==== 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 3FP6 . COMPND 2 MOLECULE: ANIONIC TRYPSIN-2; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR E.ZAKHAROVA,M.P.HORVATH,D.P.GOLDENBERG . 280 2 9 9 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11938.0 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 . 83 29.6 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 . 4 1.4 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 . 6 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 2,-0.4 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 118.0 9.9 25.5 12.0 2 17 E V B +A 171 0A 12 169,-3.0 169,-1.9 1,-0.2 123,-0.1 -0.833 360.0 6.4 -97.2 131.9 8.4 22.4 10.5 3 18 E G S S+ 0 0 37 121,-0.6 -1,-0.2 -2,-0.4 122,-0.1 0.699 103.6 116.8 73.5 18.7 10.2 20.7 7.6 4 19 E G - 0 0 29 -3,-0.4 2,-0.3 167,-0.1 134,-0.2 -0.039 58.6-114.8 -97.8-155.4 13.2 23.0 7.8 5 20 E Y E -B 137 0B 103 132,-2.4 132,-3.3 -3,-0.1 2,-0.4 -0.945 34.0 -87.1-142.8 160.1 16.9 22.5 8.4 6 21 E T E -B 136 0B 69 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.577 49.9-122.2 -72.1 123.6 19.4 23.5 11.1 7 22 E a - 0 0 3 128,-2.4 3,-0.1 -2,-0.4 128,-0.1 -0.349 31.3 -97.8 -64.0 147.8 20.8 26.9 10.2 8 23 E Q > - 0 0 148 1,-0.2 3,-2.2 2,-0.1 4,-0.3 -0.440 64.4 -75.2 -63.0 140.5 24.6 27.2 9.8 9 24 E E T 3 S- 0 0 98 1,-0.3 -1,-0.2 2,-0.1 44,-0.1 -0.130 112.6 -11.3 -43.8 126.6 26.0 28.6 13.0 10 25 E N T 3 S+ 0 0 27 42,-0.2 -1,-0.3 1,-0.1 -2,-0.1 0.718 91.3 132.9 48.7 35.8 25.2 32.3 13.2 11 26 E S S < S+ 0 0 60 -3,-2.2 -1,-0.1 1,-0.3 -2,-0.1 0.473 73.9 49.9 -88.6 -5.5 24.2 32.4 9.6 12 27 E V S > S+ 0 0 7 -4,-0.3 3,-1.7 87,-0.1 -1,-0.3 -0.618 70.1 166.9-130.4 68.2 21.1 34.4 10.7 13 28 E P T 3 S+ 0 0 29 0, 0.0 88,-1.6 0, 0.0 38,-0.3 0.592 71.5 59.6 -62.0 -15.2 22.9 37.1 12.9 14 29 E Y T 3 S+ 0 0 25 86,-0.2 15,-2.3 88,-0.1 2,-0.3 0.536 81.0 105.9 -90.1 -11.3 19.8 39.3 13.0 15 30 E Q E < -K 28 0C 4 -3,-1.7 36,-0.5 13,-0.2 37,-0.4 -0.555 49.1-177.9 -73.5 128.8 17.7 36.6 14.7 16 31 E V E -K 27 0C 1 11,-2.3 11,-1.2 -2,-0.3 2,-0.4 -0.858 22.1-132.2-124.4 159.9 17.0 37.1 18.4 17 32 E S E -KL 26 49C 2 32,-2.2 32,-2.8 -2,-0.3 2,-0.5 -0.948 14.1-144.0-111.3 132.2 15.2 35.1 21.0 18 33 E L E -KL 25 48C 0 7,-3.2 6,-2.4 -2,-0.4 7,-1.2 -0.888 26.0-175.9 -96.8 127.4 12.7 36.8 23.3 19 34 E N E +KL 23 47C 12 28,-2.8 28,-2.6 -2,-0.5 4,-0.2 -0.984 30.1 165.0-132.3 133.9 12.9 35.3 26.8 20 37 E S S S- 0 0 59 2,-1.5 3,-0.1 -2,-0.4 -1,-0.1 -0.002 97.4 -38.3-132.9 27.7 10.8 35.8 29.9 21 38 E G S S+ 0 0 58 1,-0.1 2,-0.3 26,-0.1 -2,-0.1 -0.218 140.2 20.8 141.8 -42.2 11.9 32.7 31.8 22 39 E Y S S- 0 0 183 -4,-0.1 -2,-1.5 0, 0.0 2,-0.2 -0.941 102.7 -78.7-144.7 159.1 12.0 30.5 28.8 23 40 E H E +K 19 0C 19 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.465 55.9 157.6 -62.0 129.6 12.2 31.2 25.0 24 41 E F E + 0 0 3 -6,-2.4 217,-2.4 1,-0.4 2,-0.3 0.537 56.9 5.2-131.4 -15.5 8.7 32.2 23.9 25 42 E b E -K 18 0C 0 -7,-1.2 -7,-3.2 215,-0.2 -1,-0.4 -0.975 61.6-125.0-161.9 165.8 9.1 34.3 20.6 26 43 E G E +K 17 0C 1 151,-3.6 12,-0.4 -2,-0.3 2,-0.3 -0.509 24.1 179.2-108.9-178.7 11.6 35.4 18.1 27 44 E G E -K 16 0C 0 -11,-1.2 -11,-2.3 -2,-0.2 2,-0.4 -0.961 23.3-116.1-169.6 173.0 12.5 38.8 16.8 28 45 E S E -KM 15 36C 0 8,-2.3 8,-2.6 -2,-0.3 2,-0.5 -0.991 19.8-129.9-129.1 133.9 14.8 40.7 14.4 29 46 E L E + M 0 35C 0 -15,-2.3 74,-2.0 -2,-0.4 6,-0.2 -0.707 29.1 170.6 -81.3 120.2 17.6 43.2 15.2 30 47 E I E - 0 0 22 4,-2.3 2,-0.3 -2,-0.5 5,-0.2 0.599 68.4 -3.4-104.5 -19.1 17.1 46.3 13.0 31 48 E N E > S- M 0 34C 48 3,-1.3 3,-1.2 70,-0.1 -1,-0.4 -0.943 89.1 -83.8-160.6 166.8 19.6 48.6 14.6 32 49 E D T 3 S+ 0 0 66 -2,-0.3 62,-2.6 1,-0.2 60,-0.1 0.550 127.6 30.0 -59.0 -4.0 22.0 48.4 17.6 33 50 E Q T 3 S+ 0 0 66 60,-0.2 57,-3.0 1,-0.1 2,-0.4 0.389 111.2 70.0-131.4 -1.8 19.2 49.4 20.1 34 51 E W E < -MN 31 89C 4 -3,-1.2 -4,-2.3 55,-0.2 -3,-1.3 -0.973 46.8-174.5-133.3 140.7 16.0 48.1 18.4 35 52 E V E -MN 29 88C 0 53,-2.5 53,-2.8 -2,-0.4 2,-0.4 -0.935 14.6-148.2-124.3 142.1 14.3 44.8 17.7 36 53 E V E +MN 28 87C 0 -8,-2.6 -8,-2.3 -2,-0.4 51,-0.2 -0.937 31.2 146.2-114.0 136.4 11.1 44.2 15.8 37 54 E S E - N 0 86C 0 49,-2.9 49,-2.5 -2,-0.4 2,-0.3 -0.701 49.6 -61.7-145.3-164.3 8.7 41.4 16.6 38 55 E A > - 0 0 0 -12,-0.4 3,-1.5 47,-0.3 47,-0.3 -0.726 35.1-131.3 -94.1 144.9 5.0 40.5 16.7 39 56 E A G > S+ 0 0 0 -2,-0.3 3,-1.7 1,-0.3 -1,-0.1 0.836 106.9 62.0 -64.0 -32.2 2.5 42.4 18.8 40 57 E H G 3 S+ 0 0 18 1,-0.3 -1,-0.3 41,-0.1 200,-0.1 0.565 91.2 69.7 -72.4 -3.8 1.1 39.1 20.2 41 58 E b G < S+ 0 0 1 -3,-1.5 -1,-0.3 199,-0.0 -2,-0.2 0.279 74.1 135.4 -91.0 8.0 4.5 38.4 21.7 42 59 E Y < + 0 0 106 -3,-1.7 2,-0.3 2,-0.0 -3,-0.0 -0.348 22.1 161.9 -62.4 136.9 4.0 41.3 24.1 43 60 E K - 0 0 58 -2,-0.1 3,-0.1 1,-0.0 -2,-0.0 -0.958 46.4-121.2-149.5 145.3 5.0 40.7 27.8 44 61 E S S S+ 0 0 85 -2,-0.3 2,-0.4 1,-0.2 26,-0.0 0.798 104.0 36.4 -61.1 -29.7 5.6 43.3 30.4 45 62 E R S S+ 0 0 162 -25,-0.0 2,-0.4 2,-0.0 -1,-0.2 -0.994 72.6 170.2-128.6 126.8 9.1 42.1 30.9 46 63 E I - 0 0 8 -2,-0.4 21,-2.8 21,-0.3 2,-0.5 -1.000 19.7-158.2-140.0 134.7 11.3 40.7 28.1 47 64 E Q E -LO 19 66C 45 -28,-2.6 -28,-2.8 -2,-0.4 2,-0.5 -0.958 17.7-144.8-110.2 128.6 14.9 39.8 27.9 48 66 E V E -LO 18 65C 0 17,-3.5 17,-2.7 -2,-0.5 2,-0.6 -0.830 9.5-160.8 -96.4 128.7 16.4 39.8 24.4 49 67 E R E -LO 17 64C 50 -32,-2.8 -32,-2.2 -2,-0.5 3,-0.3 -0.945 12.7-176.5-114.4 115.1 19.0 37.2 23.6 50 68 E L E + O 0 63C 1 13,-2.8 13,-2.0 -2,-0.6 -34,-0.1 -0.699 59.4 33.0-108.0 159.7 21.3 37.8 20.6 51 69 E G S S+ 0 0 3 -36,-0.5 2,-0.2 48,-0.3 10,-0.2 0.711 82.5 155.4 70.2 22.1 24.0 35.8 19.0 52 70 E E + 0 0 11 -37,-0.4 -1,-0.2 -3,-0.3 -42,-0.2 -0.561 22.6 151.5 -87.0 143.7 22.2 32.5 19.8 53 71 E H S S+ 0 0 19 1,-0.3 82,-1.5 4,-0.2 2,-0.7 0.485 82.5 31.4-126.2 -62.3 22.5 29.2 18.0 54 72 E N B > -Q 134 0D 24 3,-0.2 3,-1.2 80,-0.2 -1,-0.3 -0.893 70.0-165.2-100.8 108.5 21.7 26.6 20.8 55 73 E I T 3 S+ 0 0 27 78,-2.1 -1,-0.1 -2,-0.7 79,-0.1 0.631 86.3 53.3 -70.7 -10.4 19.2 28.4 23.1 56 74 E N T 3 S+ 0 0 111 77,-0.3 2,-0.4 1,-0.1 -1,-0.2 0.312 103.5 60.6-106.5 6.7 19.8 25.7 25.8 57 75 E V S < S- 0 0 78 -3,-1.2 2,-1.0 76,-0.2 -4,-0.2 -1.000 79.4-125.1-137.8 134.4 23.6 26.0 26.0 58 76 E L + 0 0 150 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.0 -0.715 36.3 172.6 -78.4 105.5 25.9 28.9 26.9 59 77 E E - 0 0 57 -2,-1.0 -1,-0.2 -5,-0.2 -4,-0.0 0.744 45.4-110.7 -88.7 -30.9 28.1 29.0 23.8 60 78 E G S S+ 0 0 63 -9,-0.0 -2,-0.1 0, 0.0 -9,-0.0 0.442 100.1 77.2 113.4 1.0 30.1 32.1 24.3 61 79 E N + 0 0 47 -10,-0.2 -9,-0.1 38,-0.0 38,-0.1 0.434 67.6 116.2-118.2 -3.4 28.8 34.5 21.6 62 80 E E - 0 0 30 -13,-0.0 2,-0.4 -11,-0.0 -11,-0.2 -0.286 45.3-160.7 -73.9 151.0 25.5 35.5 23.3 63 81 E Q E -O 50 0C 38 -13,-2.0 -13,-2.8 2,-0.1 2,-0.6 -1.000 6.4-159.5-129.8 123.6 24.5 38.9 24.4 64 82 E F E +O 49 0C 87 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.946 19.3 167.0-108.5 118.9 21.6 39.2 27.0 65 83 E V E -O 48 0C 12 -17,-2.7 -17,-3.5 -2,-0.6 2,-0.1 -0.998 28.6-128.3-135.6 134.0 19.9 42.6 27.1 66 84 E N E -O 47 0C 90 -2,-0.4 25,-2.6 -19,-0.3 2,-0.5 -0.421 29.7-106.0 -79.5 152.7 16.6 43.6 28.8 67 85 E A E -P 90 0C 24 -21,-2.8 -21,-0.3 23,-0.2 23,-0.2 -0.697 31.8-178.7 -79.9 120.7 13.8 45.4 27.0 68 86 E A E S+ 0 0 61 21,-2.9 2,-0.4 -2,-0.5 22,-0.2 0.816 74.3 19.3 -86.2 -37.5 13.7 49.1 28.1 69 87 E K E -P 89 0C 82 20,-1.5 20,-2.6 2,-0.0 2,-0.5 -0.997 62.2-167.9-136.7 137.7 10.7 50.0 26.0 70 88 E I E -P 88 0C 41 -2,-0.4 2,-0.5 18,-0.2 18,-0.2 -0.965 12.3-179.3-129.1 112.6 8.1 47.7 24.4 71 89 E I E -P 87 0C 42 16,-3.2 16,-3.0 -2,-0.5 2,-0.2 -0.924 8.4-163.4-122.7 108.8 5.8 49.4 21.9 72 90 E K E -P 86 0C 81 -2,-0.5 14,-0.2 14,-0.3 12,-0.1 -0.503 41.7 -87.0 -83.1 155.8 3.0 47.6 20.0 73 91 E H > - 0 0 20 12,-2.2 3,-1.8 10,-0.3 -1,-0.1 -0.405 36.8-127.9 -62.4 134.4 1.5 49.0 16.9 74 92 E P T 3 S+ 0 0 97 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.750 106.6 47.9 -57.6 -23.9 -1.4 51.3 18.0 75 93 E N T 3 S+ 0 0 106 8,-0.1 2,-0.1 2,-0.1 9,-0.1 0.187 77.5 140.2-104.1 16.2 -3.8 49.6 15.6 76 94 E F < - 0 0 37 -3,-1.8 2,-0.6 9,-0.1 7,-0.2 -0.390 37.4-157.3 -62.6 130.8 -3.0 46.0 16.6 77 95 E D > - 0 0 71 5,-2.0 4,-1.9 -2,-0.1 5,-0.2 -0.954 6.4-157.2-113.1 113.7 -6.2 43.8 16.9 78 96 E R T 4 S+ 0 0 204 -2,-0.6 185,-0.5 1,-0.2 -1,-0.1 0.564 90.9 42.6 -67.8 -5.6 -5.6 40.8 19.1 79 97 E K T 4 S+ 0 0 60 183,-0.1 -1,-0.2 3,-0.1 -3,-0.0 0.824 123.7 29.6-107.7 -44.4 -8.5 38.9 17.4 80 98 E T T 4 S- 0 0 69 2,-0.1 -2,-0.2 76,-0.0 77,-0.1 0.640 96.8-136.8 -87.2 -21.5 -8.1 39.5 13.7 81 99 E L >< + 0 0 5 -4,-1.9 3,-0.9 1,-0.2 2,-0.2 0.603 45.3 158.5 72.3 17.0 -4.3 39.9 14.2 82 100 E N T 3 + 0 0 36 1,-0.3 -5,-2.0 -5,-0.2 -1,-0.2 -0.479 65.8 17.0 -70.9 138.1 -4.2 42.9 11.9 83 101 E N T 3 S+ 0 0 15 -7,-0.2 2,-2.1 1,-0.2 -10,-0.3 0.867 78.1 175.6 65.7 42.1 -1.1 45.1 12.5 84 102 E D < + 0 0 0 -3,-0.9 2,-0.3 75,-0.2 123,-0.2 -0.481 33.0 116.5 -80.4 75.0 0.7 42.3 14.4 85 103 E I - 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