==== 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 1V2J . 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) . 9354.0 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 . 71 31.8 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 . 17 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 8.5 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 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 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 T I 0 0 3 0, 0.0 2,-0.5 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 121.4 -3.7 10.2 11.0 2 17 T V B +A 171 0A 8 169,-3.5 169,-1.8 1,-0.2 123,-0.1 -0.871 360.0 3.7-103.5 130.9 -7.3 11.5 11.2 3 18 T G S S+ 0 0 48 121,-0.6 -1,-0.2 -2,-0.5 169,-0.1 0.679 102.4 122.8 74.0 17.9 -8.3 14.4 9.0 4 19 T G - 0 0 33 -3,-0.3 2,-0.3 167,-0.1 134,-0.2 -0.062 54.4-117.1 -95.3-161.3 -5.0 14.6 7.3 5 20 T Y E -B 137 0B 93 132,-2.8 132,-3.8 -3,-0.1 2,-0.4 -0.899 33.6 -84.4-137.2 165.7 -3.9 14.4 3.7 6 21 T T E -B 136 0B 74 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.593 35.8-152.3 -72.2 124.8 -1.7 12.2 1.4 7 22 T a - 0 0 17 128,-2.0 -1,-0.2 -2,-0.4 129,-0.1 0.886 35.3-114.6 -66.0 -43.6 1.9 13.4 1.8 8 23 T G > - 0 0 25 127,-0.5 3,-2.1 -3,-0.1 4,-0.3 0.065 48.3 -52.5 110.4 136.6 3.1 12.4 -1.6 9 24 T A T 3 S- 0 0 60 1,-0.3 44,-0.1 2,-0.1 43,-0.0 -0.120 119.8 -14.7 -45.6 119.7 5.8 9.7 -2.3 10 25 T N T 3 S+ 0 0 33 42,-0.4 -1,-0.3 2,-0.1 43,-0.1 0.724 89.9 130.6 57.4 28.4 8.9 10.3 -0.3 11 26 T T S < S+ 0 0 83 -3,-2.1 -2,-0.1 1,-0.3 -1,-0.1 0.600 76.0 49.0 -83.3 -11.1 8.0 13.9 0.7 12 27 T V S > S+ 0 0 7 -4,-0.3 3,-2.2 87,-0.1 -1,-0.3 -0.652 74.2 175.4-125.9 71.0 8.9 13.0 4.3 13 28 T P T 3 S+ 0 0 30 0, 0.0 88,-1.0 0, 0.0 38,-0.4 0.605 74.6 54.9 -52.4 -21.9 12.3 11.3 3.7 14 29 T Y T 3 S+ 0 0 23 86,-0.2 15,-2.1 88,-0.1 2,-0.3 0.470 79.8 115.2 -95.1 -3.6 13.0 10.7 7.4 15 30 T Q E < -J 28 0C 6 -3,-2.2 36,-0.4 13,-0.2 37,-0.4 -0.507 47.1-169.0 -71.2 131.3 9.8 8.8 8.1 16 31 T V E -J 27 0C 0 11,-2.2 11,-1.2 -2,-0.3 2,-0.5 -0.894 15.2-147.0-122.0 149.4 10.4 5.2 9.1 17 32 T S E -JK 26 49C 1 32,-2.0 32,-2.6 -2,-0.3 2,-0.6 -0.979 12.6-144.0-116.9 126.8 8.0 2.3 9.4 18 33 T L E -JK 25 48C 0 7,-2.9 6,-2.2 -2,-0.5 7,-1.0 -0.817 24.7-166.4 -90.6 124.9 8.7 -0.3 12.1 19 34 T N E +JK 23 47C 18 28,-2.7 28,-2.4 -2,-0.6 4,-0.2 -0.940 32.2 164.5-123.3 134.3 7.8 -3.8 10.8 20 37 T S S S- 0 0 33 2,-2.3 3,-0.1 -2,-0.4 26,-0.1 -0.317 96.4 -48.3-134.6 46.2 7.3 -7.1 12.5 21 38 T G S S+ 0 0 73 26,-0.1 2,-0.3 1,-0.1 -2,-0.1 0.372 139.2 28.2 98.9 -1.6 5.4 -8.9 9.7 22 39 T Y S S- 0 0 136 -4,-0.0 -2,-2.3 0, 0.0 2,-0.3 -0.916 101.9 -80.6-176.7 159.1 3.2 -5.8 9.5 23 40 T H E +J 19 0C 35 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.590 51.0 156.1 -73.6 128.7 3.4 -2.1 10.2 24 41 T F E + 0 0 32 -6,-2.2 2,-0.3 1,-0.4 151,-0.2 0.555 59.1 4.8-129.2 -16.9 3.0 -1.4 13.9 25 42 T b E -J 18 0C 7 -7,-1.0 -7,-2.9 151,-0.1 -1,-0.4 -0.986 60.9-122.5-161.8 165.3 4.7 1.9 14.6 26 43 T G E +J 17 0C 2 151,-3.4 12,-0.4 -2,-0.3 2,-0.3 -0.500 26.5 177.9-105.5 178.5 6.5 4.9 13.0 27 44 T G E -J 16 0C 0 -11,-1.2 -11,-2.2 -2,-0.2 2,-0.4 -0.963 23.7-115.8-167.6 174.5 10.0 6.3 13.7 28 45 T S E -JL 15 36C 1 8,-2.5 8,-2.7 -2,-0.3 2,-0.6 -0.992 17.9-133.8-131.1 130.5 12.4 9.0 12.6 29 46 T L E + L 0 35C 0 -15,-2.1 74,-2.3 -2,-0.4 6,-0.2 -0.704 26.8 171.6 -80.5 119.1 15.8 8.6 11.0 30 47 T I E - 0 0 19 4,-2.3 2,-0.3 -2,-0.6 -1,-0.2 0.576 67.4 -9.7-104.1 -13.8 18.3 10.9 12.8 31 48 T N E > S- L 0 34C 48 3,-1.2 3,-0.9 70,-0.1 -1,-0.3 -0.950 89.7 -74.0-166.6 176.4 21.4 9.6 11.1 32 49 T S T 3 S+ 0 0 43 -2,-0.3 62,-3.4 1,-0.2 60,-0.1 0.715 128.4 24.0 -55.7 -23.6 22.6 6.8 8.8 33 50 T Q T 3 S+ 0 0 61 60,-0.2 57,-2.6 1,-0.1 2,-0.4 0.342 110.4 72.0-126.6 7.6 22.4 4.2 11.6 34 51 T W E < -LM 31 89C 10 -3,-0.9 -4,-2.3 55,-0.2 -3,-1.2 -0.986 46.4-173.6-135.1 139.2 19.9 5.4 14.2 35 52 T V E -LM 29 88C 0 53,-2.4 53,-2.8 -2,-0.4 2,-0.4 -0.929 14.6-146.5-123.1 145.2 16.2 5.8 14.4 36 53 T V E +LM 28 87C 3 -8,-2.7 -8,-2.5 -2,-0.4 2,-0.2 -0.933 32.8 144.4-113.1 138.6 14.2 7.4 17.2 37 54 T S E - M 0 86C 0 49,-2.6 49,-2.5 -2,-0.4 2,-0.3 -0.772 50.2 -61.3-150.6-165.6 10.7 6.1 18.1 38 55 T A > - 0 0 0 -12,-0.4 3,-1.8 47,-0.3 47,-0.3 -0.717 32.3-134.9 -94.6 140.6 8.5 5.6 21.1 39 56 T A G > S+ 0 0 1 -2,-0.3 3,-2.2 1,-0.3 -1,-0.1 0.872 105.5 62.2 -60.1 -35.4 9.4 3.3 24.0 40 57 T H G 3 S+ 0 0 69 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.544 93.8 65.3 -71.2 -0.1 5.9 1.8 24.0 41 58 T b G < S+ 0 0 5 -3,-1.8 -1,-0.3 -15,-0.0 -2,-0.2 0.379 76.1 134.4 -95.3 0.2 6.6 0.6 20.5 42 59 T Y < + 0 0 127 -3,-2.2 2,-0.3 -4,-0.1 -3,-0.0 -0.215 20.9 146.4 -55.8 139.1 9.4 -1.7 21.8 43 60 T K - 0 0 57 3,-0.0 3,-0.2 0, 0.0 2,-0.2 -0.955 45.9-109.2-167.0 152.9 9.4 -5.2 20.5 44 61 T S S S+ 0 0 93 -2,-0.3 25,-0.0 1,-0.2 0, 0.0 -0.557 95.8 32.5 -87.0 157.9 12.1 -7.8 19.7 45 62 T G S S+ 0 0 70 -2,-0.2 2,-0.4 1,-0.2 -1,-0.2 0.976 77.4 173.3 62.5 58.5 12.8 -8.7 16.0 46 63 T I - 0 0 8 -3,-0.2 21,-2.5 21,-0.2 2,-0.5 -0.827 20.1-159.8-101.6 136.6 12.1 -5.3 14.4 47 64 T Q E -KN 19 66C 54 -28,-2.4 -28,-2.7 -2,-0.4 2,-0.4 -0.975 14.7-142.5-113.6 123.5 12.8 -4.6 10.8 48 65 T V E -KN 18 65C 0 17,-3.3 17,-2.8 -2,-0.5 2,-0.6 -0.732 10.8-158.6 -88.8 131.2 13.2 -0.9 9.9 49 66 T R E -KN 17 64C 49 -32,-2.6 -32,-2.0 -2,-0.4 3,-0.3 -0.927 11.8-176.2-117.2 111.9 11.7 0.2 6.6 50 67 T L E + N 0 63C 1 13,-2.5 13,-1.7 -2,-0.6 -34,-0.1 -0.589 61.9 29.5 -99.3 162.0 13.0 3.4 5.0 51 69 T G S S+ 0 0 6 -36,-0.4 2,-0.2 -38,-0.4 -1,-0.2 0.760 84.3 155.5 60.8 29.1 11.9 5.2 1.9 52 70 T E + 0 0 10 -37,-0.4 -42,-0.4 -3,-0.3 -1,-0.2 -0.543 21.0 148.3 -89.4 150.3 8.3 3.9 2.1 53 71 T D S S+ 0 0 18 4,-0.2 2,-1.1 -2,-0.2 -1,-0.1 0.261 80.4 33.5-135.4 -77.5 5.1 5.4 0.7 54 72 T N S > S- 0 0 27 80,-0.2 3,-1.3 3,-0.2 80,-0.3 -0.742 73.8-164.7 -84.3 101.5 2.7 2.5 -0.1 55 73 T I T 3 S+ 0 0 26 78,-2.4 -1,-0.2 -2,-1.1 79,-0.1 0.538 80.7 56.8 -68.1 -4.4 3.7 0.1 2.7 56 74 T N T 3 S+ 0 0 109 77,-0.2 2,-0.4 1,-0.1 -1,-0.2 0.522 104.9 49.7-103.0 -6.2 1.9 -2.9 1.0 57 75 T V S < S- 0 0 80 -3,-1.3 2,-0.7 76,-0.2 -4,-0.2 -0.998 79.5-122.9-136.3 136.1 3.7 -2.8 -2.3 58 76 T V + 0 0 114 -2,-0.4 -3,-0.1 1,-0.2 3,-0.1 -0.665 39.4 163.9 -77.0 113.0 7.4 -2.7 -3.2 59 77 T E - 0 0 107 -2,-0.7 -1,-0.2 1,-0.2 2,-0.1 0.545 52.5 -93.4-107.0 -12.9 7.6 0.4 -5.4 60 78 T G S S+ 0 0 34 -9,-0.0 -1,-0.2 0, 0.0 3,-0.1 -0.099 101.2 67.0 108.2 149.3 11.4 1.1 -5.4 61 79 T N S S+ 0 0 78 1,-0.3 2,-0.2 -2,-0.1 -9,-0.0 0.272 71.2 129.9 88.3 -9.8 13.4 3.3 -3.1 62 80 T E - 0 0 31 -13,-0.0 2,-0.4 2,-0.0 -1,-0.3 -0.488 39.4-165.9 -78.3 148.4 12.7 1.1 -0.1 63 81 T Q E -N 50 0C 38 -13,-1.7 -13,-2.5 -2,-0.2 2,-0.6 -0.976 4.5-159.6-134.2 116.1 15.5 -0.1 2.2 64 82 T F E +N 49 0C 88 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.891 19.1 170.1 -99.8 121.4 14.8 -2.9 4.6 65 83 T I E -N 48 0C 20 -17,-2.8 -17,-3.3 -2,-0.6 2,-0.1 -0.994 28.0-129.8-136.0 127.5 17.2 -3.0 7.5 66 84 T S E -N 47 0C 54 -2,-0.4 25,-2.7 -19,-0.3 2,-0.4 -0.370 28.1-110.7 -72.7 153.0 17.0 -5.1 10.7 67 85 T A E -O 90 0C 21 -21,-2.5 23,-0.2 23,-0.2 -21,-0.2 -0.703 21.9-166.3 -83.3 132.0 17.4 -3.5 14.1 68 86 T S E S- 0 0 52 21,-3.1 2,-0.3 -2,-0.4 22,-0.2 0.736 74.6 -4.4 -89.4 -25.4 20.7 -4.6 15.7 69 87 T K E -O 89 0C 83 20,-1.3 20,-2.7 -23,-0.0 2,-0.5 -0.947 57.1-147.0-166.8 144.7 19.5 -3.2 19.1 70 88 T S E -O 88 0C 34 -2,-0.3 2,-0.7 18,-0.2 18,-0.2 -0.972 12.5-161.2-118.7 123.5 16.7 -1.2 20.7 71 89 T I E -O 87 0C 29 16,-3.9 16,-2.3 -2,-0.5 2,-0.2 -0.837 5.9-166.1-110.6 97.8 17.4 1.1 23.6 72 90 T V E -O 86 0C 44 -2,-0.7 14,-0.2 14,-0.2 12,-0.1 -0.533 38.9 -93.7 -77.3 144.2 14.3 2.1 25.6 73 91 T H > - 0 0 25 12,-1.9 3,-2.3 10,-0.3 -1,-0.1 -0.400 30.5-132.3 -61.1 128.9 14.8 5.0 28.0 74 92 T P T 3 S+ 0 0 111 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.765 105.9 47.7 -52.9 -30.2 15.8 3.6 31.5 75 93 T S T 3 S+ 0 0 74 8,-0.1 2,-0.1 2,-0.1 -2,-0.1 0.231 80.0 135.2 -98.9 14.2 13.1 5.8 33.2 76 94 T Y < - 0 0 58 -3,-2.3 2,-0.5 9,-0.1 7,-0.2 -0.406 39.8-159.0 -63.5 133.1 10.3 4.9 30.8 77 95 T N B >> -P 82 0D 66 5,-1.9 4,-2.3 -2,-0.1 5,-0.5 -0.971 9.2-159.2-119.3 117.6 7.1 4.2 32.7 78 96 T S T 45S+ 0 0 80 -2,-0.5 -1,-0.1 1,-0.2 -2,-0.0 0.633 89.4 54.5 -70.4 -15.4 4.5 2.1 30.9 79 97 T N T 45S+ 0 0 137 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.876 124.0 21.9 -85.7 -40.6 1.6 3.2 33.0 80 98 T T T 45S- 0 0 70 2,-0.1 -2,-0.2 -3,-0.1 3,-0.1 0.624 94.6-133.4 -99.9 -17.0 2.1 7.0 32.6 81 99 T L T ><5 + 0 0 31 -4,-2.3 3,-0.8 1,-0.3 -3,-0.2 0.705 48.1 160.2 68.0 21.1 4.1 6.8 29.3 82 100 T N B 3 < +P 77 0D 34 -5,-0.5 -5,-1.9 1,-0.3 -1,-0.3 -0.513 65.6 17.5 -71.7 143.0 6.5 9.3 30.8 83 101 T N T 3 S+ 0 0 18 1,-0.2 2,-1.9 -7,-0.2 -10,-0.3 0.924 80.3 176.6 59.2 45.3 9.8 9.2 29.0 84 102 T D < + 0 0 0 -3,-0.8 2,-0.3 75,-0.2 -1,-0.2 -0.561 32.2 118.1 -83.1 78.5 8.2 7.5 26.0 85 103 T I - 0 0 0 -2,-1.9 -12,-1.9 -47,-0.3 2,-0.3 -0.998 36.5-178.8-147.5 141.6 11.3 7.4 23.8 86 104 T M E -MO 37 72C 0 -49,-2.5 -49,-2.6 -2,-0.3 2,-0.4 -0.996 16.7-143.8-143.1 144.6 13.5 4.7 22.3 87 105 T L E -MO 36 71C 0 -16,-2.3 -16,-3.9 -2,-0.3 2,-0.5 -0.912 13.2-162.6-109.8 135.5 16.6 4.5 20.1 88 106 T I E -MO 35 70C 0 -53,-2.8 -53,-2.4 -2,-0.4 2,-0.5 -0.976 5.3-153.6-121.3 122.2 17.0 1.9 17.5 89 107 T K E -MO 34 69C 49 -20,-2.7 -21,-3.1 -2,-0.5 -20,-1.3 -0.820 19.1-130.3 -95.5 130.3 20.4 1.1 16.0 90 108 T L E - O 0 67C 0 -57,-2.6 -23,-0.2 -2,-0.5 -24,-0.1 -0.556 9.8-130.8 -81.1 141.8 20.4 -0.3 12.5 91 109 T K S S+ 0 0 126 -25,-2.7 2,-0.3 -2,-0.2 -1,-0.1 0.858 96.9 17.2 -56.4 -36.5 22.4 -3.5 11.7 92 110 T S S S- 0 0 75 -26,-0.3 -1,-0.1 -60,-0.1 2,-0.1 -0.960 95.4 -95.6-135.7 152.8 23.8 -1.6 8.7 93 111 T A - 0 0 56 -2,-0.3 -60,-0.2 1,-0.1 2,-0.1 -0.426 42.4-119.9 -68.7 140.7 24.0 2.1 7.8 94 112 T A - 0 0 8 -62,-3.4 2,-0.9 -63,-0.1 -1,-0.1 -0.464 23.9-112.4 -78.2 153.2 21.2 3.2 5.5 95 113 T S - 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