==== 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 SIGNALING PROTEIN 10-SEP-08 2K8H . COMPND 2 MOLECULE: SMALL UBIQUITIN PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: TRYPANOSOMA BRUCEI; . AUTHOR Q.SHANG,X.TU . 102 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8072.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 47 46.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 6.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 11.8 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 . 1 1.0 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 . 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 . 10 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 2 2.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 14 13.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 1.0 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 0 0 0 1 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 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 PARALLEL BRIDGES PER LADDER . 1 0 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 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 0 237 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 119.7 2.1 -0.0 -1.2 2 2 A S + 0 0 118 2,-0.0 2,-0.2 0, 0.0 0, 0.0 -0.972 360.0 166.4-165.2 151.0 5.9 -0.3 -1.1 3 3 A N + 0 0 151 -2,-0.3 2,-0.3 2,-0.0 0, 0.0 -0.747 13.1 147.6-173.3 121.0 8.8 -1.8 -3.1 4 4 A N + 0 0 168 -2,-0.2 2,-0.3 2,-0.0 -2,-0.0 -0.852 7.9 164.3-145.6 180.0 12.6 -1.3 -2.9 5 5 A G - 0 0 73 -2,-0.3 2,-0.2 2,-0.0 -2,-0.0 -0.894 14.7-147.8 170.1 160.9 15.9 -3.1 -3.4 6 6 A G - 0 0 49 -2,-0.3 92,-0.0 94,-0.0 93,-0.0 -0.689 26.6 -91.1-134.4-172.5 19.6 -2.8 -3.8 7 7 A E - 0 0 160 -2,-0.2 93,-0.2 1,-0.1 -2,-0.0 -0.670 43.2 -96.1-105.1 160.5 22.6 -4.4 -5.5 8 8 A P + 0 0 111 0, 0.0 -1,-0.1 0, 0.0 91,-0.1 -0.222 38.7 165.1 -69.7 161.7 25.0 -7.1 -4.2 9 9 A S + 0 0 70 91,-0.1 89,-0.1 0, 0.0 -2,-0.0 -0.080 13.7 161.0-176.4 59.1 28.4 -6.3 -2.6 10 10 A N + 0 0 110 1,-0.1 56,-0.0 2,-0.0 55,-0.0 -0.073 46.6 60.8 -77.9-176.8 29.9 -9.2 -0.7 11 11 A N + 0 0 147 54,-0.0 -1,-0.1 2,-0.0 54,-0.0 0.994 59.5 174.7 59.1 68.4 33.6 -9.6 0.3 12 12 A G - 0 0 51 1,-0.0 53,-0.0 64,-0.0 -2,-0.0 0.991 49.7 -80.0 -66.9 -80.4 33.9 -6.6 2.5 13 13 A G - 0 0 46 64,-0.0 64,-0.5 63,-0.0 -1,-0.0 0.036 49.2-173.7 168.8 69.6 37.4 -6.7 4.1 14 14 A E - 0 0 169 1,-0.1 64,-0.1 62,-0.1 63,-0.0 0.044 2.6-178.8 -64.4-179.9 38.0 -9.0 7.0 15 15 A G + 0 0 35 62,-0.1 -1,-0.1 61,-0.0 63,-0.1 0.223 14.7 169.3-142.9 -89.1 41.3 -9.1 8.9 16 16 A A + 0 0 69 1,-0.1 2,-0.1 0, 0.0 62,-0.0 0.993 37.5 125.7 58.2 76.3 42.1 -11.3 11.9 17 17 A E + 0 0 177 2,-0.1 2,-0.3 0, 0.0 -1,-0.1 -0.592 30.2 93.9-165.9 95.8 45.9 -10.8 12.3 18 18 A G - 0 0 61 -2,-0.1 62,-0.0 2,-0.0 0, 0.0 -0.897 57.8-109.3 179.4 150.7 47.5 -9.7 15.5 19 19 A T - 0 0 111 -2,-0.3 2,-0.3 1,-0.0 -2,-0.1 -0.050 25.3-135.3 -77.6-175.4 49.2 -10.9 18.7 20 20 A C + 0 0 119 1,-0.1 3,-0.0 0, 0.0 -2,-0.0 -0.844 44.1 130.8-151.0 108.6 47.8 -10.9 22.2 21 21 A K - 0 0 182 -2,-0.3 -1,-0.1 1,-0.0 0, 0.0 0.659 64.9 -98.2-118.3 -74.3 49.8 -9.7 25.3 22 22 A E - 0 0 162 2,-0.0 24,-0.1 24,-0.0 -1,-0.0 -0.108 42.2-178.8-177.7 -69.6 48.0 -7.2 27.5 23 23 A E - 0 0 114 1,-0.1 2,-0.4 23,-0.1 21,-0.0 0.262 27.3-114.8 63.0 163.5 48.9 -3.6 27.1 24 24 A T + 0 0 121 2,-0.0 2,-0.3 22,-0.0 -1,-0.1 -0.912 54.7 113.6-141.1 110.8 47.4 -0.7 29.1 25 25 A A - 0 0 43 -2,-0.4 2,-0.4 2,-0.0 21,-0.2 -0.977 43.3-138.8-168.3 159.9 45.2 2.0 27.7 26 26 A L + 0 0 134 -2,-0.3 2,-0.4 18,-0.2 18,-0.2 -0.977 23.3 168.1-134.5 121.2 41.7 3.4 27.7 27 27 A V E -A 43 0A 7 16,-2.2 16,-2.4 -2,-0.4 2,-0.4 -0.997 24.9-138.2-135.7 133.7 39.8 4.7 24.6 28 28 A A E -Ab 42 90A 32 61,-0.6 63,-1.6 -2,-0.4 2,-0.4 -0.726 18.8-163.8 -92.1 136.8 36.1 5.6 24.2 29 29 A V E -Ab 41 91A 1 12,-2.6 12,-2.2 -2,-0.4 2,-0.5 -0.945 7.1-165.3-122.7 142.3 34.2 4.5 21.1 30 30 A K E -Ab 40 92A 90 61,-2.2 63,-2.3 -2,-0.4 2,-0.6 -0.948 4.8-161.7-130.7 112.7 30.9 5.7 19.7 31 31 A V E -Ab 39 93A 1 8,-2.5 8,-2.0 -2,-0.5 2,-0.3 -0.827 14.2-175.7 -97.0 121.0 29.0 3.8 17.0 32 32 A V E - b 0 94A 26 61,-2.0 63,-2.4 -2,-0.6 2,-0.3 -0.745 9.0-152.4-112.9 161.6 26.4 5.7 15.1 33 33 A N E > - b 0 95A 34 -2,-0.3 3,-0.9 61,-0.2 63,-0.1 -0.952 28.1-121.0-133.8 153.0 23.9 4.7 12.4 34 34 A A T 3 S+ 0 0 79 61,-0.8 62,-0.1 -2,-0.3 -1,-0.1 0.749 116.7 55.2 -61.6 -23.5 22.1 6.5 9.5 35 35 A D T 3 S- 0 0 163 2,-0.2 -1,-0.3 1,-0.0 3,-0.1 0.742 121.8-107.4 -81.0 -25.1 18.9 5.5 11.2 36 36 A G S < S+ 0 0 38 -3,-0.9 -3,-0.2 1,-0.4 -2,-0.1 -0.127 75.3 132.1 125.7 -37.7 19.9 7.2 14.5 37 37 A A + 0 0 60 -5,-0.1 -1,-0.4 1,-0.0 2,-0.3 -0.263 31.7 156.1 -51.7 121.2 20.6 4.2 16.7 38 38 A E - 0 0 103 -6,-0.2 2,-0.3 -3,-0.1 -6,-0.2 -0.975 23.3-171.8-148.2 159.6 23.9 4.8 18.4 39 39 A M E -A 31 0A 53 -8,-2.0 -8,-2.5 -2,-0.3 2,-0.3 -0.967 4.3-162.8-157.0 137.8 25.9 3.8 21.5 40 40 A F E +A 30 0A 143 -2,-0.3 2,-0.3 -10,-0.3 -10,-0.2 -0.935 14.8 162.9-124.8 147.2 29.1 4.8 23.1 41 41 A F E -A 29 0A 132 -12,-2.2 -12,-2.6 -2,-0.3 2,-0.6 -0.988 37.0-111.0-159.2 153.6 31.3 3.1 25.7 42 42 A R E +A 28 0A 211 -2,-0.3 2,-0.3 -14,-0.2 -14,-0.2 -0.797 44.6 159.9 -93.8 122.4 34.8 3.2 27.2 43 43 A I E -A 27 0A 45 -16,-2.4 -16,-2.2 -2,-0.6 5,-0.1 -0.980 47.3 -83.2-141.4 152.6 37.0 0.2 26.4 44 44 A K > - 0 0 95 -2,-0.3 3,-1.3 -18,-0.2 -18,-0.2 -0.262 36.5-127.1 -54.8 133.2 40.7 -0.6 26.3 45 45 A S T 3 S+ 0 0 13 1,-0.3 3,-0.5 3,-0.1 4,-0.2 0.820 106.9 71.0 -51.6 -32.6 42.4 0.5 23.1 46 46 A R T 3 S+ 0 0 26 1,-0.3 2,-0.3 -21,-0.2 -1,-0.3 0.908 118.8 10.2 -51.3 -47.0 43.7 -3.1 22.7 47 47 A T S < S+ 0 0 63 -3,-1.3 -1,-0.3 1,-0.1 -3,-0.2 -0.820 85.7 113.7-141.4 98.7 40.1 -4.3 22.0 48 48 A A S > S+ 0 0 3 -3,-0.5 4,-2.0 -2,-0.3 5,-0.1 0.618 78.2 45.0-127.3 -53.6 37.4 -1.8 21.3 49 49 A L H > S+ 0 0 2 -4,-0.2 4,-2.6 2,-0.2 5,-0.3 0.814 111.1 58.3 -66.2 -30.5 36.2 -2.1 17.7 50 50 A K H > S+ 0 0 76 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.952 112.8 36.2 -64.2 -51.5 36.1 -5.8 18.1 51 51 A K H > S+ 0 0 125 2,-0.2 4,-2.6 3,-0.2 5,-0.3 0.793 116.0 57.8 -72.2 -28.7 33.7 -5.9 21.0 52 52 A L H X S+ 0 0 6 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.960 114.9 33.4 -66.0 -53.1 31.8 -2.9 19.5 53 53 A I H X S+ 0 0 19 -4,-2.6 4,-2.2 2,-0.2 5,-0.2 0.829 121.3 51.3 -72.3 -32.9 31.0 -4.6 16.2 54 54 A D H X S+ 0 0 66 -4,-2.0 4,-2.2 -5,-0.3 -2,-0.2 0.898 115.0 41.2 -70.6 -41.9 30.7 -8.0 17.9 55 55 A T H X S+ 0 0 53 -4,-2.6 4,-2.3 2,-0.2 5,-0.2 0.870 117.0 48.6 -73.7 -38.2 28.3 -6.7 20.5 56 56 A Y H X S+ 0 0 24 -4,-2.1 4,-2.3 -5,-0.3 -2,-0.2 0.908 117.0 41.4 -68.4 -43.2 26.3 -4.6 18.1 57 57 A C H X>S+ 0 0 3 -4,-2.2 5,-2.6 2,-0.2 4,-1.0 0.931 117.6 46.4 -70.1 -47.4 26.0 -7.4 15.5 58 58 A K H <5S+ 0 0 162 -4,-2.2 3,-0.2 -5,-0.2 -2,-0.2 0.904 115.9 46.4 -61.9 -42.8 25.3 -10.1 18.2 59 59 A K H <5S+ 0 0 178 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.928 109.4 52.9 -65.9 -46.5 22.7 -7.8 19.9 60 60 A Q H <5S- 0 0 110 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.714 115.1-119.6 -62.3 -19.7 21.0 -6.8 16.6 61 61 A G T <5S+ 0 0 63 -4,-1.0 2,-0.4 1,-0.3 -3,-0.2 0.760 76.5 111.0 85.1 26.6 20.7 -10.5 16.0 62 62 A I < - 0 0 61 -5,-2.6 -1,-0.3 -6,-0.2 -2,-0.2 -0.999 67.1-115.6-137.3 136.5 22.7 -10.4 12.8 63 63 A S - 0 0 76 -2,-0.4 2,-1.3 1,-0.1 3,-0.1 0.022 42.8 -92.9 -58.6 172.4 26.2 -11.9 11.9 64 64 A R S S+ 0 0 176 1,-0.2 -1,-0.1 2,-0.1 3,-0.1 -0.296 102.8 93.2 -86.2 51.5 29.1 -9.6 11.0 65 65 A N S S+ 0 0 112 -2,-1.3 -1,-0.2 1,-0.1 -2,-0.1 -0.257 80.2 44.2-137.6 47.5 28.4 -9.9 7.3 66 66 A S S S+ 0 0 42 1,-0.2 2,-0.3 -3,-0.1 33,-0.1 0.142 90.0 85.1-179.1 35.4 26.1 -6.9 6.6 67 67 A V - 0 0 34 -3,-0.1 2,-0.8 30,-0.1 -1,-0.2 -0.905 56.0-151.1-153.1 119.9 27.6 -3.8 8.3 68 68 A R E -C 96 0A 90 28,-2.5 28,-2.1 -2,-0.3 2,-0.8 -0.816 12.0-162.8 -95.6 110.8 30.3 -1.4 7.1 69 69 A F E +C 95 0A 3 -2,-0.8 7,-2.0 26,-0.2 2,-0.3 -0.814 19.2 168.6 -97.0 104.7 32.2 0.1 10.1 70 70 A L E -CD 94 75A 44 24,-1.1 24,-2.3 -2,-0.8 2,-0.5 -0.847 24.6-151.0-116.4 152.8 34.2 3.1 8.9 71 71 A F S S- 0 0 33 3,-1.0 3,-0.5 -2,-0.3 22,-0.1 -0.915 77.4 -33.5-127.7 105.6 36.0 5.8 10.9 72 72 A D S S- 0 0 145 -2,-0.5 -1,-0.1 1,-0.3 21,-0.1 0.819 134.6 -34.5 55.6 31.6 36.2 9.3 9.4 73 73 A G S S+ 0 0 60 1,-0.1 -1,-0.3 21,-0.1 -3,-0.0 0.531 113.7 120.8 100.3 9.2 36.4 7.7 6.0 74 74 A T - 0 0 38 -3,-0.5 2,-1.2 2,-0.1 -3,-1.0 -0.740 46.6-163.5-109.6 83.8 38.3 4.6 7.2 75 75 A P B +D 70 0A 64 0, 0.0 2,-0.3 0, 0.0 -5,-0.3 -0.520 37.0 131.7 -69.8 95.9 36.2 1.6 6.4 76 76 A I - 0 0 51 -7,-2.0 2,-0.5 -2,-1.2 -62,-0.1 -0.994 49.4-144.8-148.0 151.3 37.8 -1.2 8.5 77 77 A D + 0 0 47 -64,-0.5 2,-0.3 -2,-0.3 -62,-0.1 -0.806 62.3 76.3-121.0 89.5 36.6 -3.9 10.9 78 78 A E S S- 0 0 24 -2,-0.5 -29,-0.1 -63,-0.1 -2,-0.1 -0.955 72.0-119.8-179.4 164.7 39.2 -4.3 13.7 79 79 A T S S+ 0 0 6 -2,-0.3 -31,-0.0 -30,-0.1 -1,-0.0 0.152 107.6 54.3-104.0 16.7 40.6 -2.9 16.9 80 80 A K S > S+ 0 0 57 3,-0.1 4,-2.5 2,-0.1 5,-0.3 0.707 102.0 50.7-114.9 -41.6 44.1 -2.5 15.5 81 81 A T H > S+ 0 0 49 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.985 120.9 32.8 -62.4 -61.0 43.6 -0.4 12.4 82 82 A P H > S+ 0 0 6 0, 0.0 4,-1.5 0, 0.0 5,-0.5 0.697 118.3 59.0 -69.8 -19.4 41.5 2.4 14.0 83 83 A E H > S+ 0 0 37 3,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.951 114.1 31.9 -74.7 -52.4 43.4 1.9 17.2 84 84 A E H < S+ 0 0 146 -4,-2.5 -3,-0.2 1,-0.2 -1,-0.1 0.748 123.6 50.1 -76.5 -24.7 46.9 2.6 15.8 85 85 A L H < S+ 0 0 95 -4,-1.8 -2,-0.2 -5,-0.3 -1,-0.2 0.823 123.6 28.5 -82.0 -34.0 45.4 5.1 13.3 86 86 A G H < - 0 0 23 -4,-1.5 -3,-0.2 -5,-0.2 -2,-0.2 0.927 68.8-178.0 -90.6 -59.7 43.4 7.0 15.8 87 87 A M < + 0 0 172 -4,-1.8 2,-0.3 -5,-0.5 -4,-0.1 0.762 51.4 110.3 63.4 24.7 45.3 6.7 19.1 88 88 A E S S- 0 0 113 -5,-0.1 3,-0.4 -60,-0.1 -1,-0.2 -0.902 76.7-128.9-129.7 158.3 42.4 8.7 20.7 89 89 A D S S+ 0 0 83 -2,-0.3 -61,-0.6 1,-0.2 -62,-0.1 0.257 100.6 73.6 -87.6 12.2 39.6 8.0 23.1 90 90 A D E +b 28 0A 99 -63,-0.1 2,-0.5 -61,-0.1 -1,-0.2 -0.245 62.4 157.7-118.5 43.0 37.2 9.5 20.7 91 91 A D E -b 29 0A 6 -63,-1.6 -61,-2.2 -3,-0.4 2,-0.3 -0.577 21.6-165.5 -73.3 118.3 37.1 6.8 18.1 92 92 A V E -b 30 0A 54 -2,-0.5 2,-0.4 -63,-0.2 -61,-0.2 -0.826 9.0-166.4-108.1 145.9 33.9 7.0 16.1 93 93 A I E -b 31 0A 3 -63,-2.3 -61,-2.0 -2,-0.3 2,-0.9 -0.947 6.7-158.4-135.9 114.3 32.4 4.4 13.8 94 94 A D E -bC 32 70A 69 -24,-2.3 -24,-1.1 -2,-0.4 2,-0.6 -0.803 15.1-147.1 -94.8 105.5 29.6 5.1 11.3 95 95 A A E -bC 33 69A 10 -63,-2.4 -61,-0.8 -2,-0.9 2,-0.3 -0.601 23.3-178.6 -74.9 117.4 27.8 1.8 10.4 96 96 A M E - C 0 68A 74 -28,-2.1 -28,-2.5 -2,-0.6 2,-0.5 -0.852 22.3-128.9-118.1 154.0 26.6 2.0 6.8 97 97 A V + 0 0 100 -2,-0.3 -30,-0.1 -30,-0.2 3,-0.1 -0.877 32.5 158.4-105.8 131.1 24.6 -0.5 4.7 98 98 A E + 0 0 118 -2,-0.5 2,-0.3 1,-0.2 -1,-0.1 0.009 64.5 40.9-137.1 27.0 25.8 -1.6 1.3 99 99 A Q - 0 0 72 -33,-0.1 2,-0.5 -91,-0.1 -1,-0.2 -0.912 66.2-133.8-172.9 144.9 24.0 -4.9 0.8 100 100 A T + 0 0 103 -2,-0.3 -91,-0.1 -93,-0.2 -94,-0.0 -0.918 43.3 130.2-111.0 128.8 20.7 -6.5 1.5 101 101 A G 0 0 62 -2,-0.5 -1,-0.1 1,-0.3 -35,-0.1 0.479 360.0 360.0-135.3 -71.4 20.3 -10.0 3.0 102 102 A G 0 0 122 -36,-0.0 -1,-0.3 0, 0.0 -40,-0.0 -0.207 360.0 360.0 -75.7 360.0 18.0 -10.4 5.9