==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 22-JUL-11 3T1I . COMPND 2 MOLECULE: DOUBLE-STRAND BREAK REPAIR PROTEIN MRE11A; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Y.B.PARK,J.CHAE,Y.KIM,Y.CHO . 1517 8 2 0 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 70236.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 978 64.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 196 12.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 136 9.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 0.5 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 . 8 0.5 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 . 152 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 120 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 292 19.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 1.1 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 4 0 0 4 4 4 0 0 0 0 0 8 0 0 0 0 0 0 0 4 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 16 12 0 0 8 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 . 8 4 4 0 4 4 0 4 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 . 4 4 0 0 4 4 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 7 A L 0 0 188 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -73.2 60.6 79.9 58.6 2 8 A D > + 0 0 85 2,-0.1 3,-2.0 1,-0.1 0, 0.0 0.679 360.0 68.0 -86.5 -30.1 60.3 82.7 61.3 3 9 A D G > S+ 0 0 86 1,-0.3 3,-1.7 2,-0.2 -1,-0.1 0.721 83.3 73.0 -63.2 -19.4 63.7 81.6 62.5 4 10 A E G 3 S+ 0 0 125 1,-0.3 -1,-0.3 3,-0.1 -2,-0.1 0.495 98.3 47.9 -76.6 -1.1 65.1 83.0 59.2 5 11 A N G < S+ 0 0 45 -3,-2.0 263,-0.6 144,-0.2 2,-0.5 0.163 100.0 88.3-113.6 14.0 64.4 86.5 60.7 6 12 A T E < -A 267 0A 9 -3,-1.7 2,-0.5 261,-0.1 261,-0.2 -0.950 67.3-142.6-121.5 126.2 66.1 85.7 64.0 7 13 A F E -A 266 0A 0 259,-2.8 259,-1.5 -2,-0.5 2,-0.6 -0.690 12.0-160.4 -77.6 124.7 69.7 86.1 64.9 8 14 A K E -A 265 0A 31 -2,-0.5 39,-3.3 257,-0.2 40,-1.1 -0.956 18.5-179.1-103.3 122.0 71.0 83.3 67.2 9 15 A I E -Ab 264 48A 0 255,-3.1 255,-2.8 -2,-0.6 2,-0.5 -0.969 25.6-145.1-128.2 125.9 74.1 84.5 68.9 10 16 A L E -Ab 263 49A 0 38,-1.5 40,-2.9 -2,-0.4 2,-0.5 -0.763 24.5-158.9 -86.0 129.1 76.5 82.8 71.4 11 17 A V E +Ab 262 50A 0 251,-2.5 251,-2.5 -2,-0.5 2,-0.3 -0.927 22.8 148.4-118.5 127.6 77.7 85.3 73.8 12 18 A A E - b 0 51A 4 38,-2.2 40,-1.7 -2,-0.5 2,-0.3 -0.976 16.4-174.1-152.3 160.4 80.9 84.9 75.9 13 19 A T + 0 0 3 231,-0.3 233,-0.2 -2,-0.3 41,-0.1 -0.993 59.2 21.5-158.6 153.9 83.7 87.0 77.4 14 20 A D + 0 0 0 39,-2.5 232,-1.6 -2,-0.3 233,-0.4 0.930 55.7 162.7 52.8 56.0 87.0 86.7 79.3 15 21 A I - 0 0 2 38,-0.5 40,-0.2 230,-0.2 39,-0.1 0.773 30.3-155.5 -73.4 -27.2 87.7 83.2 78.2 16 22 A H > - 0 0 0 38,-2.5 3,-1.9 37,-0.2 40,-0.3 0.849 9.8-153.3 54.4 45.1 91.3 83.8 79.2 17 23 A L B 3 S+f 56 0B 2 38,-3.1 40,-2.8 1,-0.3 41,-0.5 -0.156 73.6 18.1 -49.9 130.4 93.0 81.2 77.0 18 24 A G T > S+ 0 0 3 1,-0.3 3,-1.5 38,-0.2 -1,-0.3 0.498 80.0 161.1 88.1 4.7 96.3 79.8 78.2 19 25 A F T < S- 0 0 19 -3,-1.9 11,-0.4 1,-0.3 -1,-0.3 -0.456 78.8 -5.3 -62.4 124.4 95.7 81.0 81.8 20 26 A X T 3 S+ 0 0 78 -2,-0.2 3,-0.3 -3,-0.1 -1,-0.3 0.917 86.3 166.8 51.7 49.3 98.1 79.0 84.0 21 27 A E S < S+ 0 0 36 -3,-1.5 -2,-0.1 1,-0.2 -1,-0.1 0.882 70.2 44.9 -58.9 -41.6 99.0 77.0 80.9 22 28 A K S S+ 0 0 201 -4,-0.2 -1,-0.2 4,-0.1 5,-0.1 0.670 83.4 110.8 -84.2 -22.5 102.1 75.5 82.6 23 29 A D > - 0 0 73 -3,-0.3 4,-1.0 1,-0.1 5,-0.1 -0.254 68.9-133.1 -55.3 142.0 100.5 74.5 85.9 24 30 A A T 4 S+ 0 0 104 2,-0.1 -1,-0.1 1,-0.1 4,-0.1 0.904 97.5 29.3 -68.0 -43.6 100.2 70.8 86.3 25 31 A V T 4 S+ 0 0 54 1,-0.1 3,-0.4 342,-0.1 -1,-0.1 0.945 130.1 30.6 -81.4 -54.1 96.6 70.6 87.5 26 32 A R T >4 S+ 0 0 22 1,-0.2 3,-1.6 341,-0.1 4,-0.4 0.436 87.2 101.8 -90.5 -2.3 94.9 73.7 86.0 27 33 A G T 3< S+ 0 0 6 -4,-1.0 4,-0.2 1,-0.3 -1,-0.2 0.655 85.1 42.6 -68.1 -18.5 96.8 74.1 82.7 28 34 A N T 3> S+ 0 0 87 -3,-0.4 4,-1.7 -4,-0.1 -1,-0.3 0.444 87.1 100.1-103.9 -0.7 94.2 72.6 80.4 29 35 A D H X> S+ 0 0 20 -3,-1.6 4,-2.5 1,-0.2 3,-0.8 0.931 82.4 42.9 -44.1 -67.8 91.2 74.3 82.0 30 36 A T H 3> S+ 0 0 0 -4,-0.4 4,-2.7 -11,-0.4 -1,-0.2 0.836 112.0 54.4 -57.9 -37.6 90.7 77.2 79.6 31 37 A F H 3> S+ 0 0 7 -4,-0.2 4,-1.2 2,-0.2 -1,-0.3 0.827 111.1 45.8 -67.5 -31.0 91.2 74.9 76.5 32 38 A V H S+ 0 0 1 -4,-2.5 5,-2.1 -5,-0.2 -2,-0.2 0.912 112.7 42.5 -47.8 -47.4 77.8 77.3 69.6 42 48 A Q H ><5S+ 0 0 83 -4,-2.3 3,-1.9 3,-0.2 -2,-0.2 0.931 111.9 50.9 -71.7 -47.9 77.7 74.4 67.2 43 49 A E H 3<5S+ 0 0 119 -4,-3.1 -2,-0.2 1,-0.3 -1,-0.2 0.937 111.1 49.2 -54.4 -50.5 74.8 72.4 68.8 44 50 A N T 3<5S- 0 0 46 -4,-2.7 -1,-0.3 -5,-0.2 -2,-0.2 0.292 106.7-130.8 -73.5 14.6 72.6 75.5 69.0 45 51 A E T < 5 - 0 0 82 -3,-1.9 -3,-0.2 -5,-0.1 -37,-0.1 0.839 38.2-165.4 33.1 48.7 73.4 76.1 65.3 46 52 A V < - 0 0 0 -5,-2.1 -37,-0.2 -6,-0.2 3,-0.1 -0.151 26.7-132.2 -60.3 149.9 74.2 79.7 66.2 47 53 A D S S- 0 0 4 -39,-3.3 2,-0.3 1,-0.3 -38,-0.2 0.889 81.0 -25.5 -73.8 -40.5 74.5 82.4 63.6 48 54 A F E -b 9 0A 0 -40,-1.1 -38,-1.5 49,-0.2 -1,-0.3 -0.965 62.5-109.8-165.7 159.5 77.8 83.8 65.0 49 55 A I E -bc 10 99A 2 49,-3.1 51,-3.2 -2,-0.3 2,-0.4 -0.733 25.4-160.8 -96.2 145.9 79.8 84.0 68.3 50 56 A L E -bc 11 100A 1 -40,-2.9 -38,-2.2 -2,-0.3 2,-0.3 -0.963 8.1-171.4-135.2 115.5 80.2 87.3 70.1 51 57 A L E -bc 12 101A 10 49,-2.5 51,-0.7 -2,-0.4 -38,-0.3 -0.808 18.8-151.1-112.4 143.3 83.0 87.8 72.6 52 58 A G - 0 0 0 -40,-1.7 169,-0.2 -2,-0.3 2,-0.2 0.156 58.3 -74.2-103.2 20.2 83.6 90.7 75.0 53 59 A G S S+ 0 0 2 49,-0.2 -39,-2.5 -41,-0.2 -38,-0.5 -0.508 96.5 73.0 121.1 172.3 87.3 90.6 75.4 54 60 A D + 0 0 1 -40,-0.2 -38,-2.5 -2,-0.2 -37,-0.2 0.789 45.4 155.0 48.9 41.9 90.3 88.8 77.0 55 61 A L + 0 0 9 47,-0.3 -38,-3.1 -40,-0.2 2,-0.4 0.907 69.5 43.1 -59.2 -44.8 90.1 85.8 74.7 56 62 A F B S-f 17 0B 0 -40,-0.3 -38,-0.2 1,-0.1 -40,-0.1 -0.868 75.7-144.7-104.7 139.7 93.7 85.2 75.4 57 63 A H S S+ 0 0 37 -40,-2.8 2,-0.4 -2,-0.4 -39,-0.1 0.831 89.8 42.2 -68.9 -31.4 95.3 85.5 78.8 58 64 A E S S- 0 0 110 -41,-0.5 48,-0.1 1,-0.1 -1,-0.1 -0.929 76.6-135.2-117.5 141.0 98.5 86.9 77.4 59 65 A N S S+ 0 0 53 -2,-0.4 58,-0.2 1,-0.3 51,-0.1 0.648 108.7 45.0 -70.5 -13.1 98.9 89.5 74.7 60 66 A K S S- 0 0 106 56,-0.1 -1,-0.3 57,-0.0 47,-0.0 -0.738 93.8-153.7-124.9 82.2 101.6 87.3 73.2 61 67 A P - 0 0 23 0, 0.0 -43,-0.1 0, 0.0 -2,-0.0 -0.253 19.9-106.3 -54.9 139.3 100.0 83.9 73.4 62 68 A S > - 0 0 39 1,-0.1 4,-2.6 -44,-0.1 5,-0.3 -0.285 29.9-110.6 -57.5 148.3 102.3 80.8 73.5 63 69 A R H > S+ 0 0 192 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.898 121.6 52.9 -45.9 -43.0 102.6 78.7 70.4 64 70 A K H > S+ 0 0 96 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.962 109.8 44.9 -63.1 -54.5 100.7 76.1 72.3 65 71 A T H > S+ 0 0 4 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.977 115.8 47.0 -48.4 -62.1 97.8 78.4 73.3 66 72 A L H X S+ 0 0 25 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.759 115.1 45.9 -56.8 -30.3 97.5 79.8 69.8 67 73 A H H X S+ 0 0 82 -4,-2.0 4,-2.4 -5,-0.3 -1,-0.2 0.892 111.1 50.1 -82.0 -42.6 97.6 76.4 68.1 68 74 A T H X S+ 0 0 30 -4,-3.0 4,-2.7 -5,-0.2 -2,-0.2 0.952 112.7 50.0 -56.4 -48.0 95.1 74.7 70.5 69 75 A C H X S+ 0 0 1 -4,-2.8 4,-2.9 -5,-0.3 5,-0.3 0.960 110.7 46.9 -55.3 -58.0 92.8 77.7 69.9 70 76 A L H X S+ 0 0 32 -4,-1.8 4,-2.9 1,-0.2 -1,-0.2 0.851 110.8 54.3 -52.3 -37.0 93.1 77.5 66.1 71 77 A E H X S+ 0 0 133 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.968 110.6 45.5 -63.4 -51.2 92.5 73.7 66.2 72 78 A L H X S+ 0 0 19 -4,-2.7 4,-2.5 2,-0.2 5,-0.4 0.934 114.0 47.3 -56.7 -52.4 89.3 74.2 68.2 73 79 A L H X S+ 0 0 8 -4,-2.9 4,-2.7 1,-0.2 5,-0.3 0.953 111.5 52.6 -55.4 -47.4 88.0 77.0 65.9 74 80 A R H X S+ 0 0 120 -4,-2.9 4,-0.6 -5,-0.3 -1,-0.2 0.916 112.7 46.9 -52.1 -43.0 88.9 74.9 63.0 75 81 A K H < S+ 0 0 129 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.930 124.9 23.0 -67.5 -51.2 86.9 72.0 64.5 76 82 A Y H < S+ 0 0 17 -4,-2.5 -2,-0.2 1,-0.1 -1,-0.2 0.666 117.2 57.1 -97.0 -19.5 83.7 73.7 65.5 77 83 A C H < S+ 0 0 0 -4,-2.7 19,-2.6 -5,-0.4 20,-1.9 0.543 95.4 71.1 -95.2 -7.2 83.5 76.8 63.3 78 84 A X B < +G 95 0C 34 -4,-0.6 2,-0.3 -5,-0.3 17,-0.2 -0.792 61.4 112.5-105.6 153.5 83.6 75.1 59.9 79 85 A G - 0 0 28 15,-1.3 15,-0.1 -2,-0.3 -3,-0.0 -0.989 69.6 -67.2 169.6-172.2 80.9 73.0 58.4 80 86 A D S S+ 0 0 84 -2,-0.3 -1,-0.1 2,-0.1 15,-0.1 0.910 93.8 88.6 -72.0 -46.0 78.3 72.4 55.7 81 87 A R S S- 0 0 57 -3,-0.1 -2,-0.1 1,-0.1 2,-0.1 -0.310 74.9-129.2 -68.6 134.2 75.8 75.1 56.6 82 88 A P - 0 0 76 0, 0.0 2,-0.2 0, 0.0 14,-0.1 -0.409 32.8 -91.4 -74.8 153.1 76.4 78.5 54.9 83 89 A V - 0 0 52 12,-0.4 14,-0.1 1,-0.1 -36,-0.1 -0.499 37.4-157.5 -63.5 132.1 76.5 81.7 56.9 84 90 A Q + 0 0 121 12,-0.2 65,-0.4 -2,-0.2 2,-0.3 0.436 64.4 57.7-101.1 -0.1 72.9 82.9 56.9 85 91 A F - 0 0 18 -38,-0.2 2,-0.3 63,-0.1 63,-0.2 -0.775 69.7-137.0-122.9 169.4 73.4 86.6 57.5 86 92 A E E -H 147 0D 120 61,-2.5 61,-1.7 -2,-0.3 2,-0.6 -0.951 11.7-125.8-133.1 153.4 75.3 89.4 55.7 87 93 A I E -H 146 0D 61 -2,-0.3 59,-0.2 59,-0.2 57,-0.0 -0.841 17.4-175.3 -93.3 117.3 77.6 92.3 56.6 88 94 A L + 0 0 73 57,-3.1 58,-0.1 -2,-0.6 -1,-0.1 0.649 65.3 79.2 -87.2 -16.1 76.3 95.5 55.1 89 95 A S S S- 0 0 34 56,-0.9 2,-0.1 1,-0.2 55,-0.1 0.061 91.8 -75.9 -71.0-168.0 79.4 97.3 56.3 90 96 A D 0 0 120 1,-0.2 -1,-0.2 0, 0.0 55,-0.1 -0.325 360.0 360.0 -89.4 172.0 82.9 97.3 54.8 91 97 A Q 0 0 174 -2,-0.1 -1,-0.2 400,-0.0 -2,-0.0 0.804 360.0 360.0 31.8 360.0 85.8 94.7 54.8 92 ! 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 93 116 A L 0 0 183 0, 0.0 2,-0.4 0, 0.0 -13,-0.1 0.000 360.0 360.0 360.0 107.5 86.4 74.4 53.7 94 117 A N - 0 0 74 -15,-0.1 -15,-1.3 -12,-0.0 2,-0.7 -0.836 360.0-135.7-109.6 142.3 83.4 76.5 54.8 95 118 A I B +G 78 0C 47 -2,-0.4 -12,-0.4 -17,-0.2 -17,-0.3 -0.863 29.4 166.3 -91.9 120.3 83.0 78.9 57.7 96 119 A S + 0 0 7 -19,-2.6 -12,-0.2 -2,-0.7 -18,-0.2 0.639 67.4 41.5-109.0 -17.1 79.7 78.3 59.3 97 120 A I S S- 0 0 3 -20,-1.9 -1,-0.2 -14,-0.1 -49,-0.2 -0.784 72.6-161.0-134.0 90.0 80.1 80.2 62.6 98 121 A P - 0 0 15 0, 0.0 -49,-3.1 0, 0.0 2,-0.5 -0.295 11.5-139.5 -63.0 154.4 81.9 83.5 62.5 99 122 A V E -cd 49 127A 3 27,-0.8 29,-3.3 -51,-0.2 2,-0.5 -0.976 12.1-165.6-120.7 118.1 83.4 85.0 65.6 100 123 A F E +cd 50 128A 4 -51,-3.2 -49,-2.5 -2,-0.5 2,-0.3 -0.901 22.8 165.9-100.2 125.1 83.0 88.7 66.4 101 124 A S E -cd 51 129A 0 27,-2.1 29,-2.6 -2,-0.5 2,-0.3 -0.954 30.0-150.9-140.1 158.0 85.3 90.0 69.1 102 125 A I - 0 0 0 -51,-0.7 2,-0.3 -2,-0.3 -47,-0.3 -0.753 34.9-105.6-113.4 166.8 86.8 93.0 70.8 103 126 A H - 0 0 11 -2,-0.3 57,-3.0 27,-0.2 5,-0.1 -0.735 30.1-153.3 -93.2 144.9 90.2 93.1 72.6 104 127 A G - 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