==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 04-JAN-09 3FP8 . COMPND 2 MOLECULE: ANIONIC TRYPSIN-2; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR E.ZAKHAROVA,M.P.HORVATH,D.P.GOLDENBERG,K.CURTICE . 280 2 9 9 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11957.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 171 61.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 81 28.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 1.1 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 1.1 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 . 24 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 22 7.9 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 1 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 . 5 2 2 5 2 1 1 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 1 0 0 0 1 0 0 1 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 E I 0 0 0 0, 0.0 3,-0.4 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 117.9 9.8 25.7 12.0 2 17 E V B +A 171 0A 12 169,-2.9 169,-1.9 1,-0.2 123,-0.1 -0.819 360.0 5.8 -97.0 132.0 8.3 22.5 10.6 3 18 E G S S+ 0 0 37 121,-0.7 -1,-0.2 -2,-0.4 2,-0.1 0.707 103.1 117.1 73.2 19.8 10.1 20.8 7.7 4 19 E G - 0 0 29 -3,-0.4 2,-0.3 167,-0.1 134,-0.2 -0.038 58.8-114.2 -98.5-154.9 13.1 23.1 7.8 5 20 E Y E -B 137 0B 104 132,-2.4 132,-3.3 -3,-0.1 2,-0.4 -0.953 34.1 -87.8-142.9 158.6 16.8 22.6 8.4 6 21 E T E -B 136 0B 69 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.560 49.9-122.0 -71.2 123.9 19.3 23.6 11.1 7 22 E a - 0 0 3 128,-2.3 3,-0.1 -2,-0.4 128,-0.1 -0.335 32.2 -95.0 -64.0 149.6 20.7 27.0 10.1 8 23 E Q > - 0 0 149 1,-0.2 3,-2.4 2,-0.1 4,-0.2 -0.441 65.3 -78.8 -62.2 137.1 24.5 27.2 9.7 9 24 E E T 3 S- 0 0 95 1,-0.3 -1,-0.2 2,-0.1 44,-0.1 -0.172 111.5 -9.0 -46.8 122.1 25.8 28.5 13.1 10 25 E N T 3 S+ 0 0 22 42,-0.2 -1,-0.3 2,-0.1 -2,-0.1 0.725 92.3 130.8 58.6 29.6 25.2 32.2 13.3 11 26 E S S < S+ 0 0 60 -3,-2.4 -2,-0.1 1,-0.3 -1,-0.1 0.485 71.8 51.7 -86.4 -5.9 24.2 32.5 9.6 12 27 E V S > S+ 0 0 5 -4,-0.2 3,-1.9 87,-0.1 -1,-0.3 -0.615 70.1 168.1-127.4 68.0 21.1 34.5 10.6 13 28 E P T 3 S+ 0 0 29 0, 0.0 88,-1.6 0, 0.0 38,-0.3 0.599 71.3 59.3 -60.7 -14.8 22.8 37.2 12.8 14 29 E Y T 3 S+ 0 0 25 86,-0.2 15,-2.3 88,-0.1 2,-0.3 0.529 81.4 105.5 -91.2 -9.8 19.8 39.4 12.9 15 30 E Q E < -K 28 0C 4 -3,-1.9 36,-0.5 13,-0.2 37,-0.4 -0.576 49.6-177.0 -75.2 128.8 17.6 36.7 14.6 16 31 E V E -K 27 0C 1 11,-2.4 11,-1.1 -2,-0.3 2,-0.5 -0.847 21.9-132.4-123.4 159.6 17.0 37.2 18.3 17 32 E S E -KL 26 49C 2 32,-2.4 32,-2.8 -2,-0.3 2,-0.5 -0.951 14.7-144.1-110.7 130.2 15.2 35.2 20.9 18 33 E L E -KL 25 48C 0 7,-3.2 6,-2.5 -2,-0.5 7,-1.1 -0.881 26.1-175.5 -94.8 128.1 12.7 36.9 23.2 19 34 E N E +KL 23 47C 14 28,-2.8 28,-2.7 -2,-0.5 4,-0.2 -0.980 30.6 164.7-132.7 135.4 12.9 35.4 26.7 20 37 E S S S- 0 0 53 2,-1.7 3,-0.1 -2,-0.4 -1,-0.1 -0.004 97.9 -38.2-133.7 26.0 10.8 36.0 29.8 21 38 E G S S+ 0 0 57 1,-0.2 2,-0.3 26,-0.1 -2,-0.1 -0.258 140.6 21.3 142.7 -43.0 12.0 32.9 31.7 22 39 E Y S S- 0 0 177 -4,-0.0 -2,-1.7 0, 0.0 2,-0.2 -0.914 102.0 -79.5-142.1 163.7 12.0 30.7 28.6 23 40 E H E +K 19 0C 19 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.525 55.0 158.2 -67.0 132.0 12.2 31.4 24.9 24 41 E F E + 0 0 3 -6,-2.5 217,-2.3 1,-0.4 2,-0.3 0.513 56.6 4.5-133.4 -13.8 8.7 32.4 23.7 25 42 E b E -K 18 0C 0 -7,-1.1 -7,-3.2 215,-0.2 -1,-0.4 -0.977 61.8-122.8-164.0 165.9 9.1 34.4 20.5 26 43 E G E +K 17 0C 1 151,-3.4 12,-0.4 -2,-0.3 2,-0.3 -0.491 24.7 178.6-107.4-178.2 11.6 35.5 17.9 27 44 E G E -K 16 0C 0 -11,-1.1 -11,-2.4 -2,-0.2 2,-0.4 -0.961 23.5-116.2-171.2 171.7 12.5 39.0 16.6 28 45 E S E -KM 15 36C 0 8,-2.3 8,-2.6 -2,-0.3 2,-0.6 -0.989 19.4-130.4-128.5 133.1 14.8 40.8 14.3 29 46 E L E + M 0 35C 0 -15,-2.3 74,-1.9 -2,-0.4 6,-0.2 -0.697 29.3 170.4 -80.8 119.3 17.6 43.3 15.1 30 47 E I E - 0 0 21 4,-2.3 2,-0.3 -2,-0.6 5,-0.2 0.618 68.2 -3.3-103.6 -21.8 17.1 46.4 12.8 31 48 E N E > S- M 0 34C 47 3,-1.3 3,-1.0 70,-0.1 -1,-0.3 -0.935 89.7 -83.8-156.8 170.0 19.6 48.7 14.5 32 49 E D T 3 S+ 0 0 66 -2,-0.3 62,-2.6 1,-0.2 60,-0.1 0.544 127.3 30.2 -62.3 -2.8 21.9 48.5 17.5 33 50 E Q T 3 S+ 0 0 68 60,-0.2 57,-3.0 1,-0.1 2,-0.4 0.390 111.1 70.2-131.5 -1.5 19.2 49.5 19.9 34 51 E W E < -MN 31 89C 4 -3,-1.0 -4,-2.3 55,-0.2 -3,-1.3 -0.972 46.8-174.6-133.4 140.6 16.0 48.2 18.3 35 52 E V E -MN 29 88C 0 53,-2.5 53,-2.8 -2,-0.4 2,-0.4 -0.935 14.8-148.2-124.3 140.8 14.3 44.9 17.6 36 53 E V E +MN 28 87C 0 -8,-2.6 -8,-2.3 -2,-0.4 51,-0.2 -0.941 31.4 146.5-112.9 135.2 11.1 44.4 15.6 37 54 E S E - N 0 86C 0 49,-3.0 49,-2.3 -2,-0.4 2,-0.3 -0.659 49.5 -62.6-143.8-163.7 8.7 41.5 16.5 38 55 E A > - 0 0 0 -12,-0.4 3,-1.5 47,-0.3 47,-0.3 -0.758 34.4-131.7 -95.7 144.0 5.0 40.6 16.5 39 56 E A G > S+ 0 0 1 -2,-0.3 3,-1.7 1,-0.3 -1,-0.1 0.824 106.6 62.3 -63.1 -31.1 2.5 42.5 18.7 40 57 E H G 3 S+ 0 0 17 1,-0.3 -1,-0.3 41,-0.1 200,-0.1 0.597 91.8 68.8 -73.0 -4.6 1.0 39.2 20.0 41 58 E b G < S+ 0 0 0 -3,-1.5 -1,-0.3 199,-0.1 -2,-0.2 0.320 74.9 135.6 -90.4 5.1 4.5 38.5 21.5 42 59 E Y < + 0 0 106 -3,-1.7 2,-0.3 2,-0.0 -3,-0.0 -0.295 21.6 161.2 -59.9 137.7 4.0 41.4 24.0 43 60 E K - 0 0 56 1,-0.0 3,-0.1 -2,-0.0 -2,-0.0 -0.953 46.2-122.2-150.6 147.1 4.9 40.8 27.6 44 61 E S S S+ 0 0 79 -2,-0.3 2,-0.4 1,-0.2 26,-0.0 0.770 103.8 38.9 -64.9 -27.2 5.6 43.5 30.3 45 62 E R S S+ 0 0 202 2,-0.0 2,-0.4 -25,-0.0 -1,-0.2 -0.992 72.7 168.9-128.3 123.2 9.1 42.2 30.8 46 63 E I - 0 0 8 -2,-0.4 21,-2.9 21,-0.3 2,-0.5 -0.999 20.2-159.4-138.6 134.4 11.3 40.9 28.0 47 64 E Q E -LO 19 66C 44 -28,-2.7 -28,-2.8 -2,-0.4 2,-0.5 -0.959 17.6-144.9-110.6 128.8 14.9 39.9 27.7 48 66 E V E -LO 18 65C 0 17,-3.4 17,-2.7 -2,-0.5 2,-0.6 -0.829 9.6-161.0 -96.9 128.2 16.4 39.9 24.2 49 67 E R E -LO 17 64C 49 -32,-2.8 -32,-2.4 -2,-0.5 3,-0.3 -0.950 12.8-177.0-114.4 115.4 19.0 37.3 23.5 50 68 E L E + O 0 63C 1 13,-2.8 13,-1.9 -2,-0.6 -34,-0.1 -0.701 59.1 33.3-108.4 160.2 21.3 37.9 20.5 51 69 E G S S+ 0 0 2 -36,-0.5 10,-0.2 48,-0.4 2,-0.2 0.709 83.2 154.3 69.5 22.2 24.0 35.8 18.9 52 70 E E + 0 0 10 -37,-0.4 -1,-0.2 -3,-0.3 -42,-0.2 -0.546 23.0 151.0 -87.6 144.7 22.2 32.6 19.7 53 71 E H S S+ 0 0 15 1,-0.3 82,-1.4 4,-0.2 2,-0.8 0.440 82.6 31.7-127.1 -64.4 22.4 29.3 17.9 54 72 E N B > S-Q 134 0D 24 80,-0.2 3,-1.3 3,-0.2 -1,-0.3 -0.876 70.1-165.4 -98.2 108.0 21.7 26.7 20.7 55 73 E I T 3 S+ 0 0 28 78,-2.2 -1,-0.1 -2,-0.8 79,-0.1 0.624 86.2 53.1 -70.8 -9.3 19.3 28.5 23.1 56 74 E N T 3 S+ 0 0 111 77,-0.3 2,-0.4 1,-0.1 -1,-0.2 0.274 103.0 62.0-108.8 10.0 19.9 25.9 25.8 57 75 E V S < S- 0 0 77 -3,-1.3 2,-1.0 76,-0.2 -4,-0.2 -1.000 79.6-125.6-138.9 133.2 23.7 26.1 25.9 58 76 E L + 0 0 150 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.0 -0.717 37.2 170.3 -78.8 105.3 26.0 29.0 26.8 59 77 E E - 0 0 57 -2,-1.0 -1,-0.2 -5,-0.2 -4,-0.0 0.720 45.4-112.5 -91.0 -30.0 28.2 29.1 23.6 60 78 E G S S+ 0 0 60 -9,-0.0 -2,-0.1 0, 0.0 -9,-0.0 0.371 98.5 79.0 113.5 -6.0 30.1 32.3 24.1 61 79 E N + 0 0 47 -10,-0.2 -9,-0.1 38,-0.0 38,-0.1 0.456 68.7 116.0-109.5 -4.8 28.8 34.6 21.3 62 80 E E - 0 0 31 -11,-0.0 2,-0.4 -13,-0.0 -11,-0.2 -0.256 45.5-162.6 -71.9 151.1 25.5 35.6 23.1 63 81 E Q E -O 50 0C 36 -13,-1.9 -13,-2.8 2,-0.1 2,-0.6 -1.000 6.2-158.8-131.9 125.0 24.4 39.0 24.3 64 82 E F E +O 49 0C 89 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.946 19.8 166.4-108.9 118.5 21.6 39.3 26.8 65 83 E V E -O 48 0C 12 -17,-2.7 -17,-3.4 -2,-0.6 2,-0.1 -0.996 28.6-129.8-136.5 131.7 19.9 42.7 27.0 66 84 E N E -O 47 0C 90 -2,-0.4 25,-2.6 -19,-0.3 2,-0.5 -0.438 29.9-105.3 -79.4 150.5 16.6 43.7 28.6 67 85 E A E -P 90 0C 23 -21,-2.9 -21,-0.3 23,-0.2 23,-0.2 -0.649 31.5-178.2 -76.4 123.1 13.8 45.6 26.9 68 86 E A E S+ 0 0 62 21,-3.1 2,-0.4 -2,-0.5 22,-0.2 0.804 74.6 20.0 -88.6 -37.0 13.7 49.2 28.0 69 87 E K E -P 89 0C 81 20,-1.6 20,-2.6 2,-0.0 2,-0.5 -0.998 62.2-167.8-136.8 138.1 10.7 50.1 25.8 70 88 E I E -P 88 0C 40 -2,-0.4 2,-0.5 18,-0.2 18,-0.2 -0.972 11.9-178.7-128.9 113.5 8.1 47.9 24.3 71 89 E I E -P 87 0C 43 16,-3.2 16,-2.8 -2,-0.5 2,-0.2 -0.912 8.3-163.5-123.1 107.9 5.8 49.5 21.7 72 90 E K E -P 86 0C 82 -2,-0.5 14,-0.2 14,-0.2 12,-0.1 -0.502 42.1 -87.3 -82.6 153.8 3.0 47.7 19.9 73 91 E H > - 0 0 21 12,-2.3 3,-1.8 10,-0.3 -1,-0.1 -0.388 36.7-127.7 -59.8 135.4 1.5 49.1 16.7 74 92 E P T 3 S+ 0 0 97 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.732 106.9 47.5 -59.2 -22.6 -1.3 51.5 17.8 75 93 E N T 3 S+ 0 0 105 8,-0.1 2,-0.1 2,-0.1 -2,-0.1 0.197 77.5 140.3-105.1 15.3 -3.8 49.7 15.5 76 94 E F < - 0 0 38 -3,-1.8 2,-0.6 9,-0.1 7,-0.2 -0.385 37.5-156.8 -61.7 130.2 -3.0 46.1 16.5 77 95 E D > - 0 0 71 5,-2.0 4,-1.9 -2,-0.1 5,-0.2 -0.955 6.6-156.9-112.5 117.0 -6.2 44.0 16.7 78 96 E R T 4 S+ 0 0 169 -2,-0.6 185,-0.4 1,-0.2 -1,-0.1 0.494 91.3 41.6 -71.5 -5.6 -5.7 40.9 19.0 79 97 E K T 4 S+ 0 0 83 183,-0.1 -1,-0.2 3,-0.1 183,-0.0 0.791 124.3 30.4-106.9 -46.9 -8.6 39.0 17.3 80 98 E T T 4 S- 0 0 73 2,-0.1 -2,-0.2 76,-0.0 77,-0.1 0.665 95.5-137.8 -84.9 -20.3 -8.1 39.7 13.6 81 99 E L >< + 0 0 5 -4,-1.9 3,-0.8 1,-0.2 -3,-0.1 0.582 45.0 158.0 71.5 14.7 -4.3 40.0 14.0 82 100 E N T 3 + 0 0 37 1,-0.2 -5,-2.0 -5,-0.2 -1,-0.2 -0.461 65.6 17.5 -69.0 137.8 -4.2 43.1 11.7 83 101 E N T 3 S+ 0 0 14 -7,-0.2 2,-2.1 1,-0.2 -10,-0.3 0.880 77.6 176.1 65.8 43.3 -1.1 45.2 12.3 84 102 E D < + 0 0 1 -3,-0.8 2,-0.3 75,-0.2 123,-0.2 -0.491 33.6 116.1 -80.9 75.3 0.7 42.4 14.2 85 103 E I - 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