==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-FEB-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTEIN BINDING 29-AUG-12 4GU2 . COMPND 2 MOLECULE: UBIQUITIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTAMOEBA HISTOLYTICA; . AUTHOR D.E.BOSCH,D.P.SIDEROVSKI . 68 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4382.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 49 72.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 3 4.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 15 22.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 1.5 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 1.5 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 . 8 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 8 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 11 16.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 2.9 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 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 0 PARALLEL BRIDGES PER LADDER . 1 1 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 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 1 A M 0 0 56 0, 0.0 13,-2.6 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 163.1 -39.5 4.6 -11.8 2 2 A Q E +A 13 0A 68 11,-0.2 59,-3.3 9,-0.0 60,-0.3 -0.856 360.0 170.9-107.0 130.1 -38.0 8.0 -12.8 3 3 A I E -A 12 0A 0 9,-2.5 9,-2.6 -2,-0.5 2,-0.3 -0.851 20.6-134.9-127.5 172.9 -34.6 9.2 -11.9 4 4 A F E -Ab 11 63A 38 58,-2.9 60,-2.8 -2,-0.3 2,-0.4 -0.853 4.6-155.2-130.2 152.1 -32.6 12.2 -13.1 5 5 A V E Ab 10 64A 2 5,-1.7 5,-2.5 -2,-0.3 60,-0.2 -0.980 360.0 360.0-132.2 121.9 -29.1 12.7 -14.1 6 6 A K 0 0 135 58,-2.9 60,-2.3 -2,-0.4 3,-0.2 -0.808 360.0 360.0 -99.4 360.0 -27.6 16.2 -13.8 7 ! 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 8 11 A K 0 0 215 0, 0.0 2,-0.2 0, 0.0 -3,-0.0 0.000 360.0 360.0 360.0 94.0 -29.1 20.4 -18.1 9 12 A T - 0 0 80 -3,-0.2 2,-0.3 -5,-0.0 -3,-0.2 -0.457 360.0-158.0 -79.9 139.5 -30.9 17.6 -16.3 10 13 A I E -A 5 0A 18 -5,-2.5 -5,-1.7 -2,-0.2 2,-0.5 -0.788 11.7-132.0-113.4 153.3 -32.1 14.5 -18.2 11 14 A T E -A 4 0A 60 -2,-0.3 2,-0.4 -7,-0.2 -7,-0.2 -0.909 21.3-175.1-106.9 130.4 -34.9 12.0 -17.2 12 15 A L E -A 3 0A 5 -9,-2.6 -9,-2.5 -2,-0.5 2,-0.6 -0.954 16.9-146.1-115.8 146.4 -34.2 8.3 -17.3 13 16 A E E +A 2 0A 154 -2,-0.4 2,-0.3 -11,-0.2 -11,-0.2 -0.963 34.9 167.3-111.6 120.5 -36.9 5.7 -16.6 14 17 A V - 0 0 0 -13,-2.6 -2,-0.0 -2,-0.6 9,-0.0 -0.819 40.2-112.8-133.2 156.7 -35.3 2.8 -15.0 15 18 A E > - 0 0 106 -2,-0.3 3,-2.6 1,-0.1 38,-0.3 -0.773 36.3-118.8 -86.3 144.2 -36.1 -0.4 -13.1 16 19 A P T 3 S+ 0 0 65 0, 0.0 38,-1.5 0, 0.0 42,-0.2 0.745 116.0 48.1 -50.5 -27.3 -34.9 -0.3 -9.5 17 20 A N T 3 S+ 0 0 106 36,-0.2 2,-0.1 37,-0.1 38,-0.0 0.294 79.3 129.1-104.4 8.9 -32.7 -3.2 -10.3 18 21 A D < - 0 0 40 -3,-2.6 35,-2.5 34,-0.1 36,-0.2 -0.382 61.1-113.9 -58.6 144.0 -31.1 -1.8 -13.5 19 22 A S B > -C 52 0B 35 33,-0.3 4,-1.8 1,-0.1 33,-0.3 -0.313 17.3-115.1 -77.0 157.2 -27.3 -2.0 -13.4 20 23 A I H > S+ 0 0 0 31,-3.2 4,-2.6 28,-0.4 5,-0.2 0.883 119.0 62.0 -60.1 -33.0 -25.0 1.0 -13.4 21 24 A D H > S+ 0 0 73 28,-1.8 4,-2.1 30,-0.4 -1,-0.2 0.920 103.7 48.7 -55.3 -42.9 -23.9 -0.3 -16.9 22 25 A A H > S+ 0 0 31 -3,-0.3 4,-1.9 27,-0.2 -1,-0.2 0.889 109.6 50.8 -66.5 -38.6 -27.5 0.2 -18.1 23 26 A I H X S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.941 110.3 50.0 -67.2 -39.6 -27.7 3.7 -16.6 24 27 A K H X S+ 0 0 17 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.897 107.9 53.4 -64.5 -36.4 -24.4 4.7 -18.3 25 28 A A H X S+ 0 0 40 -4,-2.1 4,-2.1 -5,-0.2 -1,-0.2 0.915 108.1 50.1 -63.5 -38.3 -25.7 3.4 -21.6 26 29 A K H X S+ 0 0 69 -4,-1.9 4,-1.5 1,-0.2 -2,-0.2 0.886 111.0 49.0 -68.9 -37.9 -28.8 5.5 -21.3 27 30 A I H X S+ 0 0 0 -4,-2.2 4,-3.4 2,-0.2 5,-0.4 0.903 108.7 54.0 -63.6 -39.1 -26.7 8.5 -20.6 28 31 A Q H X S+ 0 0 80 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.891 106.0 53.0 -62.0 -38.9 -24.5 7.6 -23.7 29 32 A E H < S+ 0 0 142 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.868 119.8 33.0 -64.9 -34.2 -27.6 7.6 -25.8 30 33 A K H < S+ 0 0 123 -4,-1.5 -2,-0.2 -5,-0.1 -1,-0.2 0.867 133.6 24.9 -89.9 -35.5 -28.6 11.1 -24.7 31 34 A E H < S- 0 0 88 -4,-3.4 -3,-0.2 -5,-0.2 -2,-0.2 0.522 92.0-126.9-111.2 -18.8 -25.2 12.7 -24.2 32 35 A G < + 0 0 51 -4,-2.0 -4,-0.2 -5,-0.4 -3,-0.1 0.403 60.5 140.0 82.3 2.8 -22.9 10.8 -26.4 33 36 A I - 0 0 17 -6,-0.4 -1,-0.2 1,-0.1 -2,-0.1 -0.625 56.2-120.4 -80.6 124.8 -20.4 10.1 -23.6 34 37 A P > - 0 0 71 0, 0.0 3,-2.8 0, 0.0 4,-0.2 -0.356 22.8-118.5 -64.5 143.9 -19.0 6.5 -23.7 35 38 A P G > S+ 0 0 46 0, 0.0 3,-2.1 0, 0.0 -2,-0.1 0.858 113.6 60.1 -53.1 -37.4 -19.8 4.6 -20.6 36 39 A D G 3 S+ 0 0 102 1,-0.3 -3,-0.0 3,-0.0 -12,-0.0 0.656 103.1 53.3 -65.2 -14.0 -16.1 4.3 -19.8 37 40 A Q G < S+ 0 0 86 -3,-2.8 32,-2.0 31,-0.1 2,-0.5 0.246 91.8 94.3-102.2 10.8 -15.8 8.0 -19.7 38 41 A Q E < -D 68 0C 4 -3,-2.1 2,-0.5 30,-0.2 30,-0.2 -0.912 50.5-170.1-108.5 132.7 -18.6 8.5 -17.2 39 42 A R E -D 67 0C 114 28,-2.6 28,-2.5 -2,-0.5 2,-0.4 -0.988 15.5-162.4-113.8 119.6 -18.1 8.8 -13.4 40 43 A L E -D 66 0C 0 -2,-0.5 7,-2.7 7,-0.4 2,-0.4 -0.922 6.8-171.9-110.6 134.6 -21.5 8.6 -11.7 41 44 A I E -DE 65 46C 29 24,-1.9 24,-2.6 -2,-0.4 2,-0.4 -0.974 11.6-178.4-127.8 139.5 -22.0 9.8 -8.1 42 45 A F E > S- E 0 45C 45 3,-2.8 3,-2.1 -2,-0.4 22,-0.1 -0.980 78.2 -17.8-134.9 123.2 -24.9 9.5 -5.8 43 46 A A T 3 S- 0 0 71 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.850 127.7 -52.1 54.8 38.9 -24.7 11.0 -2.3 44 47 A G T 3 S+ 0 0 75 1,-0.2 2,-0.5 0, 0.0 -1,-0.3 0.434 115.8 112.2 84.0 -1.3 -20.9 11.2 -2.5 45 48 A K E < -E 42 0C 117 -3,-2.1 -3,-2.8 11,-0.1 2,-0.3 -0.889 67.5-127.3-109.6 131.8 -20.4 7.6 -3.4 46 49 A Q E -E 41 0C 104 -2,-0.5 2,-0.5 -5,-0.2 -5,-0.2 -0.624 25.9-127.7 -80.1 134.7 -19.2 6.6 -6.8 47 50 A L - 0 0 6 -7,-2.7 -7,-0.4 -2,-0.3 2,-0.2 -0.749 22.1-142.5 -93.8 122.9 -21.5 4.1 -8.5 48 51 A E - 0 0 115 -2,-0.5 -28,-0.4 4,-0.1 3,-0.3 -0.508 13.6-117.2 -91.9 160.5 -19.9 0.9 -9.8 49 52 A E S S+ 0 0 83 1,-0.3 -28,-1.8 -2,-0.2 -29,-0.4 0.836 102.8 39.9 -72.5 -52.5 -20.7 -1.1 -13.0 50 53 A G S S+ 0 0 66 -30,-0.2 -1,-0.3 -31,-0.1 2,-0.0 0.662 101.7 90.1 -73.0 -16.3 -21.9 -4.5 -12.2 51 54 A K S S- 0 0 80 -3,-0.3 -31,-3.2 -32,-0.1 -30,-0.4 -0.322 71.9-129.1 -82.2 171.8 -24.0 -3.2 -9.3 52 55 A T B >> -C 19 0B 26 -33,-0.3 4,-0.8 -32,-0.1 3,-0.6 -0.690 23.1-108.4-114.5 167.6 -27.6 -2.0 -9.6 53 56 A L G >4>S+ 0 0 0 -35,-2.5 5,-2.2 -38,-0.3 3,-1.2 0.903 120.7 56.9 -57.5 -42.0 -29.5 1.1 -8.5 54 57 A S G >45S+ 0 0 66 -38,-1.5 3,-1.0 1,-0.3 -1,-0.2 0.799 97.2 62.1 -63.5 -31.0 -31.2 -1.0 -5.8 55 58 A D G <45S+ 0 0 97 -3,-0.6 -1,-0.3 1,-0.2 -2,-0.2 0.760 109.4 42.0 -59.7 -27.6 -27.7 -1.9 -4.4 56 59 A Y G <<5S- 0 0 29 -3,-1.2 -1,-0.2 -4,-0.8 -2,-0.2 0.262 113.9-117.9-103.0 6.9 -27.2 1.8 -3.7 57 60 A N T < 5 + 0 0 116 -3,-1.0 2,-0.8 1,-0.2 -3,-0.2 0.841 53.9 166.2 57.3 35.5 -30.7 2.4 -2.4 58 61 A I < + 0 0 4 -5,-2.2 -1,-0.2 -42,-0.2 2,-0.1 -0.729 11.2 176.4 -83.4 115.7 -31.4 4.8 -5.2 59 62 A Q > - 0 0 127 -2,-0.8 3,-1.6 1,-0.2 -5,-0.0 -0.453 36.6 -40.6-112.2-174.4 -35.1 5.4 -5.4 60 63 A K T 3 S+ 0 0 127 1,-0.2 -1,-0.2 -2,-0.1 -57,-0.2 -0.022 121.0 13.8 -45.7 138.9 -37.5 7.5 -7.4 61 64 A E T 3 S+ 0 0 81 -59,-3.3 -1,-0.2 1,-0.2 -58,-0.2 0.506 85.4 150.4 74.0 8.2 -36.5 11.1 -8.1 62 65 A S < - 0 0 19 -3,-1.6 -58,-2.9 -60,-0.3 2,-0.6 -0.386 39.5-140.0 -66.8 151.9 -32.9 10.7 -7.2 63 66 A T E -b 4 0A 53 -60,-0.2 2,-0.3 -3,-0.1 -58,-0.2 -0.937 11.6-159.0-119.2 113.8 -30.5 12.8 -9.0 64 67 A L E -b 5 0A 0 -60,-2.8 -58,-2.9 -2,-0.6 2,-0.6 -0.666 16.8-131.8 -85.3 151.5 -27.2 11.2 -10.0 65 68 A H E -D 41 0C 99 -24,-2.6 -24,-1.9 -2,-0.3 2,-0.6 -0.886 16.9-148.6-112.3 125.7 -24.4 13.6 -10.7 66 69 A L E +D 40 0C 31 -60,-2.3 2,-0.3 -2,-0.6 -26,-0.2 -0.841 17.7 176.3-100.6 123.6 -22.5 13.1 -13.8 67 70 A V E -D 39 0C 62 -28,-2.5 -28,-2.6 -2,-0.6 2,-0.3 -0.975 28.0-123.5-119.4 142.4 -18.8 13.9 -14.2 68 71 A L E D 38 0C 105 -2,-0.3 -30,-0.2 -30,-0.2 -31,-0.1 -0.646 360.0 360.0 -82.8 142.7 -16.5 13.3 -17.2 69 72 A R 0 0 212 -32,-2.0 -1,-0.0 -2,-0.3 -33,-0.0 -0.658 360.0 360.0 -98.7 360.0 -13.4 11.2 -16.6