==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 24-AUG-99 1QL9 . COMPND 2 MOLECULE: TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR M.T.STUBBS . 223 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9432.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 139 62.3 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 . 3 1.3 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 . 21 9.4 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 A I 0 0 1 0, 0.0 2,-0.4 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 122.0 0.3 49.7 50.5 2 17 A V B +A 171 0A 8 169,-3.0 169,-1.9 1,-0.2 123,-0.1 -0.842 360.0 4.3 -97.7 133.1 -1.0 53.0 52.0 3 18 A G S S+ 0 0 41 121,-0.6 -1,-0.2 -2,-0.4 167,-0.1 0.694 102.3 121.5 69.4 20.8 -2.6 55.4 49.5 4 19 A G - 0 0 27 -3,-0.4 2,-0.3 167,-0.1 134,-0.2 -0.085 57.8-111.9 -97.3-160.7 -2.4 53.0 46.6 5 20 A Y E -B 137 0B 105 132,-2.8 132,-3.5 -3,-0.1 2,-0.4 -0.940 33.2 -92.8-135.2 156.1 -5.0 51.6 44.3 6 21 A T E -B 136 0B 65 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.580 47.2-125.3 -71.6 122.2 -6.4 48.1 43.7 7 22 A a - 0 0 2 128,-2.2 3,-0.1 -2,-0.4 128,-0.1 -0.345 29.0 -97.5 -66.4 149.1 -4.4 46.4 40.9 8 23 A Q > - 0 0 152 1,-0.2 3,-2.4 2,-0.1 4,-0.3 -0.378 62.5 -75.7 -64.1 144.6 -6.3 45.1 37.9 9 24 A E T 3 S- 0 0 100 1,-0.3 -1,-0.2 2,-0.1 44,-0.1 -0.195 112.8 -11.1 -48.9 119.4 -6.8 41.3 38.3 10 25 A N T 3 S+ 0 0 18 42,-0.3 -1,-0.3 -3,-0.1 43,-0.1 0.724 91.9 132.0 59.9 28.4 -3.5 39.6 37.6 11 26 A S S < S+ 0 0 64 -3,-2.4 -2,-0.1 1,-0.3 -1,-0.1 0.540 72.5 50.5 -83.7 -8.4 -1.9 42.7 36.1 12 27 A V S > S+ 0 0 5 -4,-0.3 3,-1.9 87,-0.1 -1,-0.3 -0.613 71.7 170.0-126.9 68.9 1.2 42.1 38.3 13 28 A P T 3 S+ 0 0 28 0, 0.0 88,-1.4 0, 0.0 38,-0.3 0.560 70.4 59.4 -59.6 -14.4 1.9 38.4 37.3 14 29 A Y T 3 S+ 0 0 24 86,-0.2 15,-2.3 88,-0.1 2,-0.3 0.502 80.3 107.6 -93.8 -7.1 5.3 38.2 39.0 15 30 A Q E < -J 28 0C 4 -3,-1.9 36,-0.5 13,-0.2 37,-0.4 -0.579 48.2-175.9 -75.8 130.1 3.9 39.1 42.4 16 31 A V E -J 27 0C 0 11,-2.3 11,-1.2 -2,-0.3 2,-0.5 -0.882 20.7-133.3-125.3 157.0 3.8 36.2 44.9 17 32 A S E -JK 26 49C 0 32,-2.3 32,-2.6 -2,-0.3 2,-0.7 -0.940 13.7-141.9-110.9 127.9 2.5 35.9 48.5 18 33 A L E -JK 25 48C 0 7,-3.1 6,-2.4 -2,-0.5 7,-1.1 -0.845 27.9-170.2 -91.0 116.3 4.7 34.2 51.1 19 34 A N E +JK 23 47C 16 28,-3.1 28,-2.9 -2,-0.7 4,-0.2 -0.923 30.6 166.6-116.4 132.8 2.3 32.2 53.2 20 37 A S S S- 0 0 37 2,-2.3 3,-0.1 -2,-0.4 -1,-0.1 -0.385 96.0 -48.4-133.2 50.1 3.0 30.4 56.5 21 38 A G S S+ 0 0 71 26,-0.1 2,-0.3 1,-0.0 -2,-0.1 0.066 140.3 29.8 102.5 -21.6 -0.6 29.8 57.4 22 39 A Y S S- 0 0 139 -4,-0.1 -2,-2.3 0, 0.0 2,-0.4 -0.955 102.2 -83.9-158.7 158.8 -1.3 33.5 56.6 23 40 A H E +J 19 0C 14 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.597 52.3 156.0 -71.4 126.8 0.2 36.0 54.3 24 41 A F E + 0 0 31 -6,-2.4 151,-0.3 -2,-0.4 2,-0.3 0.544 60.0 3.7-127.0 -16.7 3.3 37.6 55.9 25 42 A b E -J 18 0C 6 -7,-1.1 -7,-3.1 151,-0.1 -1,-0.4 -0.969 61.4-127.4-161.0 169.2 5.5 38.9 53.0 26 43 A G E +J 17 0C 1 151,-3.3 12,-0.4 -2,-0.3 2,-0.3 -0.563 23.1 177.3-115.8-178.4 5.6 39.3 49.3 27 44 A G E -J 16 0C 0 -11,-1.2 -11,-2.3 -2,-0.2 2,-0.4 -0.976 25.0-110.8-172.0 173.9 8.1 38.4 46.6 28 45 A S E -JL 15 36C 1 8,-2.3 8,-2.6 -2,-0.3 2,-0.6 -0.980 21.1-131.2-126.1 133.4 8.9 38.4 42.9 29 46 A L E + L 0 35C 0 -15,-2.3 74,-2.2 -2,-0.4 6,-0.2 -0.715 26.8 174.1 -80.7 117.9 9.1 35.4 40.5 30 47 A I E - 0 0 21 4,-2.5 2,-0.3 -2,-0.6 5,-0.2 0.550 67.4 -7.0-102.0 -12.1 12.4 35.8 38.6 31 48 A N E > S- L 0 34C 39 3,-1.2 3,-1.3 70,-0.1 -1,-0.3 -0.943 92.0 -74.2-169.8 167.6 12.2 32.4 36.8 32 49 A D T 3 S+ 0 0 73 -2,-0.3 62,-2.4 1,-0.3 60,-0.1 0.546 129.1 20.5 -50.9 -10.1 10.0 29.2 36.7 33 50 A Q T 3 S+ 0 0 48 60,-0.2 57,-2.8 1,-0.1 2,-0.4 0.344 110.1 77.4-142.6 7.4 11.5 28.0 40.0 34 51 A W E < -LM 31 89C 10 -3,-1.3 -4,-2.5 55,-0.2 -3,-1.2 -0.977 46.5-174.2-131.8 137.1 13.0 31.0 41.8 35 52 A V E -LM 29 88C 0 53,-2.5 53,-3.0 -2,-0.4 2,-0.4 -0.946 14.1-147.0-124.4 139.5 11.6 33.8 43.9 36 53 A V E +LM 28 87C 0 -8,-2.6 -8,-2.3 -2,-0.4 51,-0.2 -0.917 33.0 144.8-109.7 134.5 13.4 36.8 45.3 37 54 A S E - M 0 86C 0 49,-3.0 49,-2.5 -2,-0.4 2,-0.4 -0.693 49.8 -63.8-144.7-161.8 12.2 38.4 48.6 38 55 A A > - 0 0 0 -12,-0.4 3,-2.2 47,-0.3 47,-0.2 -0.821 30.3-134.5-102.2 140.1 13.7 40.0 51.7 39 56 A A G > S+ 0 0 2 -2,-0.4 3,-1.8 1,-0.3 -1,-0.1 0.840 106.1 64.3 -58.3 -33.5 16.0 38.3 54.2 40 57 A H G 3 S+ 0 0 59 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.593 92.6 64.7 -68.8 -6.4 13.9 39.7 57.0 41 58 A b G < S+ 0 0 4 -3,-2.2 -1,-0.3 -15,-0.1 -2,-0.2 0.226 76.7 139.6 -97.7 11.6 11.0 37.6 55.7 42 59 A Y < + 0 0 101 -3,-1.8 2,-0.3 2,-0.0 -3,-0.0 -0.313 19.1 161.5 -62.9 138.0 12.8 34.4 56.5 43 60 A K - 0 0 59 -2,-0.1 3,-0.1 1,-0.0 -2,-0.0 -0.963 45.8-121.6-152.0 145.7 10.9 31.4 57.9 44 61 A S S S+ 0 0 98 -2,-0.3 2,-0.4 1,-0.2 26,-0.1 0.712 102.6 33.1 -63.9 -23.9 11.9 27.7 58.0 45 62 A R S S+ 0 0 214 2,-0.0 2,-0.4 21,-0.0 -1,-0.2 -0.983 71.5 168.1-138.3 124.3 8.8 26.7 56.1 46 63 A I - 0 0 6 -2,-0.4 21,-2.8 21,-0.2 2,-0.6 -0.998 23.7-152.7-139.0 138.8 7.1 28.9 53.5 47 64 A Q E -KN 19 66C 49 -28,-2.9 -28,-3.1 -2,-0.4 2,-0.5 -0.964 20.2-146.0-110.4 121.7 4.4 28.2 50.9 48 66 A V E -KN 18 65C 0 17,-3.5 17,-2.9 -2,-0.6 2,-0.5 -0.796 10.9-157.9 -89.5 128.6 4.7 30.5 47.9 49 67 A R E -KN 17 64C 52 -32,-2.6 -32,-2.3 -2,-0.5 3,-0.3 -0.945 12.3-177.5-114.0 122.1 1.4 31.5 46.3 50 68 A L E + N 0 63C 3 13,-2.8 13,-1.6 -2,-0.5 -34,-0.1 -0.742 58.6 35.0-114.4 161.8 1.3 32.7 42.7 51 69 A G S S+ 0 0 3 -36,-0.5 10,-0.3 48,-0.4 2,-0.2 0.797 83.1 153.7 67.8 29.3 -1.5 34.0 40.4 52 70 A E + 0 0 8 -37,-0.4 -42,-0.3 -3,-0.3 -1,-0.2 -0.575 24.2 148.8 -93.8 151.5 -3.2 35.7 43.3 53 71 A H S S+ 0 0 15 1,-0.4 82,-1.1 4,-0.2 2,-0.7 0.279 83.7 32.4-135.7 -66.1 -5.4 38.7 43.4 54 72 A N B > S-P 134 0D 26 3,-0.3 3,-1.0 80,-0.2 -1,-0.4 -0.880 72.0-163.4 -97.2 111.9 -7.7 38.1 46.3 55 73 A I T 3 S+ 0 0 26 78,-2.4 -1,-0.1 -2,-0.7 79,-0.1 0.678 86.8 49.3 -71.9 -15.7 -5.6 36.2 48.9 56 74 A N T 3 S+ 0 0 114 77,-0.2 2,-0.4 1,-0.1 -1,-0.2 0.302 105.9 60.6-106.4 10.1 -8.7 35.0 50.8 57 75 A V S < S- 0 0 76 -3,-1.0 2,-0.6 76,-0.2 -3,-0.3 -0.999 78.9-125.6-140.3 131.3 -10.8 33.7 47.9 58 76 A L + 0 0 136 -2,-0.4 -3,-0.1 1,-0.1 -6,-0.0 -0.684 32.9 169.5 -77.5 117.6 -10.0 30.9 45.4 59 77 A E - 0 0 58 -2,-0.6 -1,-0.1 -5,-0.2 -7,-0.0 0.468 52.0-104.5-108.3 -9.1 -10.4 32.5 41.9 60 78 A G S S+ 0 0 66 0, 0.0 -2,-0.1 0, 0.0 -9,-0.0 0.436 101.7 81.4 101.7 -0.5 -8.9 29.7 39.7 61 79 A N + 0 0 39 -10,-0.3 2,-0.1 38,-0.0 -9,-0.1 0.376 63.6 118.3-117.2 4.8 -5.5 31.1 38.8 62 80 A E - 0 0 36 -13,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.372 38.5-172.6 -78.7 149.8 -3.5 30.2 41.9 63 81 A Q E -N 50 0C 39 -13,-1.6 -13,-2.8 -2,-0.1 2,-0.6 -0.985 9.7-160.7-138.7 117.3 -0.6 27.8 42.1 64 82 A F E +N 49 0C 79 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.950 16.5 172.5-105.9 120.2 0.6 27.0 45.6 65 83 A V E -N 48 0C 14 -17,-2.9 -17,-3.5 -2,-0.6 2,-0.2 -0.988 27.6-126.6-130.3 136.9 4.2 25.7 45.8 66 84 A N E -N 47 0C 92 -2,-0.4 25,-2.6 -19,-0.3 2,-0.3 -0.519 30.0-109.7 -81.5 147.6 6.3 25.0 48.9 67 85 A A E -O 90 0C 21 -21,-2.8 23,-0.3 23,-0.2 -21,-0.2 -0.606 29.4-175.5 -75.8 133.4 9.8 26.6 49.2 68 86 A A E S+ 0 0 62 21,-3.4 2,-0.4 1,-0.3 22,-0.2 0.842 74.4 22.3 -94.2 -48.5 12.6 24.0 48.9 69 87 A K E -O 89 0C 83 20,-1.7 20,-2.8 2,-0.0 2,-0.7 -0.985 62.3-169.0-126.4 123.4 15.6 26.2 49.6 70 88 A I E -O 88 0C 33 -2,-0.4 2,-0.6 18,-0.2 18,-0.2 -0.947 13.9-177.1-113.6 107.1 15.3 29.5 51.5 71 89 A I E -O 87 0C 40 16,-3.2 16,-2.9 -2,-0.7 2,-0.1 -0.909 8.6-162.5-113.2 105.3 18.6 31.3 51.1 72 90 A K E -O 86 0C 67 -2,-0.6 14,-0.2 14,-0.2 12,-0.1 -0.491 42.2 -88.4 -78.6 154.8 19.1 34.6 52.9 73 91 A H > - 0 0 19 12,-2.2 3,-2.2 10,-0.3 -1,-0.1 -0.494 38.1-127.5 -64.4 129.4 22.0 36.9 51.7 74 92 A P T 3 S+ 0 0 94 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.779 106.0 46.9 -47.9 -35.1 25.1 35.8 53.7 75 93 A N T 3 S+ 0 0 108 8,-0.1 2,-0.2 2,-0.1 -2,-0.1 0.059 76.2 142.9-100.7 25.6 25.8 39.3 54.9 76 94 A F < - 0 0 26 -3,-2.2 2,-0.6 9,-0.1 7,-0.2 -0.481 36.4-157.0 -66.4 129.7 22.3 40.2 56.0 77 95 A D B >> -Q 82 0E 62 5,-2.0 4,-2.6 -2,-0.2 5,-0.6 -0.933 6.2-160.8-112.6 108.4 22.5 42.4 59.1 78 96 A R T 45S+ 0 0 152 -2,-0.6 -1,-0.1 1,-0.2 -2,-0.0 0.619 89.2 54.3 -64.0 -12.2 19.2 42.2 61.0 79 97 A E T 45S+ 0 0 173 1,-0.1 -1,-0.2 3,-0.1 -3,-0.0 0.839 123.3 21.8 -89.9 -37.7 20.0 45.4 62.9 80 98 A T T 45S- 0 0 64 -3,-0.4 -2,-0.2 2,-0.1 77,-0.1 0.518 94.5-131.5-105.3 -11.6 20.7 47.7 59.9 81 99 A Y T ><5 + 0 0 78 -4,-2.6 3,-0.9 1,-0.2 2,-0.2 0.701 50.7 158.5 64.7 20.2 18.7 45.7 57.3 82 100 A N B 3 < +Q 77 0E 35 -5,-0.6 -5,-2.0 1,-0.3 -1,-0.2 -0.522 64.7 17.4 -73.7 141.3 21.7 46.0 55.0 83 101 A N T 3 S+ 0 0 20 1,-0.2 2,-2.1 -7,-0.2 -10,-0.3 0.874 80.1 173.3 61.9 40.4 21.8 43.3 52.3 84 102 A D < + 0 0 0 -3,-0.9 2,-0.3 75,-0.2 -1,-0.2 -0.506 31.2 117.2 -80.7 74.6 18.1 42.6 53.0 85 103 A I - 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