==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE(SERINE PROTEASE) 19-SEP-94 1TYN . COMPND 2 MOLECULE: BETA-TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR A.Y.LEE,M.HAGIHARA,R.KARMACHARYA,M.W.ALBERS,S.L.SCHREIBER, . 223 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9224.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 136 61.0 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 . 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 . 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 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 2 0, 0.0 2,-0.5 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 123.8 81.6 -2.7 55.8 2 17 A V B +A 171 0A 8 169,-3.2 169,-1.9 1,-0.2 123,-0.1 -0.878 360.0 5.4-100.8 129.8 82.6 0.2 58.0 3 18 A G S S+ 0 0 38 121,-0.5 -1,-0.2 -2,-0.5 169,-0.1 0.690 101.0 123.9 75.6 17.9 80.6 3.4 57.6 4 19 A G - 0 0 28 -3,-0.4 2,-0.3 167,-0.1 134,-0.2 -0.059 52.5-122.4 -92.5-159.6 78.1 1.9 55.1 5 20 A Y E -B 137 0B 95 132,-2.1 132,-2.9 -3,-0.1 2,-0.4 -0.942 36.0 -79.5-144.1 162.2 74.3 1.7 55.2 6 21 A T E -B 136 0B 74 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.513 38.3-151.6 -66.4 118.8 71.6 -1.0 55.0 7 22 A a - 0 0 19 128,-2.0 -1,-0.2 -2,-0.4 129,-0.1 0.901 37.0-113.4 -58.1 -46.8 71.3 -1.9 51.3 8 23 A G > - 0 0 26 127,-0.4 3,-1.8 4,-0.0 4,-0.3 0.051 45.9 -58.1 111.5 133.9 67.7 -3.0 51.5 9 24 A A T 3 S- 0 0 58 1,-0.3 44,-0.1 2,-0.1 43,-0.0 -0.162 117.0 -10.6 -48.0 126.0 66.5 -6.5 51.0 10 25 A N T 3 S+ 0 0 45 42,-0.3 -1,-0.3 2,-0.1 43,-0.1 0.678 91.9 124.1 54.6 30.3 67.4 -8.0 47.6 11 26 A T S < S+ 0 0 85 -3,-1.8 -2,-0.1 1,-0.3 -1,-0.1 0.553 77.3 46.6 -90.6 -10.4 68.6 -4.7 46.1 12 27 A V S > S+ 0 0 8 -4,-0.3 3,-1.9 87,-0.1 -1,-0.3 -0.625 74.2 172.6-127.7 67.1 72.1 -6.4 45.4 13 28 A P T 3 S+ 0 0 31 0, 0.0 88,-1.2 0, 0.0 38,-0.4 0.605 70.5 58.3 -55.9 -16.5 70.7 -9.6 43.8 14 29 A Y T 3 S+ 0 0 21 86,-0.2 15,-2.5 88,-0.1 2,-0.2 0.546 79.9 107.2 -92.1 -10.9 74.2 -10.9 42.7 15 30 A Q E < -J 28 0C 6 -3,-1.9 37,-0.4 13,-0.2 36,-0.4 -0.523 48.9-176.5 -71.1 132.6 75.7 -10.9 46.2 16 31 A V E -J 27 0C 0 11,-2.2 11,-1.1 -2,-0.2 2,-0.5 -0.865 20.7-132.5-127.4 162.3 76.2 -14.3 47.7 17 32 A S E -JK 26 49C 1 32,-2.1 32,-2.2 -2,-0.3 2,-0.7 -0.961 11.7-143.2-117.1 130.5 77.4 -15.6 51.0 18 33 A L E -JK 25 48C 0 7,-3.1 6,-2.2 -2,-0.5 7,-1.1 -0.859 27.8-170.6 -94.1 116.9 80.0 -18.4 51.2 19 34 A N E +JK 23 47C 17 28,-3.0 28,-2.8 -2,-0.7 4,-0.2 -0.906 30.8 165.0-117.2 137.0 79.1 -20.5 54.2 20 37 A S S S- 0 0 37 2,-2.0 3,-0.1 -2,-0.4 26,-0.1 -0.400 97.0 -44.5-140.5 53.3 80.9 -23.3 56.0 21 38 A G S S+ 0 0 71 26,-0.1 2,-0.3 0, 0.0 -2,-0.1 0.200 140.2 23.4 99.2 -12.0 78.8 -23.5 59.1 22 39 A Y S S- 0 0 133 -4,-0.0 -2,-2.0 0, 0.0 2,-0.4 -0.948 100.9 -79.6-171.7 160.1 79.0 -19.7 59.2 23 40 A H E +J 19 0C 33 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.595 52.2 154.5 -71.9 126.8 79.5 -16.8 56.8 24 41 A F E + 0 0 32 -6,-2.2 2,-0.3 1,-0.4 151,-0.2 0.610 61.6 9.2-125.5 -25.4 83.2 -16.4 56.1 25 42 A b E -J 18 0C 8 -7,-1.1 -7,-3.1 151,-0.1 -1,-0.4 -0.965 62.2-130.5-152.3 161.8 83.4 -14.7 52.7 26 43 A G E +J 17 0C 1 151,-3.3 12,-0.4 -2,-0.3 2,-0.3 -0.404 23.8 179.2-102.4-174.1 81.2 -13.0 50.1 27 44 A G E -J 16 0C 0 -11,-1.1 -11,-2.2 -2,-0.2 2,-0.4 -0.959 23.6-113.5-173.7 174.4 81.0 -13.6 46.3 28 45 A S E -JL 15 36C 0 8,-2.4 8,-2.7 -2,-0.3 2,-0.6 -0.993 20.1-130.4-130.8 133.2 79.3 -12.5 43.1 29 46 A L E + L 0 35C 0 -15,-2.5 74,-2.6 -2,-0.4 6,-0.2 -0.695 33.9 162.6 -82.1 118.4 76.9 -14.5 40.9 30 47 A I E + 0 0 15 4,-2.1 2,-0.3 -2,-0.6 5,-0.2 0.507 66.8 16.2-112.3 -11.1 78.1 -14.2 37.3 31 48 A N E > S- L 0 34C 58 3,-1.6 3,-1.2 70,-0.1 -1,-0.3 -0.963 89.5 -94.6-154.9 160.4 76.3 -17.1 35.7 32 49 A S T 3 S+ 0 0 39 -2,-0.3 62,-3.1 1,-0.3 60,-0.1 0.795 127.4 19.0 -52.5 -30.1 73.3 -19.4 36.7 33 50 A Q T 3 S+ 0 0 65 60,-0.2 57,-2.9 58,-0.1 2,-0.4 0.186 113.9 77.7-130.3 26.3 75.9 -21.8 38.1 34 51 A W E < -LM 31 89C 5 -3,-1.2 -4,-2.1 55,-0.2 -3,-1.6 -0.996 46.9-179.2-137.7 131.5 79.1 -19.9 38.6 35 52 A V E -LM 29 88C 0 53,-2.3 53,-2.9 -2,-0.4 2,-0.4 -0.948 16.9-143.7-125.3 147.3 80.1 -17.4 41.3 36 53 A V E +LM 28 87C 0 -8,-2.7 -8,-2.4 -2,-0.4 2,-0.2 -0.924 31.3 148.5-112.3 141.5 83.4 -15.5 41.5 37 54 A S E - M 0 86C 0 49,-2.5 49,-2.3 -2,-0.4 2,-0.3 -0.787 49.8 -59.5-150.1-168.9 85.1 -14.8 44.8 38 55 A A > - 0 0 0 -12,-0.4 3,-2.1 47,-0.3 47,-0.3 -0.701 34.2-135.0 -88.9 139.9 88.6 -14.3 46.3 39 56 A A G > S+ 0 0 3 -2,-0.3 3,-1.7 1,-0.3 -1,-0.1 0.829 105.4 63.9 -59.5 -31.3 91.2 -17.2 46.0 40 57 A H G 3 S+ 0 0 64 1,-0.3 -1,-0.3 41,-0.1 44,-0.0 0.522 92.4 64.1 -73.1 -5.0 92.1 -16.6 49.7 41 58 A b G < S+ 0 0 4 -3,-2.1 -1,-0.3 2,-0.1 -2,-0.2 0.297 74.4 138.8 -96.1 4.8 88.6 -17.6 50.6 42 59 A Y < + 0 0 116 -3,-1.7 2,-0.3 -4,-0.1 -3,-0.0 -0.289 18.8 153.2 -56.7 130.0 89.2 -21.1 49.3 43 60 A K - 0 0 65 -2,-0.0 2,-0.3 3,-0.0 3,-0.3 -0.956 43.3-111.5-151.4 155.3 87.7 -23.9 51.5 44 61 A S S S+ 0 0 96 -2,-0.3 25,-0.0 1,-0.2 0, 0.0 -0.724 96.2 24.1 -92.3 144.6 86.5 -27.4 50.8 45 62 A G S S+ 0 0 73 -2,-0.3 2,-0.4 1,-0.2 -1,-0.2 0.982 79.6 178.3 67.4 58.9 82.8 -28.1 51.1 46 63 A I - 0 0 2 -3,-0.3 21,-2.9 21,-0.1 2,-0.6 -0.783 19.6-153.2 -96.6 134.1 81.5 -24.6 50.6 47 64 A Q E -KN 19 66C 54 -28,-2.8 -28,-3.0 -2,-0.4 2,-0.4 -0.948 13.2-147.7-106.1 123.7 77.7 -23.9 50.6 48 65 A V E -KN 18 65C 0 17,-3.0 17,-2.6 -2,-0.6 2,-0.5 -0.758 7.1-154.4 -91.2 138.0 76.8 -20.9 48.6 49 66 A R E -KN 17 64C 51 -32,-2.2 -32,-2.1 -2,-0.4 3,-0.3 -0.971 13.1-173.2-120.1 115.6 73.8 -18.9 49.8 50 67 A L E + N 0 63C 1 13,-3.1 13,-2.1 -2,-0.5 -34,-0.1 -0.664 63.1 27.5-102.7 162.3 71.9 -16.8 47.2 51 69 A G S S+ 0 0 5 -36,-0.4 2,-0.2 -38,-0.4 -1,-0.2 0.767 85.9 156.3 57.5 31.6 69.0 -14.3 47.7 52 70 A E + 0 0 12 -37,-0.4 -42,-0.3 -3,-0.3 -1,-0.2 -0.568 20.2 148.8 -92.9 144.6 70.3 -13.6 51.2 53 71 A D S S+ 0 0 16 -2,-0.2 2,-1.0 4,-0.2 82,-0.5 0.361 77.6 34.5-131.7 -69.7 69.6 -10.4 53.2 54 72 A N S > S- 0 0 25 3,-0.3 3,-1.6 80,-0.2 80,-0.3 -0.816 70.1-167.7 -93.4 101.0 69.6 -11.2 56.9 55 73 A I T 3 S+ 0 0 30 78,-2.0 -1,-0.2 -2,-1.0 79,-0.1 0.642 83.0 54.4 -64.9 -14.6 72.1 -14.0 57.1 56 74 A N T 3 S+ 0 0 109 77,-0.3 2,-0.4 1,-0.2 -1,-0.3 0.438 106.1 53.2 -99.4 -0.3 71.0 -15.0 60.6 57 75 A V S < S- 0 0 76 -3,-1.6 2,-0.5 76,-0.2 -3,-0.3 -0.963 79.3-128.9-140.1 121.4 67.3 -15.4 59.9 58 76 A V + 0 0 111 -2,-0.4 -3,-0.1 1,-0.1 -6,-0.0 -0.526 26.2 178.0 -69.4 115.9 65.7 -17.7 57.2 59 77 A E - 0 0 103 -2,-0.5 2,-0.2 -5,-0.1 -1,-0.1 0.124 44.0-117.5-105.4 16.4 63.3 -15.4 55.3 60 78 A G S S+ 0 0 66 1,-0.1 -2,-0.1 2,-0.0 0, 0.0 0.184 97.4 88.9 71.6 -18.9 62.2 -18.0 52.8 61 79 A N + 0 0 42 -2,-0.2 -1,-0.1 -10,-0.1 -9,-0.1 0.699 68.4 95.4 -83.5 -19.8 63.5 -16.1 49.8 62 80 A E - 0 0 27 -13,-0.0 2,-0.4 1,-0.0 -11,-0.2 -0.197 58.8-146.8 -75.9 161.2 67.0 -17.6 49.8 63 81 A Q E -N 50 0C 34 -13,-2.1 -13,-3.1 2,-0.0 2,-0.5 -0.996 5.5-158.2-128.3 130.3 68.6 -20.6 48.0 64 82 A F E +N 49 0C 80 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.945 19.1 169.3-112.4 119.8 71.4 -22.8 49.4 65 83 A I E -N 48 0C 16 -17,-2.6 -17,-3.0 -2,-0.5 2,-0.1 -0.997 29.5-126.1-134.6 129.1 73.5 -24.7 46.9 66 84 A S E -N 47 0C 59 -2,-0.4 25,-2.8 -19,-0.3 2,-0.4 -0.392 31.7-105.8 -72.6 148.6 76.7 -26.6 47.5 67 85 A A E -O 90 0C 24 -21,-2.9 23,-0.3 23,-0.2 -22,-0.1 -0.623 24.8-166.2 -76.8 128.3 79.8 -25.9 45.6 68 86 A S E S- 0 0 72 21,-3.1 2,-0.3 -2,-0.4 22,-0.2 0.916 71.4 -8.9 -78.5 -48.9 80.6 -28.5 42.9 69 87 A K E -O 89 0C 84 20,-1.2 20,-3.1 -25,-0.0 2,-0.5 -0.997 55.7-146.4-153.8 146.8 84.2 -27.3 42.3 70 88 A S E -O 88 0C 34 -2,-0.3 2,-0.6 18,-0.2 18,-0.2 -0.972 11.8-165.4-116.5 125.8 86.5 -24.4 43.1 71 89 A I E -O 87 0C 35 16,-3.3 16,-2.7 -2,-0.5 2,-0.3 -0.939 6.8-161.0-115.8 106.3 89.0 -23.2 40.6 72 90 A V E -O 86 0C 48 -2,-0.6 14,-0.2 14,-0.2 12,-0.1 -0.635 37.1 -90.9 -83.5 144.8 91.7 -20.9 42.0 73 91 A H > - 0 0 27 12,-2.0 3,-2.1 10,-0.3 -1,-0.1 -0.304 34.2-123.7 -56.2 136.5 93.7 -18.8 39.5 74 92 A P T 3 S+ 0 0 105 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.698 109.3 43.1 -55.9 -23.4 96.8 -20.6 38.3 75 93 A S T 3 S+ 0 0 72 8,-0.1 -2,-0.1 2,-0.0 7,-0.1 0.154 77.6 143.1-110.2 17.8 99.1 -17.8 39.5 76 94 A Y < - 0 0 64 -3,-2.1 2,-0.5 9,-0.1 7,-0.2 -0.382 32.9-162.3 -58.9 130.7 97.5 -17.0 42.8 77 95 A N B >>> -P 82 0D 58 5,-2.2 4,-2.3 1,-0.1 5,-0.8 -0.952 13.9-165.5-122.5 111.4 100.2 -16.1 45.3 78 96 A S T 345S+ 0 0 78 -2,-0.5 -1,-0.1 1,-0.2 -2,-0.0 0.726 87.2 63.0 -64.3 -24.4 99.2 -16.3 49.0 79 97 A N T 345S+ 0 0 140 1,-0.2 -1,-0.2 3,-0.1 -2,-0.0 0.843 124.1 13.6 -71.2 -33.7 102.3 -14.4 50.0 80 98 A T T <45S- 0 0 70 -3,-0.6 -2,-0.2 2,-0.1 -1,-0.2 0.465 94.9-125.0-119.6 -7.4 101.3 -11.2 48.1 81 99 A L T ><5 + 0 0 35 -4,-2.3 3,-0.8 1,-0.2 2,-0.2 0.733 53.6 160.3 64.1 22.9 97.6 -11.9 47.4 82 100 A N B 3 < +P 77 0D 36 -5,-0.8 -5,-2.2 1,-0.3 -1,-0.2 -0.567 65.5 16.1 -74.7 140.6 98.4 -11.3 43.7 83 101 A N T 3 S+ 0 0 17 -2,-0.2 2,-2.1 -7,-0.2 -10,-0.3 0.901 80.9 177.5 61.9 42.9 95.8 -12.8 41.4 84 102 A D < + 0 0 1 -3,-0.8 2,-0.3 75,-0.2 -1,-0.2 -0.498 34.8 111.6 -78.6 75.2 93.4 -13.2 44.4 85 103 A I + 0 0 0 -2,-2.1 -12,-2.0 -47,-0.3 2,-0.3 -0.996 37.3 176.5-149.2 144.9 90.5 -14.6 42.4 86 104 A M E -MO 37 72C 0 -49,-2.3 -49,-2.5 -2,-0.3 2,-0.4 -0.993 20.9-136.1-150.7 149.5 88.6 -17.9 42.1 87 105 A L E -MO 36 71C 0 -16,-2.7 -16,-3.3 -2,-0.3 2,-0.5 -0.890 14.4-161.0-108.4 137.5 85.6 -19.4 40.4 88 106 A I E -MO 35 70C 0 -53,-2.9 -53,-2.3 -2,-0.4 2,-0.5 -0.979 6.9-150.7-121.0 122.0 83.1 -21.6 42.1 89 107 A K E -MO 34 69C 44 -20,-3.1 -21,-3.1 -2,-0.5 -20,-1.2 -0.813 20.7-129.2 -92.2 132.2 80.8 -23.9 40.1 90 108 A L E - 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