==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SIGNALING PROTEIN 13-OCT-04 1XQQ . COMPND 2 MOLECULE: UBIQUITIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR K.LINDORFF-LARSEN,R.B.BEST,M.A.DEPRISTO,M.VENDRUSCOLO, . 76 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5258.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 56 73.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 5.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 16 21.1 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 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 1.3 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 15.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 7 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 11 14.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 2.6 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 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 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 PARALLEL BRIDGES PER LADDER . 1 1 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 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 1 A M 0 0 60 0, 0.0 16,-2.9 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 151.7 -11.9 5.1 -3.4 2 2 A Q E +A 16 0A 90 14,-0.2 62,-3.0 12,-0.0 63,-0.3 -0.714 360.0 174.6 -98.4 146.0 -8.8 6.9 -2.0 3 3 A I E -A 15 0A 0 12,-2.7 12,-2.0 -2,-0.3 2,-0.4 -0.695 30.2-109.8-127.5-176.5 -6.4 6.0 0.9 4 4 A F E -Ab 14 66A 59 61,-2.8 63,-2.9 -2,-0.2 2,-0.5 -0.979 20.6-163.8-121.6 130.5 -3.3 7.5 2.2 5 5 A V E -Ab 13 67A 0 8,-3.2 8,-3.6 -2,-0.4 2,-0.4 -0.939 8.5-162.1-115.7 132.7 0.2 6.0 2.0 6 6 A K E -Ab 12 68A 90 61,-2.3 63,-3.7 -2,-0.5 6,-0.2 -0.914 7.9-144.0-117.9 128.3 3.0 7.4 4.2 7 7 A T - 0 0 28 4,-2.3 63,-0.1 -2,-0.4 -1,-0.0 -0.170 34.7 -89.9 -74.4 179.6 6.7 6.9 3.6 8 8 A L S S+ 0 0 149 1,-0.2 62,-0.1 2,-0.1 -1,-0.0 0.956 124.4 35.6 -57.0 -58.5 9.4 6.4 6.1 9 9 A T S S- 0 0 139 1,-0.1 -1,-0.2 2,-0.0 -3,-0.0 0.857 128.3 -91.1 -62.9 -39.0 10.4 10.0 6.7 10 10 A G + 0 0 55 1,-0.2 2,-0.5 0, 0.0 -2,-0.1 0.691 68.4 148.5 121.3 49.6 6.9 11.1 6.3 11 11 A K - 0 0 98 2,-0.0 -4,-2.3 0, 0.0 2,-0.5 -0.871 40.1-137.5 -89.7 129.5 5.8 12.1 2.8 12 12 A T E -A 6 0A 68 -2,-0.5 2,-0.6 -6,-0.2 -6,-0.2 -0.823 13.4-163.7 -92.0 126.7 2.2 11.4 2.3 13 13 A I E -A 5 0A 14 -8,-3.6 -8,-3.2 -2,-0.5 2,-0.4 -0.938 14.2-145.9-102.9 103.5 1.3 9.8 -1.1 14 14 A T E -A 4 0A 71 -2,-0.6 2,-0.4 -10,-0.2 -10,-0.2 -0.798 26.9-171.7 -74.7 131.5 -2.4 10.1 -1.7 15 15 A L E -A 3 0A 10 -12,-2.0 -12,-2.7 -2,-0.4 2,-0.3 -0.993 19.8-141.5-143.3 128.6 -3.5 7.0 -3.6 16 16 A E E +A 2 0A 108 -2,-0.4 2,-0.3 -14,-0.2 -14,-0.2 -0.710 30.2 158.2-103.4 143.0 -6.6 5.8 -5.3 17 17 A V - 0 0 8 -16,-2.9 9,-0.1 -2,-0.3 -2,-0.0 -0.889 38.2-116.7-157.7 165.4 -7.8 2.2 -5.2 18 18 A E > - 0 0 133 -2,-0.3 3,-1.4 4,-0.2 38,-0.2 -0.979 22.0-141.1-125.5 124.3 -10.6 -0.2 -5.6 19 19 A P T 3 S+ 0 0 53 0, 0.0 38,-1.8 0, 0.0 37,-1.7 0.737 98.1 46.4 -79.3 -20.9 -11.7 -2.3 -2.6 20 20 A S T 3 S+ 0 0 93 35,-0.2 2,-0.2 36,-0.2 35,-0.1 0.192 100.2 85.1 -95.7 7.2 -12.4 -5.6 -4.2 21 21 A D S < S- 0 0 65 -3,-1.4 35,-0.8 1,-0.1 36,-0.2 -0.534 85.3 -95.7 -98.9 177.3 -9.2 -5.5 -6.2 22 22 A T B >> -E 55 0B 32 -2,-0.2 4,-1.0 33,-0.2 3,-0.6 -0.303 21.2-105.6-104.3 173.2 -5.9 -6.6 -4.6 23 23 A I H 3> S+ 0 0 1 31,-1.5 4,-2.7 29,-1.0 30,-0.2 0.823 119.7 63.4 -65.3 -29.5 -2.9 -5.3 -2.8 24 24 A E H 3> S+ 0 0 116 28,-1.3 4,-1.9 30,-0.2 -1,-0.3 0.890 99.2 53.5 -55.8 -40.7 -1.0 -5.9 -6.0 25 25 A N H <4 S+ 0 0 79 -3,-0.6 4,-0.4 27,-0.2 -2,-0.2 0.747 107.4 51.1 -67.0 -26.8 -3.3 -3.3 -7.5 26 26 A V H >X S+ 0 0 1 -4,-1.0 3,-1.2 1,-0.2 4,-1.2 0.939 109.8 50.0 -71.8 -43.2 -2.3 -1.0 -4.7 27 27 A K H 3X S+ 0 0 24 -4,-2.7 4,-2.4 1,-0.2 9,-0.2 0.835 99.4 64.0 -63.4 -33.6 1.3 -1.6 -5.4 28 28 A A H 3X S+ 0 0 51 -4,-1.9 4,-0.8 2,-0.2 -1,-0.2 0.702 102.4 50.3 -64.2 -14.9 1.2 -0.9 -9.1 29 29 A K H <> S+ 0 0 93 -3,-1.2 4,-2.9 -4,-0.4 -1,-0.2 0.865 111.6 46.4 -85.0 -39.1 0.2 2.7 -8.5 30 30 A I H X>S+ 0 0 0 -4,-1.2 4,-2.0 2,-0.2 5,-1.9 0.860 112.2 52.8 -63.3 -40.9 3.0 3.2 -6.0 31 31 A Q H <5S+ 0 0 85 -4,-2.4 -1,-0.2 4,-0.2 -2,-0.2 0.790 112.9 43.3 -68.0 -31.5 5.2 1.6 -8.6 32 32 A D H <5S+ 0 0 137 -4,-0.8 -2,-0.2 -5,-0.2 -3,-0.2 0.972 121.0 41.2 -71.1 -59.7 4.0 4.0 -11.3 33 33 A K H <5S+ 0 0 144 -4,-2.9 -3,-0.2 1,-0.1 -2,-0.2 0.906 135.4 5.7 -51.1 -67.3 4.2 7.0 -9.1 34 34 A E T <5S- 0 0 91 -4,-2.0 -3,-0.2 -5,-0.2 -1,-0.1 0.894 95.8-122.3 -89.5 -48.0 7.4 6.8 -7.1 35 35 A G < + 0 0 51 -5,-1.9 -4,-0.2 1,-0.3 -3,-0.1 0.877 52.5 144.1 96.5 71.8 9.0 3.7 -8.5 36 36 A I - 0 0 24 -9,-0.2 -1,-0.3 -6,-0.1 -2,-0.1 -0.998 50.5-117.4-128.7 132.4 9.7 1.0 -6.0 37 37 A P >> - 0 0 51 0, 0.0 4,-1.9 0, 0.0 3,-1.1 -0.423 27.0-110.1 -83.0 158.3 9.3 -2.5 -7.3 38 38 A P T 34 S+ 0 0 59 0, 0.0 -11,-0.0 0, 0.0 -10,-0.0 0.635 115.9 53.9 -73.9 -20.9 6.6 -4.6 -5.6 39 39 A D T 34 S+ 0 0 104 1,-0.2 0, 0.0 3,-0.1 0, 0.0 0.795 113.3 44.4 -65.6 -41.3 9.1 -6.9 -3.8 40 40 A Q T <4 S+ 0 0 68 -3,-1.1 32,-1.8 31,-0.1 2,-0.5 0.695 98.2 88.9 -77.6 -34.5 10.8 -3.9 -2.3 41 41 A Q E < -C 71 0A 2 -4,-1.9 2,-0.5 30,-0.2 30,-0.2 -0.723 55.8-177.2 -59.1 124.2 7.6 -2.3 -1.4 42 42 A R E -C 70 0A 108 28,-2.0 28,-2.1 -2,-0.5 2,-0.6 -0.981 8.1-160.9-127.4 120.2 6.2 -3.2 1.9 43 43 A L E -C 69 0A 2 -2,-0.5 7,-1.9 7,-0.2 2,-0.5 -0.908 5.0-167.0-111.7 120.2 2.8 -1.9 3.0 44 44 A I E -CD 68 49A 24 24,-2.7 24,-3.0 -2,-0.6 2,-0.6 -0.865 7.5-170.3-105.7 112.3 2.0 -1.9 6.7 45 45 A F E > S- D 0 48A 56 3,-2.1 3,-2.0 -2,-0.5 2,-1.1 -0.917 75.1 -42.0 -99.2 120.8 -1.6 -1.2 7.9 46 46 A A T 3 S- 0 0 83 -2,-0.6 -2,-0.1 20,-0.5 3,-0.0 -0.293 123.6 -32.8 65.3-102.1 -1.4 -0.8 11.6 47 47 A G T 3 S+ 0 0 73 -2,-1.1 2,-0.3 1,-0.0 -1,-0.3 -0.053 119.6 88.8-142.3 55.2 1.0 -3.5 12.5 48 48 A K E < -D 45 0A 133 -3,-2.0 -3,-2.1 0, 0.0 2,-0.4 -0.986 69.9-131.0-135.1 139.2 0.2 -6.1 9.9 49 49 A Q E -D 44 0A 100 -2,-0.3 -5,-0.2 -5,-0.2 2,-0.2 -0.722 32.4-118.5 -82.5 133.9 1.7 -6.4 6.4 50 50 A L - 0 0 3 -7,-1.9 -7,-0.2 -2,-0.4 2,-0.1 -0.468 23.5-122.1 -77.8 131.0 -1.0 -6.8 3.8 51 51 A E > - 0 0 98 -2,-0.2 3,-0.8 4,-0.1 -28,-0.4 -0.409 17.6-126.9 -75.7 160.0 -0.9 -10.0 1.8 52 52 A D T 3 S+ 0 0 84 1,-0.2 -28,-1.3 -29,-0.1 -29,-1.0 0.926 99.0 43.1 -69.8 -53.0 -0.6 -9.6 -2.0 53 53 A G T 3 S+ 0 0 60 -31,-0.2 2,-0.3 -30,-0.2 -1,-0.2 -0.034 97.2 90.3-100.4 23.6 -3.6 -11.6 -3.4 54 54 A R S < S- 0 0 113 -3,-0.8 -31,-1.5 1,-0.1 -30,-0.2 -0.752 71.9-118.2-116.6 160.7 -6.2 -10.4 -0.9 55 55 A T B > -E 22 0B 28 -2,-0.3 4,-1.0 -33,-0.2 -35,-0.2 -0.192 22.7-110.7 -95.0 177.8 -8.4 -7.5 -1.2 56 56 A L H >>S+ 0 0 1 -37,-1.7 5,-2.8 -35,-0.8 4,-2.2 0.857 117.6 59.6 -78.2 -30.0 -8.9 -4.3 0.8 57 57 A S H 45S+ 0 0 69 -38,-1.8 -1,-0.2 3,-0.2 -37,-0.1 0.735 98.4 60.4 -62.1 -19.6 -12.2 -5.6 2.1 58 58 A D H 45S+ 0 0 105 -39,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.948 113.3 34.1 -77.6 -46.3 -10.4 -8.6 3.5 59 59 A Y H <5S- 0 0 46 -4,-1.0 -2,-0.2 2,-0.1 -1,-0.2 0.790 114.9-117.6 -73.5 -31.5 -8.3 -6.5 5.8 60 60 A N T <5 + 0 0 101 -4,-2.2 2,-0.5 1,-0.3 -3,-0.2 0.838 54.4 161.5 87.1 53.2 -11.1 -4.0 6.2 61 61 A I < + 0 0 3 -5,-2.8 -1,-0.3 -42,-0.1 2,-0.2 -0.897 14.4 174.6-101.3 132.3 -9.2 -1.1 4.7 62 62 A Q > - 0 0 115 -2,-0.5 3,-0.7 1,-0.2 -5,-0.0 -0.629 37.1 -43.7-128.3 177.1 -11.6 1.7 3.7 63 63 A K T 3 S+ 0 0 129 1,-0.2 -60,-0.2 -2,-0.2 -1,-0.2 -0.182 121.5 11.4 -51.3 128.1 -11.8 5.2 2.3 64 64 A E T 3 S+ 0 0 119 -62,-3.0 2,-0.3 1,-0.2 -1,-0.2 0.934 89.1 148.6 63.7 52.2 -9.3 7.5 3.9 65 65 A S < - 0 0 25 -3,-0.7 -61,-2.8 -63,-0.3 2,-0.5 -0.877 44.5-122.0-113.5 146.0 -7.3 4.9 5.7 66 66 A T E -b 4 0A 46 -2,-0.3 -20,-0.5 -63,-0.2 2,-0.4 -0.760 26.7-178.9-101.3 118.7 -3.6 5.3 6.4 67 67 A L E -b 5 0A 2 -63,-2.9 -61,-2.3 -2,-0.5 2,-0.5 -0.885 21.8-132.8-108.9 145.8 -1.1 2.7 5.2 68 68 A H E -bC 6 44A 75 -24,-3.0 -24,-2.7 -2,-0.4 2,-0.6 -0.888 10.5-151.3-109.3 128.5 2.6 2.9 5.9 69 69 A L E + C 0 43A 4 -63,-3.7 2,-0.3 -2,-0.5 -26,-0.2 -0.793 30.9 149.0-102.6 111.5 5.2 2.4 3.2 70 70 A V E - C 0 42A 43 -28,-2.1 -28,-2.0 -2,-0.6 2,-0.2 -0.872 39.0-104.1-132.2 174.4 8.5 1.1 4.4 71 71 A L E - C 0 41A 90 -2,-0.3 2,-0.5 -30,-0.2 -30,-0.2 -0.531 6.4-133.6-105.5 171.9 10.9 -1.1 2.4 72 72 A R + 0 0 172 -32,-1.8 2,-0.1 -2,-0.2 4,-0.1 -0.935 34.5 156.8-119.5 111.1 12.2 -4.6 2.1 73 73 A L - 0 0 100 -2,-0.5 3,-0.0 2,-0.4 -1,-0.0 -0.119 60.0 -71.1 -99.2-139.5 15.9 -4.9 1.9 74 74 A R S S+ 0 0 220 -2,-0.1 -1,-0.1 1,-0.0 2,-0.0 0.927 107.8 37.6 -88.4 -69.8 17.6 -8.1 2.9 75 75 A G 0 0 69 -3,-0.1 -2,-0.4 1,-0.0 -1,-0.0 -0.296 360.0 360.0 -77.7 174.3 17.5 -8.6 6.6 76 76 A G 0 0 155 -4,-0.1 -4,-0.0 -3,-0.0 -1,-0.0 -0.882 360.0 360.0-152.4 360.0 14.6 -7.7 8.9