==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 17-OCT-03 1V2P . COMPND 2 MOLECULE: TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR D.RAUH,G.KLEBE,M.T.STUBBS . 223 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9342.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 134 60.1 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 . 70 31.4 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 . 16 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 7.2 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 0 1 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 4 1 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 T I 0 0 2 0, 0.0 2,-0.5 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 124.2 52.0 14.3 49.1 2 17 T V B +A 171 0A 8 169,-3.1 169,-1.7 1,-0.2 123,-0.1 -0.900 360.0 4.1-105.8 125.3 54.2 14.3 52.3 3 18 T G S S+ 0 0 45 -2,-0.5 -1,-0.2 121,-0.5 2,-0.1 0.730 102.1 121.9 77.8 22.8 56.0 11.1 53.2 4 19 T G - 0 0 33 -3,-0.4 2,-0.3 167,-0.1 134,-0.2 -0.143 55.1-116.2-100.3-160.9 54.8 9.2 50.1 5 20 T Y E -B 137 0B 98 132,-2.5 132,-3.6 -2,-0.1 2,-0.4 -0.958 35.4 -83.8-140.6 156.9 56.6 7.4 47.3 6 21 T T E -B 136 0B 75 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.456 38.4-151.1 -61.7 114.2 57.0 7.8 43.6 7 22 T a - 0 0 19 128,-1.7 -1,-0.2 -2,-0.4 2,-0.1 0.939 36.3-113.3 -52.0 -55.4 54.0 6.0 42.2 8 23 T G > - 0 0 26 127,-0.5 3,-2.0 -3,-0.1 4,-0.3 -0.104 47.8 -52.9 121.6 138.0 55.6 5.0 38.9 9 24 T A T 3 S- 0 0 54 1,-0.3 44,-0.1 2,-0.1 43,-0.1 -0.097 119.0 -16.1 -44.5 123.8 54.7 6.2 35.4 10 25 T N T 3 S+ 0 0 26 42,-0.3 -1,-0.3 2,-0.1 43,-0.1 0.734 90.0 131.8 50.9 31.5 51.0 5.8 34.7 11 26 T T S < S+ 0 0 83 -3,-2.0 -1,-0.1 1,-0.3 -2,-0.1 0.582 75.1 49.2 -85.1 -9.8 50.4 3.4 37.6 12 27 T V S > S+ 0 0 8 -4,-0.3 3,-2.0 87,-0.1 -1,-0.3 -0.687 73.8 176.0-125.8 71.8 47.4 5.5 38.6 13 28 T P T 3 S+ 0 0 34 0, 0.0 88,-1.0 0, 0.0 38,-0.3 0.648 73.0 57.8 -53.5 -22.4 45.6 5.8 35.2 14 29 T Y T 3 S+ 0 0 23 86,-0.2 15,-2.1 88,-0.1 2,-0.3 0.511 80.8 108.4 -90.3 -5.2 42.6 7.7 36.5 15 30 T Q E < -J 28 0C 6 -3,-2.0 36,-0.5 13,-0.2 37,-0.4 -0.554 48.0-174.7 -75.8 132.0 44.7 10.6 38.0 16 31 T V E -J 27 0C 0 11,-2.2 11,-1.3 -2,-0.3 2,-0.5 -0.881 19.7-137.5-126.0 158.3 44.4 13.9 36.1 17 32 T S E -JK 26 49C 1 32,-2.2 32,-2.5 -2,-0.3 2,-0.6 -0.970 14.3-142.0-115.7 127.9 46.1 17.3 36.4 18 33 T L E -JK 25 48C 0 7,-3.2 6,-2.2 -2,-0.5 7,-0.8 -0.810 25.9-168.6 -89.5 124.2 44.1 20.5 36.1 19 34 T N E +JK 23 47C 21 28,-2.8 28,-2.2 -2,-0.6 4,-0.2 -0.951 30.9 165.3-123.5 132.4 46.1 23.1 34.2 20 37 T S S S- 0 0 30 2,-2.2 3,-0.1 -2,-0.4 26,-0.1 -0.343 97.6 -45.7-133.4 48.2 45.5 26.8 33.7 21 38 T G S S+ 0 0 70 26,-0.1 2,-0.3 1,-0.0 -2,-0.1 0.157 140.6 26.3 105.1 -13.8 49.0 27.6 32.5 22 39 T Y S S- 0 0 134 -4,-0.0 -2,-2.2 0, 0.0 2,-0.3 -0.945 101.1 -81.5-166.9 160.8 50.4 25.5 35.3 23 40 T H E +J 19 0C 39 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.583 50.8 157.1 -73.3 132.1 49.2 22.6 37.5 24 41 T F E + 0 0 27 -6,-2.2 2,-0.3 1,-0.4 151,-0.2 0.528 59.3 6.9-133.4 -11.6 46.9 23.8 40.3 25 42 T b E -J 18 0C 7 -7,-0.8 -7,-3.2 151,-0.1 -1,-0.4 -0.975 63.0-123.3-165.2 159.4 44.8 20.8 41.3 26 43 T G E -J 17 0C 2 151,-2.7 12,-0.4 -2,-0.3 2,-0.3 -0.448 28.2-179.7-100.3 178.4 44.3 17.1 40.8 27 44 T G E -J 16 0C 0 -11,-1.3 -11,-2.2 -2,-0.2 2,-0.4 -0.971 22.3-115.0-166.4 174.8 41.2 15.3 39.6 28 45 T S E -JL 15 36C 1 8,-2.6 8,-2.9 -2,-0.3 2,-0.6 -0.984 17.4-133.9-129.8 135.9 39.7 11.9 38.8 29 46 T L E + L 0 35C 0 -15,-2.1 74,-2.6 -2,-0.4 6,-0.2 -0.752 25.2 172.4 -85.4 119.9 38.4 10.5 35.5 30 47 T I - 0 0 24 4,-2.2 2,-0.3 -2,-0.6 5,-0.2 0.557 68.3 -15.2-104.4 -11.1 35.1 8.8 36.0 31 48 T N S S- 0 0 41 3,-1.2 3,-0.3 70,-0.1 -1,-0.3 -0.949 86.6 -74.7-172.0 178.7 34.3 8.2 32.3 32 49 T S S S+ 0 0 42 -2,-0.3 62,-3.2 1,-0.2 60,-0.1 0.699 128.5 30.2 -63.0 -20.3 35.4 9.3 28.9 33 50 T Q S S+ 0 0 81 60,-0.2 57,-2.9 1,-0.1 2,-0.4 0.531 111.2 67.1-116.9 -9.4 33.8 12.7 29.1 34 51 T W E - M 0 89C 2 -3,-0.3 -4,-2.2 55,-0.2 -3,-1.2 -0.940 46.3-174.2-128.1 145.2 33.8 13.6 32.9 35 52 T V E -LM 29 88C 0 53,-2.6 53,-2.8 -2,-0.4 2,-0.4 -0.944 14.9-147.7-125.5 143.7 36.3 14.4 35.6 36 53 T V E +LM 28 87C 1 -8,-2.9 -8,-2.6 -2,-0.3 2,-0.2 -0.938 31.0 147.3-113.4 137.1 35.5 14.9 39.3 37 54 T S E - M 0 86C 0 49,-2.6 49,-2.3 -2,-0.4 2,-0.3 -0.771 49.4 -63.5-147.3-168.6 37.6 17.3 41.4 38 55 T A > - 0 0 0 -12,-0.4 3,-1.3 47,-0.2 47,-0.3 -0.641 32.8-133.2 -89.7 146.7 37.1 19.7 44.4 39 56 T A G > S+ 0 0 3 -2,-0.3 3,-2.0 1,-0.3 -1,-0.1 0.864 107.2 59.5 -64.5 -36.0 34.8 22.7 44.3 40 57 T H G 3 S+ 0 0 67 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.555 95.1 66.2 -72.7 -1.8 37.5 25.0 45.8 41 58 T b G < S+ 0 0 4 -3,-1.3 -1,-0.3 2,-0.0 -2,-0.2 0.375 75.6 132.0 -93.9 0.7 39.6 24.1 42.8 42 59 T Y < + 0 0 129 -3,-2.0 2,-0.3 -4,-0.0 -3,-0.1 -0.276 21.3 143.8 -59.2 138.0 37.1 25.9 40.5 43 60 T K - 0 0 61 0, 0.0 3,-0.3 0, 0.0 2,-0.3 -0.944 46.3-108.7-165.5 158.2 38.6 28.3 38.0 44 61 T S S S+ 0 0 95 -2,-0.3 0, 0.0 1,-0.2 0, 0.0 -0.705 94.9 39.0 -97.9 152.8 37.7 29.3 34.5 45 62 T G S S+ 0 0 69 -2,-0.3 2,-0.3 1,-0.2 -1,-0.2 0.841 77.3 174.9 80.5 34.8 39.9 28.2 31.5 46 63 T I - 0 0 11 -3,-0.3 21,-2.2 -26,-0.1 2,-0.5 -0.568 17.2-166.5 -78.8 133.2 40.6 24.7 32.8 47 64 T Q E -KN 19 66C 51 -28,-2.2 -28,-2.8 -2,-0.3 2,-0.4 -0.990 16.2-140.6-118.5 124.6 42.6 22.3 30.6 48 65 T V E -KN 18 65C 0 17,-3.4 17,-2.9 -2,-0.5 2,-0.6 -0.718 11.2-158.0 -87.4 130.1 42.5 18.7 31.7 49 66 T R E -KN 17 64C 52 -32,-2.5 -32,-2.2 -2,-0.4 3,-0.3 -0.934 14.0-176.4-114.2 112.4 45.8 16.8 31.4 50 67 T L E + N 0 63C 2 13,-2.9 13,-2.0 -2,-0.6 -34,-0.1 -0.684 59.4 30.8-105.3 158.6 45.4 13.0 31.3 51 69 T G S S+ 0 0 6 -36,-0.5 10,-0.3 -38,-0.3 -1,-0.2 0.699 85.4 154.9 70.0 23.2 48.1 10.3 31.1 52 70 T E + 0 0 12 -37,-0.4 -42,-0.3 -3,-0.3 -1,-0.2 -0.474 23.3 148.0 -88.5 150.8 50.6 12.4 33.1 53 71 T D S S+ 0 0 15 1,-0.3 2,-0.9 4,-0.2 -1,-0.1 0.268 80.4 32.4-135.9 -78.2 53.5 11.4 35.2 54 72 T N S > S- 0 0 28 3,-0.2 3,-1.2 80,-0.2 -1,-0.3 -0.784 73.3-159.8 -86.7 110.6 56.2 14.1 35.0 55 73 T I T 3 S+ 0 0 33 78,-2.5 -1,-0.1 -2,-0.9 79,-0.1 0.457 84.6 53.6 -72.9 2.4 54.1 17.3 34.5 56 74 T N T 3 S+ 0 0 120 77,-0.2 2,-0.4 1,-0.1 -1,-0.2 0.408 102.3 59.1-114.5 0.4 57.0 19.2 33.0 57 75 T V S < S- 0 0 77 -3,-1.2 2,-0.9 76,-0.2 -4,-0.2 -0.991 78.5-127.6-134.6 128.1 58.1 16.8 30.2 58 76 T V + 0 0 119 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.0 -0.619 33.8 172.6 -73.3 108.5 56.1 15.5 27.3 59 77 T E - 0 0 100 -2,-0.9 -1,-0.2 -5,-0.2 -7,-0.0 0.625 49.2-104.2 -95.6 -15.6 56.6 11.8 27.7 60 78 T G S S+ 0 0 58 -9,-0.0 -2,-0.1 0, 0.0 -8,-0.1 0.261 101.7 77.9 116.0 -15.3 54.2 10.6 25.0 61 79 T N + 0 0 61 -10,-0.3 2,-0.1 38,-0.0 -3,-0.0 0.245 66.9 117.4-111.0 13.5 51.1 9.2 26.8 62 80 T E - 0 0 31 -13,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.441 43.1-165.5 -83.2 154.2 49.5 12.6 27.6 63 81 T Q E -N 50 0C 39 -13,-2.0 -13,-2.9 -2,-0.1 2,-0.6 -0.971 7.6-158.9-137.9 117.8 46.1 13.8 26.3 64 82 T F E +N 49 0C 88 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.899 18.5 172.2-103.8 113.8 45.3 17.5 26.8 65 83 T I E -N 48 0C 13 -17,-2.9 -17,-3.4 -2,-0.6 2,-0.1 -0.977 26.7-130.4-128.9 132.6 41.6 18.3 26.7 66 84 T S E -N 47 0C 51 -2,-0.4 25,-2.7 -19,-0.3 2,-0.4 -0.446 27.2-114.8 -75.8 149.3 39.8 21.6 27.4 67 85 T A E -O 90 0C 21 -21,-2.2 23,-0.2 23,-0.2 -22,-0.1 -0.688 23.7-172.1 -84.6 134.7 36.9 21.7 29.7 68 86 T S E S+ 0 0 60 21,-2.8 2,-0.3 -2,-0.4 22,-0.2 0.668 72.1 12.0 -98.3 -21.0 33.6 22.6 28.0 69 87 T K E -O 89 0C 98 20,-1.3 20,-2.8 2,-0.0 2,-0.4 -0.983 58.0-161.5-159.0 143.2 31.6 22.9 31.3 70 88 T S E -O 88 0C 44 -2,-0.3 2,-0.5 18,-0.2 18,-0.2 -0.990 6.2-168.3-128.2 136.2 32.2 23.0 35.0 71 89 T I E -O 87 0C 34 16,-2.9 16,-2.2 -2,-0.4 2,-0.2 -0.905 5.0-161.0-131.2 104.1 29.5 22.3 37.7 72 90 T V E -O 86 0C 48 -2,-0.5 14,-0.2 14,-0.2 12,-0.1 -0.572 43.3 -88.0 -79.2 144.4 30.2 23.2 41.3 73 91 T H > - 0 0 22 12,-2.1 3,-1.9 10,-0.3 -1,-0.1 -0.250 34.2-123.4 -54.8 136.5 28.0 21.4 43.7 74 92 T P T 3 S+ 0 0 97 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.740 109.8 40.6 -53.3 -27.2 24.7 23.3 44.4 75 93 T S T 3 S+ 0 0 73 8,-0.1 7,-0.1 2,-0.0 -2,-0.1 0.183 79.6 143.2-110.6 17.1 25.3 23.4 48.2 76 94 T Y < - 0 0 56 -3,-1.9 2,-0.5 9,-0.1 7,-0.2 -0.337 31.8-163.4 -59.4 134.8 29.1 24.1 48.1 77 95 T N B >> -P 82 0D 64 5,-1.9 4,-2.7 1,-0.1 5,-0.6 -0.936 10.2-165.1-124.7 105.0 30.1 26.4 51.0 78 96 T S T 45S+ 0 0 80 -2,-0.5 -1,-0.1 1,-0.2 -2,-0.0 0.685 85.6 63.2 -64.6 -16.9 33.5 28.0 50.5 79 97 T N T 45S+ 0 0 145 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.914 125.0 11.0 -74.3 -43.6 33.6 29.1 54.2 80 98 T T T 45S- 0 0 74 -3,-0.5 -2,-0.2 2,-0.1 -1,-0.1 0.511 97.5-125.8-110.2 -12.2 33.5 25.6 55.7 81 99 T L T ><5 + 0 0 31 -4,-2.7 3,-0.8 1,-0.2 2,-0.2 0.746 48.8 163.6 70.6 26.1 34.1 23.6 52.5 82 100 T N B 3 < +P 77 0D 38 -5,-0.6 -5,-1.9 1,-0.3 -1,-0.2 -0.571 68.3 16.6 -74.2 137.2 31.0 21.5 53.0 83 101 T N T 3 S+ 0 0 17 -2,-0.2 2,-2.0 -7,-0.2 -1,-0.3 0.916 80.4 177.5 64.2 45.3 30.1 19.7 49.7 84 102 T D < + 0 0 0 -3,-0.8 2,-0.3 75,-0.2 -1,-0.2 -0.508 34.3 113.0 -82.1 74.6 33.5 20.4 48.3 85 103 T I + 0 0 0 -2,-2.0 -12,-2.1 -47,-0.3 2,-0.3 -0.996 37.2 178.5-146.3 148.9 33.0 18.6 45.0 86 104 T M E -MO 37 72C 3 -49,-2.3 -49,-2.6 -2,-0.3 2,-0.4 -0.994 18.1-140.0-151.6 148.1 32.7 19.6 41.3 87 105 T L E -MO 36 71C 0 -16,-2.2 -16,-2.9 -2,-0.3 2,-0.4 -0.890 12.9-163.2-111.5 142.4 32.2 17.9 37.9 88 106 T I E -MO 35 70C 0 -53,-2.8 -53,-2.6 -2,-0.4 2,-0.4 -0.995 6.6-151.7-128.1 127.5 34.1 18.9 34.8 89 107 T K E -MO 34 69C 33 -20,-2.8 -21,-2.8 -2,-0.4 -20,-1.3 -0.847 18.2-129.1-100.7 133.9 32.9 17.9 31.3 90 108 T L E - 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