==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-AUG-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SIGNALING PROTEIN 06-SEP-11 2LJ5 . COMPND 2 MOLECULE: UBIQUITIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.DE SIMONE,R.MONTALVAO,M.VENDRUSCOLO . 76 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4669.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 51 67.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 6.6 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 . 6 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 12 15.8 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+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 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 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 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 66 0, 0.0 16,-3.0 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 128.2 25.1 14.8 39.3 2 2 A Q E +A 16 0A 67 14,-0.2 62,-2.8 12,-0.0 2,-0.3 -0.608 360.0 158.3 -85.2 125.7 21.9 16.3 37.8 3 3 A I E -A 15 0A 0 12,-1.6 12,-1.5 -2,-0.4 2,-0.4 -0.951 23.8-147.3-114.2 153.6 21.6 19.4 35.6 4 4 A F E -Ab 14 66A 46 61,-1.7 63,-2.5 -2,-0.3 2,-0.4 -0.941 3.7-157.1-118.3 145.8 18.7 20.2 33.2 5 5 A V E -Ab 13 67A 0 8,-2.2 8,-3.2 -2,-0.4 2,-0.4 -0.986 11.6-167.9-112.3 126.6 18.8 22.0 29.8 6 6 A K E -Ab 12 68A 88 61,-3.2 63,-2.2 -2,-0.4 6,-0.2 -0.848 18.5-123.2-106.2 147.0 15.5 23.6 28.6 7 7 A T E > - b 0 69A 13 4,-2.7 3,-0.6 -2,-0.4 63,-0.1 -0.352 13.3-119.9 -88.5 174.1 15.0 24.9 25.1 8 8 A L T 3 S+ 0 0 98 61,-0.6 62,-0.1 1,-0.2 -1,-0.1 0.804 112.2 40.8 -81.5 -31.7 14.1 28.1 23.4 9 9 A T T 3 S- 0 0 148 2,-0.1 -1,-0.2 0, 0.0 2,-0.2 0.312 126.6 -70.0 -84.8 -5.7 11.0 26.5 21.7 10 10 A G S < S+ 0 0 35 -3,-0.6 -3,-0.2 1,-0.3 0, 0.0 -0.767 85.7 76.0 156.3-129.9 9.6 24.4 24.4 11 11 A K - 0 0 120 -2,-0.2 -4,-2.7 -5,-0.1 2,-0.3 0.458 56.8-116.1 -25.6 160.8 10.8 21.1 26.0 12 12 A T E -A 6 0A 73 -6,-0.2 2,-0.4 -8,-0.0 -6,-0.3 -0.868 14.3-148.0-114.4 149.8 13.4 20.0 28.6 13 13 A I E -A 5 0A 8 -8,-3.2 -8,-2.2 -2,-0.3 2,-0.4 -0.926 15.2-134.3-120.2 135.0 16.5 17.8 28.3 14 14 A T E -A 4 0A 91 -2,-0.4 2,-0.4 -10,-0.2 -10,-0.2 -0.830 25.2-177.1-102.7 133.1 17.8 15.6 31.1 15 15 A L E -A 3 0A 8 -12,-1.5 -12,-1.6 -2,-0.4 2,-0.6 -0.994 23.6-158.3-134.7 131.5 21.5 15.5 31.9 16 16 A E E +A 2 0A 133 -2,-0.4 -14,-0.2 -14,-0.2 2,-0.2 -0.953 35.5 159.4-103.2 117.2 23.8 13.6 34.2 17 17 A V - 0 0 8 -16,-3.0 3,-0.0 -2,-0.6 -2,-0.0 -0.670 36.9-119.9-110.5-177.1 27.0 15.6 34.7 18 18 A E > - 0 0 107 -2,-0.2 3,-2.3 1,-0.0 38,-0.3 -0.949 28.7-118.6-114.8 150.4 30.0 16.0 37.2 19 19 A P T 3 S+ 0 0 67 0, 0.0 38,-1.2 0, 0.0 42,-0.1 0.785 116.8 55.2 -50.6 -33.5 30.8 19.2 39.0 20 20 A S T 3 S+ 0 0 96 36,-0.2 2,-0.1 35,-0.1 0, 0.0 0.298 78.4 120.6 -81.4 7.6 34.1 19.1 37.1 21 21 A D < - 0 0 19 -3,-2.3 35,-1.8 1,-0.1 36,-0.2 -0.415 61.0-129.1 -71.2 139.2 32.6 18.9 33.6 22 22 A T B > -E 55 0B 49 33,-0.2 4,-1.4 -2,-0.1 3,-0.4 -0.470 24.1-107.3 -82.9 162.7 33.7 21.7 31.3 23 23 A I H > S+ 0 0 0 31,-2.4 4,-1.8 28,-0.3 3,-0.2 0.927 123.3 57.9 -70.2 -26.6 31.1 23.8 29.4 24 24 A E H > S+ 0 0 121 28,-2.2 4,-2.9 1,-0.2 -1,-0.3 0.920 99.9 59.2 -58.7 -39.5 32.2 22.0 26.2 25 25 A N H > S+ 0 0 72 -3,-0.4 4,-2.6 27,-0.2 5,-0.3 0.916 103.7 51.0 -57.0 -48.2 31.4 18.7 27.9 26 26 A V H X S+ 0 0 0 -4,-1.4 4,-2.8 -3,-0.2 5,-0.2 0.978 112.2 45.6 -56.9 -48.1 27.7 19.9 28.3 27 27 A K H X S+ 0 0 5 -4,-1.8 4,-2.0 1,-0.2 -2,-0.2 0.889 112.8 49.5 -66.9 -38.4 27.4 20.8 24.6 28 28 A A H X S+ 0 0 46 -4,-2.9 4,-1.5 2,-0.2 -1,-0.2 0.912 111.8 49.0 -64.7 -43.9 29.1 17.5 23.5 29 29 A K H >X S+ 0 0 65 -4,-2.6 4,-2.0 2,-0.2 3,-0.5 0.932 114.1 46.5 -48.1 -56.3 26.7 15.5 25.7 30 30 A I H 3X S+ 0 0 3 -4,-2.8 4,-2.4 -5,-0.3 6,-0.5 0.840 104.7 61.4 -57.4 -37.1 23.8 17.6 24.2 31 31 A Q H 3X S+ 0 0 93 -4,-2.0 4,-0.8 -5,-0.2 -1,-0.2 0.814 107.3 45.7 -65.6 -29.5 25.2 17.0 20.7 32 32 A D H << S+ 0 0 109 -4,-1.5 -2,-0.2 -3,-0.5 -1,-0.2 0.848 111.8 52.4 -62.2 -46.1 24.7 13.3 21.4 33 33 A K H < S- 0 0 120 -4,-2.0 -2,-0.2 1,-0.2 -3,-0.2 0.974 135.0 -3.1 -74.0 -33.1 21.2 13.8 22.8 34 34 A E H < S- 0 0 76 -4,-2.4 -1,-0.2 2,-0.1 -3,-0.2 0.304 92.8-107.9-139.9 10.1 19.7 15.8 20.0 35 35 A G < + 0 0 58 -4,-0.8 -4,-0.2 -5,-0.4 -3,-0.1 0.748 62.6 147.1 78.1 25.2 22.3 16.5 17.3 36 36 A I - 0 0 33 -6,-0.5 -1,-0.2 -9,-0.1 -2,-0.1 -0.869 45.8-128.7 -90.4 114.1 22.9 20.3 17.9 37 37 A P >> - 0 0 62 0, 0.0 3,-2.4 0, 0.0 4,-1.1 -0.303 15.5-120.8 -68.8 145.7 26.6 21.2 17.1 38 38 A P G >4 S+ 0 0 38 0, 0.0 3,-0.9 0, 0.0 -10,-0.0 0.919 114.5 63.9 -61.8 -25.6 28.5 23.2 19.8 39 39 A D G 34 S+ 0 0 76 1,-0.3 33,-0.1 3,-0.0 -3,-0.0 0.528 103.3 47.2 -62.6 -17.6 28.9 25.9 17.1 40 40 A Q G <4 S+ 0 0 45 -3,-2.4 32,-2.3 31,-0.1 -1,-0.3 0.728 101.4 87.9 -80.6 -31.4 25.1 26.4 17.1 41 41 A Q E << +C 71 0A 1 -4,-1.1 2,-0.4 -3,-0.9 30,-0.2 -0.523 43.1 175.3 -86.3 128.1 24.7 26.5 20.9 42 42 A R E -C 70 0A 90 28,-2.2 28,-3.3 -2,-0.2 2,-0.3 -0.985 19.4-153.1-114.0 142.0 24.9 29.4 23.5 43 43 A L E -C 69 0A 0 7,-0.4 7,-2.3 -2,-0.4 2,-0.3 -0.816 12.6-171.7-108.4 142.7 24.1 28.5 27.1 44 44 A I E +CD 68 49A 57 24,-1.7 24,-1.6 -2,-0.3 2,-0.3 -0.945 15.7 160.1-133.1 143.3 22.8 31.0 29.6 45 45 A F E > S+ D 0 48A 71 3,-1.4 3,-1.9 -2,-0.3 22,-0.1 -0.859 72.7 5.3-148.7 143.4 22.1 31.2 33.3 46 46 A A T 3 S- 0 0 84 1,-0.3 3,-0.1 -2,-0.3 0, 0.0 0.834 128.5 -57.2 50.6 43.2 21.7 34.2 35.6 47 47 A G T 3 S+ 0 0 86 1,-0.2 2,-0.3 0, 0.0 -1,-0.3 0.461 116.3 105.9 69.5 3.1 21.9 36.8 32.8 48 48 A K E < -D 45 0A 66 -3,-1.9 -3,-1.4 2,-0.0 2,-0.2 -0.873 68.5-124.7-113.2 144.5 25.4 35.5 31.6 49 49 A Q E -D 44 0A 66 -2,-0.3 2,-0.8 -5,-0.2 -5,-0.2 -0.532 27.9-127.9 -80.9 143.4 26.6 33.4 28.7 50 50 A L - 0 0 1 -7,-2.3 -7,-0.4 -2,-0.2 2,-0.1 -0.868 21.9-142.4 -94.3 105.4 28.6 30.3 29.7 51 51 A E > - 0 0 73 -2,-0.8 3,-1.3 1,-0.1 -28,-0.3 -0.380 19.5-116.5 -79.0 149.1 32.0 30.2 27.8 52 52 A D T 3 S+ 0 0 53 1,-0.2 -28,-2.2 -29,-0.2 -27,-0.2 0.618 102.0 58.3 -70.3 -18.6 33.2 26.9 26.7 53 53 A G T 3 S+ 0 0 59 -30,-0.2 -1,-0.2 -31,-0.1 2,-0.2 0.431 90.0 87.3 -90.7 7.7 36.4 26.4 28.8 54 54 A R S < S- 0 0 109 -3,-1.3 -31,-2.4 1,-0.1 2,-0.3 -0.560 70.1-117.3-109.5 160.1 34.9 26.8 32.3 55 55 A T B > -E 22 0B 27 -33,-0.3 4,-1.6 -2,-0.2 -33,-0.2 -0.617 27.3-109.5 -90.0 158.0 33.4 24.3 34.7 56 56 A L T 4>S+ 0 0 5 -35,-1.8 5,-2.2 -38,-0.3 -36,-0.2 0.863 122.3 56.4 -50.6 -45.4 30.0 23.9 36.3 57 57 A S T >45S+ 0 0 70 -38,-1.2 3,-2.4 3,-0.2 -1,-0.2 0.943 101.3 54.8 -51.1 -47.6 31.9 25.0 39.5 58 58 A D T 345S+ 0 0 96 1,-0.3 -2,-0.2 2,-0.1 -1,-0.2 0.826 110.0 44.8 -63.1 -40.3 33.2 28.3 38.0 59 59 A Y T 3<5S- 0 0 23 -4,-1.6 -1,-0.3 -3,-0.1 -2,-0.2 0.278 117.5-114.5 -86.0 10.0 29.7 29.5 37.0 60 60 A N T < 5 + 0 0 129 -3,-2.4 2,-0.9 1,-0.2 -3,-0.2 0.870 47.6 177.1 54.5 61.7 28.3 28.4 40.5 61 61 A I < - 0 0 16 -5,-2.2 2,-0.3 -6,-0.2 -1,-0.2 -0.733 9.6-164.4 -97.7 114.3 25.9 25.7 39.3 62 62 A Q > - 0 0 139 -2,-0.9 3,-1.6 1,-0.1 -5,-0.0 -0.667 40.4 -70.5 -74.9 149.1 24.2 23.8 42.1 63 63 A K T 3 S+ 0 0 119 -2,-0.3 -60,-0.2 1,-0.2 -1,-0.1 0.052 115.1 14.9 -37.6 132.8 22.5 20.6 41.6 64 64 A E T 3 S+ 0 0 81 -62,-2.8 -1,-0.2 1,-0.2 -61,-0.2 0.365 78.1 159.4 62.7 20.5 19.2 20.5 39.5 65 65 A S < - 0 0 12 -3,-1.6 -61,-1.7 -63,-0.3 2,-0.5 -0.310 36.9-137.1 -61.6 105.8 19.7 24.0 38.0 66 66 A T E -b 4 0A 73 -63,-0.2 2,-0.3 -2,-0.1 -61,-0.2 -0.813 25.0-153.5 -68.5 130.3 17.5 24.2 34.9 67 67 A L E -b 5 0A 2 -63,-2.5 -61,-3.2 -2,-0.5 2,-0.8 -0.697 14.6-127.9-114.8 151.5 19.4 26.0 32.1 68 68 A H E -bC 6 44A 84 -24,-1.6 -24,-1.7 -2,-0.3 2,-0.7 -0.770 19.8-162.2 -97.6 93.6 18.5 28.0 29.1 69 69 A L E -bC 7 43A 1 -63,-2.2 -61,-0.6 -2,-0.8 -26,-0.2 -0.780 15.5-172.1 -79.8 119.1 20.1 26.7 25.8 70 70 A V E - C 0 42A 35 -28,-3.3 -28,-2.2 -2,-0.7 2,-0.4 -0.481 8.6-133.2-103.9 171.8 20.0 29.5 23.2 71 71 A L E - C 0 41A 74 -30,-0.2 -30,-0.2 -2,-0.2 2,-0.1 -0.989 5.2-138.4-141.9 132.1 20.9 29.3 19.4 72 72 A R - 0 0 54 -32,-2.3 -30,-0.1 -2,-0.4 4,-0.0 -0.459 17.1-140.6 -45.8 156.3 22.8 31.1 16.6 73 73 A L S S- 0 0 177 3,-0.2 -1,-0.2 -2,-0.1 3,-0.1 0.929 82.9 -57.5 -78.7 -57.3 21.2 31.4 13.2 74 74 A R S S+ 0 0 133 1,-0.3 2,-0.3 2,-0.1 -2,-0.1 0.542 107.6 42.2-141.0 -58.0 24.8 30.7 12.0 75 75 A G 0 0 64 1,-0.2 -1,-0.3 -3,-0.0 -2,-0.1 -0.920 360.0 360.0-171.3 156.0 27.1 33.5 13.5 76 76 A G 0 0 77 -2,-0.3 -3,-0.2 -3,-0.1 -1,-0.2 0.463 360.0 360.0 -78.0 360.0 28.3 35.3 15.3