==== 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 1V2L . 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) . 9455.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 133 59.6 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 . 16 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 12 5.4 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 1 0 0 0 0 1 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 2 0, 0.0 2,-0.5 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 122.9 59.6 62.4 -32.3 2 17 T V B +A 171 0A 10 169,-3.3 169,-1.9 1,-0.2 123,-0.1 -0.861 360.0 6.0-102.3 132.0 61.7 62.6 -29.1 3 18 T G S S+ 0 0 44 121,-0.5 -1,-0.2 -2,-0.5 169,-0.1 0.670 102.4 121.8 74.5 17.8 63.5 59.5 -27.9 4 19 T G - 0 0 33 -3,-0.4 2,-0.3 167,-0.1 134,-0.2 -0.052 54.6-117.0 -96.0-160.2 62.5 57.5 -31.0 5 20 T Y E -B 137 0B 102 132,-2.6 132,-3.6 -3,-0.1 2,-0.5 -0.921 34.9 -85.0-138.9 162.2 64.4 55.6 -33.7 6 21 T T E -B 136 0B 75 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.581 36.6-151.3 -70.8 118.9 64.9 55.7 -37.4 7 22 T a - 0 0 19 128,-1.8 -1,-0.2 -2,-0.5 129,-0.1 0.914 35.8-113.4 -56.5 -50.0 62.0 53.8 -38.9 8 23 T G > - 0 0 26 127,-0.5 3,-1.8 -3,-0.1 4,-0.3 -0.058 47.9 -54.2 116.4 139.6 63.7 52.6 -42.0 9 24 T A T 3 S- 0 0 50 1,-0.3 44,-0.1 2,-0.1 43,-0.0 -0.193 117.8 -15.0 -51.2 119.7 62.9 53.7 -45.6 10 25 T N T 3 S+ 0 0 25 42,-0.3 -1,-0.3 2,-0.1 43,-0.1 0.691 90.2 128.7 59.5 26.9 59.2 53.1 -46.4 11 26 T T S < S+ 0 0 84 -3,-1.8 -2,-0.1 1,-0.3 -1,-0.1 0.557 75.9 49.2 -84.7 -9.0 58.5 50.8 -43.5 12 27 T V S > S+ 0 0 7 -4,-0.3 3,-1.9 87,-0.1 -1,-0.3 -0.669 74.1 173.9-126.8 71.0 55.5 53.0 -42.6 13 28 T P T 3 S+ 0 0 32 0, 0.0 88,-1.3 0, 0.0 38,-0.3 0.581 71.8 58.3 -57.8 -15.8 53.9 53.2 -46.1 14 29 T Y T 3 S+ 0 0 22 86,-0.2 15,-2.2 88,-0.1 2,-0.3 0.501 80.7 108.6 -94.0 -5.7 50.7 55.0 -44.9 15 30 T Q E < -J 28 0C 5 -3,-1.9 36,-0.4 13,-0.2 37,-0.4 -0.540 47.8-175.6 -75.1 131.5 52.7 58.0 -43.5 16 31 T V E -J 27 0C 1 11,-2.2 11,-1.2 -2,-0.3 2,-0.4 -0.884 19.6-137.6-125.7 158.0 52.4 61.2 -45.5 17 32 T S E -JK 26 49C 1 32,-2.1 32,-2.6 -2,-0.3 2,-0.6 -0.960 14.4-141.5-114.3 132.7 54.0 64.6 -45.2 18 33 T L E -JK 25 48C 0 7,-3.2 6,-2.1 -2,-0.4 7,-1.0 -0.854 23.9-166.1 -95.1 126.7 51.9 67.7 -45.7 19 34 T N E +JK 23 47C 23 28,-3.0 28,-2.1 -2,-0.6 4,-0.2 -0.954 30.4 164.8-123.1 131.8 53.9 70.4 -47.6 20 37 T S S S- 0 0 30 2,-2.1 3,-0.1 -2,-0.4 26,-0.1 -0.264 96.9 -46.4-131.7 41.8 53.2 74.1 -48.1 21 38 T G S S+ 0 0 68 26,-0.1 2,-0.3 1,-0.1 -2,-0.1 0.205 139.7 24.1 108.6 -10.0 56.7 75.0 -49.3 22 39 T Y S S- 0 0 138 -4,-0.0 -2,-2.1 0, 0.0 2,-0.3 -0.933 102.9 -78.0-171.7 160.4 58.1 73.0 -46.5 23 40 T H E +J 19 0C 36 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.580 53.1 155.5 -71.7 130.0 57.0 70.0 -44.3 24 41 T F E + 0 0 33 -6,-2.1 2,-0.3 1,-0.4 151,-0.2 0.523 58.7 5.6-131.3 -14.9 54.6 71.3 -41.6 25 42 T b E -J 18 0C 7 -7,-1.0 -7,-3.2 151,-0.1 -1,-0.4 -0.987 61.4-122.6-163.5 163.9 52.5 68.3 -40.5 26 43 T G E +J 17 0C 1 151,-3.3 12,-0.4 -2,-0.3 2,-0.3 -0.449 25.5 178.0-103.7-179.7 52.0 64.5 -41.0 27 44 T G E -J 16 0C 0 -11,-1.2 -11,-2.2 -2,-0.2 2,-0.4 -0.963 23.5-116.8-169.4 173.5 49.0 62.6 -42.2 28 45 T S E -JL 15 36C 1 8,-2.4 8,-2.7 -2,-0.3 2,-0.6 -0.992 18.4-131.8-130.7 134.1 47.8 59.0 -42.9 29 46 T L E + L 0 35C 1 -15,-2.2 74,-2.3 -2,-0.4 6,-0.2 -0.726 26.1 173.6 -82.8 121.2 46.6 57.6 -46.2 30 47 T I E - 0 0 20 4,-2.2 2,-0.3 -2,-0.6 5,-0.2 0.543 67.9 -11.3-105.3 -11.3 43.3 55.7 -45.6 31 48 T N E > S- L 0 34C 43 3,-1.1 3,-0.7 70,-0.1 -1,-0.3 -0.937 89.8 -74.6-170.4 174.5 42.5 54.9 -49.3 32 49 T S T 3 S+ 0 0 41 -2,-0.3 62,-3.1 1,-0.2 60,-0.1 0.669 128.1 27.1 -57.8 -18.4 43.8 55.9 -52.8 33 50 T Q T 3 S+ 0 0 79 60,-0.2 57,-2.7 1,-0.1 2,-0.4 0.438 109.8 71.1-124.8 -0.5 42.2 59.3 -52.7 34 51 T W E < -LM 31 89C 8 -3,-0.7 -4,-2.2 55,-0.2 -3,-1.1 -0.963 46.7-173.6-130.7 142.1 41.9 60.3 -49.0 35 52 T V E -LM 29 88C 0 53,-2.5 53,-2.7 -2,-0.4 2,-0.4 -0.944 13.8-147.9-125.1 143.1 44.2 61.4 -46.2 36 53 T V E +LM 28 87C 1 -8,-2.7 -8,-2.4 -2,-0.4 2,-0.2 -0.928 31.2 146.6-112.5 138.3 43.4 62.0 -42.6 37 54 T S E - M 0 86C 0 49,-2.6 49,-2.4 -2,-0.4 2,-0.3 -0.780 50.0 -64.7-149.2-168.5 45.3 64.6 -40.5 38 55 T A > - 0 0 0 -12,-0.4 3,-1.6 47,-0.3 47,-0.3 -0.711 33.3-134.0 -92.4 142.0 44.7 67.0 -37.7 39 56 T A G > S+ 0 0 3 -2,-0.3 3,-1.8 1,-0.3 -1,-0.1 0.837 106.0 62.0 -61.9 -33.1 42.4 70.0 -38.1 40 57 T H G 3 S+ 0 0 51 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.573 93.1 66.8 -72.2 -3.3 44.9 72.3 -36.6 41 58 T b G < S+ 0 0 4 -3,-1.6 -1,-0.3 -15,-0.0 -2,-0.2 0.368 74.3 133.4 -92.8 2.3 47.2 71.4 -39.5 42 59 T Y < + 0 0 129 -3,-1.8 2,-0.3 -4,-0.1 -3,-0.0 -0.278 21.7 152.3 -59.2 139.3 44.8 73.1 -41.9 43 60 T K - 0 0 59 0, 0.0 3,-0.4 0, 0.0 2,-0.2 -0.956 44.8-105.1-159.7 153.3 46.4 75.5 -44.5 44 61 T S S S+ 0 0 92 -2,-0.3 0, 0.0 1,-0.2 0, 0.0 -0.615 99.1 25.4 -85.2 148.3 45.4 76.5 -48.0 45 62 T G S S+ 0 0 73 -2,-0.2 2,-0.3 1,-0.2 -1,-0.2 0.938 80.1 179.5 67.9 48.7 47.3 75.1 -50.9 46 63 T I - 0 0 5 -3,-0.4 21,-2.2 -26,-0.1 2,-0.5 -0.623 15.2-159.6 -84.8 138.6 48.4 71.8 -49.3 47 64 T Q E -KN 19 66C 56 -28,-2.1 -28,-3.0 -2,-0.3 2,-0.4 -0.976 12.2-142.1-116.6 132.4 50.5 69.3 -51.3 48 65 T V E -KN 18 65C 0 17,-3.3 17,-2.8 -2,-0.5 2,-0.6 -0.813 10.7-157.2 -96.9 132.4 50.5 65.7 -50.0 49 66 T R E -KN 17 64C 50 -32,-2.6 -32,-2.1 -2,-0.4 3,-0.3 -0.949 12.6-175.7-116.5 117.4 53.7 63.8 -50.3 50 67 T L E + N 0 63C 2 13,-2.9 13,-1.8 -2,-0.6 -34,-0.1 -0.716 61.2 29.6-107.9 158.0 53.6 60.0 -50.3 51 69 T G S S+ 0 0 7 -36,-0.4 10,-0.3 -38,-0.3 2,-0.2 0.699 84.5 153.6 68.5 21.8 56.4 57.4 -50.3 52 70 T E + 0 0 11 -37,-0.4 -42,-0.3 -3,-0.3 -1,-0.2 -0.537 21.5 149.9 -86.6 146.0 58.7 59.7 -48.4 53 71 T D S S+ 0 0 14 1,-0.3 2,-0.8 4,-0.2 82,-0.2 0.326 80.8 30.9-129.0 -77.8 61.6 58.8 -46.2 54 72 T N S > S- 0 0 28 80,-0.2 3,-1.3 3,-0.2 -1,-0.3 -0.762 73.5-160.0 -84.9 111.2 64.2 61.6 -46.4 55 73 T I T 3 S+ 0 0 29 78,-2.5 -1,-0.1 -2,-0.8 79,-0.1 0.506 86.6 50.1 -72.6 -1.6 62.0 64.7 -47.1 56 74 T N T 3 S+ 0 0 122 77,-0.2 2,-0.4 1,-0.1 -1,-0.2 0.375 103.4 63.2-114.3 1.8 64.9 66.7 -48.5 57 75 T V S < S- 0 0 74 -3,-1.3 2,-0.8 76,-0.2 -4,-0.2 -0.993 78.6-129.2-130.5 128.3 66.3 64.2 -51.0 58 76 T V + 0 0 120 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.0 -0.655 33.3 172.7 -75.8 111.3 64.5 62.8 -54.0 59 77 T E - 0 0 98 -2,-0.8 -1,-0.2 -5,-0.2 -7,-0.0 0.575 48.8-103.6 -99.5 -11.1 64.9 59.1 -53.5 60 78 T G S S+ 0 0 58 0, 0.0 -2,-0.1 0, 0.0 -9,-0.0 0.452 102.0 76.4 108.1 -1.2 62.7 57.7 -56.3 61 79 T N + 0 0 59 -10,-0.3 2,-0.1 38,-0.0 -9,-0.1 0.298 65.7 121.8-123.7 9.9 59.5 56.5 -54.6 62 80 T E - 0 0 38 -13,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.342 39.2-168.3 -76.6 153.2 57.8 59.8 -54.0 63 81 T Q E -N 50 0C 38 -13,-1.8 -13,-2.9 -2,-0.1 2,-0.6 -0.969 7.1-161.5-139.9 119.2 54.4 60.8 -55.3 64 82 T F E +N 49 0C 86 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.933 16.9 171.1-107.7 118.9 53.4 64.5 -54.9 65 83 T I E -N 48 0C 14 -17,-2.8 -17,-3.3 -2,-0.6 2,-0.1 -0.990 25.5-133.8-133.9 127.9 49.7 65.2 -55.1 66 84 T S E -N 47 0C 47 -2,-0.4 25,-2.5 -19,-0.3 26,-0.3 -0.415 29.2-106.9 -77.4 154.0 47.9 68.5 -54.4 67 85 T A E -O 90 0C 22 -21,-2.2 23,-0.2 23,-0.2 3,-0.1 -0.581 24.7-171.4 -80.2 141.2 44.7 68.5 -52.3 68 86 T S E S+ 0 0 63 21,-3.1 2,-0.3 1,-0.4 22,-0.2 0.653 75.0 8.9-102.2 -22.9 41.4 69.1 -54.2 69 87 T K E -O 89 0C 95 20,-1.2 20,-2.8 2,-0.0 2,-0.4 -0.976 60.3-159.2-158.9 141.5 39.3 69.5 -51.1 70 88 T S E -O 88 0C 44 -2,-0.3 2,-0.5 18,-0.2 18,-0.2 -0.984 6.6-168.1-125.4 136.4 39.9 69.8 -47.3 71 89 T I E -O 87 0C 33 16,-3.0 16,-2.6 -2,-0.4 2,-0.3 -0.904 3.7-162.8-131.0 105.1 37.3 69.1 -44.7 72 90 T V E -O 86 0C 51 -2,-0.5 14,-0.2 14,-0.2 12,-0.1 -0.622 43.1 -89.1 -82.2 142.3 37.8 70.1 -41.1 73 91 T H > - 0 0 23 12,-2.2 3,-1.8 -2,-0.3 -1,-0.1 -0.201 34.9-123.4 -51.4 137.6 35.6 68.4 -38.6 74 92 T P T 3 S+ 0 0 100 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.803 109.1 43.5 -55.3 -29.8 32.3 70.4 -38.1 75 93 T S T 3 S+ 0 0 73 8,-0.1 -2,-0.1 2,-0.1 7,-0.1 0.178 77.6 145.2-104.4 18.4 32.9 70.6 -34.4 76 94 T Y < - 0 0 55 -3,-1.8 2,-0.6 9,-0.1 7,-0.2 -0.340 31.9-161.0 -59.0 130.7 36.6 71.5 -34.3 77 95 T N B >> -P 82 0D 67 5,-2.1 4,-2.6 1,-0.1 5,-0.6 -0.953 9.8-165.9-118.0 110.0 37.5 73.8 -31.5 78 96 T S T 45S+ 0 0 78 -2,-0.6 -1,-0.1 1,-0.2 -2,-0.0 0.649 86.9 60.1 -69.9 -14.6 40.8 75.6 -31.9 79 97 T E T 45S+ 0 0 170 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.864 125.2 14.3 -80.3 -37.7 40.8 76.7 -28.3 80 98 T T T 45S- 0 0 48 -3,-0.3 -2,-0.2 2,-0.1 77,-0.2 0.510 95.1-126.0-113.2 -10.7 40.8 73.2 -26.8 81 99 T Y T ><5 + 0 0 71 -4,-2.6 3,-0.9 1,-0.3 2,-0.2 0.700 50.9 162.9 67.5 21.4 41.7 71.2 -29.9 82 100 T N B 3 < +P 77 0D 34 -5,-0.6 -5,-2.1 1,-0.3 -1,-0.3 -0.536 67.4 15.7 -70.2 136.0 38.6 69.1 -29.3 83 101 T N T 3 S+ 0 0 16 -2,-0.2 2,-2.1 -7,-0.2 -1,-0.3 0.900 80.9 178.6 65.0 43.0 37.7 67.2 -32.5 84 102 T D < + 0 0 0 -3,-0.9 2,-0.3 75,-0.2 -1,-0.2 -0.519 34.1 115.3 -79.1 77.7 41.2 67.8 -34.0 85 103 T I + 0 0 0 -2,-2.1 -12,-2.2 -47,-0.3 2,-0.3 -0.997 36.8 179.4-148.6 146.0 40.7 65.9 -37.2 86 104 T M E -MO 37 72C 0 -49,-2.4 -49,-2.6 -2,-0.3 2,-0.4 -0.996 17.4-141.8-148.8 145.4 40.5 66.8 -40.9 87 105 T L E -MO 36 71C 0 -16,-2.6 -16,-3.0 -2,-0.3 2,-0.4 -0.881 13.3-164.4-109.7 141.9 40.1 64.9 -44.2 88 106 T I E -MO 35 70C 0 -53,-2.7 -53,-2.5 -2,-0.4 2,-0.5 -0.992 6.8-152.1-128.3 125.8 42.0 65.8 -47.3 89 107 T K E -MO 34 69C 45 -20,-2.8 -21,-3.1 -2,-0.4 -20,-1.2 -0.842 18.8-130.1 -98.9 133.2 40.9 64.6 -50.8 90 108 T L E - 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