==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER UNKNOWN FUNCTION 01-MAY-03 1UDK . COMPND 2 MOLECULE: NAWAPRIN; . SOURCE 2 ORGANISM_SCIENTIFIC: NAJA NIGRICOLLIS; . AUTHOR A.M.TORRES,H.Y.WONG,M.DESAI,S.MOOCHHALA,P.W.KUCHEL,R.M.KINI . 51 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 3926.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 21 41.2 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 . 6 11.8 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 . 0 0.0 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 . 1 2.0 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 . 7 13.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 4 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 1 2.0 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 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 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 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 1 A N 0 0 188 0, 0.0 25,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 144.3 2.5 -10.1 -10.2 2 2 A E - 0 0 150 1,-0.0 4,-0.1 0, 0.0 33,-0.0 0.874 360.0-170.3 61.2 107.2 -0.1 -10.4 -7.4 3 3 A K - 0 0 91 2,-0.2 3,-0.1 30,-0.1 31,-0.0 0.922 67.4 -48.6 -90.0 -60.2 1.4 -11.4 -4.1 4 4 A S S S+ 0 0 106 29,-0.1 2,-0.1 1,-0.1 29,-0.0 0.433 116.1 3.4-144.9 -47.5 -1.6 -12.2 -1.9 5 5 A G S S- 0 0 10 1,-0.1 2,-0.2 0, 0.0 -2,-0.2 0.019 74.2-109.6-119.1-134.2 -4.1 -9.5 -2.1 6 6 A S B -A 50 0A 55 44,-1.7 44,-1.9 -4,-0.1 29,-0.2 -0.767 43.7 -53.8-150.0-165.9 -4.5 -6.2 -4.1 7 7 A a - 0 0 44 -2,-0.2 2,-1.5 42,-0.2 29,-0.0 -0.653 47.0-123.4 -85.9 137.7 -4.5 -2.4 -3.8 8 8 A P > - 0 0 34 0, 0.0 2,-0.6 0, 0.0 3,-0.6 -0.607 25.5-154.4 -82.9 85.8 -6.8 -0.8 -1.2 9 9 A D T 3 + 0 0 152 -2,-1.5 30,-0.0 1,-0.2 -2,-0.0 -0.465 60.7 95.1 -64.1 108.0 -8.8 1.6 -3.5 10 10 A M T 3 - 0 0 129 -2,-0.6 -1,-0.2 3,-0.1 29,-0.0 0.290 59.9-153.8-159.7 -45.8 -9.9 4.4 -1.1 11 11 A S < + 0 0 78 -3,-0.6 -2,-0.1 2,-0.1 28,-0.0 0.790 52.5 132.4 60.7 27.7 -7.5 7.3 -1.3 12 12 A M + 0 0 136 1,-0.1 2,-0.4 2,-0.0 -1,-0.0 0.980 49.8 67.2 -72.8 -60.1 -8.6 8.2 2.3 13 13 A P - 0 0 91 0, 0.0 -3,-0.1 0, 0.0 -1,-0.1 -0.493 62.8-179.8 -68.4 121.4 -5.1 8.7 3.9 14 14 A I - 0 0 127 -2,-0.4 26,-0.1 27,-0.0 27,-0.0 -0.906 21.6-141.9-128.1 103.6 -3.4 11.8 2.5 15 15 A P - 0 0 55 0, 0.0 4,-0.3 0, 0.0 25,-0.0 -0.496 14.1-172.6 -66.7 110.7 0.1 12.7 3.9 16 16 A P + 0 0 133 0, 0.0 3,-0.1 0, 0.0 24,-0.0 0.778 55.7 100.2 -74.4 -27.4 0.2 16.5 4.1 17 17 A L S S- 0 0 130 1,-0.2 2,-2.0 2,-0.0 0, 0.0 -0.135 98.3 -85.5 -57.1 155.0 3.9 16.5 5.0 18 18 A G S S+ 0 0 83 1,-0.1 2,-0.4 2,-0.0 -1,-0.2 -0.438 76.9 139.3 -67.3 85.2 6.4 17.2 2.3 19 19 A I + 0 0 82 -2,-2.0 2,-0.2 -4,-0.3 22,-0.1 -0.842 5.2 143.3-135.3 97.2 6.7 13.7 0.8 20 20 A b + 0 0 91 -2,-0.4 2,-0.3 20,-0.1 -2,-0.0 -0.598 36.0 104.1-134.6 72.8 6.8 13.4 -2.9 21 21 A K - 0 0 155 -2,-0.2 22,-0.1 22,-0.0 21,-0.1 -0.859 56.3-136.8-156.9 116.8 9.2 10.5 -3.9 22 22 A T + 0 0 55 -2,-0.3 23,-0.2 1,-0.1 3,-0.1 0.152 20.6 174.5 -58.4-175.9 8.3 7.0 -5.1 23 23 A L + 0 0 107 21,-1.6 2,-0.2 1,-0.6 22,-0.2 0.281 56.5 53.0-160.8 -46.2 10.2 3.9 -3.8 24 24 A c - 0 0 7 20,-2.3 -1,-0.6 13,-0.1 20,-0.2 -0.651 50.7-160.0-104.3 162.2 8.6 0.7 -5.1 25 25 A N S S- 0 0 130 1,-0.4 2,-0.3 -2,-0.2 -1,-0.1 0.518 71.6 -30.2-114.3 -14.1 7.9 -0.3 -8.7 26 26 A S S >> S- 0 0 54 1,-0.1 4,-1.7 18,-0.1 3,-0.8 -0.976 81.5 -62.1 178.2-177.8 5.3 -3.0 -8.0 27 27 A D G >4 S+ 0 0 19 1,-0.3 3,-0.6 -2,-0.3 -1,-0.1 0.932 133.2 46.5 -51.2 -52.6 4.1 -5.7 -5.5 28 28 A S G 34 S+ 0 0 104 1,-0.2 -1,-0.3 -3,-0.1 7,-0.0 0.706 107.7 61.5 -64.6 -19.1 7.3 -7.6 -5.8 29 29 A G G <4 S+ 0 0 45 -3,-0.8 -1,-0.2 2,-0.1 -2,-0.2 0.852 89.7 79.6 -76.0 -35.4 9.1 -4.3 -5.4 30 30 A d S << S- 0 0 3 -4,-1.7 6,-0.1 -3,-0.6 15,-0.0 -0.441 80.0-126.5 -74.7 145.7 7.7 -3.7 -1.9 31 31 A P S > S+ 0 0 72 0, 0.0 3,-2.4 0, 0.0 2,-1.0 -0.119 74.9 10.2 -82.9-176.5 9.3 -5.4 1.0 32 32 A N T 3 S- 0 0 150 1,-0.3 -2,-0.0 -2,-0.0 0, 0.0 -0.239 130.3 -47.9 49.4 -90.0 7.8 -7.6 3.8 33 33 A V T 3 S+ 0 0 71 -2,-1.0 2,-0.3 14,-0.1 -1,-0.3 0.089 94.2 135.5-162.8 27.6 4.3 -8.0 2.2 34 34 A Q < - 0 0 71 -3,-2.4 -4,-0.2 14,-0.1 2,-0.2 -0.632 48.5-128.3 -88.3 144.1 3.2 -4.5 1.2 35 35 A K E -B 47 0B 5 12,-1.7 12,-2.1 -2,-0.3 2,-0.8 -0.600 17.1-123.2 -89.8 150.8 1.6 -3.8 -2.1 36 36 A c E +B 46 0B 23 -2,-0.2 -9,-0.2 10,-0.2 10,-0.2 -0.823 52.3 137.9 -99.6 104.3 2.9 -1.1 -4.5 37 37 A a E -B 45 0B 31 8,-1.8 8,-1.9 -2,-0.8 2,-0.7 -0.685 57.7 -96.3-131.6-175.1 0.2 1.4 -5.3 38 38 A K + 0 0 125 -2,-0.2 6,-0.1 6,-0.2 -2,-0.0 -0.829 61.5 130.9-112.9 92.9 -0.4 5.1 -5.6 39 39 A N + 0 0 34 -2,-0.7 2,-0.1 4,-0.2 -1,-0.1 -0.404 64.5 34.7-138.8 59.0 -1.8 6.6 -2.4 40 40 A G S S- 0 0 30 3,-0.2 -20,-0.1 -26,-0.1 -2,-0.1 -0.316 121.1 -7.3-163.3-109.2 0.2 9.6 -1.6 41 41 A b S S- 0 0 60 -22,-0.1 3,-0.1 -2,-0.1 -19,-0.1 0.035 109.3 -80.2 -98.6 25.5 1.9 12.3 -3.7 42 42 A G S S+ 0 0 51 1,-0.3 2,-0.2 -21,-0.1 -20,-0.1 0.760 99.3 115.3 83.8 26.2 1.1 10.5 -6.9 43 43 A F S S- 0 0 25 -22,-0.1 2,-0.9 -6,-0.1 -1,-0.3 -0.547 75.6 -93.4-116.7-176.4 4.0 8.0 -6.6 44 44 A M + 0 0 85 -2,-0.2 -20,-2.3 -20,-0.2 -21,-1.6 -0.821 58.4 153.9-104.8 95.1 4.5 4.3 -6.2 45 45 A T E -B 37 0B 31 -8,-1.9 -8,-1.8 -2,-0.9 2,-0.3 -0.583 45.6 -88.5-113.4 177.0 4.8 3.6 -2.5 46 46 A d E +B 36 0B 23 -10,-0.2 2,-0.3 -2,-0.2 -10,-0.2 -0.662 46.6 169.8 -90.2 142.7 4.1 0.6 -0.2 47 47 A T E -B 35 0B 29 -12,-2.1 -12,-1.7 -2,-0.3 -14,-0.1 -0.836 40.8 -73.1-140.4 176.9 0.6 0.1 1.4 48 48 A T - 0 0 106 -2,-0.3 2,-0.2 -14,-0.2 -14,-0.1 -0.587 51.2-114.9 -78.6 133.9 -1.4 -2.5 3.3 49 49 A P - 0 0 45 0, 0.0 -42,-0.2 0, 0.0 -1,-0.1 -0.502 28.2-151.7 -71.5 130.6 -2.6 -5.6 1.2 50 50 A V B A 6 0A 46 -44,-1.9 -44,-1.7 -2,-0.2 -46,-0.1 -0.867 360.0 360.0-106.9 136.5 -6.4 -5.8 0.9 51 51 A P 0 0 169 0, 0.0 -1,-0.1 0, 0.0 -44,-0.1 0.388 360.0 360.0 -70.7 360.0 -8.2 -9.1 0.4