==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 19-JAN-06 2FR9 . COMPND 2 MOLECULE: ALPHA-CONOTOXIN GI; . SOURCE 2 SYNTHETIC: YES; . AUTHOR V.S.PASHKOV,I.V.MASLENNIKOV,I.E.KASHEVEROV,M.N.ZHMAK, . 13 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 1637.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 5 38.5 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 . 0 0.0 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 . 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 4 30.8 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 . 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 . 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 0 210 0, 0.0 12,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 167.1 -0.0 8.0 2.3 2 2 A a + 0 0 46 10,-0.5 10,-0.9 1,-0.0 0, 0.0 -0.562 360.0 137.2-162.2 87.2 1.5 4.8 0.8 3 3 A b + 0 0 80 -2,-0.1 10,-0.1 8,-0.1 8,-0.0 0.461 51.5 100.7-109.5 -9.8 4.4 5.2 -1.6 4 4 A N S > S- 0 0 116 1,-0.1 3,-0.9 -3,-0.0 0, 0.0 -0.327 79.9-124.2 -74.8 160.0 6.3 2.3 0.0 5 5 A P G > S+ 0 0 109 0, 0.0 3,-4.2 0, 0.0 5,-0.2 0.753 102.3 81.7 -75.0 -25.8 6.4 -1.1 -1.6 6 6 A A G 3 S+ 0 0 92 1,-0.3 3,-0.2 3,-0.1 4,-0.1 0.733 73.6 78.5 -50.4 -22.0 5.1 -2.7 1.6 7 7 A a G X S+ 0 0 15 -3,-0.9 3,-3.6 1,-0.2 -1,-0.3 0.678 78.3 176.4 -61.3 -16.0 1.8 -1.5 0.2 8 8 A G G X - 0 0 49 -3,-4.2 3,-0.5 1,-0.3 -1,-0.2 -0.206 69.4 -10.2 48.7-125.3 2.2 -4.6 -1.9 9 9 A R G 3 S+ 0 0 220 1,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.428 126.4 81.0 -81.2 0.4 -0.9 -5.0 -4.0 10 10 A H G < + 0 0 135 -3,-3.6 -1,-0.2 -5,-0.2 -2,-0.2 -0.054 68.1 162.8 -95.1 30.4 -2.5 -2.2 -1.9 11 11 A Y < + 0 0 168 -3,-0.5 2,-0.2 -6,-0.1 -8,-0.1 -0.233 3.3 153.8 -51.9 130.6 -0.7 0.3 -4.0 12 12 A X 0 0 311 -10,-0.9 -10,-0.5 0, 0.0 -2,-0.0 -0.687 360.0 360.0-160.8 115.3 -2.0 4.0 -3.7 13 13 A b 0 0 86 -2,-0.2 -10,-0.1 -12,-0.1 -2,-0.0 -0.702 360.0 360.0-164.5 360.0 -0.1 7.2 -4.3