==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=16-NOV-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SIGNALING PROTEIN/INHIBITOR 12-OCT-12 4HJK . COMPND 2 MOLECULE: UBIQUITIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.M.MURRAY,L.ROUGE . 77 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4599.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 48 62.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 7.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 15 19.5 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 . 2 2.6 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 . 5 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 8 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 11 14.3 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+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 . 2 1 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 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 0 108 0, 0.0 2,-0.3 0, 0.0 18,-0.2 0.000 360.0 360.0 360.0 144.0 -1.7 -5.6 -1.9 2 1 A M E -A 18 0A 21 16,-2.9 16,-2.6 61,-0.1 2,-0.4 -0.997 360.0-123.6-140.8 150.5 0.2 -7.8 0.5 3 2 A Q E +A 17 0A 82 -2,-0.3 62,-3.5 14,-0.2 63,-0.3 -0.741 33.3 172.2 -90.2 130.2 0.7 -7.5 4.2 4 3 A I E -A 16 0A 0 12,-2.5 12,-2.9 -2,-0.4 2,-0.3 -0.881 20.9-134.0-129.7 169.2 4.2 -7.4 5.6 5 4 A F E -Ab 15 67A 49 61,-2.8 63,-2.8 -2,-0.3 2,-0.4 -0.870 11.2-159.1-123.5 152.2 5.6 -6.8 9.0 6 5 A V E -Ab 14 68A 0 8,-2.4 8,-2.7 -2,-0.3 2,-0.7 -0.998 9.3-156.8-137.3 137.0 8.5 -4.6 10.2 7 6 A K E + b 0 69A 100 61,-2.4 63,-2.2 -2,-0.4 6,-0.1 -0.850 49.6 120.8-112.4 91.4 10.5 -4.7 13.4 8 7 A a E + 0 0 0 -2,-0.7 66,-2.3 4,-0.4 2,-0.4 0.563 59.2 65.1-126.3 -25.0 11.9 -1.2 14.0 9 8 A L E > S-Ab 12 74A 12 3,-0.7 3,-1.1 -3,-0.2 66,-0.2 -0.837 79.3-129.5 -97.6 144.2 10.5 -0.2 17.5 10 9 A T T 3 S+ 0 0 56 64,-2.7 67,-0.2 -2,-0.4 65,-0.1 0.889 103.8 38.8 -63.1 -36.7 11.6 -2.1 20.5 11 10 A G T 3 S+ 0 0 60 65,-3.2 2,-0.3 63,-0.3 -1,-0.2 0.402 115.6 43.1 -95.1 11.7 8.2 -2.8 21.9 12 11 A K E < -A 9 0A 106 -3,-1.1 -3,-0.7 64,-0.2 2,-0.6 -0.999 56.7-140.7-161.3 140.4 6.2 -3.5 18.7 13 12 A T E - 0 0 60 -2,-0.3 -6,-0.2 -6,-0.1 2,-0.2 -0.950 33.8-145.7-102.9 119.4 6.0 -5.2 15.3 14 13 A N E -A 6 0A 7 -8,-2.7 -8,-2.4 -2,-0.6 2,-0.4 -0.526 3.9-142.4 -85.8 158.3 4.4 -2.8 12.8 15 14 A T E -A 5 0A 55 -10,-0.2 2,-0.3 -2,-0.2 -10,-0.2 -0.955 19.3-178.3-122.1 135.1 2.1 -4.0 10.0 16 15 A L E -A 4 0A 3 -12,-2.9 -12,-2.5 -2,-0.4 2,-0.5 -0.950 23.8-140.2-131.0 150.1 2.1 -2.5 6.5 17 16 A E E +A 3 0A 92 -2,-0.3 2,-0.2 -14,-0.2 -14,-0.2 -0.974 40.7 156.8-108.2 126.2 0.1 -3.1 3.3 18 17 A V E -A 2 0A 2 -16,-2.6 -16,-2.9 -2,-0.5 3,-0.0 -0.752 36.4-122.0-137.8 174.4 2.4 -2.8 0.3 19 18 A E > - 0 0 108 -2,-0.2 3,-2.2 -18,-0.2 38,-0.3 -0.947 27.2-118.1-124.4 151.5 2.7 -3.9 -3.4 20 19 A P T 3 S+ 0 0 61 0, 0.0 38,-2.6 0, 0.0 37,-0.4 0.810 114.5 57.3 -57.9 -30.6 5.6 -6.0 -4.9 21 20 A S T 3 S+ 0 0 84 36,-0.2 2,-0.1 35,-0.2 -3,-0.0 0.541 80.6 113.1 -77.6 -8.8 6.3 -3.0 -7.2 22 21 A D S < S- 0 0 30 -3,-2.2 35,-2.0 34,-0.1 36,-0.2 -0.384 70.6-119.4 -64.2 141.0 6.9 -0.6 -4.3 23 22 A T B > -E 56 0B 48 33,-0.2 4,-2.3 1,-0.1 33,-0.3 -0.474 16.9-119.7 -76.5 152.6 10.5 0.6 -4.0 24 23 A I H > S+ 0 0 0 31,-2.8 4,-3.1 28,-0.4 5,-0.2 0.914 116.1 56.6 -56.2 -41.3 12.3 -0.1 -0.8 25 24 A E H > S+ 0 0 98 28,-2.4 4,-2.3 30,-0.4 -1,-0.2 0.907 107.5 47.2 -58.7 -43.1 12.7 3.7 -0.3 26 25 A N H > S+ 0 0 76 27,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.912 112.7 48.9 -66.2 -41.9 8.9 4.2 -0.5 27 26 A V H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.933 111.7 48.9 -62.0 -47.5 8.3 1.3 2.0 28 27 A K H X S+ 0 0 1 -4,-3.1 4,-2.9 1,-0.2 -2,-0.2 0.907 110.5 51.4 -58.3 -42.8 10.8 2.8 4.4 29 28 A A H X S+ 0 0 23 -4,-2.3 4,-2.5 -5,-0.2 -1,-0.2 0.885 107.8 53.0 -61.0 -41.0 9.2 6.2 4.1 30 29 A K H X S+ 0 0 88 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.930 111.7 44.8 -61.0 -45.6 5.8 4.7 4.9 31 30 A I H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 6,-0.4 0.944 113.1 52.0 -60.3 -45.7 7.3 3.0 8.0 32 31 A Q H X S+ 0 0 51 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.881 107.4 51.3 -61.5 -39.8 9.0 6.3 8.9 33 32 A D H < S+ 0 0 135 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.915 113.8 46.4 -63.5 -38.4 5.7 8.3 8.5 34 33 A K H < S+ 0 0 118 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.881 133.5 9.8 -70.8 -43.5 4.0 5.8 10.9 35 34 A I H < S- 0 0 27 -4,-2.6 -3,-0.2 2,-0.4 -2,-0.2 0.419 96.8-111.4-124.0 -3.2 6.6 5.5 13.7 36 35 A G S < S+ 0 0 60 -4,-2.4 -4,-0.2 -5,-0.4 -3,-0.1 0.529 74.9 124.6 86.7 11.2 9.2 8.3 13.1 37 36 A Y + 0 0 31 -6,-0.4 -2,-0.4 -9,-0.1 -1,-0.2 -0.953 28.6 38.6-166.5 151.9 11.9 5.8 12.2 38 37 A P S S- 0 0 0 0, 0.0 -6,-0.1 0, 0.0 -2,-0.1 0.668 74.2-127.3 -79.1 163.0 14.1 4.5 10.6 39 38 A P > - 0 0 40 0, 0.0 3,-1.9 0, 0.0 -2,-0.1 -0.397 24.8-105.9 -69.7 158.2 15.8 7.6 9.0 40 39 A D T 3 S+ 0 0 107 1,-0.3 -11,-0.1 -2,-0.1 -12,-0.0 0.810 118.7 62.6 -49.2 -34.1 16.4 7.8 5.2 41 40 A Q T 3 S+ 0 0 170 2,-0.1 2,-0.4 0, 0.0 -1,-0.3 0.626 89.5 82.2 -74.5 -12.2 20.1 7.1 5.8 42 41 A Q S < S- 0 0 8 -3,-1.9 2,-0.4 30,-0.0 28,-0.0 -0.792 74.3-136.7 -96.2 136.8 19.5 3.6 7.3 43 42 A R - 0 0 94 -2,-0.4 28,-0.4 1,-0.0 9,-0.1 -0.713 18.0-123.8 -90.1 137.1 18.9 0.6 5.2 44 43 A L - 0 0 0 -2,-0.4 7,-2.9 7,-0.3 2,-0.4 -0.380 25.1-134.8 -66.6 158.4 16.2 -1.9 6.0 45 44 A I E +CD 50 69A 21 24,-2.5 24,-2.4 5,-0.2 2,-0.3 -0.949 24.9 173.0-120.6 136.2 17.2 -5.6 6.5 46 45 A F E > S-C 49 0A 35 3,-2.3 3,-1.9 -2,-0.4 22,-0.1 -0.949 71.9 -19.0-142.1 121.7 15.5 -8.7 5.1 47 46 A A T 3 S- 0 0 79 -2,-0.3 3,-0.1 20,-0.3 21,-0.1 0.864 128.1 -46.7 50.8 47.6 17.0 -12.3 5.4 48 47 A G T 3 S+ 0 0 76 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.420 115.6 112.0 81.9 -1.2 20.5 -11.1 6.1 49 48 A K E < -C 46 0A 80 -3,-1.9 -3,-2.3 0, 0.0 2,-0.6 -0.905 65.1-134.9-108.7 136.9 20.6 -8.6 3.3 50 49 A Q E -C 45 0A 93 -2,-0.4 -5,-0.2 -5,-0.2 2,-0.1 -0.769 36.9-128.1 -82.9 117.0 20.8 -4.7 3.7 51 50 A L - 0 0 0 -7,-2.9 2,-0.3 -2,-0.6 -7,-0.3 -0.388 10.3-128.2 -78.0 139.2 18.2 -3.6 1.1 52 51 A E > - 0 0 87 -2,-0.1 3,-1.6 1,-0.1 -28,-0.4 -0.699 15.2-132.0 -88.8 140.7 18.9 -0.9 -1.5 53 52 A D T 3 S+ 0 0 53 -2,-0.3 -28,-2.4 1,-0.3 -27,-0.3 0.723 100.7 51.6 -64.8 -29.3 16.5 2.0 -1.7 54 53 A G T 3 S+ 0 0 70 -30,-0.2 -1,-0.3 -31,-0.1 2,-0.2 0.419 92.7 87.9 -94.2 -1.2 16.0 2.0 -5.5 55 54 A R S < S- 0 0 140 -3,-1.6 -31,-2.8 1,-0.1 -30,-0.4 -0.490 75.3-121.8 -86.3 168.8 15.1 -1.7 -5.8 56 55 A T B > -E 23 0B 27 -33,-0.3 4,-1.0 -2,-0.2 -33,-0.2 -0.614 23.3-108.4-103.2 165.4 11.5 -3.0 -5.4 57 56 A L T >4>S+ 0 0 0 -35,-2.0 5,-2.5 -37,-0.4 3,-0.8 0.908 122.4 55.3 -56.2 -40.4 10.1 -5.6 -2.9 58 57 A S G >45S+ 0 0 62 -38,-2.6 3,-1.4 1,-0.2 -1,-0.2 0.853 97.2 63.1 -64.2 -32.7 9.7 -8.0 -5.8 59 58 A D G 345S+ 0 0 93 -39,-0.3 -1,-0.2 1,-0.3 -2,-0.2 0.828 110.0 40.6 -59.5 -31.2 13.5 -7.5 -6.6 60 59 A Y G <<5S- 0 0 42 -4,-1.0 -1,-0.3 -3,-0.8 -2,-0.2 0.327 114.5-116.7 -99.0 6.0 14.2 -9.1 -3.2 61 60 A N T < 5 + 0 0 112 -3,-1.4 2,-0.6 -4,-0.3 -3,-0.2 0.818 53.2 167.7 61.6 33.0 11.4 -11.7 -3.5 62 61 A I < + 0 0 4 -5,-2.5 -1,-0.2 -6,-0.1 2,-0.2 -0.689 12.3 177.6 -81.6 115.9 9.7 -10.1 -0.5 63 62 A Q > - 0 0 106 -2,-0.6 3,-1.8 1,-0.2 -61,-0.1 -0.503 37.3 -49.4-116.2-176.7 6.3 -11.8 -0.5 64 63 A K T 3 S+ 0 0 137 1,-0.3 -1,-0.2 -2,-0.2 -60,-0.2 -0.248 123.3 17.4 -58.9 141.5 3.1 -11.7 1.7 65 64 A E T 3 S+ 0 0 125 -62,-3.5 -1,-0.3 1,-0.2 -61,-0.2 0.531 87.8 145.7 72.2 8.5 3.8 -12.1 5.4 66 65 A S < - 0 0 18 -3,-1.8 -61,-2.8 -63,-0.3 2,-0.5 -0.415 40.0-141.7 -63.6 152.0 7.5 -11.3 5.2 67 66 A T E -b 5 0A 57 -63,-0.2 -20,-0.3 -2,-0.1 2,-0.3 -0.988 14.6-169.6-120.5 125.6 9.1 -9.4 8.1 68 67 A L E -b 6 0A 0 -63,-2.8 -61,-2.4 -2,-0.5 2,-0.3 -0.730 9.3-163.1-100.3 160.6 11.7 -6.7 7.6 69 68 A H E -bD 7 45A 77 -24,-2.4 -24,-2.5 -2,-0.3 2,-0.2 -0.973 16.8-116.1-144.0 161.4 13.8 -5.2 10.4 70 69 A a E - 0 0 6 -63,-2.2 -26,-0.1 -2,-0.3 3,-0.0 -0.628 21.5-128.0 -92.2 156.5 16.0 -2.2 11.2 71 70 A V E S+ 0 0 72 -28,-0.4 2,-0.3 -2,-0.2 -1,-0.1 0.851 101.3 27.6 -70.1 -33.6 19.7 -2.4 12.1 72 71 A R E S- 0 0 137 -64,-0.0 2,-0.4 -3,-0.0 -1,-0.1 -0.932 82.5-135.4-125.5 146.0 18.9 -0.3 15.2 73 72 A R E - 0 0 126 -2,-0.3 2,-0.3 -4,-0.1 -64,-0.2 -0.888 11.7-133.9-106.3 134.8 15.6 -0.2 17.2 74 73 A L E -b 9 0A 69 -66,-2.3 -64,-2.7 -2,-0.4 -63,-0.3 -0.678 35.5-107.7 -76.8 137.9 14.1 3.0 18.4 75 74 A R S S+ 0 0 206 -2,-0.3 2,-0.3 -66,-0.2 -1,-0.1 -0.496 78.7 34.9 -70.3 132.8 12.9 2.6 22.1 76 75 A G 0 0 38 -2,-0.2 -65,-3.2 -64,-0.0 -64,-0.2 -0.892 360.0 360.0 129.9-162.5 9.1 2.4 22.5 77 76 A G 0 0 80 -2,-0.3 -65,-0.1 -66,-0.2 -67,-0.1 -0.922 360.0 360.0-175.7 360.0 5.9 1.1 20.9