==== 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 CELL CYCLE 01-JUN-07 2JQI . COMPND 2 MOLECULE: SERINE/THREONINE-PROTEIN KINASE RAD53; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR C.YUAN,A.MAHAJAN,M.TSAI . 161 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11426.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 97 60.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 3 1.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 41 25.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 . 19 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 19 11.8 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 0 0 1 0 0 2 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 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 PARALLEL BRIDGES PER LADDER . 0 1 2 2 2 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 1 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 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 14 A A 0 0 106 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 108.2 -36.5 8.8 -22.0 2 15 A T > + 0 0 118 3,-0.0 4,-1.0 4,-0.0 0, 0.0 0.587 360.0 31.6-128.7 -61.1 -37.1 7.9 -18.4 3 16 A Q H > S+ 0 0 159 2,-0.2 4,-1.2 1,-0.2 3,-0.4 0.902 118.8 54.5 -70.9 -42.6 -36.5 4.2 -17.6 4 17 A R H > S+ 0 0 172 1,-0.2 4,-1.7 2,-0.2 3,-0.4 0.877 102.8 58.0 -59.0 -39.1 -33.8 3.9 -20.3 5 18 A F H > S+ 0 0 115 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.880 101.7 55.1 -59.2 -39.1 -31.9 6.8 -18.7 6 19 A L H X S+ 0 0 127 -4,-1.0 4,-0.7 -3,-0.4 -1,-0.2 0.827 106.4 51.9 -63.8 -32.0 -31.8 4.9 -15.4 7 20 A I H X S+ 0 0 93 -4,-1.2 4,-1.2 -3,-0.4 3,-0.3 0.850 101.0 61.0 -73.0 -35.5 -30.2 2.0 -17.2 8 21 A E H >X S+ 0 0 90 -4,-1.7 4,-2.0 1,-0.3 3,-0.5 0.921 105.0 47.6 -57.4 -45.3 -27.5 4.2 -18.8 9 22 A K H 3< S+ 0 0 146 -4,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.750 99.4 72.7 -67.1 -23.8 -26.2 5.1 -15.3 10 23 A F H 3< S+ 0 0 165 -4,-0.7 3,-0.3 -3,-0.3 -1,-0.2 0.921 108.6 29.8 -56.6 -47.6 -26.3 1.4 -14.5 11 24 A S H << S+ 0 0 99 -4,-1.2 2,-1.1 -3,-0.5 -2,-0.2 0.855 121.4 54.5 -80.8 -38.3 -23.3 0.7 -16.6 12 25 A Q S < S+ 0 0 128 -4,-2.0 2,-0.4 -5,-0.2 -1,-0.2 -0.641 75.6 165.4 -99.1 76.2 -21.7 4.1 -16.1 13 26 A E - 0 0 136 -2,-1.1 2,-0.9 -3,-0.3 -3,-0.1 -0.771 45.2-110.7 -95.8 135.7 -21.6 4.4 -12.3 14 27 A Q - 0 0 190 -2,-0.4 2,-0.3 -5,-0.1 3,-0.1 -0.493 39.5-157.7 -66.5 101.9 -19.4 7.0 -10.6 15 28 A I + 0 0 102 -2,-0.9 -1,-0.0 1,-0.2 -3,-0.0 -0.645 61.1 64.9 -87.0 138.5 -16.6 5.0 -9.1 16 29 A G + 0 0 20 -2,-0.3 -1,-0.2 121,-0.0 -2,-0.0 0.651 44.2 148.5 121.5 36.6 -14.7 6.4 -6.2 17 30 A E S S- 0 0 153 -3,-0.1 -2,-0.1 1,-0.1 19,-0.0 0.914 93.2 -43.6 -62.6 -44.0 -17.2 6.7 -3.3 18 31 A N S S+ 0 0 40 20,-0.1 19,-2.1 17,-0.1 2,-0.2 0.053 86.6 165.7 178.6 38.5 -14.5 6.0 -0.7 19 32 A I E -A 36 0A 17 17,-0.3 17,-0.3 1,-0.2 119,-0.2 -0.514 20.1-175.9 -76.4 136.1 -12.5 3.2 -2.2 20 33 A V E - 0 0 3 15,-3.0 115,-1.3 1,-0.4 2,-0.3 0.893 67.1 -18.0 -92.3 -60.0 -9.2 2.2 -0.8 21 34 A C E -AB 35 134A 0 14,-1.3 14,-3.0 113,-0.2 2,-0.5 -0.933 57.8-129.8-146.0 165.3 -8.0 -0.5 -3.2 22 35 A R E -AB 34 133A 86 111,-2.6 111,-3.8 -2,-0.3 2,-0.5 -0.976 12.8-147.2-127.4 122.8 -9.5 -2.9 -5.7 23 36 A V E -AB 33 132A 2 10,-1.1 10,-1.9 -2,-0.5 2,-0.5 -0.761 19.4-178.2 -90.3 122.9 -8.9 -6.7 -5.7 24 37 A I E - B 0 131A 31 107,-3.8 107,-2.8 -2,-0.5 2,-0.5 -0.972 20.6-140.7-126.3 120.5 -8.9 -8.2 -9.2 25 38 A C E - B 0 130A 17 5,-0.6 105,-0.2 -2,-0.5 3,-0.1 -0.665 17.5-179.4 -80.8 121.3 -8.4 -11.9 -9.9 26 39 A T S S+ 0 0 83 -2,-0.5 -1,-0.2 103,-0.5 104,-0.1 0.728 79.6 60.5 -90.6 -26.2 -6.3 -12.5 -13.0 27 40 A T S S- 0 0 65 102,-0.9 -1,-0.2 3,-0.0 103,-0.1 0.490 112.7-116.8 -79.9 -2.2 -6.4 -16.3 -12.8 28 41 A G S S+ 0 0 65 2,-0.2 -2,-0.1 101,-0.2 -4,-0.0 0.998 81.6 106.4 64.3 76.5 -10.2 -16.1 -13.2 29 42 A Q S S+ 0 0 103 1,-0.4 -3,-0.0 100,-0.1 99,-0.0 0.431 70.3 43.4-146.3 -42.9 -11.6 -17.6 -10.0 30 43 A I S S- 0 0 10 36,-0.0 -5,-0.6 3,-0.0 -1,-0.4 -0.923 82.7-112.0-117.7 141.3 -13.0 -14.8 -7.9 31 44 A P - 0 0 94 0, 0.0 33,-0.1 0, 0.0 -8,-0.1 -0.439 43.9 -93.9 -71.8 141.1 -15.1 -11.8 -9.0 32 45 A I - 0 0 90 -2,-0.1 2,-0.3 -7,-0.1 -8,-0.2 -0.268 48.8-173.5 -55.9 133.6 -13.6 -8.3 -8.8 33 46 A R E -A 23 0A 120 -10,-1.9 -10,-1.1 -3,-0.1 2,-0.5 -0.838 19.8-127.6-127.1 164.0 -14.4 -6.5 -5.6 34 47 A D E -A 22 0A 58 -2,-0.3 2,-0.4 -12,-0.2 -12,-0.2 -0.954 13.5-151.9-120.9 119.8 -13.7 -3.0 -4.2 35 48 A L E +A 21 0A 4 -14,-3.0 -15,-3.0 -2,-0.5 -14,-1.3 -0.720 24.4 178.1 -87.2 130.5 -12.1 -2.3 -0.9 36 49 A S E +A 19 0A 35 -2,-0.4 2,-0.3 -17,-0.3 -17,-0.3 -0.963 13.5 174.1-137.9 156.0 -13.1 0.9 0.8 37 50 A A - 0 0 4 -19,-2.1 2,-0.4 -2,-0.3 14,-0.0 -0.949 40.6 -85.5-149.7 165.8 -12.5 2.9 3.9 38 51 A D > - 0 0 83 -2,-0.3 4,-1.9 1,-0.1 5,-0.1 -0.646 25.8-153.8 -81.3 126.7 -13.3 6.3 5.4 39 52 A I H > S+ 0 0 43 -2,-0.4 4,-3.1 2,-0.2 5,-0.3 0.894 95.8 51.1 -64.4 -43.3 -10.9 9.1 4.5 40 53 A S H > S+ 0 0 83 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.891 111.7 48.0 -62.5 -40.1 -11.6 11.1 7.6 41 54 A Q H > S+ 0 0 104 2,-0.2 4,-2.2 3,-0.2 -1,-0.2 0.859 114.7 45.9 -68.5 -36.9 -10.9 8.0 9.7 42 55 A V H < S+ 0 0 4 -4,-1.9 -2,-0.2 2,-0.2 42,-0.2 0.898 117.0 43.0 -73.1 -42.5 -7.7 7.3 7.8 43 56 A L H < S+ 0 0 87 -4,-3.1 -2,-0.2 1,-0.2 -3,-0.2 0.881 121.0 41.3 -70.9 -39.4 -6.5 10.9 7.9 44 57 A K H < S+ 0 0 183 -4,-2.6 2,-0.5 -5,-0.3 -2,-0.2 0.886 110.4 64.2 -75.2 -40.8 -7.4 11.3 11.6 45 58 A E < + 0 0 95 -4,-2.2 5,-0.1 -5,-0.3 -1,-0.1 -0.752 49.6 156.4 -89.9 126.0 -6.2 7.9 12.6 46 59 A K + 0 0 130 -2,-0.5 2,-0.3 37,-0.1 -1,-0.1 -0.066 52.3 73.1-137.8 33.1 -2.5 7.3 12.3 47 60 A R S S- 0 0 174 2,-0.1 2,-1.9 35,-0.1 -2,-0.0 -0.989 98.8 -9.9-147.9 153.6 -1.9 4.5 14.8 48 61 A S S S- 0 0 116 -2,-0.3 2,-0.3 33,-0.0 34,-0.1 -0.379 112.5 -55.9 61.2 -85.0 -2.6 0.7 15.1 49 62 A I - 0 0 47 -2,-1.9 32,-0.2 1,-0.1 -2,-0.1 -0.950 33.0-148.1-179.0 161.6 -4.9 0.5 12.1 50 63 A K S S- 0 0 35 30,-1.9 2,-0.3 -2,-0.3 31,-0.2 0.813 77.6 -11.0-106.5 -68.5 -8.0 1.8 10.4 51 64 A K E -F 80 0B 100 29,-1.2 29,-1.3 2,-0.0 2,-0.4 -0.929 59.8-168.6-145.9 117.9 -9.8 -0.9 8.4 52 65 A V E -F 79 0B 47 -2,-0.3 2,-0.4 27,-0.2 27,-0.3 -0.872 11.0-144.4-111.3 140.1 -8.6 -4.3 7.3 53 66 A W E -F 78 0B 11 25,-4.0 25,-3.3 -2,-0.4 2,-0.5 -0.805 7.6-149.4-100.7 139.3 -10.0 -6.7 4.8 54 67 A T E -F 77 0B 30 -2,-0.4 9,-1.7 23,-0.3 8,-0.5 -0.910 14.1-167.5-110.7 131.4 -10.0 -10.5 5.2 55 68 A F E +Fg 76 63B 1 21,-4.3 21,-1.8 -2,-0.5 20,-0.3 -0.918 31.0 86.0-120.2 145.6 -9.8 -12.7 2.1 56 69 A G E S- g 0 64B 0 7,-2.2 9,-1.7 -2,-0.4 18,-0.2 -0.980 86.0 -55.6 160.4-169.2 -10.4 -16.5 1.8 57 70 A R S S+ 0 0 20 15,-1.3 16,-0.2 -2,-0.3 17,-0.2 0.386 95.2 109.7 -82.0 3.7 -12.9 -19.3 1.2 58 71 A N - 0 0 41 15,-2.6 -2,-0.2 14,-0.3 5,-0.1 -0.673 68.1-142.6 -84.8 132.7 -14.8 -18.1 4.3 59 72 A P S S+ 0 0 100 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 0.655 104.9 55.7 -65.9 -13.3 -18.3 -16.5 3.7 60 73 A A S S+ 0 0 79 3,-0.1 -6,-0.1 13,-0.0 4,-0.1 0.877 84.9 100.2 -82.7 -42.9 -17.3 -14.1 6.6 61 74 A C S S- 0 0 10 1,-0.2 -6,-0.2 12,-0.1 -5,-0.1 -0.077 86.3-121.2 -44.5 137.5 -14.2 -13.0 4.9 62 75 A D S S+ 0 0 72 -8,-0.5 2,-0.5 1,-0.2 -7,-0.2 0.706 104.9 50.7 -56.7 -18.1 -14.5 -9.7 3.2 63 76 A Y E S-g 55 0B 3 -9,-1.7 -7,-2.2 -5,-0.1 2,-0.7 -0.970 72.6-159.3-129.1 119.4 -13.4 -11.7 0.1 64 77 A H E +g 56 0B 77 -2,-0.5 -7,-0.2 1,-0.2 3,-0.1 -0.852 20.2 163.2-100.0 111.4 -15.1 -14.9 -1.0 65 78 A L - 0 0 19 -9,-1.7 -1,-0.2 -2,-0.7 -8,-0.2 0.937 50.3-101.8 -88.1 -65.8 -13.0 -17.0 -3.3 66 79 A G - 0 0 33 2,-0.1 -1,-0.1 -36,-0.1 -36,-0.0 -0.363 54.7 -58.6 179.1 -90.6 -14.5 -20.5 -3.3 67 80 A N + 0 0 128 -2,-0.1 2,-0.4 -3,-0.1 6,-0.1 0.021 53.6 176.0 178.8 54.3 -13.2 -23.4 -1.3 68 81 A I - 0 0 42 1,-0.1 -11,-0.1 4,-0.1 -2,-0.1 -0.575 27.8-143.0 -75.1 126.7 -9.6 -24.3 -2.3 69 82 A S S S+ 0 0 53 -2,-0.4 87,-1.2 1,-0.2 -1,-0.1 0.879 103.3 46.7 -54.9 -40.8 -8.2 -27.1 -0.1 70 83 A R S S+ 0 0 42 85,-0.1 24,-0.3 50,-0.1 -1,-0.2 0.915 103.6 72.7 -68.8 -44.9 -4.8 -25.4 -0.2 71 84 A L S S- 0 0 0 48,-0.1 85,-0.2 49,-0.1 2,-0.2 -0.387 81.3-128.4 -73.0 150.1 -6.2 -22.0 0.7 72 85 A S > - 0 0 3 83,-0.1 -15,-1.3 -2,-0.1 3,-0.9 -0.509 28.9 -97.2 -95.7 166.8 -7.5 -21.2 4.2 73 86 A N T 3 S+ 0 0 52 1,-0.3 -15,-2.6 -17,-0.2 2,-0.5 0.920 127.3 20.0 -43.8 -53.1 -10.8 -19.8 5.3 74 87 A K T 3 S+ 0 0 102 -18,-0.2 -18,-0.3 17,-0.2 -1,-0.3 -0.810 78.9 171.5-120.9 81.8 -9.1 -16.4 5.5 75 88 A H < + 0 0 0 -3,-0.9 16,-1.4 -2,-0.5 2,-0.3 0.902 65.3 4.4 -60.4 -46.1 -6.1 -16.9 3.3 76 89 A F E -FH 55 90B 2 -21,-1.8 -21,-4.3 14,-0.2 2,-0.3 -0.957 60.8-154.1-142.4 160.2 -5.0 -13.3 3.4 77 90 A Q E -FH 54 89B 37 12,-4.0 12,-3.5 -2,-0.3 2,-0.5 -0.991 5.8-151.9-136.0 143.9 -5.9 -9.9 4.9 78 91 A I E -FH 53 88B 1 -25,-3.3 -25,-4.0 -2,-0.3 2,-0.4 -0.964 11.7-166.1-120.0 125.7 -5.4 -6.3 3.9 79 92 A L E -FH 52 87B 15 8,-1.8 8,-3.1 -2,-0.5 2,-0.5 -0.911 5.8-154.4-114.2 137.3 -5.0 -3.4 6.4 80 93 A L E +FH 51 86B 6 -29,-1.3 -30,-1.9 -2,-0.4 -29,-1.2 -0.922 47.0 87.1-110.9 128.8 -5.2 0.3 5.6 81 94 A G E >> + H 0 85B 0 4,-1.7 4,-2.0 -2,-0.5 3,-0.8 -0.693 29.4 105.0-174.0-130.7 -3.5 2.8 7.8 82 95 A E T 34 S- 0 0 83 1,-0.2 2,-1.2 -2,-0.2 -35,-0.1 -0.026 98.8 -39.5 56.0-165.3 -0.1 4.5 8.2 83 96 A D T 34 S- 0 0 129 1,-0.2 -1,-0.2 -37,-0.1 -37,-0.1 -0.336 123.8 -40.4 -88.7 53.6 0.3 8.1 7.1 84 97 A G T <4 S+ 0 0 24 -2,-1.2 2,-0.3 -3,-0.8 -1,-0.2 0.843 113.9 109.5 93.7 40.6 -1.9 7.7 4.0 85 98 A N E < -H 81 0B 63 -4,-2.0 -4,-1.7 25,-0.0 -1,-0.3 -0.928 59.3-120.3-142.0 165.1 -0.8 4.3 2.8 86 99 A L E -H 80 0B 9 -2,-0.3 25,-1.7 -6,-0.2 2,-0.3 -0.737 19.3-155.7-107.5 157.0 -2.0 0.7 2.6 87 100 A L E -HI 79 110B 13 -8,-3.1 -8,-1.8 -2,-0.3 2,-0.5 -0.972 7.7-142.0-133.1 147.1 -0.7 -2.5 4.1 88 101 A L E -HI 78 109B 20 21,-2.0 21,-0.9 -2,-0.3 2,-0.6 -0.935 13.3-166.8-112.6 125.7 -1.0 -6.2 3.2 89 102 A N E -HI 77 108B 22 -12,-3.5 -12,-4.0 -2,-0.5 2,-0.3 -0.933 10.6-148.0-116.7 115.6 -1.3 -8.8 5.8 90 103 A D E +H 76 0B 2 17,-0.7 16,-3.7 -2,-0.6 -14,-0.2 -0.615 23.6 166.8 -80.4 132.6 -0.9 -12.5 4.9 91 104 A I + 0 0 22 -16,-1.4 2,-0.3 -2,-0.3 -17,-0.2 -0.154 27.8 128.1-139.6 41.5 -3.0 -14.9 7.0 92 105 A S - 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