==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 23-SEP-98 2TIO . COMPND 2 MOLECULE: PROTEIN (BETA-TRYPSIN); . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR Q.HUANG,G.ZHU,Q.TANG . 223 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9154.0 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 . 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 . 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 . 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 1 0, 0.0 2,-0.5 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 129.4 12.1 -5.1 76.9 2 17 A V B +A 171 0A 10 169,-3.1 169,-1.6 1,-0.2 123,-0.1 -0.879 360.0 1.3-100.6 129.3 8.5 -4.9 75.9 3 18 A G S S+ 0 0 48 121,-0.5 -1,-0.2 -2,-0.5 169,-0.1 0.682 102.7 122.3 71.1 19.9 7.4 -7.1 73.1 4 19 A G - 0 0 31 -3,-0.3 2,-0.3 167,-0.1 134,-0.2 -0.015 54.8-116.8 -93.9-156.7 10.7 -8.8 72.7 5 20 A Y E -B 137 0B 98 132,-2.4 132,-3.1 -3,-0.1 2,-0.4 -0.940 33.5 -83.9-142.5 162.5 11.8 -12.4 72.9 6 21 A T E -B 136 0B 74 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.550 36.2-152.4 -68.7 121.3 14.1 -14.6 75.0 7 22 A a - 0 0 20 128,-2.2 -1,-0.2 -2,-0.4 129,-0.1 0.910 37.0-114.4 -62.0 -44.6 17.6 -14.2 73.6 8 23 A G > - 0 0 27 127,-0.5 3,-1.7 -3,-0.1 4,-0.3 -0.085 47.7 -52.6 113.3 142.8 18.8 -17.6 74.7 9 24 A A T 3 S- 0 0 58 1,-0.3 44,-0.1 2,-0.1 43,-0.1 -0.236 118.8 -12.8 -53.3 123.0 21.6 -18.3 77.2 10 25 A N T 3 S+ 0 0 33 42,-0.3 -1,-0.3 2,-0.1 43,-0.1 0.670 91.0 127.4 60.0 23.9 24.8 -16.4 76.5 11 26 A T S < S+ 0 0 82 -3,-1.7 -2,-0.1 1,-0.3 -1,-0.1 0.574 74.3 50.0 -83.0 -11.3 23.8 -15.4 72.9 12 27 A V S > S+ 0 0 7 -4,-0.3 3,-1.6 87,-0.1 -1,-0.3 -0.682 71.6 174.1-125.9 74.6 24.6 -11.8 73.8 13 28 A P T 3 S+ 0 0 31 0, 0.0 88,-1.3 0, 0.0 38,-0.3 0.602 73.0 56.3 -58.1 -20.3 28.1 -12.2 75.3 14 29 A Y T 3 S+ 0 0 23 86,-0.2 15,-2.5 88,-0.1 2,-0.3 0.534 81.4 108.0 -91.5 -8.8 28.8 -8.4 75.6 15 30 A Q E < -J 28 0C 5 -3,-1.6 36,-0.5 13,-0.2 37,-0.4 -0.547 48.7-174.0 -73.9 128.0 25.7 -7.8 77.8 16 31 A V E -J 27 0C 0 11,-2.2 11,-1.0 -2,-0.3 2,-0.5 -0.844 19.2-136.8-120.1 158.9 26.4 -7.0 81.4 17 32 A S E -JK 26 49C 2 32,-2.0 32,-2.7 -2,-0.3 2,-0.7 -0.969 13.2-142.6-115.4 127.6 24.1 -6.6 84.4 18 33 A L E -JK 25 48C 0 7,-3.0 6,-2.4 -2,-0.5 7,-1.0 -0.869 29.5-169.1 -91.8 117.5 24.9 -3.7 86.9 19 34 A N E +JK 23 47C 16 28,-2.8 28,-2.2 -2,-0.7 4,-0.2 -0.907 35.0 163.0-118.4 138.2 24.1 -5.1 90.3 20 37 A S S S- 0 0 35 2,-2.2 3,-0.1 -2,-0.4 26,-0.1 -0.304 96.4 -49.9-139.8 46.0 23.8 -3.5 93.8 21 38 A G S S+ 0 0 71 1,-0.1 2,-0.3 26,-0.1 -2,-0.1 0.406 138.5 32.8 97.1 -1.4 21.9 -6.3 95.5 22 39 A Y S S- 0 0 132 -4,-0.0 -2,-2.2 0, 0.0 2,-0.5 -0.915 101.0 -86.0-172.4 159.3 19.5 -6.3 92.5 23 40 A H E +J 19 0C 30 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.688 50.5 157.0 -78.9 123.2 19.7 -5.6 88.8 24 41 A F E + 0 0 26 -6,-2.4 2,-0.3 -2,-0.5 151,-0.2 0.693 59.0 8.6-119.2 -26.1 19.3 -1.9 88.1 25 42 A b E -J 18 0C 7 -7,-1.0 -7,-3.0 151,-0.1 -1,-0.4 -0.977 62.3-126.7-153.0 158.3 20.9 -1.2 84.7 26 43 A G E -J 17 0C 1 151,-3.2 12,-0.3 -2,-0.3 2,-0.3 -0.355 26.1-179.9 -96.2-176.0 22.5 -2.9 81.7 27 44 A G E -J 16 0C 0 -11,-1.0 -11,-2.2 10,-0.1 2,-0.4 -0.975 22.7-119.5-172.1 172.6 25.9 -2.4 80.1 28 45 A S E -JL 15 36C 1 8,-2.2 8,-2.6 -2,-0.3 2,-0.5 -0.995 18.8-133.6-133.2 131.7 28.2 -3.5 77.3 29 46 A L E + L 0 35C 0 -15,-2.5 74,-2.3 -2,-0.4 6,-0.2 -0.704 25.5 173.2 -82.4 121.8 31.6 -5.0 77.6 30 47 A I E - 0 0 17 4,-2.3 2,-0.3 -2,-0.5 5,-0.2 0.599 68.1 -8.3-104.8 -17.8 34.0 -3.2 75.2 31 48 A N E > S- L 0 34C 48 3,-1.2 3,-0.6 70,-0.1 -1,-0.3 -0.932 89.9 -76.9-161.8 177.3 37.2 -4.9 76.3 32 49 A S T 3 S+ 0 0 47 -2,-0.3 62,-3.2 1,-0.2 60,-0.1 0.693 128.0 28.1 -60.6 -16.9 38.4 -7.2 79.2 33 50 A Q T 3 S+ 0 0 59 60,-0.2 57,-2.7 1,-0.1 2,-0.4 0.416 109.2 68.9-125.0 2.1 38.5 -4.3 81.7 34 51 A W E < -LM 31 89C 11 -3,-0.6 -4,-2.3 55,-0.2 -3,-1.2 -0.979 47.6-171.0-133.5 141.1 35.9 -1.7 80.6 35 52 A V E -LM 29 88C 0 53,-2.5 53,-2.9 -2,-0.4 2,-0.5 -0.882 14.6-144.8-121.9 148.0 32.1 -1.5 80.4 36 53 A V E +LM 28 87C 0 -8,-2.6 -8,-2.2 -2,-0.3 2,-0.2 -0.968 33.5 146.2-115.5 132.4 30.0 1.2 78.8 37 54 A S E - M 0 86C 0 49,-2.8 49,-2.2 -2,-0.5 2,-0.3 -0.712 49.0 -67.1-144.4-166.1 26.7 2.2 80.3 38 55 A A > - 0 0 0 -12,-0.3 3,-1.6 47,-0.3 47,-0.3 -0.742 31.1-132.6 -96.2 145.3 24.5 5.2 80.8 39 56 A A G > S+ 0 0 3 -2,-0.3 3,-1.7 1,-0.3 -1,-0.1 0.832 106.7 62.6 -63.8 -31.6 25.5 8.2 83.0 40 57 A H G 3 S+ 0 0 71 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.512 94.0 64.3 -73.7 -2.3 22.0 8.1 84.7 41 58 A b G < S+ 0 0 4 -3,-1.6 -1,-0.3 2,-0.0 -2,-0.2 0.464 74.6 132.1 -95.2 -6.1 22.8 4.6 86.0 42 59 A Y < + 0 0 128 -3,-1.7 2,-0.3 -4,-0.2 -3,-0.0 -0.187 22.0 143.4 -52.2 137.3 25.7 5.9 88.1 43 60 A K - 0 0 58 0, 0.0 3,-0.3 0, 0.0 2,-0.2 -0.948 47.5-106.8-169.8 149.7 25.7 4.7 91.7 44 61 A S S S+ 0 0 95 -2,-0.3 0, 0.0 1,-0.2 0, 0.0 -0.534 95.5 37.4 -84.6 157.1 28.4 3.7 94.2 45 62 A G S S+ 0 0 69 1,-0.2 2,-0.4 -2,-0.2 -1,-0.2 0.920 76.7 171.9 71.7 45.5 29.0 0.1 95.1 46 63 A I - 0 0 7 -3,-0.3 21,-2.7 21,-0.1 2,-0.5 -0.711 19.1-164.7 -92.2 134.9 28.5 -1.4 91.6 47 64 A Q E -KN 19 66C 54 -28,-2.2 -28,-2.8 -2,-0.4 2,-0.6 -0.987 15.0-141.6-117.6 126.8 29.2 -5.0 90.9 48 65 A V E -KN 18 65C 0 17,-3.4 17,-2.8 -2,-0.5 2,-0.6 -0.818 12.1-159.1 -91.7 122.6 29.4 -6.0 87.2 49 66 A R E -KN 17 64C 45 -32,-2.7 -32,-2.0 -2,-0.6 3,-0.3 -0.922 11.9-172.3-108.4 114.4 27.9 -9.4 86.4 50 67 A L E + N 0 63C 0 13,-3.1 13,-1.8 -2,-0.6 -34,-0.1 -0.689 61.1 28.1-101.7 158.7 29.1 -11.0 83.2 51 69 A G S S+ 0 0 6 -36,-0.5 2,-0.2 -38,-0.3 -1,-0.2 0.724 83.5 158.9 64.6 27.3 27.9 -14.1 81.4 52 70 A E + 0 0 10 -37,-0.4 -42,-0.3 -3,-0.3 -1,-0.2 -0.545 22.7 148.8 -88.6 144.6 24.4 -13.8 82.8 53 71 A D S S+ 0 0 16 1,-0.4 2,-0.8 4,-0.2 82,-0.2 0.375 81.5 33.1-126.9 -79.6 21.2 -15.3 81.5 54 72 A N S > S- 0 0 25 80,-0.2 3,-0.7 1,-0.2 -1,-0.4 -0.739 72.0-164.9 -83.0 111.8 19.0 -16.0 84.6 55 73 A I T 3 S+ 0 0 29 78,-2.6 -1,-0.2 -2,-0.8 79,-0.1 0.527 84.5 53.5 -75.3 -7.2 20.0 -13.1 86.9 56 74 A N T 3 S+ 0 0 113 77,-0.2 2,-0.3 1,-0.1 -1,-0.2 0.446 106.4 54.1-105.8 -3.2 18.4 -14.8 89.9 57 75 A V S < S- 0 0 75 -3,-0.7 2,-0.8 76,-0.2 -4,-0.2 -0.970 75.8-128.7-133.5 144.5 20.2 -18.2 89.6 58 76 A V + 0 0 114 -2,-0.3 3,-0.1 1,-0.2 -3,-0.1 -0.869 39.2 160.0 -91.1 110.4 23.8 -19.2 89.5 59 77 A E - 0 0 108 -2,-0.8 -1,-0.2 1,-0.3 2,-0.1 0.518 55.8 -91.3-108.9 -11.2 23.9 -21.5 86.4 60 78 A G S S+ 0 0 34 -9,-0.0 -1,-0.3 0, 0.0 3,-0.1 -0.276 101.6 69.0 110.5 156.0 27.6 -21.3 85.5 61 79 A N S S+ 0 0 76 1,-0.3 2,-0.1 -2,-0.1 -9,-0.1 0.255 70.2 130.5 83.8 -9.9 29.5 -19.0 83.2 62 80 A E - 0 0 32 -13,-0.0 2,-0.4 2,-0.0 -1,-0.3 -0.444 37.3-169.3 -76.5 149.0 28.9 -16.0 85.5 63 81 A Q E -N 50 0C 37 -13,-1.8 -13,-3.1 -2,-0.1 2,-0.6 -0.984 5.6-160.6-138.5 118.4 31.8 -13.7 86.5 64 82 A F E +N 49 0C 81 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.941 18.1 171.5-103.5 120.6 31.1 -11.1 89.2 65 83 A I E -N 48 0C 12 -17,-2.8 -17,-3.4 -2,-0.6 2,-0.1 -0.998 29.7-122.4-134.1 132.0 33.6 -8.3 89.2 66 84 A S E -N 47 0C 58 -2,-0.4 25,-2.8 -19,-0.3 2,-0.4 -0.445 30.5-109.1 -73.4 143.8 33.5 -5.1 91.3 67 85 A A E -O 90 0C 26 -21,-2.7 23,-0.2 23,-0.2 3,-0.1 -0.589 28.2-169.4 -72.4 124.6 33.5 -1.7 89.6 68 86 A S E S- 0 0 69 21,-3.4 2,-0.3 -2,-0.4 22,-0.2 0.736 70.9 -3.7 -85.4 -27.9 36.9 -0.2 90.2 69 87 A K E -O 89 0C 83 20,-1.4 20,-3.1 2,-0.0 2,-0.5 -0.943 57.6-152.0-166.0 139.6 36.0 3.2 88.9 70 88 A S E -O 88 0C 33 -2,-0.3 2,-0.7 18,-0.2 18,-0.2 -0.988 11.3-164.3-121.6 120.9 32.9 4.8 87.2 71 89 A I E -O 87 0C 31 16,-3.5 16,-2.5 -2,-0.5 2,-0.3 -0.893 3.7-164.3-110.6 100.9 33.5 7.7 84.9 72 90 A V E -O 86 0C 44 -2,-0.7 14,-0.2 14,-0.2 12,-0.1 -0.631 39.9 -94.5 -79.5 141.4 30.4 9.8 84.1 73 91 A H > - 0 0 25 12,-2.1 3,-2.4 10,-0.3 -1,-0.1 -0.423 32.0-130.8 -58.9 126.2 30.8 12.1 81.1 74 92 A P T 3 S+ 0 0 110 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.716 105.7 49.5 -50.1 -28.3 31.8 15.5 82.5 75 93 A S T 3 S+ 0 0 74 8,-0.1 2,-0.1 2,-0.1 -2,-0.1 0.217 77.9 136.9 -99.4 12.7 29.1 17.2 80.4 76 94 A Y < - 0 0 58 -3,-2.4 2,-0.5 7,-0.1 7,-0.2 -0.391 39.1-158.2 -61.8 133.1 26.2 14.9 81.4 77 95 A N > - 0 0 67 5,-1.9 4,-2.9 1,-0.1 5,-0.5 -0.957 8.1-159.4-119.8 111.7 23.1 16.9 82.1 78 96 A S T 4 S+ 0 0 79 -2,-0.5 -1,-0.1 1,-0.2 -2,-0.0 0.679 89.9 52.1 -62.9 -21.9 20.6 15.1 84.3 79 97 A N T 4 S+ 0 0 145 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.867 124.3 23.7 -83.6 -38.4 17.6 17.2 83.2 80 98 A T T 4 S- 0 0 68 -3,-0.2 -2,-0.2 2,-0.1 77,-0.1 0.626 93.6-134.0-100.6 -17.5 18.1 16.8 79.5 81 99 A L >< + 0 0 37 -4,-2.9 3,-1.0 1,-0.3 2,-0.2 0.623 48.4 157.7 69.6 14.8 20.0 13.5 79.5 82 100 A N T 3 + 0 0 35 -5,-0.5 -5,-1.9 1,-0.3 -1,-0.3 -0.523 67.3 17.5 -69.9 137.0 22.4 14.9 77.0 83 101 A N T 3 S+ 0 0 19 -7,-0.2 2,-2.1 1,-0.2 -10,-0.3 0.863 79.0 173.4 67.0 39.6 25.7 13.0 77.1 84 102 A D < + 0 0 0 -3,-1.0 2,-0.3 75,-0.2 -1,-0.2 -0.514 33.1 117.3 -79.9 76.2 24.1 10.1 79.0 85 103 A I - 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