==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER INHIBITOR 08-MAR-07 2UUX . COMPND 2 MOLECULE: TRYPTASE INHIBITOR; . SOURCE 2 ORGANISM_SCIENTIFIC: RHIPICEPHALUS APPENDICULATUS; . AUTHOR C.SIEBOLD,G.C.PAESEN,K.HARLOS,M.F.PEACEY,P.A.NUTTALL, . 55 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4246.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 25 45.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 9 16.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 1.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 9 16.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 3 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 3 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 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 . 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 0 PARALLEL BRIDGES PER LADDER . 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 21 A A 0 0 151 0, 0.0 2,-0.7 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 103.0 26.7 7.2 8.6 2 22 A A + 0 0 112 2,-0.0 2,-0.2 0, 0.0 0, 0.0 -0.909 360.0 140.8-101.5 103.3 27.8 4.1 10.5 3 23 A E - 0 0 135 -2,-0.7 2,-0.6 28,-0.0 30,-0.1 -0.644 57.9 -88.6-125.3-176.6 30.0 5.4 13.4 4 24 A a - 0 0 11 -2,-0.2 2,-0.4 28,-0.1 30,-0.1 -0.892 38.6-159.8-102.7 116.2 30.4 4.4 17.0 5 25 A T - 0 0 93 -2,-0.6 26,-0.1 23,-0.1 28,-0.0 -0.806 26.1-114.1 -95.6 132.7 28.0 6.2 19.4 6 26 A V - 0 0 29 -2,-0.4 3,-0.1 1,-0.1 6,-0.1 -0.474 44.8-128.2 -62.5 121.3 28.8 6.4 23.1 7 27 A P > - 0 0 41 0, 0.0 3,-1.9 0, 0.0 2,-0.1 -0.238 28.3 -75.6 -74.0 167.2 26.1 4.3 24.7 8 28 A I T 3 S+ 0 0 170 1,-0.3 3,-0.1 3,-0.0 0, 0.0 -0.384 122.5 21.4 -48.5 128.8 23.7 5.0 27.6 9 29 A G T 3 S+ 0 0 79 1,-0.3 2,-0.3 -3,-0.1 -1,-0.3 0.481 104.2 107.8 83.9 6.6 25.7 4.8 30.8 10 30 A W < - 0 0 129 -3,-1.9 -1,-0.3 18,-0.1 2,-0.3 -0.802 55.0-143.7-117.6 157.8 29.1 5.4 29.2 11 31 A S - 0 0 98 -2,-0.3 3,-0.1 -3,-0.1 -3,-0.0 -0.832 18.7-109.2-119.0 154.7 31.2 8.5 29.2 12 32 A E - 0 0 109 -2,-0.3 2,-0.0 1,-0.1 -1,-0.0 -0.477 52.2 -94.1 -66.6 150.3 33.5 10.3 26.9 13 33 A P - 0 0 24 0, 0.0 2,-0.8 0, 0.0 -1,-0.1 -0.355 38.5-115.5 -64.4 152.1 37.2 10.0 27.8 14 34 A V - 0 0 139 26,-0.1 26,-0.3 -3,-0.1 2,-0.0 -0.804 30.7-132.4 -93.0 113.7 38.6 12.8 30.0 15 35 A K - 0 0 126 -2,-0.8 24,-0.2 24,-0.1 2,-0.2 -0.332 17.0-130.9 -67.2 140.5 41.2 14.6 28.0 16 36 A G - 0 0 34 22,-3.2 22,-0.4 1,-0.1 -1,-0.1 -0.494 12.3-125.4 -83.0 164.8 44.4 15.4 29.8 17 37 A L + 0 0 183 -2,-0.2 2,-0.2 2,-0.0 -1,-0.1 -0.188 66.9 127.4 -99.4 33.4 46.1 18.8 29.8 18 38 A b - 0 0 61 20,-0.2 20,-0.2 2,-0.1 -2,-0.0 -0.622 66.9-124.5 -87.5 160.5 49.4 17.4 28.4 19 39 A K S S+ 0 0 219 -2,-0.2 2,-0.3 18,-0.1 -1,-0.1 -0.014 80.9 95.7 -94.2 27.3 51.1 19.0 25.3 20 40 A A - 0 0 44 2,-0.0 2,-0.5 0, 0.0 -2,-0.1 -0.841 64.8-141.0-114.0 153.3 51.3 15.7 23.5 21 41 A R + 0 0 189 -2,-0.3 2,-0.3 17,-0.1 17,-0.2 -0.974 24.4 173.3-119.4 118.2 48.9 14.2 20.9 22 42 A F E -A 37 0A 103 15,-2.9 15,-2.0 -2,-0.5 2,-0.5 -0.871 28.1-133.4-113.8 156.9 48.1 10.5 21.0 23 43 A T E +A 36 0A 60 -2,-0.3 2,-0.3 13,-0.2 13,-0.2 -0.969 32.2 179.4-109.8 119.5 45.6 8.5 19.0 24 44 A R E -A 35 0A 52 11,-2.7 11,-2.6 -2,-0.5 2,-0.5 -0.935 20.9-149.3-123.4 150.4 43.6 6.2 21.3 25 45 A Y E -AB 34 43A 53 18,-2.6 18,-2.9 -2,-0.3 2,-0.4 -0.970 17.1-165.8-123.4 117.8 40.8 3.7 20.5 26 46 A Y E -A 33 0A 29 7,-2.8 7,-2.3 -2,-0.5 2,-1.0 -0.919 22.2-126.7-110.4 136.3 38.3 3.1 23.2 27 47 A c E -A 32 0A 30 -2,-0.4 2,-1.3 5,-0.2 5,-0.2 -0.693 22.0-167.7 -80.0 108.3 35.7 0.3 23.5 28 48 A M - 0 0 7 3,-3.1 2,-2.2 -2,-1.0 -1,-0.1 -0.569 61.1 -74.5 -96.2 67.3 32.4 2.0 23.9 29 49 A G S S+ 0 0 23 -2,-1.3 3,-0.1 1,-0.2 -2,-0.1 -0.391 123.3 4.8 78.4 -64.4 30.4 -1.0 24.9 30 50 A N S S+ 0 0 105 -2,-2.2 2,-0.3 1,-0.2 -1,-0.2 0.223 126.4 44.2-139.1 13.9 30.1 -2.5 21.4 31 51 A a S S- 0 0 33 -3,-0.1 -3,-3.1 -26,-0.1 2,-0.4 -0.986 74.6-113.9-156.7 154.9 32.3 -0.4 19.1 32 52 A d E -A 27 0A 29 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.760 27.4-164.9 -93.6 134.0 35.6 1.2 19.1 33 53 A K E -A 26 0A 43 -7,-2.3 -7,-2.8 -2,-0.4 2,-0.4 -0.968 11.9-137.2-124.9 134.5 35.8 5.0 19.0 34 54 A V E -A 25 0A 82 -2,-0.4 2,-0.4 -9,-0.2 -9,-0.2 -0.725 19.7-178.8 -99.4 137.2 38.9 7.0 18.1 35 55 A Y E -A 24 0A 27 -11,-2.6 -11,-2.7 -2,-0.4 2,-0.4 -0.996 9.9-159.1-133.5 139.8 40.1 10.1 20.0 36 56 A E E +A 23 0A 123 -2,-0.4 2,-0.3 -13,-0.2 -13,-0.2 -0.979 52.0 57.5-123.2 133.7 43.2 12.3 19.3 37 57 A G E S-A 22 0A 9 -15,-2.0 -15,-2.9 -2,-0.4 2,-2.4 -0.956 106.8 -22.1 146.4-161.5 44.7 14.6 21.9 38 58 A b S S+ 0 0 20 -22,-0.4 -22,-3.2 -2,-0.3 2,-0.4 -0.468 89.4 146.5 -80.4 72.5 46.2 14.2 25.3 39 59 A Y + 0 0 28 -2,-2.4 2,-0.3 -24,-0.2 -2,-0.1 -0.905 24.8 176.7-114.2 140.9 44.4 10.9 25.9 40 60 A T + 0 0 123 -2,-0.4 -26,-0.1 -26,-0.3 3,-0.1 -0.788 45.9 53.8-130.5 174.9 45.4 7.9 27.8 41 61 A G S S+ 0 0 36 -2,-0.3 -16,-0.2 1,-0.2 -2,-0.0 -0.295 78.2 62.2 81.0 176.3 43.5 4.7 28.5 42 62 A G S S- 0 0 36 -18,-0.1 2,-0.3 -2,-0.1 -16,-0.2 -0.290 98.2 -47.2 59.9-151.7 41.9 2.6 25.8 43 63 A Y B -B 25 0A 78 -18,-2.9 -18,-2.6 -3,-0.1 3,-0.0 -0.844 30.9-137.1-119.2 154.6 44.1 1.0 23.3 44 64 A S S S+ 0 0 60 -2,-0.3 2,-0.3 -20,-0.2 -21,-0.1 0.656 88.0 42.4 -83.1 -17.7 46.9 2.2 21.0 45 65 A R S > S- 0 0 128 -20,-0.1 4,-1.9 1,-0.1 5,-0.2 -0.974 73.8-129.0-133.8 148.9 45.8 0.4 17.9 46 66 A M H > S+ 0 0 80 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.895 108.9 54.5 -58.0 -44.2 42.5 -0.2 16.2 47 67 A G H > S+ 0 0 25 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.883 106.4 51.1 -60.5 -41.3 43.1 -3.9 16.0 48 68 A E H 4 S+ 0 0 57 2,-0.2 4,-0.4 1,-0.2 -1,-0.2 0.920 112.9 45.8 -62.7 -43.9 43.7 -4.2 19.7 49 69 A d H >< S+ 0 0 0 -4,-1.9 3,-1.7 1,-0.2 -2,-0.2 0.954 111.2 52.4 -64.6 -44.1 40.4 -2.4 20.5 50 70 A A H >< S+ 0 0 55 -4,-2.8 3,-0.9 1,-0.3 -1,-0.2 0.824 107.1 52.8 -60.3 -35.6 38.5 -4.4 17.9 51 71 A R T 3< S+ 0 0 213 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.491 115.6 41.3 -75.8 -6.7 39.8 -7.7 19.5 52 72 A N T < S+ 0 0 95 -3,-1.7 -1,-0.2 -4,-0.4 -2,-0.2 -0.019 101.9 76.9-129.4 22.7 38.6 -6.5 22.9 53 73 A c S < S- 0 0 13 -3,-0.9 -23,-0.1 -23,-0.1 -21,-0.1 -0.996 93.6 -97.3-138.7 126.9 35.3 -5.0 22.0 54 74 A P 0 0 87 0, 0.0 -2,-0.1 0, 0.0 -3,-0.0 -0.239 360.0 360.0 -47.9 139.1 32.0 -7.0 21.3 55 75 A G 0 0 128 -4,-0.1 -25,-0.1 -24,-0.1 -3,-0.0 0.580 360.0 360.0 -94.5 360.0 31.9 -7.2 17.5