==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 27-DEC-05 2FI5 . COMPND 2 MOLECULE: CATIONIC TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR E.ZAKHAROVA,M.P.HORVATH,D.P.GOLDENBERG . 281 3 8 7 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12146.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 170 60.5 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 28.8 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 . 2 0.7 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 8.5 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 . 21 7.5 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 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 . 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 2 0, 0.0 2,-0.4 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 122.9 19.7 62.5 13.6 2 17 E V B +A 172 0A 8 170,-3.0 170,-1.9 1,-0.2 124,-0.1 -0.856 360.0 7.9-102.1 133.8 23.4 63.0 13.3 3 18 E G S S+ 0 0 42 122,-0.6 -1,-0.2 -2,-0.4 168,-0.1 0.660 102.8 119.0 74.0 18.3 25.8 60.0 13.5 4 19 E G - 0 0 35 -3,-0.4 2,-0.3 168,-0.1 135,-0.2 0.035 55.5-116.2 -96.9-155.7 22.9 57.5 13.4 5 20 E Y E -B 138 0B 98 133,-2.6 133,-3.3 -3,-0.1 2,-0.5 -0.952 35.4 -83.5-144.1 161.6 21.9 54.6 11.1 6 21 E T E -B 137 0B 75 -2,-0.3 131,-0.2 131,-0.2 130,-0.1 -0.566 36.5-153.3 -69.5 116.7 19.0 53.7 8.9 7 22 E a - 0 0 17 129,-1.8 -1,-0.2 -2,-0.5 130,-0.1 0.910 36.3-115.3 -56.8 -48.8 16.4 52.1 11.2 8 23 E G > - 0 0 25 128,-0.5 3,-2.0 -3,-0.1 4,-0.3 -0.063 48.8 -49.6 114.5 141.9 14.7 50.0 8.6 9 24 E A T 3 S- 0 0 50 1,-0.3 44,-0.1 2,-0.1 43,-0.0 -0.171 120.2 -16.2 -49.5 118.2 11.2 50.3 7.3 10 25 E N T 3 S+ 0 0 22 42,-0.3 -1,-0.3 2,-0.1 43,-0.1 0.700 89.8 132.3 58.9 27.1 8.6 50.4 10.1 11 26 E T S < S+ 0 0 82 -3,-2.0 -2,-0.1 1,-0.3 -1,-0.1 0.553 75.6 48.2 -81.0 -9.5 11.1 49.1 12.8 12 27 E V S > S+ 0 0 5 -4,-0.3 3,-1.9 88,-0.1 -1,-0.3 -0.672 74.0 174.9-128.7 71.6 10.0 52.0 15.0 13 28 E P T 3 S+ 0 0 31 0, 0.0 89,-1.3 0, 0.0 38,-0.3 0.585 73.6 57.1 -56.4 -17.9 6.2 51.6 14.7 14 29 E Y T 3 S+ 0 0 20 87,-0.2 15,-2.6 89,-0.1 2,-0.4 0.528 81.9 104.8 -92.3 -10.2 5.4 54.3 17.3 15 30 E Q E < -K 28 0C 5 -3,-1.9 36,-0.4 13,-0.2 37,-0.4 -0.612 49.6-179.7 -75.9 125.6 7.3 57.0 15.4 16 31 E V E -K 27 0C 2 11,-2.4 11,-1.2 -2,-0.4 2,-0.4 -0.819 22.4-131.7-122.5 162.8 5.1 59.5 13.6 17 32 E S E -KL 26 49C 0 32,-2.0 32,-3.1 -2,-0.3 2,-0.6 -0.939 12.9-141.9-114.1 135.2 5.7 62.6 11.5 18 33 E L E -KL 25 48C 0 7,-3.1 6,-2.3 -2,-0.4 7,-1.0 -0.902 25.2-167.2 -97.1 124.0 3.9 65.9 12.0 19 34 E N E +KL 23 47C 15 28,-2.9 28,-2.1 -2,-0.6 4,-0.2 -0.941 29.5 167.3-120.6 132.5 3.2 67.4 8.6 20 37 E S S S- 0 0 38 2,-2.3 3,-0.1 -2,-0.4 26,-0.1 -0.300 96.4 -46.0-131.6 45.7 2.0 71.0 7.9 21 38 E G S S+ 0 0 69 26,-0.1 2,-0.3 24,-0.1 -2,-0.1 0.315 140.0 22.0 103.7 -5.0 2.6 70.8 4.1 22 39 E Y S S- 0 0 61 -4,-0.0 -2,-2.3 0, 0.0 2,-0.4 -0.898 104.5 -74.0-177.3 161.2 6.0 69.3 4.9 23 40 E H E +K 19 0C 7 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.569 53.9 154.7 -71.2 126.9 7.6 67.4 7.7 24 41 E F E + 0 0 0 -6,-2.3 218,-2.5 1,-0.4 2,-0.3 0.535 60.6 5.5-128.7 -15.0 8.4 69.7 10.6 25 42 E b E -K 18 0C 0 -7,-1.0 -7,-3.1 216,-0.2 -1,-0.4 -0.978 61.2-125.5-161.7 165.8 8.5 67.5 13.8 26 43 E G E -K 17 0C 0 152,-3.5 12,-0.4 -2,-0.3 2,-0.3 -0.501 24.1-176.1-108.2-179.2 8.3 64.0 15.0 27 44 E G E -K 16 0C 0 -11,-1.2 -11,-2.4 -2,-0.2 2,-0.4 -0.965 22.3-118.2-168.1 168.8 6.0 62.4 17.6 28 45 E S E -KM 15 36C 1 8,-2.7 8,-3.0 -2,-0.3 2,-0.5 -0.983 20.5-133.6-126.3 125.5 5.2 59.2 19.5 29 46 E L E + M 0 35C 0 -15,-2.6 75,-2.3 -2,-0.4 6,-0.2 -0.630 26.0 173.0 -76.7 120.9 2.0 57.2 19.3 30 47 E I E - 0 0 23 4,-2.5 2,-0.3 -2,-0.5 5,-0.2 0.572 68.5 -8.8-104.4 -14.8 0.8 56.3 22.8 31 48 E N E > S- M 0 34C 52 3,-1.2 3,-1.1 71,-0.1 -1,-0.3 -0.935 89.5 -77.7-166.7 171.4 -2.6 54.8 21.9 32 49 E S T 3 S+ 0 0 37 -2,-0.3 62,-3.1 1,-0.2 60,-0.1 0.667 128.8 29.3 -55.5 -18.3 -4.8 54.6 18.8 33 50 E Q T 3 S+ 0 0 81 60,-0.2 57,-2.6 1,-0.1 2,-0.4 0.404 110.6 70.5-122.4 0.8 -6.0 58.2 19.2 34 51 E W E < -MN 31 89C 7 -3,-1.1 -4,-2.5 55,-0.2 -3,-1.2 -0.975 47.0-173.7-134.4 140.7 -3.1 60.0 20.9 35 52 E V E -MN 29 88C 0 53,-2.6 53,-2.9 -2,-0.4 2,-0.5 -0.953 16.2-143.7-126.1 139.3 0.4 61.2 20.1 36 53 E V E +MN 28 87C 0 -8,-3.0 -8,-2.7 -2,-0.4 2,-0.2 -0.890 35.7 145.7-102.9 132.6 3.0 62.8 22.4 37 54 E S E - N 0 86C 0 49,-2.6 49,-2.3 -2,-0.5 2,-0.3 -0.757 49.2 -67.7-146.1-168.7 5.2 65.5 20.9 38 55 E A > - 0 0 0 -12,-0.4 3,-1.4 47,-0.3 47,-0.3 -0.669 32.2-128.6 -92.6 150.2 7.0 68.8 22.0 39 56 E A G > S+ 0 0 3 -2,-0.3 3,-1.8 1,-0.3 -1,-0.1 0.862 110.3 59.3 -63.1 -35.2 5.1 72.0 22.9 40 57 E H G 3 S+ 0 0 10 1,-0.3 -1,-0.3 41,-0.1 201,-0.1 0.553 92.9 69.7 -72.9 -4.1 7.3 74.0 20.5 41 58 E b G < + 0 0 0 -3,-1.4 -1,-0.3 2,-0.1 2,-0.3 0.326 68.3 127.2 -90.0 2.2 5.9 71.7 17.7 42 59 E Y < + 0 0 118 -3,-1.8 2,-0.3 220,-0.1 -3,-0.0 -0.493 32.6 153.2 -62.5 128.0 2.5 73.3 18.1 43 60 E K > - 0 0 47 -2,-0.3 3,-0.5 0, 0.0 2,-0.2 -0.957 45.0 -95.3-151.9 160.9 1.4 74.4 14.6 44 61 E S T 3 S+ 0 0 88 -2,-0.3 0, 0.0 1,-0.2 0, 0.0 -0.493 99.6 14.3 -81.1 153.2 -1.8 75.0 12.7 45 62 E G T 3 S- 0 0 71 1,-0.2 -1,-0.2 -2,-0.2 2,-0.2 0.824 80.8-172.9 54.2 42.0 -3.3 72.3 10.5 46 63 E I < - 0 0 9 -3,-0.5 21,-2.6 -26,-0.1 2,-0.5 -0.429 10.2-167.1 -69.9 134.6 -1.2 69.4 11.8 47 64 E Q E -LO 19 66C 47 -28,-2.1 -28,-2.9 19,-0.2 2,-0.5 -0.995 14.3-141.7-120.2 123.9 -1.6 66.1 9.9 48 65 E V E -LO 18 65C 0 17,-3.1 17,-2.8 -2,-0.5 2,-0.6 -0.773 10.7-156.2 -89.3 127.8 -0.1 63.1 11.7 49 66 E R E -LO 17 64C 50 -32,-3.1 -32,-2.0 -2,-0.5 3,-0.3 -0.917 15.0-177.7-110.3 111.5 1.6 60.6 9.4 50 67 E L E + O 0 63C 2 13,-3.1 13,-2.0 -2,-0.6 -34,-0.1 -0.684 60.6 30.6-104.7 158.4 1.9 57.1 10.7 51 69 E G S S+ 0 0 6 -36,-0.4 10,-0.3 -38,-0.3 2,-0.2 0.706 85.8 153.9 68.3 22.0 3.5 54.0 9.2 52 70 E E + 0 0 10 -37,-0.4 -42,-0.3 -3,-0.3 -1,-0.2 -0.526 21.3 148.2 -87.3 144.5 6.1 56.1 7.5 53 71 E D S S+ 0 0 13 1,-0.3 2,-1.0 4,-0.3 -1,-0.2 0.293 78.2 39.8-129.5 -78.0 9.6 55.2 6.3 54 72 E N S > S- 0 0 27 81,-0.2 3,-0.9 1,-0.2 -1,-0.3 -0.697 72.9-163.4 -79.0 109.1 10.4 57.2 3.2 55 73 E I T 3 S+ 0 0 21 79,-2.8 -1,-0.2 -2,-1.0 80,-0.1 0.582 84.9 50.2 -68.5 -14.6 8.8 60.6 4.1 56 74 E N T 3 S+ 0 0 111 78,-0.2 2,-0.4 1,-0.1 -1,-0.2 0.510 107.3 55.1-104.2 -6.5 8.9 61.7 0.5 57 75 E V S < S- 0 0 80 -3,-0.9 2,-0.7 77,-0.2 -4,-0.3 -0.983 78.7-120.7-134.9 139.8 7.3 58.7 -1.2 58 76 E V + 0 0 117 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.0 -0.666 34.7 171.5 -76.2 113.5 4.0 56.8 -0.8 59 77 E E - 0 0 98 -2,-0.7 -1,-0.2 -5,-0.2 -7,-0.0 0.537 50.9-102.2-102.7 -10.5 5.1 53.2 0.1 60 78 E G S S+ 0 0 60 0, 0.0 -2,-0.1 0, 0.0 -8,-0.1 0.306 103.6 76.8 111.2 -11.2 1.8 51.6 1.0 61 79 E N + 0 0 70 -10,-0.3 2,-0.1 39,-0.0 -3,-0.0 0.273 66.5 123.4-115.4 12.9 1.7 51.4 4.8 62 80 E E - 0 0 36 -13,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.389 39.5-168.2 -79.9 150.2 0.9 55.1 5.5 63 81 E Q E -O 50 0C 43 -13,-2.0 -13,-3.1 -2,-0.1 2,-0.6 -0.986 7.1-163.4-135.5 115.1 -2.0 56.4 7.5 64 82 E F E +O 49 0C 83 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.941 17.5 170.0-104.3 113.6 -2.5 60.2 7.2 65 83 E I E -O 48 0C 12 -17,-2.8 -17,-3.1 -2,-0.6 -2,-0.1 -0.987 28.2-128.3-131.2 127.0 -4.7 61.5 10.0 66 84 E S E -O 47 0C 57 -2,-0.4 25,-3.0 -19,-0.3 2,-0.3 -0.328 28.9-108.0 -70.2 150.8 -5.4 65.1 10.9 67 85 E A E -P 90 0C 28 -21,-2.6 23,-0.2 23,-0.2 3,-0.1 -0.635 28.1-173.8 -77.9 131.7 -5.0 66.4 14.5 68 86 E S E S+ 0 0 55 21,-2.6 2,-0.3 1,-0.3 22,-0.2 0.619 74.3 14.7 -97.6 -20.4 -8.4 67.0 16.1 69 87 E K E -P 89 0C 80 20,-1.1 20,-2.2 155,-0.0 2,-0.4 -0.986 56.5-165.6-153.6 146.4 -6.8 68.5 19.2 70 88 E S E -P 88 0C 43 -2,-0.3 2,-0.8 18,-0.2 18,-0.2 -0.869 11.9-170.5-138.1 98.7 -3.4 69.8 20.2 71 89 E I E -P 87 0C 38 16,-3.1 16,-2.5 -2,-0.4 2,-0.2 -0.821 5.0-162.0 -98.7 104.2 -3.0 70.3 24.0 72 90 E V E -P 86 0C 46 -2,-0.8 14,-0.2 14,-0.2 12,-0.1 -0.597 40.8 -90.1 -79.7 141.3 0.2 72.1 24.9 73 91 E H > - 0 0 22 12,-2.4 3,-2.2 10,-0.3 -1,-0.1 -0.290 34.2-128.7 -53.3 131.3 1.2 71.7 28.6 74 92 E P T 3 S+ 0 0 102 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.715 107.7 47.5 -56.9 -20.2 -0.4 74.6 30.6 75 93 E S T 3 S+ 0 0 73 8,-0.1 2,-0.1 2,-0.1 -2,-0.1 0.210 77.9 138.5-107.0 14.3 2.9 75.4 32.1 76 94 E Y < - 0 0 51 -3,-2.2 2,-0.5 9,-0.1 7,-0.2 -0.389 37.0-160.1 -62.0 132.0 5.0 75.4 28.9 77 95 E N > - 0 0 66 5,-2.1 4,-2.3 1,-0.1 5,-0.3 -0.967 9.2-161.2-118.5 113.0 7.4 78.3 28.9 78 96 E S T 4 S+ 0 0 59 -2,-0.5 186,-0.3 1,-0.2 -1,-0.1 0.625 89.9 50.6 -68.7 -14.2 8.7 79.3 25.4 79 97 E N T 4 S+ 0 0 103 184,-0.1 -1,-0.2 3,-0.1 184,-0.0 0.902 123.8 24.8 -88.0 -50.2 11.7 81.2 26.8 80 98 E T T 4 S- 0 0 71 2,-0.1 -2,-0.2 77,-0.0 78,-0.1 0.656 96.7-134.0 -87.3 -19.5 13.1 78.5 29.2 81 99 E L >< + 0 0 7 -4,-2.3 3,-0.6 1,-0.3 -3,-0.2 0.583 48.8 157.5 73.3 14.9 11.6 75.6 27.3 82 100 E N T 3 + 0 0 36 -5,-0.3 -5,-2.1 1,-0.2 -1,-0.3 -0.450 62.0 19.0 -71.7 141.3 10.3 74.1 30.6 83 101 E N T 3 S+ 0 0 18 -7,-0.2 2,-2.0 1,-0.2 -10,-0.3 0.907 77.2 177.7 63.9 46.2 7.4 71.7 30.2 84 102 E D < + 0 0 1 -3,-0.6 2,-0.3 76,-0.2 -1,-0.2 -0.489 33.8 115.8 -81.8 72.0 8.1 71.1 26.5 85 103 E I - 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