==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTEIN KINASE INHIBITOR 25-SEP-97 1KPF . COMPND 2 MOLECULE: PROTEIN KINASE C INTERACTING PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.D.LIMA,M.G.KLEIN,W.A.HENDRICKSON . 111 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6971.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 67 60.4 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 . 22 19.8 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 . 1 0.9 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 . 10 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 8 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 21 18.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 2.7 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 1 0 0 0 0 0 0 0 0 0 0 1 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 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 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 16 A D 0 0 112 0, 0.0 2,-0.1 0, 0.0 94,-0.1 0.000 360.0 360.0 360.0-174.3 9.9 -0.6 22.2 2 17 A T > - 0 0 33 92,-0.1 4,-2.5 1,-0.1 5,-0.2 -0.343 360.0 -94.6 -90.2 177.1 10.7 2.4 20.0 3 18 A I H > S+ 0 0 90 1,-0.2 4,-2.0 2,-0.2 9,-0.2 0.910 128.8 46.8 -56.1 -41.9 9.6 6.1 20.4 4 19 A F H > S+ 0 0 16 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.844 105.8 57.7 -75.0 -31.4 6.7 5.4 18.1 5 20 A G H > S+ 0 0 10 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.941 110.2 46.6 -60.4 -42.6 5.8 2.2 20.0 6 21 A K H <>S+ 0 0 59 -4,-2.5 5,-3.3 1,-0.2 6,-1.0 0.838 108.4 53.0 -68.3 -38.8 5.5 4.5 23.1 7 22 A I H ><5S+ 0 0 11 -4,-2.0 3,-1.7 4,-0.2 -1,-0.2 0.938 108.8 50.9 -60.7 -44.7 3.5 7.2 21.3 8 23 A I H 3<5S+ 0 0 46 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.942 111.6 47.8 -55.6 -45.3 1.0 4.5 20.2 9 24 A R T 3<5S- 0 0 138 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.254 117.4-114.6 -75.3 1.2 0.8 3.2 23.9 10 25 A K T < 5S+ 0 0 185 -3,-1.7 -3,-0.2 2,-0.2 -2,-0.1 0.848 86.2 117.4 61.9 39.8 0.3 6.8 25.1 11 26 A E S - 0 0 47 47,-0.1 3,-2.2 48,-0.1 4,-0.3 -0.992 65.7-112.7-159.6 152.3 11.9 -1.2 8.8 48 63 A I G > S+ 0 0 65 -2,-0.3 3,-1.5 1,-0.3 -1,-0.1 0.798 110.5 70.3 -62.1 -24.7 10.4 -1.5 5.4 49 64 A S G 3 S+ 0 0 77 1,-0.3 -1,-0.3 -3,-0.0 36,-0.0 0.677 105.4 41.5 -65.7 -16.7 13.3 -3.8 4.2 50 65 A V G < S+ 0 0 81 -3,-2.2 -1,-0.3 2,-0.1 -2,-0.2 0.346 86.4 121.8-110.8 5.4 11.7 -6.5 6.5 51 66 A A < - 0 0 29 -3,-1.5 2,-0.2 -4,-0.3 -6,-0.0 -0.362 58.8-128.3 -66.8 148.2 8.0 -5.8 5.7 52 67 A E > - 0 0 125 1,-0.1 3,-2.4 -2,-0.0 4,-0.2 -0.581 19.6-107.4 -98.2 163.5 6.2 -8.8 4.3 53 68 A D G > S+ 0 0 130 1,-0.3 3,-1.7 -2,-0.2 -1,-0.1 0.876 119.2 61.7 -53.6 -39.0 4.1 -9.2 1.1 54 69 A D G 3 S+ 0 0 135 1,-0.3 -1,-0.3 2,-0.1 3,-0.3 0.506 91.2 66.6 -68.0 -10.0 1.1 -9.3 3.2 55 70 A D G <> + 0 0 9 -3,-2.4 4,-2.5 1,-0.2 -1,-0.3 0.386 69.5 102.3 -90.3 -0.0 1.7 -5.8 4.6 56 71 A E H <> S+ 0 0 140 -3,-1.7 4,-2.6 1,-0.2 5,-0.2 0.885 80.7 48.3 -52.2 -45.4 1.1 -4.1 1.2 57 72 A S H > S+ 0 0 80 -3,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.922 111.2 50.0 -65.0 -39.3 -2.3 -2.9 2.1 58 73 A L H > S+ 0 0 7 -4,-0.3 4,-1.8 2,-0.2 -2,-0.2 0.937 112.4 47.9 -62.4 -46.3 -1.1 -1.4 5.4 59 74 A L H X S+ 0 0 41 -4,-2.5 4,-1.3 1,-0.2 -2,-0.2 0.904 112.9 47.6 -60.2 -44.6 1.7 0.4 3.6 60 75 A G H X S+ 0 0 29 -4,-2.6 4,-2.2 -5,-0.2 -1,-0.2 0.886 106.9 59.7 -64.1 -36.4 -0.6 1.8 1.0 61 76 A H H X S+ 0 0 47 -4,-2.3 4,-3.0 1,-0.2 5,-0.3 0.898 98.2 56.8 -58.5 -43.6 -3.0 2.8 3.8 62 77 A L H X S+ 0 0 5 -4,-1.8 4,-2.4 1,-0.2 -1,-0.2 0.896 109.6 47.2 -55.3 -41.1 -0.3 5.0 5.3 63 78 A M H X S+ 0 0 95 -4,-1.3 4,-2.3 2,-0.2 -2,-0.2 0.888 111.5 48.2 -68.2 -42.3 -0.1 6.9 1.9 64 79 A I H X S+ 0 0 78 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.921 115.0 46.6 -64.1 -40.3 -4.0 7.2 1.6 65 80 A V H X S+ 0 0 2 -4,-3.0 4,-2.9 2,-0.2 5,-0.2 0.902 110.8 51.9 -68.2 -41.3 -4.1 8.5 5.2 66 81 A G H X S+ 0 0 0 -4,-2.4 4,-2.4 -5,-0.3 -1,-0.2 0.900 110.1 50.1 -60.0 -40.8 -1.2 10.9 4.5 67 82 A K H X S+ 0 0 92 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.941 112.2 47.2 -61.4 -51.1 -3.1 12.2 1.4 68 83 A K H X S+ 0 0 115 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.928 113.5 46.9 -57.5 -47.0 -6.2 12.7 3.5 69 84 A C H X S+ 0 0 6 -4,-2.9 4,-2.5 2,-0.2 -1,-0.2 0.896 108.6 55.6 -62.5 -42.1 -4.3 14.5 6.3 70 85 A A H <>S+ 0 0 1 -4,-2.4 5,-2.7 -5,-0.2 -1,-0.2 0.911 110.3 46.2 -57.3 -40.5 -2.5 16.7 3.8 71 86 A A H ><5S+ 0 0 73 -4,-1.9 3,-2.1 1,-0.2 -2,-0.2 0.954 110.7 52.1 -67.9 -45.0 -5.9 17.8 2.4 72 87 A D H 3<5S+ 0 0 129 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.863 110.3 49.8 -57.9 -35.9 -7.2 18.4 5.9 73 88 A L T 3<5S- 0 0 56 -4,-2.5 -1,-0.3 -5,-0.1 -2,-0.2 0.291 120.6-107.2 -86.2 2.9 -4.1 20.6 6.6 74 89 A G T < 5 + 0 0 45 -3,-2.1 2,-1.7 1,-0.1 3,-0.2 0.691 63.0 152.2 81.4 25.8 -4.5 22.6 3.4 75 90 A L > < + 0 0 16 -5,-2.7 3,-1.4 1,-0.2 -1,-0.1 -0.324 12.9 146.2 -86.4 58.3 -1.7 21.3 1.2 76 91 A N T 3 + 0 0 155 -2,-1.7 -1,-0.2 1,-0.3 3,-0.1 0.588 64.9 60.0 -70.5 -10.8 -3.5 22.1 -2.0 77 92 A K T 3 S- 0 0 199 1,-0.4 -1,-0.3 -3,-0.2 2,-0.2 0.439 115.8 -98.1 -99.2 1.6 -0.2 22.9 -3.8 78 93 A G < - 0 0 36 -3,-1.4 25,-0.5 -8,-0.1 -1,-0.4 -0.522 36.2-147.2 112.5-179.4 1.3 19.5 -3.3 79 94 A Y E -D 102 0A 90 -2,-0.2 2,-0.4 23,-0.2 23,-0.2 -0.962 17.0-106.9-172.6 177.7 3.7 17.8 -0.9 80 95 A R E -D 101 0A 55 21,-2.7 21,-2.6 -2,-0.3 2,-0.4 -0.984 18.8-152.1-128.7 134.3 6.4 15.1 -0.7 81 96 A M E -D 100 0A 59 -2,-0.4 2,-0.4 19,-0.2 19,-0.2 -0.851 19.4-175.9-103.5 142.0 6.1 11.6 0.9 82 97 A V E -D 99 0A 42 17,-1.9 17,-3.1 -2,-0.4 2,-0.4 -0.998 20.3-169.0-145.6 141.4 9.2 10.0 2.3 83 98 A V - 0 0 67 -2,-0.4 2,-0.6 15,-0.2 15,-0.1 -0.993 18.1-149.7-130.2 116.8 10.2 6.7 3.9 84 99 A N - 0 0 55 -2,-0.4 2,-0.5 13,-0.3 -36,-0.2 -0.825 14.9-168.3 -92.3 116.9 13.7 6.5 5.4 85 100 A E > - 0 0 55 -2,-0.6 4,-1.4 -38,-0.1 5,-0.2 -0.923 43.3 -40.2-112.7 121.5 15.2 3.1 5.3 86 101 A G H >>S- 0 0 12 -2,-0.5 5,-2.3 3,-0.2 4,-0.8 0.019 96.1 -43.0 64.7-170.2 18.4 2.0 7.2 87 102 A S H >45S+ 0 0 112 1,-0.2 3,-0.7 2,-0.2 -1,-0.2 0.901 138.9 46.4 -63.3 -45.3 21.6 4.0 7.7 88 103 A D H 345S+ 0 0 176 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.2 0.869 110.8 53.8 -67.8 -29.0 21.9 5.4 4.2 89 104 A G H 3<5S- 0 0 32 -4,-1.4 -1,-0.2 1,-0.1 -2,-0.2 0.642 115.3-117.7 -77.3 -14.9 18.2 6.3 4.2 90 105 A G T <<5 + 0 0 41 -4,-0.8 -3,-0.2 -3,-0.7 -4,-0.1 0.584 48.6 175.1 87.6 16.8 18.7 8.3 7.4 91 106 A Q < + 0 0 19 -5,-2.3 -1,-0.2 1,-0.1 3,-0.1 -0.247 14.3 165.0 -61.3 132.1 16.4 6.1 9.5 92 107 A S + 0 0 110 1,-0.3 2,-0.6 -8,-0.1 -1,-0.1 0.701 64.3 51.9-114.7 -37.5 16.3 7.0 13.2 93 108 A V S S- 0 0 22 2,-0.1 2,-1.7 -91,-0.1 -1,-0.3 -0.930 72.4-147.0-112.3 117.7 13.2 5.3 14.5 94 109 A Y S S+ 0 0 74 -2,-0.6 2,-0.3 -3,-0.1 -47,-0.1 -0.436 71.4 92.8 -84.7 63.5 13.0 1.6 13.7 95 110 A H S S- 0 0 2 -2,-1.7 -49,-0.2 -51,-0.1 -48,-0.1 -0.882 88.5-106.4-152.2 109.8 9.2 1.4 13.5 96 111 A V + 0 0 6 -51,-3.0 2,-0.3 -2,-0.3 -51,-0.1 -0.107 54.6 152.5 -45.0 135.8 8.0 1.9 9.8 97 112 A H - 0 0 16 -57,-0.2 2,-0.4 -13,-0.2 -13,-0.3 -0.982 36.5-123.1-162.5 164.9 6.4 5.2 9.1 98 113 A L E -C 39 0A 8 -59,-2.5 -59,-2.2 -2,-0.3 2,-0.3 -0.902 14.9-146.6-119.4 136.1 5.8 7.8 6.4 99 114 A H E -CD 38 82A 24 -17,-3.1 -17,-1.9 -2,-0.4 2,-0.4 -0.775 8.5-166.6 -96.8 148.2 6.8 11.5 6.3 100 115 A V E -CD 37 81A 0 -63,-2.2 -63,-2.2 -2,-0.3 2,-0.4 -0.979 10.3-176.4-135.9 119.5 4.6 14.1 4.5 101 116 A L E +CD 36 80A 12 -21,-2.6 -21,-2.7 -2,-0.4 2,-0.3 -0.979 17.5 129.6-122.6 131.4 6.2 17.5 3.9 102 117 A G E +CD 35 79A 1 -67,-2.4 -67,-2.2 -2,-0.4 -23,-0.2 -0.906 26.6 91.6-159.6-175.4 4.5 20.6 2.3 103 118 A G S S+ 0 0 52 -25,-0.5 2,-0.3 -2,-0.3 -24,-0.1 0.467 95.7 48.6 93.6 1.9 3.8 24.3 2.6 104 119 A R S S- 0 0 96 -26,-0.1 2,-0.4 -69,-0.1 -1,-0.2 -0.949 102.1 -78.8-161.8 158.8 6.9 25.2 0.7 105 120 A Q - 0 0 154 -2,-0.3 2,-0.3 -3,-0.1 -3,-0.1 -0.570 46.1-140.8 -63.6 123.2 8.6 24.2 -2.6 106 121 A M - 0 0 27 -2,-0.4 2,-0.1 -5,-0.1 -73,-0.0 -0.707 21.7-137.5 -86.7 142.7 10.5 21.0 -2.0 107 122 A H - 0 0 125 -2,-0.3 -1,-0.1 2,-0.1 0, 0.0 -0.326 18.1 -85.1 -96.3 176.9 13.8 20.8 -3.7 108 123 A W S S+ 0 0 199 2,-0.1 0, 0.0 -2,-0.1 0, 0.0 -0.997 100.3 42.4-137.6 138.7 15.8 18.2 -5.7 109 124 A P S S- 0 0 92 0, 0.0 2,-1.8 0, 0.0 -2,-0.1 0.549 85.0-131.3 -65.8 166.5 17.6 16.0 -5.0 110 125 A P 0 0 76 0, 0.0 -2,-0.1 0, 0.0 -4,-0.0 -0.347 360.0 360.0 -85.3 54.6 15.4 14.8 -2.0 111 126 A G 0 0 117 -2,-1.8 -3,-0.1 0, 0.0 0, 0.0 0.544 360.0 360.0 93.4 360.0 18.5 14.7 0.2