==== 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 1O2Y . 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) . 9115.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 132 59.2 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 . 67 30.0 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 . 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 . 2 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 0.000 360.0 360.0 360.0 127.3 52.9 -3.6 25.2 2 17 A V B +A 171 0A 10 169,-2.9 169,-2.1 1,-0.2 123,-0.1 -0.896 360.0 7.6-106.1 131.2 52.8 -7.2 24.1 3 18 A G S S+ 0 0 47 121,-0.5 -1,-0.2 -2,-0.4 2,-0.1 0.697 101.5 123.6 73.2 22.6 55.0 -8.3 21.1 4 19 A G - 0 0 33 -3,-0.3 2,-0.3 167,-0.1 134,-0.2 -0.181 54.0-120.6-100.6-166.8 56.8 -4.9 21.0 5 20 A Y E -B 137 0B 91 132,-2.4 132,-2.8 -3,-0.1 2,-0.3 -0.910 35.1 -84.6-134.9 162.1 60.4 -3.9 21.1 6 21 A T E -B 136 0B 72 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.508 35.7-149.1 -67.7 125.4 62.5 -1.7 23.3 7 22 A a - 0 0 17 128,-2.4 -1,-0.2 -2,-0.3 129,-0.1 0.895 35.6-113.4 -64.6 -42.1 62.2 1.8 22.0 8 23 A G > - 0 0 28 127,-0.5 3,-1.8 4,-0.0 4,-0.3 0.095 49.4 -58.8 111.0 136.1 65.6 3.0 23.0 9 24 A A T 3 S- 0 0 53 1,-0.3 44,-0.1 2,-0.1 43,-0.0 -0.204 117.7 -8.4 -53.4 131.2 66.1 5.7 25.7 10 25 A N T 3 S+ 0 0 37 42,-0.4 -1,-0.3 2,-0.1 43,-0.1 0.631 90.3 124.7 54.6 28.8 64.4 9.0 25.0 11 26 A T S < S+ 0 0 81 -3,-1.8 -2,-0.1 1,-0.3 -1,-0.1 0.534 77.1 49.4 -87.5 -7.3 63.4 8.1 21.4 12 27 A V S > S+ 0 0 8 -4,-0.3 3,-1.8 87,-0.1 -1,-0.3 -0.701 73.6 173.2-127.4 74.4 59.7 8.8 22.2 13 28 A P T 3 S+ 0 0 32 0, 0.0 88,-1.3 0, 0.0 38,-0.3 0.609 72.0 56.8 -68.6 -14.1 60.2 12.3 23.9 14 29 A Y T 3 S+ 0 0 21 86,-0.2 15,-2.5 88,-0.1 2,-0.2 0.480 81.9 108.8 -93.9 -5.2 56.5 13.1 24.3 15 30 A Q E < -J 28 0C 7 -3,-1.8 36,-0.5 13,-0.2 37,-0.4 -0.527 47.9-175.0 -73.3 133.6 55.8 9.9 26.3 16 31 A V E -J 27 0C 0 11,-2.3 11,-1.2 -2,-0.2 2,-0.4 -0.895 19.6-138.2-127.8 160.8 55.1 10.5 30.0 17 32 A S E -JK 26 49C 1 32,-2.2 32,-2.8 -2,-0.3 2,-0.6 -0.959 14.1-142.3-116.0 132.6 54.6 8.0 33.0 18 33 A L E -JK 25 48C 0 7,-3.1 6,-2.5 -2,-0.4 7,-1.1 -0.889 27.2-168.5 -99.8 123.1 51.8 8.9 35.5 19 34 A N E +JK 23 47C 17 28,-2.9 28,-2.2 -2,-0.6 4,-0.2 -0.957 32.3 168.1-121.1 131.8 53.1 7.8 38.9 20 37 A S S S- 0 0 35 2,-2.1 3,-0.1 -2,-0.4 26,-0.1 -0.349 96.5 -49.2-130.8 44.6 51.3 7.5 42.3 21 38 A G S S+ 0 0 71 1,-0.1 2,-0.3 26,-0.1 -2,-0.1 0.402 140.0 32.4 100.4 -1.1 54.2 5.7 44.1 22 39 A Y S S- 0 0 131 -4,-0.0 -2,-2.1 0, 0.0 2,-0.3 -0.914 103.4 -83.3-172.1 159.5 54.4 3.3 41.1 23 40 A H E +J 19 0C 31 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.603 51.3 159.0 -74.7 128.2 53.7 3.6 37.3 24 41 A F E + 0 0 30 -6,-2.5 2,-0.3 1,-0.4 151,-0.3 0.587 59.0 1.2-126.3 -21.3 49.9 3.2 36.6 25 42 A b E -J 18 0C 7 -7,-1.1 -7,-3.1 151,-0.1 -1,-0.4 -0.977 60.4-125.7-159.1 167.5 49.3 4.9 33.2 26 43 A G E +J 17 0C 2 151,-2.9 12,-0.4 -2,-0.3 2,-0.3 -0.435 25.3 176.6-107.1-178.0 51.0 6.6 30.3 27 44 A G E -J 16 0C 0 -11,-1.2 -11,-2.3 -2,-0.2 2,-0.4 -0.956 25.4-112.3-173.0 174.6 50.2 10.0 28.7 28 45 A S E -JL 15 36C 1 8,-2.4 8,-2.4 -2,-0.3 2,-0.6 -0.990 19.8-129.2-128.7 134.2 51.5 12.4 26.0 29 46 A L E + L 0 35C 0 -15,-2.5 74,-2.0 -2,-0.4 6,-0.2 -0.693 28.4 172.9 -79.7 120.0 53.1 15.9 26.5 30 47 A I E - 0 0 19 4,-2.4 2,-0.3 -2,-0.6 5,-0.2 0.595 69.4 -8.4-105.8 -13.6 51.2 18.3 24.1 31 48 A N E > S- L 0 34C 47 3,-1.3 3,-0.8 70,-0.1 -1,-0.3 -0.934 91.2 -79.8-164.2 173.6 52.8 21.5 25.3 32 49 A S T 3 S+ 0 0 44 -2,-0.3 62,-2.7 1,-0.2 60,-0.1 0.620 127.3 30.9 -65.2 -8.0 55.2 22.4 28.2 33 50 A Q T 3 S+ 0 0 62 60,-0.2 57,-2.9 1,-0.1 2,-0.4 0.408 110.3 67.5-127.2 2.5 52.4 22.5 30.8 34 51 A W E < -LM 31 89C 10 -3,-0.8 -4,-2.4 55,-0.2 -3,-1.3 -0.981 48.1-173.5-134.4 143.5 49.8 20.0 29.6 35 52 A V E -LM 29 88C 0 53,-2.4 53,-2.6 -2,-0.4 2,-0.4 -0.953 15.3-145.3-126.3 143.7 49.5 16.3 29.2 36 53 A V E +LM 28 87C 0 -8,-2.4 -8,-2.4 -2,-0.3 2,-0.2 -0.915 33.6 148.1-111.4 138.2 46.7 14.3 27.5 37 54 A S E - M 0 86C 0 49,-2.8 49,-2.2 -2,-0.4 2,-0.4 -0.704 50.1 -69.0-146.3-164.1 45.9 10.8 29.0 38 55 A A > - 0 0 0 -12,-0.4 3,-1.9 47,-0.3 47,-0.3 -0.801 31.8-131.1-103.0 141.7 42.7 8.7 29.4 39 56 A A G > S+ 0 0 3 -2,-0.4 3,-1.9 1,-0.3 -1,-0.1 0.844 106.3 63.8 -58.4 -35.0 39.9 9.6 31.8 40 57 A H G 3 S+ 0 0 69 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.524 93.9 63.0 -71.6 0.5 39.9 6.1 33.3 41 58 A b G < S+ 0 0 6 -3,-1.9 -1,-0.3 -15,-0.0 -2,-0.2 0.374 78.8 128.6 -99.0 0.1 43.4 6.8 34.5 42 59 A Y < + 0 0 121 -3,-1.9 2,-0.3 -4,-0.1 -3,-0.0 -0.248 20.4 129.2 -61.1 145.4 42.2 9.6 36.7 43 60 A K - 0 0 54 3,-0.0 3,-0.2 0, 0.0 2,-0.2 -0.909 53.3-100.5-178.7 166.9 43.0 9.7 40.5 44 61 A S S S+ 0 0 97 -2,-0.3 25,-0.0 1,-0.2 0, 0.0 -0.507 95.3 49.7 -98.0 171.7 44.5 12.3 42.8 45 62 A G S S+ 0 0 67 1,-0.2 2,-0.4 -2,-0.2 -1,-0.2 0.912 73.6 165.6 69.7 42.5 48.1 12.4 43.9 46 63 A I - 0 0 11 -3,-0.2 21,-2.0 21,-0.1 2,-0.4 -0.777 21.2-169.2 -95.8 134.9 49.5 12.1 40.4 47 64 A Q E -KN 19 66C 52 -28,-2.2 -28,-2.9 -2,-0.4 2,-0.5 -0.974 17.5-141.4-117.4 132.7 53.2 13.0 39.7 48 65 A V E -KN 18 65C 0 17,-3.1 17,-2.6 -2,-0.4 2,-0.6 -0.860 11.2-156.9 -99.1 129.1 54.0 13.2 35.9 49 65AA R E -KN 17 64C 50 -32,-2.8 -32,-2.2 -2,-0.5 3,-0.3 -0.955 13.2-176.3-115.1 115.2 57.4 11.8 35.0 50 66 A L E + N 0 63C 2 13,-2.7 13,-2.0 -2,-0.6 -34,-0.1 -0.673 61.8 29.7-105.6 157.3 58.9 13.1 31.8 51 69 A G S S+ 0 0 6 -36,-0.5 2,-0.2 -38,-0.3 -1,-0.2 0.693 85.6 152.0 63.7 26.1 62.2 12.0 30.1 52 70 A E + 0 0 11 -37,-0.4 -42,-0.4 -3,-0.3 -1,-0.2 -0.495 22.3 150.8 -87.9 153.5 61.9 8.5 31.4 53 71 A D S S+ 0 0 17 1,-0.3 2,-0.8 4,-0.2 82,-0.5 0.307 79.8 34.7-139.4 -70.1 63.2 5.3 30.0 54 72 A N S > S- 0 0 22 3,-0.2 3,-1.2 80,-0.2 -1,-0.3 -0.825 71.6-163.5 -92.3 109.8 63.9 2.9 32.9 55 73 A I T 3 S+ 0 0 27 78,-2.5 -1,-0.1 -2,-0.8 79,-0.1 0.566 85.0 53.9 -73.4 -5.0 61.1 3.8 35.4 56 74 A N T 3 S+ 0 0 115 77,-0.2 2,-0.4 1,-0.1 -1,-0.2 0.447 107.0 52.3-105.6 -3.3 62.9 2.1 38.3 57 75 A V S < S- 0 0 72 -3,-1.2 2,-0.6 76,-0.2 -4,-0.2 -0.999 73.6-134.5-134.2 132.8 66.2 4.0 38.0 58 76 A V + 0 0 112 -2,-0.4 3,-0.1 1,-0.2 -3,-0.1 -0.746 37.7 161.0 -84.0 121.9 67.0 7.7 37.8 59 77 A E - 0 0 114 -2,-0.6 -1,-0.2 1,-0.3 2,-0.1 0.481 57.0 -84.8-118.5 -11.7 69.5 7.7 34.9 60 78 A G S S+ 0 0 32 -3,-0.1 -1,-0.3 -9,-0.0 3,-0.1 -0.216 103.2 66.7 114.8 155.3 69.3 11.4 34.0 61 79 A N S S+ 0 0 75 1,-0.3 2,-0.2 -2,-0.1 -9,-0.1 0.242 70.2 131.9 83.9 -3.5 66.9 13.4 31.8 62 80 A E - 0 0 31 -13,-0.0 2,-0.4 2,-0.0 -1,-0.3 -0.499 36.3-171.7 -80.5 146.6 64.0 12.8 34.1 63 81 A Q E -N 50 0C 38 -13,-2.0 -13,-2.7 -2,-0.2 2,-0.5 -0.985 6.0-162.7-135.5 122.2 61.8 15.7 35.2 64 82 A F E +N 49 0C 80 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.957 17.7 169.6-110.3 120.8 59.2 14.8 38.0 65 83 A I E -N 48 0C 22 -17,-2.6 -17,-3.1 -2,-0.5 2,-0.1 -0.998 30.8-123.8-133.9 134.8 56.4 17.4 38.2 66 84 A S E -N 47 0C 52 -2,-0.4 25,-2.8 -19,-0.2 26,-0.3 -0.406 30.5-111.2 -75.1 154.7 53.1 17.2 40.2 67 85 A A E -O 90 0C 22 -21,-2.0 23,-0.3 23,-0.2 -21,-0.1 -0.690 20.9-161.8 -82.8 138.1 49.9 17.6 38.3 68 86 A S E S- 0 0 78 21,-3.2 2,-0.3 1,-0.4 22,-0.2 0.888 74.4 -8.1 -86.7 -50.0 48.0 20.9 39.3 69 87 A K E -O 89 0C 86 20,-1.0 20,-2.5 2,-0.0 2,-0.4 -0.968 56.9-148.6-143.8 159.4 44.6 19.8 38.0 70 88 A S E -O 88 0C 33 -2,-0.3 2,-0.6 18,-0.2 18,-0.2 -0.997 12.9-160.5-129.6 130.1 43.2 16.8 36.0 71 89 A I E -O 87 0C 33 16,-3.2 16,-2.1 -2,-0.4 2,-0.3 -0.923 5.1-161.6-118.2 103.1 40.2 17.6 33.7 72 90 A V E -O 86 0C 45 -2,-0.6 14,-0.2 14,-0.2 12,-0.1 -0.639 39.7 -92.1 -83.3 142.8 38.3 14.5 32.8 73 91 A H > - 0 0 23 12,-2.1 3,-2.0 -2,-0.3 -1,-0.1 -0.309 33.5-130.6 -54.3 129.2 36.0 14.9 29.8 74 92 A P T 3 S+ 0 0 109 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.770 106.7 47.8 -57.1 -28.3 32.5 16.0 31.2 75 93 A S T 3 S+ 0 0 76 2,-0.1 2,-0.2 8,-0.1 -2,-0.1 0.137 78.2 137.6-100.8 19.4 30.8 13.3 29.0 76 94 A Y < - 0 0 58 -3,-2.0 2,-0.6 9,-0.1 7,-0.2 -0.494 38.9-159.1 -65.7 134.6 33.1 10.5 30.0 77 95 A N > - 0 0 64 5,-1.9 4,-2.5 -2,-0.2 5,-0.5 -0.968 7.4-160.6-118.0 111.1 31.1 7.3 30.6 78 96 A S T 4 S+ 0 0 80 -2,-0.6 -1,-0.1 1,-0.2 -2,-0.0 0.720 88.6 56.0 -68.8 -16.1 33.0 4.8 32.7 79 97 A N T 4 S+ 0 0 147 1,-0.1 -1,-0.2 3,-0.1 -3,-0.0 0.913 123.6 20.6 -83.9 -38.6 30.8 2.0 31.6 80 98 A T T 4 S- 0 0 68 2,-0.1 -2,-0.2 -3,-0.1 77,-0.1 0.627 94.0-132.7-100.6 -14.6 31.3 2.3 27.9 81 99 A L >< + 0 0 30 -4,-2.5 3,-0.8 1,-0.3 2,-0.2 0.657 48.2 160.3 68.1 24.0 34.6 4.3 28.1 82 100 A N T 3 + 0 0 36 -5,-0.5 -5,-1.9 1,-0.3 -1,-0.3 -0.570 68.5 17.5 -72.6 140.8 33.1 6.7 25.5 83 101 A N T 3 S+ 0 0 18 -7,-0.2 2,-2.2 -2,-0.2 -10,-0.3 0.896 80.0 175.0 62.0 46.1 35.1 10.0 25.7 84 102 A D < + 0 0 0 -3,-0.8 2,-0.3 75,-0.2 -1,-0.2 -0.490 34.0 115.5 -82.5 74.0 37.9 8.3 27.5 85 103 A I + 0 0 0 -2,-2.2 -12,-2.1 -47,-0.3 2,-0.3 -0.996 37.0 178.7-144.6 146.2 40.2 11.4 27.5 86 104 A M E -MO 37 72C 0 -49,-2.2 -49,-2.8 -2,-0.3 2,-0.4 -0.992 17.3-144.3-148.8 146.1 41.6 13.7 30.3 87 105 A L E -MO 36 71C 0 -16,-2.1 -16,-3.2 -2,-0.3 2,-0.4 -0.894 12.1-162.3-112.7 141.0 43.9 16.7 30.4 88 106 A I E -MO 35 70C 0 -53,-2.6 -53,-2.4 -2,-0.4 2,-0.4 -0.992 6.7-151.8-124.4 131.8 46.5 17.2 33.2 89 107 A K E -MO 34 69C 47 -20,-2.5 -21,-3.2 -2,-0.4 -20,-1.0 -0.856 21.0-129.5-102.1 137.9 48.0 20.6 33.8 90 108 A L E - 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