 7,-3.2 6,-2.9 -2,-0.5 7,-1.2 -0.866 27.7-168.9 -93.3 126.4 12.2 -9.3 35.1 19 34 A N E +JK 23 47C 13 28,-3.1 28,-2.9 -2,-0.6 4,-0.2 -0.952 36.0 165.1-127.8 134.4 11.0 -8.5 38.6 20 37 A S S S- 0 0 39 2,-2.3 3,-0.1 -2,-0.4 26,-0.1 -0.407 96.8 -50.2-135.0 48.7 12.5 -8.2 42.0 21 38 A G S S+ 0 0 73 26,-0.1 2,-0.3 0, 0.0 -2,-0.1 0.441 139.8 35.8 89.3 5.3 9.6 -6.4 43.8 22 39 A Y S S- 0 0 129 0, 0.0 -2,-2.3 0, 0.0 2,-0.3 -0.880 101.3 -88.7-170.7 156.7 9.7 -4.0 40.9 23 40 A H E +J 19 0C 28 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.548 49.0 160.8 -74.5 128.0 10.3 -4.2 37.1 24 41 A F E - 0 0 25 -6,-2.9 2,-0.3 1,-0.4 151,-0.2 0.608 57.3 -0.1-125.9 -18.5 14.0 -3.8 36.4 25 42 A b E -J 18 0C 7 -7,-1.2 -7,-3.2 151,-0.1 -1,-0.4 -0.987 61.4-123.7-160.4 164.2 14.7 -5.2 33.0 26 43 A G E +J 17 0C 1 151,-3.3 12,-0.4 -2,-0.3 2,-0.3 -0.421 25.0 174.1 -98.3-175.1 13.1 -6.9 30.0 27 44 A G E -J 16 0C 0 -11,-1.1 -11,-2.6 10,-0.1 2,-0.4 -0.927 25.5-112.3-177.7 175.1 13.8 -10.3 28.2 28 45 A S E -JL 15 36C 1 8,-1.9 8,-2.8 -2,-0.3 2,-0.5 -0.998 20.3-126.3-130.3 133.9 12.4 -12.6 25.5 29 46 A L E + L 0 35C 0 -15,-2.3 74,-2.3 -2,-0.4 6,-0.2 -0.702 28.4 173.7 -77.7 115.6 10.9 -16.0 25.8 30 47 A I E - 0 0 20 4,-2.2 2,-0.3 -2,-0.5 5,-0.2 0.580 68.6 -12.7-108.2 -5.2 12.9 -18.3 23.4 31 48 A N E > S- L 0 34C 52 3,-1.1 3,-0.7 70,-0.1 -1,-0.3 -0.911 89.0 -74.9-173.1-177.8 11.1 -21.6 24.4 32 49 A S T 3 S+ 0 0 43 -2,-0.3 62,-3.1 1,-0.2 60,-0.1 0.764 127.9 27.1 -65.0 -20.7 8.9 -22.8 27.2 33 50 A Q T 3 S+ 0 0 50 60,-0.2 57,-2.9 1,-0.1 2,-0.4 0.342 110.7 68.6-115.0 1.5 11.7 -22.9 29.8 34 51 A W E < -LM 31 89C 10 -3,-0.7 -4,-2.2 55,-0.2 -3,-1.1 -0.989 47.8-172.3-137.9 133.1 14.3 -20.3 28.7 35 52 A V E -LM 29 88C 0 53,-2.8 53,-3.0 -2,-0.4 2,-0.4 -0.933 14.6-145.6-117.9 143.0 14.5 -16.5 28.5 36 53 A V E +LM 28 87C 0 -8,-2.8 -8,-1.9 -2,-0.4 51,-0.2 -0.942 32.6 148.6-105.1 139.4 17.3 -14.4 27.0 37 54 A S E - M 0 86C 0 49,-3.3 49,-2.3 -2,-0.4 2,-0.4 -0.700 49.3 -68.3-145.9-164.4 18.2 -11.0 28.6 38 55 A A > - 0 0 0 -12,-0.4 3,-1.9 47,-0.3 47,-0.3 -0.798 32.2-132.4 -93.3 144.8 21.2 -8.8 29.0 39 56 A A G > S+ 0 0 3 -2,-0.4 3,-2.1 1,-0.3 -1,-0.1 0.815 105.4 64.2 -56.2 -37.8 24.1 -9.8 31.3 40 57 A H G 3 S+ 0 0 70 1,-0.3 -1,-0.3 41,-0.1 152,-0.0 0.656 93.3 63.6 -71.7 -4.6 24.1 -6.4 32.9 41 58 A b G < S+ 0 0 5 -3,-1.9 -1,-0.3 -15,-0.1 -2,-0.2 0.395 74.6 134.0 -88.0 -4.0 20.6 -7.2 34.3 42 59 A Y < + 0 0 123 -3,-2.1 2,-0.3 -4,-0.1 -3,-0.0 -0.292 22.2 146.3 -55.5 129.7 22.0 -10.0 36.3 43 60 A K - 0 0 69 0, 0.0 3,-0.3 0, 0.0 2,-0.2 -0.965 47.3-111.8-144.1 166.1 20.7 -10.1 40.0 44 61 A S S S+ 0 0 100 -2,-0.3 0, 0.0 1,-0.2 0, 0.0 -0.518 97.2 42.2 -85.8 160.4 19.8 -12.8 42.5 45 62 A G S S+ 0 0 67 1,-0.2 2,-0.5 -2,-0.2 -1,-0.2 0.900 76.4 170.3 86.8 22.2 16.1 -13.2 43.3 46 63 A I - 0 0 9 -3,-0.3 21,-2.6 21,-0.1 2,-0.5 -0.737 18.4-167.3 -83.8 130.8 14.6 -12.8 39.8 47 64 A Q E -KN 19 66C 53 -28,-2.9 -28,-3.1 -2,-0.5 2,-0.6 -0.960 15.4-142.2-108.2 128.5 11.0 -13.5 39.1 48 65 A V E -KN 18 65C 0 17,-3.1 17,-2.7 -2,-0.5 2,-0.6 -0.783 11.8-160.0 -88.4 124.4 10.0 -13.8 35.5 49 66 A R E -KN 17 64C 51 -32,-3.1 -32,-2.6 -2,-0.6 3,-0.3 -0.930 11.4-174.0-110.8 114.4 6.7 -12.3 34.6 50 67 A L E + N 0 63C 2 13,-3.3 13,-2.4 -2,-0.6 -34,-0.1 -0.747 61.9 25.8-101.7 158.0 5.1 -13.5 31.4 51 69 A G S S+ 0 0 5 -36,-0.5 2,-0.2 -38,-0.3 -1,-0.2 0.696 84.1 156.9 65.6 21.9 2.0 -12.3 29.6 52 70 A E + 0 0 9 -37,-0.4 -42,-0.3 -3,-0.3 -1,-0.2 -0.565 21.2 152.9 -80.4 149.6 2.2 -8.9 31.2 53 71 A D S S+ 0 0 15 1,-0.4 2,-0.7 4,-0.3 -1,-0.2 0.424 79.5 32.2-126.8 -68.5 0.7 -5.7 29.8 54 72 A N S > S- 0 0 25 80,-0.2 3,-0.7 1,-0.2 -1,-0.4 -0.731 72.2-161.8 -84.7 114.0 0.1 -3.4 32.8 55 73 A I T 3 S+ 0 0 27 78,-3.0 -1,-0.2 -2,-0.7 79,-0.1 0.577 85.3 53.2 -77.7 -7.3 2.9 -4.3 35.2 56 74 A N T 3 S+ 0 0 112 77,-0.3 2,-0.4 1,-0.1 -1,-0.2 0.556 105.7 51.6-103.1 -12.1 1.1 -2.7 38.1 57 75 A V S < S- 0 0 76 -3,-0.7 2,-0.8 76,-0.2 -4,-0.3 -0.979 77.2-125.9-124.2 142.6 -2.2 -4.5 38.0 58 76 A V + 0 0 116 -2,-0.4 3,-0.1 1,-0.2 -3,-0.1 -0.798 41.1 161.1 -82.8 114.7 -3.1 -8.2 37.7 59 77 A E - 0 0 107 -2,-0.8 2,-0.2 1,-0.5 -1,-0.2 0.526 52.3 -87.5-106.1 -19.8 -5.3 -8.3 34.6 60 78 A G S S+ 0 0 34 -9,-0.0 -1,-0.5 0, 0.0 3,-0.1 -0.506 101.9 63.5 116.8 168.1 -5.3 -11.9 33.5 61 79 A N S S+ 0 0 70 -2,-0.2 2,-0.4 1,-0.2 -51,-0.0 0.627 72.7 133.4 56.8 18.0 -3.0 -13.9 31.3 62 80 A E - 0 0 34 -13,-0.0 2,-0.4 -10,-0.0 -11,-0.2 -0.780 35.5-170.2 -93.5 144.3 0.0 -13.4 33.6 63 81 A Q E -N 50 0C 35 -13,-2.4 -13,-3.3 -2,-0.4 2,-0.5 -0.996 5.9-160.7-130.0 124.3 2.3 -16.2 34.6 64 82 A F E +N 49 0C 85 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.929 18.3 171.5-103.1 116.5 4.9 -15.5 37.4 65 83 A I E -N 48 0C 18 -17,-2.7 -17,-3.1 -2,-0.5 2,-0.2 -0.990 28.6-125.4-131.6 127.2 7.8 -18.0 37.4 66 84 A S E -N 47 0C 50 -2,-0.4 25,-2.8 -19,-0.2 2,-0.3 -0.448 28.6-113.1 -63.2 143.7 11.0 -17.9 39.5 67 85 A A E -O 90 0C 17 -21,-2.6 23,-0.2 23,-0.2 -22,-0.1 -0.620 26.8-173.0 -72.6 138.3 14.3 -18.1 37.7 68 86 A S E S+ 0 0 68 21,-3.3 2,-0.3 1,-0.4 22,-0.2 0.847 73.0 11.9 -96.0 -47.3 16.1 -21.4 38.5 69 87 A K E -O 89 0C 74 20,-1.0 20,-2.4 2,-0.0 2,-0.5 -0.985 60.4-161.1-134.2 140.5 19.5 -20.6 36.8 70 88 A S E -O 88 0C 40 -2,-0.3 2,-0.6 18,-0.2 18,-0.2 -0.982 12.9-163.6-131.5 108.3 20.8 -17.3 35.5 71 89 A I E -O 87 0C 34 16,-3.3 16,-2.5 -2,-0.5 2,-0.2 -0.847 1.5-164.7-106.4 95.9 23.7 -17.8 33.0 72 90 A V E -O 86 0C 45 -2,-0.6 14,-0.2 14,-0.2 12,-0.1 -0.559 39.7 -98.0 -73.9 135.6 25.8 -14.7 32.3 73 91 A H > - 0 0 25 12,-2.4 3,-1.9 10,-0.3 -1,-0.1 -0.417 32.7-128.6 -54.2 130.8 28.0 -15.1 29.2 74 92 A P T 3 S+ 0 0 108 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.764 106.0 48.9 -59.7 -19.8 31.4 -16.1 30.5 75 93 A S T 3 S+ 0 0 76 8,-0.1 -2,-0.1 2,-0.1 9,-0.1 0.324 77.2 138.3-106.2 16.5 33.1 -13.4 28.5 76 94 A Y < - 0 0 58 -3,-1.9 2,-0.5 9,-0.1 7,-0.2 -0.296 37.5-159.7 -57.3 127.2 30.8 -10.6 29.6 77 95 A N > - 0 0 64 5,-1.9 4,-2.6 1,-0.1 5,-0.5 -0.966 7.6-161.7-114.4 116.7 32.8 -7.4 30.3 78 96 A S T 4 S+ 0 0 76 -2,-0.5 -1,-0.1 1,-0.2 -2,-0.0 0.637 87.1 56.0 -78.9 -4.7 31.0 -5.0 32.4 79 97 A N T 4 S+ 0 0 148 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.900 123.6 22.2 -91.7 -33.0 33.2 -2.0 31.5 80 98 A T T 4 S- 0 0 70 2,-0.1 -2,-0.2 -3,-0.1 -1,-0.1 0.573 94.2-132.7 -99.9 -20.8 32.7 -2.3 27.8 81 99 A L >< + 0 0 32 -4,-2.6 3,-0.8 1,-0.3 -3,-0.2 0.560 50.2 156.7 63.7 21.4 29.3 -4.3 27.8 82 100 A N T 3 + 0 0 34 -5,-0.5 -5,-1.9 1,-0.2 -1,-0.3 -0.498 66.5 19.0 -67.8 137.6 30.9 -6.6 25.2 83 101 A N T 3 S+ 0 0 19 -7,-0.2 2,-2.0 1,-0.2 -10,-0.3 0.901 79.6 176.3 65.7 39.9 29.0 -10.0 25.3 84 102 A D < + 0 0 0 -3,-0.8 2,-0.3 75,-0.2 -1,-0.2 -0.558 32.9 117.0 -81.9 75.1 26.0 -8.4 27.1 85 103 A I + 0 0 0 -2,-2.0 -12,-2.4 -47,-0.3 2,-0.3 -0.996 36.0 178.8-147.5 138.2 23.9 -11.5 27.1 86 104 A M E -MO 37 72C 0 -49,-2.3 -49,-3.3 -2,-0.3 2,-0.4 -0.990 16.0-148.0-140.3 140.6 22.4 -13.8 29.8 87 105 A L E -MO 36 71C 0 -16,-2.5 -16,-3.3 -2,-0.3 2,-0.5 -0.882 12.7-160.8-104.3 147.2 20.2 -16.9 29.6 88 106 A I E -MO 35 70C 0 -53,-3.0 -53,-2.8 -2,-0.4 2,-0.4 -0.996 6.2-149.3-129.4 126.0 17.7 -17.5 32.4 89 107 A K E -MO 34 69C 42 -20,-2.4 -21,-3.3 -2,-0.5 -20,-1.0 -0.779 18.9-130.7 -92.1 126.1 16.2 -21.0 33.0 90 108 A L E - 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