==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CONTRACTILE PROTEIN 14-DEC-09 2KRA . COMPND 2 MOLECULE: PROKINETICIN BV8; . SOURCE 2 ORGANISM_SCIENTIFIC: BOMBINA VARIEGATA; . AUTHOR N.L.DALY,D.J.CRAIK,M.MOBLI . 77 1 5 5 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4772.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 31 40.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 2.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 13.0 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 . 2 2.6 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 . 6 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 7 9.1 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+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 . 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 . 0 2 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 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 1 A A 0 0 148 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 149.8 -23.4 8.1 0.1 2 2 A V - 0 0 124 2,-0.0 2,-0.7 1,-0.0 0, 0.0 -0.713 360.0-137.6 -89.0 133.6 -19.9 9.3 0.9 3 3 A I + 0 0 114 -2,-0.4 3,-0.1 1,-0.1 -1,-0.0 -0.822 45.1 141.4 -94.7 115.1 -17.0 7.4 -0.6 4 4 A T S S+ 0 0 76 -2,-0.7 2,-0.1 1,-0.4 -1,-0.1 0.006 71.4 7.4-140.2 26.5 -14.1 6.9 1.9 5 5 A G - 0 0 36 23,-0.1 -1,-0.4 1,-0.1 25,-0.3 -0.443 43.0-160.9 156.2 128.2 -13.0 3.4 1.1 6 6 A A S S- 0 0 67 23,-1.2 2,-0.2 -2,-0.1 24,-0.2 0.775 81.1 -19.0 -90.6 -33.7 -13.7 0.7 -1.4 7 7 A a - 0 0 20 22,-1.8 -1,-0.1 13,-0.1 3,-0.1 -0.788 43.0-143.7-152.0-165.0 -12.4 -2.2 0.8 8 8 A D S S+ 0 0 69 1,-0.4 2,-0.5 -2,-0.2 11,-0.2 0.435 84.4 56.6-141.7 -40.5 -10.1 -3.0 3.7 9 9 A K S > S- 0 0 66 1,-0.1 3,-2.5 9,-0.1 4,-0.4 -0.893 72.8-139.6-105.6 128.4 -8.5 -6.3 2.8 10 10 A D G > S+ 0 0 12 -2,-0.5 3,-1.3 1,-0.3 7,-0.1 0.747 99.7 77.0 -54.8 -24.6 -6.4 -6.4 -0.4 11 11 A V G 3 S+ 0 0 109 1,-0.3 -1,-0.3 39,-0.2 4,-0.1 0.796 87.0 59.5 -55.5 -31.4 -8.0 -9.9 -0.8 12 12 A Q G < S+ 0 0 126 -3,-2.5 -1,-0.3 2,-0.1 -2,-0.2 0.790 115.5 33.3 -69.3 -29.6 -11.2 -8.0 -1.9 13 13 A b S < S- 0 0 32 -3,-1.3 2,-0.3 -4,-0.4 5,-0.1 0.552 100.8 -93.9 -93.5-119.1 -9.3 -6.4 -4.8 14 14 A G > - 0 0 34 3,-0.4 3,-2.5 0, 0.0 2,-0.1 -0.982 43.4 -67.6-165.0 157.8 -6.4 -8.1 -6.7 15 15 A S T 3 S+ 0 0 96 -2,-0.3 3,-0.1 1,-0.3 47,-0.1 -0.297 119.9 38.9 -53.4 117.3 -2.6 -8.4 -6.8 16 16 A G T 3 S+ 0 0 24 1,-0.3 18,-2.6 45,-0.1 2,-0.4 0.045 107.5 68.6 127.2 -24.0 -1.4 -5.0 -7.8 17 17 A T E < -A 33 0A 39 -3,-2.5 -3,-0.4 16,-0.3 2,-0.3 -0.969 61.9-160.7-128.3 142.1 -3.8 -2.9 -5.8 18 18 A c E -A 32 0A 2 14,-3.3 14,-2.2 -2,-0.4 2,-0.1 -0.880 25.3-128.0-123.1 154.5 -4.0 -2.5 -2.1 19 19 A a + 0 0 2 -2,-0.3 12,-0.1 12,-0.2 -12,-0.1 -0.144 69.1 121.1 -91.5 38.6 -6.8 -1.2 0.2 20 20 A A S S- 0 0 12 10,-0.2 2,-0.3 12,-0.2 12,-0.2 -0.180 72.4 -79.1 -88.7-173.0 -4.6 1.3 2.0 21 21 A A - 0 0 8 35,-2.0 8,-0.2 8,-0.2 5,-0.2 -0.695 49.6-107.3 -90.3 140.6 -5.0 5.1 2.2 22 22 A S - 0 0 1 6,-1.7 6,-0.2 3,-0.9 36,-0.1 -0.381 21.5-124.6 -67.7 144.5 -3.9 7.2 -0.8 23 23 A A S S+ 0 0 65 1,-0.2 3,-0.1 3,-0.1 -1,-0.1 0.756 111.6 46.6 -59.1 -27.1 -0.7 9.2 -0.3 24 24 A W S S+ 0 0 176 1,-0.3 2,-0.3 4,-0.0 -1,-0.2 0.812 126.2 15.6 -87.6 -32.2 -2.6 12.4 -1.2 25 25 A S > - 0 0 47 3,-0.1 3,-1.7 -3,-0.1 -3,-0.9 -0.949 54.2-148.2-149.9 127.4 -5.6 11.8 1.0 26 26 A R T 3 S+ 0 0 151 -2,-0.3 -3,-0.1 1,-0.3 -1,-0.0 0.394 96.3 75.4 -69.9 5.3 -6.3 9.5 4.0 27 27 A N T 3 S+ 0 0 74 -5,-0.1 2,-0.6 -6,-0.0 -1,-0.3 0.710 78.0 82.7 -88.6 -24.7 -9.9 9.5 2.7 28 28 A I < + 0 0 19 -3,-1.7 -6,-1.7 -6,-0.2 -3,-0.1 -0.736 41.3 153.3 -87.4 122.9 -9.1 7.2 -0.2 29 29 A R + 0 0 65 -2,-0.6 -22,-1.8 -8,-0.2 -23,-1.2 -0.284 33.6 120.7-140.6 46.1 -9.1 3.5 0.7 30 30 A F S S- 0 0 62 -25,-0.3 2,-2.3 -24,-0.2 -10,-0.2 -0.327 84.8 -61.6 -98.5-172.9 -10.0 1.9 -2.5 31 31 A b S S+ 0 0 56 -12,-0.1 -12,-0.2 -2,-0.1 -1,-0.1 -0.475 70.7 178.9 -71.7 78.8 -8.0 -0.6 -4.6 32 32 A I E -A 18 0A 19 -2,-2.3 -14,-3.3 -14,-2.2 -12,-0.2 -0.639 31.5 -97.2 -88.8 142.7 -5.1 1.8 -5.2 33 33 A P E -A 17 0A 100 0, 0.0 26,-0.4 0, 0.0 -16,-0.3 -0.156 35.9-120.8 -58.8 150.3 -2.1 0.6 -7.2 34 34 A L - 0 0 9 -18,-2.6 27,-0.2 1,-0.1 2,-0.1 -0.375 37.8 -80.0 -87.1 167.3 1.1 -0.7 -5.6 35 35 A G B -b 61 0B 9 25,-2.5 27,-2.6 24,-0.4 30,-0.1 -0.419 45.5-155.4 -71.0 141.2 4.6 0.7 -5.9 36 36 A N > - 0 0 80 1,-0.2 3,-2.2 25,-0.2 40,-0.4 -0.238 44.1 -42.5-102.5-168.1 6.7 -0.2 -9.0 37 37 A S T 3 S+ 0 0 89 1,-0.3 40,-0.2 -2,-0.1 -1,-0.2 -0.403 131.5 12.4 -62.2 125.6 10.4 -0.3 -9.7 38 38 A G T 3 S+ 0 0 52 38,-3.4 -1,-0.3 1,-0.3 2,-0.2 0.450 99.7 131.3 86.2 1.7 12.2 2.6 -8.2 39 39 A E < - 0 0 107 -3,-2.2 37,-3.1 37,-0.3 -1,-0.3 -0.587 64.1-104.3 -88.9 150.4 9.1 3.5 -6.1 40 40 A D E -C 75 0C 32 35,-0.3 2,-0.3 -2,-0.2 35,-0.3 -0.480 41.2-175.8 -73.6 139.4 9.2 4.2 -2.4 41 41 A d E -C 74 0C 1 33,-3.2 33,-0.5 -2,-0.2 18,-0.1 -0.984 27.5-118.1-138.4 148.4 7.9 1.4 -0.1 42 42 A H > - 0 0 72 -2,-0.3 3,-1.4 16,-0.2 19,-0.1 -0.769 13.5-150.5 -89.2 122.6 7.4 1.1 3.6 43 43 A P T 3 S+ 0 0 80 0, 0.0 -1,-0.1 0, 0.0 24,-0.1 0.810 98.9 58.9 -58.8 -31.6 9.5 -1.7 5.2 44 44 A A T 3 S+ 0 0 44 2,-0.1 2,-0.4 -3,-0.1 -2,-0.0 0.712 87.9 91.0 -70.8 -22.3 6.8 -2.2 7.8 45 45 A S S < S- 0 0 18 -3,-1.4 16,-0.2 14,-0.1 2,-0.1 -0.646 71.7-145.8 -79.9 125.8 4.3 -2.9 5.0 46 46 A H - 0 0 84 -2,-0.4 4,-0.1 1,-0.2 -4,-0.1 -0.375 34.3 -71.0 -86.4 168.9 4.1 -6.6 4.2 47 47 A K S S- 0 0 122 1,-0.1 4,-0.3 -2,-0.1 -1,-0.2 -0.202 74.0 -67.0 -57.8 149.0 3.4 -8.2 0.8 48 48 A V S S+ 0 0 15 13,-0.5 2,-0.1 2,-0.1 -1,-0.1 -0.681 123.8 50.2 -87.7 136.7 -0.1 -7.8 -0.7 49 49 A P S S- 0 0 56 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.395 101.9-132.2 -69.3 137.0 -2.5 -9.0 0.4 50 50 A Y - 0 0 41 1,-0.1 2,-2.1 -2,-0.1 -40,-0.2 -0.402 7.3-131.1 -63.7 128.0 -1.3 -7.5 3.7 51 51 A D S S- 0 0 89 -4,-0.3 2,-0.3 -2,-0.2 -1,-0.1 -0.349 80.3 -7.5 -78.2 58.0 -1.4 -10.1 6.5 52 52 A G S S- 0 0 33 -2,-2.1 2,-0.4 2,-0.1 -2,-0.1 -0.979 96.3 -49.7 158.9-143.1 -3.2 -7.8 8.9 53 53 A K + 0 0 170 -2,-0.3 2,-0.3 -44,-0.1 -44,-0.1 -0.998 46.0 162.3-136.2 136.7 -4.3 -4.2 9.2 54 54 A R - 0 0 113 -2,-0.4 2,-1.1 2,-0.1 -4,-0.1 -0.914 33.2-145.8-157.8 126.6 -2.4 -1.0 8.7 55 55 A L + 0 0 161 -2,-0.3 2,-0.3 -35,-0.1 -35,-0.1 -0.319 48.0 150.2 -89.1 52.9 -3.4 2.6 8.1 56 56 A S - 0 0 24 -2,-1.1 -35,-2.0 1,-0.1 -2,-0.1 -0.680 47.4-143.5 -88.8 138.6 -0.5 3.4 5.8 57 57 A S S S+ 0 0 35 -2,-0.3 2,-0.3 -37,-0.2 -1,-0.1 -0.040 81.1 67.7 -89.9 32.3 -0.9 6.0 3.1 58 58 A L S S- 0 0 48 -36,-0.1 -16,-0.2 -35,-0.1 -37,-0.1 -0.925 76.3-130.8-154.6 127.8 1.2 3.9 0.7 59 59 A c - 0 0 4 -26,-0.4 -24,-0.4 -2,-0.3 3,-0.1 -0.481 32.7-117.8 -75.0 145.0 0.7 0.6 -1.0 60 60 A P - 0 0 13 0, 0.0 -25,-2.5 0, 0.0 2,-0.2 0.143 53.0 -52.2 -67.6-168.3 3.7 -1.9 -0.7 61 61 A e B -b 35 0B 14 -27,-0.2 -13,-0.5 -16,-0.2 -25,-0.2 -0.464 64.0-106.3 -72.2 140.5 5.7 -3.3 -3.7 62 62 A K > - 0 0 75 -27,-2.6 3,-2.5 1,-0.2 -1,-0.1 -0.247 54.3 -71.6 -64.0 152.9 3.7 -4.8 -6.5 63 63 A S T 3 S+ 0 0 62 1,-0.3 -1,-0.2 3,-0.0 3,-0.1 -0.204 124.3 25.1 -49.3 123.9 3.7 -8.6 -6.9 64 64 A G T 3 S+ 0 0 80 1,-0.4 -1,-0.3 -3,-0.1 2,-0.2 -0.070 101.6 99.8 110.1 -32.4 7.1 -9.7 -8.1 65 65 A L < - 0 0 36 -3,-2.5 2,-0.4 -30,-0.1 -1,-0.4 -0.583 63.8-137.2 -89.8 151.4 9.1 -6.7 -6.8 66 66 A T - 0 0 95 -2,-0.2 11,-2.3 -3,-0.1 2,-0.6 -0.906 9.7-135.2-111.6 134.4 11.1 -6.6 -3.6 67 67 A d E +D 76 0C 40 -2,-0.4 2,-0.3 9,-0.2 9,-0.2 -0.764 42.3 147.8 -88.5 120.1 11.1 -3.8 -1.0 68 68 A S E -D 75 0C 64 7,-2.4 7,-3.5 -2,-0.6 2,-0.4 -0.987 57.1 -80.2-150.4 155.9 14.6 -2.9 0.1 69 69 A K E +D 74 0C 133 -2,-0.3 5,-0.3 5,-0.3 -2,-0.0 -0.425 47.5 169.8 -61.6 114.4 16.6 0.1 1.2 70 70 A S - 0 0 53 3,-2.0 2,-0.4 -2,-0.4 -1,-0.1 -0.372 67.6 -38.9-123.7 50.2 17.5 1.9 -1.9 71 71 A G S S- 0 0 56 1,-0.1 -2,-0.1 2,-0.1 3,-0.1 -0.925 125.8 -4.5 139.1-112.3 18.9 5.1 -0.6 72 72 A E S S+ 0 0 121 -2,-0.4 2,-0.2 2,-0.0 -1,-0.1 0.821 133.3 2.8 -86.7 -37.6 17.4 7.0 2.3 73 73 A K S S- 0 0 93 -3,-0.1 -3,-2.0 -5,-0.1 2,-0.3 -0.559 98.7 -60.4-131.3-165.0 14.4 4.6 2.7 74 74 A F E +CD 41 69C 67 -33,-0.5 -33,-3.2 -5,-0.3 2,-0.3 -0.683 50.0 179.4 -89.7 139.5 13.1 1.4 1.2 75 75 A K E -CD 40 68C 37 -7,-3.5 -7,-2.4 -2,-0.3 2,-0.3 -0.950 32.1 -99.6-137.9 154.9 12.2 1.3 -2.5 76 76 A e E D 0 67C 0 -37,-3.1 -38,-3.4 -40,-0.4 -37,-0.3 -0.589 360.0 360.0 -78.9 134.4 10.8 -1.4 -4.8 77 77 A S 0 0 94 -11,-2.3 -10,-0.2 -2,-0.3 -1,-0.2 0.316 360.0 360.0-153.8 360.0 13.3 -3.2 -7.0