==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ENDONUCLEASE 21-MAR-97 1AF5 . COMPND 2 MOLECULE: I-CREI; . SOURCE 2 ORGANISM_SCIENTIFIC: CHLAMYDOMONAS REINHARDTII; . AUTHOR P.J.HEATH,K.M.STEPHENS,R.J.MONNAT JUNIOR,B.L.STODDARD . 126 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8118.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 81 64.3 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 . 18 14.3 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 0.8 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-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 . 14 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 35 27.8 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 1 0 0 0 0 0 3 1 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 . 1 1 0 1 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 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 4 A K 0 0 85 0, 0.0 2,-0.3 0, 0.0 58,-0.0 0.000 360.0 360.0 360.0 126.0 3.9 21.4 24.1 2 5 A Y + 0 0 204 1,-0.1 82,-0.0 85,-0.0 81,-0.0 -0.992 360.0 144.3-131.5 137.6 2.1 18.2 25.3 3 6 A N + 0 0 45 -2,-0.3 2,-2.0 2,-0.0 -1,-0.1 0.486 4.8 155.5-134.8 -76.0 -0.2 18.2 28.4 4 7 A K + 0 0 102 1,-0.2 4,-0.5 2,-0.1 -1,-0.0 -0.063 67.5 74.1 63.7 -35.9 -3.4 16.0 28.6 5 8 A E S S+ 0 0 166 -2,-2.0 3,-0.4 1,-0.2 4,-0.2 0.972 115.7 17.9 -68.9 -55.6 -3.6 15.7 32.4 6 9 A F S > S+ 0 0 42 1,-0.2 4,-2.7 2,-0.2 3,-0.3 0.531 106.2 85.1 -91.6 -12.7 -4.8 19.3 33.0 7 10 A L H > S+ 0 0 0 1,-0.3 4,-0.9 2,-0.2 -1,-0.2 0.808 89.1 57.3 -54.7 -30.4 -6.0 19.7 29.4 8 11 A L H > S+ 0 0 98 -4,-0.5 4,-1.0 -3,-0.4 -1,-0.3 0.857 108.4 46.0 -65.7 -39.4 -9.1 18.1 30.8 9 12 A Y H >> S+ 0 0 115 -3,-0.3 4,-1.8 -4,-0.2 3,-1.1 0.967 107.8 51.7 -68.0 -60.9 -9.3 20.9 33.4 10 13 A L H 3X S+ 0 0 0 -4,-2.7 4,-1.8 1,-0.3 -1,-0.2 0.749 103.9 60.5 -51.1 -23.9 -8.8 23.8 31.2 11 14 A A H 3X S+ 0 0 3 -4,-0.9 4,-3.1 -5,-0.3 -1,-0.3 0.909 107.8 47.2 -69.0 -38.1 -11.6 22.5 28.9 12 15 A G H -C 70 0A 100 -2,-0.3 3,-1.6 25,-0.2 25,-0.3 -0.188 40.1-118.2 -48.7 142.6 -11.9 40.0 37.8 46 49 A T G > S+ 0 0 61 23,-1.9 3,-0.8 1,-0.3 -1,-0.2 0.713 110.4 84.1 -60.4 -14.2 -8.6 41.9 38.5 47 50 A Q G 3 S+ 0 0 148 22,-0.4 2,-0.4 1,-0.3 -1,-0.3 0.943 107.7 17.9 -47.5 -54.0 -9.4 40.7 42.0 48 51 A R G < + 0 0 81 -3,-1.6 3,-0.3 1,-0.1 -1,-0.3 -0.713 69.1 141.4-127.2 81.1 -7.8 37.4 41.0 49 52 A R <> + 0 0 129 -3,-0.8 4,-2.0 -2,-0.4 3,-0.3 0.551 59.9 87.7 -90.4 -12.2 -5.5 37.7 37.9 50 53 A W H > S+ 0 0 158 1,-0.3 4,-0.9 2,-0.3 -1,-0.2 0.774 89.1 50.1 -56.3 -29.8 -3.0 35.3 39.6 51 54 A F H > S+ 0 0 20 -3,-0.3 4,-2.2 2,-0.2 -1,-0.3 0.795 109.7 50.6 -73.1 -36.4 -5.1 32.5 38.1 52 55 A L H > S+ 0 0 0 -3,-0.3 4,-1.2 -4,-0.3 -2,-0.3 0.718 110.9 48.1 -70.6 -25.7 -4.8 34.4 34.8 53 56 A G H X S+ 0 0 8 -4,-2.0 4,-1.2 2,-0.2 -2,-0.2 0.730 110.5 52.3 -83.3 -25.9 -1.1 34.5 35.5 54 57 A K H X S+ 0 0 68 -4,-0.9 4,-3.0 -5,-0.3 5,-0.3 0.817 104.4 55.3 -73.2 -39.4 -1.3 30.7 36.2 55 58 A L H X S+ 0 0 0 -4,-2.2 4,-3.5 1,-0.2 5,-0.3 0.945 108.4 49.5 -57.2 -48.3 -3.1 30.1 32.9 56 59 A V H X S+ 0 0 20 -4,-1.2 4,-0.9 1,-0.2 -1,-0.2 0.830 115.8 41.8 -57.5 -43.8 -0.1 31.8 31.2 57 60 A D H < S+ 0 0 128 -4,-1.2 -1,-0.2 2,-0.2 -2,-0.2 0.800 117.8 45.4 -76.4 -35.6 2.4 29.7 33.1 58 61 A E H < S+ 0 0 72 -4,-3.0 -2,-0.2 1,-0.2 -3,-0.2 0.958 124.2 35.0 -70.1 -49.9 0.5 26.4 32.8 59 62 A I H < S- 0 0 3 -4,-3.5 2,-2.0 -5,-0.3 -2,-0.2 0.666 97.2-154.4 -75.2 -17.9 -0.2 27.1 29.1 60 63 A G < + 0 0 53 -4,-0.9 2,-0.3 -5,-0.3 -1,-0.2 -0.410 66.7 75.3 79.5 -61.6 3.3 28.8 28.8 61 64 A V S S+ 0 0 48 -2,-2.0 2,-0.3 -6,-0.1 -2,-0.1 -0.633 75.5 50.6 -84.5 135.9 2.5 31.0 25.9 62 65 A G - 0 0 32 -2,-0.3 2,-0.3 13,-0.1 13,-0.2 -0.893 61.6-106.7 137.9-174.2 0.4 34.1 26.3 63 66 A Y - 0 0 112 11,-0.5 11,-2.5 -2,-0.3 2,-0.4 -0.978 17.6-121.7-157.2 150.7 -0.1 37.3 28.3 64 67 A V E -D 73 0A 40 -2,-0.3 2,-0.5 9,-0.2 9,-0.2 -0.824 25.1-150.0 -92.4 141.2 -2.4 38.9 30.9 65 68 A R E -D 72 0A 100 7,-1.8 7,-1.5 -2,-0.4 2,-0.9 -0.948 5.0-144.6-118.9 114.1 -4.2 42.2 29.9 66 69 A D E +D 71 0A 125 -2,-0.5 5,-0.2 5,-0.2 2,-0.1 -0.688 28.7 163.2 -82.0 108.7 -5.1 44.8 32.6 67 70 A R E > -D 70 0A 133 3,-2.0 3,-0.7 -2,-0.9 2,-0.4 -0.478 56.1 -93.1-120.5 55.7 -8.4 46.4 31.6 68 71 A G T 3 S+ 0 0 48 1,-0.2 -1,-0.2 -2,-0.1 -22,-0.1 -0.577 107.8 10.1 74.5-131.8 -9.5 48.1 34.8 69 72 A S T 3 S+ 0 0 95 -2,-0.4 -23,-1.9 -24,-0.1 -22,-0.4 0.525 135.6 43.5 -63.3 -3.6 -11.8 46.0 37.1 70 73 A V E < -CD 45 67A 39 -3,-0.7 -3,-2.0 -25,-0.3 2,-0.3 -0.974 64.4-171.1-141.5 152.0 -11.1 43.0 34.9 71 74 A S E - D 0 66A 2 -27,-1.9 -27,-0.5 -2,-0.3 2,-0.3 -0.861 13.0-152.0-134.4 166.8 -7.9 41.6 33.3 72 75 A D E - D 0 65A 0 -7,-1.5 -7,-1.8 -2,-0.3 2,-0.4 -0.966 19.6-129.5-158.4 143.8 -7.5 38.8 30.7 73 76 A Y E -BD 42 64A 0 -31,-2.9 -31,-1.6 -2,-0.3 2,-0.5 -0.680 28.6-174.2 -80.1 129.6 -5.3 36.1 29.4 74 77 A I E -B 41 0A 3 -11,-2.5 -11,-0.5 -2,-0.4 -33,-0.2 -0.955 13.5-171.7-131.6 108.2 -5.0 36.3 25.6 75 78 A L - 0 0 7 -35,-1.7 -1,-0.2 -2,-0.5 -34,-0.1 0.998 33.3-157.7 -57.5 -71.7 -3.2 33.6 23.8 76 79 A S + 0 0 32 -36,-0.3 5,-0.2 -38,-0.1 -37,-0.2 0.703 29.8 1.4 89.9 121.3 -3.1 35.3 20.4 77 80 A E S > S- 0 0 51 -39,-1.0 4,-0.9 1,-0.2 5,-0.2 0.816 84.9 -70.4 44.2 134.6 -2.8 34.3 16.8 78 81 A I H > S+ 0 0 65 1,-0.2 4,-1.7 3,-0.2 5,-0.2 0.396 108.0 79.5 -5.7 -44.5 -2.4 31.0 15.0 79 82 A K H >> S+ 0 0 154 1,-0.2 4,-0.6 2,-0.2 3,-0.6 0.940 116.7 8.9 -47.3 -72.1 1.1 30.1 16.1 80 83 A P H 3> S+ 0 0 19 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.598 120.4 78.7 -84.6 -12.9 0.6 28.7 19.6 81 84 A L H 3X S+ 0 0 0 -4,-0.9 4,-1.4 -5,-0.2 5,-0.2 0.735 92.0 48.3 -64.5 -30.9 -3.1 28.9 19.0 82 85 A H H X S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 3,-1.4 0.995 116.0 43.7 -73.3 -70.7 -3.4 24.5 22.2 85 88 A L H 3X S+ 0 0 1 -4,-1.4 4,-2.6 1,-0.3 -3,-0.2 0.863 113.4 54.6 -42.8 -45.9 -6.8 24.4 20.6 86 89 A T H 3< S+ 0 0 75 -4,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.769 113.1 42.2 -58.7 -35.9 -6.0 21.1 18.9 87 90 A Q H << S+ 0 0 23 -3,-1.4 -1,-0.2 -4,-0.7 -2,-0.2 0.784 116.2 47.5 -80.3 -37.9 -5.1 19.6 22.2 88 91 A L H >< S+ 0 0 0 -4,-2.2 3,-2.6 1,-0.2 -2,-0.2 0.993 93.3 79.3 -65.9 -64.5 -8.0 21.0 24.1 89 92 A Q G >< S+ 0 0 63 -4,-2.6 3,-1.9 1,-0.3 -1,-0.2 0.520 80.8 62.7 -14.3 -58.0 -10.7 20.1 21.6 90 93 A P G 3 S+ 0 0 66 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.567 98.6 58.6 -58.7 -6.0 -11.1 16.4 22.5 91 94 A F G < S+ 0 0 58 -3,-2.6 -2,-0.2 1,-0.1 5,-0.1 -0.043 84.0 143.1-112.7 33.9 -12.3 17.6 25.9 92 95 A L < + 0 0 74 -3,-1.9 2,-0.7 1,-0.2 4,-0.3 0.800 6.4 135.1 -29.2-103.8 -15.0 19.5 24.2 93 96 A K S S+ 0 0 193 1,-0.2 -1,-0.2 3,-0.2 -81,-0.1 -0.560 79.7 4.3 76.6-101.7 -18.5 19.7 25.8 94 97 A L S S+ 0 0 89 -2,-0.7 3,-0.2 -83,-0.2 -1,-0.2 0.909 137.4 18.9 -77.5 -91.4 -19.9 23.3 25.6 95 98 A K S >> S+ 0 0 63 1,-0.2 3,-0.7 -84,-0.2 4,-0.5 0.425 96.5 94.9 -65.8 -2.3 -17.6 25.7 23.7 96 99 A Q H 3> + 0 0 9 -4,-0.3 4,-0.5 1,-0.2 -1,-0.2 0.052 63.6 82.5 -81.9 28.6 -15.6 23.1 21.8 97 100 A K H 3> S+ 0 0 128 -3,-0.2 4,-1.5 2,-0.1 3,-0.3 0.840 102.3 34.3 -87.6 -51.2 -17.9 23.5 18.8 98 101 A Q H <> S+ 0 0 29 -3,-0.7 4,-2.7 2,-0.2 5,-0.3 0.520 99.9 79.9 -78.0 -13.9 -16.0 26.5 17.7 99 102 A A H X S+ 0 0 0 -4,-0.5 4,-2.5 2,-0.2 3,-0.3 0.998 107.1 33.9 -55.3 -53.4 -12.8 24.9 19.1 100 103 A N H X S+ 0 0 66 -4,-0.5 4,-2.4 -3,-0.3 -2,-0.2 0.913 113.8 57.7 -62.6 -52.0 -13.0 23.0 15.8 101 104 A L H X S+ 0 0 16 -4,-1.5 4,-1.5 1,-0.2 -1,-0.2 0.842 112.5 43.0 -48.8 -37.5 -14.5 25.9 13.8 102 105 A V H X S+ 0 0 1 -4,-2.7 4,-2.7 -3,-0.3 -2,-0.2 0.947 109.8 54.4 -74.5 -50.1 -11.5 28.0 14.7 103 106 A L H < S+ 0 0 15 -4,-2.5 -2,-0.2 -5,-0.3 -1,-0.2 0.784 106.3 57.2 -51.1 -30.6 -9.1 25.1 14.1 104 107 A K H >< S+ 0 0 96 -4,-2.4 3,-1.1 1,-0.2 -1,-0.2 0.969 108.3 42.6 -64.6 -57.7 -10.7 25.0 10.6 105 108 A I H 3< S+ 0 0 11 -4,-1.5 -2,-0.2 1,-0.3 -1,-0.2 0.885 99.2 72.2 -56.4 -42.7 -9.9 28.7 9.8 106 109 A I T 3< S+ 0 0 13 -4,-2.7 -1,-0.3 -5,-0.1 2,-0.3 0.312 100.4 70.0 -59.7 15.4 -6.4 28.3 11.3 107 110 A E S < S+ 0 0 106 -3,-1.1 -3,-0.0 -5,-0.2 0, 0.0 -0.845 90.1 6.7-137.3 166.1 -5.9 26.3 8.1 108 111 A Q + 0 0 172 -2,-0.3 -1,-0.2 1,-0.1 -2,-0.0 0.759 63.6 161.9 29.7 70.6 -5.6 26.3 4.3 109 112 A L 0 0 116 -3,-0.1 -1,-0.1 5,-0.1 -4,-0.0 -0.558 360.0 360.0-117.0 69.6 -5.5 30.0 3.7 110 113 A P 0 0 163 0, 0.0 4,-0.0 0, 0.0 -2,-0.0 -0.745 360.0 360.0 -99.6 360.0 -4.1 30.9 0.2 111 ! 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 0.0 112 123 A L 0 0 184 0, 0.0 3,-0.1 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 30.8 -14.3 31.6 -1.2 113 124 A E > + 0 0 116 1,-0.3 3,-0.5 2,-0.1 4,-0.3 0.272 360.0 108.3 69.4 -14.2 -15.4 29.5 1.8 114 125 A V T 3 S+ 0 0 59 1,-0.3 -1,-0.3 2,-0.1 -5,-0.1 -0.661 81.8 13.6 -86.7 152.2 -12.4 31.2 3.3 115 126 A C T 3 S+ 0 0 68 -2,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.922 103.4 98.9 41.9 54.8 -13.2 33.9 5.9 116 127 A T <> + 0 0 52 -3,-0.5 4,-1.1 -4,-0.1 3,-0.4 0.440 60.6 72.3-135.5 -23.6 -16.8 32.6 6.2 117 128 A W H > S+ 0 0 51 -4,-0.3 4,-1.0 1,-0.2 -3,-0.1 0.832 83.7 73.6 -67.0 -34.3 -16.6 30.5 9.3 118 129 A V H >4 S+ 0 0 16 2,-0.2 3,-0.7 1,-0.2 -1,-0.2 0.877 98.2 42.1 -47.0 -54.9 -16.3 33.5 11.5 119 130 A D H >4 S+ 0 0 106 -3,-0.4 3,-0.5 1,-0.3 -1,-0.2 0.907 108.2 60.4 -63.6 -39.4 -19.9 34.6 11.2 120 131 A Q H 3< S+ 0 0 113 -4,-1.1 2,-1.1 1,-0.3 -1,-0.3 0.794 89.5 74.9 -56.5 -23.1 -20.9 31.1 11.5 121 132 A I T << + 0 0 6 -4,-1.0 2,-1.7 -3,-0.7 -1,-0.3 -0.168 65.9 152.9 -82.6 44.5 -19.0 31.6 14.9 122 133 A A < + 0 0 66 -2,-1.1 2,-0.6 -3,-0.5 -3,-0.1 -0.616 11.5 163.1 -78.1 81.7 -22.1 33.5 16.0 123 134 A A S S- 0 0 59 -2,-1.7 -1,-0.1 -25,-0.0 3,-0.1 -0.574 92.3 -53.9 -97.2 56.9 -21.9 32.8 19.7 124 135 A L S S+ 0 0 168 -2,-0.6 2,-0.5 1,-0.3 -2,-0.1 0.685 102.6 142.8 75.7 26.8 -24.4 35.7 19.9 125 136 A N - 0 0 96 -6,-0.2 2,-0.5 -4,-0.1 -1,-0.3 -0.852 43.1-138.7 -96.4 125.0 -22.2 38.1 17.9 126 137 A D 0 0 153 -2,-0.5 -7,-0.0 1,-0.1 -3,-0.0 -0.777 360.0 360.0 -96.7 131.9 -24.2 40.4 15.6 127 138 A S 0 0 149 -2,-0.5 -1,-0.1 -8,-0.1 -8,-0.1 0.122 360.0 360.0 61.1 360.0 -23.3 41.3 12.0