==== 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 METAL BINDING PROTEIN 22-FEB-06 2G4S . COMPND 2 MOLECULE: NEXT TO BRCA1 GENE 1 PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.MUELLER-DIECKMANN,M.S.WEISS . 86 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5291.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 66 76.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 7.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 19 22.1 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 . 1 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 1.2 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 . 12 14.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 6 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 21 24.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 2.3 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 0 0 0 0 0 0 1 1 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 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 PARALLEL BRIDGES PER LADDER . 0 0 0 1 1 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 0 A A 0 0 149 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 149.0 22.6 75.7 19.2 2 1 A M - 0 0 102 2,-0.0 21,-0.0 0, 0.0 0, 0.0 0.704 360.0-110.6 -98.0-176.5 19.8 75.5 18.6 3 2 A E - 0 0 29 -2,-0.1 22,-0.2 1,-0.1 3,-0.1 -0.401 38.6-132.5 -59.4 138.2 18.3 77.4 15.6 4 3 A P - 0 0 65 0, 0.0 -1,-0.1 0, 0.0 19,-0.1 -0.384 46.1 -46.8 -86.9 177.1 16.1 80.3 16.7 5 4 A Q - 0 0 83 18,-0.1 2,-0.4 -2,-0.1 17,-0.2 0.019 55.0-155.7 -35.8 135.2 12.7 81.1 15.4 6 5 A V E -A 21 0A 0 15,-2.2 15,-2.6 -3,-0.1 2,-0.5 -0.958 5.8-144.2-116.4 141.9 12.1 81.1 11.6 7 6 A T E -Ab 20 78A 32 70,-2.0 72,-2.5 -2,-0.4 2,-0.6 -0.942 9.7-161.0-102.8 121.1 9.4 83.1 9.7 8 7 A L E -Ab 19 79A 1 11,-2.4 11,-2.8 -2,-0.5 2,-0.8 -0.924 1.7-163.4-100.3 111.6 7.9 81.3 6.7 9 8 A N E -Ab 18 80A 19 70,-2.6 72,-2.6 -2,-0.6 2,-0.6 -0.862 15.5-167.9 -97.6 105.6 6.2 83.8 4.4 10 9 A V E -Ab 17 81A 1 7,-3.3 7,-2.2 -2,-0.8 2,-0.5 -0.889 8.7-161.8-113.8 116.7 4.0 81.7 2.2 11 10 A T E +Ab 16 82A 33 70,-2.4 72,-3.2 -2,-0.6 2,-0.4 -0.794 12.0 176.8 -95.9 127.8 2.3 82.9 -0.9 12 11 A F E > -A 15 0A 24 3,-2.8 3,-2.0 -2,-0.5 2,-0.3 -0.930 69.7 -58.1-125.7 108.6 -0.6 81.2 -2.5 13 12 A K T 3 S- 0 0 131 70,-0.4 70,-0.0 -2,-0.4 71,-0.0 -0.444 122.3 -15.2 53.7-114.0 -1.8 83.2 -5.5 14 13 A N T 3 S+ 0 0 175 -2,-0.3 2,-0.4 -3,-0.1 -1,-0.3 0.253 121.7 90.2-102.3 17.2 -2.7 86.7 -4.0 15 14 A E E < -A 12 0A 101 -3,-2.0 -3,-2.8 2,-0.0 2,-0.4 -0.875 53.3-171.8-116.7 136.6 -2.8 85.5 -0.5 16 15 A I E -A 11 0A 100 -2,-0.4 2,-0.4 -5,-0.2 -5,-0.2 -0.997 5.1-178.7-130.0 133.9 0.1 85.5 1.9 17 16 A Q E -A 10 0A 68 -7,-2.2 -7,-3.3 -2,-0.4 2,-0.5 -0.999 15.5-148.1-128.1 139.1 0.5 84.0 5.4 18 17 A S E -A 9 0A 72 -2,-0.4 2,-0.6 -9,-0.3 -9,-0.3 -0.918 11.4-157.9-104.0 127.0 3.5 84.2 7.6 19 18 A F E -A 8 0A 21 -11,-2.8 -11,-2.4 -2,-0.5 2,-0.5 -0.910 7.3-148.0-105.8 122.0 4.1 81.3 9.9 20 19 A L E -A 7 0A 118 -2,-0.6 2,-0.5 -13,-0.2 -13,-0.2 -0.776 15.4-169.0 -82.4 126.6 6.3 81.8 13.1 21 20 A V E -A 6 0A 12 -15,-2.6 -15,-2.2 -2,-0.5 6,-0.1 -0.939 5.3-161.2-121.3 104.7 8.0 78.5 13.7 22 21 A S S S+ 0 0 96 -2,-0.5 -1,-0.1 1,-0.3 -15,-0.0 0.872 78.5 15.8 -59.7 -47.3 9.7 78.5 17.1 23 22 A D > - 0 0 55 1,-0.1 3,-2.0 -18,-0.1 -1,-0.3 -0.708 64.8-179.1-136.1 82.2 12.2 75.8 17.0 24 23 A P G > S+ 0 0 1 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 0.731 79.8 62.5 -56.3 -29.7 12.8 74.8 13.4 25 24 A E G 3 S+ 0 0 114 1,-0.3 41,-0.0 -22,-0.2 -2,-0.0 0.713 102.0 56.5 -68.7 -20.9 15.4 72.1 14.2 26 25 A N G < S+ 0 0 125 -3,-2.0 2,-0.3 2,-0.0 -1,-0.3 0.060 97.5 83.9 -95.9 25.1 12.5 70.5 16.0 27 26 A T < - 0 0 26 -3,-1.6 2,-0.3 -6,-0.1 -6,-0.0 -0.880 62.0-144.1-126.2 157.6 10.2 70.4 13.0 28 27 A T >> - 0 0 55 -2,-0.3 4,-1.7 1,-0.1 3,-0.8 -0.864 26.3-119.6-112.4 155.8 9.7 68.1 10.0 29 28 A W H 3> S+ 0 0 8 -2,-0.3 4,-2.7 1,-0.3 5,-0.2 0.834 114.3 60.1 -59.4 -37.9 8.8 69.0 6.5 30 29 A A H 3> S+ 0 0 67 2,-0.2 4,-1.5 1,-0.2 -1,-0.3 0.818 103.2 50.7 -59.7 -33.7 5.7 66.9 6.8 31 30 A D H <> S+ 0 0 97 -3,-0.8 4,-1.8 2,-0.2 -2,-0.2 0.936 112.7 46.7 -72.0 -45.3 4.5 69.1 9.7 32 31 A I H X S+ 0 0 5 -4,-1.7 4,-2.0 1,-0.2 -2,-0.2 0.894 111.1 49.2 -60.4 -50.1 5.1 72.2 7.6 33 32 A E H X S+ 0 0 47 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.842 109.9 53.7 -55.8 -38.7 3.4 70.9 4.5 34 33 A A H X S+ 0 0 46 -4,-1.5 4,-2.1 -5,-0.2 -2,-0.2 0.899 107.6 50.1 -65.8 -40.4 0.4 69.9 6.6 35 34 A M H X S+ 0 0 58 -4,-1.8 4,-1.9 1,-0.2 -2,-0.2 0.893 111.8 47.7 -62.2 -43.7 0.1 73.4 8.0 36 35 A V H X S+ 0 0 1 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.874 111.2 51.0 -62.2 -41.0 0.2 75.0 4.6 37 36 A K H X>S+ 0 0 70 -4,-1.9 5,-1.6 1,-0.2 4,-1.1 0.887 112.4 46.6 -68.8 -40.0 -2.4 72.6 3.2 38 37 A V H <5S+ 0 0 124 -4,-2.1 -1,-0.2 3,-0.2 -2,-0.2 0.846 112.6 50.8 -67.4 -34.7 -4.7 73.3 6.1 39 38 A S H <5S+ 0 0 41 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.913 123.3 26.7 -71.5 -43.9 -4.2 77.0 5.8 40 39 A F H <5S- 0 0 17 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.363 104.0-117.9-103.2 2.8 -4.9 77.2 2.1 41 40 A D T <5 + 0 0 147 -4,-1.1 2,-0.3 1,-0.2 -3,-0.2 0.936 61.1 149.2 60.1 53.0 -7.2 74.2 1.6 42 41 A L < - 0 0 13 -5,-1.6 -1,-0.2 -6,-0.2 3,-0.1 -0.792 34.4-171.4-117.2 156.2 -4.9 72.4 -0.8 43 42 A N S S+ 0 0 138 1,-0.4 2,-0.6 -2,-0.3 -1,-0.1 0.759 78.9 28.7-111.1 -60.6 -4.5 68.6 -1.2 44 43 A T S S+ 0 0 91 -7,-0.0 42,-2.5 2,-0.0 -1,-0.4 -0.942 80.3 171.6-106.6 120.7 -1.5 68.2 -3.5 45 44 A I E -C 85 0A 13 -2,-0.6 2,-0.4 40,-0.3 40,-0.2 -0.826 29.4-156.2-125.9 166.0 1.0 71.0 -3.3 46 45 A Q E -C 84 0A 54 38,-2.3 38,-2.3 -2,-0.3 2,-0.4 -0.974 17.9-161.6-136.0 125.4 4.5 71.9 -4.4 47 46 A I E -CD 83 59A 1 12,-0.7 12,-2.1 -2,-0.4 2,-0.3 -0.891 8.4-176.7-111.4 140.5 6.4 74.5 -2.4 48 47 A K E -CD 82 58A 86 34,-2.1 34,-2.3 -2,-0.4 2,-0.3 -0.913 6.0-157.4-131.4 157.5 9.4 76.5 -3.6 49 48 A Y E -CD 81 57A 25 8,-1.7 8,-2.3 -2,-0.3 2,-0.6 -0.987 24.9-109.0-142.1 151.8 11.7 79.0 -1.9 50 49 A L E - D 0 56A 57 30,-1.7 30,-0.3 -2,-0.3 6,-0.2 -0.681 41.3-165.3 -78.4 118.1 14.0 81.8 -2.8 51 50 A D > - 0 0 22 4,-2.1 3,-2.1 -2,-0.6 17,-0.0 -0.251 40.5 -86.3 -96.7-175.9 17.7 80.7 -2.3 52 51 A E T 3 S+ 0 0 102 1,-0.3 -2,-0.0 2,-0.1 -1,-0.0 0.757 130.5 57.4 -66.1 -24.2 20.9 82.7 -2.1 53 52 A E T 3 S- 0 0 150 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.288 117.1-118.6 -82.0 7.7 21.1 82.5 -5.9 54 53 A N S < S+ 0 0 121 -3,-2.1 2,-0.4 1,-0.2 -2,-0.1 0.830 71.7 136.1 56.2 37.3 17.7 84.2 -6.0 55 54 A E - 0 0 121 -6,-0.1 -4,-2.1 2,-0.0 2,-0.6 -0.883 61.1-118.9-115.2 139.5 16.3 81.1 -7.7 56 55 A E E -D 50 0A 90 -2,-0.4 2,-0.4 -6,-0.2 -6,-0.2 -0.730 40.4-175.7 -80.1 120.4 13.0 79.4 -6.8 57 56 A V E -D 49 0A 43 -8,-2.3 -8,-1.7 -2,-0.6 2,-0.1 -0.942 23.0-109.8-129.3 140.7 13.8 75.9 -5.7 58 57 A S E -D 48 0A 40 -2,-0.4 2,-0.5 -10,-0.2 -10,-0.2 -0.347 14.5-159.1 -69.0 139.6 11.7 72.9 -4.7 59 58 A I E +D 47 0A 0 -12,-2.1 -12,-0.7 1,-0.1 3,-0.1 -0.995 31.9 147.5-110.2 117.9 11.4 71.5 -1.2 60 59 A N + 0 0 88 -2,-0.5 2,-0.3 1,-0.1 -1,-0.1 0.252 58.8 34.2-128.4 3.8 10.1 67.9 -1.5 61 60 A S S > S- 0 0 51 1,-0.1 4,-2.2 -32,-0.0 5,-0.1 -0.965 82.9-100.9-158.3 164.4 11.8 66.2 1.5 62 61 A Q H > S+ 0 0 66 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.919 121.5 53.1 -57.0 -47.6 13.0 66.5 5.1 63 62 A G H > S+ 0 0 41 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.908 107.8 47.6 -53.0 -52.6 16.5 67.0 3.7 64 63 A E H > S+ 0 0 74 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.897 111.4 53.6 -61.2 -40.2 15.6 69.8 1.3 65 64 A Y H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.912 106.2 50.2 -57.1 -48.9 13.8 71.5 4.2 66 65 A E H X S+ 0 0 95 -4,-2.3 4,-1.6 1,-0.2 -1,-0.2 0.847 110.0 51.5 -64.0 -33.8 16.8 71.3 6.6 67 66 A E H X S+ 0 0 106 -4,-1.9 4,-1.4 2,-0.2 -1,-0.2 0.866 106.9 53.4 -66.4 -41.2 19.0 72.9 3.8 68 67 A A H X S+ 0 0 0 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.876 108.5 50.8 -57.7 -40.9 16.4 75.7 3.4 69 68 A L H X S+ 0 0 4 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.872 103.0 57.7 -69.0 -37.3 16.6 76.4 7.1 70 69 A K H X S+ 0 0 117 -4,-1.6 4,-0.7 1,-0.2 -1,-0.2 0.885 110.9 45.5 -54.0 -41.0 20.4 76.6 7.1 71 70 A M H X S+ 0 0 13 -4,-1.4 4,-1.2 2,-0.2 3,-0.4 0.836 105.8 58.8 -71.1 -37.5 20.0 79.3 4.6 72 71 A A H <>S+ 0 0 0 -4,-1.8 5,-1.9 1,-0.2 6,-0.8 0.850 100.8 57.4 -60.9 -34.3 17.2 81.1 6.5 73 72 A V H ><5S+ 0 0 67 -4,-1.8 3,-0.5 1,-0.2 -1,-0.2 0.838 107.5 47.6 -64.5 -34.0 19.7 81.4 9.5 74 73 A K H 3<5S+ 0 0 143 -4,-0.7 -1,-0.2 -3,-0.4 -2,-0.2 0.740 110.3 55.4 -73.7 -25.8 22.0 83.3 7.1 75 74 A Q T 3<5S- 0 0 78 -4,-1.2 3,-0.4 3,-0.1 -1,-0.2 -0.269 130.2 -78.6-110.8 48.1 19.1 85.5 5.9 76 75 A G T < 5S- 0 0 52 -3,-0.5 -3,-0.2 1,-0.2 -2,-0.1 0.845 81.3 -69.6 63.8 34.2 17.7 87.0 9.1 77 76 A N S