==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DE NOVO PROTEIN 21-FEB-07 2JO4 . COMPND 2 MOLECULE: KIA7; . SOURCE 2 SYNTHETIC: YES . AUTHOR J.LOPEZ DE LA OSA,C.GONZALEZ,D.V.LAURENTS,A.CHAKRABARTTY, . 80 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4927.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 60 75.0 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 . 10 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 45 56.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 6.2 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 1 0 0 0 0 0 1 0 0 0 0 2 1 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 2 A A > 0 0 65 0, 0.0 3,-1.6 0, 0.0 40,-0.1 0.000 360.0 360.0 360.0 -15.3 -0.2 13.3 1.8 2 3 A K T 3 + 0 0 201 1,-0.3 4,-0.3 2,-0.1 3,-0.1 0.623 360.0 86.1 -58.9 -12.4 0.5 14.4 -1.8 3 4 A A T 3> S+ 0 0 15 36,-0.2 4,-1.5 1,-0.1 -1,-0.3 0.549 75.0 86.7 -54.1 -10.8 2.6 11.2 -1.8 4 5 A A H <> S+ 0 0 0 -3,-1.6 4,-1.5 1,-0.2 5,-0.5 0.984 80.3 39.1 -63.6 -81.1 -0.7 9.6 -2.7 5 6 A A H 4 S+ 0 0 62 1,-0.3 -1,-0.2 2,-0.2 -2,-0.1 0.416 117.8 51.6 -69.2 2.8 -1.5 9.6 -6.5 6 7 A A H > S+ 0 0 78 -4,-0.3 4,-1.0 -3,-0.2 -1,-0.3 0.827 116.5 35.6 -89.2 -51.1 2.1 8.8 -7.3 7 8 A A H X S+ 0 0 4 -4,-1.5 4,-2.2 -3,-0.5 3,-0.4 0.992 121.1 38.1 -68.2 -65.9 2.6 5.8 -5.0 8 9 A I H X S+ 0 0 3 -4,-1.5 4,-2.9 -5,-0.2 -1,-0.2 0.720 110.0 63.6 -63.9 -24.4 -0.7 3.9 -4.9 9 10 A K H > S+ 0 0 144 -5,-0.5 4,-0.5 2,-0.2 -1,-0.2 0.907 110.3 36.3 -76.1 -44.8 -1.4 4.5 -8.6 10 11 A A H >X S+ 0 0 52 -4,-1.0 4,-2.4 -3,-0.4 3,-1.2 0.928 116.7 55.7 -61.5 -49.1 1.6 2.5 -9.8 11 12 A I H 3X S+ 0 0 15 -4,-2.2 4,-2.5 1,-0.3 -2,-0.2 0.876 99.2 59.1 -64.0 -35.5 1.1 0.0 -6.9 12 13 A A H 3X S+ 0 0 44 -4,-2.9 4,-1.0 2,-0.2 -1,-0.3 0.747 112.9 39.8 -67.4 -20.5 -2.5 -0.8 -8.0 13 14 A A H S+ 0 0 26 -4,-2.5 4,-1.2 -5,-0.2 5,-1.2 0.970 107.9 44.4 -60.4 -58.7 -0.7 -5.5 -7.7 16 17 A K H <5S+ 0 0 180 -4,-1.0 3,-0.4 1,-0.2 -2,-0.2 0.892 119.3 43.4 -56.3 -39.9 -2.6 -6.8 -10.7 17 18 A A H <5S+ 0 0 91 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.768 109.9 57.3 -75.0 -28.8 0.7 -7.7 -12.4 18 19 A G H <5S- 0 0 35 -4,-1.8 6,-0.4 -5,-0.2 -1,-0.2 0.692 100.2-135.0 -74.0 -22.2 2.1 -9.2 -9.2 19 20 A G T <5 0 0 61 -4,-1.2 -3,-0.2 -3,-0.4 4,-0.1 0.790 360.0 360.0 68.5 29.3 -0.8 -11.6 -8.9 20 21 A Y < 0 0 52 -5,-1.2 -4,-0.1 2,-0.1 51,-0.1 0.737 360.0 360.0 -51.7 360.0 -1.1 -10.8 -5.2 21 !* 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 22 24 B A > 0 0 66 0, 0.0 3,-1.4 0, 0.0 -2,-0.1 0.000 360.0 360.0 360.0 17.0 1.9 -13.4 -2.8 23 25 B K T 3 + 0 0 202 1,-0.3 4,-0.2 2,-0.1 3,-0.1 0.636 360.0 83.8 -68.0 -10.9 5.6 -13.2 -3.7 24 26 B A T 3> S+ 0 0 18 -6,-0.4 4,-1.6 1,-0.1 5,-0.4 0.475 74.1 90.7 -55.2 -7.8 4.8 -9.8 -5.2 25 27 B A H <> S+ 0 0 13 -3,-1.4 4,-2.9 1,-0.2 5,-0.5 0.987 80.8 36.8 -65.5 -80.9 5.2 -8.6 -1.6 26 28 B A H 4 S+ 0 0 58 1,-0.2 -1,-0.2 3,-0.2 -2,-0.1 0.346 117.2 55.9 -72.7 13.9 8.7 -7.5 -0.7 27 29 B A H > S+ 0 0 73 -3,-0.3 4,-1.5 -4,-0.2 -1,-0.2 0.829 119.7 25.1 -86.4 -62.7 9.2 -6.0 -4.2 28 30 B A H X S+ 0 0 7 -4,-1.6 4,-2.5 1,-0.2 -2,-0.2 0.853 124.4 51.4 -78.3 -35.1 6.2 -3.6 -4.2 29 31 B I H X S+ 0 0 18 -4,-2.9 4,-3.5 -5,-0.4 5,-0.2 0.872 106.2 55.7 -64.2 -41.6 6.0 -3.2 -0.5 30 32 B K H > S+ 0 0 152 -5,-0.5 4,-0.8 2,-0.2 -2,-0.2 0.898 110.4 45.8 -64.0 -38.3 9.7 -2.4 -0.3 31 33 B A H >X S+ 0 0 42 -4,-1.5 4,-2.5 2,-0.2 3,-0.9 0.969 115.3 47.4 -59.4 -52.7 9.1 0.4 -2.8 32 34 B I H 3X S+ 0 0 8 -4,-2.5 4,-3.0 1,-0.3 -2,-0.2 0.909 108.2 52.1 -64.0 -44.8 6.0 1.6 -0.9 33 35 B A H 3X S+ 0 0 22 -4,-3.5 4,-0.9 1,-0.2 -1,-0.3 0.719 116.2 42.7 -67.3 -16.2 7.5 1.6 2.6 34 36 B A H S+ 0 0 24 -4,-3.0 4,-2.4 -5,-0.2 5,-0.8 0.969 110.5 44.6 -59.3 -57.6 6.1 6.4 2.4 37 39 B K H <5S+ 0 0 167 -4,-0.9 -2,-0.2 1,-0.2 -1,-0.2 0.874 120.3 40.4 -53.1 -44.6 9.3 7.6 4.1 38 40 B A H <5S+ 0 0 92 -4,-2.3 -1,-0.2 1,-0.1 -2,-0.2 0.750 117.0 49.9 -75.2 -30.3 10.2 9.8 1.2 39 41 B G H <5S- 0 0 37 -4,-2.2 -36,-0.2 -5,-0.2 -2,-0.2 0.815 98.0-134.1 -83.6 -33.8 6.7 11.1 0.6 40 42 B G T <5 0 0 58 -4,-2.4 -3,-0.1 -5,-0.2 -4,-0.1 0.776 360.0 360.0 81.3 36.0 5.8 12.1 4.1 41 43 B Y < 0 0 46 -5,-0.8 10,-0.1 -6,-0.1 6,-0.1 0.673 360.0 360.0 -54.6 360.0 2.4 10.6 4.4 42 !* 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 43 46 C A > 0 0 69 0, 0.0 3,-2.0 0, 0.0 4,-0.3 0.000 360.0 360.0 360.0 -5.7 -5.8 11.9 -2.0 44 47 C K T 3 + 0 0 198 1,-0.3 38,-0.1 2,-0.1 39,-0.0 0.869 360.0 66.6 -55.7 -34.1 -8.0 12.2 1.1 45 48 C A T >> S+ 0 0 11 36,-0.3 4,-1.2 1,-0.1 3,-0.6 0.536 85.8 85.7 -56.7 -12.7 -7.9 8.4 1.1 46 49 C A H X> S+ 0 0 0 -3,-2.0 4,-2.7 1,-0.2 3,-1.8 0.979 92.0 27.2 -65.9 -85.7 -4.2 8.8 2.0 47 50 C A H 34 S+ 0 0 56 -4,-0.3 -1,-0.2 1,-0.3 -2,-0.1 0.073 120.0 61.3 -76.7 32.9 -3.6 9.2 5.7 48 51 C A H <4 S+ 0 0 66 -2,-1.0 4,-0.3 -3,-0.6 -1,-0.3 0.483 121.0 19.6-121.6 -27.6 -6.8 7.3 6.3 49 52 C A H << S+ 0 0 1 -3,-1.8 -2,-0.2 -4,-1.2 -3,-0.2 0.786 121.7 57.1-103.4 -49.3 -5.7 4.1 4.6 50 53 C I S >X S+ 0 0 4 -4,-2.7 4,-3.6 -5,-0.4 3,-1.3 0.811 104.5 56.3 -55.2 -34.3 -1.9 4.5 4.6 51 54 C K H 3> S+ 0 0 138 -5,-0.5 4,-1.8 1,-0.3 5,-0.3 0.992 108.5 45.1 -55.3 -61.3 -2.0 4.9 8.4 52 55 C A H 34 S+ 0 0 45 -4,-0.3 -1,-0.3 1,-0.2 -2,-0.2 0.155 119.6 46.1 -64.4 12.5 -3.8 1.5 8.8 53 56 C I H <> S+ 0 0 9 -3,-1.3 4,-3.1 3,-0.1 -2,-0.2 0.617 106.2 50.5-122.2 -50.1 -1.2 0.2 6.3 54 57 C A H X S+ 0 0 36 -4,-3.6 4,-1.0 1,-0.3 -2,-0.2 0.790 117.3 45.1 -63.9 -24.0 2.2 1.5 7.5 55 58 C A H X S+ 0 0 54 -4,-1.8 4,-1.9 -5,-0.3 -1,-0.3 0.825 112.8 49.8 -77.4 -38.9 1.2 0.1 11.0 56 59 C I H > S+ 0 0 63 -5,-0.3 4,-2.9 2,-0.2 -2,-0.2 0.815 104.3 59.5 -72.4 -31.8 0.0 -3.2 9.4 57 60 C I H X>S+ 0 0 20 -4,-3.1 4,-1.9 2,-0.2 5,-1.6 0.955 110.2 43.2 -53.7 -51.6 3.3 -3.4 7.5 58 61 C K H <5S+ 0 0 174 -4,-1.0 -2,-0.2 2,-0.2 -1,-0.2 0.886 118.3 43.1 -61.3 -47.5 5.1 -3.4 10.9 59 62 C A H <5S+ 0 0 88 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.839 114.5 51.4 -71.4 -36.6 2.6 -5.8 12.5 60 63 C G H <5S- 0 0 32 -4,-2.9 6,-0.5 -5,-0.1 -2,-0.2 0.821 105.7-132.3 -67.1 -35.9 2.6 -8.0 9.4 61 64 C G T <5 0 0 62 -4,-1.9 -3,-0.2 -5,-0.2 -4,-0.1 0.869 360.0 360.0 77.3 42.9 6.4 -8.2 9.4 62 65 C Y < 0 0 76 -5,-1.6 -1,-0.2 4,-0.1 -2,-0.0 -0.421 360.0 360.0 -64.0 360.0 7.0 -7.4 5.7 63 !* 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 64 68 D A 0 0 114 0, 0.0 4,-0.1 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -18.8 2.9 -13.8 4.1 65 69 D K >> + 0 0 184 1,-0.2 3,-2.0 2,-0.2 4,-1.9 0.942 360.0 54.3 -51.3 -51.5 -0.0 -13.1 6.4 66 70 D A H 3>>S+ 0 0 4 -6,-0.5 4,-2.5 1,-0.3 5,-0.6 0.843 98.5 66.1 -45.7 -39.3 0.9 -9.5 5.8 67 71 D A H 345S+ 0 0 5 2,-0.2 -1,-0.3 3,-0.2 -2,-0.2 0.341 111.6 30.2 -84.1 4.7 0.6 -10.2 2.1 68 72 D A H <>5S+ 0 0 37 -3,-2.0 4,-3.3 -4,-0.1 3,-0.4 0.574 120.1 49.6-103.4 -62.2 -3.1 -10.9 2.3 69 73 D A H X5S+ 0 0 66 -4,-1.9 4,-1.0 1,-0.3 -2,-0.2 0.727 116.2 39.7 -54.7 -37.2 -4.2 -8.6 5.2 70 74 D A H X5S+ 0 0 2 -4,-2.5 4,-2.5 -5,-0.2 -1,-0.3 0.904 120.6 44.5 -77.2 -40.1 -2.5 -5.4 4.0 71 75 D I H >X S+ 0 0 33 -4,-1.0 4,-2.9 -5,-0.4 3,-1.2 0.975 118.0 41.5 -59.8 -64.6 -7.4 -3.9 2.9 74 78 D I H 3X S+ 0 0 11 -4,-2.5 4,-3.0 1,-0.3 5,-0.2 0.909 109.8 53.7 -68.8 -39.8 -5.7 -1.6 0.4 75 79 D A H 3X S+ 0 0 49 -4,-3.4 4,-0.5 1,-0.2 -1,-0.3 0.681 119.3 37.4 -71.7 -12.6 -7.1 -3.0 -2.9 76 80 D A H <> S+ 0 0 57 -3,-1.2 4,-1.4 -4,-0.3 -2,-0.2 0.766 115.2 52.0 -98.1 -35.7 -10.6 -2.5 -1.5 77 81 D I H X S+ 0 0 65 -4,-2.9 4,-3.2 2,-0.2 -2,-0.2 0.795 107.2 56.0 -70.9 -27.6 -9.9 0.7 0.3 78 82 D I H X>S+ 0 0 31 -4,-3.0 4,-1.8 -5,-0.3 5,-0.8 0.963 107.5 47.3 -66.3 -50.3 -8.4 2.1 -2.9 79 83 D K H <5S+ 0 0 178 -4,-0.5 -2,-0.2 -5,-0.2 -1,-0.2 0.787 121.7 37.3 -53.9 -36.2 -11.7 1.3 -4.7 80 84 D A H <5S+ 0 0 90 -4,-1.4 -2,-0.2 1,-0.1 -1,-0.2 0.856 114.0 54.0 -85.8 -42.4 -13.6 3.0 -1.9 81 85 D G H <5S- 0 0 38 -4,-3.2 -36,-0.3 -5,-0.1 -2,-0.2 0.737 97.1-134.4 -66.3 -30.7 -11.2 5.8 -1.2 82 86 D G T <5 0 0 63 -4,-1.8 -3,-0.1 -5,-0.2 -38,-0.1 0.785 360.0 360.0 74.7 32.6 -11.1 7.1 -4.7 83 87 D Y < 0 0 39 -5,-0.8 -74,-0.1 -6,-0.2 -4,-0.1 0.650 360.0 360.0 -52.1 360.0 -7.3 7.5 -5.0