==== 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 MEMBRANE PROTEIN INHIBITOR 02-MAY-09 2WH9 . COMPND 2 MOLECULE: GUANGXITOXIN-1EGXTX-1E; . SOURCE 2 SYNTHETIC: YES; . AUTHOR S.K.LEE,H.H.JUNG,J.Y.LEE,C.W.LEE,J.I.KIM . 36 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 3123.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 16 44.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 5.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 16.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 2.8 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 . 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 . 7 19.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 1 2.8 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+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 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 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 1 A E 0 0 224 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -64.3 -0.2 16.7 1.0 2 2 A G + 0 0 73 1,-0.2 0, 0.0 2,-0.0 0, 0.0 -0.433 360.0 165.5 -62.2 109.9 1.1 13.6 -0.7 3 3 A E + 0 0 96 -2,-0.5 -1,-0.2 2,-0.0 3,-0.1 -0.074 21.2 147.8-116.3 31.2 -0.8 10.7 0.7 4 4 A a - 0 0 60 1,-0.1 2,-0.8 14,-0.1 14,-0.2 -0.163 58.8 -93.8 -63.2 160.8 0.2 8.1 -1.9 5 5 A G B +a 18 0A 1 12,-0.7 14,-1.4 17,-0.1 17,-0.3 -0.694 52.2 173.7 -83.1 112.0 0.6 4.4 -0.9 6 6 A G - 0 0 19 -2,-0.8 3,-0.4 12,-0.1 17,-0.2 0.372 58.5 -47.8 -89.5-136.5 4.1 3.7 0.0 7 7 A F S S+ 0 0 137 1,-0.3 26,-0.2 25,-0.1 16,-0.1 0.731 137.3 10.9 -73.1 -22.9 5.7 0.5 1.5 8 8 A W S S+ 0 0 183 24,-0.1 2,-0.5 2,-0.0 -1,-0.3 -0.487 77.7 157.2-158.2 79.2 2.9 0.3 4.1 9 9 A W E -B 31 0B 81 22,-0.8 22,-1.9 -3,-0.4 -4,-0.1 -0.933 46.5-114.4-112.6 119.8 -0.0 2.7 3.6 10 10 A K E +B 30 0B 130 -2,-0.5 20,-0.3 20,-0.3 2,-0.3 -0.266 47.3 172.7 -51.9 119.8 -3.4 1.8 5.2 11 11 A b + 0 0 15 18,-2.4 2,-0.3 4,-0.1 6,-0.1 -0.887 19.2 82.9-130.7 161.6 -5.8 1.2 2.4 12 12 A G S > S+ 0 0 55 -2,-0.3 2,-1.4 4,-0.2 3,-1.1 -0.994 82.5 7.8 150.9-142.0 -9.4 -0.1 2.2 13 13 A S T 3 S+ 0 0 137 -2,-0.3 -2,-0.0 1,-0.3 0, 0.0 -0.619 135.0 15.1 -80.0 91.6 -12.9 1.3 2.5 14 14 A G T 3 S+ 0 0 73 -2,-1.4 -1,-0.3 1,-0.4 0, 0.0 0.683 105.3 102.8 115.3 32.7 -12.3 5.0 2.8 15 15 A K < - 0 0 122 -3,-1.1 -1,-0.4 1,-0.0 -4,-0.1 -0.884 66.3-101.1-138.0 168.5 -8.7 5.3 1.6 16 16 A P - 0 0 59 0, 0.0 -4,-0.2 0, 0.0 2,-0.2 -0.265 43.4 -90.4 -84.9 174.3 -6.6 6.5 -1.4 17 17 A A - 0 0 84 1,-0.1 -12,-0.7 -6,-0.1 2,-0.1 -0.536 41.0-110.4 -86.3 153.1 -5.0 4.3 -4.1 18 18 A c B -a 5 0A 28 -14,-0.2 -12,-0.1 -2,-0.2 -1,-0.1 -0.378 41.9 -86.9 -79.3 160.2 -1.4 3.1 -3.8 19 19 A a - 0 0 26 -14,-1.4 -1,-0.1 1,-0.1 3,-0.1 -0.101 46.0 -96.5 -60.6 163.5 1.4 4.4 -6.0 20 20 A P S S+ 0 0 122 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.717 129.5 41.2 -55.1 -21.3 2.1 2.8 -9.4 21 21 A K S S+ 0 0 146 -16,-0.2 2,-0.2 12,-0.0 -15,-0.1 0.766 112.2 60.0 -96.6 -33.1 4.8 0.7 -7.7 22 22 A Y - 0 0 64 -17,-0.3 2,-0.3 11,-0.1 11,-0.2 -0.632 64.7-170.8 -97.2 156.3 2.9 -0.0 -4.5 23 23 A V E -C 32 0B 69 9,-2.9 9,-3.1 -2,-0.2 2,-0.6 -0.977 30.8-100.5-144.8 156.7 -0.4 -1.9 -4.2 24 24 A b E -C 31 0B 56 -2,-0.3 7,-0.2 7,-0.3 5,-0.1 -0.686 41.7-126.1 -82.0 115.7 -3.0 -2.7 -1.5 25 25 A S - 0 0 12 5,-2.4 5,-0.2 -2,-0.6 -14,-0.1 -0.285 6.9-138.7 -60.4 142.1 -2.5 -6.3 -0.2 26 26 A P S S+ 0 0 139 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.863 103.6 38.1 -70.6 -37.2 -5.6 -8.5 -0.4 27 27 A K S S+ 0 0 150 1,-0.2 2,-0.4 3,-0.1 -2,-0.0 0.901 124.6 37.9 -80.0 -44.7 -5.1 -10.0 3.0 28 28 A W S S- 0 0 157 2,-0.1 2,-2.2 1,-0.0 -3,-0.2 -0.912 80.5-128.9-112.9 135.9 -3.8 -6.8 4.7 29 29 A G S S+ 0 0 29 -2,-0.4 -18,-2.4 -5,-0.1 2,-0.3 -0.408 71.5 108.6 -80.0 65.7 -5.2 -3.4 4.0 30 30 A L E -B 10 0B 15 -2,-2.2 -5,-2.4 -20,-0.3 2,-0.6 -0.997 69.9-118.5-143.0 145.7 -1.9 -1.7 3.4 31 31 A c E +BC 9 24B 1 -22,-1.9 -22,-0.8 -2,-0.3 2,-0.3 -0.743 53.6 136.4 -87.2 117.1 -0.0 -0.4 0.3 32 32 A N E - C 0 23B 37 -9,-3.1 -9,-2.9 -2,-0.6 -25,-0.1 -0.895 55.8 -60.1-148.8 176.6 3.2 -2.3 -0.3 33 33 A F - 0 0 89 -2,-0.3 -11,-0.1 -11,-0.2 -1,-0.1 -0.153 45.6-119.0 -59.5 157.0 5.3 -3.9 -3.1 34 34 A P S S- 0 0 95 0, 0.0 -1,-0.1 0, 0.0 -12,-0.1 0.812 87.4 -23.2 -68.5 -30.6 3.8 -6.7 -5.1 35 35 A M 0 0 137 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.872 360.0 360.0-178.7 145.1 6.5 -9.1 -4.0 36 36 A P 0 0 202 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.345 360.0 360.0 -54.8 360.0 10.1 -9.1 -2.6