==== 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 1V2T . 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) . 9374.0 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 . 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 . 13 5.8 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 . 14 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 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 2 0 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 T I 0 0 2 0, 0.0 2,-0.5 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 123.0 -8.3 7.7 19.7 2 17 T V B -A 171 0A 9 169,-3.4 169,-1.8 1,-0.2 123,-0.1 -0.845 360.0 -1.6-100.5 131.6 -10.4 8.3 16.6 3 18 T G S S+ 0 0 47 121,-0.5 -1,-0.2 -2,-0.5 2,-0.1 0.767 101.5 122.0 65.4 29.7 -12.3 5.4 15.1 4 19 T G - 0 0 34 -3,-0.4 2,-0.3 167,-0.1 134,-0.2 -0.121 56.3-108.3-103.6-156.6 -11.1 2.8 17.6 5 20 T Y E -B 137 0B 101 132,-2.7 132,-4.0 -3,-0.1 2,-0.5 -0.938 34.2 -90.5-137.1 157.7 -12.8 0.5 20.0 6 21 T T E -B 136 0B 74 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.572 35.4-151.5 -69.2 120.3 -13.2 0.2 23.8 7 22 T a - 0 0 18 128,-1.9 -1,-0.2 -2,-0.5 129,-0.1 0.895 34.8-115.2 -60.3 -47.2 -10.3 -2.0 25.0 8 23 T G > - 0 0 25 127,-0.5 3,-2.0 -3,-0.1 4,-0.3 0.037 47.7 -48.7 112.9 136.9 -12.0 -3.5 28.1 9 24 T A T 3 S- 0 0 59 1,-0.3 44,-0.1 2,-0.1 43,-0.1 -0.058 118.9 -17.7 -42.7 118.7 -11.1 -3.0 31.7 10 25 T N T 3 S+ 0 0 26 42,-0.3 -1,-0.3 2,-0.1 43,-0.1 0.716 90.1 130.9 54.3 30.6 -7.3 -3.5 32.4 11 26 T T S < S+ 0 0 82 -3,-2.0 -2,-0.1 1,-0.3 -1,-0.1 0.550 74.5 49.9 -85.3 -8.5 -6.7 -5.4 29.1 12 27 T V S > S+ 0 0 7 -4,-0.3 3,-1.9 87,-0.1 -1,-0.3 -0.651 73.7 175.6-128.1 70.6 -3.7 -3.0 28.5 13 28 T P T 3 S+ 0 0 35 0, 0.0 88,-1.4 0, 0.0 38,-0.3 0.550 72.8 56.5 -54.7 -16.7 -1.9 -3.4 31.9 14 29 T Y T 3 S+ 0 0 24 86,-0.2 15,-2.0 88,-0.1 2,-0.3 0.485 80.8 109.4 -97.0 -5.3 1.1 -1.2 31.0 15 30 T Q E < -J 28 0C 6 -3,-1.9 36,-0.4 13,-0.2 37,-0.4 -0.548 48.9-173.2 -73.9 131.4 -0.9 1.8 30.0 16 31 T V E -J 27 0C 1 11,-2.2 11,-0.9 -2,-0.3 2,-0.4 -0.848 19.0-136.7-124.3 161.8 -0.6 4.7 32.5 17 32 T S E -JK 26 49C 1 32,-1.8 32,-2.5 -2,-0.3 2,-0.6 -0.972 13.0-143.4-118.1 130.7 -2.3 8.1 32.9 18 33 T L E -JK 25 48C 0 7,-3.1 6,-2.2 -2,-0.4 7,-0.9 -0.857 24.8-168.7 -95.1 122.8 -0.4 11.2 33.7 19 34 T N E +JK 23 47C 21 28,-2.8 28,-2.5 -2,-0.6 4,-0.2 -0.938 30.7 162.8-121.0 131.7 -2.4 13.5 36.0 20 37 T S S S- 0 0 32 2,-2.0 3,-0.1 -2,-0.4 26,-0.1 -0.346 98.4 -44.4-135.8 48.5 -1.8 17.1 37.2 21 38 T G S S+ 0 0 69 26,-0.1 2,-0.3 0, 0.0 -2,-0.1 0.208 139.6 20.9 104.9 -11.6 -5.3 17.7 38.5 22 39 T Y S S- 0 0 137 -4,-0.0 -2,-2.0 0, 0.0 2,-0.2 -0.928 101.9 -74.8-174.2 159.9 -6.7 16.0 35.3 23 40 T H E +J 19 0C 35 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.491 52.3 155.5 -67.4 129.9 -5.5 13.6 32.6 24 41 T F E + 0 0 29 -6,-2.2 2,-0.3 1,-0.4 151,-0.2 0.533 60.5 4.0-132.1 -14.8 -3.2 15.3 30.2 25 42 T b E -J 18 0C 6 -7,-0.9 -7,-3.1 151,-0.1 -1,-0.4 -0.985 60.9-125.8-164.3 162.1 -1.0 12.5 28.6 26 43 T G E +J 17 0C 1 151,-3.2 12,-0.4 -2,-0.3 2,-0.3 -0.377 26.2 174.8-102.4-173.1 -0.5 8.8 28.6 27 44 T G E -J 16 0C 0 -11,-0.9 -11,-2.2 -2,-0.1 2,-0.4 -0.968 25.0-109.9-177.5 174.7 2.6 6.7 29.2 28 45 T S E -JL 15 36C 1 8,-2.4 8,-2.6 -2,-0.3 2,-0.6 -0.985 18.0-132.9-130.1 135.8 4.0 3.1 29.5 29 46 T L E + L 0 35C 1 -15,-2.0 74,-2.1 -2,-0.4 6,-0.2 -0.746 24.8 173.9 -85.5 117.2 5.3 1.2 32.5 30 47 T I E - 0 0 21 4,-1.8 2,-0.3 -2,-0.6 -1,-0.2 0.618 68.2 -9.7 -98.9 -15.9 8.6 -0.5 31.7 31 48 T N E > S- L 0 34C 44 3,-1.1 3,-0.7 70,-0.1 -1,-0.2 -0.941 90.8 -72.7-164.2 178.4 9.4 -1.8 35.2 32 49 T S T 3 S+ 0 0 46 -2,-0.3 62,-3.3 1,-0.2 60,-0.1 0.654 127.7 23.3 -58.8 -17.3 8.2 -1.5 38.7 33 50 T Q T 3 S+ 0 0 55 60,-0.2 57,-2.5 1,-0.1 2,-0.4 0.396 108.6 74.5-133.0 7.5 9.5 2.1 39.2 34 51 T W E < -LM 31 89C 9 -3,-0.7 -4,-1.8 55,-0.2 -3,-1.1 -0.966 47.2-170.0-130.9 142.5 9.9 3.7 35.7 35 52 T V E -LM 29 88C 0 53,-2.8 53,-3.0 -2,-0.4 2,-0.4 -0.963 10.2-151.1-126.8 140.9 7.6 5.2 33.1 36 53 T V E +LM 28 87C 1 -8,-2.6 -8,-2.4 -2,-0.4 2,-0.2 -0.938 30.2 145.4-113.3 133.0 8.3 6.3 29.6 37 54 T S E - M 0 86C 0 49,-2.3 49,-2.5 -2,-0.4 2,-0.3 -0.738 51.5 -64.7-144.1-166.9 6.3 9.1 27.9 38 55 T A > - 0 0 0 -12,-0.4 3,-1.8 47,-0.3 47,-0.2 -0.702 33.4-132.6 -93.1 143.8 6.8 11.9 25.4 39 56 T A G > S+ 0 0 3 -2,-0.3 3,-1.9 1,-0.3 -1,-0.1 0.818 106.3 63.7 -62.0 -31.5 9.1 14.8 26.2 40 57 T H G 3 S+ 0 0 68 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.547 93.7 63.9 -73.4 -1.6 6.4 17.3 25.1 41 58 T b G < S+ 0 0 5 -3,-1.8 -1,-0.3 2,-0.0 -2,-0.2 0.399 76.6 134.7 -95.3 -0.9 4.2 16.0 27.9 42 59 T Y < + 0 0 137 -3,-1.9 2,-0.3 -4,-0.1 -3,-0.0 -0.164 21.6 145.7 -52.5 142.1 6.8 17.3 30.5 43 60 T K - 0 0 59 3,-0.0 3,-0.3 0, 0.0 2,-0.2 -0.951 45.8-107.1-170.7 157.4 5.3 19.2 33.4 44 61 T S S S+ 0 0 93 -2,-0.3 0, 0.0 1,-0.2 0, 0.0 -0.625 95.9 33.2 -92.3 155.5 6.0 19.7 37.1 45 62 T G S S+ 0 0 69 -2,-0.2 2,-0.4 1,-0.2 -1,-0.2 0.961 78.1 173.8 65.7 52.8 3.9 18.0 39.8 46 63 T I - 0 0 11 -3,-0.3 21,-1.7 21,-0.1 2,-0.5 -0.790 17.5-164.6 -97.4 132.6 3.0 14.9 37.9 47 64 T Q E -KN 19 66C 52 -28,-2.5 -28,-2.8 -2,-0.4 2,-0.5 -0.970 13.8-142.3-115.5 128.3 1.1 12.0 39.5 48 65 T V E -KN 18 65C 0 17,-3.0 17,-3.0 -2,-0.5 2,-0.6 -0.782 10.9-160.8 -93.4 128.8 1.1 8.6 37.7 49 66 T R E -KN 17 64C 53 -32,-2.5 -32,-1.8 -2,-0.5 3,-0.3 -0.929 11.8-177.1-114.2 114.5 -2.1 6.6 37.8 50 67 T L E + N 0 63C 2 13,-2.8 13,-1.8 -2,-0.6 -34,-0.1 -0.642 61.3 34.4-104.7 162.7 -1.8 2.8 37.1 51 69 T G S S+ 0 0 8 -36,-0.4 10,-0.3 48,-0.3 -1,-0.2 0.675 85.6 155.1 68.2 19.3 -4.5 0.1 36.8 52 70 T E + 0 0 10 -37,-0.4 -42,-0.3 -3,-0.3 -1,-0.2 -0.446 21.5 146.1 -83.4 148.3 -6.8 2.7 35.3 53 71 T D S S+ 0 0 14 1,-0.3 2,-1.0 4,-0.2 -1,-0.1 0.245 79.7 32.8-136.4 -79.1 -9.8 2.2 33.0 54 72 T N S > S- 0 0 31 3,-0.2 3,-1.5 80,-0.2 -1,-0.3 -0.759 73.7-161.5 -84.6 108.1 -12.5 4.7 33.7 55 73 T I T 3 S+ 0 0 29 78,-2.4 -1,-0.2 -2,-1.0 79,-0.1 0.539 84.9 53.0 -69.9 -5.0 -10.3 7.7 34.7 56 74 T N T 3 S+ 0 0 121 77,-0.2 2,-0.4 1,-0.1 -1,-0.2 0.345 105.1 58.5-108.2 4.0 -13.3 9.5 36.5 57 75 T V S < S- 0 0 78 -3,-1.5 2,-0.7 76,-0.2 -4,-0.2 -0.961 78.2-129.1-140.4 121.5 -14.3 6.6 38.7 58 76 T V + 0 0 117 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.0 -0.543 32.8 172.8 -68.7 110.6 -12.3 4.7 41.4 59 77 T E - 0 0 99 -2,-0.7 -1,-0.2 -5,-0.2 -7,-0.0 0.584 50.3 -99.8 -98.8 -13.2 -12.9 1.1 40.3 60 78 T G S S+ 0 0 58 -9,-0.0 -2,-0.1 0, 0.0 -8,-0.1 0.351 103.2 74.9 117.1 -10.3 -10.6 -0.7 42.6 61 79 T N + 0 0 61 -10,-0.3 2,-0.1 38,-0.0 -9,-0.1 0.278 67.1 119.7-117.8 11.0 -7.4 -1.6 40.8 62 80 T E - 0 0 33 -13,-0.0 2,-0.4 -11,-0.0 -11,-0.2 -0.358 41.3-166.3 -79.3 155.2 -5.7 1.8 40.6 63 81 T Q E -N 50 0C 38 -13,-1.8 -13,-2.8 -2,-0.1 2,-0.6 -0.957 7.2-160.0-140.0 115.6 -2.4 2.8 42.1 64 82 T F E +N 49 0C 84 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.899 17.6 173.8-102.8 117.7 -1.6 6.5 42.3 65 83 T I E -N 48 0C 15 -17,-3.0 -17,-3.0 -2,-0.6 2,-0.1 -0.985 25.7-131.0-130.4 129.9 2.1 7.3 42.6 66 84 T S E -N 47 0C 53 -2,-0.4 25,-2.7 -19,-0.2 26,-0.3 -0.346 26.6-116.4 -71.7 154.2 3.9 10.6 42.6 67 85 T A E -O 90 0C 19 -21,-1.7 23,-0.2 23,-0.2 3,-0.1 -0.697 23.1-172.6 -91.0 145.2 6.9 11.2 40.4 68 86 T S E S+ 0 0 63 21,-3.1 2,-0.3 1,-0.4 22,-0.2 0.692 71.4 13.1-107.2 -28.3 10.2 11.9 42.1 69 87 T K E -O 89 0C 93 20,-1.2 20,-2.7 2,-0.0 2,-0.4 -0.992 58.8-160.0-151.9 141.2 12.3 12.7 39.0 70 88 T S E -O 88 0C 45 -2,-0.3 2,-0.5 18,-0.2 18,-0.2 -0.973 6.4-166.9-122.3 137.1 11.7 13.5 35.3 71 89 T I E -O 87 0C 35 16,-3.1 16,-2.7 -2,-0.4 2,-0.3 -0.914 3.3-162.7-130.2 105.4 14.3 13.1 32.6 72 90 T V E -O 86 0C 49 -2,-0.5 14,-0.2 14,-0.2 12,-0.1 -0.635 43.3 -88.8 -82.1 144.7 13.6 14.7 29.2 73 91 T H > - 0 0 25 12,-2.0 3,-1.6 10,-0.3 -1,-0.1 -0.209 34.5-122.2 -53.2 139.4 15.9 13.3 26.5 74 92 T P T 3 S+ 0 0 100 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.798 108.7 41.0 -55.8 -29.6 19.1 15.3 26.2 75 93 T S T 3 S+ 0 0 77 8,-0.1 7,-0.1 2,-0.1 2,-0.1 0.163 78.0 144.7-107.4 19.2 18.5 16.1 22.5 76 94 T Y < - 0 0 60 -3,-1.6 2,-0.6 9,-0.1 7,-0.2 -0.353 31.6-161.9 -61.3 131.2 14.8 16.9 22.5 77 95 T N B >> -P 82 0D 67 5,-1.9 4,-2.7 1,-0.1 5,-0.7 -0.951 6.6-164.4-117.3 107.4 13.9 19.7 20.1 78 96 T S T 45S+ 0 0 80 -2,-0.6 -1,-0.1 1,-0.2 -2,-0.0 0.682 87.5 57.8 -65.6 -18.2 10.4 21.1 21.0 79 97 T N T 45S+ 0 0 153 1,-0.1 -1,-0.2 3,-0.1 -3,-0.0 0.891 124.1 18.5 -78.8 -41.6 10.2 22.8 17.6 80 98 T T T 45S- 0 0 64 -3,-0.3 -2,-0.2 2,-0.1 -1,-0.1 0.550 96.2-131.1-103.5 -13.2 10.6 19.6 15.5 81 99 T L T ><5 + 0 0 33 -4,-2.7 3,-0.8 1,-0.2 2,-0.3 0.763 48.9 160.2 65.9 25.6 9.7 17.1 18.2 82 100 T N B 3 < +P 77 0D 35 -5,-0.7 -5,-1.9 1,-0.3 -1,-0.2 -0.619 67.1 17.7 -77.7 139.4 12.8 15.1 17.3 83 101 T N T 3 S+ 0 0 20 -2,-0.3 2,-2.0 1,-0.2 -10,-0.3 0.909 80.8 176.3 64.7 42.1 13.8 12.8 20.3 84 102 T D < + 0 0 1 -3,-0.8 2,-0.3 75,-0.2 -1,-0.2 -0.544 33.8 114.4 -81.1 77.2 10.3 13.2 21.8 85 103 T I - 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