==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 28-MAR-02 1LA4 . COMPND 2 MOLECULE: SGTX1; . SOURCE 2 SYNTHETIC: YES; . AUTHOR C.W.LEE,S.H.ROH,S.KIM,H.ENDOH,Y.KODERA,T.MAEDA,K.J.SWARTZ, . 33 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 2707.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 18 54.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 6.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 18.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 3.0 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 . 5 15.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 3 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 . 1 3.0 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 T 0 0 186 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 129.4 -7.6 6.0 -5.7 2 2 A a - 0 0 49 15,-0.0 13,-0.2 14,-0.0 2,-0.2 -0.938 360.0-112.4-161.7-175.8 -4.8 4.3 -3.7 3 3 A R B -a 15 0A 104 11,-0.7 13,-1.4 -2,-0.3 16,-0.2 -0.582 24.4-131.2-119.9-175.4 -3.4 3.7 -0.2 4 4 A Y > - 0 0 154 1,-0.3 3,-1.7 -2,-0.2 24,-0.3 -0.495 55.9 -20.7-124.7-164.0 -0.3 4.8 1.6 5 5 A L T 3 S+ 0 0 55 1,-0.3 -1,-0.3 -2,-0.2 24,-0.3 -0.009 132.9 6.5 -39.6 140.8 2.5 3.3 3.7 6 6 A F T 3 S+ 0 0 146 22,-1.7 2,-0.5 1,-0.2 -1,-0.3 0.797 90.0 165.3 52.8 27.7 1.6 -0.1 5.2 7 7 A G E < -B 28 0B 9 -3,-1.7 21,-1.1 21,-1.0 2,-0.4 -0.624 51.3-106.7 -77.4 120.4 -1.7 0.1 3.2 8 8 A G E +B 27 0B 64 -2,-0.5 2,-0.3 19,-0.2 19,-0.2 -0.208 63.6 160.3 -47.4 99.1 -3.3 -3.4 3.2 9 9 A b - 0 0 4 17,-1.6 3,-0.1 -2,-0.4 -1,-0.0 -0.900 45.1-162.8-127.6 159.1 -2.4 -4.3 -0.4 10 10 A K S S+ 0 0 162 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.426 82.8 20.3-114.8 -5.5 -2.2 -7.4 -2.5 11 11 A T S > S- 0 0 77 1,-0.1 3,-1.3 15,-0.1 -1,-0.2 -0.988 77.6-110.2-156.6 163.4 -0.2 -5.8 -5.3 12 12 A T G > S+ 0 0 81 -2,-0.3 3,-1.5 1,-0.3 9,-0.2 0.844 114.8 63.1 -68.7 -30.6 2.0 -2.8 -6.1 13 13 A A G 3 S+ 0 0 97 1,-0.3 -1,-0.3 8,-0.1 7,-0.0 0.525 90.8 70.6 -72.4 -0.3 -0.7 -1.3 -8.3 14 14 A D G < S+ 0 0 59 -3,-1.3 -11,-0.7 -12,-0.1 -1,-0.3 0.551 89.4 71.7 -92.8 -6.5 -2.9 -1.1 -5.2 15 15 A c B < S-a 3 0A 10 -3,-1.5 -11,-0.2 -13,-0.2 -10,-0.0 -0.399 91.3 -90.6 -99.3-178.2 -0.8 1.7 -3.6 16 16 A a - 0 0 18 -13,-1.4 2,-0.9 -2,-0.1 -1,-0.2 0.053 60.2 -72.4 -77.0-166.8 -0.5 5.4 -4.5 17 17 A K S S+ 0 0 168 1,-0.2 -1,-0.1 3,-0.0 3,-0.1 -0.100 131.4 32.6 -84.3 43.1 2.0 6.9 -6.9 18 18 A H S S+ 0 0 107 -2,-0.9 13,-0.7 1,-0.1 -1,-0.2 0.334 96.8 88.1-161.7 -31.0 4.9 6.4 -4.4 19 19 A L - 0 0 12 -16,-0.2 2,-0.3 11,-0.2 11,-0.3 -0.247 58.1-148.9 -77.1 169.7 4.2 3.3 -2.3 20 20 A A - 0 0 18 10,-0.1 2,-1.1 7,-0.1 9,-0.8 -0.809 16.2-132.8-143.7 98.8 5.2 -0.2 -3.2 21 21 A b E -C 28 0B 10 -2,-0.3 2,-0.3 7,-0.3 7,-0.3 -0.261 30.8-158.2 -52.3 92.3 3.1 -3.2 -2.1 22 22 A R E > -C 27 0B 118 5,-2.6 5,-1.6 -2,-1.1 4,-0.3 -0.580 19.3-135.4 -78.1 134.4 5.9 -5.3 -0.8 23 23 A S T 5S+ 0 0 109 -2,-0.3 2,-2.5 3,-0.2 3,-0.3 0.630 86.2 98.1 -64.5 -8.1 5.1 -9.0 -0.6 24 24 A D T 5S- 0 0 127 1,-0.3 -1,-0.2 3,-0.2 -2,-0.1 -0.392 118.6 -18.9 -79.1 68.2 6.7 -9.0 2.9 25 25 A G T 5S- 0 0 63 -2,-2.5 -1,-0.3 -4,-0.1 -16,-0.2 0.557 101.8 -95.4 108.3 13.3 3.4 -8.6 4.7 26 26 A K T 5S+ 0 0 115 -3,-0.3 -17,-1.6 -4,-0.3 2,-0.4 0.938 80.2 143.4 41.6 64.3 1.4 -7.4 1.7 27 27 A Y E < -BC 8 22B 63 -5,-1.6 -5,-2.6 -19,-0.2 2,-0.6 -0.989 52.0-123.5-134.9 142.4 1.8 -3.8 2.6 28 28 A c E +BC 7 21B 0 -21,-1.1 -22,-1.7 -2,-0.4 -21,-1.0 -0.722 38.7 161.0 -87.5 124.0 2.3 -0.6 0.5 29 29 A A - 0 0 14 -9,-0.8 2,-0.1 -2,-0.6 -2,-0.1 -0.982 29.9-135.6-142.9 128.1 5.5 1.3 1.3 30 30 A W - 0 0 116 -2,-0.4 2,-0.5 -11,-0.3 -11,-0.2 -0.360 12.5-141.5 -79.3 163.9 7.2 3.9 -0.9 31 31 A D - 0 0 154 -13,-0.7 -1,-0.0 -12,-0.1 -2,-0.0 -0.892 55.4 -53.3-130.3 105.4 11.0 4.0 -1.3 32 32 A G 0 0 55 -2,-0.5 -1,-0.1 0, 0.0 -2,-0.0 -0.355 360.0 360.0 64.9-145.5 12.8 7.4 -1.5 33 33 A T 0 0 183 -3,-0.1 -15,-0.0 -2,-0.0 0, 0.0 -0.883 360.0 360.0-152.3 360.0 11.4 9.7 -4.1