==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CHROMATIN-BINDING 01-FEB-02 1GUW . COMPND 2 MOLECULE: HISTONE H3.1; . SOURCE 2 SYNTHETIC: YES; . AUTHOR P.R.NIELSEN,D.NIETLISPACH,H.R.MOTT,J.M.CALLAGHAN, . 91 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7745.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 39 42.9 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 . 14 15.4 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 . 0 0.0 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 . 1 1.1 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 . 6 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 6 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 10 11.0 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 0 0 0 0 0 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 . 2 3 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 8 A H 0 0 203 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 142.1 -26.0 -13.6 13.1 2 9 A M + 0 0 192 1,-0.2 2,-0.2 2,-0.0 3,-0.1 0.942 360.0 88.7 58.8 50.9 -29.3 -12.1 14.3 3 10 A V S S- 0 0 113 1,-0.2 -1,-0.2 3,-0.0 2,-0.1 -0.513 81.9 -11.1-145.1-147.3 -27.7 -8.7 14.8 4 11 A E S S- 0 0 184 -2,-0.2 2,-0.2 1,-0.1 -1,-0.2 -0.417 73.8-109.2 -65.8 133.5 -27.0 -5.4 12.9 5 12 A E - 0 0 177 -2,-0.1 2,-0.2 1,-0.1 -1,-0.1 -0.446 33.7-118.4 -66.2 129.3 -27.5 -5.7 9.2 6 13 A V + 0 0 122 -2,-0.2 -1,-0.1 1,-0.1 3,-0.1 -0.505 59.7 130.6 -72.1 132.8 -24.2 -5.6 7.3 7 14 A L + 0 0 156 1,-0.3 2,-0.2 -2,-0.2 -1,-0.1 0.011 53.9 63.0-176.1 46.7 -23.9 -2.6 4.9 8 15 A E S S+ 0 0 152 1,-0.5 -1,-0.3 79,-0.1 78,-0.0 -0.859 81.5 19.7-176.6 140.6 -20.5 -1.0 5.5 9 16 A E + 0 0 143 -2,-0.2 -1,-0.5 1,-0.1 -2,-0.1 0.595 41.1 169.4 66.4 135.6 -16.8 -1.8 5.2 10 17 A E + 0 0 99 -3,-0.1 76,-0.3 2,-0.0 2,-0.1 0.004 13.4 164.5-170.1 42.2 -15.4 -4.7 3.1 11 18 A E - 0 0 63 74,-0.2 2,-0.4 73,-0.1 71,-0.1 -0.435 16.4-163.3 -71.3 142.2 -11.7 -4.3 3.0 12 19 A E - 0 0 92 -2,-0.1 2,-2.6 69,-0.1 71,-0.7 -0.975 30.0-112.1-131.4 143.2 -9.7 -7.4 1.8 13 20 A E - 0 0 82 -2,-0.4 69,-0.2 69,-0.2 3,-0.1 -0.392 43.5-168.0 -71.3 69.6 -6.0 -8.3 2.1 14 21 A Y - 0 0 59 -2,-2.6 67,-1.8 67,-0.3 -3,-0.0 -0.335 33.1 -94.2 -61.4 138.4 -5.3 -8.0 -1.7 15 22 A V B -A 80 0A 41 65,-0.2 21,-0.8 21,-0.1 2,-0.4 -0.266 42.1-152.7 -55.8 134.3 -1.9 -9.5 -2.6 16 23 A V E -C 35 0B 8 63,-1.0 19,-0.2 1,-0.2 3,-0.1 -0.949 16.4-166.8-117.3 131.4 0.8 -6.8 -2.7 17 24 A E E - 0 0 129 17,-2.1 2,-0.2 -2,-0.4 -1,-0.2 0.953 66.8 -49.3 -76.8 -53.9 3.9 -7.0 -4.9 18 25 A K E - 0 0 84 16,-0.3 16,-1.1 41,-0.0 -1,-0.3 -0.823 56.6 -91.6 177.9 142.6 5.9 -4.1 -3.3 19 26 A V E -C 33 0B 0 -2,-0.2 14,-0.3 14,-0.2 13,-0.1 -0.441 29.7-159.7 -65.8 129.7 5.5 -0.5 -2.2 20 27 A L - 0 0 42 12,-1.8 2,-0.2 -2,-0.2 -1,-0.2 0.895 61.5 -39.0 -78.5 -42.7 6.5 1.8 -5.0 21 28 A D - 0 0 81 11,-0.3 2,-0.3 2,-0.0 39,-0.1 -0.608 57.0-108.2-153.7-146.3 7.2 4.9 -2.9 22 29 A R + 0 0 103 9,-0.2 2,-0.3 -2,-0.2 9,-0.2 -0.866 28.2 165.6-168.4 131.8 5.9 7.0 0.1 23 30 A R B -D 30 0C 130 7,-1.9 7,-0.8 -2,-0.3 2,-0.4 -0.967 19.6-147.9-155.5 136.6 4.1 10.3 0.5 24 31 A V + 0 0 84 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.828 18.5 173.9-106.7 143.6 2.3 12.1 3.3 25 32 A V > - 0 0 61 -2,-0.4 3,-1.5 3,-0.1 2,-1.1 -0.980 66.3 -4.5-151.2 134.3 -0.6 14.5 2.8 26 33 A K T 3 S- 0 0 205 -2,-0.3 3,-0.0 1,-0.3 -2,-0.0 -0.071 126.0 -62.1 76.1 -37.1 -3.0 16.3 5.3 27 34 A G T 3 S+ 0 0 63 -2,-1.1 -1,-0.3 1,-0.1 -3,-0.0 0.214 111.6 101.4 144.9 -11.6 -1.2 14.3 8.0 28 35 A K < - 0 0 105 -3,-1.5 2,-0.3 1,-0.0 -3,-0.1 0.191 66.2-114.5 -79.7-157.6 -2.0 10.7 7.2 29 36 A V + 0 0 48 -5,-0.2 19,-0.5 16,-0.0 2,-0.3 -0.992 28.5 173.2-148.7 138.6 0.2 8.2 5.5 30 37 A E E -DE 23 47C 21 -7,-0.8 -7,-1.9 -2,-0.3 2,-0.5 -0.958 11.9-161.5-152.6 130.6 0.0 6.4 2.1 31 38 A Y E - E 0 46C 16 15,-2.2 15,-1.4 -2,-0.3 -9,-0.2 -0.943 27.3-118.4-115.2 130.0 2.4 4.0 0.2 32 39 A L - 0 0 13 -2,-0.5 -12,-1.8 13,-0.2 2,-0.4 -0.342 37.1-170.0 -62.2 139.8 2.1 3.3 -3.5 33 40 A L E -C 19 0B 0 11,-0.3 11,-0.5 -14,-0.3 2,-0.5 -0.976 22.4-136.4-143.9 130.6 1.4 -0.4 -4.1 34 41 A K E - 0 0 60 -16,-1.1 -17,-2.1 -2,-0.4 2,-0.5 -0.698 25.0-150.0 -83.6 123.4 1.4 -2.6 -7.2 35 42 A W E -C 16 0B 8 -2,-0.5 -19,-0.2 -19,-0.2 7,-0.1 -0.831 14.9-119.6-101.1 131.7 -1.6 -4.9 -7.3 36 43 A K S S+ 0 0 111 -21,-0.8 2,-1.6 -2,-0.5 3,-0.1 -0.339 92.4 7.9 -66.2 144.9 -1.4 -8.3 -9.0 37 44 A G S S+ 0 0 82 1,-0.2 -1,-0.2 -2,-0.0 2,-0.2 -0.235 107.4 98.7 80.2 -49.2 -3.8 -9.0 -11.8 38 45 A F S S- 0 0 94 -2,-1.6 -1,-0.2 1,-0.1 -3,-0.1 -0.491 88.6 -96.7 -74.1 139.5 -5.0 -5.4 -11.9 39 46 A S > - 0 0 72 -2,-0.2 3,-1.9 1,-0.1 -4,-0.2 -0.183 28.2-119.4 -54.5 144.1 -3.4 -3.1 -14.5 40 47 A D T 3 S+ 0 0 93 1,-0.3 3,-0.4 2,-0.1 -1,-0.1 0.809 112.4 69.0 -55.3 -31.4 -0.5 -1.0 -13.3 41 48 A E T 3 S+ 0 0 173 1,-0.3 2,-1.4 2,-0.0 -1,-0.3 0.798 81.4 76.2 -58.2 -30.1 -2.5 2.1 -14.3 42 49 A D S < S+ 0 0 69 -3,-1.9 -1,-0.3 -7,-0.1 2,-0.1 -0.117 71.2 156.7 -76.4 41.7 -4.9 1.2 -11.4 43 50 A N + 0 0 64 -2,-1.4 2,-0.3 -3,-0.4 -9,-0.1 -0.424 13.6 171.8 -70.5 143.1 -2.3 2.6 -8.9 44 51 A T - 0 0 46 -11,-0.5 2,-0.7 -2,-0.1 -11,-0.3 -0.884 30.9-132.5-158.3 121.2 -3.6 3.7 -5.5 45 52 A W - 0 0 49 -2,-0.3 -13,-0.2 -13,-0.2 -16,-0.0 -0.639 28.5-159.2 -77.3 112.3 -1.7 4.8 -2.4 46 53 A E E -E 31 0C 11 -15,-1.4 -15,-2.2 -2,-0.7 37,-0.1 -0.700 27.7 -93.4 -95.2 146.1 -3.2 2.9 0.6 47 54 A P E > -E 30 0C 23 0, 0.0 4,-1.8 0, 0.0 3,-0.4 -0.274 28.3-130.6 -57.1 135.1 -2.9 4.1 4.2 48 55 A E T 4 S+ 0 0 83 -19,-0.5 5,-0.2 1,-0.2 -18,-0.1 0.882 107.2 58.8 -54.4 -42.6 0.1 2.5 6.0 49 56 A E T 4 S+ 0 0 178 1,-0.2 -1,-0.2 -20,-0.2 -19,-0.1 0.903 106.9 47.3 -55.0 -43.4 -2.2 1.5 9.0 50 57 A N T 4 S+ 0 0 46 -3,-0.4 32,-0.8 31,-0.1 -1,-0.2 0.861 92.3 97.4 -66.1 -37.7 -4.4 -0.5 6.6 51 58 A L E < -B 81 0A 14 -4,-1.8 30,-0.2 30,-0.2 2,-0.1 -0.321 57.6-164.2 -57.5 129.0 -1.4 -2.1 5.0 52 59 A D E +B 80 0A 82 28,-0.9 28,-1.2 1,-0.2 -1,-0.1 -0.371 68.4 81.0-110.9 50.0 -0.7 -5.6 6.6 53 60 A C >> + 0 0 3 -5,-0.2 4,-1.5 26,-0.2 3,-0.9 -0.348 39.5 160.2-152.4 62.3 2.8 -6.0 5.3 54 61 A P H 3> S+ 0 0 96 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.823 76.3 65.3 -55.1 -33.1 5.3 -4.1 7.5 55 62 A D H 3> S+ 0 0 101 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.908 101.2 47.9 -57.3 -44.4 8.1 -6.3 6.1 56 63 A L H <> S+ 0 0 19 -3,-0.9 4,-1.5 2,-0.2 -1,-0.2 0.911 109.0 54.4 -63.7 -42.9 7.6 -4.8 2.6 57 64 A I H >X S+ 0 0 20 -4,-1.5 4,-1.7 1,-0.2 3,-1.1 0.960 108.7 47.0 -55.0 -54.9 7.6 -1.3 4.0 58 65 A A H 3X S+ 0 0 60 -4,-2.5 4,-1.8 1,-0.3 -1,-0.2 0.855 106.3 61.2 -54.9 -36.6 11.0 -1.8 5.7 59 66 A E H 3X S+ 0 0 78 -4,-1.7 4,-0.7 -5,-0.2 -1,-0.3 0.843 104.6 48.7 -59.3 -36.5 12.2 -3.3 2.4 60 67 A F H XX S+ 0 0 19 -4,-1.5 4,-1.1 -3,-1.1 3,-0.7 0.949 116.6 38.1 -70.6 -52.4 11.5 0.0 0.7 61 68 A L H 3X S+ 0 0 32 -4,-1.7 4,-2.5 1,-0.2 -2,-0.2 0.678 101.6 78.2 -73.1 -17.9 13.3 2.3 3.2 62 69 A Q H 3< S+ 0 0 131 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.2 0.856 100.6 38.2 -58.9 -37.6 16.0 -0.3 3.6 63 70 A S H << S+ 0 0 72 -3,-0.7 -1,-0.2 -4,-0.7 -2,-0.2 0.902 118.6 46.5 -80.2 -45.0 17.6 0.8 0.3 64 71 A Q H < S+ 0 0 101 -4,-1.1 4,-0.2 3,-0.1 -2,-0.2 0.739 105.2 74.1 -69.2 -25.1 17.0 4.5 0.7 65 72 A K < + 0 0 78 -4,-2.5 -3,-0.1 2,-0.2 4,-0.1 0.500 51.0 86.5 -66.0-143.3 18.2 4.5 4.3 66 73 A T S S+ 0 0 117 1,-0.2 -1,-0.2 2,-0.2 3,-0.1 0.793 120.9 24.7 50.0 25.0 21.9 4.1 5.2 67 74 A A S S+ 0 0 68 1,-0.2 -1,-0.2 4,-0.0 -2,-0.2 0.094 94.3 123.6 176.9 -26.0 21.7 7.9 4.7 68 75 A H S > S- 0 0 94 1,-0.2 2,-0.8 -4,-0.2 3,-0.7 -0.344 92.6 -9.6 -59.4 129.9 18.0 8.5 5.3 69 76 A E T 3 S- 0 0 91 1,-0.2 -1,-0.2 -2,-0.1 3,-0.1 0.051 90.3-126.9 70.5 -29.9 17.4 11.1 8.1 70 77 A T T 3 S+ 0 0 110 -2,-0.8 -1,-0.2 1,-0.2 2,-0.2 0.896 84.2 65.2 53.8 44.0 21.2 10.9 8.9 71 78 A D S < S- 0 0 126 -3,-0.7 -1,-0.2 1,-0.5 -3,-0.0 -0.460 98.2 -22.2-154.0-133.2 20.3 10.1 12.5 72 79 A K 0 0 179 -2,-0.2 -1,-0.5 -3,-0.1 -2,-0.1 0.499 360.0 360.0 -68.6-141.0 18.6 7.4 14.6 73 80 A S 0 0 137 -3,-0.1 -1,-0.1 -4,-0.1 -4,-0.1 -0.414 360.0 360.0 58.6 360.0 16.2 4.9 13.0 74 !* 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 75 1 B A 0 0 156 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -41.1 3.3 -22.1 4.6 76 2 B R - 0 0 157 1,-0.1 2,-0.2 0, 0.0 0, 0.0 -0.219 360.0 -98.7 -56.3 141.7 4.2 -18.7 6.1 77 3 B T - 0 0 114 1,-0.1 2,-0.2 3,-0.0 -1,-0.1 -0.452 37.4-129.9 -67.0 129.7 1.6 -15.9 5.3 78 4 B X - 0 0 148 -2,-0.2 -1,-0.1 1,-0.1 -62,-0.0 -0.553 35.1 -86.5 -82.1 145.0 2.7 -13.7 2.4 79 5 B Q + 0 0 48 -2,-0.2 -63,-1.0 -62,-0.1 2,-0.3 -0.161 54.7 174.0 -50.4 137.4 2.6 -9.9 2.7 80 6 B T E -AB 15 52A 13 -28,-1.2 -28,-0.9 -65,-0.2 2,-0.4 -0.995 16.9-164.8-150.0 144.1 -0.8 -8.4 2.0 81 7 B A E - B 0 51A 0 -67,-1.8 2,-0.4 -2,-0.3 -67,-0.3 -0.989 26.3-120.7-136.8 127.8 -2.3 -4.9 2.2 82 8 B R - 0 0 76 -32,-0.8 -69,-0.2 -2,-0.4 -71,-0.1 -0.492 15.5-156.8 -66.9 120.0 -6.0 -3.9 2.0 83 9 B X - 0 0 32 -71,-0.7 -1,-0.1 -2,-0.4 -70,-0.1 0.047 44.7-107.8 -86.6 27.3 -6.5 -1.6 -0.9 84 10 B S + 0 0 65 -72,-0.1 -73,-0.1 -37,-0.1 -2,-0.1 0.893 63.2 160.7 48.2 45.4 -9.6 -0.1 0.7 85 11 B T + 0 0 52 -73,-0.2 -74,-0.2 1,-0.1 3,-0.1 0.962 11.9 147.8 -60.4 -55.0 -11.7 -1.9 -1.9 86 12 B G + 0 0 13 -76,-0.3 -1,-0.1 1,-0.1 -3,-0.0 -0.185 31.2 83.8 53.8-142.5 -14.9 -1.8 0.1 87 13 B G S S- 0 0 73 1,-0.1 2,-0.3 2,-0.0 -1,-0.1 -0.223 91.9 -74.6 51.8-130.6 -18.1 -1.6 -2.0 88 14 B K - 0 0 185 -3,-0.1 -1,-0.1 3,-0.0 -78,-0.0 -0.913 39.3 -98.9-166.8 137.0 -19.2 -5.0 -3.2 89 15 B A - 0 0 91 -2,-0.3 -2,-0.0 1,-0.1 -3,-0.0 -0.303 26.1-139.3 -59.1 136.8 -18.1 -7.5 -5.8 90 16 B P + 0 0 135 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 0.909 39.9 165.4 -64.4 -43.9 -20.1 -7.3 -9.1 91 17 B G 0 0 70 -3,-0.0 -3,-0.0 0, 0.0 0, 0.0 -0.362 360.0 360.0 64.1-137.0 -20.3 -11.1 -9.5 92 18 B G 0 0 156 -2,-0.1 0, 0.0 0, 0.0 0, 0.0 -0.669 360.0 360.0 177.0 360.0 -22.8 -12.3 -12.0