==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 11-AUG-10 3ODV . COMPND 2 MOLECULE: POTASSIUM CHANNEL TOXIN ALPHA-KTX 3.1; . SOURCE 2 SYNTHETIC: YES; . AUTHOR B.L.PENTELUTE,K.MANDAL,Z.P.GATES,M.R.SAWAYA,T.O.YEATES,S.B.H . 76 2 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5767.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 45 59.2 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 . 21 27.6 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 . 5 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 14.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 8 10.5 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+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 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 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 2 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 ANTIPARALLEL 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 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 G 0 0 84 0, 0.0 2,-0.5 0, 0.0 35,-0.2 0.000 360.0 360.0 360.0-178.2 10.0 6.4 19.6 2 2 A V E -A 35 0A 67 33,-3.1 33,-2.5 0, 0.0 2,-0.4 -0.857 360.0-125.9-102.2 133.7 8.6 7.5 22.9 3 3 A E E -A 34 0A 105 -2,-0.5 2,-0.3 31,-0.2 31,-0.2 -0.660 25.9-163.4 -76.6 129.8 8.0 11.1 23.5 4 4 A I E - 0 0 28 29,-2.5 2,-2.0 -2,-0.4 29,-0.4 -0.779 33.4-103.0-110.5 162.1 9.6 12.5 26.6 5 5 A N E S+ 0 0 152 -2,-0.3 2,-0.4 27,-0.1 29,-0.1 -0.313 81.0 114.8 -88.5 58.8 8.7 15.7 28.4 6 6 A V E - 0 0 52 -2,-2.0 27,-2.1 27,-0.3 2,-0.3 -0.996 57.7-136.9-132.7 129.3 11.7 17.7 27.1 7 7 A K E +A 32 0A 164 -2,-0.4 2,-0.3 25,-0.2 25,-0.3 -0.621 29.8 167.1 -87.4 144.8 11.6 20.6 24.7 8 8 A a - 0 0 7 23,-1.4 3,-0.1 -2,-0.3 -2,-0.0 -0.977 36.9-161.8-151.3 160.7 14.1 21.0 21.8 9 9 A S S S+ 0 0 104 1,-0.3 2,-0.3 -2,-0.3 -1,-0.1 0.355 86.4 22.5-121.8 -3.9 14.8 22.9 18.7 10 10 A G S > S- 0 0 22 1,-0.1 3,-1.4 19,-0.0 -1,-0.3 -0.972 80.4-111.0-158.7 152.7 17.3 20.4 17.2 11 11 A S G > S+ 0 0 53 -2,-0.3 3,-2.4 1,-0.3 4,-0.4 0.798 107.6 67.1 -60.3 -32.4 18.1 16.7 17.6 12 12 A P G > S+ 0 0 114 0, 0.0 3,-1.3 0, 0.0 4,-0.4 0.818 92.9 64.1 -58.3 -27.0 21.5 17.1 19.3 13 13 A Q G < S+ 0 0 93 -3,-1.4 -2,-0.2 1,-0.2 20,-0.1 0.594 96.4 59.3 -68.9 -13.0 19.6 18.5 22.2 14 14 A b G <> S+ 0 0 2 -3,-2.4 4,-2.6 -4,-0.2 5,-0.2 0.505 80.4 85.3 -94.8 -4.7 17.9 15.2 22.7 15 15 A L H <> S+ 0 0 117 -3,-1.3 4,-2.2 -4,-0.4 5,-0.2 0.974 97.4 35.7 -62.5 -54.9 20.9 13.0 23.2 16 16 A K H > S+ 0 0 159 -4,-0.4 4,-2.7 2,-0.2 5,-0.2 0.935 117.7 52.4 -67.5 -44.8 21.3 13.6 26.9 17 17 A P H > S+ 0 0 24 0, 0.0 4,-1.0 0, 0.0 -1,-0.2 0.921 111.4 47.3 -55.7 -42.8 17.5 13.7 27.6 18 18 A c H ><>S+ 0 0 2 -4,-2.6 5,-2.9 1,-0.2 3,-0.6 0.913 111.6 50.4 -66.2 -39.6 17.1 10.4 25.8 19 19 A K H ><5S+ 0 0 142 -4,-2.2 3,-1.7 -5,-0.2 -1,-0.2 0.890 106.1 55.6 -62.6 -38.4 20.0 8.9 27.8 20 20 A D H 3<5S+ 0 0 147 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.757 108.5 49.8 -62.7 -24.7 18.4 10.2 31.0 21 21 A A T <<5S- 0 0 46 -4,-1.0 -1,-0.3 -3,-0.6 -2,-0.2 0.280 127.5-101.9 -96.1 6.2 15.3 8.2 29.9 22 22 A G T < 5S+ 0 0 41 -3,-1.7 2,-0.3 1,-0.3 -3,-0.2 0.604 83.1 116.8 89.3 14.0 17.5 5.1 29.2 23 23 A M < - 0 0 19 -5,-2.9 -1,-0.3 -6,-0.1 -2,-0.2 -0.796 50.1-158.3-126.4 160.0 17.7 5.3 25.4 24 24 A R S S+ 0 0 189 12,-0.4 2,-0.3 -2,-0.3 -5,-0.1 0.486 73.0 44.3-118.9 -8.0 20.4 5.8 22.9 25 25 A F + 0 0 151 11,-0.4 11,-2.7 -7,-0.1 2,-0.3 -0.970 63.3 120.8-138.1 152.4 18.8 7.1 19.7 26 26 A G E -B 35 0A 44 -2,-0.3 2,-0.3 9,-0.3 9,-0.2 -0.974 33.4-135.9-179.6-169.7 16.2 9.8 19.1 27 27 A K E -B 34 0A 64 7,-2.3 7,-2.2 -2,-0.3 2,-0.5 -0.961 25.1-104.3-169.5 161.4 15.3 13.0 17.4 28 28 A a E +B 33 0A 4 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.772 44.7 163.0 -91.2 124.6 13.6 16.4 17.9 29 29 A M E > +B 32 0A 34 3,-2.7 3,-1.5 -2,-0.5 30,-0.1 -0.982 65.4 0.6-147.4 130.5 10.2 16.5 16.3 30 30 A N T 3 S- 0 0 108 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.845 128.0 -61.9 60.0 35.6 7.4 19.0 17.0 31 31 A R T 3 S+ 0 0 166 1,-0.2 -23,-1.4 -24,-0.1 2,-0.3 0.598 119.1 97.7 64.7 18.7 9.7 20.8 19.6 32 32 A K E < S-AB 7 29A 46 -3,-1.5 -3,-2.7 -25,-0.3 2,-0.3 -0.949 76.0-111.4-130.3 154.4 9.8 17.7 21.8 33 33 A b E - B 0 28A 0 -27,-2.1 -29,-2.5 -29,-0.4 2,-0.4 -0.663 27.2-169.4 -84.4 137.6 12.3 14.9 22.1 34 34 A H E -AB 3 27A 24 -7,-2.2 -7,-2.3 -2,-0.3 2,-0.4 -0.987 7.7-162.4-126.3 135.4 11.4 11.4 21.0 35 35 A c E -AB 2 26A 0 -33,-2.5 -33,-3.1 -2,-0.4 -9,-0.3 -0.936 21.3-115.7-127.3 142.8 13.6 8.4 21.9 36 36 A T - 0 0 72 -11,-2.7 -12,-0.4 -2,-0.4 -11,-0.4 -0.570 43.0-105.0 -79.3 127.9 13.9 4.9 20.5 37 37 A P 0 0 86 0, 0.0 -1,-0.1 0, 0.0 -15,-0.1 -0.173 360.0 360.0 -51.6 142.8 12.9 2.2 23.0 38 38 A K 0 0 225 -3,-0.1 -15,-0.1 -15,-0.0 -3,-0.0 -0.509 360.0 360.0 -68.2 360.0 15.8 0.2 24.5 39 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 40 1 B G 0 0 87 0, 0.0 2,-0.5 0, 0.0 35,-0.2 0.000 360.0 360.0 360.0-173.8 0.0 13.7 0.8 41 2 B V E -C 74 0B 63 33,-2.9 33,-2.9 0, 0.0 2,-0.3 -0.904 360.0-133.3-106.9 120.0 -1.5 15.1 4.0 42 3 B E E -C 73 0B 110 -2,-0.5 2,-0.3 31,-0.3 31,-0.2 -0.588 26.0-164.3 -71.0 129.2 -2.3 18.9 4.1 43 4 B I E - 0 0 25 29,-2.6 2,-1.9 -2,-0.3 29,-0.4 -0.753 33.9 -99.9-111.8 166.0 -1.0 20.4 7.4 44 5 B N E S+ 0 0 154 -2,-0.3 2,-0.4 27,-0.1 -2,-0.0 -0.302 83.3 112.7 -85.6 54.6 -1.9 23.7 8.9 45 6 B V E - 0 0 49 -2,-1.9 27,-2.0 27,-0.2 2,-0.2 -0.997 57.5-140.7-132.9 126.5 1.2 25.6 7.7 46 7 B K E +C 71 0B 180 -2,-0.4 2,-0.3 25,-0.2 25,-0.3 -0.587 29.1 166.4 -88.9 149.9 1.2 28.3 5.1 47 8 B d - 0 0 10 23,-1.3 3,-0.1 -2,-0.2 23,-0.0 -0.978 39.0-159.1-155.1 162.4 3.9 28.5 2.5 48 9 B S S S+ 0 0 110 1,-0.3 2,-0.3 -2,-0.3 -1,-0.1 0.346 86.5 26.6-125.9 -2.4 5.0 30.1 -0.8 49 10 B G S > S- 0 0 25 1,-0.1 3,-1.5 19,-0.0 -1,-0.3 -0.975 79.1-114.6-158.4 149.1 7.6 27.5 -1.8 50 11 B S G > S+ 0 0 47 -2,-0.3 3,-2.3 1,-0.3 4,-0.5 0.799 106.7 68.0 -60.4 -31.7 8.2 23.9 -1.2 51 12 B P G > S+ 0 0 117 0, 0.0 3,-1.0 0, 0.0 4,-0.5 0.821 92.4 63.9 -58.8 -26.2 11.5 24.2 0.8 52 13 B Q G < S+ 0 0 99 -3,-1.5 -2,-0.2 1,-0.2 20,-0.1 0.629 98.1 57.0 -67.9 -13.9 9.4 25.9 3.6 53 14 B e G <> S+ 0 0 0 -3,-2.3 4,-2.3 -4,-0.3 -1,-0.2 0.566 83.2 82.2 -94.7 -11.2 7.5 22.6 4.0 54 15 B L H <> S+ 0 0 117 -3,-1.0 4,-2.0 -4,-0.5 5,-0.2 0.969 98.2 36.8 -61.5 -55.4 10.5 20.3 4.8 55 16 B K H > S+ 0 0 143 -4,-0.5 4,-2.7 1,-0.2 5,-0.2 0.946 117.2 50.8 -67.0 -46.9 10.8 21.1 8.5 56 17 B P H > S+ 0 0 25 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.902 110.4 50.5 -57.9 -37.6 7.1 21.4 9.2 57 18 B f H <>S+ 0 0 0 -4,-2.3 5,-2.5 2,-0.2 3,-0.3 0.909 110.5 48.9 -68.0 -38.0 6.4 18.1 7.5 58 19 B K H ><5S+ 0 0 65 -4,-2.0 3,-1.7 -5,-0.2 -1,-0.2 0.915 109.7 52.6 -61.3 -43.8 9.1 16.5 9.6 59 20 B D H 3<5S+ 0 0 30 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.715 104.3 57.0 -66.9 -20.0 7.6 18.1 12.7 60 21 B A T 3<5S- 0 0 49 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.382 122.9-105.2 -88.2 1.8 4.3 16.6 11.8 61 22 B G T < 5S+ 0 0 34 -3,-1.7 16,-0.4 1,-0.2 -3,-0.2 0.642 89.6 96.8 87.9 9.9 5.7 13.1 11.8 62 23 B M < - 0 0 28 -5,-2.5 2,-0.3 -6,-0.2 -1,-0.2 -0.255 62.4-120.1-117.7-160.2 5.8 12.8 8.0 63 24 B R E +D 75 0B 107 12,-2.2 12,-2.8 -2,-0.1 -1,-0.0 -0.875 62.1 15.5-143.5 177.3 8.2 13.3 5.1 64 25 B F E - 0 0 135 -2,-0.3 -7,-0.2 10,-0.2 -6,-0.2 -0.301 67.9-146.4 56.7-134.3 9.0 15.3 1.9 65 26 B G E - 0 0 22 8,-0.1 2,-0.4 -8,-0.1 9,-0.2 -0.131 15.4-165.4 136.9 124.4 6.8 18.4 1.6 66 27 B K E -D 73 0B 123 7,-1.8 7,-2.4 -13,-0.1 2,-0.6 -1.000 19.1-133.6-135.5 133.9 5.2 20.3 -1.2 67 28 B d E +D 72 0B 25 -2,-0.4 2,-0.3 5,-0.2 5,-0.2 -0.813 34.0 164.8 -88.7 123.4 3.7 23.8 -1.2 68 29 B M E > -D 71 0B 92 3,-2.8 3,-1.7 -2,-0.6 -21,-0.1 -0.995 66.2 -8.1-138.7 132.1 0.2 23.9 -3.0 69 30 B N T 3 S- 0 0 158 -2,-0.3 -1,-0.1 1,-0.3 3,-0.1 0.889 130.6 -54.3 43.2 48.4 -2.5 26.8 -2.7 70 31 B R T 3 S+ 0 0 203 1,-0.2 -23,-1.3 -24,-0.1 2,-0.3 0.598 120.2 98.8 68.8 19.1 -0.4 28.4 -0.0 71 32 B K E < S-CD 46 68B 46 -3,-1.7 -3,-2.8 -25,-0.3 2,-0.4 -0.956 72.4-111.6-134.7 155.4 -0.3 25.2 2.2 72 33 B e E - D 0 67B 0 -27,-2.0 -29,-2.6 -29,-0.4 2,-0.5 -0.662 23.0-165.8 -85.8 136.0 2.1 22.4 2.9 73 34 B H E -CD 42 66B 35 -7,-2.4 -7,-1.8 -2,-0.4 2,-0.3 -0.985 12.5-162.1-123.3 117.8 1.3 18.9 1.8 74 35 B f E -C 41 0B 0 -33,-2.9 -33,-2.9 -2,-0.5 -10,-0.2 -0.704 18.9-120.6-104.1 151.7 3.4 16.2 3.4 75 36 B T E - D 0 63B 54 -12,-2.8 -12,-2.2 -2,-0.3 2,-0.1 -0.745 32.4-126.6 -91.9 127.4 4.0 12.6 2.4 76 37 B P 0 0 66 0, 0.0 -14,-0.1 0, 0.0 -15,-0.0 -0.423 360.0 360.0 -70.1 146.0 3.0 10.1 5.0 77 38 B K 0 0 177 -16,-0.4 -15,-0.1 -2,-0.1 -2,-0.0 0.478 360.0 360.0 -78.2 360.0 5.4 7.4 6.2